| 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 | 41.9 | Very low | 45.5 | Very low | 251 Ų | 251 | 161.8 Ų | 161.8 | 100% | 1.236 | 80% | 0.804 | S | S | * | * | 0 | 112.4 | 0 | -159.4 | 157.8 | 73.2 | 0 | 0 | 107.3 | |||||
| 2 | K | 42.5 | Very low | 46 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 137.5 | -173.4 | -86.6 | 178.6 | 173.7 | 177.7 | 0 | 109.9 | ||||
| 3 | I | 36.1 | Very low | 46.3 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | trans | 65.9 | 114.3 | 141.2 | -66.5 | 163.2 | 0 | 0 | 0 | 117.7 | ||||
| 4 | F | 42.9 | Very low | 46 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | 178.8 | 106.8 | 106.3 | -101.8 | -72.5 | 0 | 0 | 0 | 108.9 | L6 | F4-L6 PolarHBondContact O-N 3.1Š| |||
| 5 | V | 47.4 | Very low | 46 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -79.2 | 103.1 | 167.4 | 175.4 | 0 | 0 | 0 | 0 | 106.4 | L7 | V5-L7 PolarHBondContact O-N 3.41Š| ||
| 6 | L | 45.8 | Very low | 46 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -73.8 | 101.6 | 173.9 | -133.7 | 91.5 | 0 | 0 | 0 | 107.9 | F4 L8 | F4-L6 PolarHBondContact O-N 3.1Å; L6-L8 PolarHBondContact O-N 3.18Å; L6-L8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | L | 47.8 | Very low | 45.9 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -75.3 | 94 | 173.6 | -145.8 | 100.8 | 0 | 0 | 0 | 108 | V5 L9 | V5-L7 PolarHBondContact O-N 3.41Å; L7-L9 PolarHBondContact O-N 3.06Å | ||
| 8 | L | 47.4 | Very low | 45.9 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -68.6 | 94.6 | 171.7 | -88.5 | 148.6 | 0 | 0 | 0 | 109 | L6 F10 | L6-L8 PolarHBondContact O-N 3.18Å; L6-L8 VanDerWaalsContact O-N 3.09Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.14Å | ||
| 9 | L | 49 | Very low | 45.7 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -65.2 | 93.5 | 164.3 | -85.6 | 145.2 | 0 | 0 | 0 | 108.4 | L7 I11 | L7-L9 PolarHBondContact O-N 3.06Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.25Å | ||
| 10 | F | 49.2 | Very low | 45.7 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 77% | 0.772 | 77% | 0.771 | S | S | * | * | trans | -65.8 | 96.9 | 162.6 | -90.9 | -90.7 | 0 | 0 | 0 | 107.9 | L8 V12 | L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.14Å; F10-V12 PolarHBondContact O-N 3.2Å | ||
| 11 | I | 50.6 | Low | 46.2 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -66.9 | 95.1 | 161.6 | -61.9 | 170.2 | 0 | 0 | 0 | 105.3 | L9 S13 | L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.25Å; I11-S13 PolarHBondContact O-N 3.4Å | ||
| 12 | V | 51.4 | Low | 47.3 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -66.5 | 90.1 | 164.9 | 178.9 | 0 | 0 | 0 | 0 | 105.5 | F10 C14 | F10-V12 PolarHBondContact O-N 3.2Å; V12-C14 PolarHBondContact O-N 2.86Å | ||
| 13 | S | 50.4 | Low | 49.2 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 52% | 0.517 | 71% | 0.706 | S | S | . | * | trans | -63 | 94.1 | 158.6 | -89.1 | 0 | 0 | 0 | 0 | 106.1 | I11 Y15 | I11-S13 PolarHBondContact O-N 3.4Å; S13-Y15 PolarHBondContact O-N 3.21Å | ||
| 14 | C | 42.2 | Very low | 51.8 | Low | 104 Ų | 104 | 124.9 Ų | 124.9 | 70% | 0.703 | 68% | 0.676 | S | S | * | * | trans | -60.1 | 87.5 | 154.3 | -79.1 | 0 | 0 | 0 | 0 | 106.2 | V12 V16 | V12-C14 PolarHBondContact O-N 2.86Å; C14-V16 HydrophobicContact CB-CG2 4.48Å; C14-V16 PolarHBondContact O-N 3.33Å | ||
| 15 | Y | 46.1 | Very low | 54.3 | Low | 203 Ų | 203 | 118.4 Ų | 118.4 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | trans | -63 | 88.5 | 151.3 | -67.3 | -83.2 | 0 | 0 | 0 | 104.6 | S13 E17 | S13-Y15 PolarHBondContact O-N 3.21Å; Y15-E17 PolarHBondContact O-N 3.38Å | ||
| 16 | V | 46.2 | Very low | 56.7 | Low | 121 Ų | 121 | 112.1 Ų | 112.1 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | trans | -61.1 | 106.2 | 156.3 | -174.7 | 0 | 0 | 0 | 0 | 102.3 | C14 Q18 | C14-V16 HydrophobicContact CB-CG2 4.48Å; C14-V16 PolarHBondContact O-N 3.33Å; V16-Q18 PolarHBondContact O-N 3.17Å | ||
| 17 | E | 43.9 | Very low | 59 | Low | 172 Ų | 172 | 106.4 Ų | 106.4 | 80% | 0.804 | 58% | 0.58 | S | S | * | * | trans | -54.7 | 98.1 | 160.4 | -72.9 | -178.7 | 173.9 | 0 | 0 | 104.4 | Y15 T19 | Y15-E17 PolarHBondContact O-N 3.38Å; E17-T19 PolarHBondContact O-N 3.09Å | ||
| 18 | Q | 45 | Very low | 61.3 | Low | 170 Ų | 170 | 102.7 Ų | 102.7 | 79% | 0.794 | 56% | 0.557 | S | S | * | * | trans | -65.7 | 91.9 | 168.1 | -169.4 | 164.4 | 13.5 | 0 | 0 | 102.7 | V16 D20 | V16-Q18 PolarHBondContact O-N 3.17Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 2.73Å | ||
| 19 | T | 43.4 | Very low | 63.5 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 72% | 0.724 | 53% | 0.533 | S | S | * | . | trans | -54.6 | 108.7 | 167.2 | 50.6 | 0 | 0 | 0 | 0 | 103.7 | E17 A21 | E17-T19 PolarHBondContact O-N 3.09Å; T19-A21 PolarHBondContact O-N 3.49Å | ||
| 20 | D | 45.6 | Very low | 65.6 | Low | 153 Ų | 153 | 96.7 Ų | 96.7 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | trans | -48.5 | 109.1 | 172.1 | -81 | -38.7 | 0 | 0 | 0 | 106 | Q18 A22 | Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 2.73Å; D20-A22 PolarHBondContact O-N 3.46Å | ||
| 21 | A | 55 | Low | 67.5 | Low | 73 Ų | 73 | 89.8 Ų | 89.8 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 122.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | T19 A23 | T19-A21 PolarHBondContact O-N 3.49Å; A21-A23 PolarHBondContact O-N 2.95Å |
| 22 | A | 64.6 | Low | 69.6 | Low | 73 Ų | 73 | 86.1 Ų | 86.1 | 60% | 0.603 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 133.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | D20 L24 | D20-A22 PolarHBondContact O-N 3.46Å; A22-L24 PolarHBondContact O-N 2.96Å |
| 23 | A | 82.6 | Confident | 71.6 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 26% | 0.256 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 132.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A21 Q25 | A21-A23 PolarHBondContact O-N 2.95Å; A23-Q25 VanDerWaalsContact C-N 3.33Å; A23-Q25 HydrophobicContact CB-CG 3.99Å; A23-Q25 PolarHBondContact O-N 3.44Å |
| 24 | L | 92.2 | Very high | 73.8 | Confident | 9 Ų | 9 | 81 Ų | 81 | 5% | 0.047 | 45% | 0.453 | C | S | . | . | trans | -76.1 | 86.7 | -178.6 | -172.4 | 67.5 | 0 | 0 | 0 | 109.6 | A22 F80 Y89 T118 N121 G122 W123 | A22-L24 PolarHBondContact O-N 2.96Å; L24-F80 HydrophobicContact CD1-CE2 4.04Å; L24-F80 HydrophobicContact CD1-CZ 4.21Å; L24-F80 HydrophobicContact CD2-CZ 3.95Å; L24-Y89 HydrophobicContact CB-CE1 4.48Å; L24-Y89 HydrophobicContact CD1-CD1 4.46Å; L24-Y89 HydrophobicContact CD1-CE1 4Å; L24-Y89 HydrophobicContact CD2-CD1 3.83Å; L24-Y89 HydrophobicContact CD2-CE1 3.97Å; L24-Y89 HydrophobicContact CG-CE1 4.37Å; L24-T118 HydrophobicContact CB-CG2 4.26Å; L24-T118 HydrophobicContact CD2-CG2 3.95Å; L24-N121 HydrophobicContact CB-CB 4.03Å; L24-G122 CarbonylContact O-C 3.55Å; L24-G122 WeakPolarHBondContact O-CA 3.35Å; L24-G122 PolarHBondContact O-N 2.87Å; L24-W123 VanDerWaalsContact CD1-NE1 3.3Å | ||
| 25 | Q | 95.1 | Very high | 76.4 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | trans | -136 | 163.5 | -174.9 | -57.8 | -170.5 | -37.1 | 0 | 0 | 110.6 | A23 D33 L76 T155 | A23-Q25 VanDerWaalsContact C-N 3.33Å; A23-Q25 HydrophobicContact CB-CG 3.99Å; A23-Q25 PolarHBondContact O-N 3.44Å; Q25-D33 HydrophobicContact CB-CB 4.47Å; Q25-D33 PolarHBondContact OE1-OD2 2.03Å; Q25-L76 WeakPolarHBondContact O-CD1 3.44Å; Q25-T155 HydrophobicContact CB-CG2 3.78Å; Q25-T155 HydrophobicContact CG-CG2 3.63Å | ||
| 26 | C | 97 | Very high | 78.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 147.8 | 167.5 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | I34 V37 C153 I154 T155 | C26-I34 HydrophobicContact CB-CG2 3.82Å; C26-I34 WeakPolarHBondContact CB-O 3.38Å; C26-I34 PolarHBondContact O-N 2.8Å; C26-V37 HydrophobicContact CB-CG1 4.31Å; C26-C153 HydrophobicContact CB-CB 3.9Å; C26-C153 WeakPolarHBondContact CB-SG 3.29Å; C26-C153 WeakPolarHBondContact SG-CB 3.48Å; C26-C153 CovalentContact SG-SG 2.03Å; C26-C153 PolarHBondContact SG-SG 3.24Å; C26-I154 PolarHBondContact SG-N 3.3Å; C26-T155 WeakPolarHBondContact CB-OG1 2.84Å; C26-T155 PolarHBondContact N-OG1 3Å; C26-T155 PolarHBondContact SG-N 3.36Å; C26-T155 PolarHBondContact SG-OG1 2.85Å |
| 27 | K | 95.3 | Very high | 81.3 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 10% | 0.1 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.6 | -174.4 | -56.1 | -65.6 | -169.9 | 165.4 | 0 | 112.1 | G31 T32 D33 Y39 S72 | K27-G31 WeakPolarHBondContact CD-O 3.3Å; K27-T32 CarbonylContact C-O 3.44Å; K27-T32 WeakPolarHBondContact CA-O 3.33Å; K27-D33 VanDerWaalsContact CD-OD1 3.31Å; K27-D33 WeakPolarHBondContact CD-OD1 3.02Å; K27-D33 WeakPolarHBondContact CE-OD1 2.95Å; K27-D33 IonicContact NZ-OD1 2.62Å; K27-D33 PolarHBondContact NZ-OD1 3.44Å; K27-D33 IonicContact NZ-OD2 3.86Å; K27-Y39 PolarHBondContact O-OH 3.23Å; K27-S72 WeakPolarHBondContact O-CB 3.33Å |
| 28 | K | 95.4 | Very high | 83.9 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | trans | -73.5 | 169.7 | 158.9 | -68.1 | -175.3 | -177.4 | 179.2 | 0 | 110.5 | D30 G31 T32 I34 Y52 S72 | K28-D30 VanDerWaalsContact CB-OD1 3.29Å; K28-D30 WeakPolarHBondContact CB-OD1 3.11Å; K28-D30 PolarHBondContact O-N 3.49Å; K28-G31 PolarHBondContact O-N 3.41Å; K28-G31 VanDerWaalsContact O-N 3.07Å; K28-T32 PolarHBondContact N-O 2.93Å; K28-I34 HydrophobicContact CD-CD1 4.44Å; K28-I34 HydrophobicContact CG-CB 4.24Å; K28-I34 HydrophobicContact CG-CD1 3.95Å; K28-Y52 HydrophobicContact CB-CE1 4.31Å; K28-Y52 HydrophobicContact CB-CE2 4.48Å; K28-Y52 HydrophobicContact CD-CD2 4.41Å; K28-Y52 HydrophobicContact CG-CD1 4.17Å; K28-Y52 HydrophobicContact CG-CD2 4.32Å; K28-Y52 HydrophobicContact CG-CE1 4.09Å; K28-Y52 HydrophobicContact CG-CE2 4.26Å; K28-Y52 HydrophobicContact CG-CG 4.31Å; K28-S72 WeakPolarHBondContact O-CA 3.4Å | ||
| 29 | D | 94.1 | Very high | 86.4 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.9 | 178.6 | -156 | 53.6 | 0 | 0 | 0 | 113.9 | G31 Y52 L64 K68 G71 S72 | D29-G31 VanDerWaalsContact C-N 3.33Å; D29-Y52 PolarHBondContact N-OH 3.17Å; D29-L64 HydrophobicContact CB-CG 4.32Å; D29-K68 IonicContact OD2-NZ 2.82Å; D29-K68 PolarHBondContact OD2-NZ 3.27Å; D29-G71 WeakPolarHBondContact OD1-CA 3.47Å; D29-S72 PolarHBondContact OD1-N 2.87Å |
| 30 | D | 92 | Very high | 89.1 | Confident | 117 Ų | 117 | 39.6 Ų | 39.6 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.5 | 175.1 | 64.2 | 11 | 0 | 0 | 0 | 113.7 | K28 T32 | K28-D30 VanDerWaalsContact CB-OD1 3.29Å; K28-D30 WeakPolarHBondContact CB-OD1 3.11Å; K28-D30 PolarHBondContact O-N 3.49Å; D30-T32 VanDerWaalsContact CG-OG1 3.25Å; D30-T32 WeakPolarHBondContact OD1-CB 3.36Å; D30-T32 PolarHBondContact OD1-N 3.09Å; D30-T32 PolarHBondContact OD1-OG1 2.6Å; D30-T32 PolarHBondContact OD2-OG1 3.39Å |
| 31 | G | 90.1 | Very high | 91.6 | Very high | 30 Ų | 30 | 32.3 Ų | 32.3 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 85.4 | -0.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K27 K28 D29 | K27-G31 WeakPolarHBondContact CD-O 3.3Å; K28-G31 PolarHBondContact O-N 3.41Å; K28-G31 VanDerWaalsContact O-N 3.07Å; D29-G31 VanDerWaalsContact C-N 3.33Å |
| 32 | T | 93.1 | Very high | 93.6 | Very high | 72 Ų | 72 | 29.8 Ų | 29.8 | 44% | 0.442 | 18% | 0.178 | S | C | . | . | trans | -69.4 | 138.6 | 176.3 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | K27 K28 D30 | K27-T32 CarbonylContact C-O 3.44Å; K27-T32 WeakPolarHBondContact CA-O 3.33Å; K28-T32 PolarHBondContact N-O 2.93Å; D30-T32 VanDerWaalsContact CG-OG1 3.25Å; D30-T32 WeakPolarHBondContact OD1-CB 3.36Å; D30-T32 PolarHBondContact OD1-N 3.09Å; D30-T32 PolarHBondContact OD1-OG1 2.6Å; D30-T32 PolarHBondContact OD2-OG1 3.39Å | ||
| 33 | D | 94.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 27.2 Ų | 27.2 | 35% | 0.353 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 140.9 | 173.5 | -71.2 | -38.1 | 0 | 0 | 0 | 112.7 | Q25 K27 | Q25-D33 HydrophobicContact CB-CB 4.47Å; Q25-D33 PolarHBondContact OE1-OD2 2.03Å; K27-D33 VanDerWaalsContact CD-OD1 3.31Å; K27-D33 WeakPolarHBondContact CD-OD1 3.02Å; K27-D33 WeakPolarHBondContact CE-OD1 2.95Å; K27-D33 IonicContact NZ-OD1 2.62Å; K27-D33 PolarHBondContact NZ-OD1 3.44Å; K27-D33 IonicContact NZ-OD2 3.86Å |
| 34 | I | 95.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.7 | 177.1 | -160.9 | 168.2 | 0 | 0 | 0 | 111.4 | C26 K28 W36 V37 Y52 A53 T155 | C26-I34 HydrophobicContact CB-CG2 3.82Å; C26-I34 WeakPolarHBondContact CB-O 3.38Å; C26-I34 PolarHBondContact O-N 2.8Å; K28-I34 HydrophobicContact CD-CD1 4.44Å; K28-I34 HydrophobicContact CG-CB 4.24Å; K28-I34 HydrophobicContact CG-CD1 3.95Å; I34-W36 WeakPolarHBondContact CD1-O 3.44Å; I34-V37 HydrophobicContact CG2-CB 4.42Å; I34-V37 HydrophobicContact CG2-CG1 4.23Å; I34-Y52 HydrophobicContact CD1-CD1 3.86Å; I34-Y52 HydrophobicContact CD1-CG 3.89Å; I34-A53 HydrophobicContact CD1-CB 3.96Å; I34-A53 VanDerWaalsContact CD1-N 3.31Å; I34-A53 HydrophobicContact CG1-CB 3.78Å; I34-T155 PolarHBondContact O-OG1 3.1Å |
| 35 | S | 96.7 | Very high | 96.1 | Very high | 14 Ų | 14 | 31.8 Ų | 31.8 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -74.4 | -35 | -178.4 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | A53 T155 V218 G219 | S35-A53 VanDerWaalsContact OG-CB 3.26Å; S35-A53 WeakPolarHBondContact OG-CB 3.33Å; S35-T155 WeakPolarHBondContact O-CB 3.23Å; S35-T155 PolarHBondContact O-N 3.42Å; S35-V218 WeakPolarHBondContact O-CG1 3.42Å; S35-G219 WeakPolarHBondContact CB-O 3.42Å; S35-G219 PolarHBondContact OG-O 3.07Å |
| 36 | W | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 160.5 | 171.8 | 55.6 | -94.4 | 0 | 0 | 0 | 111.6 | I34 I38 I51 A53 P57 C153 I154 T224 M331 H333 V336 | I34-W36 WeakPolarHBondContact CD1-O 3.44Å; W36-I38 HydrophobicContact CE3-CG1 4.38Å; W36-I38 HydrophobicContact CZ3-CD1 4.35Å; W36-I38 HydrophobicContact CZ3-CG1 4.33Å; W36-I51 HydrophobicContact CH2-CG2 4.31Å; W36-I51 HydrophobicContact CZ3-CG2 4.07Å; W36-A53 HydrophobicContact CD2-CB 3.6Å; W36-A53 HydrophobicContact CE3-CB 4.22Å; W36-A53 HydrophobicContact CG-CB 3.84Å; W36-A53 HydrophobicContact CH2-CB 4.4Å; W36-A53 HydrophobicContact CZ2-CB 3.83Å; W36-A53 WeakPolarHBondContact O-CB 3.28Å; W36-A53 PolarHBondContact O-N 2.97Å; W36-A53 VanDerWaalsContact O-N 3.1Å; W36-P57 HydrophobicContact CH2-CB 3.77Å; W36-P57 HydrophobicContact CH2-CG 3.99Å; W36-P57 HydrophobicContact CZ2-CB 4.46Å; W36-P57 HydrophobicContact CZ2-CG 4.36Å; W36-C153 CarbonylContact C-O 3.54Å; W36-C153 WeakPolarHBondContact CA-O 3.46Å; W36-C153 WeakPolarHBondContact CB-O 3.45Å; W36-I154 HydrophobicContact CB-CD1 3.6Å; W36-I154 HydrophobicContact CG-CD1 4.48Å; W36-T224 PolarHBondContact NE1-OG1 3.13Å; W36-T224 VanDerWaalsContact NE1-OG1 3.11Å; W36-M331 HydrophobicContact CD2-SD 4.43Å; W36-M331 HydrophobicContact CE3-CE 4.22Å; W36-M331 HydrophobicContact CE3-SD 4.47Å; W36-M331 HydrophobicContact CZ3-CE 4.41Å; W36-H333 AromaticContact CZ2-CD2 3.63Å; W36-H333 AromaticContact CZ2-NE2 3.9Å; W36-V336 HydrophobicContact CH2-CG2 3.73Å; W36-V336 HydrophobicContact CZ3-CG2 4.22Å |
| 37 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 141 | 175.8 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | C26 I34 Y39 I51 Y52 V152 C153 | C26-V37 HydrophobicContact CB-CG1 4.31Å; I34-V37 HydrophobicContact CG2-CB 4.42Å; I34-V37 HydrophobicContact CG2-CG1 4.23Å; V37-Y39 HydrophobicContact CB-CE2 4.23Å; V37-Y39 HydrophobicContact CG1-CE2 3.54Å; V37-Y39 WeakPolarHBondContact CG1-OH 3.25Å; V37-Y39 HydrophobicContact CG2-CD1 4.22Å; V37-Y39 HydrophobicContact CG2-CD2 4.24Å; V37-Y39 HydrophobicContact CG2-CE1 3.7Å; V37-Y39 HydrophobicContact CG2-CE2 3.74Å; V37-Y39 HydrophobicContact CG2-CG 4.47Å; V37-Y39 VanDerWaalsContact CG2-CZ 3.44Å; V37-I51 WeakPolarHBondContact CA-O 3.49Å; V37-Y52 HydrophobicContact CB-CD1 3.98Å; V37-Y52 HydrophobicContact CB-CE1 4.44Å; V37-Y52 HydrophobicContact CG2-CD1 3.51Å; V37-Y52 HydrophobicContact CG2-CE1 3.69Å; V37-V152 WeakPolarHBondContact O-CA 3.28Å; V37-C153 HydrophobicContact CG1-CB 3.72Å; V37-C153 PolarHBondContact N-O 3.09Å; V37-C153 PolarHBondContact O-N 2.84Å |
| 38 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.7 | 174.1 | -51.9 | 168.9 | 0 | 0 | 0 | 108.1 | W36 A50 I51 L150 V152 F310 M331 V336 | W36-I38 HydrophobicContact CE3-CG1 4.38Å; W36-I38 HydrophobicContact CZ3-CD1 4.35Å; W36-I38 HydrophobicContact CZ3-CG1 4.33Å; I38-A50 CarbonylContact O-C 3.56Å; I38-A50 VanDerWaalsContact O-CA 3.25Å; I38-A50 WeakPolarHBondContact O-CA 3.45Å; I38-I51 HydrophobicContact CB-CB 4.31Å; I38-I51 HydrophobicContact CD1-CB 4.48Å; I38-I51 HydrophobicContact CD1-CD1 4.26Å; I38-I51 PolarHBondContact N-O 3.3Å; I38-I51 PolarHBondContact O-N 3.31Å; I38-L150 HydrophobicContact CG2-CD2 3.84Å; I38-V152 HydrophobicContact CG1-CG1 4.43Å; I38-V152 HydrophobicContact CG1-CG2 4.37Å; I38-V152 HydrophobicContact CG2-CG2 4.28Å; I38-F310 HydrophobicContact CD1-CD1 3.93Å; I38-F310 HydrophobicContact CD1-CE1 3.84Å; I38-F310 HydrophobicContact CG2-CE1 4.35Å; I38-M331 HydrophobicContact CD1-CE 3.28Å; I38-M331 HydrophobicContact CG1-CE 3.6Å; I38-V336 HydrophobicContact CD1-CG1 3.42Å; I38-V336 VanDerWaalsContact CD1-CG1 3.42Å; I38-V336 HydrophobicContact CD1-CG2 4.42Å |
| 39 | Y | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.8 | 171.7 | -47.9 | -91.9 | 0 | 0 | 0 | 109 | K27 V37 A48 A50 L64 L66 S72 I73 L150 I151 | K27-Y39 PolarHBondContact O-OH 3.23Å; V37-Y39 HydrophobicContact CB-CE2 4.23Å; V37-Y39 HydrophobicContact CG1-CE2 3.54Å; V37-Y39 WeakPolarHBondContact CG1-OH 3.25Å; V37-Y39 HydrophobicContact CG2-CD1 4.22Å; V37-Y39 HydrophobicContact CG2-CD2 4.24Å; V37-Y39 HydrophobicContact CG2-CE1 3.7Å; V37-Y39 HydrophobicContact CG2-CE2 3.74Å; V37-Y39 HydrophobicContact CG2-CG 4.47Å; V37-Y39 VanDerWaalsContact CG2-CZ 3.44Å; Y39-A48 HydrophobicContact CD1-CB 4.47Å; Y39-A50 HydrophobicContact CD1-CB 4.34Å; Y39-L64 HydrophobicContact CD1-CD2 4.03Å; Y39-L64 HydrophobicContact CE1-CD2 3.67Å; Y39-L66 HydrophobicContact CD1-CD2 4.28Å; Y39-S72 WeakPolarHBondContact CE1-OG 3.2Å; Y39-S72 VanDerWaalsContact OH-CB 3.32Å; Y39-S72 WeakPolarHBondContact OH-CB 3.47Å; Y39-S72 PolarHBondContact OH-OG 2.85Å; Y39-I73 HydrophobicContact CD1-CD1 4.45Å; Y39-I73 HydrophobicContact CD2-CD1 4.19Å; Y39-I73 HydrophobicContact CE1-CD1 4.48Å; Y39-I73 HydrophobicContact CE1-CG1 4.19Å; Y39-I73 HydrophobicContact CE2-CD1 4.21Å; Y39-I73 HydrophobicContact CE2-CG1 4.03Å; Y39-I73 HydrophobicContact CG-CD1 4.3Å; Y39-L150 CarbonylContact O-C 3.51Å; Y39-L150 WeakPolarHBondContact O-CA 3.19Å; Y39-I151 HydrophobicContact CD2-CB 3.95Å; Y39-I151 HydrophobicContact CD2-CG2 4.03Å; Y39-I151 WeakPolarHBondContact CD2-O 3.27Å; Y39-I151 PolarHBondContact N-O 3.21Å; Y39-I151 PolarHBondContact O-N 3.27Å |
| 40 | Y | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 101 | 164.5 | -172.4 | -81.5 | 0 | 0 | 0 | 108.1 | I42 A48 Q49 A148 L150 V284 V289 D294 | Y40-I42 PolarHBondContact O-N 3.45Å; Y40-A48 CarbonylContact O-C 3.53Å; Y40-A48 VanDerWaalsContact O-CA 3.25Å; Y40-A48 WeakPolarHBondContact O-CA 3.31Å; Y40-A48 WeakPolarHBondContact O-CB 3.23Å; Y40-Q49 PolarHBondContact N-O 2.72Å; Y40-Q49 PolarHBondContact O-N 3.02Å; Y40-A148 HydrophobicContact CE1-CB 3.84Å; Y40-L150 HydrophobicContact CD2-CD2 3.78Å; Y40-L150 HydrophobicContact CD2-CG 4.03Å; Y40-L150 HydrophobicContact CG-CD2 4.42Å; Y40-V284 HydrophobicContact CD1-CB 4.16Å; Y40-V284 HydrophobicContact CD1-CG1 3.78Å; Y40-V284 HydrophobicContact CD1-CG2 4.42Å; Y40-V284 HydrophobicContact CD2-CG1 4.14Å; Y40-V284 HydrophobicContact CD2-CG2 4.42Å; Y40-V284 HydrophobicContact CE1-CB 3.94Å; Y40-V284 HydrophobicContact CE1-CG1 4.05Å; Y40-V284 HydrophobicContact CE1-CG2 3.86Å; Y40-V284 HydrophobicContact CE2-CG1 4.4Å; Y40-V284 HydrophobicContact CE2-CG2 3.86Å; Y40-V284 HydrophobicContact CG-CG1 3.82Å; Y40-V289 HydrophobicContact CE1-CG2 4.14Å; Y40-D294 PolarHBondContact OH-OD2 3Å |
| 41 | Q | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 132.3 | 179.9 | -171.3 | -178.7 | -5.1 | 0 | 0 | 110 | T45 T47 L66 P144 A148 N149 | Q41-T45 PolarHBondContact NE2-O 3.12Å; Q41-T47 WeakPolarHBondContact CA-O 3.39Å; Q41-L66 HydrophobicContact CG-CD1 4.18Å; Q41-P144 PolarHBondContact NE2-O 2.84Å; Q41-A148 WeakPolarHBondContact O-CA 3.34Å; Q41-A148 VanDerWaalsContact O-CB 3.29Å; Q41-A148 WeakPolarHBondContact O-CB 3.28Å; Q41-N149 PolarHBondContact N-O 3.25Å; Q41-N149 PolarHBondContact OE1-ND2 2.74Å |
| 42 | I | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 23 Ų | 23 | 11% | 0.108 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 132.3 | 179.6 | -64.7 | 172.4 | 0 | 0 | 0 | 108.9 | Y40 T45 T47 Q49 P63 T287 | Y40-I42 PolarHBondContact O-N 3.45Å; I42-T45 WeakPolarHBondContact CB-OG1 3.21Å; I42-T45 HydrophobicContact CG2-CG2 4.13Å; I42-T45 PolarHBondContact O-N 2.92Å; I42-T45 PolarHBondContact O-OG1 2.76Å; I42-T47 PolarHBondContact N-O 3.34Å; I42-Q49 HydrophobicContact CD1-CG 4.19Å; I42-Q49 HydrophobicContact CG1-CG 4.24Å; I42-P63 HydrophobicContact CD1-CB 4.15Å; I42-P63 HydrophobicContact CD1-CG 4.25Å; I42-T287 HydrophobicContact CG2-CG2 4.18Å |
| 43 | P | 97.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 20.1 Ų | 20.1 | 12% | 0.123 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 144.1 | -179.3 | -22.6 | 30.4 | 0 | 0 | 0 | 113.1 | T45 A148 V289 Q293 | P43-T45 PolarHBondContact O-N 2.71Å; P43-T45 VanDerWaalsContact O-N 3.17Å; P43-A148 HydrophobicContact CG-CB 3.74Å; P43-V289 HydrophobicContact CG-CB 4.44Å; P43-V289 HydrophobicContact CG-CG1 3.79Å; P43-V289 HydrophobicContact CG-CG2 3.91Å; P43-Q293 HydrophobicContact CB-CB 4.38Å; P43-Q293 HydrophobicContact CG-CB 4.38Å |
| 44 | S | 97.1 | Very high | 97.6 | Very high | 91 Ų | 91 | 17.7 Ų | 17.7 | 64% | 0.636 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 16.7 | 178.6 | -52.3 | 0 | 0 | 0 | 0 | 114.8 | G146 | S44-G146 PolarHBondContact N-O 3.36Š|
| 45 | T | 97.3 | Very high | 97.3 | Very high | 45 Ų | 45 | 22.5 Ų | 22.5 | 28% | 0.276 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -134.9 | 166.8 | 179.9 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | Q41 I42 P43 T47 A145 | Q41-T45 PolarHBondContact NE2-O 3.12Å; I42-T45 WeakPolarHBondContact CB-OG1 3.21Å; I42-T45 HydrophobicContact CG2-CG2 4.13Å; I42-T45 PolarHBondContact O-N 2.92Å; I42-T45 PolarHBondContact O-OG1 2.76Å; P43-T45 PolarHBondContact O-N 2.71Å; P43-T45 VanDerWaalsContact O-N 3.17Å; T45-T47 PolarHBondContact OG1-N 3.47Å; T45-T47 PolarHBondContact OG1-OG1 3.44Å; T45-A145 WeakPolarHBondContact O-CA 3.32Å |
| 46 | Q | 97.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -105 | 36.5 | 167.5 | -55.8 | -173.7 | -80.4 | 0 | 0 | 110.4 | L66 T67 P143 A145 | Q46-L66 VanDerWaalsContact O-CB 3.27Å; Q46-L66 WeakPolarHBondContact O-CB 3.04Å; Q46-L66 WeakPolarHBondContact O-CG 3.48Å; Q46-L66 PolarHBondContact O-N 2.79Å; Q46-T67 HydrophobicContact CB-CG2 3.58Å; Q46-T67 HydrophobicContact CG-CG2 4.27Å; Q46-P143 PolarHBondContact NE2-O 2.94Å; Q46-A145 HydrophobicContact CG-CB 3.89Å |
| 47 | T | 98.1 | Very high | 97 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 156.5 | 174.4 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | Q41 I42 T45 L64 | Q41-T47 WeakPolarHBondContact CA-O 3.39Å; I42-T47 PolarHBondContact N-O 3.34Å; T45-T47 PolarHBondContact OG1-N 3.47Å; T45-T47 PolarHBondContact OG1-OG1 3.44Å; T47-L64 CarbonylContact C-O 3.59Å; T47-L64 WeakPolarHBondContact CA-O 3.42Å; T47-L64 WeakPolarHBondContact CB-O 3.49Å |
| 48 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y39 Y40 P63 L64 L66 | Y39-A48 HydrophobicContact CD1-CB 4.47Å; Y40-A48 CarbonylContact O-C 3.53Å; Y40-A48 VanDerWaalsContact O-CA 3.25Å; Y40-A48 WeakPolarHBondContact O-CA 3.31Å; Y40-A48 WeakPolarHBondContact O-CB 3.23Å; A48-P63 CarbonylContact O-C 3.53Å; A48-P63 VanDerWaalsContact O-CA 3.32Å; A48-P63 WeakPolarHBondContact O-CA 3.38Å; A48-L64 PolarHBondContact N-O 3.19Å; A48-L64 PolarHBondContact O-N 3.37Å; A48-L66 HydrophobicContact CB-CD1 4.08Å; A48-L66 HydrophobicContact CB-CD2 3.98Å; A48-L66 HydrophobicContact CB-CG 4.22Å |
| 49 | Q | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.5 | 158 | -56.4 | -63.1 | -7.3 | 0 | 0 | 107.7 | Y40 I42 W59 K285 D286 | Y40-Q49 PolarHBondContact N-O 2.72Å; Y40-Q49 PolarHBondContact O-N 3.02Å; I42-Q49 HydrophobicContact CD1-CG 4.19Å; I42-Q49 HydrophobicContact CG1-CG 4.24Å; Q49-W59 HydrophobicContact CB-CE3 3.64Å; Q49-W59 HydrophobicContact CB-CZ3 3.62Å; Q49-K285 VanDerWaalsContact CD-CD 3.42Å; Q49-K285 HydrophobicContact CG-CB 4.43Å; Q49-K285 HydrophobicContact CG-CD 4.28Å; Q49-D286 PolarHBondContact NE2-OD1 3.4Å |
| 50 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I38 Y39 W59 E60 L64 | I38-A50 CarbonylContact O-C 3.56Å; I38-A50 VanDerWaalsContact O-CA 3.25Å; I38-A50 WeakPolarHBondContact O-CA 3.45Å; Y39-A50 HydrophobicContact CD1-CB 4.34Å; A50-W59 WeakPolarHBondContact O-CA 3.4Å; A50-E60 HydrophobicContact CB-CG 4.01Å; A50-E60 PolarHBondContact O-N 2.82Å; A50-L64 HydrophobicContact CB-CD1 3.47Å; A50-L64 VanDerWaalsContact CB-CD1 3.47Å; A50-L64 HydrophobicContact CB-CD2 3.62Å; A50-L64 HydrophobicContact CB-CG 4.15Å |
| 51 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 113.8 | 167.8 | -58.1 | 163 | 0 | 0 | 0 | 106.5 | W36 V37 I38 P57 W59 V336 L339 F340 | W36-I51 HydrophobicContact CH2-CG2 4.31Å; W36-I51 HydrophobicContact CZ3-CG2 4.07Å; V37-I51 WeakPolarHBondContact CA-O 3.49Å; I38-I51 HydrophobicContact CB-CB 4.31Å; I38-I51 HydrophobicContact CD1-CB 4.48Å; I38-I51 HydrophobicContact CD1-CD1 4.26Å; I38-I51 PolarHBondContact N-O 3.3Å; I38-I51 PolarHBondContact O-N 3.31Å; I51-P57 HydrophobicContact CG2-CB 3.84Å; I51-W59 HydrophobicContact CD1-CD2 4.14Å; I51-W59 HydrophobicContact CD1-CE3 3.9Å; I51-W59 HydrophobicContact CD1-CH2 3.82Å; I51-W59 HydrophobicContact CD1-CZ2 4.04Å; I51-W59 HydrophobicContact CD1-CZ3 3.74Å; I51-W59 HydrophobicContact CG1-CD2 4Å; I51-W59 HydrophobicContact CG1-CE3 3.57Å; I51-W59 HydrophobicContact CG1-CH2 4.39Å; I51-W59 HydrophobicContact CG1-CZ3 3.8Å; I51-V336 HydrophobicContact CG2-CG2 4.29Å; I51-L339 HydrophobicContact CD1-CD1 3.66Å; I51-L339 HydrophobicContact CG1-CD1 4.17Å; I51-F340 HydrophobicContact CD1-CE2 3.85Å; I51-F340 HydrophobicContact CD1-CZ 4.49Å |
| 52 | Y | 97.5 | Very high | 96.7 | Very high | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 147.6 | 176.8 | -70.9 | -37.4 | 0 | 0 | 0 | 111.8 | K28 D29 I34 V37 P57 E60 L64 | K28-Y52 HydrophobicContact CB-CE1 4.31Å; K28-Y52 HydrophobicContact CB-CE2 4.48Å; K28-Y52 HydrophobicContact CD-CD2 4.41Å; K28-Y52 HydrophobicContact CG-CD1 4.17Å; K28-Y52 HydrophobicContact CG-CD2 4.32Å; K28-Y52 HydrophobicContact CG-CE1 4.09Å; K28-Y52 HydrophobicContact CG-CE2 4.26Å; K28-Y52 HydrophobicContact CG-CG 4.31Å; D29-Y52 PolarHBondContact N-OH 3.17Å; I34-Y52 HydrophobicContact CD1-CD1 3.86Å; I34-Y52 HydrophobicContact CD1-CG 3.89Å; V37-Y52 HydrophobicContact CB-CD1 3.98Å; V37-Y52 HydrophobicContact CB-CE1 4.44Å; V37-Y52 HydrophobicContact CG2-CD1 3.51Å; V37-Y52 HydrophobicContact CG2-CE1 3.69Å; Y52-P57 VanDerWaalsContact O-CB 3.24Å; Y52-P57 WeakPolarHBondContact O-CB 3.33Å; Y52-E60 HydrophobicContact CD2-CG 3.69Å; Y52-E60 WeakPolarHBondContact CD2-OE1 3.42Å; Y52-E60 HydrophobicContact CE2-CG 3.7Å; Y52-E60 HydrophobicContact CG-CG 4.37Å; Y52-L64 HydrophobicContact CE1-CD2 4.21Å; Y52-L64 WeakPolarHBondContact OH-CD2 3.38Å |
| 53 | A | 97.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | trans | -57.1 | 140.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112 | I34 S35 W36 | I34-A53 HydrophobicContact CD1-CB 3.96Å; I34-A53 VanDerWaalsContact CD1-N 3.31Å; I34-A53 HydrophobicContact CG1-CB 3.78Å; S35-A53 VanDerWaalsContact OG-CB 3.26Å; S35-A53 WeakPolarHBondContact OG-CB 3.33Å; W36-A53 HydrophobicContact CD2-CB 3.6Å; W36-A53 HydrophobicContact CE3-CB 4.22Å; W36-A53 HydrophobicContact CG-CB 3.84Å; W36-A53 HydrophobicContact CH2-CB 4.4Å; W36-A53 HydrophobicContact CZ2-CB 3.83Å; W36-A53 WeakPolarHBondContact O-CB 3.28Å; W36-A53 PolarHBondContact O-N 2.97Å; W36-A53 VanDerWaalsContact O-N 3.1Å | ||
| 54 | G | 93.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 178.3 | -175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T222 | G54-T222 VanDerWaalsContact O-CG2 3.31Å; G54-T222 WeakPolarHBondContact O-CG2 3.46Å; G54-T222 PolarHBondContact O-OG1 2.67Å |
| 55 | T | 89.3 | Confident | 96.7 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 70% | 0.699 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -69.4 | -36.2 | 175 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | T221 | T55-T221 HydrophobicContact CG2-CG2 3.68Š|
| 56 | D | 93.2 | Very high | 96.8 | Very high | 107 Ų | 107 | 40 Ų | 40 | 57% | 0.572 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -134.4 | 74 | 177.2 | -164.3 | 32.5 | 0 | 0 | 0 | 110.4 | G58 K335 | D56-G58 PolarHBondContact O-N 3.34Å; D56-K335 WeakPolarHBondContact OD1-CD 3.47Å; D56-K335 VanDerWaalsContact OD1-CE 3.24Å; D56-K335 WeakPolarHBondContact OD1-CE 3.34Å; D56-K335 IonicContact OD1-NZ 3.15Å; D56-K335 PolarHBondContact OD1-NZ 2.81Å |
| 57 | P | 95.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | trans | -67.9 | 127.3 | -176.6 | 27.8 | -33.3 | 0 | 0 | 0 | 111 | W36 I51 Y52 H333 K335 V336 | W36-P57 HydrophobicContact CH2-CB 3.77Å; W36-P57 HydrophobicContact CH2-CG 3.99Å; W36-P57 HydrophobicContact CZ2-CB 4.46Å; W36-P57 HydrophobicContact CZ2-CG 4.36Å; I51-P57 HydrophobicContact CG2-CB 3.84Å; Y52-P57 VanDerWaalsContact O-CB 3.24Å; Y52-P57 WeakPolarHBondContact O-CB 3.33Å; P57-H333 WeakPolarHBondContact CG-CE1 3.33Å; P57-H333 WeakPolarHBondContact CG-NE2 3.25Å; P57-K335 HydrophobicContact CG-CB 4.09Å; P57-V336 HydrophobicContact CG-CG2 4.21Å | ||
| 58 | G | 97.5 | Very high | 96.7 | Very high | 27 Ų | 27 | 42 Ų | 42 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | trans | -131.6 | 179 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D56 E60 | D56-G58 PolarHBondContact O-N 3.34Å; G58-E60 PolarHBondContact O-N 2.86Å | ||
| 59 | W | 98.2 | Very high | 96.4 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -65.3 | 129.8 | 166.7 | -64.4 | 109.4 | 0 | 0 | 0 | 109.6 | Q49 A50 I51 V284 K285 F340 I343 | Q49-W59 HydrophobicContact CB-CE3 3.64Å; Q49-W59 HydrophobicContact CB-CZ3 3.62Å; A50-W59 WeakPolarHBondContact O-CA 3.4Å; I51-W59 HydrophobicContact CD1-CD2 4.14Å; I51-W59 HydrophobicContact CD1-CE3 3.9Å; I51-W59 HydrophobicContact CD1-CH2 3.82Å; I51-W59 HydrophobicContact CD1-CZ2 4.04Å; I51-W59 HydrophobicContact CD1-CZ3 3.74Å; I51-W59 HydrophobicContact CG1-CD2 4Å; I51-W59 HydrophobicContact CG1-CE3 3.57Å; I51-W59 HydrophobicContact CG1-CH2 4.39Å; I51-W59 HydrophobicContact CG1-CZ3 3.8Å; W59-V284 HydrophobicContact CH2-CG1 3.61Å; W59-V284 HydrophobicContact CZ2-CG1 3.77Å; W59-V284 HydrophobicContact CZ3-CG1 4.34Å; W59-K285 HydrophobicContact CB-CD 3.99Å; W59-K285 HydrophobicContact CB-CG 4.27Å; W59-K285 HydrophobicContact CD2-CB 4.33Å; W59-K285 HydrophobicContact CG-CB 4.2Å; W59-K285 HydrophobicContact CG-CD 4.34Å; W59-K285 HydrophobicContact CG-CG 4.25Å; W59-F340 HydrophobicContact CH2-CE1 4.42Å; W59-F340 HydrophobicContact CH2-CE2 4.27Å; W59-F340 AromaticContact CH2-CZ 3.82Å; W59-F340 HydrophobicContact CH2-CZ 3.82Å; W59-F340 HydrophobicContact CZ2-CE2 4.36Å; W59-F340 HydrophobicContact CZ2-CZ 4.2Å; W59-I343 HydrophobicContact CZ2-CD1 4.05Å |
| 60 | E | 97.5 | Very high | 96.2 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | trans | -57.6 | 147.6 | 171.8 | -66.3 | -57.4 | 123.3 | 0 | 0 | 110.9 | A50 Y52 G58 T62 L64 K285 | A50-E60 HydrophobicContact CB-CG 4.01Å; A50-E60 PolarHBondContact O-N 2.82Å; Y52-E60 HydrophobicContact CD2-CG 3.69Å; Y52-E60 WeakPolarHBondContact CD2-OE1 3.42Å; Y52-E60 HydrophobicContact CE2-CG 3.7Å; Y52-E60 HydrophobicContact CG-CG 4.37Å; G58-E60 PolarHBondContact O-N 2.86Å; E60-T62 VanDerWaalsContact C-N 3.31Å; E60-T62 PolarHBondContact O-N 3.38Å; E60-L64 HydrophobicContact CB-CD1 4.36Å; E60-L64 HydrophobicContact CG-CD1 4.43Å; E60-K285 VanDerWaalsContact O-CE 3.31Å; E60-K285 WeakPolarHBondContact O-CE 3.47Å | ||
| 61 | A | 96.4 | Very high | 96 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -62.5 | -40.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 62 | T | 96.4 | Very high | 95.8 | Very high | 106 Ų | 106 | 48.6 Ų | 48.6 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -116 | 134 | -177.2 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | E60 | E60-T62 VanDerWaalsContact C-N 3.31Å; E60-T62 PolarHBondContact O-N 3.38Å |
| 63 | P | 97.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | trans | -57.4 | 140.7 | 171.6 | -24 | 34 | 0 | 0 | 0 | 112 | I42 A48 | I42-P63 HydrophobicContact CD1-CB 4.15Å; I42-P63 HydrophobicContact CD1-CG 4.25Å; A48-P63 CarbonylContact O-C 3.53Å; A48-P63 VanDerWaalsContact O-CA 3.32Å; A48-P63 WeakPolarHBondContact O-CA 3.38Å | ||
| 64 | L | 97.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 141.4 | 177.7 | -77.6 | 56.9 | 0 | 0 | 0 | 109.9 | D29 Y39 T47 A48 A50 Y52 E60 | D29-L64 HydrophobicContact CB-CG 4.32Å; Y39-L64 HydrophobicContact CD1-CD2 4.03Å; Y39-L64 HydrophobicContact CE1-CD2 3.67Å; T47-L64 CarbonylContact C-O 3.59Å; T47-L64 WeakPolarHBondContact CA-O 3.42Å; T47-L64 WeakPolarHBondContact CB-O 3.49Å; A48-L64 PolarHBondContact N-O 3.19Å; A48-L64 PolarHBondContact O-N 3.37Å; A50-L64 HydrophobicContact CB-CD1 3.47Å; A50-L64 VanDerWaalsContact CB-CD1 3.47Å; A50-L64 HydrophobicContact CB-CD2 3.62Å; A50-L64 HydrophobicContact CB-CG 4.15Å; Y52-L64 HydrophobicContact CE1-CD2 4.21Å; Y52-L64 WeakPolarHBondContact OH-CD2 3.38Å; E60-L64 HydrophobicContact CB-CD1 4.36Å; E60-L64 HydrophobicContact CG-CD1 4.43Å |
| 65 | D | 97.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111 | 169.2 | 176.1 | 6.5 | 0 | 0 | 0 | 109.7 | T67 K68 | D65-T67 VanDerWaalsContact CG-OG1 3.27Å; D65-T67 PolarHBondContact O-N 3.43Å; D65-T67 VanDerWaalsContact OD1-CB 3.3Å; D65-T67 WeakPolarHBondContact OD1-CB 3.22Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.36Å; D65-T67 PolarHBondContact OD1-N 3.3Å; D65-T67 PolarHBondContact OD1-OG1 2.87Å; D65-T67 PolarHBondContact OD2-OG1 3.45Å; D65-K68 HydrophobicContact CB-CD 4.41Å; D65-K68 HydrophobicContact CB-CG 4.35Å |
| 66 | L | 98 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.5 | -177.2 | -54 | -176.7 | 0 | 0 | 0 | 113 | Y39 Q41 Q46 A48 I73 F140 A142 P143 | Y39-L66 HydrophobicContact CD1-CD2 4.28Å; Q41-L66 HydrophobicContact CG-CD1 4.18Å; Q46-L66 VanDerWaalsContact O-CB 3.27Å; Q46-L66 WeakPolarHBondContact O-CB 3.04Å; Q46-L66 WeakPolarHBondContact O-CG 3.48Å; Q46-L66 PolarHBondContact O-N 2.79Å; A48-L66 HydrophobicContact CB-CD1 4.08Å; A48-L66 HydrophobicContact CB-CD2 3.98Å; A48-L66 HydrophobicContact CB-CG 4.22Å; L66-I73 HydrophobicContact CD1-CD1 4.46Å; L66-I73 HydrophobicContact CD2-CD1 3.86Å; L66-I73 HydrophobicContact CD2-CG1 4.39Å; L66-F140 WeakPolarHBondContact O-CE1 3.49Å; L66-F140 WeakPolarHBondContact O-CZ 3.32Å; L66-A142 WeakPolarHBondContact O-CB 3.15Å; L66-P143 HydrophobicContact CD1-CB 4.47Å; L66-P143 HydrophobicContact CD1-CG 4.09Å |
| 67 | T | 97.5 | Very high | 95.9 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.2 | -177.2 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | Q46 D65 A69 A142 | Q46-T67 HydrophobicContact CB-CG2 3.58Å; Q46-T67 HydrophobicContact CG-CG2 4.27Å; D65-T67 VanDerWaalsContact CG-OG1 3.27Å; D65-T67 PolarHBondContact O-N 3.43Å; D65-T67 VanDerWaalsContact OD1-CB 3.3Å; D65-T67 WeakPolarHBondContact OD1-CB 3.22Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.36Å; D65-T67 PolarHBondContact OD1-N 3.3Å; D65-T67 PolarHBondContact OD1-OG1 2.87Å; D65-T67 PolarHBondContact OD2-OG1 3.45Å; T67-A69 PolarHBondContact O-N 2.85Å; T67-A142 HydrophobicContact CG2-CB 4.32Å |
| 68 | K | 95.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 39.3 Ų | 39.3 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | trans | -66.9 | 118.2 | -178.4 | -63 | 177.7 | -175.2 | 170.3 | 0 | 111.1 | D29 D65 A70 G71 | D29-K68 IonicContact OD2-NZ 2.82Å; D29-K68 PolarHBondContact OD2-NZ 3.27Å; D65-K68 HydrophobicContact CB-CD 4.41Å; D65-K68 HydrophobicContact CB-CG 4.35Å; K68-A70 VanDerWaalsContact C-N 3.25Å; K68-A70 PolarHBondContact O-N 3.39Å; K68-G71 PolarHBondContact O-N 3.21Å | ||
| 69 | A | 93.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -34.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T67 G71 G74 S75 F140 | T67-A69 PolarHBondContact O-N 2.85Å; A69-G71 VanDerWaalsContact C-N 3.34Å; A69-G74 CarbonylContact O-C 2.92Å; A69-G74 VanDerWaalsContact O-CA 3.24Å; A69-G74 WeakPolarHBondContact O-CA 3.44Å; A69-S75 PolarHBondContact O-N 3.27Å; A69-F140 HydrophobicContact CB-CD1 4.48Å |
| 70 | A | 93.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 65% | 0.653 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 4.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K68 S75 | K68-A70 VanDerWaalsContact C-N 3.25Å; K68-A70 PolarHBondContact O-N 3.39Å; A70-S75 VanDerWaalsContact C-OG 3.27Å; A70-S75 PolarHBondContact O-OG 3.5Å; A70-S75 VanDerWaalsContact O-OG 3.13Å |
| 71 | G | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -79 | -172.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D29 K68 A69 G74 S75 | D29-G71 WeakPolarHBondContact OD1-CA 3.47Å; K68-G71 PolarHBondContact O-N 3.21Å; A69-G71 VanDerWaalsContact C-N 3.34Å; G71-G74 PolarHBondContact O-N 2.85Å; G71-S75 VanDerWaalsContact O-CB 3.22Å; G71-S75 WeakPolarHBondContact O-CB 3.47Å; G71-S75 PolarHBondContact O-N 3.37Å; G71-S75 PolarHBondContact O-OG 3Å |
| 72 | S | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.4 | -58.6 | -174.2 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | K27 K28 D29 Y39 | K27-S72 WeakPolarHBondContact O-CB 3.33Å; K28-S72 WeakPolarHBondContact O-CA 3.4Å; D29-S72 PolarHBondContact OD1-N 2.87Å; Y39-S72 WeakPolarHBondContact CE1-OG 3.2Å; Y39-S72 VanDerWaalsContact OH-CB 3.32Å; Y39-S72 WeakPolarHBondContact OH-CB 3.47Å; Y39-S72 PolarHBondContact OH-OG 2.85Å |
| 73 | I | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.1 | -35 | 178.3 | -61.8 | -174.4 | 0 | 0 | 0 | 111.6 | Y39 L66 L76 L77 W132 F140 I151 | Y39-I73 HydrophobicContact CD1-CD1 4.45Å; Y39-I73 HydrophobicContact CD2-CD1 4.19Å; Y39-I73 HydrophobicContact CE1-CD1 4.48Å; Y39-I73 HydrophobicContact CE1-CG1 4.19Å; Y39-I73 HydrophobicContact CE2-CD1 4.21Å; Y39-I73 HydrophobicContact CE2-CG1 4.03Å; Y39-I73 HydrophobicContact CG-CD1 4.3Å; L66-I73 HydrophobicContact CD1-CD1 4.46Å; L66-I73 HydrophobicContact CD2-CD1 3.86Å; L66-I73 HydrophobicContact CD2-CG1 4.39Å; I73-L76 WeakPolarHBondContact O-CB 3.48Å; I73-L76 PolarHBondContact O-N 3.25Å; I73-L77 HydrophobicContact CG2-CD1 4.05Å; I73-L77 PolarHBondContact O-N 2.79Å; I73-W132 HydrophobicContact CG2-CH2 4.1Å; I73-W132 HydrophobicContact CG2-CZ2 3.67Å; I73-F140 HydrophobicContact CB-CZ 4.42Å; I73-F140 HydrophobicContact CG2-CE2 3.83Å; I73-F140 HydrophobicContact CG2-CZ 3.98Å; I73-I151 HydrophobicContact CD1-CD1 3.75Å |
| 74 | G | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A69 G71 L76 L77 T78 | A69-G74 CarbonylContact O-C 2.92Å; A69-G74 VanDerWaalsContact O-CA 3.24Å; A69-G74 WeakPolarHBondContact O-CA 3.44Å; G71-G74 PolarHBondContact O-N 2.85Å; G74-L76 PolarHBondContact O-N 2.88Å; G74-L77 PolarHBondContact O-N 3.13Å; G74-T78 VanDerWaalsContact O-CB 3.25Å; G74-T78 WeakPolarHBondContact O-CB 3.29Å; G74-T78 PolarHBondContact O-N 3.2Å; G74-T78 PolarHBondContact O-OG1 2.91Å |
| 75 | S | 93.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -30.5 | 179.6 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | A69 A70 G71 P79 | A69-S75 PolarHBondContact O-N 3.27Å; A70-S75 VanDerWaalsContact C-OG 3.27Å; A70-S75 PolarHBondContact O-OG 3.5Å; A70-S75 VanDerWaalsContact O-OG 3.13Å; G71-S75 VanDerWaalsContact O-CB 3.22Å; G71-S75 WeakPolarHBondContact O-CB 3.47Å; G71-S75 PolarHBondContact O-N 3.37Å; G71-S75 PolarHBondContact O-OG 3Å; S75-P79 VanDerWaalsContact O-CD 3.31Å; S75-P79 WeakPolarHBondContact O-CD 3.4Å |
| 76 | L | 92.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.3 | -171 | 71.5 | 0 | 0 | 0 | 112.6 | Q25 I73 G74 W123 L125 | Q25-L76 WeakPolarHBondContact O-CD1 3.44Å; I73-L76 WeakPolarHBondContact O-CB 3.48Å; I73-L76 PolarHBondContact O-N 3.25Å; G74-L76 PolarHBondContact O-N 2.88Å; L76-W123 HydrophobicContact CD1-CB 4.23Å; L76-W123 HydrophobicContact CD1-CD2 3.54Å; L76-W123 VanDerWaalsContact CD1-CE2 3.46Å; L76-W123 HydrophobicContact CD1-CE3 4.35Å; L76-W123 HydrophobicContact CD1-CG 3.42Å; L76-W123 VanDerWaalsContact CD1-CG 3.42Å; L76-W123 HydrophobicContact CD1-CZ2 4.2Å; L76-W123 VanDerWaalsContact CD1-NE1 3.25Å; L76-W123 HydrophobicContact CD2-CD2 4.13Å; L76-W123 HydrophobicContact CD2-CE3 4.14Å; L76-W123 HydrophobicContact CD2-CH2 4.39Å; L76-W123 HydrophobicContact CD2-CZ2 4.33Å; L76-W123 HydrophobicContact CD2-CZ3 4.31Å; L76-W123 HydrophobicContact CG-CD2 3.86Å; L76-W123 HydrophobicContact CG-CE3 4.34Å; L76-W123 HydrophobicContact CG-CG 4.29Å; L76-W123 HydrophobicContact CG-CH2 4.29Å; L76-W123 HydrophobicContact CG-CZ2 3.76Å; L76-L125 HydrophobicContact CD2-CD1 3.67Å; L76-L125 HydrophobicContact CD2-CD2 3.74Å; L76-L125 HydrophobicContact CD2-CG 3.8Å |
| 77 | L | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -98.3 | -25.9 | -171.2 | -63.3 | -179.8 | 0 | 0 | 0 | 113.4 | I73 G74 P79 F80 F81 W123 L125 W132 P133 F135 F140 | I73-L77 HydrophobicContact CG2-CD1 4.05Å; I73-L77 PolarHBondContact O-N 2.79Å; G74-L77 PolarHBondContact O-N 3.13Å; L77-P79 VanDerWaalsContact C-N 3.32Å; L77-F80 PolarHBondContact O-N 2.71Å; L77-F81 HydrophobicContact CB-CE2 3.94Å; L77-F81 WeakPolarHBondContact O-CD2 3.46Å; L77-F81 WeakPolarHBondContact O-CE2 3.18Å; L77-W123 HydrophobicContact CD2-CH2 3.58Å; L77-W123 HydrophobicContact CD2-CZ2 3.89Å; L77-L125 HydrophobicContact CD2-CD1 4.26Å; L77-W132 HydrophobicContact CD1-CH2 4.1Å; L77-W132 HydrophobicContact CD1-CZ2 3.52Å; L77-P133 HydrophobicContact CD1-CB 4Å; L77-F135 HydrophobicContact CD2-CE1 4.23Å; L77-F135 HydrophobicContact CD2-CZ 3.94Å; L77-F140 HydrophobicContact CB-CD2 4.01Å; L77-F140 HydrophobicContact CD1-CD2 4.05Å; L77-F140 HydrophobicContact CD1-CE2 3.92Å |
| 78 | T | 93 | Very high | 89.9 | Confident | 48 Ų | 48 | 45 Ų | 45 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -48.4 | -43.8 | -179.7 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | G74 F80 F81 | G74-T78 VanDerWaalsContact O-CB 3.25Å; G74-T78 WeakPolarHBondContact O-CB 3.29Å; G74-T78 PolarHBondContact O-N 3.2Å; G74-T78 PolarHBondContact O-OG1 2.91Å; T78-F80 PolarHBondContact O-N 2.82Å; T78-F80 VanDerWaalsContact O-N 3.07Å; T78-F81 PolarHBondContact O-N 2.79Å |
| 79 | P | 91.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 16% | 0.156 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -61.4 | -20.9 | -178.2 | -22.5 | 33.2 | 0 | 0 | 0 | 114.8 | S75 L77 F81 T82 T85 Y89 | S75-P79 VanDerWaalsContact O-CD 3.31Å; S75-P79 WeakPolarHBondContact O-CD 3.4Å; L77-P79 VanDerWaalsContact C-N 3.32Å; P79-F81 VanDerWaalsContact C-N 3.33Å; P79-T82 PolarHBondContact O-OG1 3.07Å; P79-T85 PolarHBondContact O-OG1 2.77Å; P79-Y89 HydrophobicContact CB-CD2 4.07Å; P79-Y89 HydrophobicContact CB-CE1 4.3Å; P79-Y89 HydrophobicContact CB-CE2 3.29Å; P79-Y89 VanDerWaalsContact CB-CZ 3.48Å; P79-Y89 WeakPolarHBondContact O-CD2 3.35Å |
| 80 | F | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -85.2 | -5 | 178.9 | -60.7 | -86.7 | 0 | 0 | 0 | 113.5 | L24 L77 T78 K86 Y89 N90 I91 W123 F135 I179 | L24-F80 HydrophobicContact CD1-CE2 4.04Å; L24-F80 HydrophobicContact CD1-CZ 4.21Å; L24-F80 HydrophobicContact CD2-CZ 3.95Å; L77-F80 PolarHBondContact O-N 2.71Å; T78-F80 PolarHBondContact O-N 2.82Å; T78-F80 VanDerWaalsContact O-N 3.07Å; F80-K86 WeakPolarHBondContact O-CE 3.28Å; F80-Y89 HydrophobicContact CD1-CG 4.38Å; F80-Y89 HydrophobicContact CE1-CD1 4.34Å; F80-Y89 HydrophobicContact CE1-CG 4.08Å; F80-Y89 HydrophobicContact CZ-CD1 4.31Å; F80-Y89 HydrophobicContact CZ-CG 4.44Å; F80-N90 WeakPolarHBondContact CE1-O 3.46Å; F80-I91 HydrophobicContact CB-CD1 4.24Å; F80-I91 HydrophobicContact CD1-CB 3.79Å; F80-I91 HydrophobicContact CD1-CD1 3.64Å; F80-I91 HydrophobicContact CD1-CG1 3.99Å; F80-I91 HydrophobicContact CD1-CG2 4.46Å; F80-I91 HydrophobicContact CD2-CD1 4.34Å; F80-I91 HydrophobicContact CE1-CB 3.77Å; F80-I91 HydrophobicContact CE1-CD1 4Å; F80-I91 HydrophobicContact CE1-CG1 3.91Å; F80-I91 HydrophobicContact CG-CD1 3.8Å; F80-W123 HydrophobicContact CD2-CZ2 4.23Å; F80-W123 HydrophobicContact CE2-CH2 4.47Å; F80-W123 AromaticContact CE2-CZ2 3.44Å; F80-W123 HydrophobicContact CE2-CZ2 3.44Å; F80-W123 VanDerWaalsContact CE2-CZ2 3.44Å; F80-W123 AromaticContact CZ-CZ2 3.93Å; F80-W123 HydrophobicContact CZ-CZ2 3.93Å; F80-F135 HydrophobicContact CB-CD1 4.32Å; F80-F135 HydrophobicContact CB-CE1 4.06Å; F80-I179 HydrophobicContact CD1-CD1 4.26Å |
| 81 | F | 89.4 | Confident | 90.2 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -25.5 | 178.3 | -64.4 | -71.4 | 0 | 0 | 0 | 112.8 | L77 T78 P79 D134 F135 K137 T138 F140 | L77-F81 HydrophobicContact CB-CE2 3.94Å; L77-F81 WeakPolarHBondContact O-CD2 3.46Å; L77-F81 WeakPolarHBondContact O-CE2 3.18Å; T78-F81 PolarHBondContact O-N 2.79Å; P79-F81 VanDerWaalsContact C-N 3.33Å; F81-D134 VanDerWaalsContact CE1-O 3.27Å; F81-D134 WeakPolarHBondContact CE1-O 3.33Å; F81-F135 HydrophobicContact CE1-CD1 4.05Å; F81-F135 AromaticContact CZ-CD1 3.93Å; F81-F135 HydrophobicContact CZ-CD1 3.93Å; F81-F135 HydrophobicContact CZ-CE1 4.19Å; F81-K137 VanDerWaalsContact CD1-O 3.32Å; F81-K137 WeakPolarHBondContact CD1-O 3.3Å; F81-K137 HydrophobicContact CE1-CB 4.45Å; F81-T138 WeakPolarHBondContact CB-O 3.34Å; F81-F140 HydrophobicContact CD2-CB 4.29Å; F81-F140 HydrophobicContact CE2-CB 4.05Å |
| 82 | T | 83.8 | Confident | 90.3 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | trans | -87.2 | 118.8 | -175.6 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | P79 A84 T85 K86 | P79-T82 PolarHBondContact O-OG1 3.07Å; T82-A84 VanDerWaalsContact C-N 3.29Å; T82-A84 PolarHBondContact O-N 3.16Å; T82-T85 PolarHBondContact O-N 3.31Å; T82-T85 PolarHBondContact O-OG1 2.82Å; T82-T85 PolarHBondContact OG1-OG1 3Å; T82-K86 WeakPolarHBondContact O-CG 3.39Å; T82-K86 PolarHBondContact O-N 3.36Å | ||
| 83 | Q | 73.1 | Confident | 90.5 | Very high | 166 Ų | 166 | 34.8 Ų | 34.8 | 78% | 0.776 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -55 | -40.9 | -175.9 | -69.3 | -173.3 | 9.8 | 0 | 0 | 113.8 | T85 K86 | Q83-T85 PolarHBondContact O-N 3.19Å; Q83-K86 PolarHBondContact O-N 2.54Å; Q83-K86 VanDerWaalsContact O-N 3.15Å |
| 84 | A | 74.1 | Confident | 90.5 | Very high | 94 Ų | 94 | 34.8 Ų | 34.8 | 78% | 0.777 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -58.5 | -22.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T82 | T82-A84 VanDerWaalsContact C-N 3.29Å; T82-A84 PolarHBondContact O-N 3.16Å |
| 85 | T | 79 | Confident | 90.5 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -114.2 | -6.8 | -177 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | P79 T82 Q83 E87 D88 Y89 | P79-T85 PolarHBondContact O-OG1 2.77Å; T82-T85 PolarHBondContact O-N 3.31Å; T82-T85 PolarHBondContact O-OG1 2.82Å; T82-T85 PolarHBondContact OG1-OG1 3Å; Q83-T85 PolarHBondContact O-N 3.19Å; T85-E87 PolarHBondContact O-N 3.28Å; T85-D88 PolarHBondContact O-N 3.26Å; T85-Y89 VanDerWaalsContact CB-CE2 3.46Å; T85-Y89 HydrophobicContact CG2-CE2 4.5Å; T85-Y89 WeakPolarHBondContact O-CD2 3.35Å; T85-Y89 WeakPolarHBondContact O-CE2 3.41Å |
| 86 | K | 83.5 | Confident | 90.6 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 27% | 0.274 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.7 | -29.5 | -178.3 | -80.8 | -174.7 | -178.5 | -163 | 0 | 112.8 | F80 T82 Q83 D88 Y89 | F80-K86 WeakPolarHBondContact O-CE 3.28Å; T82-K86 WeakPolarHBondContact O-CG 3.39Å; T82-K86 PolarHBondContact O-N 3.36Å; Q83-K86 PolarHBondContact O-N 2.54Å; Q83-K86 VanDerWaalsContact O-N 3.15Å; K86-D88 PolarHBondContact O-N 2.9Å; K86-Y89 PolarHBondContact O-N 3.35Å |
| 87 | E | 91.1 | Very high | 90.7 | Very high | 112 Ų | 112 | 35.1 Ų | 35.1 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20 | 179.4 | -56.3 | -172.9 | -180 | 0 | 0 | 113.1 | T85 A181 T182 K183 | T85-E87 PolarHBondContact O-N 3.28Å; E87-A181 CarbonylContact O-C 3.5Å; E87-A181 WeakPolarHBondContact O-CA 3.28Å; E87-A181 WeakPolarHBondContact O-CB 3Å; E87-T182 PolarHBondContact O-N 3.4Å; E87-K183 HydrophobicContact CB-CB 4.42Å; E87-K183 PolarHBondContact O-N 3.26Å |
| 88 | D | 92.7 | Very high | 90.8 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -16.9 | -180 | -62.7 | -57.3 | 0 | 0 | 0 | 114 | T85 K86 K183 | T85-D88 PolarHBondContact O-N 3.26Å; K86-D88 PolarHBondContact O-N 2.9Å; D88-K183 WeakPolarHBondContact OD1-CD 3.37Å |
| 89 | Y | 95.2 | Very high | 90.8 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | trans | -109.9 | 141.8 | -166.7 | -66.5 | -58.3 | 0 | 0 | 0 | 112.5 | L24 P79 F80 T85 K86 T118 I179 A181 | L24-Y89 HydrophobicContact CB-CE1 4.48Å; L24-Y89 HydrophobicContact CD1-CD1 4.46Å; L24-Y89 HydrophobicContact CD1-CE1 4Å; L24-Y89 HydrophobicContact CD2-CD1 3.83Å; L24-Y89 HydrophobicContact CD2-CE1 3.97Å; L24-Y89 HydrophobicContact CG-CE1 4.37Å; P79-Y89 HydrophobicContact CB-CD2 4.07Å; P79-Y89 HydrophobicContact CB-CE1 4.3Å; P79-Y89 HydrophobicContact CB-CE2 3.29Å; P79-Y89 VanDerWaalsContact CB-CZ 3.48Å; P79-Y89 WeakPolarHBondContact O-CD2 3.35Å; F80-Y89 HydrophobicContact CD1-CG 4.38Å; F80-Y89 HydrophobicContact CE1-CD1 4.34Å; F80-Y89 HydrophobicContact CE1-CG 4.08Å; F80-Y89 HydrophobicContact CZ-CD1 4.31Å; F80-Y89 HydrophobicContact CZ-CG 4.44Å; T85-Y89 VanDerWaalsContact CB-CE2 3.46Å; T85-Y89 HydrophobicContact CG2-CE2 4.5Å; T85-Y89 WeakPolarHBondContact O-CD2 3.35Å; T85-Y89 WeakPolarHBondContact O-CE2 3.41Å; K86-Y89 PolarHBondContact O-N 3.35Å; Y89-T118 HydrophobicContact CD1-CG2 3.35Å; Y89-T118 HydrophobicContact CE1-CG2 3.35Å; Y89-I179 WeakPolarHBondContact O-CG1 3.37Å; Y89-A181 PolarHBondContact O-N 3.08Å | ||
| 90 | N | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.6 | 167.1 | -54.3 | -88.5 | 0 | 0 | 0 | 108.7 | F80 G116 W117 I179 S180 A181 N188 T189 L190 | F80-N90 WeakPolarHBondContact CE1-O 3.46Å; N90-G116 WeakPolarHBondContact O-CA 3.32Å; N90-W117 HydrophobicContact CB-CD2 3.51Å; N90-W117 HydrophobicContact CB-CE3 3.82Å; N90-W117 HydrophobicContact CB-CG 4.13Å; N90-W117 HydrophobicContact CB-CH2 3.64Å; N90-W117 HydrophobicContact CB-CZ2 3.3Å; N90-W117 HydrophobicContact CB-CZ3 3.89Å; N90-W117 PolarHBondContact N-O 3.46Å; N90-W117 PolarHBondContact ND2-NE1 3.02Å; N90-W117 PolarHBondContact ND2-O 3.19Å; N90-W117 PolarHBondContact O-N 3.36Å; N90-I179 WeakPolarHBondContact CA-O 3.41Å; N90-S180 PolarHBondContact OD1-OG 3.45Å; N90-A181 PolarHBondContact OD1-N 3.43Å; N90-N188 PolarHBondContact ND2-O 2.96Å; N90-T189 VanDerWaalsContact OD1-CA 3.31Å; N90-T189 WeakPolarHBondContact OD1-CA 3.4Å; N90-L190 PolarHBondContact OD1-N 3.13Å; N90-L190 VanDerWaalsContact OD1-N 3.08Å |
| 91 | I | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.1 | 175.2 | -151.4 | -179.9 | 0 | 0 | 0 | 111.1 | F80 V114 L115 F135 Y177 Y178 I179 | F80-I91 HydrophobicContact CB-CD1 4.24Å; F80-I91 HydrophobicContact CD1-CB 3.79Å; F80-I91 HydrophobicContact CD1-CD1 3.64Å; F80-I91 HydrophobicContact CD1-CG1 3.99Å; F80-I91 HydrophobicContact CD1-CG2 4.46Å; F80-I91 HydrophobicContact CD2-CD1 4.34Å; F80-I91 HydrophobicContact CE1-CB 3.77Å; F80-I91 HydrophobicContact CE1-CD1 4Å; F80-I91 HydrophobicContact CE1-CG1 3.91Å; F80-I91 HydrophobicContact CG-CD1 3.8Å; I91-V114 HydrophobicContact CD1-CG1 3.69Å; I91-V114 HydrophobicContact CG1-CG1 3.64Å; I91-L115 CarbonylContact C-O 3.6Å; I91-L115 VanDerWaalsContact CA-O 3.25Å; I91-L115 WeakPolarHBondContact CA-O 3.48Å; I91-L115 VanDerWaalsContact CG1-O 3.24Å; I91-L115 WeakPolarHBondContact CG1-O 3.18Å; I91-F135 HydrophobicContact CD1-CD1 3.94Å; I91-F135 HydrophobicContact CD1-CD2 4.26Å; I91-F135 HydrophobicContact CD1-CE1 3.29Å; I91-F135 HydrophobicContact CD1-CE2 3.62Å; I91-F135 HydrophobicContact CD1-CG 4.4Å; I91-F135 HydrophobicContact CD1-CZ 3.12Å; I91-F135 HydrophobicContact CG1-CZ 4.45Å; I91-Y177 HydrophobicContact CG2-CD1 3.7Å; I91-Y177 HydrophobicContact CG2-CE1 3.68Å; I91-Y178 CarbonylContact O-C 3.57Å; I91-Y178 WeakPolarHBondContact O-CA 3.07Å; I91-Y178 VanDerWaalsContact O-CB 3.27Å; I91-Y178 WeakPolarHBondContact O-CB 3.41Å; I91-I179 HydrophobicContact CB-CD1 4.5Å; I91-I179 HydrophobicContact CB-CG1 4.22Å; I91-I179 HydrophobicContact CG2-CB 4.27Å; I91-I179 HydrophobicContact CG2-CD1 4.06Å; I91-I179 HydrophobicContact CG2-CG1 3.72Å; I91-I179 HydrophobicContact CG2-CG2 4.21Å; I91-I179 PolarHBondContact N-O 3.3Å; I91-I179 PolarHBondContact O-N 3.46Å |
| 92 | I | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 121.6 | 162.7 | -56.7 | 176.7 | 0 | 0 | 0 | 107.2 | F94 V114 L115 W117 I175 L190 L196 T200 | I92-F94 HydrophobicContact CG2-CD1 4.25Å; I92-V114 CarbonylContact O-C 3.52Å; I92-V114 VanDerWaalsContact O-CA 3.31Å; I92-V114 WeakPolarHBondContact O-CA 3.41Å; I92-L115 HydrophobicContact CB-CB 4.42Å; I92-L115 HydrophobicContact CD1-CD1 4.5Å; I92-L115 PolarHBondContact N-O 3.46Å; I92-L115 PolarHBondContact O-N 3.1Å; I92-W117 HydrophobicContact CD1-CH2 4.02Å; I92-W117 HydrophobicContact CD1-CZ3 4.4Å; I92-W117 HydrophobicContact CG1-CH2 3.91Å; I92-W117 HydrophobicContact CG1-CZ3 4.05Å; I92-I175 HydrophobicContact CG2-CD1 3.78Å; I92-I175 HydrophobicContact CG2-CG1 4.41Å; I92-I175 HydrophobicContact CG2-CG2 3.87Å; I92-L190 HydrophobicContact CD1-CD1 3.53Å; I92-L190 HydrophobicContact CG1-CD1 3.96Å; I92-L196 HydrophobicContact CD1-CB 3.91Å; I92-L196 HydrophobicContact CD1-CD1 4.43Å; I92-L196 HydrophobicContact CD1-CD2 4.01Å; I92-L196 HydrophobicContact CD1-CG 4.34Å; I92-T200 HydrophobicContact CD1-CG2 4.36Å |
| 93 | A | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V114 F135 Y176 Y177 | A93-V114 HydrophobicContact CB-CG1 4.37Å; A93-V114 HydrophobicContact CB-CG2 4.08Å; A93-F135 HydrophobicContact CB-CD2 3.72Å; A93-F135 HydrophobicContact CB-CE2 3.5Å; A93-F135 VanDerWaalsContact CB-CE2 3.5Å; A93-Y176 VanDerWaalsContact C-CE1 3.43Å; A93-Y176 HydrophobicContact CB-CD1 4.36Å; A93-Y176 HydrophobicContact CB-CE1 3.61Å; A93-Y176 HydrophobicContact CB-CE2 4Å; A93-Y176 WeakPolarHBondContact CB-OH 3.37Å; A93-Y176 VanDerWaalsContact O-CD1 3.29Å; A93-Y176 WeakPolarHBondContact O-CD1 3.47Å; A93-Y176 PolarHBondContact O-N 2.96Å; A93-Y177 PolarHBondContact N-O 2.59Å; A93-Y177 PolarHBondContact O-N 3.37Å |
| 94 | F | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.8 | -175.4 | 52.7 | -92.8 | 0 | 0 | 0 | 111.4 | I92 T111 R112 G113 L115 F124 L168 P173 M174 I175 | I92-F94 HydrophobicContact CG2-CD1 4.25Å; F94-T111 HydrophobicContact CD2-CG2 3.65Å; F94-T111 HydrophobicContact CE2-CG2 3.39Å; F94-T111 HydrophobicContact CZ-CG2 4.49Å; F94-R112 CarbonylContact O-C 3.52Å; F94-R112 VanDerWaalsContact O-CA 3.24Å; F94-R112 WeakPolarHBondContact O-CA 3.25Å; F94-G113 VanDerWaalsContact CE2-CA 3.46Å; F94-G113 PolarHBondContact N-O 3.1Å; F94-G113 PolarHBondContact O-N 2.67Å; F94-L115 HydrophobicContact CE1-CG 4.39Å; F94-F124 HydrophobicContact CZ-CE2 4Å; F94-L168 HydrophobicContact CE1-CD1 3.86Å; F94-L168 HydrophobicContact CE1-CD2 4.26Å; F94-L168 HydrophobicContact CE2-CD2 3.94Å; F94-L168 HydrophobicContact CZ-CD1 3.96Å; F94-L168 HydrophobicContact CZ-CD2 3.57Å; F94-L168 HydrophobicContact CZ-CG 4.45Å; F94-P173 HydrophobicContact CB-CB 3.93Å; F94-P173 HydrophobicContact CD2-CB 3.89Å; F94-P173 HydrophobicContact CG-CB 4Å; F94-M174 CarbonylContact C-O 3.4Å; F94-M174 WeakPolarHBondContact CA-O 3.4Å; F94-M174 WeakPolarHBondContact CB-O 3.07Å; F94-I175 HydrophobicContact CB-CD1 3.62Å; F94-I175 HydrophobicContact CD1-CD1 4.34Å; F94-I175 HydrophobicContact CG-CD1 4.32Å |
| 95 | S | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -171.2 | 137.3 | -179.9 | 178 | 0 | 0 | 0 | 0 | 109.3 | Y97 P98 T111 M174 | S95-Y97 PolarHBondContact O-N 2.89Å; S95-Y97 PolarHBondContact OG-N 3.31Å; S95-Y97 PolarHBondContact OG-O 3.47Å; S95-P98 WeakPolarHBondContact O-CD 3.21Å; S95-T111 WeakPolarHBondContact CA-O 3.28Å; S95-M174 PolarHBondContact N-O 3.1Å; S95-M174 WeakPolarHBondContact O-CE 3.47Å | ||
| 96 | N | 95 | Very high | 92.5 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.1 | -7.1 | 168.2 | 81.3 | -36 | 0 | 0 | 0 | 113.5 | V105 S109 N110 R112 | N96-V105 PolarHBondContact O-N 3.03Å; N96-S109 WeakPolarHBondContact CB-O 3.21Å; N96-S109 PolarHBondContact ND2-O 2.83Å; N96-N110 PolarHBondContact ND2-OD1 2.88Å; N96-R112 PolarHBondContact OD1-NE 2.89Å; N96-R112 PolarHBondContact OD1-NH2 3.38Å; N96-R112 VanDerWaalsContact OD1-NH2 3.1Å |
| 97 | Y | 95.2 | Very high | 91.9 | Very high | 38 Ų | 38 | 59.7 Ų | 59.7 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -137.2 | 67.7 | 175.4 | -159.2 | 178.8 | 0 | 0 | 0 | 109.9 | S95 F101 R102 R103 C104 D130 K131 | S95-Y97 PolarHBondContact O-N 2.89Å; S95-Y97 PolarHBondContact OG-N 3.31Å; S95-Y97 PolarHBondContact OG-O 3.47Å; Y97-F101 HydrophobicContact CD2-CB 4.09Å; Y97-F101 HydrophobicContact CE2-CB 4.17Å; Y97-F101 WeakPolarHBondContact CE2-O 3.3Å; Y97-R102 PolarHBondContact OH-O 2.52Å; Y97-R103 VanDerWaalsContact CE2-C 3.42Å; Y97-C104 HydrophobicContact CD1-CB 3.98Å; Y97-C104 HydrophobicContact CD2-CB 4.4Å; Y97-C104 HydrophobicContact CE1-CB 4.49Å; Y97-C104 HydrophobicContact CG-CB 3.92Å; Y97-D130 HydrophobicContact CD1-CB 3.9Å; Y97-D130 WeakPolarHBondContact CD1-OD1 3.38Å; Y97-D130 HydrophobicContact CE1-CB 4.28Å; Y97-K131 HydrophobicContact CD2-CG 4.01Å; Y97-K131 HydrophobicContact CE2-CD 4.26Å; Y97-K131 HydrophobicContact CE2-CG 3.91Å; Y97-K131 HydrophobicContact CG-CG 4.43Å; Y97-K131 WeakPolarHBondContact O-CA 3.39Å; Y97-K131 PolarHBondContact O-N 2.94Å; Y97-K131 WeakPolarHBondContact OH-CE 3.04Å; Y97-K131 PolarHBondContact OH-NZ 3.15Å |
| 98 | P | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | trans | -70.1 | 168 | -176.3 | 32 | -35.3 | 0 | 0 | 0 | 110.8 | S95 F101 M174 Y176 | S95-P98 WeakPolarHBondContact O-CD 3.21Å; P98-F101 HydrophobicContact CG-CD1 4.14Å; P98-F101 HydrophobicContact CG-CD2 3.52Å; P98-F101 HydrophobicContact CG-CE1 4.21Å; P98-F101 HydrophobicContact CG-CE2 3.58Å; P98-F101 HydrophobicContact CG-CG 3.8Å; P98-F101 HydrophobicContact CG-CZ 3.93Å; P98-F101 PolarHBondContact O-N 3Å; P98-M174 VanDerWaalsContact CD-CE 3.47Å; P98-M174 HydrophobicContact CG-CE 3.67Å; P98-Y176 HydrophobicContact CB-CD1 3.71Å; P98-Y176 HydrophobicContact CB-CD2 3.87Å; P98-Y176 HydrophobicContact CB-CE1 4.28Å; P98-Y176 HydrophobicContact CB-CE2 4.42Å; P98-Y176 HydrophobicContact CB-CG 3.48Å; P98-Y176 VanDerWaalsContact CB-CG 3.48Å; P98-Y176 HydrophobicContact CG-CG 4.41Å | ||
| 99 | P | 94.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 154.4 | 173.2 | -19.9 | 25 | 0 | 0 | 0 | 112.6 | F101 P133 D134 Y176 | P99-F101 WeakPolarHBondContact O-CD2 2.97Å; P99-F101 PolarHBondContact O-N 3.05Å; P99-P133 WeakPolarHBondContact CD-O 2.98Å; P99-P133 VanDerWaalsContact CG-C 3.49Å; P99-P133 WeakPolarHBondContact CG-O 3.48Å; P99-D134 HydrophobicContact CB-CB 3.77Å; P99-D134 HydrophobicContact CG-CB 3.71Å; P99-Y176 HydrophobicContact CG-CE2 4.37Å |
| 100 | L | 89.8 | Confident | 91 | Very high | 139 Ų | 139 | 54.4 Ų | 54.4 | 73% | 0.728 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -14 | 178.9 | -48.6 | 177.9 | 0 | 0 | 0 | 116.1 | ||
| 101 | F | 91.4 | Very high | 90.9 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | trans | -71.9 | 140.2 | 178.1 | -81.9 | -128.4 | 0 | 0 | 0 | 111.2 | Y97 P98 P99 V105 K131 M174 | Y97-F101 HydrophobicContact CD2-CB 4.09Å; Y97-F101 HydrophobicContact CE2-CB 4.17Å; Y97-F101 WeakPolarHBondContact CE2-O 3.3Å; P98-F101 HydrophobicContact CG-CD1 4.14Å; P98-F101 HydrophobicContact CG-CD2 3.52Å; P98-F101 HydrophobicContact CG-CE1 4.21Å; P98-F101 HydrophobicContact CG-CE2 3.58Å; P98-F101 HydrophobicContact CG-CG 3.8Å; P98-F101 HydrophobicContact CG-CZ 3.93Å; P98-F101 PolarHBondContact O-N 3Å; P99-F101 WeakPolarHBondContact O-CD2 2.97Å; P99-F101 PolarHBondContact O-N 3.05Å; F101-V105 HydrophobicContact CD1-CG2 3.79Å; F101-V105 HydrophobicContact CE1-CG2 3.63Å; F101-K131 WeakPolarHBondContact O-CE 3.47Å; F101-K131 PolarHBondContact O-NZ 3Å; F101-M174 HydrophobicContact CE1-CE 4.46Å | ||
| 102 | R | 89.1 | Confident | 90.9 | Very high | 230 Ų | 230 | 55.5 Ų | 55.5 | 87% | 0.868 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -80.3 | -31.2 | 178.2 | -68.4 | -174.8 | -179.5 | -174.3 | 0.5 | 112.8 | Y97 | Y97-R102 PolarHBondContact OH-O 2.52Š|
| 103 | R | 90 | Very high | 90.9 | Very high | 211 Ų | 211 | 55.5 Ų | 55.5 | 80% | 0.796 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -137.8 | 153.5 | -179.7 | -61.4 | -175.3 | -179.6 | -152 | 0.3 | 108.6 | Y97 | Y97-R103 VanDerWaalsContact CE2-C 3.42Š|
| 104 | C | 89.4 | Confident | 90.9 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | trans | -62.8 | 148.4 | 169.1 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | Y97 | Y97-C104 HydrophobicContact CD1-CB 3.98Å; Y97-C104 HydrophobicContact CD2-CB 4.4Å; Y97-C104 HydrophobicContact CE1-CB 4.49Å; Y97-C104 HydrophobicContact CG-CB 3.92Å | ||
| 105 | V | 87.1 | Confident | 91 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | trans | -83.2 | 122.5 | 173.1 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | N96 F101 C107 M174 | N96-V105 PolarHBondContact O-N 3.03Å; F101-V105 HydrophobicContact CD1-CG2 3.79Å; F101-V105 HydrophobicContact CE1-CG2 3.63Å; V105-C107 HydrophobicContact CG1-CB 3.7Å; V105-C107 PolarHBondContact O-N 2.75Å; V105-M174 HydrophobicContact CB-CE 4.17Å; V105-M174 HydrophobicContact CB-SD 3.94Å; V105-M174 HydrophobicContact CG1-SD 4.06Å; V105-M174 HydrophobicContact CG2-CE 3.65Å; V105-M174 HydrophobicContact CG2-SD 3.75Å | ||
| 106 | E | 80.4 | Confident | 91 | Very high | 188 Ų | 188 | 55.5 Ų | 55.5 | 88% | 0.879 | 26% | 0.264 | S | S | * | . | trans | -83.2 | 60.7 | 174 | -62.1 | -176.2 | 174.1 | 0 | 0 | 109.4 | ||||
| 107 | C | 70.6 | Confident | 91.1 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -93.3 | 11.5 | -175.7 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | V105 | V105-C107 HydrophobicContact CG1-CB 3.7Å; V105-C107 PolarHBondContact O-N 2.75Å |
| 108 | G | 79.2 | Confident | 91.1 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 84.5 | 7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I324 A325 | G108-I324 CarbonylContact O-C 3.57Å; G108-I324 WeakPolarHBondContact O-CA 3.24Å; G108-I324 WeakPolarHBondContact O-CB 3.42Å; G108-A325 PolarHBondContact O-N 2.67Å |
| 109 | S | 89.5 | Confident | 91.1 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -140 | 148.3 | 168.6 | -178 | 0 | 0 | 0 | 0 | 111.4 | N96 T111 Q171 D172 | N96-S109 WeakPolarHBondContact CB-O 3.21Å; N96-S109 PolarHBondContact ND2-O 2.83Å; S109-T111 PolarHBondContact OG-N 2.7Å; S109-T111 VanDerWaalsContact OG-N 3.1Å; S109-Q171 WeakPolarHBondContact CB-O 3.46Å; S109-Q171 PolarHBondContact OG-O 3.02Å; S109-D172 WeakPolarHBondContact CB-O 3.21Å; S109-D172 PolarHBondContact OG-O 2.78Å |
| 110 | N | 93 | Very high | 91.1 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | trans | -107.1 | 6.5 | 171.6 | -73.3 | -13.2 | 0 | 0 | 0 | 112.6 | N96 R112 I314 | N96-N110 PolarHBondContact ND2-OD1 2.88Å; N110-R112 WeakPolarHBondContact O-CG 3.3Å; N110-I314 VanDerWaalsContact C-CD1 3.49Å; N110-I314 HydrophobicContact CB-CB 4.33Å; N110-I314 HydrophobicContact CB-CD1 3.67Å; N110-I314 WeakPolarHBondContact CB-O 3.01Å; N110-I314 PolarHBondContact ND2-O 3.13Å; N110-I314 WeakPolarHBondContact O-CB 3.14Å | ||
| 111 | T | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -67.5 | 136.5 | -167.4 | -79.7 | 0 | 0 | 0 | 0 | 111.6 | F94 S95 S109 L168 Q171 P173 I314 | F94-T111 HydrophobicContact CD2-CG2 3.65Å; F94-T111 HydrophobicContact CE2-CG2 3.39Å; F94-T111 HydrophobicContact CZ-CG2 4.49Å; S95-T111 WeakPolarHBondContact CA-O 3.28Å; S109-T111 PolarHBondContact OG-N 2.7Å; S109-T111 VanDerWaalsContact OG-N 3.1Å; T111-L168 HydrophobicContact CG2-CD2 4.28Å; T111-Q171 HydrophobicContact CG2-CB 4.06Å; T111-Q171 WeakPolarHBondContact OG1-CB 3.2Å; T111-Q171 PolarHBondContact OG1-OE1 2.82Å; T111-P173 HydrophobicContact CG2-CB 4.03Å; T111-I314 VanDerWaalsContact OG1-CD1 3.3Å; T111-I314 WeakPolarHBondContact OG1-CD1 3.16Å | ||
| 112 | R | 96.4 | Very high | 91.6 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -140.5 | 139.6 | -178.3 | -44.4 | 175.6 | 179.5 | 175.1 | -7.6 | 111.5 | F94 N96 N110 H127 T128 V129 D130 | F94-R112 CarbonylContact O-C 3.52Å; F94-R112 VanDerWaalsContact O-CA 3.24Å; F94-R112 WeakPolarHBondContact O-CA 3.25Å; N96-R112 PolarHBondContact OD1-NE 2.89Å; N96-R112 PolarHBondContact OD1-NH2 3.38Å; N96-R112 VanDerWaalsContact OD1-NH2 3.1Å; N110-R112 WeakPolarHBondContact O-CG 3.3Å; R112-H127 WeakPolarHBondContact CB-O 3.44Å; R112-H127 PolarHBondContact O-N 3.27Å; R112-T128 PolarHBondContact NH1-O 2.82Å; R112-V129 PolarHBondContact NH1-O 3.39Å; R112-D130 IonicContact CZ-OD1 3.13Å; R112-D130 IonicContact NH1-OD1 3.94Å; R112-D130 PolarHBondContact NH1-OD1 2.03Å; R112-D130 IonicContact NH2-OD1 3.72Å; R112-D130 PolarHBondContact NH2-OD1 2.79Å | ||
| 113 | G | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F94 L125 | F94-G113 VanDerWaalsContact CE2-CA 3.46Å; F94-G113 PolarHBondContact N-O 3.1Å; F94-G113 PolarHBondContact O-N 2.67Å; G113-L125 CarbonylContact C-O 3.55Å; G113-L125 WeakPolarHBondContact CA-O 3.42Å |
| 114 | V | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 133 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 109 | I91 I92 A93 W123 L125 P133 F135 | I91-V114 HydrophobicContact CD1-CG1 3.69Å; I91-V114 HydrophobicContact CG1-CG1 3.64Å; I92-V114 CarbonylContact O-C 3.52Å; I92-V114 VanDerWaalsContact O-CA 3.31Å; I92-V114 WeakPolarHBondContact O-CA 3.41Å; A93-V114 HydrophobicContact CB-CG1 4.37Å; A93-V114 HydrophobicContact CB-CG2 4.08Å; V114-W123 HydrophobicContact CB-CH2 4.02Å; V114-W123 HydrophobicContact CB-CZ3 3.78Å; V114-W123 HydrophobicContact CG1-CH2 3.53Å; V114-W123 HydrophobicContact CG1-CZ3 3.74Å; V114-W123 WeakPolarHBondContact O-CZ3 3.21Å; V114-L125 HydrophobicContact CB-CB 4.23Å; V114-L125 HydrophobicContact CB-CD1 4.35Å; V114-L125 PolarHBondContact N-O 2.93Å; V114-L125 PolarHBondContact O-N 2.95Å; V114-P133 HydrophobicContact CG2-CG 3.66Å; V114-F135 HydrophobicContact CG1-CE2 4.14Å; V114-F135 HydrophobicContact CG1-CZ 4.02Å; V114-F135 HydrophobicContact CG2-CE2 4.13Å; V114-F135 HydrophobicContact CG2-CZ 4.41Å |
| 115 | L | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.7 | 166.9 | -67.4 | 170.7 | 0 | 0 | 0 | 107.5 | I91 I92 F94 W117 F124 Y161 L164 L168 L196 | I91-L115 CarbonylContact C-O 3.6Å; I91-L115 VanDerWaalsContact CA-O 3.25Å; I91-L115 WeakPolarHBondContact CA-O 3.48Å; I91-L115 VanDerWaalsContact CG1-O 3.24Å; I91-L115 WeakPolarHBondContact CG1-O 3.18Å; I92-L115 HydrophobicContact CB-CB 4.42Å; I92-L115 HydrophobicContact CD1-CD1 4.5Å; I92-L115 PolarHBondContact N-O 3.46Å; I92-L115 PolarHBondContact O-N 3.1Å; F94-L115 HydrophobicContact CE1-CG 4.39Å; L115-W117 HydrophobicContact CB-CE3 4.14Å; L115-W117 HydrophobicContact CB-CZ3 3.91Å; L115-F124 HydrophobicContact CD2-CB 3.99Å; L115-F124 HydrophobicContact CD2-CD2 3.33Å; L115-F124 HydrophobicContact CD2-CE2 4.08Å; L115-F124 HydrophobicContact CD2-CG 3.96Å; L115-F124 HydrophobicContact CG-CD2 4.12Å; L115-Y161 HydrophobicContact CB-CE1 4.02Å; L115-Y161 HydrophobicContact CD2-CD1 4.37Å; L115-Y161 HydrophobicContact CD2-CE1 3.98Å; L115-L164 HydrophobicContact CD2-CD1 4.08Å; L115-L168 HydrophobicContact CD1-CD1 3.66Å; L115-L168 HydrophobicContact CG-CD1 4.36Å; L115-L196 HydrophobicContact CD1-CD2 3.65Å |
| 116 | G | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | N90 G122 W123 Y161 | N90-G116 WeakPolarHBondContact O-CA 3.32Å; G116-G122 CarbonylContact O-C 3.53Å; G116-G122 WeakPolarHBondContact O-CA 3.39Å; G116-W123 PolarHBondContact N-O 2.9Å; G116-W123 PolarHBondContact O-N 3.01Å; G116-Y161 PolarHBondContact O-OH 3Å; G116-Y161 VanDerWaalsContact O-OH 3.08Å |
| 117 | W | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 155.4 | -177.5 | 72.5 | 101.8 | 0 | 0 | 0 | 113.9 | N90 I92 L115 N121 V158 Y161 N188 L190 L196 | N90-W117 HydrophobicContact CB-CD2 3.51Å; N90-W117 HydrophobicContact CB-CE3 3.82Å; N90-W117 HydrophobicContact CB-CG 4.13Å; N90-W117 HydrophobicContact CB-CH2 3.64Å; N90-W117 HydrophobicContact CB-CZ2 3.3Å; N90-W117 HydrophobicContact CB-CZ3 3.89Å; N90-W117 PolarHBondContact N-O 3.46Å; N90-W117 PolarHBondContact ND2-NE1 3.02Å; N90-W117 PolarHBondContact ND2-O 3.19Å; N90-W117 PolarHBondContact O-N 3.36Å; I92-W117 HydrophobicContact CD1-CH2 4.02Å; I92-W117 HydrophobicContact CD1-CZ3 4.4Å; I92-W117 HydrophobicContact CG1-CH2 3.91Å; I92-W117 HydrophobicContact CG1-CZ3 4.05Å; L115-W117 HydrophobicContact CB-CE3 4.14Å; L115-W117 HydrophobicContact CB-CZ3 3.91Å; W117-N121 CarbonylContact C-O 3.58Å; W117-N121 VanDerWaalsContact CA-O 3.28Å; W117-N121 WeakPolarHBondContact CA-O 3.02Å; W117-V158 HydrophobicContact CB-CG2 4.42Å; W117-Y161 HydrophobicContact CB-CD1 4.33Å; W117-Y161 HydrophobicContact CB-CE1 3.69Å; W117-Y161 HydrophobicContact CB-CE2 4.44Å; W117-Y161 AromaticContact CD2-CD1 3.7Å; W117-Y161 HydrophobicContact CD2-CD1 3.7Å; W117-Y161 AromaticContact CD2-CE1 3.62Å; W117-Y161 HydrophobicContact CD2-CE1 3.62Å; W117-Y161 AromaticContact CE3-CD1 3.74Å; W117-Y161 HydrophobicContact CE3-CD1 3.74Å; W117-Y161 AromaticContact CE3-CE1 3.42Å; W117-Y161 HydrophobicContact CE3-CE1 3.42Å; W117-Y161 VanDerWaalsContact CE3-CE1 3.42Å; W117-Y161 AromaticContact CG-CD1 3.99Å; W117-Y161 HydrophobicContact CG-CD1 3.99Å; W117-Y161 AromaticContact CG-CE1 3.77Å; W117-Y161 HydrophobicContact CG-CE1 3.77Å; W117-Y161 HydrophobicContact CZ3-CD1 4.35Å; W117-Y161 HydrophobicContact CZ3-CE1 4.29Å; W117-N188 PolarHBondContact NE1-O 2.86Å; W117-L190 HydrophobicContact CH2-CD1 4.08Å; W117-L190 HydrophobicContact CZ2-CB 4.39Å; W117-L190 HydrophobicContact CZ2-CD1 4.43Å; W117-L196 HydrophobicContact CH2-CD1 3.63Å; W117-L196 HydrophobicContact CZ2-CD1 3.65Å; W117-L196 HydrophobicContact CZ3-CD1 4.23Å |
| 118 | T | 95.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 15 Ų | 15 | 11% | 0.11 | 9% | 0.085 | C | C | . | . | trans | -110.1 | -169.2 | 165.8 | 65.5 | 0 | 0 | 0 | 0 | 109.2 | L24 Y89 D120 N121 | L24-T118 HydrophobicContact CB-CG2 4.26Å; L24-T118 HydrophobicContact CD2-CG2 3.95Å; Y89-T118 HydrophobicContact CD1-CG2 3.35Å; Y89-T118 HydrophobicContact CE1-CG2 3.35Å; T118-D120 PolarHBondContact O-N 2.94Å; T118-D120 PolarHBondContact OG1-N 3.43Å; T118-N121 PolarHBondContact N-O 2.86Å; T118-N121 PolarHBondContact OG1-N 2.86Å; T118-N121 PolarHBondContact OG1-O 2.84Å | ||
| 119 | D | 95.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 13.8 Ų | 13.8 | 10% | 0.096 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -59.6 | -34 | 172.2 | -71.7 | -37.6 | 0 | 0 | 0 | 113.1 | K183 K187 N188 | D119-K183 WeakPolarHBondContact OD2-CE 3.32Å; D119-K183 IonicContact OD2-NZ 2.72Å; D119-K183 PolarHBondContact OD2-NZ 3.25Å; D119-K187 PolarHBondContact OD1-N 2.91Å; D119-N188 PolarHBondContact O-ND2 3.07Å; D119-N188 PolarHBondContact OD1-N 2.98Å |
| 120 | D | 93.8 | Very high | 96.4 | Very high | 127 Ų | 127 | 16 Ų | 16 | 68% | 0.679 | 9% | 0.085 | S | C | * | . | S | Bend | trans | -110.9 | -29.2 | -167.3 | -55.5 | -56.6 | 0 | 0 | 0 | 113.3 | T118 | T118-D120 PolarHBondContact O-N 2.94Å; T118-D120 PolarHBondContact OG1-N 3.43Å |
| 121 | N | 94.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 18 Ų | 18 | 26% | 0.257 | 9% | 0.091 | S | C | . | . | trans | -135.5 | 154.6 | -169.4 | -65.7 | -73.9 | 0 | 0 | 0 | 111.6 | L24 W117 T118 | L24-N121 HydrophobicContact CB-CB 4.03Å; W117-N121 CarbonylContact C-O 3.58Å; W117-N121 VanDerWaalsContact CA-O 3.28Å; W117-N121 WeakPolarHBondContact CA-O 3.02Å; T118-N121 PolarHBondContact N-O 2.86Å; T118-N121 PolarHBondContact OG1-N 2.86Å; T118-N121 PolarHBondContact OG1-O 2.84Å | ||
| 122 | G | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 167.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L24 G116 A156 Y161 | L24-G122 CarbonylContact O-C 3.55Å; L24-G122 WeakPolarHBondContact O-CA 3.35Å; L24-G122 PolarHBondContact O-N 2.87Å; G116-G122 CarbonylContact O-C 3.53Å; G116-G122 WeakPolarHBondContact O-CA 3.39Å; G122-A156 PolarHBondContact O-N 3.04Å; G122-Y161 VanDerWaalsContact C-OH 3.29Å; G122-Y161 WeakPolarHBondContact CA-OH 3.33Å |
| 123 | W | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 154.3 | 174.9 | 54.9 | -103.6 | 0 | 0 | 0 | 111.1 | L24 L76 L77 F80 V114 G116 L125 I154 Y161 | L24-W123 VanDerWaalsContact CD1-NE1 3.3Å; L76-W123 HydrophobicContact CD1-CB 4.23Å; L76-W123 HydrophobicContact CD1-CD2 3.54Å; L76-W123 VanDerWaalsContact CD1-CE2 3.46Å; L76-W123 HydrophobicContact CD1-CE3 4.35Å; L76-W123 HydrophobicContact CD1-CG 3.42Å; L76-W123 VanDerWaalsContact CD1-CG 3.42Å; L76-W123 HydrophobicContact CD1-CZ2 4.2Å; L76-W123 VanDerWaalsContact CD1-NE1 3.25Å; L76-W123 HydrophobicContact CD2-CD2 4.13Å; L76-W123 HydrophobicContact CD2-CE3 4.14Å; L76-W123 HydrophobicContact CD2-CH2 4.39Å; L76-W123 HydrophobicContact CD2-CZ2 4.33Å; L76-W123 HydrophobicContact CD2-CZ3 4.31Å; L76-W123 HydrophobicContact CG-CD2 3.86Å; L76-W123 HydrophobicContact CG-CE3 4.34Å; L76-W123 HydrophobicContact CG-CG 4.29Å; L76-W123 HydrophobicContact CG-CH2 4.29Å; L76-W123 HydrophobicContact CG-CZ2 3.76Å; L77-W123 HydrophobicContact CD2-CH2 3.58Å; L77-W123 HydrophobicContact CD2-CZ2 3.89Å; F80-W123 HydrophobicContact CD2-CZ2 4.23Å; F80-W123 HydrophobicContact CE2-CH2 4.47Å; F80-W123 AromaticContact CE2-CZ2 3.44Å; F80-W123 HydrophobicContact CE2-CZ2 3.44Å; F80-W123 VanDerWaalsContact CE2-CZ2 3.44Å; F80-W123 AromaticContact CZ-CZ2 3.93Å; F80-W123 HydrophobicContact CZ-CZ2 3.93Å; V114-W123 HydrophobicContact CB-CH2 4.02Å; V114-W123 HydrophobicContact CB-CZ3 3.78Å; V114-W123 HydrophobicContact CG1-CH2 3.53Å; V114-W123 HydrophobicContact CG1-CZ3 3.74Å; V114-W123 WeakPolarHBondContact O-CZ3 3.21Å; G116-W123 PolarHBondContact N-O 2.9Å; G116-W123 PolarHBondContact O-N 3.01Å; W123-L125 HydrophobicContact CE3-CB 4.37Å; W123-L125 HydrophobicContact CE3-CD1 4.24Å; W123-L125 HydrophobicContact CE3-CG 3.73Å; W123-L125 HydrophobicContact CH2-CD1 3.99Å; W123-L125 HydrophobicContact CH2-CG 4.37Å; W123-L125 HydrophobicContact CZ3-CB 3.98Å; W123-L125 HydrophobicContact CZ3-CD1 3.54Å; W123-L125 HydrophobicContact CZ3-CG 3.46Å; W123-L125 VanDerWaalsContact CZ3-CG 3.46Å; W123-I154 CarbonylContact C-O 3.53Å; W123-I154 VanDerWaalsContact CA-O 3.24Å; W123-I154 WeakPolarHBondContact CA-O 3.33Å; W123-Y161 VanDerWaalsContact C-OH 3.25Å; W123-Y161 PolarHBondContact N-OH 2.66Å; W123-Y161 PolarHBondContact O-OH 2.83Å |
| 124 | F | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.6 | 174.7 | 169.7 | -124 | 0 | 0 | 0 | 109.6 | F94 L115 F126 C153 I154 I228 L329 | F94-F124 HydrophobicContact CZ-CE2 4Å; L115-F124 HydrophobicContact CD2-CB 3.99Å; L115-F124 HydrophobicContact CD2-CD2 3.33Å; L115-F124 HydrophobicContact CD2-CE2 4.08Å; L115-F124 HydrophobicContact CD2-CG 3.96Å; L115-F124 HydrophobicContact CG-CD2 4.12Å; F124-F126 HydrophobicContact CE1-CB 4.02Å; F124-F126 HydrophobicContact CE1-CD2 4.35Å; F124-F126 HydrophobicContact CZ-CB 4.02Å; F124-F126 AromaticContact CZ-CD2 3.85Å; F124-F126 HydrophobicContact CZ-CD2 3.85Å; F124-F126 HydrophobicContact CZ-CG 4.44Å; F124-C153 WeakPolarHBondContact O-CA 3.46Å; F124-I154 PolarHBondContact N-O 2.92Å; F124-I154 PolarHBondContact O-N 3.46Å; F124-I228 HydrophobicContact CE1-CD1 3.83Å; F124-L329 HydrophobicContact CE1-CD1 4.43Å |
| 125 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.1 | 169.8 | -75.1 | 175.9 | 0 | 0 | 0 | 110.3 | L76 L77 G113 V114 W123 W132 I151 V152 C153 | L76-L125 HydrophobicContact CD2-CD1 3.67Å; L76-L125 HydrophobicContact CD2-CD2 3.74Å; L76-L125 HydrophobicContact CD2-CG 3.8Å; L77-L125 HydrophobicContact CD2-CD1 4.26Å; G113-L125 CarbonylContact C-O 3.55Å; G113-L125 WeakPolarHBondContact CA-O 3.42Å; V114-L125 HydrophobicContact CB-CB 4.23Å; V114-L125 HydrophobicContact CB-CD1 4.35Å; V114-L125 PolarHBondContact N-O 2.93Å; V114-L125 PolarHBondContact O-N 2.95Å; W123-L125 HydrophobicContact CE3-CB 4.37Å; W123-L125 HydrophobicContact CE3-CD1 4.24Å; W123-L125 HydrophobicContact CE3-CG 3.73Å; W123-L125 HydrophobicContact CH2-CD1 3.99Å; W123-L125 HydrophobicContact CH2-CG 4.37Å; W123-L125 HydrophobicContact CZ3-CB 3.98Å; W123-L125 HydrophobicContact CZ3-CD1 3.54Å; W123-L125 HydrophobicContact CZ3-CG 3.46Å; W123-L125 VanDerWaalsContact CZ3-CG 3.46Å; L125-W132 HydrophobicContact CD1-CH2 4.08Å; L125-I151 HydrophobicContact CD2-CG2 3.84Å; L125-V152 WeakPolarHBondContact CA-O 3.28Å; L125-C153 HydrophobicContact CD2-CB 3.56Å |
| 126 | F | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.3 | 165.1 | -167 | -93.7 | 0 | 0 | 0 | 108.6 | F124 I151 V152 V312 I314 G327 L329 | F124-F126 HydrophobicContact CE1-CB 4.02Å; F124-F126 HydrophobicContact CE1-CD2 4.35Å; F124-F126 HydrophobicContact CZ-CB 4.02Å; F124-F126 AromaticContact CZ-CD2 3.85Å; F124-F126 HydrophobicContact CZ-CD2 3.85Å; F124-F126 HydrophobicContact CZ-CG 4.44Å; F126-I151 CarbonylContact O-C 3.55Å; F126-V152 PolarHBondContact N-O 2.89Å; F126-V152 PolarHBondContact O-N 3.31Å; F126-V312 HydrophobicContact CD1-CB 4.08Å; F126-V312 HydrophobicContact CD1-CG1 4.04Å; F126-V312 HydrophobicContact CE1-CB 4.15Å; F126-V312 HydrophobicContact CE1-CG1 4.02Å; F126-V312 WeakPolarHBondContact CE1-O 3.49Å; F126-I314 HydrophobicContact CE1-CG2 3.79Å; F126-I314 HydrophobicContact CE2-CG2 4.42Å; F126-I314 HydrophobicContact CZ-CB 4.41Å; F126-I314 HydrophobicContact CZ-CG1 4.11Å; F126-I314 HydrophobicContact CZ-CG2 3.61Å; F126-G327 WeakPolarHBondContact CZ-O 3.12Å; F126-L329 HydrophobicContact CB-CB 4.26Å; F126-L329 HydrophobicContact CB-CD2 3.63Å; F126-L329 HydrophobicContact CD1-CB 3.96Å; F126-L329 HydrophobicContact CD2-CB 4.3Å; F126-L329 HydrophobicContact CE1-CB 4.35Å; F126-L329 HydrophobicContact CG-CB 3.91Å; F126-L329 HydrophobicContact CG-CD2 4.21Å |
| 127 | H | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 163.1 | -175.1 | 70.2 | 86.9 | 0 | 0 | 0 | 114.6 | R112 V129 W132 L150 I151 | R112-H127 WeakPolarHBondContact CB-O 3.44Å; R112-H127 PolarHBondContact O-N 3.27Å; H127-V129 HydrophobicContact CB-CG2 4.29Å; H127-V129 PolarHBondContact CE1-O 3.43Å; H127-V129 PolarHBondContact ND1-N 3.19Å; H127-V129 PolarHBondContact ND1-O 2.92Å; H127-W132 HydrophobicContact CB-CZ3 4.43Å; H127-W132 AromaticContact CD2-CZ3 3.82Å; H127-W132 AromaticContact CE1-CE3 3.95Å; H127-W132 PolarHBondContact CE1-O 3.42Å; H127-W132 AromaticContact CG-CZ3 3.99Å; H127-W132 AromaticContact NE2-CE3 3.99Å; H127-L150 CarbonylContact C-O 3.45Å; H127-L150 WeakPolarHBondContact CA-O 3.24Å; H127-I151 HydrophobicContact CB-CB 4.27Å; H127-I151 HydrophobicContact CB-CG1 3.92Å; H127-I151 HydrophobicContact CB-CG2 4.23Å |
| 128 | T | 96.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | trans | -111.9 | 4.7 | 174.1 | 74.7 | 0 | 0 | 0 | 0 | 113 | R112 N149 L150 T295 V312 | R112-T128 PolarHBondContact NH1-O 2.82Å; T128-N149 PolarHBondContact O-OD1 3.46Å; T128-N149 VanDerWaalsContact OG1-CA 3.29Å; T128-N149 WeakPolarHBondContact OG1-CA 3.36Å; T128-N149 WeakPolarHBondContact OG1-CB 3.29Å; T128-L150 PolarHBondContact N-O 3.02Å; T128-L150 PolarHBondContact OG1-N 3.02Å; T128-T295 PolarHBondContact O-OG1 3.38Å; T128-T295 VanDerWaalsContact O-OG1 3.13Å; T128-T295 PolarHBondContact OG1-OG1 3.4Å; T128-T295 VanDerWaalsContact OG1-OG1 3.07Å; T128-V312 HydrophobicContact CG2-CG1 3.96Å | ||
| 129 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -64 | 132.4 | 179.7 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | R112 H127 W132 P143 P144 N149 I151 | R112-V129 PolarHBondContact NH1-O 3.39Å; H127-V129 HydrophobicContact CB-CG2 4.29Å; H127-V129 PolarHBondContact CE1-O 3.43Å; H127-V129 PolarHBondContact ND1-N 3.19Å; H127-V129 PolarHBondContact ND1-O 2.92Å; V129-W132 HydrophobicContact CB-CB 4.21Å; V129-W132 HydrophobicContact CB-CE3 4.1Å; V129-W132 HydrophobicContact CG1-CB 3.58Å; V129-W132 HydrophobicContact CG1-CD2 4.44Å; V129-W132 HydrophobicContact CG1-CE3 4.45Å; V129-W132 HydrophobicContact CG1-CG 4.1Å; V129-W132 HydrophobicContact CG2-CE3 4.18Å; V129-P143 HydrophobicContact CG1-CB 4.07Å; V129-P143 HydrophobicContact CG2-CB 4.47Å; V129-P144 HydrophobicContact CG1-CG 4.35Å; V129-N149 HydrophobicContact CB-CB 4.42Å; V129-N149 HydrophobicContact CG2-CB 3.71Å; V129-I151 HydrophobicContact CG2-CD1 3.76Å; V129-I151 HydrophobicContact CG2-CG1 3.65Å | ||
| 130 | D | 95 | Very high | 95.3 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -80.1 | 143.8 | 170.5 | -68.4 | -33.6 | 0 | 0 | 0 | 110.7 | Y97 R112 W132 | Y97-D130 HydrophobicContact CD1-CB 3.9Å; Y97-D130 WeakPolarHBondContact CD1-OD1 3.38Å; Y97-D130 HydrophobicContact CE1-CB 4.28Å; R112-D130 IonicContact CZ-OD1 3.13Å; R112-D130 IonicContact NH1-OD1 3.94Å; R112-D130 PolarHBondContact NH1-OD1 2.03Å; R112-D130 IonicContact NH2-OD1 3.72Å; R112-D130 PolarHBondContact NH2-OD1 2.79Å; D130-W132 VanDerWaalsContact C-N 3.32Å; D130-W132 PolarHBondContact O-N 3.38Å |
| 131 | K | 95.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 31.8 Ų | 31.8 | 38% | 0.378 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 57.9 | 36.2 | 171.9 | -55.7 | -174.8 | -178.2 | -165.5 | 0 | 115 | Y97 F101 | Y97-K131 HydrophobicContact CD2-CG 4.01Å; Y97-K131 HydrophobicContact CE2-CD 4.26Å; Y97-K131 HydrophobicContact CE2-CG 3.91Å; Y97-K131 HydrophobicContact CG-CG 4.43Å; Y97-K131 WeakPolarHBondContact O-CA 3.39Å; Y97-K131 PolarHBondContact O-N 2.94Å; Y97-K131 WeakPolarHBondContact OH-CE 3.04Å; Y97-K131 PolarHBondContact OH-NZ 3.15Å; F101-K131 WeakPolarHBondContact O-CE 3.47Å; F101-K131 PolarHBondContact O-NZ 3Å |
| 132 | W | 97.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | trans | -151.8 | 153.1 | -177 | -178.1 | 85.5 | 0 | 0 | 0 | 111.2 | I73 L77 L125 H127 V129 D130 A141 P143 I151 | I73-W132 HydrophobicContact CG2-CH2 4.1Å; I73-W132 HydrophobicContact CG2-CZ2 3.67Å; L77-W132 HydrophobicContact CD1-CH2 4.1Å; L77-W132 HydrophobicContact CD1-CZ2 3.52Å; L125-W132 HydrophobicContact CD1-CH2 4.08Å; H127-W132 HydrophobicContact CB-CZ3 4.43Å; H127-W132 AromaticContact CD2-CZ3 3.82Å; H127-W132 AromaticContact CE1-CE3 3.95Å; H127-W132 PolarHBondContact CE1-O 3.42Å; H127-W132 AromaticContact CG-CZ3 3.99Å; H127-W132 AromaticContact NE2-CE3 3.99Å; V129-W132 HydrophobicContact CB-CB 4.21Å; V129-W132 HydrophobicContact CB-CE3 4.1Å; V129-W132 HydrophobicContact CG1-CB 3.58Å; V129-W132 HydrophobicContact CG1-CD2 4.44Å; V129-W132 HydrophobicContact CG1-CE3 4.45Å; V129-W132 HydrophobicContact CG1-CG 4.1Å; V129-W132 HydrophobicContact CG2-CE3 4.18Å; D130-W132 VanDerWaalsContact C-N 3.32Å; D130-W132 PolarHBondContact O-N 3.38Å; W132-A141 PolarHBondContact NE1-O 2.64Å; W132-P143 HydrophobicContact CD2-CG 4.06Å; W132-P143 HydrophobicContact CG-CB 4.48Å; W132-P143 HydrophobicContact CG-CG 4.41Å; W132-P143 HydrophobicContact CZ2-CG 3.99Å; W132-I151 HydrophobicContact CH2-CD1 4.41Å; W132-I151 HydrophobicContact CZ3-CD1 4.34Å | ||
| 133 | P | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | cis | -78 | 162.1 | -13.2 | 30.6 | -35.3 | 0 | 0 | 0 | 114.1 | L77 P99 V114 F135 Y176 | L77-P133 HydrophobicContact CD1-CB 4Å; P99-P133 WeakPolarHBondContact CD-O 2.98Å; P99-P133 VanDerWaalsContact CG-C 3.49Å; P99-P133 WeakPolarHBondContact CG-O 3.48Å; V114-P133 HydrophobicContact CG2-CG 3.66Å; P133-F135 HydrophobicContact CB-CE2 4.15Å; P133-F135 HydrophobicContact CB-CZ 4.2Å; P133-F135 HydrophobicContact CG-CD2 4.2Å; P133-F135 HydrophobicContact CG-CE2 3.39Å; P133-F135 HydrophobicContact CG-CZ 3.68Å; P133-Y176 VanDerWaalsContact CD-OH 3.28Å; P133-Y176 WeakPolarHBondContact CD-OH 3.48Å; P133-Y176 PolarHBondContact O-OH 3.07Å | ||
| 134 | D | 96 | Very high | 95.5 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | trans | -106.9 | 92.1 | -178.3 | -171.4 | -0.9 | 0 | 0 | 0 | 113.1 | F81 P99 S136 K137 | F81-D134 VanDerWaalsContact CE1-O 3.27Å; F81-D134 WeakPolarHBondContact CE1-O 3.33Å; P99-D134 HydrophobicContact CB-CB 3.77Å; P99-D134 HydrophobicContact CG-CB 3.71Å; D134-S136 VanDerWaalsContact C-N 3.26Å; D134-S136 PolarHBondContact O-N 3.17Å; D134-S136 WeakPolarHBondContact OD1-CB 3.47Å; D134-S136 PolarHBondContact OD1-N 3.11Å; D134-S136 PolarHBondContact OD1-OG 2.78Å; D134-K137 HydrophobicContact CB-CD 4.3Å; D134-K137 HydrophobicContact CB-CG 4.47Å; D134-K137 VanDerWaalsContact OD2-CE 3.24Å; D134-K137 WeakPolarHBondContact OD2-CE 3.35Å | ||
| 135 | F | 94.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.5 | 177.8 | -65.6 | -68 | 0 | 0 | 0 | 114.7 | L77 F80 F81 I91 A93 V114 P133 K137 Y176 Y177 | L77-F135 HydrophobicContact CD2-CE1 4.23Å; L77-F135 HydrophobicContact CD2-CZ 3.94Å; F80-F135 HydrophobicContact CB-CD1 4.32Å; F80-F135 HydrophobicContact CB-CE1 4.06Å; F81-F135 HydrophobicContact CE1-CD1 4.05Å; F81-F135 AromaticContact CZ-CD1 3.93Å; F81-F135 HydrophobicContact CZ-CD1 3.93Å; F81-F135 HydrophobicContact CZ-CE1 4.19Å; I91-F135 HydrophobicContact CD1-CD1 3.94Å; I91-F135 HydrophobicContact CD1-CD2 4.26Å; I91-F135 HydrophobicContact CD1-CE1 3.29Å; I91-F135 HydrophobicContact CD1-CE2 3.62Å; I91-F135 HydrophobicContact CD1-CG 4.4Å; I91-F135 HydrophobicContact CD1-CZ 3.12Å; I91-F135 HydrophobicContact CG1-CZ 4.45Å; A93-F135 HydrophobicContact CB-CD2 3.72Å; A93-F135 HydrophobicContact CB-CE2 3.5Å; A93-F135 VanDerWaalsContact CB-CE2 3.5Å; V114-F135 HydrophobicContact CG1-CE2 4.14Å; V114-F135 HydrophobicContact CG1-CZ 4.02Å; V114-F135 HydrophobicContact CG2-CE2 4.13Å; V114-F135 HydrophobicContact CG2-CZ 4.41Å; P133-F135 HydrophobicContact CB-CE2 4.15Å; P133-F135 HydrophobicContact CB-CZ 4.2Å; P133-F135 HydrophobicContact CG-CD2 4.2Å; P133-F135 HydrophobicContact CG-CE2 3.39Å; P133-F135 HydrophobicContact CG-CZ 3.68Å; F135-K137 VanDerWaalsContact C-N 3.28Å; F135-Y176 HydrophobicContact CD2-CE2 4.33Å; F135-Y177 HydrophobicContact CB-CD1 3.41Å; F135-Y177 VanDerWaalsContact CB-CD1 3.41Å; F135-Y177 HydrophobicContact CB-CD2 3.82Å; F135-Y177 HydrophobicContact CB-CE1 3.46Å; F135-Y177 VanDerWaalsContact CB-CE1 3.46Å; F135-Y177 HydrophobicContact CB-CE2 3.87Å; F135-Y177 HydrophobicContact CB-CG 3.6Å; F135-Y177 HydrophobicContact CD1-CE1 4.41Å; F135-Y177 AromaticContact CD2-CD1 3.83Å; F135-Y177 HydrophobicContact CD2-CD1 3.83Å; F135-Y177 HydrophobicContact CD2-CE1 4.47Å; F135-Y177 HydrophobicContact CD2-CG 4.23Å; F135-Y177 AromaticContact CG-CD1 3.69Å; F135-Y177 HydrophobicContact CG-CD1 3.69Å; F135-Y177 AromaticContact CG-CE1 3.9Å; F135-Y177 HydrophobicContact CG-CE1 3.9Å; F135-Y177 HydrophobicContact CG-CG 4.22Å |
| 136 | S | 90.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 58% | 0.58 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.7 | 172.4 | 73.8 | 0 | 0 | 0 | 0 | 113 | D134 | D134-S136 VanDerWaalsContact C-N 3.26Å; D134-S136 PolarHBondContact O-N 3.17Å; D134-S136 WeakPolarHBondContact OD1-CB 3.47Å; D134-S136 PolarHBondContact OD1-N 3.11Å; D134-S136 PolarHBondContact OD1-OG 2.78Å |
| 137 | K | 90.2 | Very high | 95.2 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -78.3 | 168.7 | 177.2 | -67.4 | -177.7 | 175.5 | 179.5 | 0 | 112 | F81 D134 F135 A141 | F81-K137 VanDerWaalsContact CD1-O 3.32Å; F81-K137 WeakPolarHBondContact CD1-O 3.3Å; F81-K137 HydrophobicContact CE1-CB 4.45Å; D134-K137 HydrophobicContact CB-CD 4.3Å; D134-K137 HydrophobicContact CB-CG 4.47Å; D134-K137 VanDerWaalsContact OD2-CE 3.24Å; D134-K137 WeakPolarHBondContact OD2-CE 3.35Å; F135-K137 VanDerWaalsContact C-N 3.28Å; K137-A141 HydrophobicContact CD-CB 4Å |
| 138 | T | 89.9 | Confident | 95.2 | Very high | 119 Ų | 119 | 41.5 Ų | 41.5 | 73% | 0.73 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -99.2 | -5 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | F81 | F81-T138 WeakPolarHBondContact CB-O 3.34Š|
| 139 | T | 93.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 58% | 0.577 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -142.4 | 155.9 | 178.9 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | A141 | T139-A141 PolarHBondContact O-N 3.45Š|
| 140 | F | 94.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | trans | -56.6 | 134 | 175.8 | 166.4 | -110.4 | 0 | 0 | 0 | 111.8 | L66 A69 I73 L77 F81 A142 | L66-F140 WeakPolarHBondContact O-CE1 3.49Å; L66-F140 WeakPolarHBondContact O-CZ 3.32Å; A69-F140 HydrophobicContact CB-CD1 4.48Å; I73-F140 HydrophobicContact CB-CZ 4.42Å; I73-F140 HydrophobicContact CG2-CE2 3.83Å; I73-F140 HydrophobicContact CG2-CZ 3.98Å; L77-F140 HydrophobicContact CB-CD2 4.01Å; L77-F140 HydrophobicContact CD1-CD2 4.05Å; L77-F140 HydrophobicContact CD1-CE2 3.92Å; F81-F140 HydrophobicContact CD2-CB 4.29Å; F81-F140 HydrophobicContact CE2-CB 4.05Å; F140-A142 HydrophobicContact CE1-CB 4.21Å; F140-A142 HydrophobicContact CZ-CB 4.04Å | ||
| 141 | A | 96.2 | Very high | 95.5 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | trans | -120 | 126.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | W132 K137 T139 | W132-A141 PolarHBondContact NE1-O 2.64Å; K137-A141 HydrophobicContact CD-CB 4Å; T139-A141 PolarHBondContact O-N 3.45Å | ||
| 142 | A | 97.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 158.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L66 T67 F140 | L66-A142 WeakPolarHBondContact O-CB 3.15Å; T67-A142 HydrophobicContact CG2-CB 4.32Å; F140-A142 HydrophobicContact CE1-CB 4.21Å; F140-A142 HydrophobicContact CZ-CB 4.04Å |
| 143 | P | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -47.9 | 136.4 | 167.4 | -28.9 | 36.8 | 0 | 0 | 0 | 111.2 | Q46 L66 V129 W132 I151 | Q46-P143 PolarHBondContact NE2-O 2.94Å; L66-P143 HydrophobicContact CD1-CB 4.47Å; L66-P143 HydrophobicContact CD1-CG 4.09Å; V129-P143 HydrophobicContact CG1-CB 4.07Å; V129-P143 HydrophobicContact CG2-CB 4.47Å; W132-P143 HydrophobicContact CD2-CG 4.06Å; W132-P143 HydrophobicContact CG-CB 4.48Å; W132-P143 HydrophobicContact CG-CG 4.41Å; W132-P143 HydrophobicContact CZ2-CG 3.99Å; P143-I151 HydrophobicContact CG-CD1 3.83Å |
| 144 | P | 96.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 34.9 Ų | 34.9 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 149.9 | -178.4 | 25.6 | -34.2 | 0 | 0 | 0 | 111.4 | Q41 V129 G146 | Q41-P144 PolarHBondContact NE2-O 2.84Å; V129-P144 HydrophobicContact CG1-CG 4.35Å; P144-G146 PolarHBondContact O-N 2.72Å |
| 145 | A | 96.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -71.3 | 61.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T45 Q46 | T45-A145 WeakPolarHBondContact O-CA 3.32Å; Q46-A145 HydrophobicContact CG-CB 3.89Å |
| 146 | G | 95 | Very high | 95.9 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 36% | 0.361 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -107.2 | -126.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S44 P144 | S44-G146 PolarHBondContact N-O 3.36Å; P144-G146 PolarHBondContact O-N 2.72Å |
| 147 | K | 96 | Very high | 96 | Very high | 92 Ų | 92 | 33.9 Ų | 33.9 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -78.2 | 164.1 | 175.5 | -70.7 | 178.2 | -178.8 | 178.4 | 0 | 110.8 | N149 R292 Q293 T295 | K147-N149 PolarHBondContact O-ND2 2.94Å; K147-R292 WeakPolarHBondContact CE-O 2.89Å; K147-Q293 CarbonylContact C-O 3.59Å; K147-Q293 VanDerWaalsContact CA-O 3.31Å; K147-Q293 WeakPolarHBondContact CA-O 3.16Å; K147-Q293 WeakPolarHBondContact CB-O 3.44Å; K147-T295 HydrophobicContact CB-CG2 3.7Å; K147-T295 HydrophobicContact CD-CG2 3.5Å; K147-T295 HydrophobicContact CG-CG2 4.24Å |
| 148 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -57.9 | 141.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y40 Q41 P43 V289 Q293 D294 T295 | Y40-A148 HydrophobicContact CE1-CB 3.84Å; Q41-A148 WeakPolarHBondContact O-CA 3.34Å; Q41-A148 VanDerWaalsContact O-CB 3.29Å; Q41-A148 WeakPolarHBondContact O-CB 3.28Å; P43-A148 HydrophobicContact CG-CB 3.74Å; A148-V289 HydrophobicContact CB-CG1 4.05Å; A148-Q293 PolarHBondContact N-O 2.03Å; A148-D294 HydrophobicContact CB-CB 4.12Å; A148-T295 PolarHBondContact O-N 3.31Å; A148-T295 PolarHBondContact O-OG1 3.24Å |
| 149 | N | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -145.5 | 157.7 | 178.9 | -49.6 | -70.2 | 0 | 0 | 0 | 108.4 | Q41 T128 V129 K147 T295 | Q41-N149 PolarHBondContact N-O 3.25Å; Q41-N149 PolarHBondContact OE1-ND2 2.74Å; T128-N149 PolarHBondContact O-OD1 3.46Å; T128-N149 VanDerWaalsContact OG1-CA 3.29Å; T128-N149 WeakPolarHBondContact OG1-CA 3.36Å; T128-N149 WeakPolarHBondContact OG1-CB 3.29Å; V129-N149 HydrophobicContact CB-CB 4.42Å; V129-N149 HydrophobicContact CG2-CB 3.71Å; K147-N149 PolarHBondContact O-ND2 2.94Å; N149-T295 WeakPolarHBondContact OD1-CG2 3.28Å; N149-T295 PolarHBondContact OD1-OG1 2.84Å | ||
| 150 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.4 | 166.4 | -81.3 | 166.5 | 0 | 0 | 0 | 109.7 | I38 Y39 Y40 H127 T128 W298 F310 V312 F340 | I38-L150 HydrophobicContact CG2-CD2 3.84Å; Y39-L150 CarbonylContact O-C 3.51Å; Y39-L150 WeakPolarHBondContact O-CA 3.19Å; Y40-L150 HydrophobicContact CD2-CD2 3.78Å; Y40-L150 HydrophobicContact CD2-CG 4.03Å; Y40-L150 HydrophobicContact CG-CD2 4.42Å; H127-L150 CarbonylContact C-O 3.45Å; H127-L150 WeakPolarHBondContact CA-O 3.24Å; T128-L150 PolarHBondContact N-O 3.02Å; T128-L150 PolarHBondContact OG1-N 3.02Å; L150-W298 HydrophobicContact CD1-CB 3.89Å; L150-W298 HydrophobicContact CD1-CG 4.15Å; L150-F310 HydrophobicContact CD1-CZ 4.08Å; L150-V312 HydrophobicContact CB-CG1 3.82Å; L150-V312 HydrophobicContact CB-CG2 4.32Å; L150-V312 HydrophobicContact CD1-CG1 4.03Å; L150-V312 HydrophobicContact CD1-CG2 3.91Å; L150-F340 HydrophobicContact CD2-CZ 4.35Å |
| 151 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.8 | 167.7 | -53.7 | 167.8 | 0 | 0 | 0 | 105.8 | Y39 I73 L125 F126 H127 V129 W132 P143 | Y39-I151 HydrophobicContact CD2-CB 3.95Å; Y39-I151 HydrophobicContact CD2-CG2 4.03Å; Y39-I151 WeakPolarHBondContact CD2-O 3.27Å; Y39-I151 PolarHBondContact N-O 3.21Å; Y39-I151 PolarHBondContact O-N 3.27Å; I73-I151 HydrophobicContact CD1-CD1 3.75Å; L125-I151 HydrophobicContact CD2-CG2 3.84Å; F126-I151 CarbonylContact O-C 3.55Å; H127-I151 HydrophobicContact CB-CB 4.27Å; H127-I151 HydrophobicContact CB-CG1 3.92Å; H127-I151 HydrophobicContact CB-CG2 4.23Å; V129-I151 HydrophobicContact CG2-CD1 3.76Å; V129-I151 HydrophobicContact CG2-CG1 3.65Å; W132-I151 HydrophobicContact CH2-CD1 4.41Å; W132-I151 HydrophobicContact CZ3-CD1 4.34Å; P143-I151 HydrophobicContact CG-CD1 3.83Å |
| 152 | V | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.2 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | V37 I38 L125 F126 I154 V312 L329 M331 | V37-V152 WeakPolarHBondContact O-CA 3.28Å; I38-V152 HydrophobicContact CG1-CG1 4.43Å; I38-V152 HydrophobicContact CG1-CG2 4.37Å; I38-V152 HydrophobicContact CG2-CG2 4.28Å; L125-V152 WeakPolarHBondContact CA-O 3.28Å; F126-V152 PolarHBondContact N-O 2.89Å; F126-V152 PolarHBondContact O-N 3.31Å; V152-I154 HydrophobicContact CG1-CD1 3.89Å; V152-I154 HydrophobicContact CG1-CG1 4.27Å; V152-V312 HydrophobicContact CG2-CG2 3.63Å; V152-L329 HydrophobicContact CB-CD2 3.69Å; V152-L329 HydrophobicContact CG1-CD2 3.62Å; V152-L329 HydrophobicContact CG2-CD2 4.3Å; V152-M331 HydrophobicContact CG1-SD 4.19Å |
| 153 | C | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.7 | 171.7 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | C26 W36 V37 F124 L125 | C26-C153 HydrophobicContact CB-CB 3.9Å; C26-C153 WeakPolarHBondContact CB-SG 3.29Å; C26-C153 WeakPolarHBondContact SG-CB 3.48Å; C26-C153 CovalentContact SG-SG 2.03Å; C26-C153 PolarHBondContact SG-SG 3.24Å; W36-C153 CarbonylContact C-O 3.54Å; W36-C153 WeakPolarHBondContact CA-O 3.46Å; W36-C153 WeakPolarHBondContact CB-O 3.45Å; V37-C153 HydrophobicContact CG1-CB 3.72Å; V37-C153 PolarHBondContact N-O 3.09Å; V37-C153 PolarHBondContact O-N 2.84Å; F124-C153 WeakPolarHBondContact O-CA 3.46Å; L125-C153 HydrophobicContact CD2-CB 3.56Å |
| 154 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.2 | 173.8 | -55.4 | -62.3 | 0 | 0 | 0 | 108.7 | C26 W36 W123 F124 V152 A156 F216 V218 V226 L329 M331 | C26-I154 PolarHBondContact SG-N 3.3Å; W36-I154 HydrophobicContact CB-CD1 3.6Å; W36-I154 HydrophobicContact CG-CD1 4.48Å; W123-I154 CarbonylContact C-O 3.53Å; W123-I154 VanDerWaalsContact CA-O 3.24Å; W123-I154 WeakPolarHBondContact CA-O 3.33Å; F124-I154 PolarHBondContact N-O 2.92Å; F124-I154 PolarHBondContact O-N 3.46Å; V152-I154 HydrophobicContact CG1-CD1 3.89Å; V152-I154 HydrophobicContact CG1-CG1 4.27Å; I154-A156 HydrophobicContact CG2-CB 4.45Å; I154-A156 PolarHBondContact O-N 3.07Å; I154-F216 HydrophobicContact CG2-CE2 4.13Å; I154-F216 HydrophobicContact CG2-CZ 4.14Å; I154-V218 HydrophobicContact CG2-CB 4.44Å; I154-V218 HydrophobicContact CG2-CG1 4.16Å; I154-V218 HydrophobicContact CG2-CG2 3.36Å; I154-V226 HydrophobicContact CD1-CG2 4.33Å; I154-L329 HydrophobicContact CG1-CD2 4.35Å; I154-M331 HydrophobicContact CD1-SD 3.79Å |
| 155 | T | 97.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 24 Ų | 24 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.2 | 166.8 | -62.6 | 0 | 0 | 0 | 0 | 107.7 | Q25 C26 I34 S35 | Q25-T155 HydrophobicContact CB-CG2 3.78Å; Q25-T155 HydrophobicContact CG-CG2 3.63Å; C26-T155 WeakPolarHBondContact CB-OG1 2.84Å; C26-T155 PolarHBondContact N-OG1 3Å; C26-T155 PolarHBondContact SG-N 3.36Å; C26-T155 PolarHBondContact SG-OG1 2.85Å; I34-T155 PolarHBondContact O-OG1 3.1Å; S35-T155 WeakPolarHBondContact O-CB 3.23Å; S35-T155 PolarHBondContact O-N 3.42Å |
| 156 | A | 95.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | trans | -125.4 | 132.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110 | G122 I154 V158 Y161 F216 | G122-A156 PolarHBondContact O-N 3.04Å; I154-A156 HydrophobicContact CG2-CB 4.45Å; I154-A156 PolarHBondContact O-N 3.07Å; A156-V158 PolarHBondContact O-N 3.19Å; A156-Y161 HydrophobicContact CB-CE2 4.22Å; A156-F216 HydrophobicContact CB-CE2 4.2Å | ||
| 157 | P | 93.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 22 Ų | 22 | 43% | 0.429 | 14% | 0.135 | S | C | . | . | trans | -57.5 | 140.6 | 173.4 | -21.9 | 32.3 | 0 | 0 | 0 | 110.9 | T159 T160 | P157-T159 PolarHBondContact O-N 2.83Å; P157-T159 VanDerWaalsContact O-N 3.09Å; P157-T160 HydrophobicContact CB-CG2 4.34Å; P157-T160 HydrophobicContact CG-CG2 4.41Å; P157-T160 WeakPolarHBondContact O-CB 3.4Å; P157-T160 PolarHBondContact O-N 3.01Å; P157-T160 PolarHBondContact O-OG1 2.82Å | ||
| 158 | V | 95.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 17.7 Ų | 17.7 | 9% | 0.085 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -57.7 | -29.2 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | W117 A156 T160 Y161 N188 | W117-V158 HydrophobicContact CB-CG2 4.42Å; A156-V158 PolarHBondContact O-N 3.19Å; V158-T160 PolarHBondContact O-N 3.26Å; V158-Y161 VanDerWaalsContact O-CB 3.31Å; V158-Y161 WeakPolarHBondContact O-CB 3.45Å; V158-Y161 WeakPolarHBondContact O-CD2 3.48Å; V158-Y161 PolarHBondContact O-N 3.45Å; V158-N188 HydrophobicContact CG1-CB 3.74Å |
| 159 | T | 95.1 | Very high | 96.5 | Very high | 128 Ų | 128 | 18.6 Ų | 18.6 | 79% | 0.785 | 12% | 0.121 | S | C | * | . | G | 310 helix | trans | -59.4 | -19.8 | 174.3 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | P157 | P157-T159 PolarHBondContact O-N 2.83Å; P157-T159 VanDerWaalsContact O-N 3.09Å |
| 160 | T | 96.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -82.6 | -15.4 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | P157 V158 G162 S163 L164 Y214 F216 | P157-T160 HydrophobicContact CB-CG2 4.34Å; P157-T160 HydrophobicContact CG-CG2 4.41Å; P157-T160 WeakPolarHBondContact O-CB 3.4Å; P157-T160 PolarHBondContact O-N 3.01Å; P157-T160 PolarHBondContact O-OG1 2.82Å; V158-T160 PolarHBondContact O-N 3.26Å; T160-G162 PolarHBondContact O-N 3.17Å; T160-S163 PolarHBondContact O-N 3.37Å; T160-S163 VanDerWaalsContact O-N 3.14Å; T160-L164 WeakPolarHBondContact O-CG 3.2Å; T160-L164 PolarHBondContact O-N 3.25Å; T160-Y214 WeakPolarHBondContact CB-OH 3.29Å; T160-Y214 WeakPolarHBondContact CG2-OH 3.22Å; T160-F216 HydrophobicContact CG2-CB 4.37Å; T160-F216 HydrophobicContact CG2-CD2 4.09Å; T160-F216 HydrophobicContact CG2-CG 4.33Å |
| 161 | Y | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68 | -32.7 | -168.4 | -85.2 | -116.7 | 0 | 0 | 0 | 113.4 | L115 G116 W117 G122 W123 A156 V158 S163 L164 G165 L196 | L115-Y161 HydrophobicContact CB-CE1 4.02Å; L115-Y161 HydrophobicContact CD2-CD1 4.37Å; L115-Y161 HydrophobicContact CD2-CE1 3.98Å; G116-Y161 PolarHBondContact O-OH 3Å; G116-Y161 VanDerWaalsContact O-OH 3.08Å; W117-Y161 HydrophobicContact CB-CD1 4.33Å; W117-Y161 HydrophobicContact CB-CE1 3.69Å; W117-Y161 HydrophobicContact CB-CE2 4.44Å; W117-Y161 AromaticContact CD2-CD1 3.7Å; W117-Y161 HydrophobicContact CD2-CD1 3.7Å; W117-Y161 AromaticContact CD2-CE1 3.62Å; W117-Y161 HydrophobicContact CD2-CE1 3.62Å; W117-Y161 AromaticContact CE3-CD1 3.74Å; W117-Y161 HydrophobicContact CE3-CD1 3.74Å; W117-Y161 AromaticContact CE3-CE1 3.42Å; W117-Y161 HydrophobicContact CE3-CE1 3.42Å; W117-Y161 VanDerWaalsContact CE3-CE1 3.42Å; W117-Y161 AromaticContact CG-CD1 3.99Å; W117-Y161 HydrophobicContact CG-CD1 3.99Å; W117-Y161 AromaticContact CG-CE1 3.77Å; W117-Y161 HydrophobicContact CG-CE1 3.77Å; W117-Y161 HydrophobicContact CZ3-CD1 4.35Å; W117-Y161 HydrophobicContact CZ3-CE1 4.29Å; G122-Y161 VanDerWaalsContact C-OH 3.29Å; G122-Y161 WeakPolarHBondContact CA-OH 3.33Å; W123-Y161 VanDerWaalsContact C-OH 3.25Å; W123-Y161 PolarHBondContact N-OH 2.66Å; W123-Y161 PolarHBondContact O-OH 2.83Å; A156-Y161 HydrophobicContact CB-CE2 4.22Å; V158-Y161 VanDerWaalsContact O-CB 3.31Å; V158-Y161 WeakPolarHBondContact O-CB 3.45Å; V158-Y161 WeakPolarHBondContact O-CD2 3.48Å; V158-Y161 PolarHBondContact O-N 3.45Å; Y161-S163 VanDerWaalsContact C-N 3.34Å; Y161-S163 PolarHBondContact O-N 3.1Å; Y161-L164 HydrophobicContact CD2-CD1 4.34Å; Y161-L164 PolarHBondContact O-N 2.79Å; Y161-G165 PolarHBondContact O-N 3.33Å; Y161-L196 HydrophobicContact CD1-CD1 3.98Å |
| 162 | G | 96.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 22.9 Ų | 22.9 | 26% | 0.258 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T160 G165 T166 S195 | T160-G162 PolarHBondContact O-N 3.17Å; G162-G165 PolarHBondContact O-N 3.05Å; G162-T166 PolarHBondContact O-N 2.92Å; G162-T166 VanDerWaalsContact O-N 3.1Å; G162-T166 PolarHBondContact O-OG1 3.05Å; G162-S195 WeakPolarHBondContact CA-OG 3.26Å; G162-S195 WeakPolarHBondContact O-CB 3.34Å; G162-S195 PolarHBondContact O-OG 3.17Å |
| 163 | S | 97.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 23.6 Ų | 23.6 | 33% | 0.329 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -73 | -36.4 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | T160 Y161 G165 T166 A167 | T160-S163 PolarHBondContact O-N 3.37Å; T160-S163 VanDerWaalsContact O-N 3.14Å; Y161-S163 VanDerWaalsContact C-N 3.34Å; Y161-S163 PolarHBondContact O-N 3.1Å; S163-G165 VanDerWaalsContact C-N 3.34Å; S163-T166 PolarHBondContact O-N 2.83Å; S163-A167 PolarHBondContact O-N 3.02Å |
| 164 | L | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 171.2 | -70.6 | 175.2 | 0 | 0 | 0 | 111 | L115 T160 Y161 T166 A167 L168 Y214 F216 I228 | L115-L164 HydrophobicContact CD2-CD1 4.08Å; T160-L164 WeakPolarHBondContact O-CG 3.2Å; T160-L164 PolarHBondContact O-N 3.25Å; Y161-L164 HydrophobicContact CD2-CD1 4.34Å; Y161-L164 PolarHBondContact O-N 2.79Å; L164-T166 VanDerWaalsContact C-N 3.35Å; L164-T166 PolarHBondContact O-N 2.78Å; L164-A167 PolarHBondContact O-N 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 2.7Å; L164-Y214 HydrophobicContact CD2-CD1 4.03Å; L164-Y214 HydrophobicContact CD2-CE1 4.14Å; L164-Y214 HydrophobicContact CG-CD1 4.49Å; L164-Y214 HydrophobicContact CG-CE1 4.26Å; L164-F216 HydrophobicContact CD2-CE1 4.04Å; L164-I228 HydrophobicContact CD2-CD1 4.23Å; L164-I228 HydrophobicContact CD2-CG1 3.65Å |
| 165 | G | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y161 G162 S163 A167 L168 E169 | Y161-G165 PolarHBondContact O-N 3.33Å; G162-G165 PolarHBondContact O-N 3.05Å; S163-G165 VanDerWaalsContact C-N 3.34Å; G165-A167 PolarHBondContact O-N 2.87Å; G165-L168 WeakPolarHBondContact O-CB 3.3Å; G165-L168 PolarHBondContact O-N 3.14Å; G165-L168 VanDerWaalsContact O-N 3.15Å; G165-E169 PolarHBondContact O-N 3.37Å |
| 166 | T | 94.7 | Very high | 95 | Very high | 48 Ų | 48 | 29.1 Ų | 29.1 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.4 | -43 | 177.5 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | G162 S163 L164 L168 E169 Y170 M212 | G162-T166 PolarHBondContact O-N 2.92Å; G162-T166 VanDerWaalsContact O-N 3.1Å; G162-T166 PolarHBondContact O-OG1 3.05Å; S163-T166 PolarHBondContact O-N 2.83Å; L164-T166 VanDerWaalsContact C-N 3.35Å; L164-T166 PolarHBondContact O-N 2.78Å; T166-L168 VanDerWaalsContact C-N 3.33Å; T166-L168 PolarHBondContact O-N 2.84Å; T166-E169 PolarHBondContact O-N 2.97Å; T166-Y170 WeakPolarHBondContact O-CD2 3.32Å; T166-M212 HydrophobicContact CG2-CE 4.11Å |
| 167 | A | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S163 L164 G165 Y170 M212 I228 S230 | S163-A167 PolarHBondContact O-N 3.02Å; L164-A167 PolarHBondContact O-N 3.28Å; G165-A167 PolarHBondContact O-N 2.87Å; A167-Y170 WeakPolarHBondContact O-CB 3.22Å; A167-Y170 PolarHBondContact O-N 3.17Å; A167-M212 HydrophobicContact CB-CG 4.46Å; A167-I228 HydrophobicContact CB-CB 4.14Å; A167-I228 HydrophobicContact CB-CG2 3.73Å; A167-S230 WeakPolarHBondContact O-CB 3.29Å; A167-S230 PolarHBondContact O-OG 3.45Å |
| 168 | L | 95 | Very high | 95.2 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 176.6 | -74.2 | 171.2 | 0 | 0 | 0 | 112.5 | F94 T111 L115 L164 G165 T166 Y170 Q171 D172 P173 L199 | F94-L168 HydrophobicContact CE1-CD1 3.86Å; F94-L168 HydrophobicContact CE1-CD2 4.26Å; F94-L168 HydrophobicContact CE2-CD2 3.94Å; F94-L168 HydrophobicContact CZ-CD1 3.96Å; F94-L168 HydrophobicContact CZ-CD2 3.57Å; F94-L168 HydrophobicContact CZ-CG 4.45Å; T111-L168 HydrophobicContact CG2-CD2 4.28Å; L115-L168 HydrophobicContact CD1-CD1 3.66Å; L115-L168 HydrophobicContact CG-CD1 4.36Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 2.7Å; G165-L168 WeakPolarHBondContact O-CB 3.3Å; G165-L168 PolarHBondContact O-N 3.14Å; G165-L168 VanDerWaalsContact O-N 3.15Å; T166-L168 VanDerWaalsContact C-N 3.33Å; T166-L168 PolarHBondContact O-N 2.84Å; L168-Y170 PolarHBondContact O-N 3.47Å; L168-Q171 WeakPolarHBondContact O-CA 3.49Å; L168-Q171 WeakPolarHBondContact O-CB 3.38Å; L168-Q171 PolarHBondContact O-N 3.37Å; L168-D172 PolarHBondContact O-N 2.94Å; L168-P173 HydrophobicContact CB-CG 4.44Å; L168-P173 WeakPolarHBondContact O-CD 3.46Å; L168-L199 HydrophobicContact CB-CD1 3.95Å; L168-L199 HydrophobicContact CB-CD2 4.16Å; L168-L199 HydrophobicContact CD1-CD1 4.07Å |
| 169 | E | 93.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.4 | -35.1 | 173.4 | -70.9 | -172.7 | 130.5 | 0 | 0 | 111.9 | G165 T166 Q171 D172 A198 L199 S203 H205 | G165-E169 PolarHBondContact O-N 3.37Å; T166-E169 PolarHBondContact O-N 2.97Å; E169-Q171 PolarHBondContact O-N 2.84Å; E169-D172 PolarHBondContact O-N 2.85Å; E169-D172 VanDerWaalsContact O-N 3.16Å; E169-A198 WeakPolarHBondContact OE1-CB 3.47Å; E169-L199 HydrophobicContact CB-CD2 4.43Å; E169-L199 HydrophobicContact CG-CD2 3.67Å; E169-L199 HydrophobicContact CG-CG 4.36Å; E169-S203 WeakPolarHBondContact OE1-CB 2.97Å; E169-S203 PolarHBondContact OE1-OG 3.16Å; E169-H205 IonicContact OE1-CD2 3.39Å; E169-H205 IonicContact OE2-CD2 3.95Å; E169-H205 PolarHBondContact OE2-CD2 3.2Å; E169-H205 VanDerWaalsContact OE2-CD2 3.3Å; E169-H205 IonicContact OE2-NE2 3.7Å |
| 170 | Y | 93.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 30 Ų | 30 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.3 | 175.7 | -77.9 | -113.4 | 0 | 0 | 0 | 113.7 | T166 A167 L168 P209 M212 K231 L232 | T166-Y170 WeakPolarHBondContact O-CD2 3.32Å; A167-Y170 WeakPolarHBondContact O-CB 3.22Å; A167-Y170 PolarHBondContact O-N 3.17Å; L168-Y170 PolarHBondContact O-N 3.47Å; Y170-P209 VanDerWaalsContact CE1-O 3.23Å; Y170-P209 WeakPolarHBondContact CE1-O 3.37Å; Y170-M212 HydrophobicContact CD1-CB 3.51Å; Y170-M212 HydrophobicContact CD2-CB 3.84Å; Y170-M212 HydrophobicContact CD2-CE 4.41Å; Y170-M212 HydrophobicContact CD2-CG 4.3Å; Y170-M212 HydrophobicContact CE1-CB 3.9Å; Y170-M212 HydrophobicContact CE2-CB 4.25Å; Y170-M212 HydrophobicContact CE2-CE 3.82Å; Y170-M212 HydrophobicContact CG-CB 3.45Å; Y170-M212 VanDerWaalsContact CG-CB 3.45Å; Y170-M212 HydrophobicContact CG-CG 4.36Å; Y170-K231 CarbonylContact O-C 3.48Å; Y170-K231 PolarHBondContact O-N 2.96Å; Y170-L232 HydrophobicContact CD1-CD1 4.2Å; Y170-L232 HydrophobicContact CD1-CG 4.32Å; Y170-L232 PolarHBondContact O-N 3.46Å |
| 171 | Q | 94 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -5.1 | 171.5 | -53.8 | -176.3 | 26.9 | 0 | 0 | 112.2 | S109 T111 L168 E169 I228 S230 A325 G327 | S109-Q171 WeakPolarHBondContact CB-O 3.46Å; S109-Q171 PolarHBondContact OG-O 3.02Å; T111-Q171 HydrophobicContact CG2-CB 4.06Å; T111-Q171 WeakPolarHBondContact OG1-CB 3.2Å; T111-Q171 PolarHBondContact OG1-OE1 2.82Å; L168-Q171 WeakPolarHBondContact O-CA 3.49Å; L168-Q171 WeakPolarHBondContact O-CB 3.38Å; L168-Q171 PolarHBondContact O-N 3.37Å; E169-Q171 PolarHBondContact O-N 2.84Å; Q171-I228 VanDerWaalsContact NE2-CG2 3.27Å; Q171-S230 VanDerWaalsContact CG-OG 3.24Å; Q171-S230 WeakPolarHBondContact CG-OG 3.5Å; Q171-S230 PolarHBondContact NE2-OG 3.16Å; Q171-A325 VanDerWaalsContact O-CB 3.3Å; Q171-A325 WeakPolarHBondContact O-CB 3.05Å; Q171-G327 VanDerWaalsContact OE1-CA 3.25Å |
| 172 | D | 91.9 | Very high | 95 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 40% | 0.401 | 19% | 0.186 | S | C | . | . | trans | 47.2 | 51.5 | 179.6 | -164.7 | 21.3 | 0 | 0 | 0 | 113.8 | S109 L168 E169 L232 A325 | S109-D172 WeakPolarHBondContact CB-O 3.21Å; S109-D172 PolarHBondContact OG-O 2.78Å; L168-D172 PolarHBondContact O-N 2.94Å; E169-D172 PolarHBondContact O-N 2.85Å; E169-D172 VanDerWaalsContact O-N 3.16Å; D172-L232 HydrophobicContact CB-CD2 4.2Å; D172-A325 HydrophobicContact CB-CB 3.88Å | ||
| 173 | P | 93.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 10% | 0.104 | 19% | 0.185 | C | C | . | . | trans | -73.6 | 143.8 | -170.8 | 31.3 | -37.8 | 0 | 0 | 0 | 111.7 | F94 T111 L168 I175 L199 | F94-P173 HydrophobicContact CB-CB 3.93Å; F94-P173 HydrophobicContact CD2-CB 3.89Å; F94-P173 HydrophobicContact CG-CB 4Å; T111-P173 HydrophobicContact CG2-CB 4.03Å; L168-P173 HydrophobicContact CB-CG 4.44Å; L168-P173 WeakPolarHBondContact O-CD 3.46Å; P173-I175 HydrophobicContact CB-CD1 4.33Å; P173-I175 HydrophobicContact CG-CD1 4.06Å; P173-I175 PolarHBondContact O-N 3.44Å; P173-L199 HydrophobicContact CG-CD2 4.01Å | ||
| 174 | M | 93.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | trans | -82.5 | 105.1 | 169.1 | -172.2 | 176.6 | 77.2 | 0 | 0 | 110 | F94 S95 P98 F101 V105 | F94-M174 CarbonylContact C-O 3.4Å; F94-M174 WeakPolarHBondContact CA-O 3.4Å; F94-M174 WeakPolarHBondContact CB-O 3.07Å; S95-M174 PolarHBondContact N-O 3.1Å; S95-M174 WeakPolarHBondContact O-CE 3.47Å; P98-M174 VanDerWaalsContact CD-CE 3.47Å; P98-M174 HydrophobicContact CG-CE 3.67Å; F101-M174 HydrophobicContact CE1-CE 4.46Å; V105-M174 HydrophobicContact CB-CE 4.17Å; V105-M174 HydrophobicContact CB-SD 3.94Å; V105-M174 HydrophobicContact CG1-SD 4.06Å; V105-M174 HydrophobicContact CG2-CE 3.65Å; V105-M174 HydrophobicContact CG2-SD 3.75Å | ||
| 175 | I | 95 | Very high | 94.4 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.4 | 173.1 | -47.2 | -48.3 | 0 | 0 | 0 | 108.9 | I92 F94 P173 Y178 L199 | I92-I175 HydrophobicContact CG2-CD1 3.78Å; I92-I175 HydrophobicContact CG2-CG1 4.41Å; I92-I175 HydrophobicContact CG2-CG2 3.87Å; F94-I175 HydrophobicContact CB-CD1 3.62Å; F94-I175 HydrophobicContact CD1-CD1 4.34Å; F94-I175 HydrophobicContact CG-CD1 4.32Å; P173-I175 HydrophobicContact CB-CD1 4.33Å; P173-I175 HydrophobicContact CG-CD1 4.06Å; P173-I175 PolarHBondContact O-N 3.44Å; I175-Y178 HydrophobicContact CG2-CD1 4.01Å; I175-L199 HydrophobicContact CD1-CB 4.21Å; I175-L199 HydrophobicContact CG1-CB 4.32Å; I175-L199 WeakPolarHBondContact CG1-O 3.31Å |
| 176 | Y | 94.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -14.9 | 178.9 | 72.7 | -92.2 | 0 | 0 | 0 | 113.5 | A93 P98 P99 P133 F135 | A93-Y176 VanDerWaalsContact C-CE1 3.43Å; A93-Y176 HydrophobicContact CB-CD1 4.36Å; A93-Y176 HydrophobicContact CB-CE1 3.61Å; A93-Y176 HydrophobicContact CB-CE2 4Å; A93-Y176 WeakPolarHBondContact CB-OH 3.37Å; A93-Y176 VanDerWaalsContact O-CD1 3.29Å; A93-Y176 WeakPolarHBondContact O-CD1 3.47Å; A93-Y176 PolarHBondContact O-N 2.96Å; P98-Y176 HydrophobicContact CB-CD1 3.71Å; P98-Y176 HydrophobicContact CB-CD2 3.87Å; P98-Y176 HydrophobicContact CB-CE1 4.28Å; P98-Y176 HydrophobicContact CB-CE2 4.42Å; P98-Y176 HydrophobicContact CB-CG 3.48Å; P98-Y176 VanDerWaalsContact CB-CG 3.48Å; P98-Y176 HydrophobicContact CG-CG 4.41Å; P99-Y176 HydrophobicContact CG-CE2 4.37Å; P133-Y176 VanDerWaalsContact CD-OH 3.28Å; P133-Y176 WeakPolarHBondContact CD-OH 3.48Å; P133-Y176 PolarHBondContact O-OH 3.07Å; F135-Y176 HydrophobicContact CD2-CE2 4.33Å |
| 177 | Y | 95.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 54 Ų | 54 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 139.1 | 177 | -171.4 | -95.7 | 0 | 0 | 0 | 110 | I91 A93 F135 I179 | I91-Y177 HydrophobicContact CG2-CD1 3.7Å; I91-Y177 HydrophobicContact CG2-CE1 3.68Å; A93-Y177 PolarHBondContact N-O 2.59Å; A93-Y177 PolarHBondContact O-N 3.37Å; F135-Y177 HydrophobicContact CB-CD1 3.41Å; F135-Y177 VanDerWaalsContact CB-CD1 3.41Å; F135-Y177 HydrophobicContact CB-CD2 3.82Å; F135-Y177 HydrophobicContact CB-CE1 3.46Å; F135-Y177 VanDerWaalsContact CB-CE1 3.46Å; F135-Y177 HydrophobicContact CB-CE2 3.87Å; F135-Y177 HydrophobicContact CB-CG 3.6Å; F135-Y177 HydrophobicContact CD1-CE1 4.41Å; F135-Y177 AromaticContact CD2-CD1 3.83Å; F135-Y177 HydrophobicContact CD2-CD1 3.83Å; F135-Y177 HydrophobicContact CD2-CE1 4.47Å; F135-Y177 HydrophobicContact CD2-CG 4.23Å; F135-Y177 AromaticContact CG-CD1 3.69Å; F135-Y177 HydrophobicContact CG-CD1 3.69Å; F135-Y177 AromaticContact CG-CE1 3.9Å; F135-Y177 HydrophobicContact CG-CE1 3.9Å; F135-Y177 HydrophobicContact CG-CG 4.22Å; Y177-I179 HydrophobicContact CE1-CG2 3.61Å |
| 178 | Y | 96.2 | Very high | 94.3 | Very high | 123 Ų | 123 | 56.5 Ų | 56.5 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.4 | 169.8 | 63.3 | -90.1 | 0 | 0 | 0 | 110.7 | I91 I175 L190 T200 | I91-Y178 CarbonylContact O-C 3.57Å; I91-Y178 WeakPolarHBondContact O-CA 3.07Å; I91-Y178 VanDerWaalsContact O-CB 3.27Å; I91-Y178 WeakPolarHBondContact O-CB 3.41Å; I175-Y178 HydrophobicContact CG2-CD1 4.01Å; Y178-L190 HydrophobicContact CD2-CD2 3.61Å; Y178-L190 HydrophobicContact CE2-CD2 4.28Å; Y178-L190 HydrophobicContact CG-CD2 4.32Å; Y178-T200 HydrophobicContact CD1-CG2 3.87Å; Y178-T200 HydrophobicContact CD2-CG2 4.12Å; Y178-T200 HydrophobicContact CE1-CG2 4.31Å; Y178-T200 HydrophobicContact CG-CG2 3.77Å |
| 179 | I | 95.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.7 | 169.7 | 78.8 | -168.1 | 0 | 0 | 0 | 108.1 | F80 Y89 N90 I91 Y177 | F80-I179 HydrophobicContact CD1-CD1 4.26Å; Y89-I179 WeakPolarHBondContact O-CG1 3.37Å; N90-I179 WeakPolarHBondContact CA-O 3.41Å; I91-I179 HydrophobicContact CB-CD1 4.5Å; I91-I179 HydrophobicContact CB-CG1 4.22Å; I91-I179 HydrophobicContact CG2-CB 4.27Å; I91-I179 HydrophobicContact CG2-CD1 4.06Å; I91-I179 HydrophobicContact CG2-CG1 3.72Å; I91-I179 HydrophobicContact CG2-CG2 4.21Å; I91-I179 PolarHBondContact N-O 3.3Å; I91-I179 PolarHBondContact O-N 3.46Å; Y177-I179 HydrophobicContact CE1-CG2 3.61Å |
| 180 | S | 96.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | trans | -114.8 | 145.6 | 171 | -165 | 0 | 0 | 0 | 0 | 109.7 | N90 T182 T189 L190 E191 | N90-S180 PolarHBondContact OD1-OG 3.45Å; S180-T182 PolarHBondContact O-N 3.42Å; S180-T189 WeakPolarHBondContact OG-CB 3.44Å; S180-L190 WeakPolarHBondContact OG-CB 3.42Å; S180-L190 PolarHBondContact OG-N 3.22Å; S180-L190 VanDerWaalsContact OG-N 3.11Å; S180-E191 WeakPolarHBondContact CB-OE1 3.4Å; S180-E191 WeakPolarHBondContact CB-OE2 3.4Å; S180-E191 VanDerWaalsContact OG-CD 3.24Å; S180-E191 PolarHBondContact OG-OE1 2.92Å; S180-E191 PolarHBondContact OG-OE2 3.26Å | ||
| 181 | A | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | trans | -62.7 | 133.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E87 Y89 N90 A186 | E87-A181 CarbonylContact O-C 3.5Å; E87-A181 WeakPolarHBondContact O-CA 3.28Å; E87-A181 WeakPolarHBondContact O-CB 3Å; Y89-A181 PolarHBondContact O-N 3.08Å; N90-A181 PolarHBondContact OD1-N 3.43Å; A181-A186 HydrophobicContact CB-CB 4.45Å | ||
| 182 | T | 94.7 | Very high | 94.8 | Very high | 103 Ų | 103 | 63.2 Ų | 63.2 | 63% | 0.632 | 33% | 0.33 | S | S | * | . | trans | -116.6 | -1.1 | -175.5 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | E87 S180 | E87-T182 PolarHBondContact O-N 3.4Å; S180-T182 PolarHBondContact O-N 3.42Å | ||
| 183 | K | 93.1 | Very high | 95.1 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -57.8 | 151.8 | 177.1 | 72.3 | -179.7 | -171.8 | -178.5 | 0 | 111.5 | E87 D88 D119 Q185 A186 | E87-K183 HydrophobicContact CB-CB 4.42Å; E87-K183 PolarHBondContact O-N 3.26Å; D88-K183 WeakPolarHBondContact OD1-CD 3.37Å; D119-K183 WeakPolarHBondContact OD2-CE 3.32Å; D119-K183 IonicContact OD2-NZ 2.72Å; D119-K183 PolarHBondContact OD2-NZ 3.25Å; K183-Q185 PolarHBondContact O-N 2.8Å; K183-A186 HydrophobicContact CG-CB 3.88Å; K183-A186 PolarHBondContact O-N 2.68Å |
| 184 | A | 92.8 | Very high | 95.2 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 77% | 0.769 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 136.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A186 | A184-A186 VanDerWaalsContact C-N 3.27Å; A184-A186 PolarHBondContact O-N 2.73Å |
| 185 | Q | 92.8 | Very high | 95.2 | Very high | 184 Ų | 184 | 63.2 Ų | 63.2 | 86% | 0.86 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 22.8 | 176.9 | -51 | 173.7 | -9.3 | 0 | 0 | 115.4 | K183 K187 | K183-Q185 PolarHBondContact O-N 2.8Å; Q185-K187 PolarHBondContact O-N 3.17Å |
| 186 | A | 94 | Very high | 95.3 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | trans | -55.9 | 137.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A181 K183 A184 T189 | A181-A186 HydrophobicContact CB-CB 4.45Å; K183-A186 HydrophobicContact CG-CB 3.88Å; K183-A186 PolarHBondContact O-N 2.68Å; A184-A186 VanDerWaalsContact C-N 3.27Å; A184-A186 PolarHBondContact O-N 2.73Å; A186-T189 HydrophobicContact CB-CG2 3.43Å; A186-T189 VanDerWaalsContact CB-CG2 3.43Å | ||
| 187 | K | 93.7 | Very high | 95.3 | Very high | 163 Ų | 163 | 62.4 Ų | 62.4 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -108 | -41.4 | -172.9 | -65.6 | 176.3 | -175.2 | 168.1 | 0 | 112.6 | D119 Q185 S192 | D119-K187 PolarHBondContact OD1-N 2.91Å; Q185-K187 PolarHBondContact O-N 3.17Å; K187-S192 PolarHBondContact O-OG 3.2Å |
| 188 | N | 96.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -109.9 | 49.8 | -177.1 | -64.6 | -44.6 | 0 | 0 | 0 | 111 | N90 W117 D119 V158 S192 | N90-N188 PolarHBondContact ND2-O 2.96Å; W117-N188 PolarHBondContact NE1-O 2.86Å; D119-N188 PolarHBondContact O-ND2 3.07Å; D119-N188 PolarHBondContact OD1-N 2.98Å; V158-N188 HydrophobicContact CG1-CB 3.74Å; N188-S192 VanDerWaalsContact C-OG 3.31Å; N188-S192 WeakPolarHBondContact CA-OG 3.48Å |
| 189 | T | 97 | Very high | 95.1 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | trans | -67.5 | 163.6 | 174.6 | 76.7 | 0 | 0 | 0 | 0 | 111.4 | N90 S180 A186 E191 S192 | N90-T189 VanDerWaalsContact OD1-CA 3.31Å; N90-T189 WeakPolarHBondContact OD1-CA 3.4Å; S180-T189 WeakPolarHBondContact OG-CB 3.44Å; A186-T189 HydrophobicContact CB-CG2 3.43Å; A186-T189 VanDerWaalsContact CB-CG2 3.43Å; T189-E191 WeakPolarHBondContact CB-OE2 3.26Å; T189-E191 PolarHBondContact O-N 3.03Å; T189-E191 PolarHBondContact OG1-N 2.81Å; T189-E191 PolarHBondContact OG1-OE2 2.54Å; T189-S192 PolarHBondContact N-OG 2.87Å; T189-S192 PolarHBondContact O-N 2.76Å; T189-S192 VanDerWaalsContact O-N 3.08Å; T189-S192 PolarHBondContact O-OG 3.1Å; T189-S192 PolarHBondContact OG1-N 2.74Å | ||
| 190 | L | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -51 | -43.6 | 172.3 | 175 | 61.7 | 0 | 0 | 0 | 112.3 | N90 I92 W117 Y178 S180 S192 I193 L196 T200 | N90-L190 PolarHBondContact OD1-N 3.13Å; N90-L190 VanDerWaalsContact OD1-N 3.08Å; I92-L190 HydrophobicContact CD1-CD1 3.53Å; I92-L190 HydrophobicContact CG1-CD1 3.96Å; W117-L190 HydrophobicContact CH2-CD1 4.08Å; W117-L190 HydrophobicContact CZ2-CB 4.39Å; W117-L190 HydrophobicContact CZ2-CD1 4.43Å; Y178-L190 HydrophobicContact CD2-CD2 3.61Å; Y178-L190 HydrophobicContact CE2-CD2 4.28Å; Y178-L190 HydrophobicContact CG-CD2 4.32Å; S180-L190 WeakPolarHBondContact OG-CB 3.42Å; S180-L190 PolarHBondContact OG-N 3.22Å; S180-L190 VanDerWaalsContact OG-N 3.11Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.32Å; L190-I193 PolarHBondContact O-N 3.36Å; L190-L196 HydrophobicContact CD1-CB 3.83Å; L190-T200 HydrophobicContact CD1-CG2 4.24Å; L190-T200 HydrophobicContact CD2-CG2 3.99Å |
| 191 | E | 95.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 61.1 Ų | 61.1 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -70.9 | -25.4 | -177.4 | -57.7 | 74.6 | -162.4 | 0 | 0 | 112.7 | S180 T189 I193 | S180-E191 WeakPolarHBondContact CB-OE1 3.4Å; S180-E191 WeakPolarHBondContact CB-OE2 3.4Å; S180-E191 VanDerWaalsContact OG-CD 3.24Å; S180-E191 PolarHBondContact OG-OE1 2.92Å; S180-E191 PolarHBondContact OG-OE2 3.26Å; T189-E191 WeakPolarHBondContact CB-OE2 3.26Å; T189-E191 PolarHBondContact O-N 3.03Å; T189-E191 PolarHBondContact OG1-N 2.81Å; T189-E191 PolarHBondContact OG1-OE2 2.54Å; E191-I193 VanDerWaalsContact C-N 3.3Å |
| 192 | S | 96.8 | Very high | 94 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -76.8 | -15.8 | 179.5 | 76.2 | 0 | 0 | 0 | 0 | 113.5 | K187 N188 T189 L190 P194 | K187-S192 PolarHBondContact O-OG 3.2Å; N188-S192 VanDerWaalsContact C-OG 3.31Å; N188-S192 WeakPolarHBondContact CA-OG 3.48Å; T189-S192 PolarHBondContact N-OG 2.87Å; T189-S192 PolarHBondContact O-N 2.76Å; T189-S192 VanDerWaalsContact O-N 3.08Å; T189-S192 PolarHBondContact O-OG 3.1Å; T189-S192 PolarHBondContact OG1-N 2.74Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.32Å; S192-P194 WeakPolarHBondContact O-CD 3.09Å |
| 193 | I | 97.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -109.6 | 97.3 | -179.7 | -55.5 | 175.2 | 0 | 0 | 0 | 108.6 | L190 E191 S195 L196 K197 | L190-I193 PolarHBondContact O-N 3.36Å; E191-I193 VanDerWaalsContact C-N 3.3Å; I193-S195 VanDerWaalsContact C-N 3.35Å; I193-S195 PolarHBondContact O-N 2.98Å; I193-L196 HydrophobicContact CB-CB 4.19Å; I193-L196 HydrophobicContact CB-CD1 4.16Å; I193-L196 HydrophobicContact CB-CG 4.25Å; I193-L196 HydrophobicContact CD1-CD1 3.98Å; I193-L196 HydrophobicContact CG2-CB 4.07Å; I193-L196 HydrophobicContact CG2-CD1 3.92Å; I193-L196 HydrophobicContact CG2-CG 3.72Å; I193-L196 PolarHBondContact O-N 2.83Å; I193-K197 PolarHBondContact O-N 3.4Å |
| 194 | P | 95.4 | Very high | 91.4 | Very high | 100 Ų | 100 | 64 Ų | 64 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.4 | -39.7 | -167.6 | -29.1 | 36.3 | 0 | 0 | 0 | 115.1 | S192 L196 K197 A198 | S192-P194 WeakPolarHBondContact O-CD 3.09Å; P194-L196 VanDerWaalsContact C-N 3.32Å; P194-L196 PolarHBondContact O-N 2.64Å; P194-K197 PolarHBondContact O-N 3.48Å; P194-A198 WeakPolarHBondContact O-CB 3.44Å; P194-A198 PolarHBondContact O-N 2.88Å |
| 195 | S | 94.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.5 | -30.6 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | G162 I193 L199 | G162-S195 WeakPolarHBondContact CA-OG 3.26Å; G162-S195 WeakPolarHBondContact O-CB 3.34Å; G162-S195 PolarHBondContact O-OG 3.17Å; I193-S195 VanDerWaalsContact C-N 3.35Å; I193-S195 PolarHBondContact O-N 2.98Å; S195-L199 WeakPolarHBondContact O-CG 2.96Å; S195-L199 PolarHBondContact O-N 3.24Å |
| 196 | L | 96.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.5 | -40.4 | 174.9 | -68.3 | -171.7 | 0 | 0 | 0 | 111.8 | I92 L115 W117 Y161 L190 I193 P194 A198 L199 | I92-L196 HydrophobicContact CD1-CB 3.91Å; I92-L196 HydrophobicContact CD1-CD1 4.43Å; I92-L196 HydrophobicContact CD1-CD2 4.01Å; I92-L196 HydrophobicContact CD1-CG 4.34Å; L115-L196 HydrophobicContact CD1-CD2 3.65Å; W117-L196 HydrophobicContact CH2-CD1 3.63Å; W117-L196 HydrophobicContact CZ2-CD1 3.65Å; W117-L196 HydrophobicContact CZ3-CD1 4.23Å; Y161-L196 HydrophobicContact CD1-CD1 3.98Å; L190-L196 HydrophobicContact CD1-CB 3.83Å; I193-L196 HydrophobicContact CB-CB 4.19Å; I193-L196 HydrophobicContact CB-CD1 4.16Å; I193-L196 HydrophobicContact CB-CG 4.25Å; I193-L196 HydrophobicContact CD1-CD1 3.98Å; I193-L196 HydrophobicContact CG2-CB 4.07Å; I193-L196 HydrophobicContact CG2-CD1 3.92Å; I193-L196 HydrophobicContact CG2-CG 3.72Å; I193-L196 PolarHBondContact O-N 2.83Å; P194-L196 VanDerWaalsContact C-N 3.32Å; P194-L196 PolarHBondContact O-N 2.64Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 2.98Å; L196-L199 HydrophobicContact CD2-CD1 3.98Å; L196-L199 WeakPolarHBondContact O-CB 3.14Å; L196-L199 PolarHBondContact O-N 2.89Å |
| 197 | K | 95.5 | Very high | 87.6 | Confident | 77 Ų | 77 | 65 Ų | 65 | 34% | 0.335 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 170.6 | -179.3 | 177.2 | 173.5 | 176.3 | 0 | 111.1 | I193 P194 L199 T200 E201 | I193-K197 PolarHBondContact O-N 3.4Å; P194-K197 PolarHBondContact O-N 3.48Å; K197-L199 VanDerWaalsContact C-N 3.27Å; K197-L199 PolarHBondContact O-N 2.72Å; K197-T200 PolarHBondContact O-N 3.48Å; K197-T200 PolarHBondContact O-OG1 2.98Å; K197-E201 WeakPolarHBondContact CE-OE1 3.11Å; K197-E201 IonicContact NZ-OE1 2.76Å; K197-E201 PolarHBondContact O-N 2.86Å |
| 198 | A | 93.7 | Very high | 87.2 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.7 | -34.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E169 P194 L196 T200 E201 G202 S203 | E169-A198 WeakPolarHBondContact OE1-CB 3.47Å; P194-A198 WeakPolarHBondContact O-CB 3.44Å; P194-A198 PolarHBondContact O-N 2.88Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 2.98Å; A198-T200 PolarHBondContact O-N 3Å; A198-E201 PolarHBondContact O-N 3.44Å; A198-G202 PolarHBondContact O-N 3.31Å; A198-S203 PolarHBondContact O-N 2.86Å |
| 199 | L | 93.6 | Very high | 86.9 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.6 | -34.9 | 173.3 | -68.4 | 175.1 | 0 | 0 | 0 | 112.4 | L168 E169 P173 I175 S195 L196 K197 | L168-L199 HydrophobicContact CB-CD1 3.95Å; L168-L199 HydrophobicContact CB-CD2 4.16Å; L168-L199 HydrophobicContact CD1-CD1 4.07Å; E169-L199 HydrophobicContact CB-CD2 4.43Å; E169-L199 HydrophobicContact CG-CD2 3.67Å; E169-L199 HydrophobicContact CG-CG 4.36Å; P173-L199 HydrophobicContact CG-CD2 4.01Å; I175-L199 HydrophobicContact CD1-CB 4.21Å; I175-L199 HydrophobicContact CG1-CB 4.32Å; I175-L199 WeakPolarHBondContact CG1-O 3.31Å; S195-L199 WeakPolarHBondContact O-CG 2.96Å; S195-L199 PolarHBondContact O-N 3.24Å; L196-L199 HydrophobicContact CD2-CD1 3.98Å; L196-L199 WeakPolarHBondContact O-CB 3.14Å; L196-L199 PolarHBondContact O-N 2.89Å; K197-L199 VanDerWaalsContact C-N 3.27Å; K197-L199 PolarHBondContact O-N 2.72Å |
| 200 | T | 94.3 | Very high | 86.8 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 17% | 0.172 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -84.9 | -19.6 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | I92 Y178 L190 K197 A198 | I92-T200 HydrophobicContact CD1-CG2 4.36Å; Y178-T200 HydrophobicContact CD1-CG2 3.87Å; Y178-T200 HydrophobicContact CD2-CG2 4.12Å; Y178-T200 HydrophobicContact CE1-CG2 4.31Å; Y178-T200 HydrophobicContact CG-CG2 3.77Å; L190-T200 HydrophobicContact CD1-CG2 4.24Å; L190-T200 HydrophobicContact CD2-CG2 3.99Å; K197-T200 PolarHBondContact O-N 3.48Å; K197-T200 PolarHBondContact O-OG1 2.98Å; A198-T200 PolarHBondContact O-N 3Å |
| 201 | E | 91.4 | Very high | 86.7 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -92.5 | -6 | 179.9 | -68 | 178.6 | 158.4 | 0 | 0 | 113.1 | K197 A198 | K197-E201 WeakPolarHBondContact CE-OE1 3.11Å; K197-E201 IonicContact NZ-OE1 2.76Å; K197-E201 PolarHBondContact O-N 2.86Å; A198-E201 PolarHBondContact O-N 3.44Å |
| 202 | G | 77.4 | Confident | 86.6 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | trans | 82.5 | 84.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A198 | A198-G202 PolarHBondContact O-N 3.31Š| ||
| 203 | S | 69.1 | Low | 86.6 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | trans | -59.6 | 141.6 | 179.9 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | E169 A198 | E169-S203 WeakPolarHBondContact OE1-CB 2.97Å; E169-S203 PolarHBondContact OE1-OG 3.16Å; A198-S203 PolarHBondContact O-N 2.86Å | ||
| 204 | T | 65.3 | Low | 86.6 | Confident | 125 Ų | 125 | 66 Ų | 66 | 77% | 0.767 | 37% | 0.37 | S | S | * | . | trans | -110 | 26.6 | -178.6 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | V206 | T204-V206 WeakPolarHBondContact O-CG2 3.38Å; T204-V206 PolarHBondContact O-N 2.89Å | ||
| 205 | H | 64.1 | Low | 86.7 | Confident | 87 Ų | 87 | 66 Ų | 66 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | trans | -59.8 | 112.2 | -176.8 | -115.5 | -63.2 | 0 | 0 | 0 | 112.1 | E169 | E169-H205 IonicContact OE1-CD2 3.39Å; E169-H205 IonicContact OE2-CD2 3.95Å; E169-H205 PolarHBondContact OE2-CD2 3.2Å; E169-H205 VanDerWaalsContact OE2-CD2 3.3Å; E169-H205 IonicContact OE2-NE2 3.7Å | ||
| 206 | V | 63.6 | Low | 86.8 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | trans | -137.3 | 52.2 | -175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | T204 R234 | T204-V206 WeakPolarHBondContact O-CG2 3.38Å; T204-V206 PolarHBondContact O-N 2.89Å; V206-R234 VanDerWaalsContact CG1-NH2 3.34Å | ||
| 207 | Y | 71.3 | Confident | 86.8 | Confident | 180 Ų | 180 | 69.2 Ų | 69.2 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | trans | -142.5 | 153 | 174.3 | -57 | -72.2 | 0 | 0 | 0 | 112.6 | ||||
| 208 | S | 84.5 | Confident | 86.8 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -71.8 | 151.7 | 173 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 209 | P | 91.1 | Very high | 86.6 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | cis | -67.6 | 153.5 | 0.9 | 29.2 | -35.3 | 0 | 0 | 0 | 112.1 | Y170 T211 | Y170-P209 VanDerWaalsContact CE1-O 3.23Å; Y170-P209 WeakPolarHBondContact CE1-O 3.37Å; P209-T211 VanDerWaalsContact C-N 3.29Å | ||
| 210 | F | 94.2 | Very high | 86.3 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | trans | -94.6 | 11.9 | 177.6 | -58.4 | -56.2 | 0 | 0 | 0 | 112.8 | K231 L232 R234 A235 | F210-K231 WeakPolarHBondContact O-CA 3.18Å; F210-L232 HydrophobicContact CB-CB 4.37Å; F210-L232 HydrophobicContact CD1-CD1 4.38Å; F210-L232 PolarHBondContact O-N 3.12Å; F210-R234 HydrophobicContact CD1-CB 3.82Å; F210-R234 HydrophobicContact CD2-CB 4.16Å; F210-R234 HydrophobicContact CE1-CB 3.96Å; F210-R234 HydrophobicContact CE2-CB 4.28Å; F210-R234 HydrophobicContact CG-CB 3.93Å; F210-R234 HydrophobicContact CZ-CB 4.19Å; F210-A235 HydrophobicContact CB-CB 3.87Å | ||
| 211 | T | 95.1 | Very high | 85.8 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.5 | -179.6 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | P209 S230 K231 Y243 | P209-T211 VanDerWaalsContact C-N 3.29Å; T211-S230 CarbonylContact C-O 3.53Å; T211-S230 WeakPolarHBondContact CA-O 3.24Å; T211-K231 HydrophobicContact CG2-CB 4.31Å; T211-K231 HydrophobicContact CG2-CG 4Å; T211-Y243 HydrophobicContact CG2-CD1 3.86Å; T211-Y243 HydrophobicContact CG2-CD2 4.36Å; T211-Y243 HydrophobicContact CG2-CE1 3.91Å; T211-Y243 HydrophobicContact CG2-CE2 4.42Å; T211-Y243 HydrophobicContact CG2-CG 4.11Å |
| 212 | M | 94.9 | Very high | 85.6 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.4 | 177 | 176.9 | 62.5 | 77.1 | 0 | 0 | 108.7 | T166 A167 Y170 S230 Y243 | T166-M212 HydrophobicContact CG2-CE 4.11Å; A167-M212 HydrophobicContact CB-CG 4.46Å; Y170-M212 HydrophobicContact CD1-CB 3.51Å; Y170-M212 HydrophobicContact CD2-CB 3.84Å; Y170-M212 HydrophobicContact CD2-CE 4.41Å; Y170-M212 HydrophobicContact CD2-CG 4.3Å; Y170-M212 HydrophobicContact CE1-CB 3.9Å; Y170-M212 HydrophobicContact CE2-CB 4.25Å; Y170-M212 HydrophobicContact CE2-CE 3.82Å; Y170-M212 HydrophobicContact CG-CB 3.45Å; Y170-M212 VanDerWaalsContact CG-CB 3.45Å; Y170-M212 HydrophobicContact CG-CG 4.36Å; M212-S230 PolarHBondContact N-O 3.28Å; M212-S230 PolarHBondContact O-N 3.35Å; M212-S230 VanDerWaalsContact O-O 3.11Å; M212-Y243 PolarHBondContact N-OH 2.78Å; M212-Y243 PolarHBondContact O-OH 3.3Å |
| 213 | N | 96.6 | Very high | 86.4 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 35% | 0.348 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 139.5 | 165.6 | 69.3 | -80.8 | 0 | 0 | 0 | 109.8 | I228 Y243 L247 | N213-I228 CarbonylContact C-O 3.44Å; N213-I228 WeakPolarHBondContact CA-O 3.45Å; N213-Y243 WeakPolarHBondContact CB-OH 3.35Å; N213-Y243 PolarHBondContact N-OH 3.39Å; N213-L247 HydrophobicContact CB-CD1 4.44Å; N213-L247 HydrophobicContact CB-CD2 3.63Å |
| 214 | Y | 97.2 | Very high | 87.7 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 18% | 0.18 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.9 | 173.8 | 174.1 | -123.1 | 0 | 0 | 0 | 109.1 | T160 L164 F216 Y227 I228 | T160-Y214 WeakPolarHBondContact CB-OH 3.29Å; T160-Y214 WeakPolarHBondContact CG2-OH 3.22Å; L164-Y214 HydrophobicContact CD2-CD1 4.03Å; L164-Y214 HydrophobicContact CD2-CE1 4.14Å; L164-Y214 HydrophobicContact CG-CD1 4.49Å; L164-Y214 HydrophobicContact CG-CE1 4.26Å; Y214-F216 AromaticContact CD1-CD1 3.8Å; Y214-F216 HydrophobicContact CD1-CD1 3.8Å; Y214-F216 HydrophobicContact CD1-CE1 4.33Å; Y214-F216 HydrophobicContact CE1-CB 4.05Å; Y214-F216 AromaticContact CE1-CD1 3.37Å; Y214-F216 HydrophobicContact CE1-CD1 3.37Å; Y214-F216 HydrophobicContact CE1-CE1 4.07Å; Y214-F216 AromaticContact CE1-CG 3.94Å; Y214-F216 HydrophobicContact CE1-CG 3.94Å; Y214-Y227 CarbonylContact O-C 2.94Å; Y214-Y227 VanDerWaalsContact O-CA 3.32Å; Y214-Y227 WeakPolarHBondContact O-CA 3.37Å; Y214-I228 PolarHBondContact N-O 3.46Å; Y214-I228 PolarHBondContact O-N 2.83Å |
| 215 | K | 97.4 | Very high | 89.2 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.6 | 176.4 | -177.4 | -173.3 | -178 | 163.1 | 0 | 109 | V226 Y227 E332 | K215-V226 WeakPolarHBondContact CA-O 3.48Å; K215-Y227 HydrophobicContact CB-CD1 3.85Å; K215-Y227 HydrophobicContact CB-CE1 3.96Å; K215-Y227 HydrophobicContact CD-CD1 4.23Å; K215-Y227 HydrophobicContact CD-CE1 3.47Å; K215-Y227 VanDerWaalsContact CD-CE1 3.47Å; K215-Y227 VanDerWaalsContact CE-OH 3.22Å; K215-Y227 WeakPolarHBondContact CE-OH 3.33Å; K215-Y227 HydrophobicContact CG-CD1 3.9Å; K215-Y227 HydrophobicContact CG-CE1 3.65Å; K215-Y227 HydrophobicContact CG-CG 4.46Å; K215-Y227 PolarHBondContact NZ-OH 3.44Å; K215-E332 IonicContact NZ-OE2 2.7Å |
| 216 | F | 97 | Very high | 90.8 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.8 | 168.1 | 66.7 | -76.6 | 0 | 0 | 0 | 109.9 | I154 A156 T160 L164 Y214 V218 V226 I228 | I154-F216 HydrophobicContact CG2-CE2 4.13Å; I154-F216 HydrophobicContact CG2-CZ 4.14Å; A156-F216 HydrophobicContact CB-CE2 4.2Å; T160-F216 HydrophobicContact CG2-CB 4.37Å; T160-F216 HydrophobicContact CG2-CD2 4.09Å; T160-F216 HydrophobicContact CG2-CG 4.33Å; L164-F216 HydrophobicContact CD2-CE1 4.04Å; Y214-F216 AromaticContact CD1-CD1 3.8Å; Y214-F216 HydrophobicContact CD1-CD1 3.8Å; Y214-F216 HydrophobicContact CD1-CE1 4.33Å; Y214-F216 HydrophobicContact CE1-CB 4.05Å; Y214-F216 AromaticContact CE1-CD1 3.37Å; Y214-F216 HydrophobicContact CE1-CD1 3.37Å; Y214-F216 HydrophobicContact CE1-CE1 4.07Å; Y214-F216 AromaticContact CE1-CG 3.94Å; Y214-F216 HydrophobicContact CE1-CG 3.94Å; F216-V218 HydrophobicContact CD2-CG2 4.25Å; F216-V218 HydrophobicContact CE2-CG2 3.7Å; F216-V218 HydrophobicContact CZ-CG2 4.38Å; F216-V226 HydrophobicContact CD1-CB 4.48Å; F216-V226 HydrophobicContact CE1-CB 4.06Å; F216-V226 HydrophobicContact CE1-CG1 3.76Å; F216-V226 HydrophobicContact CZ-CB 4.1Å; F216-V226 HydrophobicContact CZ-CG1 3.89Å; F216-V226 PolarHBondContact N-O 2.77Å; F216-V226 PolarHBondContact O-N 3.23Å; F216-I228 HydrophobicContact CE1-CG1 4.38Å |
| 217 | T | 96.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.8 | 178.5 | -57 | 0 | 0 | 0 | 0 | 109.3 | Q223 | T217-Q223 HydrophobicContact CG2-CB 3.88Å |
| 218 | V | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.8 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | S35 I154 F216 T224 V226 | S35-V218 WeakPolarHBondContact O-CG1 3.42Å; I154-V218 HydrophobicContact CG2-CB 4.44Å; I154-V218 HydrophobicContact CG2-CG1 4.16Å; I154-V218 HydrophobicContact CG2-CG2 3.36Å; F216-V218 HydrophobicContact CD2-CG2 4.25Å; F216-V218 HydrophobicContact CE2-CG2 3.7Å; F216-V218 HydrophobicContact CZ-CG2 4.38Å; V218-T224 PolarHBondContact N-O 3.3Å; V218-T224 PolarHBondContact O-N 2.9Å; V218-V226 HydrophobicContact CB-CG2 4.48Å; V218-V226 HydrophobicContact CG2-CB 4.14Å; V218-V226 HydrophobicContact CG2-CG2 3.46Å; V218-V226 VanDerWaalsContact CG2-CG2 3.46Å |
| 219 | G | 88.8 | Confident | 94.3 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | trans | -77 | -161.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S35 | S35-G219 WeakPolarHBondContact CB-O 3.42Å; S35-G219 PolarHBondContact OG-O 3.07Å | ||
| 220 | G | 87.2 | Confident | 94.6 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 56% | 0.557 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 106.8 | -160.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T222 | G220-T222 PolarHBondContact O-N 3.09Š|
| 221 | T | 83.3 | Confident | 94.6 | Very high | 112 Ų | 112 | 38.3 Ų | 38.3 | 69% | 0.687 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -57.6 | -33.7 | -178.7 | -46.5 | 0 | 0 | 0 | 0 | 112.6 | T55 | T55-T221 HydrophobicContact CG2-CG2 3.68Š|
| 222 | T | 87.8 | Confident | 94.6 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -126.8 | 138.9 | 174.1 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | G54 G220 T224 | G54-T222 VanDerWaalsContact O-CG2 3.31Å; G54-T222 WeakPolarHBondContact O-CG2 3.46Å; G54-T222 PolarHBondContact O-OG1 2.67Å; G220-T222 PolarHBondContact O-N 3.09Å; T222-T224 PolarHBondContact O-N 3.48Å |
| 223 | Q | 94 | Very high | 94.4 | Very high | 132 Ų | 132 | 36.1 Ų | 36.1 | 62% | 0.617 | 21% | 0.21 | S | C | * | . | trans | -78.3 | 114.3 | 173.4 | -65.1 | -66.1 | -50.8 | 0 | 0 | 108.2 | T217 | T217-Q223 HydrophobicContact CG2-CB 3.88Š| ||
| 224 | T | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 108.1 | -176.5 | -59 | 0 | 0 | 0 | 0 | 110.2 | W36 V218 T222 V226 M331 H333 | W36-T224 PolarHBondContact NE1-OG1 3.13Å; W36-T224 VanDerWaalsContact NE1-OG1 3.11Å; V218-T224 PolarHBondContact N-O 3.3Å; V218-T224 PolarHBondContact O-N 2.9Å; T222-T224 PolarHBondContact O-N 3.48Å; T224-V226 HydrophobicContact CG2-CG2 4.44Å; T224-V226 PolarHBondContact O-N 2.82Å; T224-M331 HydrophobicContact CG2-CB 4.24Å; T224-H333 HydrophobicContact CG2-CB 4.44Å |
| 225 | P | 97.4 | Very high | 94 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 14% | 0.143 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 132.3 | 170.6 | -18.3 | 30 | 0 | 0 | 0 | 111.3 | Y227 E332 | P225-Y227 HydrophobicContact CB-CE2 4.35Å; P225-E332 HydrophobicContact CB-CB 3.89Å; P225-E332 HydrophobicContact CG-CB 4.09Å; P225-E332 HydrophobicContact CG-CG 4.5Å; P225-E332 PolarHBondContact O-N 3.01Å |
| 226 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.2 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 109.5 | I154 K215 F216 V218 T224 L329 C330 M331 | I154-V226 HydrophobicContact CD1-CG2 4.33Å; K215-V226 WeakPolarHBondContact CA-O 3.48Å; F216-V226 HydrophobicContact CD1-CB 4.48Å; F216-V226 HydrophobicContact CE1-CB 4.06Å; F216-V226 HydrophobicContact CE1-CG1 3.76Å; F216-V226 HydrophobicContact CZ-CB 4.1Å; F216-V226 HydrophobicContact CZ-CG1 3.89Å; F216-V226 PolarHBondContact N-O 2.77Å; F216-V226 PolarHBondContact O-N 3.23Å; V218-V226 HydrophobicContact CB-CG2 4.48Å; V218-V226 HydrophobicContact CG2-CB 4.14Å; V218-V226 HydrophobicContact CG2-CG2 3.46Å; V218-V226 VanDerWaalsContact CG2-CG2 3.46Å; T224-V226 HydrophobicContact CG2-CG2 4.44Å; T224-V226 PolarHBondContact O-N 2.82Å; V226-L329 HydrophobicContact CG1-CD1 3.33Å; V226-C330 CarbonylContact C-O 3.6Å; V226-C330 VanDerWaalsContact CA-O 3.28Å; V226-C330 WeakPolarHBondContact CA-O 3.46Å; V226-M331 HydrophobicContact CG2-CG 4.12Å |
| 227 | Y | 97.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.9 | 177 | -53.2 | -107.2 | 0 | 0 | 0 | 109.7 | Y214 K215 P225 L329 C330 E332 | Y214-Y227 CarbonylContact O-C 2.94Å; Y214-Y227 VanDerWaalsContact O-CA 3.32Å; Y214-Y227 WeakPolarHBondContact O-CA 3.37Å; K215-Y227 HydrophobicContact CB-CD1 3.85Å; K215-Y227 HydrophobicContact CB-CE1 3.96Å; K215-Y227 HydrophobicContact CD-CD1 4.23Å; K215-Y227 HydrophobicContact CD-CE1 3.47Å; K215-Y227 VanDerWaalsContact CD-CE1 3.47Å; K215-Y227 VanDerWaalsContact CE-OH 3.22Å; K215-Y227 WeakPolarHBondContact CE-OH 3.33Å; K215-Y227 HydrophobicContact CG-CD1 3.9Å; K215-Y227 HydrophobicContact CG-CE1 3.65Å; K215-Y227 HydrophobicContact CG-CG 4.46Å; K215-Y227 PolarHBondContact NZ-OH 3.44Å; P225-Y227 HydrophobicContact CB-CE2 4.35Å; Y227-L329 WeakPolarHBondContact O-CA 3.4Å; Y227-C330 HydrophobicContact CD2-CB 4.34Å; Y227-C330 PolarHBondContact N-O 3.29Å; Y227-C330 PolarHBondContact O-N 3.03Å; Y227-E332 HydrophobicContact CE2-CB 4.19Å; Y227-E332 WeakPolarHBondContact CE2-OE2 3.44Å; Y227-E332 PolarHBondContact OH-OE2 3.07Å |
| 228 | I | 97.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.4 | 161.5 | -50.7 | -55.3 | 0 | 0 | 0 | 106.8 | F124 L164 A167 Q171 N213 Y214 F216 L329 | F124-I228 HydrophobicContact CE1-CD1 3.83Å; L164-I228 HydrophobicContact CD2-CD1 4.23Å; L164-I228 HydrophobicContact CD2-CG1 3.65Å; A167-I228 HydrophobicContact CB-CB 4.14Å; A167-I228 HydrophobicContact CB-CG2 3.73Å; Q171-I228 VanDerWaalsContact NE2-CG2 3.27Å; N213-I228 CarbonylContact C-O 3.44Å; N213-I228 WeakPolarHBondContact CA-O 3.45Å; Y214-I228 PolarHBondContact N-O 3.46Å; Y214-I228 PolarHBondContact O-N 2.83Å; F216-I228 HydrophobicContact CE1-CG1 4.38Å; I228-L329 HydrophobicContact CD1-CD1 3.42Å; I228-L329 VanDerWaalsContact CD1-CD1 3.42Å |
| 229 | I | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.5 | 178.9 | -55.8 | 173.6 | 0 | 0 | 0 | 107 | Y243 M244 L247 L248 V328 | I229-Y243 HydrophobicContact CG2-CD1 3.51Å; I229-Y243 HydrophobicContact CG2-CE1 3.26Å; I229-Y243 HydrophobicContact CG2-CG 4.48Å; I229-M244 HydrophobicContact CD1-CG 3.99Å; I229-M244 HydrophobicContact CG2-CG 4.26Å; I229-L247 HydrophobicContact CD1-CD2 3.73Å; I229-L247 HydrophobicContact CG1-CD2 3.7Å; I229-L247 HydrophobicContact CG2-CD2 4.41Å; I229-L248 HydrophobicContact CD1-CD1 4.47Å; I229-V328 HydrophobicContact CB-CB 4.17Å; I229-V328 PolarHBondContact N-O 3.47Å; I229-V328 PolarHBondContact O-N 2.95Å |
| 230 | S | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.3 | -168.3 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | A167 Q171 T211 M212 Y243 S326 | A167-S230 WeakPolarHBondContact O-CB 3.29Å; A167-S230 PolarHBondContact O-OG 3.45Å; Q171-S230 VanDerWaalsContact CG-OG 3.24Å; Q171-S230 WeakPolarHBondContact CG-OG 3.5Å; Q171-S230 PolarHBondContact NE2-OG 3.16Å; T211-S230 CarbonylContact C-O 3.53Å; T211-S230 WeakPolarHBondContact CA-O 3.24Å; M212-S230 PolarHBondContact N-O 3.28Å; M212-S230 PolarHBondContact O-N 3.35Å; M212-S230 VanDerWaalsContact O-O 3.11Å; S230-Y243 WeakPolarHBondContact O-CE1 3.43Å; S230-S326 WeakPolarHBondContact CA-O 3.18Å |
| 231 | K | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 129.2 | -176.1 | -177.7 | -161.7 | 72.2 | 71.8 | 0 | 109 | Y170 F210 T211 A235 Q237 V239 T322 I324 A325 S326 | Y170-K231 CarbonylContact O-C 3.48Å; Y170-K231 PolarHBondContact O-N 2.96Å; F210-K231 WeakPolarHBondContact O-CA 3.18Å; T211-K231 HydrophobicContact CG2-CB 4.31Å; T211-K231 HydrophobicContact CG2-CG 4Å; K231-A235 HydrophobicContact CD-CB 3.83Å; K231-A235 HydrophobicContact CG-CB 3.47Å; K231-A235 VanDerWaalsContact CG-CB 3.47Å; K231-Q237 WeakPolarHBondContact CD-O 3.36Å; K231-Q237 WeakPolarHBondContact CE-O 3.33Å; K231-V239 HydrophobicContact CB-CG2 4.42Å; K231-V239 HydrophobicContact CD-CB 4.32Å; K231-T322 PolarHBondContact NZ-O 2.86Å; K231-T322 VanDerWaalsContact NZ-O 3.12Å; K231-I324 PolarHBondContact NZ-O 3.31Å; K231-A325 CarbonylContact O-C 3.57Å; K231-A325 WeakPolarHBondContact O-CA 3.47Å; K231-A325 WeakPolarHBondContact O-CB 3.47Å; K231-S326 WeakPolarHBondContact CE-OG 3.44Å; K231-S326 PolarHBondContact N-O 3.45Å; K231-S326 PolarHBondContact O-N 3.25Å |
| 232 | L | 94 | Very high | 95.2 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | trans | -77.1 | 160.6 | 172.1 | -70.4 | 168.6 | 0 | 0 | 0 | 111.6 | Y170 D172 F210 R234 A235 | Y170-L232 HydrophobicContact CD1-CD1 4.2Å; Y170-L232 HydrophobicContact CD1-CG 4.32Å; Y170-L232 PolarHBondContact O-N 3.46Å; D172-L232 HydrophobicContact CB-CD2 4.2Å; F210-L232 HydrophobicContact CB-CB 4.37Å; F210-L232 HydrophobicContact CD1-CD1 4.38Å; F210-L232 PolarHBondContact O-N 3.12Å; L232-R234 PolarHBondContact O-N 3.3Å; L232-A235 WeakPolarHBondContact O-CB 3.04Å; L232-A235 PolarHBondContact O-N 3.04Å | ||
| 233 | S | 92.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -56.4 | -34.7 | 174.7 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | A235 Y236 S323 | S233-A235 PolarHBondContact O-N 2.68Å; S233-A235 VanDerWaalsContact O-N 3.14Å; S233-Y236 PolarHBondContact O-N 2.92Å; S233-S323 VanDerWaalsContact CB-O 3.28Å; S233-S323 WeakPolarHBondContact CB-O 3.32Å |
| 234 | R | 90.7 | Very high | 95.8 | Very high | 120 Ų | 120 | 28 Ų | 28 | 45% | 0.453 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -64 | -13.8 | 179.1 | -65.2 | -179 | -177.4 | -127.8 | 2.1 | 115.1 | V206 F210 L232 Y236 | V206-R234 VanDerWaalsContact CG1-NH2 3.34Å; F210-R234 HydrophobicContact CD1-CB 3.82Å; F210-R234 HydrophobicContact CD2-CB 4.16Å; F210-R234 HydrophobicContact CE1-CB 3.96Å; F210-R234 HydrophobicContact CE2-CB 4.28Å; F210-R234 HydrophobicContact CG-CB 3.93Å; F210-R234 HydrophobicContact CZ-CB 4.19Å; L232-R234 PolarHBondContact O-N 3.3Å; R234-Y236 VanDerWaalsContact C-N 3.3Å; R234-Y236 WeakPolarHBondContact O-CD2 3.43Å; R234-Y236 WeakPolarHBondContact O-CE2 3.09Å |
| 235 | A | 92.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 12% | 0.124 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -71.7 | -24.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F210 K231 L232 S233 Q237 | F210-A235 HydrophobicContact CB-CB 3.87Å; K231-A235 HydrophobicContact CD-CB 3.83Å; K231-A235 HydrophobicContact CG-CB 3.47Å; K231-A235 VanDerWaalsContact CG-CB 3.47Å; L232-A235 WeakPolarHBondContact O-CB 3.04Å; L232-A235 PolarHBondContact O-N 3.04Å; S233-A235 PolarHBondContact O-N 2.68Å; S233-A235 VanDerWaalsContact O-N 3.14Å; A235-Q237 VanDerWaalsContact O-CG 3.29Å; A235-Q237 WeakPolarHBondContact O-CG 3.46Å; A235-Q237 PolarHBondContact O-N 2.71Å; A235-Q237 VanDerWaalsContact O-N 3.1Å |
| 236 | Y | 93.5 | Very high | 95.8 | Very high | 157 Ų | 157 | 32.1 Ų | 32.1 | 62% | 0.616 | 15% | 0.153 | S | C | * | . | trans | 48.8 | 35.4 | -179 | -60.6 | -73.9 | 0 | 0 | 0 | 115.1 | S233 R234 T322 | S233-Y236 PolarHBondContact O-N 2.92Å; R234-Y236 VanDerWaalsContact C-N 3.3Å; R234-Y236 WeakPolarHBondContact O-CD2 3.43Å; R234-Y236 WeakPolarHBondContact O-CE2 3.09Å; Y236-T322 CarbonylContact C-O 3.51Å; Y236-T322 VanDerWaalsContact CA-O 3.3Å; Y236-T322 WeakPolarHBondContact CA-O 3.16Å | ||
| 237 | Q | 94.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 41% | 0.407 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -126.7 | 150.2 | -173.1 | -80.7 | 171.3 | 0.7 | 0 | 0 | 112.3 | K231 A235 V239 T322 | K231-Q237 WeakPolarHBondContact CD-O 3.36Å; K231-Q237 WeakPolarHBondContact CE-O 3.33Å; A235-Q237 VanDerWaalsContact O-CG 3.29Å; A235-Q237 WeakPolarHBondContact O-CG 3.46Å; A235-Q237 PolarHBondContact O-N 2.71Å; A235-Q237 VanDerWaalsContact O-N 3.1Å; Q237-V239 PolarHBondContact O-N 2.88Å; Q237-T322 PolarHBondContact N-O 2.87Å |
| 238 | D | 96 | Very high | 95.7 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | trans | -69.1 | 110.1 | 167.2 | 176.8 | 32.6 | 0 | 0 | 0 | 109.3 | Y240 S241 S242 L264 R317 T322 | D238-Y240 PolarHBondContact O-N 3.24Å; D238-Y240 VanDerWaalsContact O-N 3.09Å; D238-Y240 VanDerWaalsContact OD1-CD2 3.25Å; D238-Y240 WeakPolarHBondContact OD1-CD2 3.41Å; D238-S241 WeakPolarHBondContact CB-OG 3.36Å; D238-S241 PolarHBondContact O-N 3.08Å; D238-S241 VanDerWaalsContact OD2-CB 3.31Å; D238-S241 WeakPolarHBondContact OD2-CB 3.4Å; D238-S241 PolarHBondContact OD2-N 3.27Å; D238-S241 PolarHBondContact OD2-OG 2.66Å; D238-S242 VanDerWaalsContact O-CB 3.28Å; D238-S242 WeakPolarHBondContact O-CB 3.45Å; D238-S242 PolarHBondContact O-N 2.99Å; D238-S242 PolarHBondContact O-OG 2.97Å; D238-L264 HydrophobicContact CB-CD1 4.21Å; D238-R317 IonicContact OD2-CZ 2.83Å; D238-R317 IonicContact OD2-NE 2.64Å; D238-R317 PolarHBondContact OD2-NE 2.91Å; D238-R317 IonicContact OD2-NH2 3.62Å; D238-T322 HydrophobicContact CB-CG2 4.41Å | ||
| 239 | V | 96.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -56 | -32.2 | -176.3 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | K231 Q237 Y243 M244 V328 | K231-V239 HydrophobicContact CB-CG2 4.42Å; K231-V239 HydrophobicContact CD-CB 4.32Å; Q237-V239 PolarHBondContact O-N 2.88Å; V239-Y243 HydrophobicContact CG2-CD1 4.26Å; V239-Y243 PolarHBondContact O-N 3.08Å; V239-M244 HydrophobicContact CG2-CG 4.4Å; V239-M244 VanDerWaalsContact O-CG 3.29Å; V239-M244 WeakPolarHBondContact O-CG 3.23Å; V239-M244 PolarHBondContact O-N 2.86Å; V239-V328 HydrophobicContact CG1-CG2 4.42Å; V239-V328 HydrophobicContact CG2-CG2 4.28Å |
| 240 | Y | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -70.9 | -61.2 | -178.9 | -57.3 | -82.7 | 0 | 0 | 0 | 111.9 | D238 M244 T245 V254 V299 S313 T315 R317 | D238-Y240 PolarHBondContact O-N 3.24Å; D238-Y240 VanDerWaalsContact O-N 3.09Å; D238-Y240 VanDerWaalsContact OD1-CD2 3.25Å; D238-Y240 WeakPolarHBondContact OD1-CD2 3.41Å; Y240-M244 HydrophobicContact CD1-SD 3.76Å; Y240-M244 HydrophobicContact CE1-SD 4.26Å; Y240-M244 HydrophobicContact CG-SD 4.44Å; Y240-T245 WeakPolarHBondContact O-CG2 3.45Å; Y240-T245 PolarHBondContact O-N 3.4Å; Y240-T245 PolarHBondContact O-OG1 3.02Å; Y240-V254 HydrophobicContact CD1-CG1 4.26Å; Y240-V254 HydrophobicContact CD1-CG2 3.95Å; Y240-V254 HydrophobicContact CE1-CG1 4.06Å; Y240-V254 HydrophobicContact CE1-CG2 4.46Å; Y240-V254 HydrophobicContact CG-CG2 4.44Å; Y240-V299 HydrophobicContact CD1-CG2 3.63Å; Y240-V299 HydrophobicContact CE1-CG2 3.42Å; Y240-V299 VanDerWaalsContact CE1-CG2 3.42Å; Y240-S313 WeakPolarHBondContact OH-CB 3.25Å; Y240-S313 PolarHBondContact OH-OG 3.34Å; Y240-T315 WeakPolarHBondContact CE2-O 3.49Å; Y240-T315 PolarHBondContact OH-O 3.43Å; Y240-R317 HydrophobicContact CD2-CB 3.93Å; Y240-R317 HydrophobicContact CD2-CG 3.72Å; Y240-R317 HydrophobicContact CE2-CB 3.71Å; Y240-R317 HydrophobicContact CE2-CG 4.05Å; Y240-R317 HydrophobicContact CG-CG 4.48Å |
| 241 | S | 97 | Very high | 95.8 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -83.5 | -25.8 | -171.7 | 58.9 | 0 | 0 | 0 | 0 | 115 | D238 T245 | D238-S241 WeakPolarHBondContact CB-OG 3.36Å; D238-S241 PolarHBondContact O-N 3.08Å; D238-S241 VanDerWaalsContact OD2-CB 3.31Å; D238-S241 WeakPolarHBondContact OD2-CB 3.4Å; D238-S241 PolarHBondContact OD2-N 3.27Å; D238-S241 PolarHBondContact OD2-OG 2.66Å; S241-T245 VanDerWaalsContact C-OG1 3.29Å; S241-T245 PolarHBondContact O-OG1 2.85Å |
| 242 | S | 95.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 37% | 0.371 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -97.8 | -21.4 | -175.7 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | D238 | D238-S242 VanDerWaalsContact O-CB 3.28Å; D238-S242 WeakPolarHBondContact O-CB 3.45Å; D238-S242 PolarHBondContact O-N 2.99Å; D238-S242 PolarHBondContact O-OG 2.97Å |
| 243 | Y | 96.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -125.8 | -57.5 | -174.7 | -174.5 | -147.8 | 0 | 0 | 0 | 113.6 | T211 M212 N213 I229 S230 V239 T245 M246 L247 | T211-Y243 HydrophobicContact CG2-CD1 3.86Å; T211-Y243 HydrophobicContact CG2-CD2 4.36Å; T211-Y243 HydrophobicContact CG2-CE1 3.91Å; T211-Y243 HydrophobicContact CG2-CE2 4.42Å; T211-Y243 HydrophobicContact CG2-CG 4.11Å; M212-Y243 PolarHBondContact N-OH 2.78Å; M212-Y243 PolarHBondContact O-OH 3.3Å; N213-Y243 WeakPolarHBondContact CB-OH 3.35Å; N213-Y243 PolarHBondContact N-OH 3.39Å; I229-Y243 HydrophobicContact CG2-CD1 3.51Å; I229-Y243 HydrophobicContact CG2-CE1 3.26Å; I229-Y243 HydrophobicContact CG2-CG 4.48Å; S230-Y243 WeakPolarHBondContact O-CE1 3.43Å; V239-Y243 HydrophobicContact CG2-CD1 4.26Å; V239-Y243 PolarHBondContact O-N 3.08Å; Y243-T245 PolarHBondContact O-N 3.11Å; Y243-M246 PolarHBondContact O-N 2.79Å; Y243-L247 WeakPolarHBondContact O-CB 3.37Å; Y243-L247 PolarHBondContact O-N 2.94Å |
| 244 | M | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -59.7 | -45 | -177.1 | -71.2 | 176.8 | 66.6 | 0 | 0 | 112.6 | I229 V239 Y240 M246 L247 L248 L252 V299 C311 V328 | I229-M244 HydrophobicContact CD1-CG 3.99Å; I229-M244 HydrophobicContact CG2-CG 4.26Å; V239-M244 HydrophobicContact CG2-CG 4.4Å; V239-M244 VanDerWaalsContact O-CG 3.29Å; V239-M244 WeakPolarHBondContact O-CG 3.23Å; V239-M244 PolarHBondContact O-N 2.86Å; Y240-M244 HydrophobicContact CD1-SD 3.76Å; Y240-M244 HydrophobicContact CE1-SD 4.26Å; Y240-M244 HydrophobicContact CG-SD 4.44Å; M244-M246 VanDerWaalsContact C-N 3.31Å; M244-M246 PolarHBondContact O-N 2.93Å; M244-L247 PolarHBondContact O-N 2.82Å; M244-L248 HydrophobicContact CB-CD1 4.18Å; M244-L248 HydrophobicContact CE-CD1 4.08Å; M244-L248 WeakPolarHBondContact O-CB 3.49Å; M244-L248 VanDerWaalsContact O-CG 3.25Å; M244-L248 WeakPolarHBondContact O-CG 3.39Å; M244-L248 PolarHBondContact O-N 3.36Å; M244-L252 HydrophobicContact CB-CD1 3.96Å; M244-L252 HydrophobicContact CE-CD1 4.41Å; M244-V299 HydrophobicContact CE-CB 4.12Å; M244-V299 HydrophobicContact CE-CG1 4.15Å; M244-V299 HydrophobicContact CE-CG2 3.83Å; M244-V299 HydrophobicContact SD-CG2 4.47Å; M244-C311 HydrophobicContact CE-CB 4.12Å; M244-V328 HydrophobicContact CE-CG1 3.83Å; M244-V328 HydrophobicContact SD-CB 4.42Å; M244-V328 HydrophobicContact SD-CG1 4Å; M244-V328 HydrophobicContact SD-CG2 3.99Å |
| 245 | T | 97.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56 | -43.2 | 176.1 | 44.1 | 0 | 0 | 0 | 0 | 113 | Y240 S241 Y243 K249 L252 Y272 V274 | Y240-T245 WeakPolarHBondContact O-CG2 3.45Å; Y240-T245 PolarHBondContact O-N 3.4Å; Y240-T245 PolarHBondContact O-OG1 3.02Å; S241-T245 VanDerWaalsContact C-OG1 3.29Å; S241-T245 PolarHBondContact O-OG1 2.85Å; Y243-T245 PolarHBondContact O-N 3.11Å; T245-K249 VanDerWaalsContact O-CA 3.22Å; T245-K249 WeakPolarHBondContact O-CA 3.46Å; T245-K249 PolarHBondContact O-N 2.92Å; T245-L252 HydrophobicContact CG2-CD1 3.93Å; T245-L252 HydrophobicContact CG2-CG 4.35Å; T245-Y272 WeakPolarHBondContact O-CD2 3.13Å; T245-V274 HydrophobicContact CG2-CG2 3.4Å; T245-V274 VanDerWaalsContact CG2-CG2 3.4Å |
| 246 | M | 95.5 | Very high | 97 | Very high | 106 Ų | 106 | 36.4 Ų | 36.4 | 52% | 0.522 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.9 | -38 | -179.2 | -68.4 | -57.2 | -61.2 | 0 | 0 | 112.2 | Y243 M244 P271 | Y243-M246 PolarHBondContact O-N 2.79Å; M244-M246 VanDerWaalsContact C-N 3.31Å; M244-M246 PolarHBondContact O-N 2.93Å; M246-P271 HydrophobicContact SD-CG 4.16Å |
| 247 | L | 96.9 | Very high | 97.1 | Very high | 52 Ų | 52 | 30.1 Ų | 30.1 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.3 | -48.6 | 177.3 | 178.2 | 63.4 | 0 | 0 | 0 | 111.8 | N213 I229 Y243 M244 | N213-L247 HydrophobicContact CB-CD1 4.44Å; N213-L247 HydrophobicContact CB-CD2 3.63Å; I229-L247 HydrophobicContact CD1-CD2 3.73Å; I229-L247 HydrophobicContact CG1-CD2 3.7Å; I229-L247 HydrophobicContact CG2-CD2 4.41Å; Y243-L247 WeakPolarHBondContact O-CB 3.37Å; Y243-L247 PolarHBondContact O-N 2.94Å; M244-L247 PolarHBondContact O-N 2.82Å |
| 248 | L | 97.7 | Very high | 97 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -85.5 | -18.8 | -173.9 | -60.3 | 170.1 | 0 | 0 | 0 | 113.1 | I229 M244 Q250 L252 V309 | I229-L248 HydrophobicContact CD1-CD1 4.47Å; M244-L248 HydrophobicContact CB-CD1 4.18Å; M244-L248 HydrophobicContact CE-CD1 4.08Å; M244-L248 WeakPolarHBondContact O-CB 3.49Å; M244-L248 VanDerWaalsContact O-CG 3.25Å; M244-L248 WeakPolarHBondContact O-CG 3.39Å; M244-L248 PolarHBondContact O-N 3.36Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 WeakPolarHBondContact O-CG 3.31Å; L248-Q250 PolarHBondContact O-N 2.8Å; L248-L252 HydrophobicContact CD1-CD2 4.39Å; L248-V309 HydrophobicContact CD1-CG2 3.79Å; L248-V309 HydrophobicContact CD2-CG1 4.13Å; L248-V309 HydrophobicContact CD2-CG2 4.36Å |
| 249 | K | 97.2 | Very high | 96.8 | Very high | 141 Ų | 141 | 29.1 Ų | 29.1 | 61% | 0.613 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 43.6 | -179.5 | -63.7 | -175.8 | -177.4 | 179.5 | 0 | 113.5 | T245 Y272 | T245-K249 VanDerWaalsContact O-CA 3.22Å; T245-K249 WeakPolarHBondContact O-CA 3.46Å; T245-K249 PolarHBondContact O-N 2.92Å; K249-Y272 VanDerWaalsContact C-CD1 3.46Å; K249-Y272 VanDerWaalsContact C-CZ 3.49Å; K249-Y272 VanDerWaalsContact CA-CZ 3.43Å; K249-Y272 HydrophobicContact CB-CE1 4.2Å; K249-Y272 HydrophobicContact CB-CE2 3.98Å; K249-Y272 WeakPolarHBondContact CB-OH 3.28Å; K249-Y272 HydrophobicContact CG-CE2 4.13Å; K249-Y272 WeakPolarHBondContact O-CE1 3.33Å |
| 250 | Q | 97.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -141.6 | 148.9 | -173.6 | -73.8 | 174.3 | 1.6 | 0 | 0 | 112.8 | L248 L252 Y272 S301 S307 | L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 WeakPolarHBondContact O-CG 3.31Å; L248-Q250 PolarHBondContact O-N 2.8Å; Q250-L252 HydrophobicContact CB-CD2 4.17Å; Q250-Y272 WeakPolarHBondContact O-CB 3.21Å; Q250-S301 PolarHBondContact OE1-OG 2.99Å; Q250-S307 PolarHBondContact NE2-O 2.57Å; Q250-S307 PolarHBondContact NE2-OG 3.05Å |
| 251 | N | 98.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | trans | -71.1 | 132.5 | 165 | -62.3 | -43.7 | 0 | 0 | 0 | 109.2 | Y272 K273 S301 K302 | N251-Y272 WeakPolarHBondContact OD1-CA 3.29Å; N251-K273 CarbonylContact C-O 3.55Å; N251-K273 WeakPolarHBondContact CA-O 3.37Å; N251-K273 PolarHBondContact OD1-N 2.94Å; N251-S301 CarbonylContact O-C 3.58Å; N251-S301 WeakPolarHBondContact O-CA 3.45Å; N251-K302 HydrophobicContact CB-CB 4.09Å; N251-K302 PolarHBondContact O-N 2.93Å | ||
| 252 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.3 | -170.7 | -57.9 | 178.7 | 0 | 0 | 0 | 111.2 | M244 T245 L248 Q250 K273 V274 E275 V299 | M244-L252 HydrophobicContact CB-CD1 3.96Å; M244-L252 HydrophobicContact CE-CD1 4.41Å; T245-L252 HydrophobicContact CG2-CD1 3.93Å; T245-L252 HydrophobicContact CG2-CG 4.35Å; L248-L252 HydrophobicContact CD1-CD2 4.39Å; Q250-L252 HydrophobicContact CB-CD2 4.17Å; L252-K273 PolarHBondContact N-O 3.11Å; L252-V274 HydrophobicContact CB-CG2 4.45Å; L252-V274 CarbonylContact O-C 3.55Å; L252-V274 WeakPolarHBondContact O-CA 3.49Å; L252-E275 PolarHBondContact O-N 3.17Å; L252-V299 HydrophobicContact CB-CG1 3.71Å; L252-V299 HydrophobicContact CD1-CG1 4.01Å; L252-V299 HydrophobicContact CD2-CG1 3.92Å; L252-V299 HydrophobicContact CG-CG1 4.06Å |
| 253 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.4 | 166.8 | -57.7 | -179.6 | 0 | 0 | 0 | 108.5 | E275 V299 A300 K302 A344 I345 I349 | L253-E275 CarbonylContact C-O 3.5Å; L253-E275 WeakPolarHBondContact CA-O 3.31Å; L253-E275 HydrophobicContact CD2-CB 4.07Å; L253-V299 VanDerWaalsContact O-CA 3.29Å; L253-V299 WeakPolarHBondContact O-CA 3.48Å; L253-A300 PolarHBondContact N-O 3.02Å; L253-A300 PolarHBondContact O-N 2.87Å; L253-K302 HydrophobicContact CD1-CB 4.49Å; L253-K302 HydrophobicContact CD1-CG 4.41Å; L253-K302 HydrophobicContact CD2-CB 4.17Å; L253-K302 HydrophobicContact CD2-CD 4.26Å; L253-K302 HydrophobicContact CD2-CG 4.05Å; L253-K302 HydrophobicContact CG-CB 4.04Å; L253-K302 HydrophobicContact CG-CG 4.27Å; L253-A344 HydrophobicContact CB-CB 4.12Å; L253-A344 HydrophobicContact CD1-CB 3.76Å; L253-I345 HydrophobicContact CD1-CD1 4.17Å; L253-I345 HydrophobicContact CD1-CG1 3.81Å; L253-I349 HydrophobicContact CD2-CD1 3.95Å; L253-I349 HydrophobicContact CD2-CG2 4.06Å |
| 254 | V | 98.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.3 | -176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | Y240 V274 E275 V277 V299 R317 | Y240-V254 HydrophobicContact CD1-CG1 4.26Å; Y240-V254 HydrophobicContact CD1-CG2 3.95Å; Y240-V254 HydrophobicContact CE1-CG1 4.06Å; Y240-V254 HydrophobicContact CE1-CG2 4.46Å; Y240-V254 HydrophobicContact CG-CG2 4.44Å; V254-V274 HydrophobicContact CB-CG1 4.36Å; V254-V274 HydrophobicContact CG2-CG1 3.42Å; V254-V274 VanDerWaalsContact CG2-CG1 3.42Å; V254-E275 PolarHBondContact N-O 3.43Å; V254-V277 PolarHBondContact O-N 2.83Å; V254-V299 HydrophobicContact CG2-CG1 4.24Å; V254-V299 HydrophobicContact CG2-CG2 4.16Å; V254-R317 HydrophobicContact CG1-CB 4.49Å |
| 255 | W | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.7 | 160 | 175.2 | -102.1 | 0 | 0 | 0 | 108.8 | V277 P279 I282 R291 D294 N297 W298 | W255-V277 HydrophobicContact CB-CG2 4.24Å; W255-V277 HydrophobicContact CE3-CB 3.78Å; W255-V277 HydrophobicContact CE3-CG1 3.6Å; W255-V277 HydrophobicContact CE3-CG2 4.48Å; W255-V277 HydrophobicContact CZ3-CB 4.48Å; W255-V277 HydrophobicContact CZ3-CG1 3.91Å; W255-P279 WeakPolarHBondContact CZ3-O 3.31Å; W255-I282 HydrophobicContact CD2-CD1 3.83Å; W255-I282 HydrophobicContact CD2-CG1 4.37Å; W255-I282 HydrophobicContact CD2-CG2 4.22Å; W255-I282 HydrophobicContact CE3-CD1 4.33Å; W255-I282 HydrophobicContact CE3-CG1 4.49Å; W255-I282 HydrophobicContact CE3-CG2 3.61Å; W255-I282 HydrophobicContact CG-CD1 4.16Å; W255-I282 HydrophobicContact CH2-CB 4.35Å; W255-I282 HydrophobicContact CH2-CD1 4.38Å; W255-I282 HydrophobicContact CH2-CG1 3.89Å; W255-I282 HydrophobicContact CH2-CG2 3.88Å; W255-I282 HydrophobicContact CZ2-CD1 3.87Å; W255-I282 HydrophobicContact CZ2-CG1 3.72Å; W255-I282 HydrophobicContact CZ2-CG2 4.43Å; W255-I282 HydrophobicContact CZ3-CB 4.38Å; W255-I282 HydrophobicContact CZ3-CG1 4.29Å; W255-I282 HydrophobicContact CZ3-CG2 3.44Å; W255-I282 VanDerWaalsContact CZ3-CG2 3.44Å; W255-R291 HydrophobicContact CH2-CB 3.63Å; W255-R291 HydrophobicContact CH2-CG 4.19Å; W255-R291 HydrophobicContact CZ2-CB 3.74Å; W255-R291 HydrophobicContact CZ2-CG 4.08Å; W255-R291 VanDerWaalsContact CZ3-NH2 3.28Å; W255-D294 PolarHBondContact NE1-OD2 2.81Å; W255-N297 CarbonylContact O-C 3.58Å; W255-N297 VanDerWaalsContact O-CA 3.27Å; W255-N297 WeakPolarHBondContact O-CA 2.96Å; W255-W298 HydrophobicContact CB-CD2 3.67Å; W255-W298 HydrophobicContact CB-CE3 4.11Å; W255-W298 HydrophobicContact CB-CG 4.24Å; W255-W298 HydrophobicContact CB-CH2 3.86Å; W255-W298 HydrophobicContact CB-CZ2 3.38Å; W255-W298 HydrophobicContact CB-CZ3 4.19Å; W255-W298 AromaticContact CD1-CD1 3.64Å; W255-W298 AromaticContact CD1-CE2 3.77Å; W255-W298 AromaticContact CD1-NE1 3.15Å; W255-W298 HydrophobicContact CG-CD2 4.43Å; W255-W298 AromaticContact CG-CE2 3.67Å; W255-W298 AromaticContact CG-CZ2 3.83Å; W255-W298 HydrophobicContact CG-CZ2 3.83Å; W255-W298 AromaticContact CG-NE1 3.56Å; W255-W298 PolarHBondContact N-O 2.95Å; W255-W298 AromaticContact NE1-NE1 3.98Å; W255-W298 PolarHBondContact O-N 3.01Å |
| 256 | S | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | trans | -149 | 139.9 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | P258 R291 N297 P316 R317 | S256-P258 WeakPolarHBondContact O-CD 3.42Å; S256-R291 VanDerWaalsContact O-CD 3.3Å; S256-R291 WeakPolarHBondContact O-CD 3.48Å; S256-R291 PolarHBondContact O-NE 3.33Å; S256-N297 WeakPolarHBondContact CA-OD1 3.37Å; S256-N297 VanDerWaalsContact CB-OD1 3.28Å; S256-N297 WeakPolarHBondContact CB-OD1 3.47Å; S256-N297 PolarHBondContact OG-OD1 3.28Å; S256-P316 WeakPolarHBondContact OG-CA 3.37Å; S256-R317 PolarHBondContact OG-N 2.91Å | ||
| 257 | N | 94.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | trans | -92.6 | 109.3 | 169.1 | -178.7 | 4.8 | 0 | 0 | 0 | 110.1 | G259 R291 D294 N297 P316 | N257-G259 PolarHBondContact O-N 3.47Å; N257-G259 PolarHBondContact OD1-N 2.9Å; N257-R291 HydrophobicContact CB-CG 4.13Å; N257-R291 PolarHBondContact ND2-O 3.13Å; N257-D294 VanDerWaalsContact CB-O 3.25Å; N257-D294 WeakPolarHBondContact CB-O 3.35Å; N257-D294 PolarHBondContact ND2-O 2.92Å; N257-N297 PolarHBondContact N-OD1 2.95Å; N257-N297 VanDerWaalsContact N-OD1 3.09Å; N257-P316 VanDerWaalsContact O-CB 3.3Å; N257-P316 WeakPolarHBondContact O-CB 3.32Å | ||
| 258 | P | 93.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | trans | -82.2 | 1.6 | -177.8 | 38.9 | -40.4 | 0 | 0 | 0 | 113 | S256 S260 K261 L263 T318 | S256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-S260 PolarHBondContact O-N 3.49Å; P258-K261 VanDerWaalsContact CB-O 3.28Å; P258-K261 WeakPolarHBondContact CB-O 3.42Å; P258-K261 WeakPolarHBondContact O-CB 3.24Å; P258-K261 PolarHBondContact O-N 3.34Å; P258-L263 HydrophobicContact CB-CB 4.32Å; P258-L263 HydrophobicContact CB-CD1 4.22Å; P258-L263 HydrophobicContact CG-CB 4.35Å; P258-T318 HydrophobicContact CB-CG2 3.47Å; P258-T318 VanDerWaalsContact CB-CG2 3.47Å | ||
| 259 | G | 90.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -123.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | N257 | N257-G259 PolarHBondContact O-N 3.47Å; N257-G259 PolarHBondContact OD1-N 2.9Å |
| 260 | S | 90.8 | Very high | 95.5 | Very high | 118 Ų | 118 | 46.9 Ų | 46.9 | 83% | 0.825 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.2 | 175.3 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | P258 | P258-S260 PolarHBondContact O-N 3.49Š|
| 261 | K | 93.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 50.8 Ų | 50.8 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -90.3 | 158.5 | -179.7 | -56.7 | -59 | -175.8 | 178.2 | 0 | 110.2 | P258 T318 | P258-K261 VanDerWaalsContact CB-O 3.28Å; P258-K261 WeakPolarHBondContact CB-O 3.42Å; P258-K261 WeakPolarHBondContact O-CB 3.24Å; P258-K261 PolarHBondContact O-N 3.34Å; K261-T318 HydrophobicContact CB-CG2 4.06Å |
| 262 | P | 94.2 | Very high | 95.4 | Very high | 103 Ų | 103 | 50.9 Ų | 50.9 | 67% | 0.669 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 142.2 | 171.1 | 29.1 | -33.8 | 0 | 0 | 0 | 110.8 | T318 | P262-T318 WeakPolarHBondContact O-CG2 3.25Š|
| 263 | L | 95.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 138.5 | 167.6 | -166.5 | 73.4 | 0 | 0 | 0 | 108.7 | P258 N276 R317 | P258-L263 HydrophobicContact CB-CB 4.32Å; P258-L263 HydrophobicContact CB-CD1 4.22Å; P258-L263 HydrophobicContact CG-CB 4.35Å; L263-N276 HydrophobicContact CD2-CB 3.89Å; L263-R317 HydrophobicContact CD1-CB 4.05Å; L263-R317 WeakPolarHBondContact CD1-O 3.27Å |
| 264 | L | 96.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 145 | 170.1 | -71.5 | 168.6 | 0 | 0 | 0 | 109.8 | D238 N276 R317 Q319 | D238-L264 HydrophobicContact CB-CD1 4.21Å; L264-N276 PolarHBondContact O-ND2 3.32Å; L264-R317 HydrophobicContact CB-CG 4.28Å; L264-R317 HydrophobicContact CD1-CG 4.27Å; L264-R317 PolarHBondContact N-O 2.82Å; L264-R317 PolarHBondContact O-NH1 2.69Å; L264-Q319 HydrophobicContact CD2-CB 4.17Å |
| 265 | P | 96.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 54 Ų | 54 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 160.6 | 174.6 | 27.5 | -34.8 | 0 | 0 | 0 | 111.4 | Y267 R317 | P265-Y267 PolarHBondContact O-N 2.73Å; P265-R317 PolarHBondContact O-NH1 3.04Å; P265-R317 PolarHBondContact O-NH2 2.92Å |
| 266 | S | 97.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 138.7 | 169.1 | -68.1 | 0 | 0 | 0 | 0 | 110 | V274 E275 N276 D350 | S266-V274 CarbonylContact C-O 3.6Å; S266-V274 VanDerWaalsContact CA-O 3.23Å; S266-V274 WeakPolarHBondContact CA-O 3.09Å; S266-V274 WeakPolarHBondContact CB-O 2.9Å; S266-E275 WeakPolarHBondContact OG-CA 3.22Å; S266-N276 PolarHBondContact N-ND2 2.84Å; S266-N276 PolarHBondContact OG-N 2.81Å; S266-N276 VanDerWaalsContact OG-N 3.07Å; S266-D350 WeakPolarHBondContact CB-O 3.22Å; S266-D350 PolarHBondContact OG-O 2.89Å |
| 267 | Y | 97.3 | Very high | 95.4 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -95.1 | 115.9 | 179.7 | 176.5 | -98.3 | 0 | 0 | 0 | 109.8 | P265 G270 K273 V274 C352 | P265-Y267 PolarHBondContact O-N 2.73Å; Y267-G270 WeakPolarHBondContact OH-CA 3.22Å; Y267-G270 PolarHBondContact OH-N 3.42Å; Y267-K273 WeakPolarHBondContact O-CA 3.27Å; Y267-V274 PolarHBondContact N-O 2.75Å; Y267-V274 PolarHBondContact O-N 3.05Å; Y267-C352 PolarHBondContact O-SG 2.58Å |
| 268 | C | 96.7 | Very high | 95.3 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | trans | -121.6 | -4.6 | -168.6 | -52.2 | 0 | 0 | 0 | 0 | 114.6 | C352 | C268-C352 WeakPolarHBondContact CA-SG 3.31Å; C268-C352 HydrophobicContact CB-CB 3.54Å; C268-C352 WeakPolarHBondContact CB-SG 3.15Å; C268-C352 WeakPolarHBondContact SG-CA 3.39Å; C268-C352 WeakPolarHBondContact SG-CB 3.3Å; C268-C352 CovalentContact SG-SG 2.03Å; C268-C352 PolarHBondContact SG-SG 3.18Å | ||
| 269 | S | 91.6 | Very high | 95.3 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 80% | 0.797 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -94.8 | -11.8 | -169.6 | -48.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 270 | G | 90.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -95.1 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y267 Y272 | Y267-G270 WeakPolarHBondContact OH-CA 3.22Å; Y267-G270 PolarHBondContact OH-N 3.42Å; G270-Y272 PolarHBondContact O-N 3.15Å; G270-Y272 VanDerWaalsContact O-N 3.17Å |
| 271 | P | 94.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 62.5 Ų | 62.5 | 66% | 0.656 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -61.8 | -23.6 | 176.7 | 26.5 | -35 | 0 | 0 | 0 | 112.7 | M246 | M246-P271 HydrophobicContact SD-CG 4.16Š|
| 272 | Y | 97.8 | Very high | 96 | Very high | 66 Ų | 66 | 57 Ų | 57 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -128 | 133.9 | 176.4 | -56.1 | -69.9 | 0 | 0 | 0 | 109.9 | T245 K249 Q250 N251 G270 | T245-Y272 WeakPolarHBondContact O-CD2 3.13Å; K249-Y272 VanDerWaalsContact C-CD1 3.46Å; K249-Y272 VanDerWaalsContact C-CZ 3.49Å; K249-Y272 VanDerWaalsContact CA-CZ 3.43Å; K249-Y272 HydrophobicContact CB-CE1 4.2Å; K249-Y272 HydrophobicContact CB-CE2 3.98Å; K249-Y272 WeakPolarHBondContact CB-OH 3.28Å; K249-Y272 HydrophobicContact CG-CE2 4.13Å; K249-Y272 WeakPolarHBondContact O-CE1 3.33Å; Q250-Y272 WeakPolarHBondContact O-CB 3.21Å; N251-Y272 WeakPolarHBondContact OD1-CA 3.29Å; G270-Y272 PolarHBondContact O-N 3.15Å; G270-Y272 VanDerWaalsContact O-N 3.17Å |
| 273 | K | 97.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | trans | -89.6 | 148.7 | -175.1 | -63 | 172.8 | 166.1 | -166.4 | 0 | 111.1 | N251 L252 Y267 C352 | N251-K273 CarbonylContact C-O 3.55Å; N251-K273 WeakPolarHBondContact CA-O 3.37Å; N251-K273 PolarHBondContact OD1-N 2.94Å; L252-K273 PolarHBondContact N-O 3.11Å; Y267-K273 WeakPolarHBondContact O-CA 3.27Å; K273-C352 HydrophobicContact CD-CB 3.68Å; K273-C352 HydrophobicContact CG-CB 4.27Å; K273-C352 PolarHBondContact NZ-O 3.09Å; K273-C352 VanDerWaalsContact NZ-O 3.09Å | ||
| 274 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 109.1 | 166.6 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | T245 L252 V254 S266 Y267 | T245-V274 HydrophobicContact CG2-CG2 3.4Å; T245-V274 VanDerWaalsContact CG2-CG2 3.4Å; L252-V274 HydrophobicContact CB-CG2 4.45Å; L252-V274 CarbonylContact O-C 3.55Å; L252-V274 WeakPolarHBondContact O-CA 3.49Å; V254-V274 HydrophobicContact CB-CG1 4.36Å; V254-V274 HydrophobicContact CG2-CG1 3.42Å; V254-V274 VanDerWaalsContact CG2-CG1 3.42Å; S266-V274 CarbonylContact C-O 3.6Å; S266-V274 VanDerWaalsContact CA-O 3.23Å; S266-V274 WeakPolarHBondContact CA-O 3.09Å; S266-V274 WeakPolarHBondContact CB-O 2.9Å; Y267-V274 PolarHBondContact N-O 2.75Å; Y267-V274 PolarHBondContact O-N 3.05Å |
| 275 | E | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.8 | -176.2 | -67.9 | 168.3 | 126.5 | 0 | 0 | 110.1 | L252 L253 V254 S266 K302 E351 C352 | L252-E275 PolarHBondContact O-N 3.17Å; L253-E275 CarbonylContact C-O 3.5Å; L253-E275 WeakPolarHBondContact CA-O 3.31Å; L253-E275 HydrophobicContact CD2-CB 4.07Å; V254-E275 PolarHBondContact N-O 3.43Å; S266-E275 WeakPolarHBondContact OG-CA 3.22Å; E275-K302 VanDerWaalsContact CD-NZ 3.3Å; E275-K302 IonicContact OE1-NZ 3.94Å; E275-K302 PolarHBondContact OE1-NZ 2.92Å; E275-K302 VanDerWaalsContact OE1-NZ 3.13Å; E275-K302 WeakPolarHBondContact OE2-CD 3.42Å; E275-K302 VanDerWaalsContact OE2-CE 3.32Å; E275-K302 WeakPolarHBondContact OE2-CE 3.46Å; E275-K302 IonicContact OE2-NZ 3.3Å; E275-K302 PolarHBondContact OE2-NZ 3.38Å; E275-E351 VanDerWaalsContact OE1-CA 3.28Å; E275-E351 WeakPolarHBondContact OE1-CA 3.47Å; E275-C352 HydrophobicContact CG-CB 4.38Å; E275-C352 PolarHBondContact OE1-N 2.99Å |
| 276 | N | 98.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 143.8 | 178.9 | -66.5 | -45.4 | 0 | 0 | 0 | 110.8 | L263 L264 S266 K278 R317 I349 D350 | L263-N276 HydrophobicContact CD2-CB 3.89Å; L264-N276 PolarHBondContact O-ND2 3.32Å; S266-N276 PolarHBondContact N-ND2 2.84Å; S266-N276 PolarHBondContact OG-N 2.81Å; S266-N276 VanDerWaalsContact OG-N 3.07Å; N276-K278 PolarHBondContact O-N 3.5Å; N276-R317 VanDerWaalsContact CG-NH1 3.29Å; N276-R317 PolarHBondContact ND2-NH1 2.9Å; N276-R317 VanDerWaalsContact ND2-NH1 3.13Å; N276-R317 PolarHBondContact OD1-NH1 2.86Å; N276-I349 CarbonylContact O-C 3.47Å; N276-I349 WeakPolarHBondContact O-CA 3.47Å; N276-D350 PolarHBondContact O-N 3Å |
| 277 | V | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -64.7 | 121.8 | 160.3 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | V254 W255 I282 R291 W298 A344 A347 | V254-V277 PolarHBondContact O-N 2.83Å; W255-V277 HydrophobicContact CB-CG2 4.24Å; W255-V277 HydrophobicContact CE3-CB 3.78Å; W255-V277 HydrophobicContact CE3-CG1 3.6Å; W255-V277 HydrophobicContact CE3-CG2 4.48Å; W255-V277 HydrophobicContact CZ3-CB 4.48Å; W255-V277 HydrophobicContact CZ3-CG1 3.91Å; V277-I282 HydrophobicContact CG1-CG2 3.87Å; V277-R291 PolarHBondContact O-NH2 2.86Å; V277-W298 HydrophobicContact CG2-CH2 4.43Å; V277-A344 HydrophobicContact CG2-CB 3.47Å; V277-A344 VanDerWaalsContact CG2-CB 3.47Å; V277-A347 HydrophobicContact CG1-CB 4.25Å |
| 278 | K | 93.2 | Very high | 96.1 | Very high | 142 Ų | 142 | 58.4 Ų | 58.4 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | trans | -79.8 | -46.4 | -168 | 179.4 | 178.9 | -178.9 | 176.8 | 0 | 113.8 | N276 G348 D350 | N276-K278 PolarHBondContact O-N 3.5Å; K278-G348 PolarHBondContact N-O 2.94Å; K278-D350 HydrophobicContact CB-CB 4.29Å | ||
| 279 | P | 92.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -66.1 | 160.3 | -174.8 | -19.1 | 28.7 | 0 | 0 | 0 | 113.6 | W255 S281 R291 A347 G348 | W255-P279 WeakPolarHBondContact CZ3-O 3.31Å; P279-S281 PolarHBondContact O-N 2.76Å; P279-R291 PolarHBondContact O-NH2 3.49Å; P279-A347 HydrophobicContact CG-CB 4.03Å; P279-A347 WeakPolarHBondContact CG-O 3.31Å; P279-G348 WeakPolarHBondContact CD-O 3.49Å |
| 280 | K | 94.4 | Very high | 96.4 | Very high | 171 Ų | 171 | 51.8 Ų | 51.8 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -77.4 | -4 | 174.6 | -65.5 | -179.1 | -178.7 | 173.1 | 0 | 113.4 | S290 R291 | K280-S290 CarbonylContact O-C 3.52Å; K280-S290 WeakPolarHBondContact O-CA 3.41Å; K280-R291 WeakPolarHBondContact O-CB 3.35Å; K280-R291 PolarHBondContact O-N 2.82Å |
| 281 | S | 97.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.3 | 179.8 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | P279 V289 S290 | P279-S281 PolarHBondContact O-N 2.76Å; S281-V289 CarbonylContact C-O 3.47Å; S281-V289 WeakPolarHBondContact CA-O 3.36Å; S281-V289 WeakPolarHBondContact CB-O 3.24Å; S281-S290 WeakPolarHBondContact OG-CA 3.1Å |
| 282 | I | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.5 | 173.7 | 51.2 | 171.1 | 0 | 0 | 0 | 109 | W255 V277 V284 V289 W298 I343 A347 | W255-I282 HydrophobicContact CD2-CD1 3.83Å; W255-I282 HydrophobicContact CD2-CG1 4.37Å; W255-I282 HydrophobicContact CD2-CG2 4.22Å; W255-I282 HydrophobicContact CE3-CD1 4.33Å; W255-I282 HydrophobicContact CE3-CG1 4.49Å; W255-I282 HydrophobicContact CE3-CG2 3.61Å; W255-I282 HydrophobicContact CG-CD1 4.16Å; W255-I282 HydrophobicContact CH2-CB 4.35Å; W255-I282 HydrophobicContact CH2-CD1 4.38Å; W255-I282 HydrophobicContact CH2-CG1 3.89Å; W255-I282 HydrophobicContact CH2-CG2 3.88Å; W255-I282 HydrophobicContact CZ2-CD1 3.87Å; W255-I282 HydrophobicContact CZ2-CG1 3.72Å; W255-I282 HydrophobicContact CZ2-CG2 4.43Å; W255-I282 HydrophobicContact CZ3-CB 4.38Å; W255-I282 HydrophobicContact CZ3-CG1 4.29Å; W255-I282 HydrophobicContact CZ3-CG2 3.44Å; W255-I282 VanDerWaalsContact CZ3-CG2 3.44Å; V277-I282 HydrophobicContact CG1-CG2 3.87Å; I282-V284 HydrophobicContact CD1-CG2 3.87Å; I282-V284 HydrophobicContact CG1-CG2 4.25Å; I282-V289 PolarHBondContact N-O 2.75Å; I282-V289 PolarHBondContact O-N 3.34Å; I282-W298 HydrophobicContact CD1-CZ2 3.85Å; I282-I343 HydrophobicContact CB-CG2 3.79Å; I282-I343 HydrophobicContact CD1-CG2 4.16Å; I282-I343 HydrophobicContact CG1-CG2 4.49Å; I282-I343 HydrophobicContact CG2-CG2 4.11Å; I282-A347 HydrophobicContact CG2-CB 3.91Å |
| 283 | T | 98.2 | Very high | 96.7 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 115.4 | 170.8 | -57.3 | 0 | 0 | 0 | 0 | 108.6 | T287 | T283-T287 CarbonylContact C-O 3.55Å; T283-T287 WeakPolarHBondContact CA-O 2.91Å |
| 284 | V | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.7 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 108 | Y40 W59 I282 D286 T287 I343 | Y40-V284 HydrophobicContact CD1-CB 4.16Å; Y40-V284 HydrophobicContact CD1-CG1 3.78Å; Y40-V284 HydrophobicContact CD1-CG2 4.42Å; Y40-V284 HydrophobicContact CD2-CG1 4.14Å; Y40-V284 HydrophobicContact CD2-CG2 4.42Å; Y40-V284 HydrophobicContact CE1-CB 3.94Å; Y40-V284 HydrophobicContact CE1-CG1 4.05Å; Y40-V284 HydrophobicContact CE1-CG2 3.86Å; Y40-V284 HydrophobicContact CE2-CG1 4.4Å; Y40-V284 HydrophobicContact CE2-CG2 3.86Å; Y40-V284 HydrophobicContact CG-CG1 3.82Å; W59-V284 HydrophobicContact CH2-CG1 3.61Å; W59-V284 HydrophobicContact CZ2-CG1 3.77Å; W59-V284 HydrophobicContact CZ3-CG1 4.34Å; I282-V284 HydrophobicContact CD1-CG2 3.87Å; I282-V284 HydrophobicContact CG1-CG2 4.25Å; V284-D286 PolarHBondContact O-N 3.28Å; V284-T287 PolarHBondContact N-O 3.35Å; V284-T287 PolarHBondContact O-N 2.79Å; V284-I343 HydrophobicContact CB-CD1 4.44Å; V284-I343 HydrophobicContact CG1-CD1 4.19Å; V284-I343 HydrophobicContact CG2-CD1 4.3Å |
| 285 | K | 95.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | -98.1 | -166.7 | -171.6 | -169.9 | -177.6 | -75.1 | 0 | 110.8 | Q49 W59 E60 | Q49-K285 VanDerWaalsContact CD-CD 3.42Å; Q49-K285 HydrophobicContact CG-CB 4.43Å; Q49-K285 HydrophobicContact CG-CD 4.28Å; W59-K285 HydrophobicContact CB-CD 3.99Å; W59-K285 HydrophobicContact CB-CG 4.27Å; W59-K285 HydrophobicContact CD2-CB 4.33Å; W59-K285 HydrophobicContact CG-CB 4.2Å; W59-K285 HydrophobicContact CG-CD 4.34Å; W59-K285 HydrophobicContact CG-CG 4.25Å; E60-K285 VanDerWaalsContact O-CE 3.31Å; E60-K285 WeakPolarHBondContact O-CE 3.47Å |
| 286 | D | 94.5 | Very high | 96.3 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 0.4 | -177.2 | 45.7 | 15.4 | 0 | 0 | 0 | 112.8 | Q49 V284 | Q49-D286 PolarHBondContact NE2-OD1 3.4Å; V284-D286 PolarHBondContact O-N 3.28Å |
| 287 | T | 96.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.1 | -173.9 | -56 | 0 | 0 | 0 | 0 | 111.6 | I42 T283 V284 V289 | I42-T287 HydrophobicContact CG2-CG2 4.18Å; T283-T287 CarbonylContact C-O 3.55Å; T283-T287 WeakPolarHBondContact CA-O 2.91Å; V284-T287 PolarHBondContact N-O 3.35Å; V284-T287 PolarHBondContact O-N 2.79Å; T287-V289 HydrophobicContact CG2-CG2 3.86Å; T287-V289 PolarHBondContact O-N 3.23Å |
| 288 | L | 97.7 | Very high | 96.3 | Very high | 122 Ų | 122 | 56.6 Ų | 56.6 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 120.6 | 171.1 | -176.1 | 68.9 | 0 | 0 | 0 | 110.3 | ||
| 289 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.7 | -178.5 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | Y40 P43 A148 S281 I282 T287 Q293 D294 | Y40-V289 HydrophobicContact CE1-CG2 4.14Å; P43-V289 HydrophobicContact CG-CB 4.44Å; P43-V289 HydrophobicContact CG-CG1 3.79Å; P43-V289 HydrophobicContact CG-CG2 3.91Å; A148-V289 HydrophobicContact CB-CG1 4.05Å; S281-V289 CarbonylContact C-O 3.47Å; S281-V289 WeakPolarHBondContact CA-O 3.36Å; S281-V289 WeakPolarHBondContact CB-O 3.24Å; I282-V289 PolarHBondContact N-O 2.75Å; I282-V289 PolarHBondContact O-N 3.34Å; T287-V289 HydrophobicContact CG2-CG2 3.86Å; T287-V289 PolarHBondContact O-N 3.23Å; V289-Q293 HydrophobicContact CG1-CB 4.27Å; V289-D294 HydrophobicContact CG1-CB 3.93Å |
| 290 | S | 97.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 149.7 | 170.9 | 74.7 | 0 | 0 | 0 | 0 | 111.3 | K280 S281 R292 Q293 D294 | K280-S290 CarbonylContact O-C 3.52Å; K280-S290 WeakPolarHBondContact O-CA 3.41Å; S281-S290 WeakPolarHBondContact OG-CA 3.1Å; S290-R292 PolarHBondContact O-N 2.95Å; S290-R292 VanDerWaalsContact O-N 3.1Å; S290-Q293 CarbonylContact O-C 3.52Å; S290-Q293 WeakPolarHBondContact O-CA 3.48Å; S290-Q293 WeakPolarHBondContact O-CB 3.49Å; S290-Q293 PolarHBondContact O-N 3.35Å; S290-Q293 VanDerWaalsContact OG-CD 3.29Å; S290-Q293 WeakPolarHBondContact OG-CG 3.43Å; S290-Q293 PolarHBondContact OG-OE1 3.34Å; S290-D294 PolarHBondContact O-N 2.86Å |
| 291 | R | 96.6 | Very high | 97 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -54.6 | -30.5 | 176.1 | -171.6 | 173.2 | -67.1 | 171 | -4.4 | 113.4 | W255 S256 N257 V277 P279 K280 Q293 D294 | W255-R291 HydrophobicContact CH2-CB 3.63Å; W255-R291 HydrophobicContact CH2-CG 4.19Å; W255-R291 HydrophobicContact CZ2-CB 3.74Å; W255-R291 HydrophobicContact CZ2-CG 4.08Å; W255-R291 VanDerWaalsContact CZ3-NH2 3.28Å; S256-R291 VanDerWaalsContact O-CD 3.3Å; S256-R291 WeakPolarHBondContact O-CD 3.48Å; S256-R291 PolarHBondContact O-NE 3.33Å; N257-R291 HydrophobicContact CB-CG 4.13Å; N257-R291 PolarHBondContact ND2-O 3.13Å; V277-R291 PolarHBondContact O-NH2 2.86Å; P279-R291 PolarHBondContact O-NH2 3.49Å; K280-R291 WeakPolarHBondContact O-CB 3.35Å; K280-R291 PolarHBondContact O-N 2.82Å; R291-Q293 VanDerWaalsContact C-N 3.3Å; R291-D294 PolarHBondContact O-N 2.99Å; R291-D294 VanDerWaalsContact O-O 3.13Å |
| 292 | R | 94.9 | Very high | 97.1 | Very high | 214 Ų | 214 | 40.7 Ų | 40.7 | 81% | 0.808 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -73.7 | -25.4 | 177 | -67.3 | -173.7 | 176.4 | -161.7 | -1.1 | 112.8 | K147 S290 | K147-R292 WeakPolarHBondContact CE-O 2.89Å; S290-R292 PolarHBondContact O-N 2.95Å; S290-R292 VanDerWaalsContact O-N 3.1Å |
| 293 | Q | 96.7 | Very high | 97 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -91.1 | 1.8 | 178 | -69.5 | 167.4 | -50.5 | 0 | 0 | 112.8 | P43 K147 A148 V289 S290 R291 | P43-Q293 HydrophobicContact CB-CB 4.38Å; P43-Q293 HydrophobicContact CG-CB 4.38Å; K147-Q293 CarbonylContact C-O 3.59Å; K147-Q293 VanDerWaalsContact CA-O 3.31Å; K147-Q293 WeakPolarHBondContact CA-O 3.16Å; K147-Q293 WeakPolarHBondContact CB-O 3.44Å; A148-Q293 PolarHBondContact N-O 2.03Å; V289-Q293 HydrophobicContact CG1-CB 4.27Å; S290-Q293 CarbonylContact O-C 3.52Å; S290-Q293 WeakPolarHBondContact O-CA 3.48Å; S290-Q293 WeakPolarHBondContact O-CB 3.49Å; S290-Q293 PolarHBondContact O-N 3.35Å; S290-Q293 VanDerWaalsContact OG-CD 3.29Å; S290-Q293 WeakPolarHBondContact OG-CG 3.43Å; S290-Q293 PolarHBondContact OG-OE1 3.34Å; R291-Q293 VanDerWaalsContact C-N 3.3Å |
| 294 | D | 97 | Very high | 97 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 123.1 | -179.2 | -173.5 | 0.4 | 0 | 0 | 0 | 109.8 | Y40 A148 W255 N257 V289 S290 R291 S296 | Y40-D294 PolarHBondContact OH-OD2 3Å; A148-D294 HydrophobicContact CB-CB 4.12Å; W255-D294 PolarHBondContact NE1-OD2 2.81Å; N257-D294 VanDerWaalsContact CB-O 3.25Å; N257-D294 WeakPolarHBondContact CB-O 3.35Å; N257-D294 PolarHBondContact ND2-O 2.92Å; V289-D294 HydrophobicContact CG1-CB 3.93Å; S290-D294 PolarHBondContact O-N 2.86Å; R291-D294 PolarHBondContact O-N 2.99Å; R291-D294 VanDerWaalsContact O-O 3.13Å; D294-S296 VanDerWaalsContact CG-OG 3.28Å; D294-S296 WeakPolarHBondContact OD1-CA 3.24Å; D294-S296 VanDerWaalsContact OD1-CB 3.22Å; D294-S296 WeakPolarHBondContact OD1-CB 3.05Å; D294-S296 PolarHBondContact OD1-N 3.05Å; D294-S296 PolarHBondContact OD1-OG 2.78Å; D294-S296 PolarHBondContact OD2-OG 2.81Å |
| 295 | T | 93.9 | Very high | 97 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | trans | -88.2 | -13.7 | 175 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | T128 K147 A148 N149 | T128-T295 PolarHBondContact O-OG1 3.38Å; T128-T295 VanDerWaalsContact O-OG1 3.13Å; T128-T295 PolarHBondContact OG1-OG1 3.4Å; T128-T295 VanDerWaalsContact OG1-OG1 3.07Å; K147-T295 HydrophobicContact CB-CG2 3.7Å; K147-T295 HydrophobicContact CD-CG2 3.5Å; K147-T295 HydrophobicContact CG-CG2 4.24Å; A148-T295 PolarHBondContact O-N 3.31Å; A148-T295 PolarHBondContact O-OG1 3.24Å; N149-T295 WeakPolarHBondContact OD1-CG2 3.28Å; N149-T295 PolarHBondContact OD1-OG1 2.84Å | ||
| 296 | S | 95.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -74.7 | 149.7 | -172.5 | 77.5 | 0 | 0 | 0 | 0 | 111.3 | D294 | D294-S296 VanDerWaalsContact CG-OG 3.28Å; D294-S296 WeakPolarHBondContact OD1-CA 3.24Å; D294-S296 VanDerWaalsContact OD1-CB 3.22Å; D294-S296 WeakPolarHBondContact OD1-CB 3.05Å; D294-S296 PolarHBondContact OD1-N 3.05Å; D294-S296 PolarHBondContact OD1-OG 2.78Å; D294-S296 PolarHBondContact OD2-OG 2.81Å | ||
| 297 | N | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.9 | 163.5 | -43.4 | -87.5 | 0 | 0 | 0 | 106.1 | W255 S256 N257 S313 | W255-N297 CarbonylContact O-C 3.58Å; W255-N297 VanDerWaalsContact O-CA 3.27Å; W255-N297 WeakPolarHBondContact O-CA 2.96Å; S256-N297 WeakPolarHBondContact CA-OD1 3.37Å; S256-N297 VanDerWaalsContact CB-OD1 3.28Å; S256-N297 WeakPolarHBondContact CB-OD1 3.47Å; S256-N297 PolarHBondContact OG-OD1 3.28Å; N257-N297 PolarHBondContact N-OD1 2.95Å; N257-N297 VanDerWaalsContact N-OD1 3.09Å; N297-S313 WeakPolarHBondContact CB-O 3.46Å; N297-S313 PolarHBondContact N-O 2.72Å; N297-S313 PolarHBondContact ND2-O 3.23Å; N297-S313 VanDerWaalsContact ND2-O 3.17Å; N297-S313 PolarHBondContact O-N 3.41Å |
| 298 | W | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 156.9 | -179.4 | 55.7 | -102.3 | 0 | 0 | 0 | 111.3 | L150 W255 V277 I282 F310 C311 F340 I343 A344 | L150-W298 HydrophobicContact CD1-CB 3.89Å; L150-W298 HydrophobicContact CD1-CG 4.15Å; W255-W298 HydrophobicContact CB-CD2 3.67Å; W255-W298 HydrophobicContact CB-CE3 4.11Å; W255-W298 HydrophobicContact CB-CG 4.24Å; W255-W298 HydrophobicContact CB-CH2 3.86Å; W255-W298 HydrophobicContact CB-CZ2 3.38Å; W255-W298 HydrophobicContact CB-CZ3 4.19Å; W255-W298 AromaticContact CD1-CD1 3.64Å; W255-W298 AromaticContact CD1-CE2 3.77Å; W255-W298 AromaticContact CD1-NE1 3.15Å; W255-W298 HydrophobicContact CG-CD2 4.43Å; W255-W298 AromaticContact CG-CE2 3.67Å; W255-W298 AromaticContact CG-CZ2 3.83Å; W255-W298 HydrophobicContact CG-CZ2 3.83Å; W255-W298 AromaticContact CG-NE1 3.56Å; W255-W298 PolarHBondContact N-O 2.95Å; W255-W298 AromaticContact NE1-NE1 3.98Å; W255-W298 PolarHBondContact O-N 3.01Å; V277-W298 HydrophobicContact CG2-CH2 4.43Å; I282-W298 HydrophobicContact CD1-CZ2 3.85Å; W298-F310 HydrophobicContact CB-CE2 3.78Å; W298-F310 HydrophobicContact CB-CZ 4.24Å; W298-F310 HydrophobicContact CG-CE2 4.25Å; W298-C311 CarbonylContact C-O 3.55Å; W298-C311 WeakPolarHBondContact CA-O 3.4Å; W298-C311 VanDerWaalsContact CB-O 3.26Å; W298-C311 WeakPolarHBondContact CB-O 3.34Å; W298-F340 AromaticContact CD2-CD1 3.9Å; W298-F340 HydrophobicContact CD2-CD1 3.9Å; W298-F340 HydrophobicContact CE3-CB 4.19Å; W298-F340 HydrophobicContact CE3-CD1 4.1Å; W298-F340 HydrophobicContact CG-CD1 4.33Å; W298-F340 WeakPolarHBondContact CH2-O 3.12Å; W298-F340 HydrophobicContact CZ2-CD1 4.36Å; W298-F340 HydrophobicContact CZ3-CB 4.07Å; W298-F340 HydrophobicContact CZ3-CD1 4.43Å; W298-I343 HydrophobicContact CH2-CB 4.49Å; W298-I343 HydrophobicContact CH2-CG2 4.31Å; W298-I343 HydrophobicContact CZ2-CG2 4.15Å; W298-A344 HydrophobicContact CH2-CB 3.94Å; W298-A344 HydrophobicContact CZ3-CB 4.23Å |
| 299 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.4 | -176.2 | -170 | 0 | 0 | 0 | 0 | 108.4 | Y240 M244 L252 L253 V254 F310 C311 | Y240-V299 HydrophobicContact CD1-CG2 3.63Å; Y240-V299 HydrophobicContact CE1-CG2 3.42Å; Y240-V299 VanDerWaalsContact CE1-CG2 3.42Å; M244-V299 HydrophobicContact CE-CB 4.12Å; M244-V299 HydrophobicContact CE-CG1 4.15Å; M244-V299 HydrophobicContact CE-CG2 3.83Å; M244-V299 HydrophobicContact SD-CG2 4.47Å; L252-V299 HydrophobicContact CB-CG1 3.71Å; L252-V299 HydrophobicContact CD1-CG1 4.01Å; L252-V299 HydrophobicContact CD2-CG1 3.92Å; L252-V299 HydrophobicContact CG-CG1 4.06Å; L253-V299 VanDerWaalsContact O-CA 3.29Å; L253-V299 WeakPolarHBondContact O-CA 3.48Å; V254-V299 HydrophobicContact CG2-CG1 4.24Å; V254-V299 HydrophobicContact CG2-CG2 4.16Å; V299-F310 CarbonylContact O-C 3.57Å; V299-F310 WeakPolarHBondContact O-CA 3.45Å; V299-F310 WeakPolarHBondContact O-CD2 3.42Å; V299-C311 HydrophobicContact CB-CB 4.01Å; V299-C311 HydrophobicContact CG2-CB 4.42Å; V299-C311 PolarHBondContact N-O 2.79Å; V299-C311 PolarHBondContact O-N 3.17Å |
| 300 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L253 V309 Q337 F340 | L253-A300 PolarHBondContact N-O 3.02Å; L253-A300 PolarHBondContact O-N 2.87Å; A300-V309 WeakPolarHBondContact CA-O 3.36Å; A300-Q337 HydrophobicContact CB-CG 4.34Å; A300-F340 HydrophobicContact CB-CB 4.08Å |
| 301 | S | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 144.2 | 165.6 | -43.5 | 0 | 0 | 0 | 0 | 109.4 | Q250 N251 A308 V309 Q337 | Q250-S301 PolarHBondContact OE1-OG 2.99Å; N251-S301 CarbonylContact O-C 3.58Å; N251-S301 WeakPolarHBondContact O-CA 3.45Å; S301-A308 WeakPolarHBondContact OG-CA 3.25Å; S301-V309 PolarHBondContact N-O 2.91Å; S301-V309 PolarHBondContact OG-N 2.91Å; S301-V309 PolarHBondContact OG-O 3.5Å; S301-Q337 PolarHBondContact O-NE2 2.84Å |
| 302 | K | 98.2 | Very high | 97.4 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 26% | 0.261 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -69.4 | -44.9 | 179 | -176.8 | 173.9 | -168 | 168.2 | 0 | 111.9 | N251 L253 E275 | N251-K302 HydrophobicContact CB-CB 4.09Å; N251-K302 PolarHBondContact O-N 2.93Å; L253-K302 HydrophobicContact CD1-CB 4.49Å; L253-K302 HydrophobicContact CD1-CG 4.41Å; L253-K302 HydrophobicContact CD2-CB 4.17Å; L253-K302 HydrophobicContact CD2-CD 4.26Å; L253-K302 HydrophobicContact CD2-CG 4.05Å; L253-K302 HydrophobicContact CG-CB 4.04Å; L253-K302 HydrophobicContact CG-CG 4.27Å; E275-K302 VanDerWaalsContact CD-NZ 3.3Å; E275-K302 IonicContact OE1-NZ 3.94Å; E275-K302 PolarHBondContact OE1-NZ 2.92Å; E275-K302 VanDerWaalsContact OE1-NZ 3.13Å; E275-K302 WeakPolarHBondContact OE2-CD 3.42Å; E275-K302 VanDerWaalsContact OE2-CE 3.32Å; E275-K302 WeakPolarHBondContact OE2-CE 3.46Å; E275-K302 IonicContact OE2-NZ 3.3Å; E275-K302 PolarHBondContact OE2-NZ 3.38Å |
| 303 | A | 97.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 24.4 Ų | 24.4 | 53% | 0.529 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -104.6 | 138.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 304 | P | 97.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 20.9 Ų | 20.9 | 52% | 0.519 | 14% | 0.143 | S | C | . | . | trans | -67.4 | 137.5 | 172.7 | 29.4 | -34 | 0 | 0 | 0 | 110.2 | Q334 | P304-Q334 HydrophobicContact CB-CG 4.09Š| ||
| 305 | S | 97 | Very high | 97 | Very high | 45 Ų | 45 | 21 Ų | 21 | 32% | 0.315 | 14% | 0.144 | S | C | . | . | trans | -160.2 | 167.8 | 172.1 | 74.3 | 0 | 0 | 0 | 0 | 109.2 | S307 A308 Q334 | S305-S307 PolarHBondContact O-N 3.46Å; S305-S307 PolarHBondContact OG-N 2.85Å; S305-S307 PolarHBondContact OG-OG 2.84Å; S305-A308 WeakPolarHBondContact O-CB 3.46Å; S305-A308 PolarHBondContact O-N 3.33Å; S305-A308 PolarHBondContact OG-N 3.28Å; S305-Q334 VanDerWaalsContact C-OE1 3.27Å; S305-Q334 PolarHBondContact O-OE1 3.4Å | ||
| 306 | A | 95 | Very high | 97.1 | Very high | 89 Ų | 89 | 21.1 Ų | 21.1 | 74% | 0.736 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 307 | S | 96.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 39% | 0.392 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.6 | 177.9 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | Q250 S305 | Q250-S307 PolarHBondContact NE2-O 2.57Å; Q250-S307 PolarHBondContact NE2-OG 3.05Å; S305-S307 PolarHBondContact O-N 3.46Å; S305-S307 PolarHBondContact OG-N 2.85Å; S305-S307 PolarHBondContact OG-OG 2.84Å |
| 308 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -66.2 | 139 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S301 S305 H333 Q337 | S301-A308 WeakPolarHBondContact OG-CA 3.25Å; S305-A308 WeakPolarHBondContact O-CB 3.46Å; S305-A308 PolarHBondContact O-N 3.33Å; S305-A308 PolarHBondContact OG-N 3.28Å; A308-H333 PolarHBondContact O-N 2.77Å; A308-Q337 HydrophobicContact CB-CB 4.26Å; A308-Q337 HydrophobicContact CB-CG 3.8Å | ||
| 309 | V | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.2 | -173.4 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | L248 A300 S301 C330 M331 E332 Q337 | L248-V309 HydrophobicContact CD1-CG2 3.79Å; L248-V309 HydrophobicContact CD2-CG1 4.13Å; L248-V309 HydrophobicContact CD2-CG2 4.36Å; A300-V309 WeakPolarHBondContact CA-O 3.36Å; S301-V309 PolarHBondContact N-O 2.91Å; S301-V309 PolarHBondContact OG-N 2.91Å; S301-V309 PolarHBondContact OG-O 3.5Å; V309-C330 HydrophobicContact CB-CB 4.46Å; V309-M331 CarbonylContact C-O 3.55Å; V309-M331 WeakPolarHBondContact CA-O 3.42Å; V309-E332 HydrophobicContact CG1-CB 4.22Å; V309-E332 HydrophobicContact CG1-CG 4.45Å; V309-Q337 WeakPolarHBondContact O-CG 3.37Å |
| 310 | F | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.1 | 157.4 | 167.1 | -107.8 | 0 | 0 | 0 | 108.3 | I38 L150 W298 V299 V312 C330 M331 V336 F340 | I38-F310 HydrophobicContact CD1-CD1 3.93Å; I38-F310 HydrophobicContact CD1-CE1 3.84Å; I38-F310 HydrophobicContact CG2-CE1 4.35Å; L150-F310 HydrophobicContact CD1-CZ 4.08Å; W298-F310 HydrophobicContact CB-CE2 3.78Å; W298-F310 HydrophobicContact CB-CZ 4.24Å; W298-F310 HydrophobicContact CG-CE2 4.25Å; V299-F310 CarbonylContact O-C 3.57Å; V299-F310 WeakPolarHBondContact O-CA 3.45Å; V299-F310 WeakPolarHBondContact O-CD2 3.42Å; F310-V312 HydrophobicContact CE1-CG2 3.67Å; F310-V312 HydrophobicContact CZ-CG2 3.75Å; F310-C330 CarbonylContact O-C 3.56Å; F310-C330 WeakPolarHBondContact O-CA 3.32Å; F310-M331 HydrophobicContact CD1-CE 4.21Å; F310-M331 PolarHBondContact N-O 3.29Å; F310-M331 PolarHBondContact O-N 3.21Å; F310-V336 HydrophobicContact CB-CB 4.42Å; F310-V336 HydrophobicContact CB-CG1 3.7Å; F310-V336 HydrophobicContact CD1-CG1 3.67Å; F310-V336 HydrophobicContact CE1-CG1 4.49Å; F310-V336 HydrophobicContact CG-CG1 3.77Å; F310-F340 HydrophobicContact CD1-CD2 4.41Å; F310-F340 HydrophobicContact CD1-CE2 4.31Å; F310-F340 HydrophobicContact CD2-CB 3.76Å; F310-F340 HydrophobicContact CD2-CD1 4.04Å; F310-F340 AromaticContact CD2-CD2 3.4Å; F310-F340 HydrophobicContact CD2-CD2 3.4Å; F310-F340 VanDerWaalsContact CD2-CD2 3.4Å; F310-F340 HydrophobicContact CD2-CE1 4.49Å; F310-F340 AromaticContact CD2-CE2 3.94Å; F310-F340 HydrophobicContact CD2-CE2 3.94Å; F310-F340 AromaticContact CD2-CG 3.46Å; F310-F340 HydrophobicContact CD2-CG 3.46Å; F310-F340 VanDerWaalsContact CD2-CG 3.46Å; F310-F340 HydrophobicContact CD2-CZ 4.45Å; F310-F340 HydrophobicContact CE1-CD2 4.39Å; F310-F340 AromaticContact CE1-CE2 3.95Å; F310-F340 HydrophobicContact CE1-CE2 3.95Å; F310-F340 HydrophobicContact CE1-CZ 4.17Å; F310-F340 HydrophobicContact CE2-CB 3.98Å; F310-F340 AromaticContact CE2-CD1 3.36Å; F310-F340 HydrophobicContact CE2-CD1 3.36Å; F310-F340 AromaticContact CE2-CD2 3.38Å; F310-F340 HydrophobicContact CE2-CD2 3.38Å; F310-F340 AromaticContact CE2-CE1 3.52Å; F310-F340 HydrophobicContact CE2-CE1 3.52Å; F310-F340 AromaticContact CE2-CE2 3.55Å; F310-F340 HydrophobicContact CE2-CE2 3.55Å; F310-F340 AromaticContact CE2-CG 3.27Å; F310-F340 HydrophobicContact CE2-CG 3.27Å; F310-F340 AromaticContact CE2-CZ 3.62Å; F310-F340 HydrophobicContact CE2-CZ 3.62Å; F310-F340 AromaticContact CG-CD2 3.94Å; F310-F340 HydrophobicContact CG-CD2 3.94Å; F310-F340 HydrophobicContact CG-CE2 4.29Å; F310-F340 HydrophobicContact CG-CG 4.41Å; F310-F340 HydrophobicContact CZ-CD1 4.04Å; F310-F340 AromaticContact CZ-CD2 3.89Å; F310-F340 HydrophobicContact CZ-CD2 3.89Å; F310-F340 AromaticContact CZ-CE1 3.69Å; F310-F340 HydrophobicContact CZ-CE1 3.69Å; F310-F340 AromaticContact CZ-CE2 3.54Å; F310-F340 HydrophobicContact CZ-CE2 3.54Å; F310-F340 HydrophobicContact CZ-CG 4.12Å; F310-F340 AromaticContact CZ-CZ 3.43Å; F310-F340 HydrophobicContact CZ-CZ 3.43Å; F310-F340 VanDerWaalsContact CZ-CZ 3.43Å |
| 311 | C | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.7 | 178.2 | -42.3 | 0 | 0 | 0 | 0 | 112.8 | M244 W298 V299 V328 L329 C330 | M244-C311 HydrophobicContact CE-CB 4.12Å; W298-C311 CarbonylContact C-O 3.55Å; W298-C311 WeakPolarHBondContact CA-O 3.4Å; W298-C311 VanDerWaalsContact CB-O 3.26Å; W298-C311 WeakPolarHBondContact CB-O 3.34Å; V299-C311 HydrophobicContact CB-CB 4.01Å; V299-C311 HydrophobicContact CG2-CB 4.42Å; V299-C311 PolarHBondContact N-O 2.79Å; V299-C311 PolarHBondContact O-N 3.17Å; C311-V328 HydrophobicContact CB-CG1 3.65Å; C311-L329 CarbonylContact C-O 3.59Å; C311-L329 WeakPolarHBondContact CA-O 3.2Å; C311-L329 WeakPolarHBondContact CB-O 3.22Å; C311-C330 HydrophobicContact CB-CB 3.91Å; C311-C330 WeakPolarHBondContact CB-SG 2.95Å; C311-C330 VanDerWaalsContact SG-CA 3.6Å; C311-C330 WeakPolarHBondContact SG-CB 3.41Å; C311-C330 CovalentContact SG-SG 2.03Å; C311-C330 PolarHBondContact SG-SG 3.23Å |
| 312 | V | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.7 | 168.1 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | F126 T128 L150 V152 F310 V328 L329 | F126-V312 HydrophobicContact CD1-CB 4.08Å; F126-V312 HydrophobicContact CD1-CG1 4.04Å; F126-V312 HydrophobicContact CE1-CB 4.15Å; F126-V312 HydrophobicContact CE1-CG1 4.02Å; F126-V312 WeakPolarHBondContact CE1-O 3.49Å; T128-V312 HydrophobicContact CG2-CG1 3.96Å; L150-V312 HydrophobicContact CB-CG1 3.82Å; L150-V312 HydrophobicContact CB-CG2 4.32Å; L150-V312 HydrophobicContact CD1-CG1 4.03Å; L150-V312 HydrophobicContact CD1-CG2 3.91Å; V152-V312 HydrophobicContact CG2-CG2 3.63Å; F310-V312 HydrophobicContact CE1-CG2 3.67Å; F310-V312 HydrophobicContact CZ-CG2 3.75Å; V312-V328 WeakPolarHBondContact O-CA 3.4Å; V312-V328 WeakPolarHBondContact O-CG1 3.32Å; V312-L329 PolarHBondContact N-O 3.36Å; V312-L329 PolarHBondContact O-N 3.15Å |
| 313 | S | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.8 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 111 | Y240 N297 T315 | Y240-S313 WeakPolarHBondContact OH-CB 3.25Å; Y240-S313 PolarHBondContact OH-OG 3.34Å; N297-S313 WeakPolarHBondContact CB-O 3.46Å; N297-S313 PolarHBondContact N-O 2.72Å; N297-S313 PolarHBondContact ND2-O 3.23Å; N297-S313 VanDerWaalsContact ND2-O 3.17Å; N297-S313 PolarHBondContact O-N 3.41Å; S313-T315 PolarHBondContact OG-N 3.1Å; S313-T315 VanDerWaalsContact OG-N 3.11Å; S313-T315 PolarHBondContact OG-O 3.29Å |
| 314 | I | 91.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -88.8 | -7.1 | 173.1 | 54.2 | 86.8 | 0 | 0 | 0 | 112.5 | N110 T111 F126 G327 | N110-I314 VanDerWaalsContact C-CD1 3.49Å; N110-I314 HydrophobicContact CB-CB 4.33Å; N110-I314 HydrophobicContact CB-CD1 3.67Å; N110-I314 WeakPolarHBondContact CB-O 3.01Å; N110-I314 PolarHBondContact ND2-O 3.13Å; N110-I314 WeakPolarHBondContact O-CB 3.14Å; T111-I314 VanDerWaalsContact OG1-CD1 3.3Å; T111-I314 WeakPolarHBondContact OG1-CD1 3.16Å; F126-I314 HydrophobicContact CE1-CG2 3.79Å; F126-I314 HydrophobicContact CE2-CG2 4.42Å; F126-I314 HydrophobicContact CZ-CB 4.41Å; F126-I314 HydrophobicContact CZ-CG1 4.11Å; F126-I314 HydrophobicContact CZ-CG2 3.61Å; I314-G327 WeakPolarHBondContact CG1-O 3.41Å; I314-G327 PolarHBondContact N-O 2.9Å |
| 315 | T | 93.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -100.9 | 115.5 | -175.1 | -58.4 | 0 | 0 | 0 | 0 | 110.2 | Y240 S313 A321 S326 | Y240-T315 WeakPolarHBondContact CE2-O 3.49Å; Y240-T315 PolarHBondContact OH-O 3.43Å; S313-T315 PolarHBondContact OG-N 3.1Å; S313-T315 VanDerWaalsContact OG-N 3.11Å; S313-T315 PolarHBondContact OG-O 3.29Å; T315-A321 HydrophobicContact CG2-CB 3.64Å; T315-S326 WeakPolarHBondContact CG2-OG 3.46Å; T315-S326 WeakPolarHBondContact OG1-CA 3.21Å; T315-S326 WeakPolarHBondContact OG1-CB 3.46Å; T315-S326 PolarHBondContact OG1-OG 3.43Å |
| 316 | P | 95.2 | Very high | 95.6 | Very high | 26 Ų | 26 | 23 Ų | 23 | 17% | 0.169 | 15% | 0.15 | C | C | . | . | trans | -67.1 | 145.4 | 174.6 | 30.6 | -35.5 | 0 | 0 | 0 | 110.6 | S256 N257 T318 A321 | S256-P316 WeakPolarHBondContact OG-CA 3.37Å; N257-P316 VanDerWaalsContact O-CB 3.3Å; N257-P316 WeakPolarHBondContact O-CB 3.32Å; P316-T318 VanDerWaalsContact C-N 3.29Å; P316-T318 HydrophobicContact CB-CG2 4.21Å; P316-T318 PolarHBondContact O-N 3.49Å; P316-A321 HydrophobicContact CG-CB 4.3Å; P316-A321 WeakPolarHBondContact O-CB 3.26Å | ||
| 317 | R | 96.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -80.4 | 72.7 | -176.5 | -168.5 | 169.2 | 179.4 | -95.8 | -10.8 | 111.7 | D238 Y240 V254 S256 L263 L264 P265 N276 | D238-R317 IonicContact OD2-CZ 2.83Å; D238-R317 IonicContact OD2-NE 2.64Å; D238-R317 PolarHBondContact OD2-NE 2.91Å; D238-R317 IonicContact OD2-NH2 3.62Å; Y240-R317 HydrophobicContact CD2-CB 3.93Å; Y240-R317 HydrophobicContact CD2-CG 3.72Å; Y240-R317 HydrophobicContact CE2-CB 3.71Å; Y240-R317 HydrophobicContact CE2-CG 4.05Å; Y240-R317 HydrophobicContact CG-CG 4.48Å; V254-R317 HydrophobicContact CG1-CB 4.49Å; S256-R317 PolarHBondContact OG-N 2.91Å; L263-R317 HydrophobicContact CD1-CB 4.05Å; L263-R317 WeakPolarHBondContact CD1-O 3.27Å; L264-R317 HydrophobicContact CB-CG 4.28Å; L264-R317 HydrophobicContact CD1-CG 4.27Å; L264-R317 PolarHBondContact N-O 2.82Å; L264-R317 PolarHBondContact O-NH1 2.69Å; P265-R317 PolarHBondContact O-NH1 3.04Å; P265-R317 PolarHBondContact O-NH2 2.92Å; N276-R317 VanDerWaalsContact CG-NH1 3.29Å; N276-R317 PolarHBondContact ND2-NH1 2.9Å; N276-R317 VanDerWaalsContact ND2-NH1 3.13Å; N276-R317 PolarHBondContact OD1-NH1 2.86Å |
| 318 | T | 96.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -132.6 | 157.9 | -175.1 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | P258 K261 P262 P316 A320 A321 | P258-T318 HydrophobicContact CB-CG2 3.47Å; P258-T318 VanDerWaalsContact CB-CG2 3.47Å; K261-T318 HydrophobicContact CB-CG2 4.06Å; P262-T318 WeakPolarHBondContact O-CG2 3.25Å; P316-T318 VanDerWaalsContact C-N 3.29Å; P316-T318 HydrophobicContact CB-CG2 4.21Å; P316-T318 PolarHBondContact O-N 3.49Å; T318-A320 VanDerWaalsContact C-N 3.25Å; T318-A320 PolarHBondContact O-N 3.47Å; T318-A321 WeakPolarHBondContact O-CB 3.24Å; T318-A321 PolarHBondContact O-N 2.9Å; T318-A321 WeakPolarHBondContact OG1-CB 3.31Å; T318-A321 PolarHBondContact OG1-N 2.83Å |
| 319 | Q | 96 | Very high | 95.7 | Very high | 122 Ų | 122 | 16.1 Ų | 16.1 | 57% | 0.57 | 10% | 0.097 | S | C | * | . | G | 310 helix | trans | -59.6 | -35.5 | 176.4 | -176 | 60.4 | 60.5 | 0 | 0 | 112.7 | L264 A321 T322 | L264-Q319 HydrophobicContact CD2-CB 4.17Å; Q319-A321 PolarHBondContact O-N 2.9Å; Q319-T322 PolarHBondContact NE2-OG1 3.25Å; Q319-T322 PolarHBondContact O-N 3.41Å; Q319-T322 PolarHBondContact O-OG1 3.25Å |
| 320 | A | 93.2 | Very high | 95.7 | Very high | 54 Ų | 54 | 16.1 Ų | 16.1 | 45% | 0.446 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -64.4 | -30.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T318 T322 S323 | T318-A320 VanDerWaalsContact C-N 3.25Å; T318-A320 PolarHBondContact O-N 3.47Å; A320-T322 VanDerWaalsContact C-N 3.3Å; A320-T322 PolarHBondContact O-N 3.17Å; A320-S323 PolarHBondContact O-N 3.3Å |
| 321 | A | 94.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 5% | 0.05 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -78.8 | -11 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | T315 P316 T318 Q319 S323 I324 | T315-A321 HydrophobicContact CG2-CB 3.64Å; P316-A321 HydrophobicContact CG-CB 4.3Å; P316-A321 WeakPolarHBondContact O-CB 3.26Å; T318-A321 WeakPolarHBondContact O-CB 3.24Å; T318-A321 PolarHBondContact O-N 2.9Å; T318-A321 WeakPolarHBondContact OG1-CB 3.31Å; T318-A321 PolarHBondContact OG1-N 2.83Å; Q319-A321 PolarHBondContact O-N 2.9Å; A321-S323 PolarHBondContact O-N 2.94Å; A321-I324 HydrophobicContact CB-CD1 4.28Å; A321-I324 HydrophobicContact CB-CG1 4.34Å; A321-I324 WeakPolarHBondContact O-CG1 3.36Å; A321-I324 PolarHBondContact O-N 3.06Å |
| 322 | T | 95 | Very high | 95.6 | Very high | 10 Ų | 10 | 18.2 Ų | 18.2 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -65.1 | -28.8 | 173.4 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | K231 Y236 Q237 D238 Q319 A320 | K231-T322 PolarHBondContact NZ-O 2.86Å; K231-T322 VanDerWaalsContact NZ-O 3.12Å; Y236-T322 CarbonylContact C-O 3.51Å; Y236-T322 VanDerWaalsContact CA-O 3.3Å; Y236-T322 WeakPolarHBondContact CA-O 3.16Å; Q237-T322 PolarHBondContact N-O 2.87Å; D238-T322 HydrophobicContact CB-CG2 4.41Å; Q319-T322 PolarHBondContact NE2-OG1 3.25Å; Q319-T322 PolarHBondContact O-N 3.41Å; Q319-T322 PolarHBondContact O-OG1 3.25Å; A320-T322 VanDerWaalsContact C-N 3.3Å; A320-T322 PolarHBondContact O-N 3.17Å |
| 323 | S | 93.7 | Very high | 95.5 | Very high | 59 Ų | 59 | 19.2 Ų | 19.2 | 41% | 0.413 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -96.6 | 10 | -175.7 | -52.6 | 0 | 0 | 0 | 0 | 114 | S233 A320 A321 | S233-S323 VanDerWaalsContact CB-O 3.28Å; S233-S323 WeakPolarHBondContact CB-O 3.32Å; A320-S323 PolarHBondContact O-N 3.3Å; A321-S323 PolarHBondContact O-N 2.94Å |
| 324 | I | 93.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 23.3 Ų | 23.3 | 17% | 0.174 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -116.6 | 160.8 | 171.5 | 70.1 | 175.4 | 0 | 0 | 0 | 109.7 | G108 K231 A321 | G108-I324 CarbonylContact O-C 3.57Å; G108-I324 WeakPolarHBondContact O-CA 3.24Å; G108-I324 WeakPolarHBondContact O-CB 3.42Å; K231-I324 PolarHBondContact NZ-O 3.31Å; A321-I324 HydrophobicContact CB-CD1 4.28Å; A321-I324 HydrophobicContact CB-CG1 4.34Å; A321-I324 WeakPolarHBondContact O-CG1 3.36Å; A321-I324 PolarHBondContact O-N 3.06Å |
| 325 | A | 93.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 151.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G108 Q171 D172 K231 | G108-A325 PolarHBondContact O-N 2.67Å; Q171-A325 VanDerWaalsContact O-CB 3.3Å; Q171-A325 WeakPolarHBondContact O-CB 3.05Å; D172-A325 HydrophobicContact CB-CB 3.88Å; K231-A325 CarbonylContact O-C 3.57Å; K231-A325 WeakPolarHBondContact O-CA 3.47Å; K231-A325 WeakPolarHBondContact O-CB 3.47Å |
| 326 | S | 94.5 | Very high | 96 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.5 | -174.6 | -53 | 0 | 0 | 0 | 0 | 111.3 | S230 K231 T315 | S230-S326 WeakPolarHBondContact CA-O 3.18Å; K231-S326 WeakPolarHBondContact CE-OG 3.44Å; K231-S326 PolarHBondContact N-O 3.45Å; K231-S326 PolarHBondContact O-N 3.25Å; T315-S326 WeakPolarHBondContact CG2-OG 3.46Å; T315-S326 WeakPolarHBondContact OG1-CA 3.21Å; T315-S326 WeakPolarHBondContact OG1-CB 3.46Å; T315-S326 PolarHBondContact OG1-OG 3.43Å |
| 327 | G | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F126 Q171 I314 | F126-G327 WeakPolarHBondContact CZ-O 3.12Å; Q171-G327 VanDerWaalsContact OE1-CA 3.25Å; I314-G327 WeakPolarHBondContact CG1-O 3.41Å; I314-G327 PolarHBondContact N-O 2.9Å |
| 328 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 130.1 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | I229 V239 M244 C311 V312 | I229-V328 HydrophobicContact CB-CB 4.17Å; I229-V328 PolarHBondContact N-O 3.47Å; I229-V328 PolarHBondContact O-N 2.95Å; V239-V328 HydrophobicContact CG1-CG2 4.42Å; V239-V328 HydrophobicContact CG2-CG2 4.28Å; M244-V328 HydrophobicContact CE-CG1 3.83Å; M244-V328 HydrophobicContact SD-CB 4.42Å; M244-V328 HydrophobicContact SD-CG1 4Å; M244-V328 HydrophobicContact SD-CG2 3.99Å; C311-V328 HydrophobicContact CB-CG1 3.65Å; V312-V328 WeakPolarHBondContact O-CA 3.4Å; V312-V328 WeakPolarHBondContact O-CG1 3.32Å |
| 329 | L | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117 | 170.8 | 172.3 | 67 | 0 | 0 | 0 | 108.2 | F124 F126 V152 I154 V226 Y227 I228 C311 V312 | F124-L329 HydrophobicContact CE1-CD1 4.43Å; F126-L329 HydrophobicContact CB-CB 4.26Å; F126-L329 HydrophobicContact CB-CD2 3.63Å; F126-L329 HydrophobicContact CD1-CB 3.96Å; F126-L329 HydrophobicContact CD2-CB 4.3Å; F126-L329 HydrophobicContact CE1-CB 4.35Å; F126-L329 HydrophobicContact CG-CB 3.91Å; F126-L329 HydrophobicContact CG-CD2 4.21Å; V152-L329 HydrophobicContact CB-CD2 3.69Å; V152-L329 HydrophobicContact CG1-CD2 3.62Å; V152-L329 HydrophobicContact CG2-CD2 4.3Å; I154-L329 HydrophobicContact CG1-CD2 4.35Å; V226-L329 HydrophobicContact CG1-CD1 3.33Å; Y227-L329 WeakPolarHBondContact O-CA 3.4Å; I228-L329 HydrophobicContact CD1-CD1 3.42Å; I228-L329 VanDerWaalsContact CD1-CD1 3.42Å; C311-L329 CarbonylContact C-O 3.59Å; C311-L329 WeakPolarHBondContact CA-O 3.2Å; C311-L329 WeakPolarHBondContact CB-O 3.22Å; V312-L329 PolarHBondContact N-O 3.36Å; V312-L329 PolarHBondContact O-N 3.15Å |
| 330 | C | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.9 | 174.3 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | V226 Y227 V309 F310 C311 | V226-C330 CarbonylContact C-O 3.6Å; V226-C330 VanDerWaalsContact CA-O 3.28Å; V226-C330 WeakPolarHBondContact CA-O 3.46Å; Y227-C330 HydrophobicContact CD2-CB 4.34Å; Y227-C330 PolarHBondContact N-O 3.29Å; Y227-C330 PolarHBondContact O-N 3.03Å; V309-C330 HydrophobicContact CB-CB 4.46Å; F310-C330 CarbonylContact O-C 3.56Å; F310-C330 WeakPolarHBondContact O-CA 3.32Å; C311-C330 HydrophobicContact CB-CB 3.91Å; C311-C330 WeakPolarHBondContact CB-SG 2.95Å; C311-C330 VanDerWaalsContact SG-CA 3.6Å; C311-C330 WeakPolarHBondContact SG-CB 3.41Å; C311-C330 CovalentContact SG-SG 2.03Å; C311-C330 PolarHBondContact SG-SG 3.23Å |
| 331 | M | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.8 | 171.7 | -53.3 | -165.4 | -62.6 | 0 | 0 | 109.1 | W36 I38 V152 I154 T224 V226 V309 F310 H333 V336 | W36-M331 HydrophobicContact CD2-SD 4.43Å; W36-M331 HydrophobicContact CE3-CE 4.22Å; W36-M331 HydrophobicContact CE3-SD 4.47Å; W36-M331 HydrophobicContact CZ3-CE 4.41Å; I38-M331 HydrophobicContact CD1-CE 3.28Å; I38-M331 HydrophobicContact CG1-CE 3.6Å; V152-M331 HydrophobicContact CG1-SD 4.19Å; I154-M331 HydrophobicContact CD1-SD 3.79Å; T224-M331 HydrophobicContact CG2-CB 4.24Å; V226-M331 HydrophobicContact CG2-CG 4.12Å; V309-M331 CarbonylContact C-O 3.55Å; V309-M331 WeakPolarHBondContact CA-O 3.42Å; F310-M331 HydrophobicContact CD1-CE 4.21Å; F310-M331 PolarHBondContact N-O 3.29Å; F310-M331 PolarHBondContact O-N 3.21Å; M331-H333 PolarHBondContact O-N 3.06Å; M331-H333 VanDerWaalsContact O-N 3.12Å; M331-V336 HydrophobicContact CE-CG1 4.4Å |
| 332 | E | 97.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 24.7 Ų | 24.7 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 89.6 | 174 | -167.3 | 174.8 | 136.4 | 0 | 0 | 108.7 | K215 P225 Y227 V309 | K215-E332 IonicContact NZ-OE2 2.7Å; P225-E332 HydrophobicContact CB-CB 3.89Å; P225-E332 HydrophobicContact CG-CB 4.09Å; P225-E332 HydrophobicContact CG-CG 4.5Å; P225-E332 PolarHBondContact O-N 3.01Å; Y227-E332 HydrophobicContact CE2-CB 4.19Å; Y227-E332 WeakPolarHBondContact CE2-OE2 3.44Å; Y227-E332 PolarHBondContact OH-OE2 3.07Å; V309-E332 HydrophobicContact CG1-CB 4.22Å; V309-E332 HydrophobicContact CG1-CG 4.45Å |
| 333 | H | 96.4 | Very high | 97 | Very high | 23 Ų | 23 | 25 Ų | 25 | 11% | 0.106 | 13% | 0.133 | C | C | . | . | trans | -150.7 | 98.9 | -175.2 | -161.9 | -53.3 | 0 | 0 | 0 | 110.7 | W36 P57 T224 A308 M331 K335 V336 Q337 | W36-H333 AromaticContact CZ2-CD2 3.63Å; W36-H333 AromaticContact CZ2-NE2 3.9Å; P57-H333 WeakPolarHBondContact CG-CE1 3.33Å; P57-H333 WeakPolarHBondContact CG-NE2 3.25Å; T224-H333 HydrophobicContact CG2-CB 4.44Å; A308-H333 PolarHBondContact O-N 2.77Å; M331-H333 PolarHBondContact O-N 3.06Å; M331-H333 VanDerWaalsContact O-N 3.12Å; H333-K335 VanDerWaalsContact C-N 3.3Å; H333-K335 PolarHBondContact ND1-N 3.45Å; H333-K335 PolarHBondContact O-N 3.36Å; H333-K335 VanDerWaalsContact O-N 3.16Å; H333-V336 HydrophobicContact CB-CB 4.17Å; H333-V336 HydrophobicContact CB-CG2 4.09Å; H333-V336 PolarHBondContact O-N 3.01Å; H333-Q337 WeakPolarHBondContact O-CB 3.31Å; H333-Q337 PolarHBondContact O-N 3.29Å | ||
| 334 | Q | 96.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 22.1 Ų | 22.1 | 40% | 0.397 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -52.9 | -42.5 | -174.2 | -173.5 | -178.4 | -40.9 | 0 | 0 | 113.4 | P304 S305 Q337 T338 | P304-Q334 HydrophobicContact CB-CG 4.09Å; S305-Q334 VanDerWaalsContact C-OE1 3.27Å; S305-Q334 PolarHBondContact O-OE1 3.4Å; Q334-Q337 PolarHBondContact O-N 3.25Å; Q334-Q337 PolarHBondContact O-OE1 2.87Å; Q334-T338 WeakPolarHBondContact O-CB 3.24Å; Q334-T338 PolarHBondContact O-N 2.62Å; Q334-T338 PolarHBondContact O-OG1 2.84Å |
| 335 | K | 96.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 24.7 Ų | 24.7 | 42% | 0.417 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 179.7 | -62.9 | -69.9 | -174.3 | 134.9 | 0 | 112.8 | D56 P57 H333 Q337 T338 L339 | D56-K335 WeakPolarHBondContact OD1-CD 3.47Å; D56-K335 VanDerWaalsContact OD1-CE 3.24Å; D56-K335 WeakPolarHBondContact OD1-CE 3.34Å; D56-K335 IonicContact OD1-NZ 3.15Å; D56-K335 PolarHBondContact OD1-NZ 2.81Å; P57-K335 HydrophobicContact CG-CB 4.09Å; H333-K335 VanDerWaalsContact C-N 3.3Å; H333-K335 PolarHBondContact ND1-N 3.45Å; H333-K335 PolarHBondContact O-N 3.36Å; H333-K335 VanDerWaalsContact O-N 3.16Å; K335-Q337 VanDerWaalsContact C-N 3.34Å; K335-Q337 PolarHBondContact O-N 3.23Å; K335-T338 WeakPolarHBondContact O-CB 3.5Å; K335-T338 PolarHBondContact O-N 3.05Å; K335-T338 VanDerWaalsContact O-N 3.13Å; K335-L339 WeakPolarHBondContact O-CG 3.45Å; K335-L339 PolarHBondContact O-N 2.95Å |
| 336 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | W36 I38 I51 P57 F310 M331 H333 T338 L339 F340 | W36-V336 HydrophobicContact CH2-CG2 3.73Å; W36-V336 HydrophobicContact CZ3-CG2 4.22Å; I38-V336 HydrophobicContact CD1-CG1 3.42Å; I38-V336 VanDerWaalsContact CD1-CG1 3.42Å; I38-V336 HydrophobicContact CD1-CG2 4.42Å; I51-V336 HydrophobicContact CG2-CG2 4.29Å; P57-V336 HydrophobicContact CG-CG2 4.21Å; F310-V336 HydrophobicContact CB-CB 4.42Å; F310-V336 HydrophobicContact CB-CG1 3.7Å; F310-V336 HydrophobicContact CD1-CG1 3.67Å; F310-V336 HydrophobicContact CE1-CG1 4.49Å; F310-V336 HydrophobicContact CG-CG1 3.77Å; M331-V336 HydrophobicContact CE-CG1 4.4Å; H333-V336 HydrophobicContact CB-CB 4.17Å; H333-V336 HydrophobicContact CB-CG2 4.09Å; H333-V336 PolarHBondContact O-N 3.01Å; V336-T338 VanDerWaalsContact C-N 3.26Å; V336-T338 PolarHBondContact O-N 3.36Å; V336-L339 WeakPolarHBondContact O-CB 3.1Å; V336-L339 PolarHBondContact O-N 3.05Å; V336-L339 VanDerWaalsContact O-N 3.16Å; V336-F340 HydrophobicContact CG1-CD2 4.17Å; V336-F340 HydrophobicContact CG1-CE2 4.18Å; V336-F340 WeakPolarHBondContact O-CD2 3.46Å; V336-F340 PolarHBondContact O-N 3.06Å |
| 337 | Q | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.9 | -44.1 | 175.3 | 173.7 | -83.9 | -38.7 | 0 | 0 | 111.5 | A300 S301 A308 V309 H333 Q334 K335 L339 F340 S341 | A300-Q337 HydrophobicContact CB-CG 4.34Å; S301-Q337 PolarHBondContact O-NE2 2.84Å; A308-Q337 HydrophobicContact CB-CB 4.26Å; A308-Q337 HydrophobicContact CB-CG 3.8Å; V309-Q337 WeakPolarHBondContact O-CG 3.37Å; H333-Q337 WeakPolarHBondContact O-CB 3.31Å; H333-Q337 PolarHBondContact O-N 3.29Å; Q334-Q337 PolarHBondContact O-N 3.25Å; Q334-Q337 PolarHBondContact O-OE1 2.87Å; K335-Q337 VanDerWaalsContact C-N 3.34Å; K335-Q337 PolarHBondContact O-N 3.23Å; Q337-L339 PolarHBondContact O-N 3.07Å; Q337-F340 PolarHBondContact O-N 2.83Å; Q337-S341 VanDerWaalsContact NE2-CB 3.3Å; Q337-S341 PolarHBondContact NE2-OG 3.13Å; Q337-S341 VanDerWaalsContact NE2-OG 3.1Å; Q337-S341 WeakPolarHBondContact O-CB 3.27Å; Q337-S341 PolarHBondContact O-N 2.98Å; Q337-S341 PolarHBondContact O-OG 3.15Å |
| 338 | T | 98.5 | Very high | 97.9 | Very high | 48 Ų | 48 | 33 Ų | 33 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Q334 K335 V336 F340 S341 T342 | Q334-T338 WeakPolarHBondContact O-CB 3.24Å; Q334-T338 PolarHBondContact O-N 2.62Å; Q334-T338 PolarHBondContact O-OG1 2.84Å; K335-T338 WeakPolarHBondContact O-CB 3.5Å; K335-T338 PolarHBondContact O-N 3.05Å; K335-T338 VanDerWaalsContact O-N 3.13Å; V336-T338 VanDerWaalsContact C-N 3.26Å; V336-T338 PolarHBondContact O-N 3.36Å; T338-F340 VanDerWaalsContact C-N 3.35Å; T338-F340 PolarHBondContact O-N 2.82Å; T338-S341 WeakPolarHBondContact CA-OG 3.15Å; T338-S341 PolarHBondContact O-OG 3.2Å; T338-T342 VanDerWaalsContact O-CB 3.23Å; T338-T342 WeakPolarHBondContact O-CB 3.44Å; T338-T342 PolarHBondContact O-N 2.65Å; T338-T342 PolarHBondContact O-OG1 3.38Å |
| 339 | L | 98.4 | Very high | 97.8 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 176.3 | -66 | 172.9 | 0 | 0 | 0 | 110.9 | I51 K335 V336 Q337 I343 | I51-L339 HydrophobicContact CD1-CD1 3.66Å; I51-L339 HydrophobicContact CG1-CD1 4.17Å; K335-L339 WeakPolarHBondContact O-CG 3.45Å; K335-L339 PolarHBondContact O-N 2.95Å; V336-L339 WeakPolarHBondContact O-CB 3.1Å; V336-L339 PolarHBondContact O-N 3.05Å; V336-L339 VanDerWaalsContact O-N 3.16Å; Q337-L339 PolarHBondContact O-N 3.07Å; L339-I343 WeakPolarHBondContact O-CG1 3.19Å; L339-I343 PolarHBondContact O-N 3.34Å |
| 340 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -78 | -35.7 | -177.6 | -76 | -89.5 | 0 | 0 | 0 | 113.6 | I51 W59 L150 W298 A300 F310 V336 Q337 T338 T342 I343 A344 | I51-F340 HydrophobicContact CD1-CE2 3.85Å; I51-F340 HydrophobicContact CD1-CZ 4.49Å; W59-F340 HydrophobicContact CH2-CE1 4.42Å; W59-F340 HydrophobicContact CH2-CE2 4.27Å; W59-F340 AromaticContact CH2-CZ 3.82Å; W59-F340 HydrophobicContact CH2-CZ 3.82Å; W59-F340 HydrophobicContact CZ2-CE2 4.36Å; W59-F340 HydrophobicContact CZ2-CZ 4.2Å; L150-F340 HydrophobicContact CD2-CZ 4.35Å; W298-F340 AromaticContact CD2-CD1 3.9Å; W298-F340 HydrophobicContact CD2-CD1 3.9Å; W298-F340 HydrophobicContact CE3-CB 4.19Å; W298-F340 HydrophobicContact CE3-CD1 4.1Å; W298-F340 HydrophobicContact CG-CD1 4.33Å; W298-F340 WeakPolarHBondContact CH2-O 3.12Å; W298-F340 HydrophobicContact CZ2-CD1 4.36Å; W298-F340 HydrophobicContact CZ3-CB 4.07Å; W298-F340 HydrophobicContact CZ3-CD1 4.43Å; A300-F340 HydrophobicContact CB-CB 4.08Å; F310-F340 HydrophobicContact CD1-CD2 4.41Å; F310-F340 HydrophobicContact CD1-CE2 4.31Å; F310-F340 HydrophobicContact CD2-CB 3.76Å; F310-F340 HydrophobicContact CD2-CD1 4.04Å; F310-F340 AromaticContact CD2-CD2 3.4Å; F310-F340 HydrophobicContact CD2-CD2 3.4Å; F310-F340 VanDerWaalsContact CD2-CD2 3.4Å; F310-F340 HydrophobicContact CD2-CE1 4.49Å; F310-F340 AromaticContact CD2-CE2 3.94Å; F310-F340 HydrophobicContact CD2-CE2 3.94Å; F310-F340 AromaticContact CD2-CG 3.46Å; F310-F340 HydrophobicContact CD2-CG 3.46Å; F310-F340 VanDerWaalsContact CD2-CG 3.46Å; F310-F340 HydrophobicContact CD2-CZ 4.45Å; F310-F340 HydrophobicContact CE1-CD2 4.39Å; F310-F340 AromaticContact CE1-CE2 3.95Å; F310-F340 HydrophobicContact CE1-CE2 3.95Å; F310-F340 HydrophobicContact CE1-CZ 4.17Å; F310-F340 HydrophobicContact CE2-CB 3.98Å; F310-F340 AromaticContact CE2-CD1 3.36Å; F310-F340 HydrophobicContact CE2-CD1 3.36Å; F310-F340 AromaticContact CE2-CD2 3.38Å; F310-F340 HydrophobicContact CE2-CD2 3.38Å; F310-F340 AromaticContact CE2-CE1 3.52Å; F310-F340 HydrophobicContact CE2-CE1 3.52Å; F310-F340 AromaticContact CE2-CE2 3.55Å; F310-F340 HydrophobicContact CE2-CE2 3.55Å; F310-F340 AromaticContact CE2-CG 3.27Å; F310-F340 HydrophobicContact CE2-CG 3.27Å; F310-F340 AromaticContact CE2-CZ 3.62Å; F310-F340 HydrophobicContact CE2-CZ 3.62Å; F310-F340 AromaticContact CG-CD2 3.94Å; F310-F340 HydrophobicContact CG-CD2 3.94Å; F310-F340 HydrophobicContact CG-CE2 4.29Å; F310-F340 HydrophobicContact CG-CG 4.41Å; F310-F340 HydrophobicContact CZ-CD1 4.04Å; F310-F340 AromaticContact CZ-CD2 3.89Å; F310-F340 HydrophobicContact CZ-CD2 3.89Å; F310-F340 AromaticContact CZ-CE1 3.69Å; F310-F340 HydrophobicContact CZ-CE1 3.69Å; F310-F340 AromaticContact CZ-CE2 3.54Å; F310-F340 HydrophobicContact CZ-CE2 3.54Å; F310-F340 HydrophobicContact CZ-CG 4.12Å; F310-F340 AromaticContact CZ-CZ 3.43Å; F310-F340 HydrophobicContact CZ-CZ 3.43Å; F310-F340 VanDerWaalsContact CZ-CZ 3.43Å; V336-F340 HydrophobicContact CG1-CD2 4.17Å; V336-F340 HydrophobicContact CG1-CE2 4.18Å; V336-F340 WeakPolarHBondContact O-CD2 3.46Å; V336-F340 PolarHBondContact O-N 3.06Å; Q337-F340 PolarHBondContact O-N 2.83Å; T338-F340 VanDerWaalsContact C-N 3.35Å; T338-F340 PolarHBondContact O-N 2.82Å; F340-T342 VanDerWaalsContact C-N 3.29Å; F340-T342 PolarHBondContact O-N 3.39Å; F340-I343 HydrophobicContact CD1-CD1 4.38Å; F340-I343 WeakPolarHBondContact O-CB 3.29Å; F340-I343 PolarHBondContact O-N 2.9Å; F340-A344 PolarHBondContact O-N 2.89Å; F340-A344 VanDerWaalsContact O-N 3.07Å |
| 341 | S | 98.5 | Very high | 97.5 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -34.9 | 174.4 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | Q337 T338 I343 A344 I345 | Q337-S341 VanDerWaalsContact NE2-CB 3.3Å; Q337-S341 PolarHBondContact NE2-OG 3.13Å; Q337-S341 VanDerWaalsContact NE2-OG 3.1Å; Q337-S341 WeakPolarHBondContact O-CB 3.27Å; Q337-S341 PolarHBondContact O-N 2.98Å; Q337-S341 PolarHBondContact O-OG 3.15Å; T338-S341 WeakPolarHBondContact CA-OG 3.15Å; T338-S341 PolarHBondContact O-OG 3.2Å; S341-I343 VanDerWaalsContact C-N 3.34Å; S341-A344 PolarHBondContact O-N 3.26Å; S341-I345 WeakPolarHBondContact O-CB 3.19Å; S341-I345 VanDerWaalsContact O-CG1 3.26Å; S341-I345 WeakPolarHBondContact O-CG1 3.31Å; S341-I345 PolarHBondContact O-N 2.9Å |
| 342 | T | 98.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 43.4 Ų | 43.4 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | T338 F340 T346 | T338-T342 VanDerWaalsContact O-CB 3.23Å; T338-T342 WeakPolarHBondContact O-CB 3.44Å; T338-T342 PolarHBondContact O-N 2.65Å; T338-T342 PolarHBondContact O-OG1 3.38Å; F340-T342 VanDerWaalsContact C-N 3.29Å; F340-T342 PolarHBondContact O-N 3.39Å; T342-T346 WeakPolarHBondContact O-CB 3.36Å; T342-T346 PolarHBondContact O-N 2.71Å; T342-T346 PolarHBondContact O-OG1 2.83Å |
| 343 | I | 98.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 173.2 | -66.8 | 167.3 | 0 | 0 | 0 | 110.2 | W59 I282 V284 W298 L339 F340 S341 A347 | W59-I343 HydrophobicContact CZ2-CD1 4.05Å; I282-I343 HydrophobicContact CB-CG2 3.79Å; I282-I343 HydrophobicContact CD1-CG2 4.16Å; I282-I343 HydrophobicContact CG1-CG2 4.49Å; I282-I343 HydrophobicContact CG2-CG2 4.11Å; V284-I343 HydrophobicContact CB-CD1 4.44Å; V284-I343 HydrophobicContact CG1-CD1 4.19Å; V284-I343 HydrophobicContact CG2-CD1 4.3Å; W298-I343 HydrophobicContact CH2-CB 4.49Å; W298-I343 HydrophobicContact CH2-CG2 4.31Å; W298-I343 HydrophobicContact CZ2-CG2 4.15Å; L339-I343 WeakPolarHBondContact O-CG1 3.19Å; L339-I343 PolarHBondContact O-N 3.34Å; F340-I343 HydrophobicContact CD1-CD1 4.38Å; F340-I343 WeakPolarHBondContact O-CB 3.29Å; F340-I343 PolarHBondContact O-N 2.9Å; S341-I343 VanDerWaalsContact C-N 3.34Å; I343-A347 VanDerWaalsContact O-CB 3.31Å; I343-A347 WeakPolarHBondContact O-CB 3.18Å; I343-A347 PolarHBondContact O-N 2.76Å; I343-A347 VanDerWaalsContact O-N 3.1Å |
| 344 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -52.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L253 V277 W298 F340 S341 A347 G348 I349 | L253-A344 HydrophobicContact CB-CB 4.12Å; L253-A344 HydrophobicContact CD1-CB 3.76Å; V277-A344 HydrophobicContact CG2-CB 3.47Å; V277-A344 VanDerWaalsContact CG2-CB 3.47Å; W298-A344 HydrophobicContact CH2-CB 3.94Å; W298-A344 HydrophobicContact CZ3-CB 4.23Å; F340-A344 PolarHBondContact O-N 2.89Å; F340-A344 VanDerWaalsContact O-N 3.07Å; S341-A344 PolarHBondContact O-N 3.26Å; A344-A347 PolarHBondContact O-N 2.9Å; A344-G348 CarbonylContact O-C 3.6Å; A344-G348 PolarHBondContact O-N 2.79Å; A344-I349 HydrophobicContact CB-CG2 4.4Å |
| 345 | I | 97.8 | Very high | 96.5 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | -176 | -67.6 | 165.5 | 0 | 0 | 0 | 110.8 | L253 S341 A347 G348 | L253-I345 HydrophobicContact CD1-CD1 4.17Å; L253-I345 HydrophobicContact CD1-CG1 3.81Å; S341-I345 WeakPolarHBondContact O-CB 3.19Å; S341-I345 VanDerWaalsContact O-CG1 3.26Å; S341-I345 WeakPolarHBondContact O-CG1 3.31Å; S341-I345 PolarHBondContact O-N 2.9Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 2.86Å; I345-G348 PolarHBondContact O-N 3Å; I345-G348 VanDerWaalsContact O-N 3.17Å |
| 346 | T | 97.4 | Very high | 96.5 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | 179.2 | -58 | 0 | 0 | 0 | 0 | 111.9 | T342 | T342-T346 WeakPolarHBondContact O-CB 3.36Å; T342-T346 PolarHBondContact O-N 2.71Å; T342-T346 PolarHBondContact O-OG1 2.83Å |
| 347 | A | 97.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 30% | 0.298 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | V277 P279 I282 I343 A344 I345 | V277-A347 HydrophobicContact CG1-CB 4.25Å; P279-A347 HydrophobicContact CG-CB 4.03Å; P279-A347 WeakPolarHBondContact CG-O 3.31Å; I282-A347 HydrophobicContact CG2-CB 3.91Å; I343-A347 VanDerWaalsContact O-CB 3.31Å; I343-A347 WeakPolarHBondContact O-CB 3.18Å; I343-A347 PolarHBondContact O-N 2.76Å; I343-A347 VanDerWaalsContact O-N 3.1Å; A344-A347 PolarHBondContact O-N 2.9Å; I345-A347 VanDerWaalsContact C-N 3.33Å; I345-A347 PolarHBondContact O-N 2.86Å |
| 348 | G | 97.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 31% | 0.314 | C | S | . | . | trans | 118.3 | 144.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K278 P279 A344 I345 | K278-G348 PolarHBondContact N-O 2.94Å; P279-G348 WeakPolarHBondContact CD-O 3.49Å; A344-G348 CarbonylContact O-C 3.6Å; A344-G348 PolarHBondContact O-N 2.79Å; I345-G348 PolarHBondContact O-N 3Å; I345-G348 VanDerWaalsContact O-N 3.17Å | ||
| 349 | I | 97.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 153.4 | -175.4 | 54.9 | 167 | 0 | 0 | 0 | 110.9 | L253 N276 A344 E351 | L253-I349 HydrophobicContact CD2-CD1 3.95Å; L253-I349 HydrophobicContact CD2-CG2 4.06Å; N276-I349 CarbonylContact O-C 3.47Å; N276-I349 WeakPolarHBondContact O-CA 3.47Å; A344-I349 HydrophobicContact CB-CG2 4.4Å; I349-E351 HydrophobicContact CD1-CG 3.68Å; I349-E351 HydrophobicContact CG1-CG 3.59Å; I349-E351 PolarHBondContact O-N 3.01Å |
| 350 | D | 96.2 | Very high | 96 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -87.2 | 83.6 | 173 | -171.4 | 35 | 0 | 0 | 0 | 108.5 | S266 N276 K278 | S266-D350 WeakPolarHBondContact CB-O 3.22Å; S266-D350 PolarHBondContact OG-O 2.89Å; N276-D350 PolarHBondContact O-N 3Å; K278-D350 HydrophobicContact CB-CB 4.29Å | ||
| 351 | E | 93.9 | Very high | 95.7 | Very high | 121 Ų | 121 | 64.8 Ų | 64.8 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | trans | -67.6 | 141.2 | -169.9 | -63.2 | -167.7 | 150.1 | 0 | 0 | 113.4 | E275 I349 K353 | E275-E351 VanDerWaalsContact OE1-CA 3.28Å; E275-E351 WeakPolarHBondContact OE1-CA 3.47Å; I349-E351 HydrophobicContact CD1-CG 3.68Å; I349-E351 HydrophobicContact CG1-CG 3.59Å; I349-E351 PolarHBondContact O-N 3.01Å; E351-K353 PolarHBondContact O-N 3.3Å | ||
| 352 | C | 92.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | trans | -76.6 | 105.1 | 169.4 | -73.7 | 0 | 0 | 0 | 0 | 110.2 | Y267 C268 K273 E275 | Y267-C352 PolarHBondContact O-SG 2.58Å; C268-C352 WeakPolarHBondContact CA-SG 3.31Å; C268-C352 HydrophobicContact CB-CB 3.54Å; C268-C352 WeakPolarHBondContact CB-SG 3.15Å; C268-C352 WeakPolarHBondContact SG-CA 3.39Å; C268-C352 WeakPolarHBondContact SG-CB 3.3Å; C268-C352 CovalentContact SG-SG 2.03Å; C268-C352 PolarHBondContact SG-SG 3.18Å; K273-C352 HydrophobicContact CD-CB 3.68Å; K273-C352 HydrophobicContact CG-CB 4.27Å; K273-C352 PolarHBondContact NZ-O 3.09Å; K273-C352 VanDerWaalsContact NZ-O 3.09Å; E275-C352 HydrophobicContact CG-CB 4.38Å; E275-C352 PolarHBondContact OE1-N 2.99Å | ||
| 353 | K | 80.8 | Confident | 95.3 | Very high | 267 Ų | 267 | 69.7 Ų | 69.7 | 100% | 1.161 | 37% | 0.368 | S | S | * | . | trans | -64.3 | 0 | 176.9 | -65.6 | -175.2 | 178.8 | -178.4 | 0 | 113.3 | E351 | E351-K353 PolarHBondContact O-N 3.3Š|
Retrieved 353 of 353 residues in 171.9 ms
(Link to these results)