| 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 | 40.7 | Very low | 30.4 | Very low | 254 Ų | 254 | 164.1 Ų | 164.1 | 100% | 1.251 | 90% | 0.903 | S | S | * | * | 0 | 104.9 | 0 | -70.2 | -179.9 | -151.7 | 0 | 0 | 107.8 | |||||
| 2 | A | 29 | Very low | 30.2 | Very low | 97 Ų | 97 | 168.1 Ų | 168.1 | 80% | 0.802 | 91% | 0.905 | S | S | * | * | trans | -111.6 | 144.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | P | 32.9 | Very low | 30 | Very low | 124 Ų | 124 | 162.5 Ų | 162.5 | 81% | 0.805 | 90% | 0.896 | S | S | * | * | trans | -86.2 | 146.1 | -156.1 | 33.8 | -34.9 | 0 | 0 | 0 | 113.5 | R5 | P3-R5 PolarHBondContact O-N 3.5Š| ||
| 4 | K | 33 | Very low | 29.7 | Very low | 219 Ų | 219 | 156.1 Ų | 156.1 | 95% | 0.952 | 89% | 0.885 | S | S | * | * | trans | -60.6 | 127 | 172 | -72.1 | 177.8 | 174.8 | 177.3 | 0 | 110.8 | ||||
| 5 | R | 31.1 | Very low | 29.5 | Very low | 251 Ų | 251 | 151 Ų | 151 | 95% | 0.947 | 88% | 0.881 | S | S | * | * | trans | -115.8 | 134.3 | 165.9 | -118.7 | 179.3 | 178.9 | -177.4 | -0.4 | 110.8 | P3 | P3-R5 PolarHBondContact O-N 3.5Š| ||
| 6 | K | 29.1 | Very low | 29.2 | Very low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.896 | 88% | 0.883 | S | S | * | * | trans | -60.7 | 148.7 | -175.5 | -73.7 | 175 | 172.4 | 177.9 | 0 | 112.9 | ||||
| 7 | A | 30.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 157.5 Ų | 157.5 | 90% | 0.901 | 88% | 0.883 | S | S | * | * | trans | -62.1 | 137.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | A | 26.9 | Very low | 28.9 | Very low | 100 Ų | 100 | 153.4 Ų | 153.4 | 83% | 0.826 | 87% | 0.873 | S | S | * | * | trans | -126.6 | 143.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 9 | K | 28.1 | Very low | 28.7 | Very low | 210 Ų | 210 | 156 Ų | 156 | 91% | 0.913 | 87% | 0.873 | S | S | * | * | trans | -45.3 | 130.2 | -171.4 | -71.2 | 170.6 | 172.1 | 177.2 | 0 | 114.6 | ||||
| 10 | A | 26.9 | Very low | 28.7 | Very low | 99 Ų | 99 | 155.7 Ų | 155.7 | 82% | 0.818 | 87% | 0.869 | S | S | * | * | trans | -97.8 | 117.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | K12 | A10-K12 PolarHBondContact O-N 2.6Š| ||
| 11 | V | 27.1 | Very low | 28.8 | Very low | 136 Ų | 136 | 156.4 Ų | 156.4 | 82% | 0.824 | 87% | 0.866 | S | S | * | * | trans | -67 | 118.3 | 168.6 | 174.5 | 0 | 0 | 0 | 0 | 108 | A13 | V11-A13 PolarHBondContact O-N 3.41Š| ||
| 12 | K | 27.4 | Very low | 28.6 | Very low | 212 Ų | 212 | 150.4 Ų | 150.4 | 92% | 0.922 | 85% | 0.846 | S | S | * | * | trans | -85.2 | 101.2 | 167.3 | -91.2 | -173.3 | 175.5 | -179.5 | 0 | 108.9 | A10 | A10-K12 PolarHBondContact O-N 2.6Š| ||
| 13 | A | 27.8 | Very low | 29.5 | Very low | 95 Ų | 95 | 152 Ų | 152 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -76.8 | 148.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V11 | V11-A13 PolarHBondContact O-N 3.41Š| ||
| 14 | G | 25.7 | Very low | 30.8 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 103.3 | 69.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K16 | G14-K16 PolarHBondContact O-N 3.04Š| ||
| 15 | G | 26.1 | Very low | 32 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -61.9 | 111.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109 | K17 | G15-K17 PolarHBondContact O-N 2.98Å; G15-K17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | K | 25.7 | Very low | 33.3 | Very low | 209 Ų | 209 | 126.1 Ų | 126.1 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -59 | 111.5 | 162.4 | -83.8 | 179.7 | 173.1 | 179.8 | 0 | 106.8 | G14 A18 | G14-K16 PolarHBondContact O-N 3.04Å; K16-A18 PolarHBondContact O-N 3.11Å | ||
| 17 | K | 26.5 | Very low | 34.9 | Very low | 203 Ų | 203 | 117.9 Ų | 117.9 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -55 | 111.5 | 157.5 | -80 | -175.9 | 174.5 | -176.7 | 0 | 106.1 | G15 K19 | G15-K17 PolarHBondContact O-N 2.98Å; G15-K17 VanDerWaalsContact O-N 3.1Å; K17-K19 PolarHBondContact O-N 3.05Å | ||
| 18 | A | 26 | Very low | 36.7 | Very low | 84 Ų | 84 | 115.2 Ų | 115.2 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | trans | -55.7 | 120.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | K16 D20 | K16-A18 PolarHBondContact O-N 3.11Å; A18-D20 PolarHBondContact O-N 2.82Å; A18-D20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | K | 24.6 | Very low | 38.6 | Very low | 203 Ų | 203 | 111.3 Ų | 111.3 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | trans | -63.2 | 106.7 | 162.3 | -103.5 | 179.6 | 167.8 | -178.2 | 0 | 104.6 | K17 E21 | K17-K19 PolarHBondContact O-N 3.05Å; K19-E21 PolarHBondContact O-N 2.94Å; K19-E21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | D | 30 | Very low | 40.7 | Very low | 149 Ų | 149 | 102.7 Ų | 102.7 | 80% | 0.797 | 59% | 0.591 | S | S | * | * | trans | -56.9 | 116.6 | 162.3 | -81 | -38.8 | 0 | 0 | 0 | 106.5 | A18 | A18-D20 PolarHBondContact O-N 2.82Å; A18-D20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | E | 30.2 | Very low | 42.8 | Very low | 171 Ų | 171 | 101.6 Ų | 101.6 | 80% | 0.799 | 57% | 0.569 | S | S | * | * | trans | -60 | 139.9 | 163.7 | -72.6 | -173.5 | 151.5 | 0 | 0 | 107.6 | K19 K23 | K19-E21 PolarHBondContact O-N 2.94Å; K19-E21 VanDerWaalsContact O-N 3.14Å; E21-K23 PolarHBondContact O-N 2.97Å | ||
| 22 | P | 36.9 | Very low | 44.6 | Very low | 129 Ų | 129 | 97.9 Ų | 97.9 | 84% | 0.838 | 55% | 0.552 | S | S | * | * | trans | -58.2 | 115.6 | 177 | 22.3 | -30.2 | 0 | 0 | 0 | 108.7 | ||||
| 23 | K | 46.5 | Very low | 46.5 | Very low | 131 Ų | 131 | 88.3 Ų | 88.3 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | trans | -63.8 | 143 | 176 | -67.8 | -165.7 | -178.1 | -166.2 | 0 | 109.7 | E21 E31 | E21-K23 PolarHBondContact O-N 2.97Å; K23-E31 WeakPolarHBondContact CD-OE2 3.32Å; K23-E31 IonicContact NZ-OE1 3.64Å; K23-E31 PolarHBondContact NZ-OE1 3.32Å; K23-E31 IonicContact NZ-OE2 2.8Å; K23-E31 PolarHBondContact NZ-OE2 2.99Å | ||
| 24 | D | 60.3 | Low | 48.3 | Very low | 37 Ų | 37 | 88 Ų | 88 | 20% | 0.198 | 50% | 0.496 | C | S | . | . | trans | -81.4 | 142.2 | -166.6 | 105.7 | 31.4 | 0 | 0 | 0 | 109.7 | F26 T27 S28 P395 H396 | D24-F26 VanDerWaalsContact C-N 3.28Å; D24-F26 PolarHBondContact O-N 3.1Å; D24-F26 PolarHBondContact OD1-N 3.17Å; D24-T27 CarbonylContact O-C 3.51Å; D24-T27 PolarHBondContact O-N 3.29Å; D24-T27 WeakPolarHBondContact OD1-CB 3.33Å; D24-T27 PolarHBondContact OD1-N 3.43Å; D24-T27 PolarHBondContact OD1-OG1 3.16Å; D24-T27 WeakPolarHBondContact OD2-CB 3.32Å; D24-T27 PolarHBondContact OD2-OG1 3.18Å; D24-S28 WeakPolarHBondContact O-CA 3.43Å; D24-S28 WeakPolarHBondContact O-CB 3.39Å; D24-S28 PolarHBondContact O-N 2.88Å; D24-P395 VanDerWaalsContact CA-CG 3.47Å; D24-P395 HydrophobicContact CB-CB 3.4Å; D24-P395 VanDerWaalsContact CB-CB 3.4Å; D24-P395 HydrophobicContact CB-CG 3.27Å; D24-P395 VanDerWaalsContact OD1-CD 3.32Å; D24-P395 WeakPolarHBondContact OD1-CD 3.43Å; D24-H396 IonicContact OD1-CD2 3.62Å; D24-H396 IonicContact OD1-NE2 2.82Å; D24-H396 IonicContact OD2-CD2 2.76Å; D24-H396 PolarHBondContact OD2-CD2 3.02Å; D24-H396 IonicContact OD2-NE2 3.9Å; D24-H396 PolarHBondContact OD2-NE2 3.47Å | ||
| 25 | A | 59.1 | Low | 49.7 | Very low | 12 Ų | 12 | 88.8 Ų | 88.8 | 10% | 0.099 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.8 | -22 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | T29 R392 I393 M394 | A25-T29 WeakPolarHBondContact O-CA 3.4Å; A25-T29 WeakPolarHBondContact O-CB 3.24Å; A25-T29 PolarHBondContact O-N 2.69Å; A25-T29 PolarHBondContact O-OG1 3.15Å; A25-R392 HydrophobicContact CB-CB 4.34Å; A25-I393 WeakPolarHBondContact CB-O 3.43Å; A25-M394 HydrophobicContact CB-CE 3.76Å; A25-M394 HydrophobicContact CB-SD 3.41Å; A25-M394 WeakPolarHBondContact CB-SD 3.38Å |
| 26 | F | 59.1 | Low | 51.1 | Low | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -79.5 | -44.1 | 176.1 | 167.5 | -65.9 | 0 | 0 | 0 | 109.6 | D24 S28 T29 K30 F221 E225 K273 M394 H396 | D24-F26 VanDerWaalsContact C-N 3.28Å; D24-F26 PolarHBondContact O-N 3.1Å; D24-F26 PolarHBondContact OD1-N 3.17Å; F26-S28 VanDerWaalsContact C-N 3.33Å; F26-T29 PolarHBondContact O-N 3.44Å; F26-K30 VanDerWaalsContact O-CB 3.28Å; F26-K30 WeakPolarHBondContact O-CB 3.47Å; F26-K30 PolarHBondContact O-N 3.43Å; F26-F221 HydrophobicContact CD1-CD1 4.37Å; F26-F221 AromaticContact CD2-CD1 3.54Å; F26-F221 HydrophobicContact CD2-CD1 3.54Å; F26-F221 AromaticContact CD2-CE1 3.47Å; F26-F221 HydrophobicContact CD2-CE1 3.47Å; F26-F221 VanDerWaalsContact CD2-CE1 3.47Å; F26-F221 HydrophobicContact CD2-CG 4.4Å; F26-F221 HydrophobicContact CD2-CZ 4.36Å; F26-F221 HydrophobicContact CE1-CB 3.72Å; F26-F221 AromaticContact CE1-CD1 3.87Å; F26-F221 HydrophobicContact CE1-CD1 3.87Å; F26-F221 AromaticContact CE1-CG 3.99Å; F26-F221 HydrophobicContact CE1-CG 3.99Å; F26-F221 HydrophobicContact CE2-CB 4.31Å; F26-F221 AromaticContact CE2-CD1 2.95Å; F26-F221 HydrophobicContact CE2-CD1 2.95Å; F26-F221 AromaticContact CE2-CE1 3.31Å; F26-F221 HydrophobicContact CE2-CE1 3.31Å; F26-F221 AromaticContact CE2-CG 3.9Å; F26-F221 HydrophobicContact CE2-CG 3.9Å; F26-F221 HydrophobicContact CE2-CZ 4.5Å; F26-F221 HydrophobicContact CG-CD1 4.24Å; F26-F221 HydrophobicContact CG-CE1 4.3Å; F26-F221 HydrophobicContact CZ-CB 3.57Å; F26-F221 AromaticContact CZ-CD1 3.15Å; F26-F221 HydrophobicContact CZ-CD1 3.15Å; F26-F221 AromaticContact CZ-CE1 3.98Å; F26-F221 HydrophobicContact CZ-CE1 3.98Å; F26-F221 AromaticContact CZ-CG 3.67Å; F26-F221 HydrophobicContact CZ-CG 3.67Å; F26-E225 HydrophobicContact CE1-CG 3.95Å; F26-E225 WeakPolarHBondContact CE1-OE1 3.49Å; F26-E225 HydrophobicContact CZ-CG 4.33Å; F26-K273 HydrophobicContact CE2-CB 4.2Å; F26-K273 HydrophobicContact CE2-CD 4.12Å; F26-K273 HydrophobicContact CE2-CG 3.85Å; F26-M394 VanDerWaalsContact CA-CE 3.5Å; F26-M394 HydrophobicContact CB-CE 3.65Å; F26-M394 VanDerWaalsContact N-CE 3.3Å; F26-H396 HydrophobicContact CB-CB 3.94Å; F26-H396 HydrophobicContact CD1-CB 4.01Å; F26-H396 AromaticContact CD1-CD2 3.1Å; F26-H396 WeakPolarHBondContact CD1-CD2 3.37Å; F26-H396 AromaticContact CD1-CG 3.74Å; F26-H396 AromaticContact CD1-NE2 3.91Å; F26-H396 HydrophobicContact CD2-CB 3.71Å; F26-H396 HydrophobicContact CE1-CB 4.38Å; F26-H396 AromaticContact CE1-CD2 3.78Å; F26-H396 HydrophobicContact CE2-CB 4.06Å; F26-H396 HydrophobicContact CG-CB 3.65Å; F26-H396 AromaticContact CG-CD2 3.45Å; F26-H396 VanDerWaalsContact CG-CD2 3.45Å; F26-H396 WeakPolarHBondContact CG-CD2 3.11Å; F26-H396 AromaticContact CG-CG 3.86Å; F26-H396 HydrophobicContact CZ-CB 4.39Å |
| 27 | T | 62 | Low | 52.1 | Low | 34 Ų | 34 | 79.2 Ų | 79.2 | 21% | 0.209 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 170.6 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | D24 K30 E31 H396 | D24-T27 CarbonylContact O-C 3.51Å; D24-T27 PolarHBondContact O-N 3.29Å; D24-T27 WeakPolarHBondContact OD1-CB 3.33Å; D24-T27 PolarHBondContact OD1-N 3.43Å; D24-T27 PolarHBondContact OD1-OG1 3.16Å; D24-T27 WeakPolarHBondContact OD2-CB 3.32Å; D24-T27 PolarHBondContact OD2-OG1 3.18Å; T27-K30 PolarHBondContact O-N 3.02Å; T27-E31 HydrophobicContact CG2-CG 4.31Å; T27-E31 VanDerWaalsContact O-CB 3.25Å; T27-E31 WeakPolarHBondContact O-CB 3.49Å; T27-E31 VanDerWaalsContact O-CG 3.23Å; T27-E31 WeakPolarHBondContact O-CG 3.43Å; T27-E31 PolarHBondContact O-N 3.39Å; T27-H396 PolarHBondContact OG1-NE2 3.08Å |
| 28 | S | 68.1 | Low | 53.1 | Low | 53 Ų | 53 | 73.3 Ų | 73.3 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.3 | -37.4 | 178 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | D24 F26 A32 | D24-S28 WeakPolarHBondContact O-CA 3.43Å; D24-S28 WeakPolarHBondContact O-CB 3.39Å; D24-S28 PolarHBondContact O-N 2.88Å; F26-S28 VanDerWaalsContact C-N 3.33Å; S28-A32 WeakPolarHBondContact O-CB 3.36Å; S28-A32 PolarHBondContact O-N 3.25Å |
| 29 | T | 65.6 | Low | 53.9 | Low | 17 Ų | 17 | 74.2 Ų | 74.2 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66 | -49.5 | 172.8 | -62 | 0 | 0 | 0 | 0 | 108.8 | A25 F26 E31 A32 L33 F221 M277 A280 | A25-T29 WeakPolarHBondContact O-CA 3.4Å; A25-T29 WeakPolarHBondContact O-CB 3.24Å; A25-T29 PolarHBondContact O-N 2.69Å; A25-T29 PolarHBondContact O-OG1 3.15Å; F26-T29 PolarHBondContact O-N 3.44Å; T29-E31 PolarHBondContact O-N 3.27Å; T29-A32 PolarHBondContact O-N 2.84Å; T29-L33 HydrophobicContact CG2-CD1 3.82Å; T29-L33 HydrophobicContact CG2-CG 4.19Å; T29-L33 VanDerWaalsContact O-CB 3.3Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 WeakPolarHBondContact O-CG 3.43Å; T29-L33 PolarHBondContact O-N 3.5Å; T29-F221 HydrophobicContact CG2-CE2 4.22Å; T29-M277 HydrophobicContact CG2-CE 4.36Å; T29-A280 HydrophobicContact CG2-CB 3.68Å |
| 30 | K | 73.7 | Confident | 54.6 | Low | 30 Ų | 30 | 70.8 Ų | 70.8 | 13% | 0.13 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -54.2 | -49.8 | 173.2 | 175.5 | -177.4 | 168.4 | -176.1 | 0 | 112.5 | F26 T27 L33 L34 A218 F221 E222 E225 | F26-K30 VanDerWaalsContact O-CB 3.28Å; F26-K30 WeakPolarHBondContact O-CB 3.47Å; F26-K30 PolarHBondContact O-N 3.43Å; T27-K30 PolarHBondContact O-N 3.02Å; K30-L33 PolarHBondContact O-N 3.4Å; K30-L34 HydrophobicContact CG-CD1 4.04Å; K30-L34 WeakPolarHBondContact O-CB 3.23Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.2Å; K30-L34 PolarHBondContact O-N 3.39Å; K30-A218 HydrophobicContact CG-CB 4.16Å; K30-F221 HydrophobicContact CB-CD2 4.17Å; K30-F221 HydrophobicContact CD-CB 4.31Å; K30-E222 HydrophobicContact CD-CG 4.34Å; K30-E222 VanDerWaalsContact CE-OE1 3.31Å; K30-E222 WeakPolarHBondContact CE-OE1 3.5Å; K30-E222 IonicContact NZ-OE1 2.79Å; K30-E225 IonicContact NZ-OE1 2.68Å; K30-E225 IonicContact NZ-OE2 2.87Å; K30-E225 PolarHBondContact NZ-OE2 2.99Å |
| 31 | E | 69.8 | Low | 55.5 | Low | 76 Ų | 76 | 68.8 Ų | 68.8 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 178 | -78 | -177.9 | 173.4 | 0 | 0 | 111.9 | K23 T27 T29 L33 L34 A35 | K23-E31 WeakPolarHBondContact CD-OE2 3.32Å; K23-E31 IonicContact NZ-OE1 3.64Å; K23-E31 PolarHBondContact NZ-OE1 3.32Å; K23-E31 IonicContact NZ-OE2 2.8Å; K23-E31 PolarHBondContact NZ-OE2 2.99Å; T27-E31 HydrophobicContact CG2-CG 4.31Å; T27-E31 VanDerWaalsContact O-CB 3.25Å; T27-E31 WeakPolarHBondContact O-CB 3.49Å; T27-E31 VanDerWaalsContact O-CG 3.23Å; T27-E31 WeakPolarHBondContact O-CG 3.43Å; T27-E31 PolarHBondContact O-N 3.39Å; T29-E31 PolarHBondContact O-N 3.27Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L34 PolarHBondContact O-N 2.81Å; E31-A35 WeakPolarHBondContact O-CB 3.46Å; E31-A35 PolarHBondContact O-N 2.92Å |
| 32 | A | 64.8 | Low | 56.5 | Low | 58 Ų | 58 | 64.7 Ų | 64.7 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S28 T29 A35 A36 | S28-A32 WeakPolarHBondContact O-CB 3.36Å; S28-A32 PolarHBondContact O-N 3.25Å; T29-A32 PolarHBondContact O-N 2.84Å; A32-A35 PolarHBondContact O-N 2.93Å; A32-A36 WeakPolarHBondContact O-CB 3.48Å; A32-A36 PolarHBondContact O-N 2.67Å |
| 33 | L | 67.2 | Low | 57.6 | Low | 11 Ų | 11 | 67.1 Ų | 67.1 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.9 | -70.4 | 172 | 0 | 0 | 0 | 111.3 | T29 K30 E31 K214 I217 A218 F221 A280 | T29-L33 HydrophobicContact CG2-CD1 3.82Å; T29-L33 HydrophobicContact CG2-CG 4.19Å; T29-L33 VanDerWaalsContact O-CB 3.3Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 WeakPolarHBondContact O-CG 3.43Å; T29-L33 PolarHBondContact O-N 3.5Å; K30-L33 PolarHBondContact O-N 3.4Å; E31-L33 VanDerWaalsContact C-N 3.35Å; L33-K214 HydrophobicContact CB-CB 3.82Å; L33-K214 HydrophobicContact CD2-CB 3.5Å; L33-K214 HydrophobicContact CD2-CD 4.02Å; L33-K214 HydrophobicContact CD2-CG 3.5Å; L33-K214 VanDerWaalsContact CD2-CG 3.5Å; L33-K214 HydrophobicContact CG-CB 4.22Å; L33-K214 WeakPolarHBondContact O-CB 3.28Å; L33-I217 HydrophobicContact CD1-CB 3.94Å; L33-I217 HydrophobicContact CD1-CG2 3.83Å; L33-A218 HydrophobicContact CB-CB 4.31Å; L33-F221 HydrophobicContact CD1-CE2 4.11Å; L33-A280 HydrophobicContact CD1-CB 4.49Å |
| 34 | L | 65.6 | Low | 59 | Low | 89 Ų | 89 | 63.3 Ų | 63.3 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 175.6 | -70.7 | 170.9 | 0 | 0 | 0 | 112.4 | K30 E31 A218 | K30-L34 HydrophobicContact CG-CD1 4.04Å; K30-L34 WeakPolarHBondContact O-CB 3.23Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.2Å; K30-L34 PolarHBondContact O-N 3.39Å; E31-L34 PolarHBondContact O-N 2.81Å; L34-A218 HydrophobicContact CD2-CB 3.89Å; L34-A218 HydrophobicContact CG-CB 3.91Å |
| 35 | A | 56.8 | Low | 60 | Low | 89 Ų | 89 | 66.1 Ų | 66.1 | 74% | 0.736 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -73.9 | -27.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E31 A32 G37 | E31-A35 WeakPolarHBondContact O-CB 3.46Å; E31-A35 PolarHBondContact O-N 2.92Å; A32-A35 PolarHBondContact O-N 2.93Å; A35-G37 PolarHBondContact O-N 2.69Å |
| 36 | A | 54.4 | Low | 61.4 | Low | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A32 K214 | A32-A36 WeakPolarHBondContact O-CB 3.48Å; A32-A36 PolarHBondContact O-N 2.67Å; A36-K214 HydrophobicContact CB-CD 3.41Å; A36-K214 VanDerWaalsContact CB-CD 3.41Å |
| 37 | G | 47.4 | Very low | 62.8 | Low | 43 Ų | 43 | 66.9 Ų | 66.9 | 44% | 0.443 | 38% | 0.382 | S | S | . | . | trans | 63.9 | 172.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A35 | A35-G37 PolarHBondContact O-N 2.69Š| ||
| 38 | S | 46.5 | Very low | 64.1 | Low | 78 Ų | 78 | 70.6 Ų | 70.6 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 128.5 | 171.3 | -63 | 0 | 0 | 0 | 0 | 110.1 | ||
| 39 | Q | 43.1 | Very low | 65.1 | Low | 103 Ų | 103 | 71.1 Ų | 71.1 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 156.4 | 172.9 | -76.1 | -80.5 | -21.5 | 0 | 0 | 111.1 | K41 | Q39-K41 PolarHBondContact O-N 2.94Š|
| 40 | V | 40.3 | Very low | 66.3 | Low | 132 Ų | 132 | 70.4 Ų | 70.4 | 80% | 0.8 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 133.8 | -178.3 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | D42 | V40-D42 PolarHBondContact O-N 2.82Š|
| 41 | K | 47.3 | Very low | 67.1 | Low | 106 Ų | 106 | 76.3 Ų | 76.3 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | trans | -68.5 | 104.9 | -175 | -67.9 | 166.1 | 165.1 | -165 | 0 | 111.5 | Q39 R44 D61 | Q39-K41 PolarHBondContact O-N 2.94Å; K41-R44 VanDerWaalsContact CE-NH2 3.29Å; K41-R44 VanDerWaalsContact CG-NH2 3.35Å; K41-D61 IonicContact NZ-OD2 2.79Å; K41-D61 PolarHBondContact NZ-OD2 3.45Å | ||
| 42 | D | 52.4 | Low | 68.1 | Low | 85 Ų | 85 | 73.9 Ų | 73.9 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 167.1 | 164.6 | -88.7 | -34.9 | 0 | 0 | 0 | 112.3 | V40 R44 | V40-D42 PolarHBondContact O-N 2.82Å; D42-R44 PolarHBondContact O-N 2.75Å |
| 43 | K | 58.8 | Low | 69.2 | Low | 181 Ų | 181 | 74.5 Ų | 74.5 | 79% | 0.787 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -53 | 124.7 | -176.1 | -75 | -173.2 | 176.5 | -170.4 | 0 | 111.8 | ||
| 44 | R | 76.1 | Confident | 70.1 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 19% | 0.192 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 131 | 178 | -64.3 | 167.8 | 170.6 | 76 | 21.9 | 110.7 | K41 D42 V58 E60 D61 D63 | K41-R44 VanDerWaalsContact CE-NH2 3.29Å; K41-R44 VanDerWaalsContact CG-NH2 3.35Å; D42-R44 PolarHBondContact O-N 2.75Å; R44-V58 HydrophobicContact CB-CB 3.84Å; R44-V58 HydrophobicContact CB-CG1 3.82Å; R44-V58 HydrophobicContact CB-CG2 4.13Å; R44-V58 WeakPolarHBondContact O-CB 3.47Å; R44-E60 PolarHBondContact NH1-O 3.42Å; R44-D61 VanDerWaalsContact NH1-CA 3.25Å; R44-D61 VanDerWaalsContact NH1-CB 3.26Å; R44-D63 VanDerWaalsContact CD-CB 3.48Å |
| 45 | K | 82.9 | Confident | 71.2 | Confident | 96 Ų | 96 | 78.6 Ų | 78.6 | 42% | 0.417 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 147.9 | 174.2 | -68.6 | -172.6 | -175.4 | 173.9 | 0 | 111.2 | V58 Q82 D155 E157 | K45-V58 WeakPolarHBondContact O-CG2 3.32Å; K45-Q82 PolarHBondContact O-NE2 3.16Å; K45-D155 IonicContact NZ-OD2 2.89Å; K45-E157 IonicContact NZ-OE2 3.39Å |
| 46 | V | 88.1 | Confident | 72.7 | Confident | 10 Ų | 10 | 75 Ų | 75 | 6% | 0.061 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 138.8 | 168.4 | 173.1 | 0 | 0 | 0 | 0 | 109 | E48 C50 V53 G56 V58 I84 | V46-E48 PolarHBondContact O-N 2.91Å; V46-C50 HydrophobicContact CG1-CB 3.5Å; V46-V53 HydrophobicContact CG1-CB 4.39Å; V46-G56 VanDerWaalsContact CG2-O 3.27Å; V46-G56 WeakPolarHBondContact CG2-O 3.5Å; V46-V58 HydrophobicContact CG2-CG2 4.03Å; V46-I84 HydrophobicContact CG1-CD1 3.62Å; V46-I84 HydrophobicContact CG1-CG1 4.42Å; V46-I84 HydrophobicContact CG2-CD1 4.23Å; V46-I84 HydrophobicContact CG2-CG1 4.16Å; V46-I84 HydrophobicContact CG2-CG2 3.92Å |
| 47 | D | 88.6 | Confident | 74.5 | Confident | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -51 | 133.4 | 177.7 | -179.3 | -109.1 | 0 | 0 | 0 | 111.9 | H49 C50 W93 R95 | D47-H49 PolarHBondContact O-N 3.01Å; D47-H49 PolarHBondContact OD1-N 2.95Å; D47-C50 WeakPolarHBondContact O-CB 3.47Å; D47-C50 PolarHBondContact O-N 2.84Å; D47-W93 VanDerWaalsContact CB-NE1 3.29Å; D47-W93 PolarHBondContact OD1-NE1 3.04Å; D47-R95 WeakPolarHBondContact OD1-CD 3.45Å; D47-R95 IonicContact OD1-CZ 3.84Å; D47-R95 IonicContact OD1-NE 2.73Å; D47-R95 PolarHBondContact OD1-NE 3.39Å; D47-R95 IonicContact OD1-NH2 2.64Å; D47-R95 IonicContact OD2-CZ 2.71Å; D47-R95 IonicContact OD2-NE 3.72Å; D47-R95 PolarHBondContact OD2-NE 3.04Å; D47-R95 VanDerWaalsContact OD2-NE 3.09Å; D47-R95 IonicContact OD2-NH2 2.82Å; D47-R95 PolarHBondContact OD2-NH2 3.17Å |
| 48 | E | 88.2 | Confident | 76.6 | Confident | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.7 | -173.4 | 65.2 | 176.2 | 176.2 | 0 | 0 | 114.2 | V46 K205 | V46-E48 PolarHBondContact O-N 2.91Å; E48-K205 IonicContact OE1-NZ 3.37Å; E48-K205 PolarHBondContact OE1-NZ 3.09Å |
| 49 | H | 89.1 | Confident | 78.6 | Confident | 64 Ų | 64 | 75.6 Ų | 75.6 | 30% | 0.296 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.3 | 180 | -64.6 | -63.2 | 0 | 0 | 0 | 113.2 | D47 W93 | D47-H49 PolarHBondContact O-N 3.01Å; D47-H49 PolarHBondContact OD1-N 2.95Å; H49-W93 HydrophobicContact CB-CZ2 4.31Å; H49-W93 VanDerWaalsContact O-CH2 3.26Å; H49-W93 WeakPolarHBondContact O-CH2 3.26Å |
| 50 | C | 90.8 | Very high | 80.7 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -80.6 | 133.7 | 174.4 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | V46 D47 L52 V53 I84 W93 | V46-C50 HydrophobicContact CG1-CB 3.5Å; D47-C50 WeakPolarHBondContact O-CB 3.47Å; D47-C50 PolarHBondContact O-N 2.84Å; C50-L52 PolarHBondContact O-N 3.27Å; C50-V53 WeakPolarHBondContact O-CB 3.44Å; C50-V53 WeakPolarHBondContact O-CG1 3.18Å; C50-V53 PolarHBondContact O-N 2.88Å; C50-I84 HydrophobicContact CB-CD1 4.45Å; C50-I84 VanDerWaalsContact SG-CD1 3.56Å; C50-W93 HydrophobicContact CB-CD2 4.04Å; C50-W93 HydrophobicContact CB-CE3 4.34Å; C50-W93 HydrophobicContact CB-CG 4.49Å; C50-W93 HydrophobicContact CB-CH2 4.19Å; C50-W93 HydrophobicContact CB-CZ2 3.95Å; C50-W93 HydrophobicContact CB-CZ3 4.41Å |
| 51 | Q | 90.8 | Very high | 82.8 | Confident | 154 Ų | 154 | 72.1 Ų | 72.1 | 72% | 0.72 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.3 | 174.9 | 65.7 | -174.8 | 29.2 | 0 | 0 | 114 | L107 | Q51-L107 HydrophobicContact CG-CD2 3.83Å; Q51-L107 VanDerWaalsContact NE2-CD2 3.25Å |
| 52 | L | 90.1 | Very high | 84.9 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 14.8 | 177.1 | -59.3 | 178.2 | 0 | 0 | 0 | 112.7 | C50 S54 S55 G56 I84 A86 F91 L107 | C50-L52 PolarHBondContact O-N 3.27Å; L52-S54 PolarHBondContact O-N 2.91Å; L52-S55 PolarHBondContact O-N 2.9Å; L52-G56 WeakPolarHBondContact O-CA 3.28Å; L52-G56 PolarHBondContact O-N 3.41Å; L52-I84 HydrophobicContact CB-CG2 4.45Å; L52-I84 HydrophobicContact CD1-CG2 4.3Å; L52-A86 HydrophobicContact CD1-CB 4Å; L52-A86 HydrophobicContact CD2-CB 4.35Å; L52-F91 HydrophobicContact CD1-CB 4.42Å; L52-F91 HydrophobicContact CD1-CD1 4.12Å; L52-F91 HydrophobicContact CD1-CD2 3.53Å; L52-F91 HydrophobicContact CD1-CE1 4.25Å; L52-F91 HydrophobicContact CD1-CE2 3.71Å; L52-F91 HydrophobicContact CD1-CG 3.77Å; L52-F91 HydrophobicContact CD1-CZ 4.07Å; L52-L107 HydrophobicContact CD1-CD1 4.39Å; L52-L107 HydrophobicContact CD1-CD2 3.82Å; L52-L107 HydrophobicContact CG-CD2 4.08Å |
| 53 | V | 88.7 | Confident | 86.6 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.4 | -175.3 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | V46 C50 | V46-V53 HydrophobicContact CG1-CB 4.39Å; C50-V53 WeakPolarHBondContact O-CB 3.44Å; C50-V53 WeakPolarHBondContact O-CG1 3.18Å; C50-V53 PolarHBondContact O-N 2.88Å |
| 54 | S | 86.6 | Confident | 88 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 81% | 0.811 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -16.9 | -178.1 | 52 | 0 | 0 | 0 | 0 | 114.5 | L52 | L52-S54 PolarHBondContact O-N 2.91Š|
| 55 | S | 89.4 | Confident | 88.6 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 49% | 0.49 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -9.2 | -171.3 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | L52 | L52-S55 PolarHBondContact O-N 2.9Š|
| 56 | G | 88.1 | Confident | 89 | Confident | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 154.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V46 L52 R85 | V46-G56 VanDerWaalsContact CG2-O 3.27Å; V46-G56 WeakPolarHBondContact CG2-O 3.5Å; L52-G56 WeakPolarHBondContact O-CA 3.28Å; L52-G56 PolarHBondContact O-N 3.41Å; G56-R85 CarbonylContact C-O 3.42Å; G56-R85 WeakPolarHBondContact CA-O 3.41Å |
| 57 | E | 91.3 | Very high | 89.1 | Confident | 134 Ų | 134 | 51.5 Ų | 51.5 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.6 | 172.2 | -63.6 | -172.7 | 155.6 | 0 | 0 | 109.6 | H59 I84 R85 | E57-H59 PolarHBondContact O-N 3.3Å; E57-I84 CarbonylContact O-C 3.54Å; E57-I84 WeakPolarHBondContact O-CA 3.39Å; E57-R85 PolarHBondContact N-O 3.22Å; E57-R85 PolarHBondContact O-N 3.07Å |
| 58 | V | 90.6 | Very high | 89.3 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.9 | 172.8 | 175 | 0 | 0 | 0 | 0 | 109.1 | R44 K45 V46 E60 D63 V83 | R44-V58 HydrophobicContact CB-CB 3.84Å; R44-V58 HydrophobicContact CB-CG1 3.82Å; R44-V58 HydrophobicContact CB-CG2 4.13Å; R44-V58 WeakPolarHBondContact O-CB 3.47Å; K45-V58 WeakPolarHBondContact O-CG2 3.32Å; V46-V58 HydrophobicContact CG2-CG2 4.03Å; V58-E60 PolarHBondContact O-N 2.76Å; V58-D63 HydrophobicContact CG1-CB 3.92Å; V58-V83 WeakPolarHBondContact CA-O 3.41Å |
| 59 | H | 89.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.5 | -179.5 | -178.4 | 70.4 | 0 | 0 | 0 | 111.3 | E57 D61 Y62 V83 | E57-H59 PolarHBondContact O-N 3.3Å; H59-D61 PolarHBondContact O-N 3.15Å; H59-D61 VanDerWaalsContact O-N 3.11Å; H59-Y62 AromaticContact CD2-CD2 3.95Å; H59-Y62 PolarHBondContact O-N 3.14Å; H59-Y62 VanDerWaalsContact O-N 3.08Å; H59-V83 HydrophobicContact CB-CB 4.2Å; H59-V83 HydrophobicContact CB-CG1 3.85Å; H59-V83 PolarHBondContact N-O 3.3Å |
| 60 | E | 87.3 | Confident | 89.4 | Confident | 137 Ų | 137 | 46.3 Ų | 46.3 | 64% | 0.64 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.1 | -112.9 | 177.3 | -63.3 | -176.7 | 177.8 | 0 | 0 | 112.6 | R44 V58 | R44-E60 PolarHBondContact NH1-O 3.42Å; V58-E60 PolarHBondContact O-N 2.76Å |
| 61 | D | 84.4 | Confident | 89.3 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 10.3 | 178.8 | 84.5 | -26.4 | 0 | 0 | 0 | 115.6 | K41 R44 H59 D63 W132 R135 | K41-D61 IonicContact NZ-OD2 2.79Å; K41-D61 PolarHBondContact NZ-OD2 3.45Å; R44-D61 VanDerWaalsContact NH1-CA 3.25Å; R44-D61 VanDerWaalsContact NH1-CB 3.26Å; H59-D61 PolarHBondContact O-N 3.15Å; H59-D61 VanDerWaalsContact O-N 3.11Å; D61-D63 PolarHBondContact O-N 2.68Å; D61-W132 WeakPolarHBondContact O-CZ2 3.31Å; D61-R135 IonicContact OD1-NH2 2.97Å; D61-R135 IonicContact OD2-CZ 3.72Å; D61-R135 IonicContact OD2-NE 3.93Å; D61-R135 PolarHBondContact OD2-NE 3.47Å; D61-R135 IonicContact OD2-NH2 2.64Å; D61-R135 PolarHBondContact OD2-NH2 2.88Å |
| 62 | Y | 90.3 | Very high | 88.9 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 67.7 | 178.1 | -73.9 | -91.1 | 0 | 0 | 0 | 111.9 | H59 Q82 V83 L117 F120 E121 W132 | H59-Y62 AromaticContact CD2-CD2 3.95Å; H59-Y62 PolarHBondContact O-N 3.14Å; H59-Y62 VanDerWaalsContact O-N 3.08Å; Y62-Q82 CarbonylContact O-C 3.5Å; Y62-Q82 WeakPolarHBondContact O-CA 3.36Å; Y62-V83 HydrophobicContact CD1-CG2 4.34Å; Y62-V83 HydrophobicContact CG-CG2 4.25Å; Y62-V83 PolarHBondContact O-N 2.96Å; Y62-L117 HydrophobicContact CD1-CD2 3.77Å; Y62-L117 HydrophobicContact CD2-CD2 3.62Å; Y62-L117 HydrophobicContact CE1-CB 4.29Å; Y62-L117 HydrophobicContact CE1-CD2 3.74Å; Y62-L117 HydrophobicContact CE1-CG 4.44Å; Y62-L117 HydrophobicContact CE2-CD1 4.16Å; Y62-L117 HydrophobicContact CE2-CD2 3.59Å; Y62-L117 HydrophobicContact CE2-CG 4.43Å; Y62-L117 HydrophobicContact CG-CD2 3.71Å; Y62-F120 VanDerWaalsContact C-CE2 3.41Å; Y62-F120 HydrophobicContact CD1-CB 4.35Å; Y62-F120 AromaticContact CD1-CD1 3.5Å; Y62-F120 HydrophobicContact CD1-CD1 3.5Å; Y62-F120 VanDerWaalsContact CD1-CD1 3.5Å; Y62-F120 HydrophobicContact CD1-CD2 4.36Å; Y62-F120 AromaticContact CD1-CE1 3.81Å; Y62-F120 HydrophobicContact CD1-CE1 3.81Å; Y62-F120 AromaticContact CD1-CG 3.83Å; Y62-F120 HydrophobicContact CD1-CG 3.83Å; Y62-F120 HydrophobicContact CD1-CZ 4.34Å; Y62-F120 HydrophobicContact CE1-CD1 4.11Å; Y62-F120 WeakPolarHBondContact O-CE2 3.33Å; Y62-E121 HydrophobicContact CE1-CG 4.06Å; Y62-E121 PolarHBondContact OH-OE1 3.06Å; Y62-E121 VanDerWaalsContact OH-OE1 3.05Å; Y62-W132 AromaticContact CD1-CD1 4Å; Y62-W132 AromaticContact CD1-NE1 3.74Å; Y62-W132 AromaticContact CE1-CD1 3.52Å; Y62-W132 AromaticContact CE1-NE1 3.64Å |
| 63 | D | 88.9 | Confident | 88.7 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 126.8 | 179 | 179.2 | 21.1 | 0 | 0 | 0 | 108.6 | R44 V58 D61 I81 Q82 | R44-D63 VanDerWaalsContact CD-CB 3.48Å; V58-D63 HydrophobicContact CG1-CB 3.92Å; D61-D63 PolarHBondContact O-N 2.68Å; D63-I81 CarbonylContact C-O 3.59Å; D63-I81 WeakPolarHBondContact CA-O 3.49Å; D63-Q82 HydrophobicContact CB-CG 4.17Å; D63-Q82 WeakPolarHBondContact OD1-CG 3.36Å; D63-Q82 PolarHBondContact OD1-NE2 3.06Å; D63-Q82 VanDerWaalsContact OD1-NE2 3.08Å |
| 64 | C | 87.9 | Confident | 88.6 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 142.8 | 173.2 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | L66 V80 I81 F120 W132 L147 | C64-L66 HydrophobicContact CB-CD2 4.38Å; C64-V80 WeakPolarHBondContact O-CA 3.36Å; C64-I81 PolarHBondContact N-O 3.27Å; C64-I81 PolarHBondContact O-N 2.72Å; C64-F120 HydrophobicContact CB-CZ 4.46Å; C64-W132 HydrophobicContact CB-CH2 4.03Å; C64-W132 HydrophobicContact CB-CZ3 3.75Å; C64-L147 HydrophobicContact CB-CD1 3.69Å |
| 65 | M | 88.4 | Confident | 88.7 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.7 | 167.8 | -179.1 | 67.3 | 69.7 | 0 | 0 | 108.3 | F78 V80 I148 V150 K206 | M65-F78 HydrophobicContact SD-CD2 4.39Å; M65-V80 HydrophobicContact CE-CG2 3.43Å; M65-V80 VanDerWaalsContact CE-CG2 3.43Å; M65-V80 HydrophobicContact SD-CG2 3.64Å; M65-I148 HydrophobicContact CB-CB 4.49Å; M65-I148 HydrophobicContact CG-CB 4.42Å; M65-I148 PolarHBondContact O-N 3.46Å; M65-V150 HydrophobicContact CB-CG2 4.11Å; M65-K206 HydrophobicContact CE-CG 4.13Å; M65-K206 HydrophobicContact SD-CD 3.93Å; M65-K206 HydrophobicContact SD-CG 4.04Å |
| 66 | L | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.3 | 178.9 | -49.6 | -179.5 | 0 | 0 | 0 | 109.9 | C64 F78 Y79 I81 F124 K127 T128 Y145 T146 L147 | C64-L66 HydrophobicContact CB-CD2 4.38Å; L66-F78 CarbonylContact O-C 3.53Å; L66-F78 VanDerWaalsContact O-CA 3.24Å; L66-F78 WeakPolarHBondContact O-CA 3.32Å; L66-Y79 WeakPolarHBondContact CB-O 3.31Å; L66-Y79 PolarHBondContact N-O 3.5Å; L66-Y79 PolarHBondContact O-N 3.07Å; L66-I81 HydrophobicContact CD1-CD1 4.04Å; L66-F124 HydrophobicContact CD2-CD2 4.32Å; L66-F124 HydrophobicContact CD2-CE2 4.02Å; L66-K127 HydrophobicContact CD1-CB 3.8Å; L66-K127 HydrophobicContact CD1-CG 4.49Å; L66-T128 HydrophobicContact CD1-CG2 3.74Å; L66-T128 HydrophobicContact CD2-CG2 3.84Å; L66-T128 HydrophobicContact CG-CG2 4.43Å; L66-Y145 HydrophobicContact CB-CD1 3.91Å; L66-Y145 HydrophobicContact CB-CG 4.19Å; L66-T146 CarbonylContact C-O 3.58Å; L66-T146 VanDerWaalsContact CA-O 3.32Å; L66-T146 WeakPolarHBondContact CA-O 3.31Å; L66-L147 HydrophobicContact CD2-CB 4.23Å; L66-L147 HydrophobicContact CD2-CD1 3.82Å |
| 67 | N | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.2 | 177.1 | -166.2 | 39.7 | 0 | 0 | 0 | 111.5 | K77 V99 Y145 T146 I148 F248 T249 | N67-K77 PolarHBondContact OD1-O 2.94Å; N67-V99 WeakPolarHBondContact OD1-CG2 3.36Å; N67-Y145 WeakPolarHBondContact O-CA 3.49Å; N67-T146 PolarHBondContact N-O 3.47Å; N67-T146 PolarHBondContact O-N 3.4Å; N67-I148 HydrophobicContact CB-CD1 3.77Å; N67-I148 HydrophobicContact CB-CG1 3.78Å; N67-F248 PolarHBondContact ND2-O 3.12Å; N67-T249 WeakPolarHBondContact ND2-CA 3.43Å; N67-T249 PolarHBondContact ND2-O 3.32Å; N67-T249 WeakPolarHBondContact O-CG2 3.34Å |
| 68 | Q | 92.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 35.6 Ų | 35.6 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 121.4 | 175 | 178 | 177.7 | 69.4 | 0 | 0 | 110.5 | K77 G143 K144 Y145 | Q68-K77 PolarHBondContact N-O 2.9Å; Q68-K77 PolarHBondContact O-N 3.06Å; Q68-G143 PolarHBondContact NE2-O 3.01Å; Q68-K144 VanDerWaalsContact NE2-N 3.19Å; Q68-K144 PolarHBondContact NE2-O 3.06Å; Q68-Y145 HydrophobicContact CB-CD1 3.71Å; Q68-Y145 HydrophobicContact CB-CD2 4.47Å; Q68-Y145 HydrophobicContact CB-CE1 3.96Å; Q68-Y145 HydrophobicContact CB-CG 3.99Å |
| 69 | T | 90.6 | Very high | 89 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136 | 169.5 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | N75 N76 S245 F248 T249 P260 | T69-N75 CarbonylContact C-O 3.43Å; T69-N75 VanDerWaalsContact CA-O 3.28Å; T69-N75 WeakPolarHBondContact CA-O 3.18Å; T69-N75 WeakPolarHBondContact CG2-O 3.29Å; T69-N76 HydrophobicContact CG2-CB 4.44Å; T69-N76 PolarHBondContact OG1-OD1 3.03Å; T69-S245 WeakPolarHBondContact O-CB 3.32Å; T69-F248 HydrophobicContact CG2-CB 3.74Å; T69-F248 HydrophobicContact CG2-CD2 4.48Å; T69-F248 VanDerWaalsContact OG1-C 3.31Å; T69-F248 PolarHBondContact OG1-O 3.46Å; T69-T249 PolarHBondContact N-OG1 2.88Å; T69-T249 PolarHBondContact O-OG1 2.75Å; T69-T249 PolarHBondContact OG1-N 3.27Å; T69-P260 HydrophobicContact CG2-CB 4.33Å; T69-P260 HydrophobicContact CG2-CG 3.87Å |
| 70 | N | 89.4 | Confident | 89.1 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 109.6 | 168 | -179.6 | -51.2 | 0 | 0 | 0 | 107.8 | G72 H73 N74 N75 | N70-G72 PolarHBondContact OD1-N 3.04Å; N70-H73 PolarHBondContact OD1-CD2 3.41Å; N70-H73 PolarHBondContact OD1-N 2.88Å; N70-N74 PolarHBondContact O-N 2.85Å; N70-N75 HydrophobicContact CB-CB 4.17Å; N70-N75 PolarHBondContact N-O 2.94Å; N70-N75 PolarHBondContact O-N 3.48Å |
| 71 | I | 87.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -45 | -176.7 | -69.1 | 175.4 | 0 | 0 | 0 | 111.1 | H73 N74 S245 F248 R259 P260 | I71-H73 VanDerWaalsContact C-N 3.28Å; I71-H73 PolarHBondContact O-N 2.91Å; I71-N74 PolarHBondContact O-N 3.03Å; I71-N74 VanDerWaalsContact O-N 3.11Å; I71-S245 WeakPolarHBondContact CG1-OG 3.48Å; I71-S245 PolarHBondContact N-OG 3.21Å; I71-F248 HydrophobicContact CD1-CD2 4.19Å; I71-F248 HydrophobicContact CD1-CE2 4.13Å; I71-R259 HydrophobicContact CG2-CG 4.31Å; I71-R259 PolarHBondContact O-NE 2.84Å; I71-P260 HydrophobicContact CG1-CB 4.04Å |
| 72 | G | 83.2 | Confident | 89.9 | Confident | 46 Ų | 46 | 26.9 Ų | 26.9 | 47% | 0.474 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -39.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N70 | N70-G72 PolarHBondContact OD1-N 3.04Š|
| 73 | H | 84.3 | Confident | 90.2 | Very high | 140 Ų | 140 | 25.5 Ų | 25.5 | 65% | 0.648 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 9.1 | 179.6 | -64.8 | -71.1 | 0 | 0 | 0 | 114.3 | N70 I71 N75 | N70-H73 PolarHBondContact OD1-CD2 3.41Å; N70-H73 PolarHBondContact OD1-N 2.88Å; I71-H73 VanDerWaalsContact C-N 3.28Å; I71-H73 PolarHBondContact O-N 2.91Å; H73-N75 WeakPolarHBondContact CB-ND2 3.38Å; H73-N75 PolarHBondContact O-N 2.91Å; H73-N75 VanDerWaalsContact O-N 3.16Å |
| 74 | N | 88.1 | Confident | 90.5 | Very high | 56 Ų | 56 | 23.7 Ų | 23.7 | 30% | 0.299 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 39.1 | -172.8 | -171.7 | 9.6 | 0 | 0 | 0 | 112.9 | N70 I71 R98 R257 S258 R259 | N70-N74 PolarHBondContact O-N 2.85Å; I71-N74 PolarHBondContact O-N 3.03Å; I71-N74 VanDerWaalsContact O-N 3.11Å; N74-R98 PolarHBondContact O-NH1 3.21Å; N74-R98 PolarHBondContact OD1-NH1 3.04Å; N74-R98 PolarHBondContact OD1-NH2 2.8Å; N74-R98 VanDerWaalsContact OD1-NH2 3.12Å; N74-R257 PolarHBondContact ND2-O 3.25Å; N74-S258 PolarHBondContact OD1-O 3.23Å; N74-R259 HydrophobicContact CB-CB 4.48Å; N74-R259 HydrophobicContact CB-CG 4.39Å; N74-R259 WeakPolarHBondContact OD1-CA 3.14Å |
| 75 | N | 87.6 | Confident | 90.7 | Very high | 39 Ų | 39 | 29.1 Ų | 29.1 | 21% | 0.209 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.8 | 173 | -68.3 | -45.1 | 0 | 0 | 0 | 108.3 | T69 N70 H73 K77 | T69-N75 CarbonylContact C-O 3.43Å; T69-N75 VanDerWaalsContact CA-O 3.28Å; T69-N75 WeakPolarHBondContact CA-O 3.18Å; T69-N75 WeakPolarHBondContact CG2-O 3.29Å; N70-N75 HydrophobicContact CB-CB 4.17Å; N70-N75 PolarHBondContact N-O 2.94Å; N70-N75 PolarHBondContact O-N 3.48Å; H73-N75 WeakPolarHBondContact CB-ND2 3.38Å; H73-N75 PolarHBondContact O-N 2.91Å; H73-N75 VanDerWaalsContact O-N 3.16Å; N75-K77 HydrophobicContact CB-CD 4.45Å; N75-K77 WeakPolarHBondContact OD1-CE 3.38Å; N75-K77 PolarHBondContact OD1-NZ 2.81Å |
| 76 | N | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 90.8 | 167.8 | -171.1 | 24.7 | 0 | 0 | 0 | 106.4 | T69 R98 V99 H253 P260 | T69-N76 HydrophobicContact CG2-CB 4.44Å; T69-N76 PolarHBondContact OG1-OD1 3.03Å; N76-R98 WeakPolarHBondContact O-CA 3.37Å; N76-R98 WeakPolarHBondContact O-CG 3.37Å; N76-V99 WeakPolarHBondContact O-CG2 3.42Å; N76-V99 PolarHBondContact O-N 2.87Å; N76-V99 WeakPolarHBondContact OD1-CG2 3.44Å; N76-H253 PolarHBondContact ND2-O 3.04Å; N76-P260 HydrophobicContact CB-CG 4.27Å |
| 77 | K | 90.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 36.6 Ų | 36.6 | 34% | 0.335 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.5 | -161.1 | -64.2 | 178.4 | -176.6 | 168.4 | 0 | 111.4 | N67 Q68 N75 G97 Y145 | N67-K77 PolarHBondContact OD1-O 2.94Å; Q68-K77 PolarHBondContact N-O 2.9Å; Q68-K77 PolarHBondContact O-N 3.06Å; N75-K77 HydrophobicContact CB-CD 4.45Å; N75-K77 WeakPolarHBondContact OD1-CE 3.38Å; N75-K77 PolarHBondContact OD1-NZ 2.81Å; K77-G97 VanDerWaalsContact CA-O 3.25Å; K77-G97 WeakPolarHBondContact CA-O 3.38Å; K77-Y145 HydrophobicContact CB-CE1 4.19Å |
| 78 | F | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 164.6 | 173.1 | 75 | -87.2 | 0 | 0 | 0 | 112.8 | M65 L66 V80 R95 W96 G97 R98 V99 E101 V102 K206 | M65-F78 HydrophobicContact SD-CD2 4.39Å; L66-F78 CarbonylContact O-C 3.53Å; L66-F78 VanDerWaalsContact O-CA 3.24Å; L66-F78 WeakPolarHBondContact O-CA 3.32Å; F78-V80 HydrophobicContact CD2-CG2 4.15Å; F78-V80 HydrophobicContact CE2-CG2 4.22Å; F78-R95 HydrophobicContact CE2-CG 4.13Å; F78-R95 HydrophobicContact CZ-CG 4.43Å; F78-W96 WeakPolarHBondContact O-CA 3.33Å; F78-W96 WeakPolarHBondContact O-CB 3.48Å; F78-G97 WeakPolarHBondContact CD1-O 3.14Å; F78-G97 PolarHBondContact N-O 3.02Å; F78-G97 PolarHBondContact O-N 3.5Å; F78-R98 VanDerWaalsContact CE1-O 3.31Å; F78-R98 WeakPolarHBondContact CE1-O 3.3Å; F78-V99 HydrophobicContact CB-CG2 4.4Å; F78-E101 WeakPolarHBondContact CE1-O 3.42Å; F78-V102 WeakPolarHBondContact CZ-O 3.37Å; F78-K206 HydrophobicContact CB-CD 3.86Å; F78-K206 VanDerWaalsContact CB-NZ 3.33Å; F78-K206 VanDerWaalsContact CD1-CE 3.49Å; F78-K206 HydrophobicContact CG-CD 4.34Å; F78-K206 VanDerWaalsContact CG-NZ 3.29Å |
| 79 | Y | 92.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 121.4 | 173.3 | -148.1 | -74.6 | 0 | 0 | 0 | 109.9 | L66 I81 N94 R95 W96 K123 | L66-Y79 WeakPolarHBondContact CB-O 3.31Å; L66-Y79 PolarHBondContact N-O 3.5Å; L66-Y79 PolarHBondContact O-N 3.07Å; Y79-I81 HydrophobicContact CD1-CD1 4.04Å; Y79-I81 HydrophobicContact CD1-CG1 3.52Å; Y79-I81 HydrophobicContact CE1-CD1 4.21Å; Y79-I81 HydrophobicContact CE1-CG1 3.75Å; Y79-N94 HydrophobicContact CE1-CB 3.98Å; Y79-N94 WeakPolarHBondContact CE1-OD1 3.48Å; Y79-R95 CarbonylContact C-O 3.53Å; Y79-R95 WeakPolarHBondContact CA-O 3.37Å; Y79-W96 HydrophobicContact CD2-CB 3.35Å; Y79-W96 HydrophobicContact CD2-CG 4.07Å; Y79-W96 HydrophobicContact CE1-CE3 4.5Å; Y79-W96 HydrophobicContact CE2-CB 3.52Å; Y79-W96 AromaticContact CE2-CD2 3.88Å; Y79-W96 HydrophobicContact CE2-CD2 3.88Å; Y79-W96 AromaticContact CE2-CE3 3.89Å; Y79-W96 HydrophobicContact CE2-CE3 3.89Å; Y79-W96 AromaticContact CE2-CG 3.74Å; Y79-W96 HydrophobicContact CE2-CG 3.74Å; Y79-W96 HydrophobicContact CG-CB 4.01Å; Y79-W96 AromaticContact CZ-CE3 3.73Å; Y79-K123 HydrophobicContact CE1-CD 4.42Å; Y79-K123 HydrophobicContact CE1-CG 4.1Å |
| 80 | V | 92.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.7 | 170.5 | -175.7 | 0 | 0 | 0 | 0 | 108 | C64 M65 F78 Q82 N94 R95 | C64-V80 WeakPolarHBondContact O-CA 3.36Å; M65-V80 HydrophobicContact CE-CG2 3.43Å; M65-V80 VanDerWaalsContact CE-CG2 3.43Å; M65-V80 HydrophobicContact SD-CG2 3.64Å; F78-V80 HydrophobicContact CD2-CG2 4.15Å; F78-V80 HydrophobicContact CE2-CG2 4.22Å; V80-Q82 HydrophobicContact CG1-CG 4.26Å; V80-N94 VanDerWaalsContact O-CA 3.3Å; V80-N94 WeakPolarHBondContact O-CA 3.34Å; V80-R95 HydrophobicContact CB-CB 4.18Å; V80-R95 HydrophobicContact CG2-CB 4.48Å; V80-R95 PolarHBondContact N-O 3.25Å; V80-R95 PolarHBondContact O-N 2.97Å |
| 81 | I | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.3 | 172 | -41.2 | 176.9 | 0 | 0 | 0 | 107.4 | D63 C64 L66 Y79 W93 F120 K123 F124 | D63-I81 CarbonylContact C-O 3.59Å; D63-I81 WeakPolarHBondContact CA-O 3.49Å; C64-I81 PolarHBondContact N-O 3.27Å; C64-I81 PolarHBondContact O-N 2.72Å; L66-I81 HydrophobicContact CD1-CD1 4.04Å; Y79-I81 HydrophobicContact CD1-CD1 4.04Å; Y79-I81 HydrophobicContact CD1-CG1 3.52Å; Y79-I81 HydrophobicContact CE1-CD1 4.21Å; Y79-I81 HydrophobicContact CE1-CG1 3.75Å; I81-W93 CarbonylContact C-O 3.49Å; I81-W93 WeakPolarHBondContact CA-O 3.38Å; I81-F120 HydrophobicContact CB-CD2 4.08Å; I81-F120 HydrophobicContact CB-CE2 3.85Å; I81-F120 HydrophobicContact CG2-CD2 3.36Å; I81-F120 HydrophobicContact CG2-CE2 3.69Å; I81-F120 HydrophobicContact CG2-CG 4.06Å; I81-F120 WeakPolarHBondContact O-CE2 3.44Å; I81-K123 HydrophobicContact CD1-CB 4.04Å; I81-K123 HydrophobicContact CD1-CG 3.7Å; I81-K123 HydrophobicContact CG1-CG 4.4Å; I81-F124 HydrophobicContact CD1-CB 4.43Å |
| 82 | Q | 94.6 | Very high | 91 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.1 | 176.1 | -74 | -176.4 | -32.2 | 0 | 0 | 111 | K45 Y62 D63 V80 I84 W93 | K45-Q82 PolarHBondContact O-NE2 3.16Å; Y62-Q82 CarbonylContact O-C 3.5Å; Y62-Q82 WeakPolarHBondContact O-CA 3.36Å; D63-Q82 HydrophobicContact CB-CG 4.17Å; D63-Q82 WeakPolarHBondContact OD1-CG 3.36Å; D63-Q82 PolarHBondContact OD1-NE2 3.06Å; D63-Q82 VanDerWaalsContact OD1-NE2 3.08Å; V80-Q82 HydrophobicContact CG1-CG 4.26Å; Q82-I84 HydrophobicContact CB-CG1 4.22Å; Q82-W93 HydrophobicContact CB-CB 4.18Å; Q82-W93 PolarHBondContact N-O 3.3Å; Q82-W93 PolarHBondContact O-N 3.08Å |
| 83 | V | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.1 | 161.2 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | V58 H59 Y62 F91 L113 A116 L117 F120 | V58-V83 WeakPolarHBondContact CA-O 3.41Å; H59-V83 HydrophobicContact CB-CB 4.2Å; H59-V83 HydrophobicContact CB-CG1 3.85Å; H59-V83 PolarHBondContact N-O 3.3Å; Y62-V83 HydrophobicContact CD1-CG2 4.34Å; Y62-V83 HydrophobicContact CG-CG2 4.25Å; Y62-V83 PolarHBondContact O-N 2.96Å; V83-F91 CarbonylContact C-O 3.58Å; V83-F91 WeakPolarHBondContact CA-O 3.46Å; V83-L113 HydrophobicContact CG1-CD1 4.43Å; V83-A116 HydrophobicContact CG1-CB 4.1Å; V83-L117 HydrophobicContact CG1-CD2 4.22Å; V83-L117 HydrophobicContact CG2-CD2 4.12Å; V83-F120 HydrophobicContact CG2-CB 3.64Å; V83-F120 HydrophobicContact CG2-CD2 3.74Å; V83-F120 HydrophobicContact CG2-CG 3.94Å |
| 84 | I | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.9 | -176.9 | -56.1 | 169.8 | 0 | 0 | 0 | 108.6 | V46 C50 L52 E57 Q82 Y90 F91 W93 L107 | V46-I84 HydrophobicContact CG1-CD1 3.62Å; V46-I84 HydrophobicContact CG1-CG1 4.42Å; V46-I84 HydrophobicContact CG2-CD1 4.23Å; V46-I84 HydrophobicContact CG2-CG1 4.16Å; V46-I84 HydrophobicContact CG2-CG2 3.92Å; C50-I84 HydrophobicContact CB-CD1 4.45Å; C50-I84 VanDerWaalsContact SG-CD1 3.56Å; L52-I84 HydrophobicContact CB-CG2 4.45Å; L52-I84 HydrophobicContact CD1-CG2 4.3Å; E57-I84 CarbonylContact O-C 3.54Å; E57-I84 WeakPolarHBondContact O-CA 3.39Å; Q82-I84 HydrophobicContact CB-CG1 4.22Å; I84-Y90 CarbonylContact O-C 3.56Å; I84-Y90 WeakPolarHBondContact O-CA 3.37Å; I84-F91 HydrophobicContact CB-CB 4.41Å; I84-F91 PolarHBondContact N-O 2.99Å; I84-F91 PolarHBondContact O-N 2.95Å; I84-W93 HydrophobicContact CD1-CB 3.64Å; I84-W93 HydrophobicContact CD1-CG 4.23Å; I84-W93 HydrophobicContact CG1-CB 4.38Å; I84-L107 HydrophobicContact CD1-CD1 4.4Å |
| 85 | R | 92.4 | Very high | 92.5 | Very high | 119 Ų | 119 | 34.8 Ų | 34.8 | 45% | 0.449 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.8 | 166.6 | -177.5 | -178.6 | 178.8 | 176.4 | 0.6 | 108.2 | G56 E57 Y90 | G56-R85 CarbonylContact C-O 3.42Å; G56-R85 WeakPolarHBondContact CA-O 3.41Å; E57-R85 PolarHBondContact N-O 3.22Å; E57-R85 PolarHBondContact O-N 3.07Å; R85-Y90 HydrophobicContact CB-CD1 4.25Å; R85-Y90 HydrophobicContact CB-CE1 4.19Å; R85-Y90 HydrophobicContact CG-CD1 4.34Å; R85-Y90 HydrophobicContact CG-CE1 3.96Å |
| 86 | A | 91.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L52 N88 A89 F91 | L52-A86 HydrophobicContact CD1-CB 4Å; L52-A86 HydrophobicContact CD2-CB 4.35Å; A86-N88 PolarHBondContact O-N 2.85Å; A86-N88 VanDerWaalsContact O-N 3.14Å; A86-A89 PolarHBondContact N-O 3.38Å; A86-A89 VanDerWaalsContact N-O 3.13Å; A86-A89 PolarHBondContact O-N 2.92Å; A86-A89 VanDerWaalsContact O-O 3.14Å; A86-F91 HydrophobicContact CB-CD2 4.44Å; A86-F91 HydrophobicContact CB-CE2 3.99Å |
| 87 | E | 85.6 | Confident | 93 | Very high | 174 Ų | 174 | 37.2 Ų | 37.2 | 81% | 0.813 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | -116 | -173.3 | -55.6 | 174.7 | -177.3 | 0 | 0 | 111.4 | ||
| 88 | N | 83.7 | Confident | 92.9 | Very high | 156 Ų | 156 | 35.6 Ų | 35.6 | 83% | 0.834 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 17.9 | 178.4 | -71.5 | -30.6 | 0 | 0 | 0 | 113.3 | A86 | A86-N88 PolarHBondContact O-N 2.85Å; A86-N88 VanDerWaalsContact O-N 3.14Å |
| 89 | A | 91.2 | Very high | 92.6 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 157 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A86 F91 | A86-A89 PolarHBondContact N-O 3.38Å; A86-A89 VanDerWaalsContact N-O 3.13Å; A86-A89 PolarHBondContact O-N 2.92Å; A86-A89 VanDerWaalsContact O-O 3.14Å; A89-F91 HydrophobicContact CB-CE2 3.66Å; A89-F91 HydrophobicContact CB-CZ 3.81Å |
| 90 | Y | 94.8 | Very high | 92.1 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142 | 177.1 | -61.5 | -84.5 | 0 | 0 | 0 | 109.9 | I84 R85 F110 L113 | I84-Y90 CarbonylContact O-C 3.56Å; I84-Y90 WeakPolarHBondContact O-CA 3.37Å; R85-Y90 HydrophobicContact CB-CD1 4.25Å; R85-Y90 HydrophobicContact CB-CE1 4.19Å; R85-Y90 HydrophobicContact CG-CD1 4.34Å; R85-Y90 HydrophobicContact CG-CE1 3.96Å; Y90-F110 PolarHBondContact O-N 2.83Å; Y90-L113 HydrophobicContact CD1-CB 4.07Å; Y90-L113 HydrophobicContact CD1-CD1 3.6Å; Y90-L113 HydrophobicContact CD1-CG 4.39Å; Y90-L113 HydrophobicContact CD2-CB 4.08Å; Y90-L113 HydrophobicContact CE1-CB 3.85Å; Y90-L113 HydrophobicContact CE1-CD1 3.66Å; Y90-L113 HydrophobicContact CE1-CD2 4.37Å; Y90-L113 HydrophobicContact CE1-CG 4.15Å; Y90-L113 HydrophobicContact CE2-CB 3.86Å; Y90-L113 HydrophobicContact CG-CB 4.17Å; Y90-L113 HydrophobicContact CG-CD1 4.32Å |
| 91 | F | 95.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.9 | -176.7 | -55.8 | -97.7 | 0 | 0 | 0 | 111 | L52 V83 I84 A86 A89 L107 T108 P109 | L52-F91 HydrophobicContact CD1-CB 4.42Å; L52-F91 HydrophobicContact CD1-CD1 4.12Å; L52-F91 HydrophobicContact CD1-CD2 3.53Å; L52-F91 HydrophobicContact CD1-CE1 4.25Å; L52-F91 HydrophobicContact CD1-CE2 3.71Å; L52-F91 HydrophobicContact CD1-CG 3.77Å; L52-F91 HydrophobicContact CD1-CZ 4.07Å; V83-F91 CarbonylContact C-O 3.58Å; V83-F91 WeakPolarHBondContact CA-O 3.46Å; I84-F91 HydrophobicContact CB-CB 4.41Å; I84-F91 PolarHBondContact N-O 2.99Å; I84-F91 PolarHBondContact O-N 2.95Å; A86-F91 HydrophobicContact CB-CD2 4.44Å; A86-F91 HydrophobicContact CB-CE2 3.99Å; A89-F91 HydrophobicContact CB-CE2 3.66Å; A89-F91 HydrophobicContact CB-CZ 3.81Å; F91-L107 HydrophobicContact CB-CD1 3.65Å; F91-L107 HydrophobicContact CB-CG 4.13Å; F91-L107 HydrophobicContact CD1-CD1 4.3Å; F91-L107 HydrophobicContact CD1-CD2 3.83Å; F91-L107 HydrophobicContact CD1-CG 3.89Å; F91-L107 HydrophobicContact CE1-CD2 4.32Å; F91-L107 HydrophobicContact CG-CD1 4.24Å; F91-L107 HydrophobicContact CG-CD2 4.41Å; F91-L107 HydrophobicContact CG-CG 4.34Å; F91-T108 CarbonylContact C-O 3.44Å; F91-T108 VanDerWaalsContact CA-O 3.27Å; F91-T108 WeakPolarHBondContact CA-O 3.31Å; F91-P109 HydrophobicContact CD1-CB 3.9Å; F91-P109 HydrophobicContact CE1-CB 3.8Å |
| 92 | S | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114 | 164.4 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | N94 T108 F110 D119 | S92-N94 PolarHBondContact OG-ND2 3.32Å; S92-N94 VanDerWaalsContact OG-ND2 3.16Å; S92-T108 PolarHBondContact N-O 3.2Å; S92-T108 PolarHBondContact O-N 2.96Å; S92-F110 VanDerWaalsContact CB-CE2 3.49Å; S92-D119 VanDerWaalsContact CB-OD2 3.24Å; S92-D119 WeakPolarHBondContact CB-OD2 3.37Å; S92-D119 PolarHBondContact OG-OD2 3.44Å |
| 93 | W | 96.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.9 | 173.7 | 174.1 | -114.4 | 0 | 0 | 0 | 110.2 | D47 H49 C50 I81 Q82 I84 R95 S105 L107 | D47-W93 VanDerWaalsContact CB-NE1 3.29Å; D47-W93 PolarHBondContact OD1-NE1 3.04Å; H49-W93 HydrophobicContact CB-CZ2 4.31Å; H49-W93 VanDerWaalsContact O-CH2 3.26Å; H49-W93 WeakPolarHBondContact O-CH2 3.26Å; C50-W93 HydrophobicContact CB-CD2 4.04Å; C50-W93 HydrophobicContact CB-CE3 4.34Å; C50-W93 HydrophobicContact CB-CG 4.49Å; C50-W93 HydrophobicContact CB-CH2 4.19Å; C50-W93 HydrophobicContact CB-CZ2 3.95Å; C50-W93 HydrophobicContact CB-CZ3 4.41Å; I81-W93 CarbonylContact C-O 3.49Å; I81-W93 WeakPolarHBondContact CA-O 3.38Å; Q82-W93 HydrophobicContact CB-CB 4.18Å; Q82-W93 PolarHBondContact N-O 3.3Å; Q82-W93 PolarHBondContact O-N 3.08Å; I84-W93 HydrophobicContact CD1-CB 3.64Å; I84-W93 HydrophobicContact CD1-CG 4.23Å; I84-W93 HydrophobicContact CG1-CB 4.38Å; W93-R95 HydrophobicContact CZ2-CB 4.22Å; W93-S105 VanDerWaalsContact CH2-OG 3.31Å; W93-S105 WeakPolarHBondContact CH2-OG 3.46Å; W93-L107 HydrophobicContact CB-CD1 3.98Å; W93-L107 HydrophobicContact CD2-CD1 4.47Å; W93-L107 HydrophobicContact CE3-CB 3.77Å; W93-L107 HydrophobicContact CE3-CD1 3.76Å; W93-L107 HydrophobicContact CE3-CG 4.38Å; W93-L107 HydrophobicContact CZ3-CB 3.99Å |
| 94 | N | 96.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.3 | 176.2 | -62.9 | -99.9 | 0 | 0 | 0 | 108.8 | Y79 V80 S92 W96 S105 K106 K123 | Y79-N94 HydrophobicContact CE1-CB 3.98Å; Y79-N94 WeakPolarHBondContact CE1-OD1 3.48Å; V80-N94 VanDerWaalsContact O-CA 3.3Å; V80-N94 WeakPolarHBondContact O-CA 3.34Å; S92-N94 PolarHBondContact OG-ND2 3.32Å; S92-N94 VanDerWaalsContact OG-ND2 3.16Å; N94-W96 HydrophobicContact CB-CE3 4.11Å; N94-W96 HydrophobicContact CB-CZ3 3.83Å; N94-S105 CarbonylContact O-C 3.57Å; N94-S105 WeakPolarHBondContact O-CA 3.22Å; N94-K106 PolarHBondContact N-O 2.97Å; N94-K106 PolarHBondContact O-N 2.92Å; N94-K123 WeakPolarHBondContact OD1-CG 3.07Å |
| 95 | R | 94.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.8 | 173.3 | -174.2 | 171.5 | 64.6 | 92.6 | -3.5 | 110.5 | D47 F78 Y79 V80 W93 V102 Q104 | D47-R95 WeakPolarHBondContact OD1-CD 3.45Å; D47-R95 IonicContact OD1-CZ 3.84Å; D47-R95 IonicContact OD1-NE 2.73Å; D47-R95 PolarHBondContact OD1-NE 3.39Å; D47-R95 IonicContact OD1-NH2 2.64Å; D47-R95 IonicContact OD2-CZ 2.71Å; D47-R95 IonicContact OD2-NE 3.72Å; D47-R95 PolarHBondContact OD2-NE 3.04Å; D47-R95 VanDerWaalsContact OD2-NE 3.09Å; D47-R95 IonicContact OD2-NH2 2.82Å; D47-R95 PolarHBondContact OD2-NH2 3.17Å; F78-R95 HydrophobicContact CE2-CG 4.13Å; F78-R95 HydrophobicContact CZ-CG 4.43Å; Y79-R95 CarbonylContact C-O 3.53Å; Y79-R95 WeakPolarHBondContact CA-O 3.37Å; V80-R95 HydrophobicContact CB-CB 4.18Å; V80-R95 HydrophobicContact CG2-CB 4.48Å; V80-R95 PolarHBondContact N-O 3.25Å; V80-R95 PolarHBondContact O-N 2.97Å; W93-R95 HydrophobicContact CZ2-CB 4.22Å; R95-V102 PolarHBondContact NH1-O 3.29Å; R95-Q104 CarbonylContact C-O 3.48Å; R95-Q104 WeakPolarHBondContact CA-O 3.3Å; R95-Q104 WeakPolarHBondContact CG-O 3.5Å |
| 96 | W | 94.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 54.3 Ų | 54.3 | 27% | 0.269 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151.3 | -175.4 | 64.9 | 87.5 | 0 | 0 | 0 | 111.9 | F78 Y79 N94 G103 Q104 K106 | F78-W96 WeakPolarHBondContact O-CA 3.33Å; F78-W96 WeakPolarHBondContact O-CB 3.48Å; Y79-W96 HydrophobicContact CD2-CB 3.35Å; Y79-W96 HydrophobicContact CD2-CG 4.07Å; Y79-W96 HydrophobicContact CE1-CE3 4.5Å; Y79-W96 HydrophobicContact CE2-CB 3.52Å; Y79-W96 AromaticContact CE2-CD2 3.88Å; Y79-W96 HydrophobicContact CE2-CD2 3.88Å; Y79-W96 AromaticContact CE2-CE3 3.89Å; Y79-W96 HydrophobicContact CE2-CE3 3.89Å; Y79-W96 AromaticContact CE2-CG 3.74Å; Y79-W96 HydrophobicContact CE2-CG 3.74Å; Y79-W96 HydrophobicContact CG-CB 4.01Å; Y79-W96 AromaticContact CZ-CE3 3.73Å; N94-W96 HydrophobicContact CB-CE3 4.11Å; N94-W96 HydrophobicContact CB-CZ3 3.83Å; W96-G103 CarbonylContact O-C 3.42Å; W96-G103 VanDerWaalsContact O-CA 3.23Å; W96-G103 WeakPolarHBondContact O-CA 3.5Å; W96-Q104 HydrophobicContact CZ2-CB 3.98Å; W96-Q104 PolarHBondContact N-O 3.5Å; W96-Q104 PolarHBondContact O-N 3.05Å; W96-K106 HydrophobicContact CH2-CB 3.95Å; W96-K106 HydrophobicContact CZ3-CB 3.98Å |
| 97 | G | 92.3 | Very high | 91.9 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -167 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K77 F78 | K77-G97 VanDerWaalsContact CA-O 3.25Å; K77-G97 WeakPolarHBondContact CA-O 3.38Å; F78-G97 WeakPolarHBondContact CD1-O 3.14Å; F78-G97 PolarHBondContact N-O 3.02Å; F78-G97 PolarHBondContact O-N 3.5Å |
| 98 | R | 88.8 | Confident | 92.3 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 141.4 | 171.9 | -170.4 | 168.8 | 179.9 | 90.1 | 3.2 | 110.1 | N74 N76 F78 E101 G256 S258 | N74-R98 PolarHBondContact O-NH1 3.21Å; N74-R98 PolarHBondContact OD1-NH1 3.04Å; N74-R98 PolarHBondContact OD1-NH2 2.8Å; N74-R98 VanDerWaalsContact OD1-NH2 3.12Å; N76-R98 WeakPolarHBondContact O-CA 3.37Å; N76-R98 WeakPolarHBondContact O-CG 3.37Å; F78-R98 VanDerWaalsContact CE1-O 3.31Å; F78-R98 WeakPolarHBondContact CE1-O 3.3Å; R98-E101 HydrophobicContact CB-CG 4.39Å; R98-E101 PolarHBondContact O-N 2.84Å; R98-G256 PolarHBondContact NE-O 2.84Å; R98-G256 PolarHBondContact NH2-O 3.48Å; R98-S258 PolarHBondContact NH2-O 3.42Å |
| 99 | V | 86.1 | Confident | 92.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 135.5 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | N67 N76 F78 D203 K206 H253 | N67-V99 WeakPolarHBondContact OD1-CG2 3.36Å; N76-V99 WeakPolarHBondContact O-CG2 3.42Å; N76-V99 PolarHBondContact O-N 2.87Å; N76-V99 WeakPolarHBondContact OD1-CG2 3.44Å; F78-V99 HydrophobicContact CB-CG2 4.4Å; V99-D203 HydrophobicContact CG1-CB 3.8Å; V99-D203 WeakPolarHBondContact CG1-OD2 3.48Å; V99-K206 VanDerWaalsContact CA-NZ 3.31Å; V99-H253 WeakPolarHBondContact CG1-O 3.47Å |
| 100 | G | 83 | Confident | 93 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -12.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | D203 | G100-D203 PolarHBondContact N-OD2 3.08Å; G100-D203 VanDerWaalsContact N-OD2 3.08Å |
| 101 | E | 87.9 | Confident | 92.7 | Very high | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -107.4 | 159.3 | 177.5 | -61.4 | -176.6 | -175 | 0 | 0 | 111.7 | F78 R98 G103 R257 | F78-E101 WeakPolarHBondContact CE1-O 3.42Å; R98-E101 HydrophobicContact CB-CG 4.39Å; R98-E101 PolarHBondContact O-N 2.84Å; E101-G103 VanDerWaalsContact C-N 3.33Å; E101-G103 PolarHBondContact O-N 2.63Å; E101-R257 IonicContact OE1-NE 2.78Å |
| 102 | V | 87.6 | Confident | 92.6 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | trans | -63.6 | -38.7 | 179.4 | 174.7 | 0 | 0 | 0 | 0 | 112 | F78 R95 | F78-V102 WeakPolarHBondContact CZ-O 3.37Å; R95-V102 PolarHBondContact NH1-O 3.29Å | ||
| 103 | G | 90.8 | Very high | 92.5 | Very high | 36 Ų | 36 | 53 Ų | 53 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | trans | 81.2 | -168.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W96 E101 | W96-G103 CarbonylContact O-C 3.42Å; W96-G103 VanDerWaalsContact O-CA 3.23Å; W96-G103 WeakPolarHBondContact O-CA 3.5Å; E101-G103 VanDerWaalsContact C-N 3.33Å; E101-G103 PolarHBondContact O-N 2.63Å | ||
| 104 | Q | 94.9 | Very high | 92.4 | Very high | 131 Ų | 131 | 58.3 Ų | 58.3 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 155.4 | 170.3 | -66.4 | 177.4 | -5.5 | 0 | 0 | 109.5 | R95 W96 | R95-Q104 CarbonylContact C-O 3.48Å; R95-Q104 WeakPolarHBondContact CA-O 3.3Å; R95-Q104 WeakPolarHBondContact CG-O 3.5Å; W96-Q104 HydrophobicContact CZ2-CB 3.98Å; W96-Q104 PolarHBondContact N-O 3.5Å; W96-Q104 PolarHBondContact O-N 3.05Å |
| 105 | S | 96.3 | Very high | 92.4 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 161.6 | 177.8 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | W93 N94 | W93-S105 VanDerWaalsContact CH2-OG 3.31Å; W93-S105 WeakPolarHBondContact CH2-OG 3.46Å; N94-S105 CarbonylContact O-C 3.57Å; N94-S105 WeakPolarHBondContact O-CA 3.22Å |
| 106 | K | 96.9 | Very high | 92.4 | Very high | 120 Ų | 120 | 59.7 Ų | 59.7 | 52% | 0.522 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 121.7 | 174.8 | -174.7 | 177.6 | -178.8 | -179.8 | 0 | 109.9 | N94 W96 T108 | N94-K106 PolarHBondContact N-O 2.97Å; N94-K106 PolarHBondContact O-N 2.92Å; W96-K106 HydrophobicContact CH2-CB 3.95Å; W96-K106 HydrophobicContact CZ3-CB 3.98Å; K106-T108 WeakPolarHBondContact CE-OG1 3.46Å |
| 107 | L | 96.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.3 | 166.9 | -168.3 | 72.1 | 0 | 0 | 0 | 108.9 | Q51 L52 I84 F91 W93 | Q51-L107 HydrophobicContact CG-CD2 3.83Å; Q51-L107 VanDerWaalsContact NE2-CD2 3.25Å; L52-L107 HydrophobicContact CD1-CD1 4.39Å; L52-L107 HydrophobicContact CD1-CD2 3.82Å; L52-L107 HydrophobicContact CG-CD2 4.08Å; I84-L107 HydrophobicContact CD1-CD1 4.4Å; F91-L107 HydrophobicContact CB-CD1 3.65Å; F91-L107 HydrophobicContact CB-CG 4.13Å; F91-L107 HydrophobicContact CD1-CD1 4.3Å; F91-L107 HydrophobicContact CD1-CD2 3.83Å; F91-L107 HydrophobicContact CD1-CG 3.89Å; F91-L107 HydrophobicContact CE1-CD2 4.32Å; F91-L107 HydrophobicContact CG-CD1 4.24Å; F91-L107 HydrophobicContact CG-CD2 4.41Å; F91-L107 HydrophobicContact CG-CG 4.34Å; W93-L107 HydrophobicContact CB-CD1 3.98Å; W93-L107 HydrophobicContact CD2-CD1 4.47Å; W93-L107 HydrophobicContact CE3-CB 3.77Å; W93-L107 HydrophobicContact CE3-CD1 3.76Å; W93-L107 HydrophobicContact CE3-CG 4.38Å; W93-L107 HydrophobicContact CZ3-CB 3.99Å |
| 108 | T | 95.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 20% | 0.202 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.6 | 179.7 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | F91 S92 K106 F110 | F91-T108 CarbonylContact C-O 3.44Å; F91-T108 VanDerWaalsContact CA-O 3.27Å; F91-T108 WeakPolarHBondContact CA-O 3.31Å; S92-T108 PolarHBondContact N-O 3.2Å; S92-T108 PolarHBondContact O-N 2.96Å; K106-T108 WeakPolarHBondContact CE-OG1 3.46Å; T108-F110 HydrophobicContact CG2-CE2 3.76Å; T108-F110 HydrophobicContact CG2-CZ 3.8Å; T108-F110 VanDerWaalsContact O-CD2 3.29Å; T108-F110 WeakPolarHBondContact O-CD2 3.5Å; T108-F110 VanDerWaalsContact O-CE2 3.31Å; T108-F110 WeakPolarHBondContact O-CE2 3.49Å |
| 109 | P | 94.9 | Very high | 93 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 147.9 | 177.6 | 31.4 | -34.1 | 0 | 0 | 0 | 111.9 | F91 | F91-P109 HydrophobicContact CD1-CB 3.9Å; F91-P109 HydrophobicContact CE1-CB 3.8Å |
| 110 | F | 94.1 | Very high | 93.5 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 19% | 0.193 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.4 | 176 | -66.8 | -88.3 | 0 | 0 | 0 | 111 | Y90 S92 T108 N112 A116 D119 | Y90-F110 PolarHBondContact O-N 2.83Å; S92-F110 VanDerWaalsContact CB-CE2 3.49Å; T108-F110 HydrophobicContact CG2-CE2 3.76Å; T108-F110 HydrophobicContact CG2-CZ 3.8Å; T108-F110 VanDerWaalsContact O-CD2 3.29Å; T108-F110 WeakPolarHBondContact O-CD2 3.5Å; T108-F110 VanDerWaalsContact O-CE2 3.31Å; T108-F110 WeakPolarHBondContact O-CE2 3.49Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-A116 HydrophobicContact CB-CB 4.07Å; F110-A116 HydrophobicContact CD2-CB 3.77Å; F110-A116 HydrophobicContact CE2-CB 4.47Å; F110-A116 HydrophobicContact CG-CB 3.96Å; F110-D119 HydrophobicContact CE1-CB 4.06Å; F110-D119 HydrophobicContact CE2-CB 4.19Å; F110-D119 HydrophobicContact CZ-CB 3.48Å; F110-D119 VanDerWaalsContact CZ-CB 3.48Å |
| 111 | A | 87.9 | Confident | 94.1 | Very high | 103 Ų | 103 | 64.3 Ų | 64.3 | 85% | 0.851 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.7 | -23 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 112 | N | 93.3 | Very high | 94.6 | Very high | 72 Ų | 72 | 68 Ų | 68 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -145.8 | 157.4 | 179.5 | 59.9 | 67.3 | 0 | 0 | 0 | 111.2 | F110 E114 S115 A116 | F110-N112 VanDerWaalsContact C-N 3.33Å; N112-E114 PolarHBondContact O-N 3.33Å; N112-E114 PolarHBondContact OD1-N 3.35Å; N112-S115 PolarHBondContact ND2-OG 2.95Å; N112-S115 PolarHBondContact O-N 3.39Å; N112-S115 WeakPolarHBondContact OD1-CB 3.28Å; N112-S115 PolarHBondContact OD1-N 3.2Å; N112-S115 PolarHBondContact OD1-OG 2.88Å; N112-A116 PolarHBondContact O-N 3.46Å |
| 113 | L | 93.3 | Very high | 95 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | -178.7 | 176.4 | 58 | 0 | 0 | 0 | 111.9 | V83 Y90 S115 A116 L117 | V83-L113 HydrophobicContact CG1-CD1 4.43Å; Y90-L113 HydrophobicContact CD1-CB 4.07Å; Y90-L113 HydrophobicContact CD1-CD1 3.6Å; Y90-L113 HydrophobicContact CD1-CG 4.39Å; Y90-L113 HydrophobicContact CD2-CB 4.08Å; Y90-L113 HydrophobicContact CE1-CB 3.85Å; Y90-L113 HydrophobicContact CE1-CD1 3.66Å; Y90-L113 HydrophobicContact CE1-CD2 4.37Å; Y90-L113 HydrophobicContact CE1-CG 4.15Å; Y90-L113 HydrophobicContact CE2-CB 3.86Å; Y90-L113 HydrophobicContact CG-CB 4.17Å; Y90-L113 HydrophobicContact CG-CD1 4.32Å; L113-S115 PolarHBondContact O-N 3.14Å; L113-S115 VanDerWaalsContact O-N 3.17Å; L113-A116 WeakPolarHBondContact O-CA 3.31Å; L113-A116 WeakPolarHBondContact O-CB 3.25Å; L113-A116 PolarHBondContact O-N 2.84Å; L113-L117 HydrophobicContact CD1-CD1 4.23Å; L113-L117 HydrophobicContact CD1-CD2 3.82Å; L113-L117 HydrophobicContact CD1-CG 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.05Å; L113-L117 WeakPolarHBondContact O-CG 3.17Å; L113-L117 PolarHBondContact O-N 3.48Å |
| 114 | E | 95 | Very high | 95.2 | Very high | 117 Ų | 117 | 65.4 Ų | 65.4 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.2 | -38.3 | -176 | -167.5 | -171.1 | 162.5 | 0 | 0 | 112.5 | N112 L117 K118 | N112-E114 PolarHBondContact O-N 3.33Å; N112-E114 PolarHBondContact OD1-N 3.35Å; E114-L117 PolarHBondContact O-N 3.47Å; E114-K118 WeakPolarHBondContact O-CB 3.43Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.79Å; E114-K118 WeakPolarHBondContact OE1-CE 3.39Å; E114-K118 IonicContact OE1-NZ 3.48Å; E114-K118 PolarHBondContact OE1-NZ 3.09Å |
| 115 | S | 95.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | N112 L113 D119 | N112-S115 PolarHBondContact ND2-OG 2.95Å; N112-S115 PolarHBondContact O-N 3.39Å; N112-S115 WeakPolarHBondContact OD1-CB 3.28Å; N112-S115 PolarHBondContact OD1-N 3.2Å; N112-S115 PolarHBondContact OD1-OG 2.88Å; L113-S115 PolarHBondContact O-N 3.14Å; L113-S115 VanDerWaalsContact O-N 3.17Å; S115-D119 PolarHBondContact O-N 2.75Å |
| 116 | A | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V83 F110 N112 L113 D119 F120 | V83-A116 HydrophobicContact CG1-CB 4.1Å; F110-A116 HydrophobicContact CB-CB 4.07Å; F110-A116 HydrophobicContact CD2-CB 3.77Å; F110-A116 HydrophobicContact CE2-CB 4.47Å; F110-A116 HydrophobicContact CG-CB 3.96Å; N112-A116 PolarHBondContact O-N 3.46Å; L113-A116 WeakPolarHBondContact O-CA 3.31Å; L113-A116 WeakPolarHBondContact O-CB 3.25Å; L113-A116 PolarHBondContact O-N 2.84Å; A116-D119 PolarHBondContact O-N 3.14Å; A116-F120 PolarHBondContact O-N 2.91Å |
| 117 | L | 95.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.2 | -60.8 | -171.9 | 0 | 0 | 0 | 111.3 | Y62 V83 L113 E114 D119 F120 E121 | Y62-L117 HydrophobicContact CD1-CD2 3.77Å; Y62-L117 HydrophobicContact CD2-CD2 3.62Å; Y62-L117 HydrophobicContact CE1-CB 4.29Å; Y62-L117 HydrophobicContact CE1-CD2 3.74Å; Y62-L117 HydrophobicContact CE1-CG 4.44Å; Y62-L117 HydrophobicContact CE2-CD1 4.16Å; Y62-L117 HydrophobicContact CE2-CD2 3.59Å; Y62-L117 HydrophobicContact CE2-CG 4.43Å; Y62-L117 HydrophobicContact CG-CD2 3.71Å; V83-L117 HydrophobicContact CG1-CD2 4.22Å; V83-L117 HydrophobicContact CG2-CD2 4.12Å; L113-L117 HydrophobicContact CD1-CD1 4.23Å; L113-L117 HydrophobicContact CD1-CD2 3.82Å; L113-L117 HydrophobicContact CD1-CG 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.05Å; L113-L117 WeakPolarHBondContact O-CG 3.17Å; L113-L117 PolarHBondContact O-N 3.48Å; E114-L117 PolarHBondContact O-N 3.47Å; L117-D119 VanDerWaalsContact C-N 3.33Å; L117-D119 PolarHBondContact O-N 2.99Å; L117-F120 WeakPolarHBondContact O-CB 3.05Å; L117-F120 PolarHBondContact O-N 2.85Å; L117-E121 WeakPolarHBondContact O-CG 3.44Å; L117-E121 PolarHBondContact O-N 3.35Å |
| 118 | K | 96.1 | Very high | 95.1 | Very high | 123 Ų | 123 | 60 Ų | 60 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 176.5 | -77.5 | 176 | -175.3 | 167.7 | 0 | 112.6 | E114 K122 | E114-K118 WeakPolarHBondContact O-CB 3.43Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.79Å; E114-K118 WeakPolarHBondContact OE1-CE 3.39Å; E114-K118 IonicContact OE1-NZ 3.48Å; E114-K118 PolarHBondContact OE1-NZ 3.09Å; K118-K122 WeakPolarHBondContact O-CB 3.49Å; K118-K122 PolarHBondContact O-N 3.47Å |
| 119 | D | 96.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.193 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.8 | -175.9 | 69.6 | 0 | 0 | 0 | 111.6 | S92 F110 S115 A116 L117 K122 K123 | S92-D119 VanDerWaalsContact CB-OD2 3.24Å; S92-D119 WeakPolarHBondContact CB-OD2 3.37Å; S92-D119 PolarHBondContact OG-OD2 3.44Å; F110-D119 HydrophobicContact CE1-CB 4.06Å; F110-D119 HydrophobicContact CE2-CB 4.19Å; F110-D119 HydrophobicContact CZ-CB 3.48Å; F110-D119 VanDerWaalsContact CZ-CB 3.48Å; S115-D119 PolarHBondContact O-N 2.75Å; A116-D119 PolarHBondContact O-N 3.14Å; L117-D119 VanDerWaalsContact C-N 3.33Å; L117-D119 PolarHBondContact O-N 2.99Å; D119-K122 PolarHBondContact O-N 2.61Å; D119-K123 WeakPolarHBondContact O-CB 3.37Å; D119-K123 PolarHBondContact O-N 3.11Å |
| 120 | F | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.7 | -54.1 | 174.6 | 178.1 | -76.2 | 0 | 0 | 0 | 111.3 | Y62 C64 I81 V83 A116 L117 K122 K123 F124 W132 | Y62-F120 VanDerWaalsContact C-CE2 3.41Å; Y62-F120 HydrophobicContact CD1-CB 4.35Å; Y62-F120 AromaticContact CD1-CD1 3.5Å; Y62-F120 HydrophobicContact CD1-CD1 3.5Å; Y62-F120 VanDerWaalsContact CD1-CD1 3.5Å; Y62-F120 HydrophobicContact CD1-CD2 4.36Å; Y62-F120 AromaticContact CD1-CE1 3.81Å; Y62-F120 HydrophobicContact CD1-CE1 3.81Å; Y62-F120 AromaticContact CD1-CG 3.83Å; Y62-F120 HydrophobicContact CD1-CG 3.83Å; Y62-F120 HydrophobicContact CD1-CZ 4.34Å; Y62-F120 HydrophobicContact CE1-CD1 4.11Å; Y62-F120 WeakPolarHBondContact O-CE2 3.33Å; C64-F120 HydrophobicContact CB-CZ 4.46Å; I81-F120 HydrophobicContact CB-CD2 4.08Å; I81-F120 HydrophobicContact CB-CE2 3.85Å; I81-F120 HydrophobicContact CG2-CD2 3.36Å; I81-F120 HydrophobicContact CG2-CE2 3.69Å; I81-F120 HydrophobicContact CG2-CG 4.06Å; I81-F120 WeakPolarHBondContact O-CE2 3.44Å; V83-F120 HydrophobicContact CG2-CB 3.64Å; V83-F120 HydrophobicContact CG2-CD2 3.74Å; V83-F120 HydrophobicContact CG2-CG 3.94Å; A116-F120 PolarHBondContact O-N 2.91Å; L117-F120 WeakPolarHBondContact O-CB 3.05Å; L117-F120 PolarHBondContact O-N 2.85Å; F120-K122 VanDerWaalsContact C-N 3.33Å; F120-K122 PolarHBondContact O-N 2.77Å; F120-K123 WeakPolarHBondContact O-CB 3.41Å; F120-K123 PolarHBondContact O-N 3.44Å; F120-K123 VanDerWaalsContact O-N 3.11Å; F120-F124 HydrophobicContact CE1-CB 4.4Å; F120-F124 WeakPolarHBondContact O-CB 3.42Å; F120-F124 PolarHBondContact O-N 3.15Å; F120-W132 HydrophobicContact CD1-CD2 4.44Å; F120-W132 HydrophobicContact CD1-CG 4.4Å; F120-W132 HydrophobicContact CE1-CB 4.5Å; F120-W132 AromaticContact CE1-CD2 3.45Å; F120-W132 HydrophobicContact CE1-CD2 3.45Å; F120-W132 VanDerWaalsContact CE1-CD2 3.45Å; F120-W132 AromaticContact CE1-CE2 3.71Å; F120-W132 AromaticContact CE1-CE3 3.64Å; F120-W132 HydrophobicContact CE1-CE3 3.64Å; F120-W132 AromaticContact CE1-CG 3.82Å; F120-W132 HydrophobicContact CE1-CG 3.82Å; F120-W132 HydrophobicContact CE1-CH2 4.3Å; F120-W132 HydrophobicContact CE1-CZ2 4.17Å; F120-W132 HydrophobicContact CE1-CZ3 4.05Å; F120-W132 HydrophobicContact CZ-CD2 4.13Å; F120-W132 HydrophobicContact CZ-CE3 4.06Å; F120-W132 AromaticContact CZ-CH2 4Å; F120-W132 HydrophobicContact CZ-CH2 4Å; F120-W132 HydrophobicContact CZ-CZ2 4.1Å; F120-W132 AromaticContact CZ-CZ3 3.98Å; F120-W132 HydrophobicContact CZ-CZ3 3.98Å |
| 121 | E | 96.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | -175.9 | -68.5 | -178.8 | 178.9 | 0 | 0 | 111.6 | Y62 L117 K123 F124 K125 W132 | Y62-E121 HydrophobicContact CE1-CG 4.06Å; Y62-E121 PolarHBondContact OH-OE1 3.06Å; Y62-E121 VanDerWaalsContact OH-OE1 3.05Å; L117-E121 WeakPolarHBondContact O-CG 3.44Å; L117-E121 PolarHBondContact O-N 3.35Å; E121-K123 VanDerWaalsContact C-N 3.35Å; E121-F124 PolarHBondContact O-N 3.24Å; E121-K125 VanDerWaalsContact O-CB 3.3Å; E121-K125 WeakPolarHBondContact O-CB 3.47Å; E121-K125 PolarHBondContact O-N 2.9Å; E121-W132 HydrophobicContact CG-CB 3.91Å; E121-W132 HydrophobicContact CG-CG 4.4Å |
| 122 | K | 96.8 | Very high | 95.3 | Very high | 157 Ų | 157 | 57.7 Ų | 57.7 | 68% | 0.683 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 173.3 | -179.1 | -179.5 | 179.1 | -178.6 | 0 | 111.1 | K118 D119 F120 D126 | K118-K122 WeakPolarHBondContact O-CB 3.49Å; K118-K122 PolarHBondContact O-N 3.47Å; D119-K122 PolarHBondContact O-N 2.61Å; F120-K122 VanDerWaalsContact C-N 3.33Å; F120-K122 PolarHBondContact O-N 2.77Å; K122-D126 WeakPolarHBondContact O-CB 3.38Å; K122-D126 PolarHBondContact O-N 3.25Å |
| 123 | K | 96.8 | Very high | 95.1 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 178.5 | -166.4 | 74.2 | 66.3 | -160.8 | 0 | 111.3 | Y79 I81 N94 D119 F120 E121 K125 D126 K127 | Y79-K123 HydrophobicContact CE1-CD 4.42Å; Y79-K123 HydrophobicContact CE1-CG 4.1Å; I81-K123 HydrophobicContact CD1-CB 4.04Å; I81-K123 HydrophobicContact CD1-CG 3.7Å; I81-K123 HydrophobicContact CG1-CG 4.4Å; N94-K123 WeakPolarHBondContact OD1-CG 3.07Å; D119-K123 WeakPolarHBondContact O-CB 3.37Å; D119-K123 PolarHBondContact O-N 3.11Å; F120-K123 WeakPolarHBondContact O-CB 3.41Å; F120-K123 PolarHBondContact O-N 3.44Å; F120-K123 VanDerWaalsContact O-N 3.11Å; E121-K123 VanDerWaalsContact C-N 3.35Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 3.22Å; K123-D126 PolarHBondContact O-N 3.49Å; K123-K127 HydrophobicContact CG-CG 4.5Å; K123-K127 WeakPolarHBondContact O-CG 3.47Å; K123-K127 PolarHBondContact O-N 3.35Å |
| 124 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.5 | -52.4 | 176.7 | -179.5 | -96.5 | 0 | 0 | 0 | 110.2 | L66 I81 F120 E121 D126 K127 T128 N130 W132 F138 L147 | L66-F124 HydrophobicContact CD2-CD2 4.32Å; L66-F124 HydrophobicContact CD2-CE2 4.02Å; I81-F124 HydrophobicContact CD1-CB 4.43Å; F120-F124 HydrophobicContact CE1-CB 4.4Å; F120-F124 WeakPolarHBondContact O-CB 3.42Å; F120-F124 PolarHBondContact O-N 3.15Å; E121-F124 PolarHBondContact O-N 3.24Å; F124-D126 PolarHBondContact O-N 2.83Å; F124-K127 PolarHBondContact O-N 3.3Å; F124-K127 VanDerWaalsContact O-N 3.14Å; F124-T128 HydrophobicContact CD2-CG2 4.13Å; F124-T128 HydrophobicContact CE2-CG2 3.93Å; F124-T128 HydrophobicContact CZ-CG2 4.16Å; F124-T128 WeakPolarHBondContact O-CB 3.32Å; F124-T128 WeakPolarHBondContact O-CG2 3.34Å; F124-T128 PolarHBondContact O-N 2.95Å; F124-T128 PolarHBondContact O-OG1 2.87Å; F124-N130 WeakPolarHBondContact CD1-O 3.4Å; F124-N130 HydrophobicContact CE1-CB 3.9Å; F124-N130 HydrophobicContact CZ-CB 4.47Å; F124-W132 HydrophobicContact CD1-CB 4.07Å; F124-W132 HydrophobicContact CD1-CE3 4.14Å; F124-W132 AromaticContact CD2-CE3 3.67Å; F124-W132 HydrophobicContact CD2-CE3 3.67Å; F124-W132 AromaticContact CD2-CZ3 3.99Å; F124-W132 HydrophobicContact CD2-CZ3 3.99Å; F124-W132 HydrophobicContact CE1-CB 4.49Å; F124-W132 HydrophobicContact CE1-CE3 4.1Å; F124-W132 AromaticContact CE2-CE3 3.63Å; F124-W132 HydrophobicContact CE2-CE3 3.63Å; F124-W132 AromaticContact CE2-CZ3 3.75Å; F124-W132 HydrophobicContact CE2-CZ3 3.75Å; F124-W132 AromaticContact CG-CE3 3.93Å; F124-W132 HydrophobicContact CG-CE3 3.93Å; F124-W132 AromaticContact CZ-CE3 3.84Å; F124-W132 HydrophobicContact CZ-CE3 3.84Å; F124-W132 HydrophobicContact CZ-CZ3 4.26Å; F124-F138 HydrophobicContact CZ-CD2 4.14Å; F124-F138 AromaticContact CZ-CE2 3.98Å; F124-F138 HydrophobicContact CZ-CE2 3.98Å; F124-L147 HydrophobicContact CE2-CD1 4.38Å |
| 125 | K | 96.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 178.7 | -172.7 | 172.7 | -175.2 | 160.1 | 0 | 113.6 | E121 K123 K127 K129 N130 N131 | E121-K125 VanDerWaalsContact O-CB 3.3Å; E121-K125 WeakPolarHBondContact O-CB 3.47Å; E121-K125 PolarHBondContact O-N 2.9Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 3.22Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 2.67Å; K125-K129 WeakPolarHBondContact O-CA 3.47Å; K125-K129 PolarHBondContact O-N 3.02Å; K125-N130 VanDerWaalsContact CA-O 3.26Å; K125-N130 WeakPolarHBondContact CA-O 3.2Å; K125-N130 WeakPolarHBondContact CB-O 3.15Å; K125-N131 WeakPolarHBondContact CD-OD1 3.47Å; K125-N131 WeakPolarHBondContact CE-OD1 2.91Å; K125-N131 PolarHBondContact NZ-OD1 2.78Å |
| 126 | D | 96.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 174.5 | 175.2 | 52.9 | 0 | 0 | 0 | 111.8 | K122 K123 F124 K144 | K122-D126 WeakPolarHBondContact O-CB 3.38Å; K122-D126 PolarHBondContact O-N 3.25Å; K123-D126 PolarHBondContact O-N 3.49Å; F124-D126 PolarHBondContact O-N 2.83Å; D126-K144 PolarHBondContact O-NZ 3.2Å |
| 127 | K | 94.6 | Very high | 93.2 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.4 | -31.7 | -176.5 | -61.9 | -46.5 | 177.3 | -147.9 | 0 | 114 | L66 K123 F124 K125 K144 Y145 | L66-K127 HydrophobicContact CD1-CB 3.8Å; L66-K127 HydrophobicContact CD1-CG 4.49Å; K123-K127 HydrophobicContact CG-CG 4.5Å; K123-K127 WeakPolarHBondContact O-CG 3.47Å; K123-K127 PolarHBondContact O-N 3.35Å; F124-K127 PolarHBondContact O-N 3.3Å; F124-K127 VanDerWaalsContact O-N 3.14Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 2.67Å; K127-K144 WeakPolarHBondContact O-CB 3.28Å; K127-K144 WeakPolarHBondContact O-CD 3.33Å; K127-Y145 HydrophobicContact CB-CD2 4.06Å; K127-Y145 HydrophobicContact CD-CD2 4.4Å; K127-Y145 HydrophobicContact CD-CE2 4.29Å; K127-Y145 PolarHBondContact O-N 2.89Å |
| 128 | T | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -113.7 | -18.6 | -171.9 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | L66 F124 N130 F138 H141 | L66-T128 HydrophobicContact CD1-CG2 3.74Å; L66-T128 HydrophobicContact CD2-CG2 3.84Å; L66-T128 HydrophobicContact CG-CG2 4.43Å; F124-T128 HydrophobicContact CD2-CG2 4.13Å; F124-T128 HydrophobicContact CE2-CG2 3.93Å; F124-T128 HydrophobicContact CZ-CG2 4.16Å; F124-T128 WeakPolarHBondContact O-CB 3.32Å; F124-T128 WeakPolarHBondContact O-CG2 3.34Å; F124-T128 PolarHBondContact O-N 2.95Å; F124-T128 PolarHBondContact O-OG1 2.87Å; T128-N130 PolarHBondContact O-N 2.98Å; T128-N130 PolarHBondContact O-ND2 3.06Å; T128-N130 PolarHBondContact OG1-N 3.45Å; T128-F138 HydrophobicContact CG2-CE2 3.9Å; T128-F138 HydrophobicContact CG2-CZ 4.15Å; T128-H141 PolarHBondContact O-CD2 2.77Å |
| 129 | K | 95.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 62 | 8 | -164.5 | -62.9 | 179.5 | 176.6 | -176.3 | 0 | 115.3 | K125 H141 K144 | K125-K129 WeakPolarHBondContact O-CA 3.47Å; K125-K129 PolarHBondContact O-N 3.02Å; K129-H141 HydrophobicContact CD-CB 4.16Å; K129-K144 HydrophobicContact CD-CG 4Å; K129-K144 HydrophobicContact CG-CD 4.18Å; K129-K144 HydrophobicContact CG-CG 3.96Å |
| 130 | N | 94.7 | Very high | 91.9 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.08 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -101.3 | 154.9 | 176.8 | -70.5 | -94.9 | 0 | 0 | 0 | 110.5 | F124 K125 T128 F138 V139 | F124-N130 WeakPolarHBondContact CD1-O 3.4Å; F124-N130 HydrophobicContact CE1-CB 3.9Å; F124-N130 HydrophobicContact CZ-CB 4.47Å; K125-N130 VanDerWaalsContact CA-O 3.26Å; K125-N130 WeakPolarHBondContact CA-O 3.2Å; K125-N130 WeakPolarHBondContact CB-O 3.15Å; T128-N130 PolarHBondContact O-N 2.98Å; T128-N130 PolarHBondContact O-ND2 3.06Å; T128-N130 PolarHBondContact OG1-N 3.45Å; N130-F138 HydrophobicContact CB-CD2 4.05Å; N130-F138 HydrophobicContact CB-CE2 4.08Å; N130-V139 PolarHBondContact ND2-O 3.36Å; N130-V139 PolarHBondContact OD1-N 2.73Å |
| 131 | N | 94.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | trans | -85.7 | 139.3 | 170.2 | -59.9 | -53.4 | 0 | 0 | 0 | 109.2 | K125 S133 D134 R135 | K125-N131 WeakPolarHBondContact CD-OD1 3.47Å; K125-N131 WeakPolarHBondContact CE-OD1 2.91Å; K125-N131 PolarHBondContact NZ-OD1 2.78Å; N131-S133 VanDerWaalsContact C-N 3.29Å; N131-S133 PolarHBondContact O-N 3.35Å; N131-D134 CarbonylContact O-C 3.59Å; N131-D134 PolarHBondContact O-N 2.63Å; N131-D134 VanDerWaalsContact O-N 3.16Å; N131-R135 PolarHBondContact O-N 2.84Å | ||
| 132 | W | 92 | Very high | 90.7 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 5% | 0.045 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -60.7 | -39.5 | 179.6 | 179.3 | -113.7 | 0 | 0 | 0 | 112.5 | D61 Y62 C64 F120 E121 F124 D134 R135 | D61-W132 WeakPolarHBondContact O-CZ2 3.31Å; Y62-W132 AromaticContact CD1-CD1 4Å; Y62-W132 AromaticContact CD1-NE1 3.74Å; Y62-W132 AromaticContact CE1-CD1 3.52Å; Y62-W132 AromaticContact CE1-NE1 3.64Å; C64-W132 HydrophobicContact CB-CH2 4.03Å; C64-W132 HydrophobicContact CB-CZ3 3.75Å; F120-W132 HydrophobicContact CD1-CD2 4.44Å; F120-W132 HydrophobicContact CD1-CG 4.4Å; F120-W132 HydrophobicContact CE1-CB 4.5Å; F120-W132 AromaticContact CE1-CD2 3.45Å; F120-W132 HydrophobicContact CE1-CD2 3.45Å; F120-W132 VanDerWaalsContact CE1-CD2 3.45Å; F120-W132 AromaticContact CE1-CE2 3.71Å; F120-W132 AromaticContact CE1-CE3 3.64Å; F120-W132 HydrophobicContact CE1-CE3 3.64Å; F120-W132 AromaticContact CE1-CG 3.82Å; F120-W132 HydrophobicContact CE1-CG 3.82Å; F120-W132 HydrophobicContact CE1-CH2 4.3Å; F120-W132 HydrophobicContact CE1-CZ2 4.17Å; F120-W132 HydrophobicContact CE1-CZ3 4.05Å; F120-W132 HydrophobicContact CZ-CD2 4.13Å; F120-W132 HydrophobicContact CZ-CE3 4.06Å; F120-W132 AromaticContact CZ-CH2 4Å; F120-W132 HydrophobicContact CZ-CH2 4Å; F120-W132 HydrophobicContact CZ-CZ2 4.1Å; F120-W132 AromaticContact CZ-CZ3 3.98Å; F120-W132 HydrophobicContact CZ-CZ3 3.98Å; E121-W132 HydrophobicContact CG-CB 3.91Å; E121-W132 HydrophobicContact CG-CG 4.4Å; F124-W132 HydrophobicContact CD1-CB 4.07Å; F124-W132 HydrophobicContact CD1-CE3 4.14Å; F124-W132 AromaticContact CD2-CE3 3.67Å; F124-W132 HydrophobicContact CD2-CE3 3.67Å; F124-W132 AromaticContact CD2-CZ3 3.99Å; F124-W132 HydrophobicContact CD2-CZ3 3.99Å; F124-W132 HydrophobicContact CE1-CB 4.49Å; F124-W132 HydrophobicContact CE1-CE3 4.1Å; F124-W132 AromaticContact CE2-CE3 3.63Å; F124-W132 HydrophobicContact CE2-CE3 3.63Å; F124-W132 AromaticContact CE2-CZ3 3.75Å; F124-W132 HydrophobicContact CE2-CZ3 3.75Å; F124-W132 AromaticContact CG-CE3 3.93Å; F124-W132 HydrophobicContact CG-CE3 3.93Å; F124-W132 AromaticContact CZ-CE3 3.84Å; F124-W132 HydrophobicContact CZ-CE3 3.84Å; F124-W132 HydrophobicContact CZ-CZ3 4.26Å; W132-D134 PolarHBondContact O-N 3.33Å; W132-R135 HydrophobicContact CE3-CB 4.39Å; W132-R135 VanDerWaalsContact CZ2-CD 3.49Å; W132-R135 VanDerWaalsContact O-CB 3.25Å; W132-R135 WeakPolarHBondContact O-CB 3.12Å; W132-R135 VanDerWaalsContact O-CD 3.3Å; W132-R135 WeakPolarHBondContact O-CD 3.45Å; W132-R135 VanDerWaalsContact O-CG 3.23Å; W132-R135 WeakPolarHBondContact O-CG 3.42Å; W132-R135 PolarHBondContact O-N 3.32Å; W132-R135 VanDerWaalsContact O-N 3.17Å; W132-R135 PolarHBondContact O-NH1 3.12Å |
| 133 | S | 89.7 | Confident | 90.1 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 67% | 0.671 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -60.4 | -26 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | N131 | N131-S133 VanDerWaalsContact C-N 3.29Å; N131-S133 PolarHBondContact O-N 3.35Å |
| 134 | D | 87.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 69 Ų | 69 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -109.1 | 23.5 | -179.2 | -165 | 27.6 | 0 | 0 | 0 | 112.2 | N131 W132 M136 N137 | N131-D134 CarbonylContact O-C 3.59Å; N131-D134 PolarHBondContact O-N 2.63Å; N131-D134 VanDerWaalsContact O-N 3.16Å; W132-D134 PolarHBondContact O-N 3.33Å; D134-M136 PolarHBondContact O-N 2.73Å; D134-M136 VanDerWaalsContact O-N 3.09Å; D134-N137 PolarHBondContact O-N 3.29Å; D134-N137 PolarHBondContact OD1-ND2 3.07Å |
| 135 | R | 85.8 | Confident | 89.6 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -59.8 | -21 | -177.2 | 65.5 | -165.9 | 169.4 | -66.9 | -5.4 | 114.5 | D61 N131 W132 N137 F138 L147 | D61-R135 IonicContact OD1-NH2 2.97Å; D61-R135 IonicContact OD2-CZ 3.72Å; D61-R135 IonicContact OD2-NE 3.93Å; D61-R135 PolarHBondContact OD2-NE 3.47Å; D61-R135 IonicContact OD2-NH2 2.64Å; D61-R135 PolarHBondContact OD2-NH2 2.88Å; N131-R135 PolarHBondContact O-N 2.84Å; W132-R135 HydrophobicContact CE3-CB 4.39Å; W132-R135 VanDerWaalsContact CZ2-CD 3.49Å; W132-R135 VanDerWaalsContact O-CB 3.25Å; W132-R135 WeakPolarHBondContact O-CB 3.12Å; W132-R135 VanDerWaalsContact O-CD 3.3Å; W132-R135 WeakPolarHBondContact O-CD 3.45Å; W132-R135 VanDerWaalsContact O-CG 3.23Å; W132-R135 WeakPolarHBondContact O-CG 3.42Å; W132-R135 PolarHBondContact O-N 3.32Å; W132-R135 VanDerWaalsContact O-N 3.17Å; W132-R135 PolarHBondContact O-NH1 3.12Å; R135-N137 PolarHBondContact O-N 2.97Å; R135-F138 WeakPolarHBondContact O-CB 3.41Å; R135-F138 PolarHBondContact O-N 2.69Å; R135-L147 HydrophobicContact CB-CD2 4.38Å |
| 136 | M | 80.8 | Confident | 89.2 | Confident | 152 Ų | 152 | 66.2 Ų | 66.2 | 75% | 0.749 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -70 | -23.1 | 175.6 | -60.9 | -57.9 | -68 | 0 | 0 | 112.3 | D134 | D134-M136 PolarHBondContact O-N 2.73Å; D134-M136 VanDerWaalsContact O-N 3.09Å |
| 137 | N | 84.9 | Confident | 88.8 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -105.5 | 36.2 | 175.7 | -60.1 | -61 | 0 | 0 | 0 | 111.2 | D134 R135 V139 | D134-N137 PolarHBondContact O-N 3.29Å; D134-N137 PolarHBondContact OD1-ND2 3.07Å; R135-N137 PolarHBondContact O-N 2.97Å; N137-V139 PolarHBondContact O-N 3.49Å |
| 138 | F | 87.4 | Confident | 88.3 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | trans | -56.7 | 130 | -175 | -171.7 | -83.7 | 0 | 0 | 0 | 112.5 | F124 T128 N130 R135 T146 L147 | F124-F138 HydrophobicContact CZ-CD2 4.14Å; F124-F138 AromaticContact CZ-CE2 3.98Å; F124-F138 HydrophobicContact CZ-CE2 3.98Å; T128-F138 HydrophobicContact CG2-CE2 3.9Å; T128-F138 HydrophobicContact CG2-CZ 4.15Å; N130-F138 HydrophobicContact CB-CD2 4.05Å; N130-F138 HydrophobicContact CB-CE2 4.08Å; R135-F138 WeakPolarHBondContact O-CB 3.41Å; R135-F138 PolarHBondContact O-N 2.69Å; F138-T146 HydrophobicContact CE1-CG2 3.94Å; F138-L147 HydrophobicContact CD2-CB 3.79Å; F138-L147 HydrophobicContact CD2-CD2 4.33Å; F138-L147 HydrophobicContact CE2-CB 3.69Å; F138-L147 HydrophobicContact CG-CB 4.29Å; F138-L147 HydrophobicContact CZ-CB 4.11Å | ||
| 139 | V | 86.8 | Confident | 87.2 | Confident | 83 Ų | 83 | 64 Ų | 64 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | trans | -114.2 | 121.4 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | N130 N137 H141 | N130-V139 PolarHBondContact ND2-O 3.36Å; N130-V139 PolarHBondContact OD1-N 2.73Å; N137-V139 PolarHBondContact O-N 3.49Å; V139-H141 PolarHBondContact O-CD2 3.47Å | ||
| 140 | S | 86.4 | Confident | 85.7 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | trans | -69.1 | 132.3 | 173.8 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | T146 | S140-T146 PolarHBondContact OG-OG1 2.91Š| ||
| 141 | H | 86.1 | Confident | 83.8 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.296 | 35% | 0.349 | S | S | . | . | trans | -115.5 | 141.2 | 177.7 | -67.2 | -76 | 0 | 0 | 0 | 111.9 | T128 K129 V139 G143 K144 | T128-H141 PolarHBondContact O-CD2 2.77Å; K129-H141 HydrophobicContact CD-CB 4.16Å; V139-H141 PolarHBondContact O-CD2 3.47Å; H141-G143 PolarHBondContact O-N 3.24Å; H141-K144 HydrophobicContact CB-CB 4.13Å; H141-K144 HydrophobicContact CB-CG 4.23Å; H141-K144 PolarHBondContact O-N 3.22Å; H141-K144 VanDerWaalsContact O-N 3.08Å | ||
| 142 | P | 82.5 | Confident | 81.5 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 78% | 0.779 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 132.3 | 175.5 | -27.8 | 35 | 0 | 0 | 0 | 112.5 | K144 | P142-K144 PolarHBondContact O-N 2.84Š|
| 143 | G | 84.1 | Confident | 79.2 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 11 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q68 H141 | Q68-G143 PolarHBondContact NE2-O 3.01Å; H141-G143 PolarHBondContact O-N 3.24Å |
| 144 | K | 90.3 | Very high | 76.8 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -113.1 | 167.5 | 173.4 | -67.9 | -68.9 | -176.5 | 174.7 | 0 | 111.7 | Q68 D126 K127 K129 H141 P142 | Q68-K144 VanDerWaalsContact NE2-N 3.19Å; Q68-K144 PolarHBondContact NE2-O 3.06Å; D126-K144 PolarHBondContact O-NZ 3.2Å; K127-K144 WeakPolarHBondContact O-CB 3.28Å; K127-K144 WeakPolarHBondContact O-CD 3.33Å; K129-K144 HydrophobicContact CD-CG 4Å; K129-K144 HydrophobicContact CG-CD 4.18Å; K129-K144 HydrophobicContact CG-CG 3.96Å; H141-K144 HydrophobicContact CB-CB 4.13Å; H141-K144 HydrophobicContact CB-CG 4.23Å; H141-K144 PolarHBondContact O-N 3.22Å; H141-K144 VanDerWaalsContact O-N 3.08Å; P142-K144 PolarHBondContact O-N 2.84Å |
| 145 | Y | 91.2 | Very high | 74.2 | Confident | 30 Ų | 30 | 58 Ų | 58 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | trans | -78 | 149.2 | 177 | -70.1 | -104.9 | 0 | 0 | 0 | 110.6 | L66 N67 Q68 K77 K127 | L66-Y145 HydrophobicContact CB-CD1 3.91Å; L66-Y145 HydrophobicContact CB-CG 4.19Å; N67-Y145 WeakPolarHBondContact O-CA 3.49Å; Q68-Y145 HydrophobicContact CB-CD1 3.71Å; Q68-Y145 HydrophobicContact CB-CD2 4.47Å; Q68-Y145 HydrophobicContact CB-CE1 3.96Å; Q68-Y145 HydrophobicContact CB-CG 3.99Å; K77-Y145 HydrophobicContact CB-CE1 4.19Å; K127-Y145 HydrophobicContact CB-CD2 4.06Å; K127-Y145 HydrophobicContact CD-CD2 4.4Å; K127-Y145 HydrophobicContact CD-CE2 4.29Å; K127-Y145 PolarHBondContact O-N 2.89Å | ||
| 146 | T | 89.3 | Confident | 71.7 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142.2 | 171.3 | -62 | 0 | 0 | 0 | 0 | 109.5 | L66 N67 F138 S140 | L66-T146 CarbonylContact C-O 3.58Å; L66-T146 VanDerWaalsContact CA-O 3.32Å; L66-T146 WeakPolarHBondContact CA-O 3.31Å; N67-T146 PolarHBondContact N-O 3.47Å; N67-T146 PolarHBondContact O-N 3.4Å; F138-T146 HydrophobicContact CE1-CG2 3.94Å; S140-T146 PolarHBondContact OG-OG1 2.91Å |
| 147 | L | 87.1 | Confident | 69.2 | Low | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.9 | 173.5 | 179.5 | 61.8 | 0 | 0 | 0 | 109.6 | C64 L66 F124 R135 F138 | C64-L147 HydrophobicContact CB-CD1 3.69Å; L66-L147 HydrophobicContact CD2-CB 4.23Å; L66-L147 HydrophobicContact CD2-CD1 3.82Å; F124-L147 HydrophobicContact CE2-CD1 4.38Å; R135-L147 HydrophobicContact CB-CD2 4.38Å; F138-L147 HydrophobicContact CD2-CB 3.79Å; F138-L147 HydrophobicContact CD2-CD2 4.33Å; F138-L147 HydrophobicContact CE2-CB 3.69Å; F138-L147 HydrophobicContact CG-CB 4.29Å; F138-L147 HydrophobicContact CZ-CB 4.11Å |
| 148 | I | 83 | Confident | 66.5 | Low | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.7 | 167.5 | -55.3 | -57.3 | 0 | 0 | 0 | 106.7 | M65 N67 V150 T249 P252 | M65-I148 HydrophobicContact CB-CB 4.49Å; M65-I148 HydrophobicContact CG-CB 4.42Å; M65-I148 PolarHBondContact O-N 3.46Å; N67-I148 HydrophobicContact CB-CD1 3.77Å; N67-I148 HydrophobicContact CB-CG1 3.78Å; I148-V150 HydrophobicContact CB-CG2 4.22Å; I148-V150 HydrophobicContact CG2-CG2 3.82Å; I148-V150 WeakPolarHBondContact O-CG2 3.36Å; I148-V150 PolarHBondContact O-N 2.95Å; I148-T249 WeakPolarHBondContact CD1-O 3.31Å; I148-P252 HydrophobicContact CD1-CG 4.19Å; I148-P252 HydrophobicContact CG1-CG 4.37Å |
| 149 | E | 70.9 | Confident | 63.5 | Low | 57 Ų | 57 | 64 Ų | 64 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 116.4 | 173.5 | -78.2 | 171.8 | -144.6 | 0 | 0 | 109 | S213 A215 K219 | E149-S213 VanDerWaalsContact CB-OG 3.27Å; E149-S213 WeakPolarHBondContact CB-OG 3.33Å; E149-S213 WeakPolarHBondContact O-CB 3.46Å; E149-S213 PolarHBondContact O-OG 3.16Å; E149-A215 VanDerWaalsContact OE2-CB 3.25Å; E149-A215 WeakPolarHBondContact OE2-CB 3.49Å; E149-K219 IonicContact OE1-NZ 3.42Å; E149-K219 PolarHBondContact OE1-NZ 3.14Å; E149-K219 IonicContact OE2-NZ 3.05Å |
| 150 | V | 64.3 | Low | 60.8 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -121.9 | 107 | -169.4 | 168.8 | 0 | 0 | 0 | 0 | 105.4 | M65 I148 K211 | M65-V150 HydrophobicContact CB-CG2 4.11Å; I148-V150 HydrophobicContact CB-CG2 4.22Å; I148-V150 HydrophobicContact CG2-CG2 3.82Å; I148-V150 WeakPolarHBondContact O-CG2 3.36Å; I148-V150 PolarHBondContact O-N 2.95Å; V150-K211 WeakPolarHBondContact CA-O 3.48Å; V150-K211 HydrophobicContact CB-CB 4.25Å; V150-K211 HydrophobicContact CB-CD 4.49Å; V150-K211 HydrophobicContact CG1-CB 3.47Å; V150-K211 VanDerWaalsContact CG1-CB 3.47Å; V150-K211 HydrophobicContact CG1-CD 3.07Å; V150-K211 HydrophobicContact CG1-CG 3.65Å |
| 151 | D | 54.9 | Low | 58.2 | Low | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 154.2 | 172.2 | -70.8 | -30.9 | 0 | 0 | 0 | 109.4 | G210 K211 S213 | D151-G210 CarbonylContact C-O 3.47Å; D151-K211 PolarHBondContact N-O 3.45Å; D151-K211 WeakPolarHBondContact O-CA 3.13Å; D151-K211 WeakPolarHBondContact O-CB 3.35Å; D151-K211 WeakPolarHBondContact O-CG 3.44Å; D151-S213 WeakPolarHBondContact OD2-CA 3.29Å; D151-S213 WeakPolarHBondContact OD2-CB 3.47Å |
| 152 | G | 47 | Very low | 55.5 | Low | 25 Ų | 25 | 73 Ų | 73 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60 | 139.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q154 G210 | G152-Q154 PolarHBondContact O-N 3.07Å; G152-G210 VanDerWaalsContact O-O 3.07Å |
| 153 | E | 41.8 | Very low | 53.1 | Low | 40 Ų | 40 | 74.3 Ų | 74.3 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 123.1 | -179 | -139.3 | 167.4 | -124.2 | 0 | 0 | 110.7 | D155 K211 | E153-D155 HydrophobicContact CG-CB 4.49Å; E153-K211 HydrophobicContact CG-CG 4.39Å; E153-K211 WeakPolarHBondContact OE1-CE 3.49Å; E153-K211 IonicContact OE1-NZ 3.09Å; E153-K211 PolarHBondContact OE1-NZ 3.22Å; E153-K211 IonicContact OE2-NZ 3.32Å |
| 154 | Q | 40.3 | Very low | 50.7 | Low | 57 Ų | 57 | 78.5 Ų | 78.5 | 27% | 0.266 | 43% | 0.431 | S | S | . | . | trans | -100.3 | 72.1 | 153.7 | -70.6 | -176.3 | 0.3 | 0 | 0 | 108.1 | G152 A156 | G152-Q154 PolarHBondContact O-N 3.07Å; Q154-A156 VanDerWaalsContact C-N 3.3Å; Q154-A156 PolarHBondContact O-N 3.38Å | ||
| 155 | D | 34.3 | Very low | 48.2 | Very low | 62 Ų | 62 | 80.9 Ų | 80.9 | 33% | 0.332 | 46% | 0.462 | S | S | . | . | trans | -70.4 | 99.5 | 157.7 | -87.8 | -27.8 | 0 | 0 | 0 | 106.8 | K45 E153 E157 | K45-D155 IonicContact NZ-OD2 2.89Å; E153-D155 HydrophobicContact CG-CB 4.49Å; D155-E157 PolarHBondContact O-N 2.88Å | ||
| 156 | A | 32.4 | Very low | 45.8 | Very low | 50 Ų | 50 | 86.7 Ų | 86.7 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | trans | -64.4 | 66.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q154 V158 | Q154-A156 VanDerWaalsContact C-N 3.3Å; Q154-A156 PolarHBondContact O-N 3.38Å; A156-V158 PolarHBondContact O-N 3.1Å | ||
| 157 | E | 27.8 | Very low | 43.8 | Very low | 139 Ų | 139 | 91.8 Ų | 91.8 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | trans | -60.9 | 120.8 | 151.9 | -87.1 | 178.7 | 144 | 0 | 0 | 105.4 | K45 D155 K159 | K45-E157 IonicContact NZ-OE2 3.39Å; D155-E157 PolarHBondContact O-N 2.88Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 3.23Å | ||
| 158 | V | 27.9 | Very low | 42.2 | Very low | 130 Ų | 130 | 95.7 Ų | 95.7 | 79% | 0.788 | 55% | 0.548 | S | S | * | . | trans | -46.5 | 105.9 | 163.8 | 178.6 | 0 | 0 | 0 | 0 | 105.7 | A156 V160 | A156-V158 PolarHBondContact O-N 3.1Å; V158-V160 VanDerWaalsContact C-N 3.3Å; V158-V160 PolarHBondContact O-N 2.94Å | ||
| 159 | K | 25.6 | Very low | 41.5 | Very low | 167 Ų | 167 | 98.6 Ų | 98.6 | 73% | 0.726 | 56% | 0.56 | S | S | * | * | trans | -60.4 | 102.1 | 173.7 | -73.7 | -174.8 | 176.7 | -177.6 | 0 | 105.7 | E157 D161 | E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 3.23Å; K159-D161 PolarHBondContact O-N 2.84Å | ||
| 160 | V | 29.6 | Very low | 42 | Very low | 127 Ų | 127 | 101.2 Ų | 101.2 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | trans | -64.1 | 118.2 | 162.9 | -165.1 | 0 | 0 | 0 | 0 | 104.4 | V158 T162 | V158-V160 VanDerWaalsContact C-N 3.3Å; V158-V160 PolarHBondContact O-N 2.94Å; V160-T162 PolarHBondContact O-N 3.48Å | ||
| 161 | D | 31.7 | Very low | 43 | Very low | 154 Ų | 154 | 103 Ų | 103 | 82% | 0.824 | 59% | 0.586 | S | S | * | * | trans | -42 | 102.5 | -172.5 | -72.7 | -50.3 | 0 | 0 | 0 | 112.1 | K159 | K159-D161 PolarHBondContact O-N 2.84Š| ||
| 162 | T | 29 | Very low | 44.6 | Very low | 124 Ų | 124 | 105.2 Ų | 105.2 | 76% | 0.761 | 60% | 0.598 | S | S | * | * | trans | -101.6 | 112 | 155.2 | 30.5 | 0 | 0 | 0 | 0 | 105.6 | V160 D164 | V160-T162 PolarHBondContact O-N 3.48Å; T162-D164 VanDerWaalsContact C-N 3.31Å; T162-D164 PolarHBondContact O-N 3.45Å | ||
| 163 | V | 33.8 | Very low | 46.7 | Very low | 147 Ų | 147 | 109 Ų | 109 | 89% | 0.891 | 62% | 0.618 | S | S | * | * | trans | -60.2 | 87.1 | -180 | -93.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 164 | D | 32 | Very low | 49.1 | Very low | 150 Ų | 150 | 108.5 Ų | 108.5 | 80% | 0.802 | 62% | 0.618 | S | S | * | * | trans | -123.6 | 127.4 | 151.9 | -86.6 | -43.7 | 0 | 0 | 0 | 107.9 | T162 K166 | T162-D164 VanDerWaalsContact C-N 3.31Å; T162-D164 PolarHBondContact O-N 3.45Å; D164-K166 PolarHBondContact O-N 2.72Å | ||
| 165 | A | 37.5 | Very low | 51.7 | Low | 110 Ų | 110 | 110.9 Ų | 110.9 | 91% | 0.909 | 64% | 0.637 | S | S | * | * | trans | -57.1 | 84.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 166 | K | 42.6 | Very low | 54.6 | Low | 152 Ų | 152 | 109 Ų | 109 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | trans | -79.9 | 127.7 | 152.7 | -87.2 | -169.2 | 172.6 | -162.2 | 0 | 107.8 | D164 S168 | D164-K166 PolarHBondContact O-N 2.72Å; K166-S168 PolarHBondContact O-N 3.15Å; K166-S168 VanDerWaalsContact O-N 3.1Å | ||
| 167 | V | 46.8 | Very low | 57.7 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | trans | -48.6 | 118.8 | 166.5 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | K169 | V167-K169 PolarHBondContact O-N 2.87Š| ||
| 168 | S | 52.8 | Low | 60.9 | Low | 103 Ų | 103 | 104.8 Ų | 104.8 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | trans | -68 | 100.3 | -179.8 | 67 | 0 | 0 | 0 | 0 | 108.5 | K166 | K166-S168 PolarHBondContact O-N 3.15Å; K166-S168 VanDerWaalsContact O-N 3.1Å | ||
| 169 | K | 68.7 | Low | 64.2 | Low | 66 Ų | 66 | 100.4 Ų | 100.4 | 29% | 0.287 | 59% | 0.585 | S | S | . | * | trans | -62.8 | 136.8 | 172.7 | -59.8 | -173.1 | -174.9 | -170.6 | 0 | 108.6 | V167 V171 Q296 D297 M299 V303 | V167-K169 PolarHBondContact O-N 2.87Å; K169-V171 PolarHBondContact O-N 3.45Å; K169-Q296 PolarHBondContact NZ-O 3.04Å; K169-D297 VanDerWaalsContact NZ-C 3.28Å; K169-D297 PolarHBondContact NZ-O 2.8Å; K169-M299 WeakPolarHBondContact CD-O 3.44Å; K169-M299 WeakPolarHBondContact CE-O 3.29Å; K169-M299 PolarHBondContact NZ-O 3.47Å; K169-V303 HydrophobicContact CB-CG1 4.4Å; K169-V303 HydrophobicContact CB-CG2 4.09Å; K169-V303 HydrophobicContact CD-CG1 3.81Å | ||
| 170 | N | 80.8 | Confident | 67.7 | Low | 112 Ų | 112 | 92.5 Ų | 92.5 | 60% | 0.599 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75 | 108.2 | 176.6 | -76.4 | -30.7 | 0 | 0 | 0 | 109.1 | E301 T302 V303 | N170-E301 PolarHBondContact N-O 3.31Å; N170-T302 WeakPolarHBondContact O-CA 3.36Å; N170-V303 PolarHBondContact O-N 3.32Å |
| 171 | V | 85.2 | Confident | 70.9 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.3 | 177.6 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | K169 V303 | K169-V171 PolarHBondContact O-N 3.45Å; V171-V303 WeakPolarHBondContact CA-O 3.37Å; V171-V303 HydrophobicContact CB-CG2 4.2Å; V171-V303 HydrophobicContact CG1-CG2 4.4Å; V171-V303 HydrophobicContact CG2-CG2 3.73Å |
| 172 | L | 88.5 | Confident | 74 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.3 | 175 | -67.1 | 174 | 0 | 0 | 0 | 111.2 | T302 V303 H305 | L172-T302 HydrophobicContact CD1-CG2 3.89Å; L172-T302 HydrophobicContact CD2-CG2 3.72Å; L172-T302 HydrophobicContact CG-CG2 3.58Å; L172-V303 PolarHBondContact N-O 3.41Å; L172-H305 WeakPolarHBondContact O-CB 3.34Å |
| 173 | P | 90.9 | Very high | 77.2 | Confident | 106 Ų | 106 | 79.7 Ų | 79.7 | 69% | 0.688 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 146.5 | 173 | 27.6 | -34 | 0 | 0 | 0 | 110.7 | T175 | P173-T175 PolarHBondContact O-N 3.27Š|
| 174 | C | 92.9 | Very high | 80.2 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -63 | 134.7 | 178.5 | -170 | 0 | 0 | 0 | 0 | 111 | H305 D308 | C174-H305 HydrophobicContact CB-CB 4.03Å; C174-D308 WeakPolarHBondContact CA-OD2 3.35Å; C174-D308 PolarHBondContact SG-OD1 3.18Å |
| 175 | T | 94.8 | Very high | 83.3 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 66% | 0.663 | 42% | 0.415 | S | S | * | . | trans | -85.1 | -17.1 | -179.3 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | P173 D308 | P173-T175 PolarHBondContact O-N 3.27Å; T175-D308 PolarHBondContact N-OD1 2.81Å; T175-D308 PolarHBondContact N-OD2 3.43Å; T175-D308 VanDerWaalsContact OG1-CG 3.3Å; T175-D308 PolarHBondContact OG1-OD1 3.28Å; T175-D308 PolarHBondContact OG1-OD2 2.98Å | ||
| 176 | L | 95.6 | Very high | 86 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.12 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -80.9 | 151.8 | -175.1 | -56.8 | 171.7 | 0 | 0 | 0 | 112.3 | T180 Q181 I184 I307 D308 Y311 | L176-T180 HydrophobicContact CB-CG2 4.34Å; L176-T180 HydrophobicContact CD1-CG2 4.22Å; L176-T180 HydrophobicContact CD2-CG2 4.23Å; L176-T180 HydrophobicContact CG-CG2 4.48Å; L176-Q181 HydrophobicContact CB-CG 3.81Å; L176-Q181 PolarHBondContact O-NE2 2.92Å; L176-I184 HydrophobicContact CD1-CG1 4.43Å; L176-I307 HydrophobicContact CD1-CG2 3.9Å; L176-D308 WeakPolarHBondContact CG-OD1 3.37Å; L176-Y311 HydrophobicContact CD1-CD1 4.35Å; L176-Y311 HydrophobicContact CD1-CD2 4.25Å; L176-Y311 HydrophobicContact CD1-CG 3.85Å; L176-Y311 HydrophobicContact CD2-CD1 3.72Å; L176-Y311 HydrophobicContact CD2-CD2 4.25Å; L176-Y311 HydrophobicContact CD2-CE1 3.82Å; L176-Y311 HydrophobicContact CD2-CE2 4.35Å; L176-Y311 HydrophobicContact CD2-CG 3.93Å |
| 177 | D | 96.5 | Very high | 88.5 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | trans | -68 | 157.9 | 170.4 | 65.6 | 94 | 0 | 0 | 0 | 112.1 | P179 T180 Q181 | D177-P179 WeakPolarHBondContact OD1-CB 3.38Å; D177-P179 WeakPolarHBondContact OD1-CD 3.44Å; D177-T180 PolarHBondContact O-N 3.48Å; D177-T180 VanDerWaalsContact O-N 3.15Å; D177-T180 PolarHBondContact OD1-N 3.32Å; D177-T180 PolarHBondContact OD1-OG1 3.24Å; D177-T180 VanDerWaalsContact OD1-OG1 3.1Å; D177-T180 VanDerWaalsContact OD2-CB 3.26Å; D177-T180 WeakPolarHBondContact OD2-CB 3.29Å; D177-T180 PolarHBondContact OD2-OG1 3.17Å; D177-Q181 WeakPolarHBondContact O-CG 3.4Å; D177-Q181 PolarHBondContact O-N 3.48Å | ||
| 178 | G | 96.9 | Very high | 90.7 | Very high | 38 Ų | 38 | 54 Ų | 54 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.7 | -50 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T180 Q181 N182 | G178-T180 PolarHBondContact O-N 2.9Å; G178-Q181 PolarHBondContact O-N 2.99Å; G178-N182 PolarHBondContact O-N 3.19Å; G178-N182 VanDerWaalsContact O-N 3.08Å; G178-N182 PolarHBondContact O-ND2 3.31Å |
| 179 | P | 97.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.3 | -48.3 | 173.3 | -29.7 | 35.9 | 0 | 0 | 0 | 113.6 | D177 Q181 N182 L183 L320 W351 | D177-P179 WeakPolarHBondContact OD1-CB 3.38Å; D177-P179 WeakPolarHBondContact OD1-CD 3.44Å; P179-Q181 PolarHBondContact O-N 3.15Å; P179-N182 PolarHBondContact O-N 2.94Å; P179-L183 PolarHBondContact O-N 3.27Å; P179-L320 HydrophobicContact CB-CD1 4.17Å; P179-L320 HydrophobicContact CB-CD2 4.03Å; P179-L320 HydrophobicContact CG-CD2 3.8Å; P179-W351 HydrophobicContact CB-CZ2 3.98Å |
| 180 | T | 97.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | L176 D177 G178 N182 L183 I184 Y311 W351 | L176-T180 HydrophobicContact CB-CG2 4.34Å; L176-T180 HydrophobicContact CD1-CG2 4.22Å; L176-T180 HydrophobicContact CD2-CG2 4.23Å; L176-T180 HydrophobicContact CG-CG2 4.48Å; D177-T180 PolarHBondContact O-N 3.48Å; D177-T180 VanDerWaalsContact O-N 3.15Å; D177-T180 PolarHBondContact OD1-N 3.32Å; D177-T180 PolarHBondContact OD1-OG1 3.24Å; D177-T180 VanDerWaalsContact OD1-OG1 3.1Å; D177-T180 VanDerWaalsContact OD2-CB 3.26Å; D177-T180 WeakPolarHBondContact OD2-CB 3.29Å; D177-T180 PolarHBondContact OD2-OG1 3.17Å; G178-T180 PolarHBondContact O-N 2.9Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact O-N 3.1Å; T180-L183 PolarHBondContact O-N 2.9Å; T180-I184 HydrophobicContact CG2-CG1 4.36Å; T180-I184 WeakPolarHBondContact O-CG1 3.2Å; T180-I184 PolarHBondContact O-N 2.99Å; T180-Y311 HydrophobicContact CG2-CD2 4.41Å; T180-Y311 HydrophobicContact CG2-CE2 4.33Å; T180-W351 PolarHBondContact OG1-NE1 3.33Å |
| 181 | Q | 97.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -41.6 | 174.6 | -69.5 | -178.5 | 34.8 | 0 | 0 | 112.3 | L176 D177 G178 P179 I184 K185 I307 | L176-Q181 HydrophobicContact CB-CG 3.81Å; L176-Q181 PolarHBondContact O-NE2 2.92Å; D177-Q181 WeakPolarHBondContact O-CG 3.4Å; D177-Q181 PolarHBondContact O-N 3.48Å; G178-Q181 PolarHBondContact O-N 2.99Å; P179-Q181 PolarHBondContact O-N 3.15Å; Q181-I184 PolarHBondContact O-N 3.02Å; Q181-K185 VanDerWaalsContact O-CG 3.28Å; Q181-K185 WeakPolarHBondContact O-CG 3.18Å; Q181-K185 PolarHBondContact O-N 3.01Å; Q181-I307 HydrophobicContact CB-CD1 4.4Å; Q181-I307 HydrophobicContact CG-CG2 4.49Å |
| 182 | N | 96.6 | Very high | 94.2 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 179.2 | -68.4 | -22.7 | 0 | 0 | 0 | 111.8 | G178 P179 T180 K185 L186 | G178-N182 PolarHBondContact O-N 3.19Å; G178-N182 VanDerWaalsContact O-N 3.08Å; G178-N182 PolarHBondContact O-ND2 3.31Å; P179-N182 PolarHBondContact O-N 2.94Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact O-N 3.1Å; N182-K185 PolarHBondContact O-N 2.82Å; N182-L186 WeakPolarHBondContact O-CB 3.17Å; N182-L186 PolarHBondContact O-N 3.41Å |
| 183 | L | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 174.9 | 177.4 | 65 | 0 | 0 | 0 | 111.2 | P179 T180 L186 I187 L318 W351 V426 L516 | P179-L183 PolarHBondContact O-N 3.27Å; T180-L183 PolarHBondContact O-N 2.9Å; L183-L186 WeakPolarHBondContact O-CB 3.43Å; L183-L186 PolarHBondContact O-N 2.79Å; L183-L186 VanDerWaalsContact O-N 3.14Å; L183-I187 HydrophobicContact CD1-CG2 3.95Å; L183-I187 WeakPolarHBondContact O-CG1 3.37Å; L183-I187 WeakPolarHBondContact O-CG2 3.43Å; L183-I187 PolarHBondContact O-N 2.87Å; L183-L318 HydrophobicContact CD2-CD1 3.88Å; L183-W351 HydrophobicContact CB-CH2 4.09Å; L183-W351 HydrophobicContact CB-CZ2 4.1Å; L183-W351 HydrophobicContact CD2-CD2 4.16Å; L183-W351 HydrophobicContact CD2-CE3 4.14Å; L183-W351 HydrophobicContact CD2-CH2 3.96Å; L183-W351 HydrophobicContact CD2-CZ2 4.02Å; L183-W351 HydrophobicContact CD2-CZ3 4.05Å; L183-W351 HydrophobicContact CG-CH2 4.46Å; L183-V426 HydrophobicContact CD1-CG2 4.45Å; L183-L516 HydrophobicContact CD1-CD2 4.32Å; L183-L516 HydrophobicContact CD2-CD1 4.32Å; L183-L516 HydrophobicContact CD2-CD2 3.93Å |
| 184 | I | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | -179.6 | -60.5 | -56.7 | 0 | 0 | 0 | 111.2 | L176 T180 Q181 L186 I187 F188 I307 D310 Y311 L314 | L176-I184 HydrophobicContact CD1-CG1 4.43Å; T180-I184 HydrophobicContact CG2-CG1 4.36Å; T180-I184 WeakPolarHBondContact O-CG1 3.2Å; T180-I184 PolarHBondContact O-N 2.99Å; Q181-I184 PolarHBondContact O-N 3.02Å; I184-L186 VanDerWaalsContact C-N 3.25Å; I184-L186 PolarHBondContact O-N 2.68Å; I184-I187 HydrophobicContact CD1-CD1 3.98Å; I184-I187 PolarHBondContact O-N 2.82Å; I184-F188 HydrophobicContact CG2-CD2 3.93Å; I184-F188 HydrophobicContact CG2-CE2 4.28Å; I184-F188 WeakPolarHBondContact O-CD2 3.33Å; I184-F188 PolarHBondContact O-N 2.76Å; I184-F188 VanDerWaalsContact O-N 3.17Å; I184-I307 HydrophobicContact CB-CG2 3.81Å; I184-I307 HydrophobicContact CG1-CG2 4.5Å; I184-I307 HydrophobicContact CG2-CG2 3.68Å; I184-D310 HydrophobicContact CG2-CB 3.81Å; I184-Y311 HydrophobicContact CD1-CD2 3.88Å; I184-Y311 HydrophobicContact CG1-CD2 4.16Å; I184-L314 HydrophobicContact CD1-CD1 3.6Å |
| 185 | K | 95.3 | Very high | 94 | Very high | 111 Ų | 111 | 40.6 Ų | 40.6 | 48% | 0.483 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.6 | -41.1 | 173.1 | -73.6 | 173.4 | -172.1 | 175.3 | 0 | 112.2 | Q181 N182 S189 I307 | Q181-K185 VanDerWaalsContact O-CG 3.28Å; Q181-K185 WeakPolarHBondContact O-CG 3.18Å; Q181-K185 PolarHBondContact O-N 3.01Å; N182-K185 PolarHBondContact O-N 2.82Å; K185-S189 WeakPolarHBondContact O-CB 3.41Å; K185-S189 PolarHBondContact O-N 2.93Å; K185-S189 VanDerWaalsContact O-N 3.16Å; K185-I307 HydrophobicContact CD-CD1 4.18Å; K185-I307 HydrophobicContact CG-CD1 3.94Å; K185-I307 HydrophobicContact CG-CG1 4.47Å |
| 186 | L | 95.3 | Very high | 93.7 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -48.4 | -177.8 | 179.1 | 58.1 | 0 | 0 | 0 | 111.8 | N182 L183 I184 F188 S189 M192 I380 T424 | N182-L186 WeakPolarHBondContact O-CB 3.17Å; N182-L186 PolarHBondContact O-N 3.41Å; L183-L186 WeakPolarHBondContact O-CB 3.43Å; L183-L186 PolarHBondContact O-N 2.79Å; L183-L186 VanDerWaalsContact O-N 3.14Å; I184-L186 VanDerWaalsContact C-N 3.25Å; I184-L186 PolarHBondContact O-N 2.68Å; L186-F188 VanDerWaalsContact C-N 3.27Å; L186-F188 PolarHBondContact O-N 3Å; L186-S189 VanDerWaalsContact O-CB 3.29Å; L186-S189 WeakPolarHBondContact O-CB 3.1Å; L186-S189 PolarHBondContact O-N 3.36Å; L186-M192 WeakPolarHBondContact O-CE 3.42Å; L186-I380 HydrophobicContact CD1-CD1 4.08Å; L186-I380 HydrophobicContact CD2-CD1 3.53Å; L186-I380 HydrophobicContact CG-CD1 3.66Å; L186-T424 HydrophobicContact CD2-CG2 3.62Å |
| 187 | I | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75 | -14.5 | -175.8 | 69.8 | 179 | 0 | 0 | 0 | 113.7 | L183 I184 M192 F193 L314 V383 A384 L387 | L183-I187 HydrophobicContact CD1-CG2 3.95Å; L183-I187 WeakPolarHBondContact O-CG1 3.37Å; L183-I187 WeakPolarHBondContact O-CG2 3.43Å; L183-I187 PolarHBondContact O-N 2.87Å; I184-I187 HydrophobicContact CD1-CD1 3.98Å; I184-I187 PolarHBondContact O-N 2.82Å; I187-M192 WeakPolarHBondContact O-CE 3.21Å; I187-F193 VanDerWaalsContact O-CZ 3.26Å; I187-F193 WeakPolarHBondContact O-CZ 3.39Å; I187-L314 HydrophobicContact CD1-CD1 4.04Å; I187-V383 HydrophobicContact CD1-CG1 4.48Å; I187-V383 HydrophobicContact CG2-CB 3.96Å; I187-V383 HydrophobicContact CG2-CG1 3.75Å; I187-A384 HydrophobicContact CB-CB 4.44Å; I187-A384 HydrophobicContact CD1-CB 4.28Å; I187-A384 HydrophobicContact CG1-CB 4.36Å; I187-L387 HydrophobicContact CD1-CD1 3.95Å |
| 188 | F | 93.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 13.1 | 171.4 | -74.2 | -79.1 | 0 | 0 | 0 | 113.4 | I184 L186 L288 K289 D310 L314 A384 | I184-F188 HydrophobicContact CG2-CD2 3.93Å; I184-F188 HydrophobicContact CG2-CE2 4.28Å; I184-F188 WeakPolarHBondContact O-CD2 3.33Å; I184-F188 PolarHBondContact O-N 2.76Å; I184-F188 VanDerWaalsContact O-N 3.17Å; L186-F188 VanDerWaalsContact C-N 3.27Å; L186-F188 PolarHBondContact O-N 3Å; F188-L288 HydrophobicContact CE1-CB 4.22Å; F188-K289 HydrophobicContact CD1-CB 4.23Å; F188-K289 PolarHBondContact O-NZ 3.35Å; F188-D310 HydrophobicContact CD2-CB 3.99Å; F188-D310 HydrophobicContact CE2-CB 3.93Å; F188-D310 HydrophobicContact CZ-CB 4.4Å; F188-L314 HydrophobicContact CE2-CD1 4.34Å; F188-L314 HydrophobicContact CE2-CD2 3.87Å; F188-L314 HydrophobicContact CE2-CG 4.14Å; F188-L314 HydrophobicContact CZ-CD2 3.69Å; F188-L314 HydrophobicContact CZ-CG 4.25Å; F188-A384 HydrophobicContact CE1-CB 4.48Å; F188-A384 HydrophobicContact CZ-CB 4.3Å |
| 189 | S | 91.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | trans | -75.3 | 126.1 | -179.5 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | K185 L186 D191 M192 F193 | K185-S189 WeakPolarHBondContact O-CB 3.41Å; K185-S189 PolarHBondContact O-N 2.93Å; K185-S189 VanDerWaalsContact O-N 3.16Å; L186-S189 VanDerWaalsContact O-CB 3.29Å; L186-S189 WeakPolarHBondContact O-CB 3.1Å; L186-S189 PolarHBondContact O-N 3.36Å; S189-D191 VanDerWaalsContact C-N 3.27Å; S189-D191 PolarHBondContact O-N 3Å; S189-D191 PolarHBondContact OG-N 2.83Å; S189-M192 PolarHBondContact O-N 3.37Å; S189-M192 PolarHBondContact OG-N 3.48Å; S189-F193 WeakPolarHBondContact O-CD2 3.46Å; S189-F193 PolarHBondContact O-N 2.88Å; S189-F193 VanDerWaalsContact O-N 3.13Å | ||
| 190 | N | 88.1 | Confident | 91.9 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -35.1 | 173.6 | -73.1 | -8.7 | 0 | 0 | 0 | 111.7 | F193 K194 L209 Q286 | N190-F193 PolarHBondContact O-N 2.92Å; N190-K194 WeakPolarHBondContact O-CB 2.94Å; N190-K194 WeakPolarHBondContact O-CG 3.22Å; N190-K194 PolarHBondContact O-N 3.1Å; N190-L209 HydrophobicContact CB-CD1 3.8Å; N190-L209 VanDerWaalsContact O-CD1 3.3Å; N190-L209 WeakPolarHBondContact O-CD1 3.21Å; N190-Q286 PolarHBondContact OD1-NE2 3.07Å |
| 191 | D | 88.8 | Confident | 91.4 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69 | -38.9 | 178.8 | -67.3 | -22.9 | 0 | 0 | 0 | 111.3 | S189 F193 K194 E195 | S189-D191 VanDerWaalsContact C-N 3.27Å; S189-D191 PolarHBondContact O-N 3Å; S189-D191 PolarHBondContact OG-N 2.83Å; D191-F193 PolarHBondContact O-N 2.87Å; D191-K194 PolarHBondContact O-N 2.75Å; D191-K194 IonicContact OD1-NZ 2.97Å; D191-E195 WeakPolarHBondContact O-CB 3.25Å; D191-E195 WeakPolarHBondContact O-CG 3.48Å; D191-E195 PolarHBondContact O-N 2.88Å |
| 192 | M | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 173.4 | 175.7 | -80.6 | -69.2 | 0 | 0 | 111.3 | L186 I187 S189 K194 E195 A196 I380 A381 | L186-M192 WeakPolarHBondContact O-CE 3.42Å; I187-M192 WeakPolarHBondContact O-CE 3.21Å; S189-M192 PolarHBondContact O-N 3.37Å; S189-M192 PolarHBondContact OG-N 3.48Å; M192-K194 PolarHBondContact O-N 3.15Å; M192-E195 PolarHBondContact O-N 3.43Å; M192-A196 PolarHBondContact O-N 3.42Å; M192-I380 HydrophobicContact CG-CG1 4.48Å; M192-I380 HydrophobicContact CG-CG2 3.65Å; M192-I380 HydrophobicContact SD-CG2 3.79Å; M192-A381 WeakPolarHBondContact SD-CA 3.36Å; M192-A381 HydrophobicContact SD-CB 3.78Å |
| 193 | F | 90.5 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 177.7 | -62.4 | -54.7 | 0 | 0 | 0 | 112.3 | I187 S189 N190 D191 A196 M197 L209 I282 A285 Q286 A381 | I187-F193 VanDerWaalsContact O-CZ 3.26Å; I187-F193 WeakPolarHBondContact O-CZ 3.39Å; S189-F193 WeakPolarHBondContact O-CD2 3.46Å; S189-F193 PolarHBondContact O-N 2.88Å; S189-F193 VanDerWaalsContact O-N 3.13Å; N190-F193 PolarHBondContact O-N 2.92Å; D191-F193 PolarHBondContact O-N 2.87Å; F193-A196 PolarHBondContact O-N 2.56Å; F193-M197 WeakPolarHBondContact O-CG 3.39Å; F193-M197 PolarHBondContact O-N 2.95Å; F193-L209 HydrophobicContact CB-CD1 3.75Å; F193-L209 HydrophobicContact CB-CD2 3.44Å; F193-L209 VanDerWaalsContact CB-CD2 3.44Å; F193-L209 HydrophobicContact CB-CG 4.24Å; F193-L209 HydrophobicContact CD2-CD1 4.32Å; F193-L209 HydrophobicContact CD2-CD2 4.49Å; F193-L209 HydrophobicContact CG-CD2 4.22Å; F193-I282 HydrophobicContact CB-CD1 4.49Å; F193-I282 HydrophobicContact CB-CG2 4.06Å; F193-I282 HydrophobicContact CD1-CB 4.2Å; F193-I282 HydrophobicContact CD1-CD1 4.19Å; F193-I282 HydrophobicContact CD1-CG1 3.61Å; F193-I282 HydrophobicContact CD1-CG2 3.88Å; F193-I282 HydrophobicContact CD2-CG2 4.48Å; F193-I282 HydrophobicContact CE1-CB 4.45Å; F193-I282 HydrophobicContact CE1-CG1 4.04Å; F193-I282 HydrophobicContact CE1-CG2 4.36Å; F193-I282 HydrophobicContact CG-CG1 4.4Å; F193-I282 HydrophobicContact CG-CG2 3.92Å; F193-A285 HydrophobicContact CE1-CB 4.22Å; F193-A285 HydrophobicContact CE2-CB 4.38Å; F193-A285 HydrophobicContact CZ-CB 3.57Å; F193-Q286 VanDerWaalsContact CE2-NE2 3.28Å; F193-A381 HydrophobicContact CD1-CB 4.01Å; F193-A381 HydrophobicContact CE1-CB 4.38Å; F193-A381 WeakPolarHBondContact CE1-O 3.44Å |
| 194 | K | 87.9 | Confident | 89.1 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 173.4 | -72 | 170.5 | -173.5 | 171.1 | 0 | 111 | N190 D191 M192 M197 K198 I204 L209 | N190-K194 WeakPolarHBondContact O-CB 2.94Å; N190-K194 WeakPolarHBondContact O-CG 3.22Å; N190-K194 PolarHBondContact O-N 3.1Å; D191-K194 PolarHBondContact O-N 2.75Å; D191-K194 IonicContact OD1-NZ 2.97Å; M192-K194 PolarHBondContact O-N 3.15Å; K194-M197 HydrophobicContact CG-CE 4.41Å; K194-M197 PolarHBondContact O-N 2.98Å; K194-K198 WeakPolarHBondContact O-CB 3.42Å; K194-K198 PolarHBondContact O-N 3.32Å; K194-I204 HydrophobicContact CB-CD1 4.26Å; K194-I204 HydrophobicContact CB-CG2 4.42Å; K194-I204 HydrophobicContact CG-CG2 3.92Å; K194-I204 WeakPolarHBondContact O-CD1 3.11Å; K194-L209 HydrophobicContact CG-CD1 4.01Å |
| 195 | E | 88.4 | Confident | 87.9 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58 | -49 | 175.7 | -74.7 | 173.1 | -169.6 | 0 | 0 | 111.5 | D191 M192 M197 K198 C199 S421 N422 | D191-E195 WeakPolarHBondContact O-CB 3.25Å; D191-E195 WeakPolarHBondContact O-CG 3.48Å; D191-E195 PolarHBondContact O-N 2.88Å; M192-E195 PolarHBondContact O-N 3.43Å; E195-M197 PolarHBondContact O-N 3.27Å; E195-K198 WeakPolarHBondContact O-CB 3.33Å; E195-K198 PolarHBondContact O-N 2.95Å; E195-K198 VanDerWaalsContact O-N 3.16Å; E195-C199 PolarHBondContact O-N 3.49Å; E195-C199 PolarHBondContact O-SG 3.47Å; E195-S421 WeakPolarHBondContact OE2-CB 3.25Å; E195-S421 PolarHBondContact OE2-OG 2.96Å; E195-N422 PolarHBondContact OE1-ND2 2.68Å |
| 196 | A | 89 | Confident | 86.5 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M192 F193 K198 C199 M200 A381 | M192-A196 PolarHBondContact O-N 3.42Å; F193-A196 PolarHBondContact O-N 2.56Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.86Å; A196-C199 PolarHBondContact O-N 2.92Å; A196-M200 PolarHBondContact O-N 3.42Å; A196-A381 HydrophobicContact CB-CB 3.6Å |
| 197 | M | 88.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 175.7 | -71.1 | -173.8 | -59.7 | 0 | 0 | 112.2 | F193 K194 E195 C199 M200 L202 I204 L209 L279 I282 | F193-M197 WeakPolarHBondContact O-CG 3.39Å; F193-M197 PolarHBondContact O-N 2.95Å; K194-M197 HydrophobicContact CG-CE 4.41Å; K194-M197 PolarHBondContact O-N 2.98Å; E195-M197 PolarHBondContact O-N 3.27Å; M197-C199 PolarHBondContact O-N 3.19Å; M197-M200 PolarHBondContact O-N 3Å; M197-M200 VanDerWaalsContact O-N 3.14Å; M197-L202 HydrophobicContact CB-CB 4.32Å; M197-L202 HydrophobicContact CB-CD1 4.14Å; M197-L202 HydrophobicContact CG-CD1 4.2Å; M197-L202 WeakPolarHBondContact O-CB 3.35Å; M197-L202 PolarHBondContact O-N 2.9Å; M197-I204 HydrophobicContact CB-CD1 4.42Å; M197-I204 HydrophobicContact CB-CG1 4.01Å; M197-I204 HydrophobicContact CE-CG1 4.22Å; M197-I204 HydrophobicContact CE-CG2 4Å; M197-L209 HydrophobicContact CE-CD1 4.49Å; M197-L209 HydrophobicContact CE-CD2 3.27Å; M197-L209 HydrophobicContact CE-CG 3.68Å; M197-L209 HydrophobicContact SD-CD2 3.88Å; M197-L279 HydrophobicContact CG-CD2 4.01Å; M197-L279 HydrophobicContact SD-CD2 4.02Å; M197-I282 HydrophobicContact CG-CD1 3.89Å |
| 198 | K | 86.9 | Confident | 83.5 | Confident | 152 Ų | 152 | 42.2 Ų | 42.2 | 66% | 0.661 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.4 | -42.7 | 176.8 | -161.9 | 177.2 | 176.5 | -178 | 0 | 111.7 | K194 E195 A196 M200 D201 I204 | K194-K198 WeakPolarHBondContact O-CB 3.42Å; K194-K198 PolarHBondContact O-N 3.32Å; E195-K198 WeakPolarHBondContact O-CB 3.33Å; E195-K198 PolarHBondContact O-N 2.95Å; E195-K198 VanDerWaalsContact O-N 3.16Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.86Å; K198-M200 PolarHBondContact O-N 2.88Å; K198-D201 PolarHBondContact O-N 3.06Å; K198-I204 HydrophobicContact CB-CD1 3.8Å; K198-I204 HydrophobicContact CG-CD1 4.37Å |
| 199 | C | 86.1 | Confident | 81.9 | Confident | 107 Ų | 107 | 42.7 Ų | 42.7 | 72% | 0.723 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.6 | -16.4 | 177.2 | -71.5 | 0 | 0 | 0 | 0 | 113.4 | E195 A196 M197 | E195-C199 PolarHBondContact O-N 3.49Å; E195-C199 PolarHBondContact O-SG 3.47Å; A196-C199 PolarHBondContact O-N 2.92Å; M197-C199 PolarHBondContact O-N 3.19Å |
| 200 | M | 86.5 | Confident | 80 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13.7 | 175.6 | -62.9 | -173.7 | -68.7 | 0 | 0 | 113.2 | A196 M197 K198 L202 M275 V278 | A196-M200 PolarHBondContact O-N 3.42Å; M197-M200 PolarHBondContact O-N 3Å; M197-M200 VanDerWaalsContact O-N 3.14Å; K198-M200 PolarHBondContact O-N 2.88Å; M200-L202 VanDerWaalsContact C-N 3.27Å; M200-L202 HydrophobicContact CB-CD1 4.21Å; M200-L202 HydrophobicContact CB-CG 4.11Å; M200-L202 HydrophobicContact CE-CD1 4.06Å; M200-L202 PolarHBondContact O-N 2.56Å; M200-M275 HydrophobicContact CB-CG 3.92Å; M200-M275 HydrophobicContact CE-CG 4.31Å; M200-M275 HydrophobicContact CG-CG 4.21Å; M200-M275 HydrophobicContact SD-CB 3.88Å; M200-M275 HydrophobicContact SD-CG 3.53Å; M200-M275 VanDerWaalsContact SD-CG 3.53Å; M200-V278 HydrophobicContact CE-CB 4.03Å; M200-V278 HydrophobicContact CE-CG1 3.59Å; M200-V278 HydrophobicContact SD-CB 4Å; M200-V278 HydrophobicContact SD-CG1 4.04Å; M200-V278 HydrophobicContact SD-CG2 4.34Å |
| 201 | D | 87.3 | Confident | 78.4 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 26.5 | -179 | -56.7 | -49.4 | 0 | 0 | 0 | 114.8 | K198 H253 N254 | K198-D201 PolarHBondContact O-N 3.06Å; D201-H253 CarbonylContact O-C 3.55Å; D201-H253 VanDerWaalsContact O-CA 3.24Å; D201-H253 WeakPolarHBondContact O-CA 3.13Å; D201-H253 WeakPolarHBondContact O-CB 3.39Å; D201-N254 PolarHBondContact O-N 3.41Å |
| 202 | L | 85.8 | Confident | 77.2 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 144.6 | -179 | -59.8 | 176 | 0 | 0 | 0 | 112.2 | M197 M200 I204 M207 I251 M275 L279 | M197-L202 HydrophobicContact CB-CB 4.32Å; M197-L202 HydrophobicContact CB-CD1 4.14Å; M197-L202 HydrophobicContact CG-CD1 4.2Å; M197-L202 WeakPolarHBondContact O-CB 3.35Å; M197-L202 PolarHBondContact O-N 2.9Å; M200-L202 VanDerWaalsContact C-N 3.27Å; M200-L202 HydrophobicContact CB-CD1 4.21Å; M200-L202 HydrophobicContact CB-CG 4.11Å; M200-L202 HydrophobicContact CE-CD1 4.06Å; M200-L202 PolarHBondContact O-N 2.56Å; L202-I204 PolarHBondContact O-N 2.84Å; L202-I204 VanDerWaalsContact O-N 3.13Å; L202-M207 HydrophobicContact CB-CE 3.73Å; L202-M207 HydrophobicContact CD1-CE 4.48Å; L202-M207 HydrophobicContact CD2-CE 3.96Å; L202-M207 HydrophobicContact CG-CE 4.27Å; L202-I251 HydrophobicContact CD2-CG2 3.92Å; L202-M275 HydrophobicContact CD1-CG 4.39Å; L202-M275 HydrophobicContact CD1-SD 4.35Å; L202-M275 HydrophobicContact CD2-CE 4.13Å; L202-M275 HydrophobicContact CD2-SD 3.81Å; L202-L279 HydrophobicContact CD1-CD1 3.72Å; L202-L279 HydrophobicContact CD1-CD2 3.62Å; L202-L279 HydrophobicContact CD1-CG 3.9Å |
| 203 | D | 79.1 | Confident | 76 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | trans | -82.9 | 87.7 | 174.2 | -169.5 | -15.6 | 0 | 0 | 0 | 110.5 | V99 G100 K205 K206 M207 P252 | V99-D203 HydrophobicContact CG1-CB 3.8Å; V99-D203 WeakPolarHBondContact CG1-OD2 3.48Å; G100-D203 PolarHBondContact N-OD2 3.08Å; G100-D203 VanDerWaalsContact N-OD2 3.08Å; D203-K205 PolarHBondContact O-N 3.45Å; D203-K205 WeakPolarHBondContact OD1-CB 3.37Å; D203-K205 PolarHBondContact OD1-N 3.39Å; D203-K205 VanDerWaalsContact OD1-N 3.15Å; D203-K206 HydrophobicContact CB-CB 4.4Å; D203-K206 PolarHBondContact O-N 3.16Å; D203-K206 WeakPolarHBondContact OD2-CE 3.41Å; D203-K206 IonicContact OD2-NZ 3.55Å; D203-K206 PolarHBondContact OD2-NZ 3.25Å; D203-M207 PolarHBondContact O-N 3.05Å; D203-P252 HydrophobicContact CB-CB 4.15Å; D203-P252 PolarHBondContact N-O 2.9Å | ||
| 204 | I | 77.4 | Confident | 75.3 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.8 | 179.8 | -55.2 | 166.2 | 0 | 0 | 0 | 112.2 | K194 M197 K198 L202 K206 M207 P208 | K194-I204 HydrophobicContact CB-CD1 4.26Å; K194-I204 HydrophobicContact CB-CG2 4.42Å; K194-I204 HydrophobicContact CG-CG2 3.92Å; K194-I204 WeakPolarHBondContact O-CD1 3.11Å; M197-I204 HydrophobicContact CB-CD1 4.42Å; M197-I204 HydrophobicContact CB-CG1 4.01Å; M197-I204 HydrophobicContact CE-CG1 4.22Å; M197-I204 HydrophobicContact CE-CG2 4Å; K198-I204 HydrophobicContact CB-CD1 3.8Å; K198-I204 HydrophobicContact CG-CD1 4.37Å; L202-I204 PolarHBondContact O-N 2.84Å; L202-I204 VanDerWaalsContact O-N 3.13Å; I204-K206 PolarHBondContact O-N 3.32Å; I204-M207 CarbonylContact O-C 3.57Å; I204-P208 WeakPolarHBondContact O-CA 3.44Å |
| 205 | K | 72.1 | Confident | 74.9 | Confident | 110 Ų | 110 | 38.1 Ų | 38.1 | 48% | 0.478 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -27.3 | 178.5 | -68.7 | -177.6 | 165.4 | -115.8 | 0 | 111.8 | E48 D203 | E48-K205 IonicContact OE1-NZ 3.37Å; E48-K205 PolarHBondContact OE1-NZ 3.09Å; D203-K205 PolarHBondContact O-N 3.45Å; D203-K205 WeakPolarHBondContact OD1-CB 3.37Å; D203-K205 PolarHBondContact OD1-N 3.39Å; D203-K205 VanDerWaalsContact OD1-N 3.15Å |
| 206 | K | 66.2 | Low | 74.6 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -23.3 | 179.5 | -64.5 | -165.4 | -176.1 | 117.5 | 0 | 113.8 | M65 F78 V99 D203 I204 P208 P252 | M65-K206 HydrophobicContact CE-CG 4.13Å; M65-K206 HydrophobicContact SD-CD 3.93Å; M65-K206 HydrophobicContact SD-CG 4.04Å; F78-K206 HydrophobicContact CB-CD 3.86Å; F78-K206 VanDerWaalsContact CB-NZ 3.33Å; F78-K206 VanDerWaalsContact CD1-CE 3.49Å; F78-K206 HydrophobicContact CG-CD 4.34Å; F78-K206 VanDerWaalsContact CG-NZ 3.29Å; V99-K206 VanDerWaalsContact CA-NZ 3.31Å; D203-K206 HydrophobicContact CB-CB 4.4Å; D203-K206 PolarHBondContact O-N 3.16Å; D203-K206 WeakPolarHBondContact OD2-CE 3.41Å; D203-K206 IonicContact OD2-NZ 3.55Å; D203-K206 PolarHBondContact OD2-NZ 3.25Å; I204-K206 PolarHBondContact O-N 3.32Å; K206-P208 WeakPolarHBondContact O-CD 3.5Å; K206-P252 HydrophobicContact CB-CB 4.3Å; K206-P252 HydrophobicContact CB-CG 4.42Å |
| 207 | M | 66.2 | Low | 74.4 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -117.8 | 67 | 168.9 | -60.4 | 179 | -63.3 | 0 | 0 | 109 | L202 D203 I204 L212 I251 P252 | L202-M207 HydrophobicContact CB-CE 3.73Å; L202-M207 HydrophobicContact CD1-CE 4.48Å; L202-M207 HydrophobicContact CD2-CE 3.96Å; L202-M207 HydrophobicContact CG-CE 4.27Å; D203-M207 PolarHBondContact O-N 3.05Å; I204-M207 CarbonylContact O-C 3.57Å; M207-L212 HydrophobicContact CB-CD1 4.49Å; M207-L212 HydrophobicContact SD-CD1 4.23Å; M207-I251 HydrophobicContact SD-CG2 4.41Å; M207-P252 HydrophobicContact CE-CB 4.23Å; M207-P252 WeakPolarHBondContact CE-O 3.5Å; M207-P252 HydrophobicContact CG-CG 4.27Å; M207-P252 HydrophobicContact SD-CB 4.49Å; M207-P252 HydrophobicContact SD-CG 4.26Å |
| 208 | P | 62.4 | Low | 74.2 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | trans | -59 | 150.5 | 168.3 | -15 | 25.8 | 0 | 0 | 0 | 109.1 | I204 K206 G210 K211 L212 | I204-P208 WeakPolarHBondContact O-CA 3.44Å; K206-P208 WeakPolarHBondContact O-CD 3.5Å; P208-G210 VanDerWaalsContact C-N 3.26Å; P208-G210 PolarHBondContact O-N 3.49Å; P208-K211 HydrophobicContact CB-CB 4.44Å; P208-K211 HydrophobicContact CB-CD 4.18Å; P208-K211 HydrophobicContact CB-CG 3.91Å; P208-K211 HydrophobicContact CG-CB 4.37Å; P208-K211 HydrophobicContact CG-CD 3.63Å; P208-K211 HydrophobicContact CG-CG 3.88Å; P208-K211 WeakPolarHBondContact O-CA 3.4Å; P208-K211 WeakPolarHBondContact O-CB 3.36Å; P208-K211 PolarHBondContact O-N 2.79Å; P208-L212 PolarHBondContact O-N 2.93Å | ||
| 209 | L | 58.4 | Low | 74.2 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -54.8 | -39 | -171.4 | -72.3 | 165.9 | 0 | 0 | 0 | 113.8 | N190 F193 K194 M197 K211 I282 Q286 | N190-L209 HydrophobicContact CB-CD1 3.8Å; N190-L209 VanDerWaalsContact O-CD1 3.3Å; N190-L209 WeakPolarHBondContact O-CD1 3.21Å; F193-L209 HydrophobicContact CB-CD1 3.75Å; F193-L209 HydrophobicContact CB-CD2 3.44Å; F193-L209 VanDerWaalsContact CB-CD2 3.44Å; F193-L209 HydrophobicContact CB-CG 4.24Å; F193-L209 HydrophobicContact CD2-CD1 4.32Å; F193-L209 HydrophobicContact CD2-CD2 4.49Å; F193-L209 HydrophobicContact CG-CD2 4.22Å; K194-L209 HydrophobicContact CG-CD1 4.01Å; M197-L209 HydrophobicContact CE-CD1 4.49Å; M197-L209 HydrophobicContact CE-CD2 3.27Å; M197-L209 HydrophobicContact CE-CG 3.68Å; M197-L209 HydrophobicContact SD-CD2 3.88Å; L209-K211 PolarHBondContact O-N 3.04Å; L209-I282 HydrophobicContact CD2-CG2 3.47Å; L209-I282 VanDerWaalsContact CD2-CG2 3.47Å; L209-Q286 HydrophobicContact CB-CG 4.37Å |
| 210 | G | 51.8 | Low | 74.4 | Confident | 22 Ų | 22 | 25.5 Ų | 25.5 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -76.3 | -4.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D151 G152 P208 | D151-G210 CarbonylContact C-O 3.47Å; G152-G210 VanDerWaalsContact O-O 3.07Å; P208-G210 VanDerWaalsContact C-N 3.26Å; P208-G210 PolarHBondContact O-N 3.49Å |
| 211 | K | 55 | Low | 74.4 | Confident | 44 Ų | 44 | 24 Ų | 24 | 19% | 0.191 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -112.2 | -2.2 | -174.2 | -50.9 | -159.1 | -166.2 | 164.3 | 0 | 113.8 | V150 D151 E153 P208 L209 S213 | V150-K211 WeakPolarHBondContact CA-O 3.48Å; V150-K211 HydrophobicContact CB-CB 4.25Å; V150-K211 HydrophobicContact CB-CD 4.49Å; V150-K211 HydrophobicContact CG1-CB 3.47Å; V150-K211 VanDerWaalsContact CG1-CB 3.47Å; V150-K211 HydrophobicContact CG1-CD 3.07Å; V150-K211 HydrophobicContact CG1-CG 3.65Å; D151-K211 PolarHBondContact N-O 3.45Å; D151-K211 WeakPolarHBondContact O-CA 3.13Å; D151-K211 WeakPolarHBondContact O-CB 3.35Å; D151-K211 WeakPolarHBondContact O-CG 3.44Å; E153-K211 HydrophobicContact CG-CG 4.39Å; E153-K211 WeakPolarHBondContact OE1-CE 3.49Å; E153-K211 IonicContact OE1-NZ 3.09Å; E153-K211 PolarHBondContact OE1-NZ 3.22Å; E153-K211 IonicContact OE2-NZ 3.32Å; P208-K211 HydrophobicContact CB-CB 4.44Å; P208-K211 HydrophobicContact CB-CD 4.18Å; P208-K211 HydrophobicContact CB-CG 3.91Å; P208-K211 HydrophobicContact CG-CB 4.37Å; P208-K211 HydrophobicContact CG-CD 3.63Å; P208-K211 HydrophobicContact CG-CG 3.88Å; P208-K211 WeakPolarHBondContact O-CA 3.4Å; P208-K211 WeakPolarHBondContact O-CB 3.36Å; P208-K211 PolarHBondContact O-N 2.79Å; L209-K211 PolarHBondContact O-N 3.04Å; K211-S213 PolarHBondContact O-N 3.33Å |
| 212 | L | 62.4 | Low | 74.5 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 91.2 | 179.4 | -173 | 71.8 | 0 | 0 | 0 | 109.2 | M207 P208 I217 L279 E283 | M207-L212 HydrophobicContact CB-CD1 4.49Å; M207-L212 HydrophobicContact SD-CD1 4.23Å; P208-L212 PolarHBondContact O-N 2.93Å; L212-I217 HydrophobicContact CD1-CD1 4.42Å; L212-I217 HydrophobicContact CD1-CG1 4.05Å; L212-I217 HydrophobicContact CD2-CD1 3.6Å; L212-I217 HydrophobicContact CD2-CG1 4.14Å; L212-I217 HydrophobicContact CG-CD1 3.78Å; L212-I217 HydrophobicContact CG-CG1 3.91Å; L212-L279 HydrophobicContact CD2-CB 4.09Å; L212-L279 HydrophobicContact CD2-CD2 3.87Å; L212-E283 HydrophobicContact CD2-CB 4.24Å |
| 213 | S | 68.1 | Low | 74.8 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | trans | -70.4 | 137.5 | -179.1 | 65.8 | 0 | 0 | 0 | 0 | 111 | E149 D151 K211 A215 Q216 I217 | E149-S213 VanDerWaalsContact CB-OG 3.27Å; E149-S213 WeakPolarHBondContact CB-OG 3.33Å; E149-S213 WeakPolarHBondContact O-CB 3.46Å; E149-S213 PolarHBondContact O-OG 3.16Å; D151-S213 WeakPolarHBondContact OD2-CA 3.29Å; D151-S213 WeakPolarHBondContact OD2-CB 3.47Å; K211-S213 PolarHBondContact O-N 3.33Å; S213-A215 PolarHBondContact O-N 3.28Å; S213-A215 VanDerWaalsContact O-N 3.15Å; S213-Q216 WeakPolarHBondContact O-CB 3.38Å; S213-Q216 PolarHBondContact O-N 3.12Å; S213-Q216 WeakPolarHBondContact OG-CB 3.49Å; S213-Q216 PolarHBondContact OG-N 2.86Å; S213-I217 PolarHBondContact O-N 3.12Å | ||
| 214 | K | 76.9 | Confident | 75.4 | Confident | 36 Ų | 36 | 22.7 Ų | 22.7 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -49.5 | -40.5 | 173.9 | -64 | -175.6 | 177.4 | 175.3 | 0 | 111.8 | L33 A36 Q216 I217 A218 E283 | L33-K214 HydrophobicContact CB-CB 3.82Å; L33-K214 HydrophobicContact CD2-CB 3.5Å; L33-K214 HydrophobicContact CD2-CD 4.02Å; L33-K214 HydrophobicContact CD2-CG 3.5Å; L33-K214 VanDerWaalsContact CD2-CG 3.5Å; L33-K214 HydrophobicContact CG-CB 4.22Å; L33-K214 WeakPolarHBondContact O-CB 3.28Å; A36-K214 HydrophobicContact CB-CD 3.41Å; A36-K214 VanDerWaalsContact CB-CD 3.41Å; K214-Q216 PolarHBondContact O-N 3.39Å; K214-I217 PolarHBondContact O-N 3.4Å; K214-A218 WeakPolarHBondContact O-CB 3.25Å; K214-A218 PolarHBondContact O-N 3.25Å; K214-E283 WeakPolarHBondContact CE-OE1 3.36Å; K214-E283 WeakPolarHBondContact CE-OE2 3.4Å; K214-E283 HydrophobicContact CG-CG 4.13Å; K214-E283 IonicContact NZ-OE1 3.5Å |
| 215 | A | 78.8 | Confident | 75.9 | Confident | 21 Ų | 21 | 23.4 Ų | 23.4 | 17% | 0.174 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E149 S213 A218 K219 | E149-A215 VanDerWaalsContact OE2-CB 3.25Å; E149-A215 WeakPolarHBondContact OE2-CB 3.49Å; S213-A215 PolarHBondContact O-N 3.28Å; S213-A215 VanDerWaalsContact O-N 3.15Å; A215-A218 PolarHBondContact O-N 2.78Å; A215-K219 WeakPolarHBondContact O-CG 3.49Å; A215-K219 PolarHBondContact O-N 3.17Å |
| 216 | Q | 81.9 | Confident | 76.8 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 179.1 | -161 | 69.8 | 18.2 | 0 | 0 | 112 | S213 K214 A218 K219 G220 T250 I251 | S213-Q216 WeakPolarHBondContact O-CB 3.38Å; S213-Q216 PolarHBondContact O-N 3.12Å; S213-Q216 WeakPolarHBondContact OG-CB 3.49Å; S213-Q216 PolarHBondContact OG-N 2.86Å; K214-Q216 PolarHBondContact O-N 3.39Å; Q216-A218 VanDerWaalsContact C-N 3.33Å; Q216-K219 PolarHBondContact O-N 3.31Å; Q216-G220 PolarHBondContact O-N 2.81Å; Q216-T250 PolarHBondContact NE2-O 3.24Å; Q216-I251 HydrophobicContact CG-CD1 4.49Å |
| 217 | I | 85 | Confident | 78 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 174.9 | -54.2 | 175.3 | 0 | 0 | 0 | 109.7 | L33 L212 S213 K214 K219 G220 F221 L276 L279 A280 E283 | L33-I217 HydrophobicContact CD1-CB 3.94Å; L33-I217 HydrophobicContact CD1-CG2 3.83Å; L212-I217 HydrophobicContact CD1-CD1 4.42Å; L212-I217 HydrophobicContact CD1-CG1 4.05Å; L212-I217 HydrophobicContact CD2-CD1 3.6Å; L212-I217 HydrophobicContact CD2-CG1 4.14Å; L212-I217 HydrophobicContact CG-CD1 3.78Å; L212-I217 HydrophobicContact CG-CG1 3.91Å; S213-I217 PolarHBondContact O-N 3.12Å; K214-I217 PolarHBondContact O-N 3.4Å; I217-K219 PolarHBondContact O-N 3.43Å; I217-G220 WeakPolarHBondContact O-CA 3.46Å; I217-G220 PolarHBondContact O-N 2.98Å; I217-F221 HydrophobicContact CG2-CD2 4.1Å; I217-F221 HydrophobicContact CG2-CE2 3.58Å; I217-F221 HydrophobicContact CG2-CZ 4.15Å; I217-F221 WeakPolarHBondContact O-CD2 3.33Å; I217-F221 PolarHBondContact O-N 3.37Å; I217-L276 HydrophobicContact CG2-CD2 4.36Å; I217-L279 HydrophobicContact CD1-CB 4.36Å; I217-A280 HydrophobicContact CG2-CB 4.38Å; I217-E283 HydrophobicContact CD1-CB 4.05Å; I217-E283 HydrophobicContact CD1-CG 4.37Å |
| 218 | A | 84.5 | Confident | 79 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | K30 L33 L34 K214 A215 Q216 G220 F221 E222 | K30-A218 HydrophobicContact CG-CB 4.16Å; L33-A218 HydrophobicContact CB-CB 4.31Å; L34-A218 HydrophobicContact CD2-CB 3.89Å; L34-A218 HydrophobicContact CG-CB 3.91Å; K214-A218 WeakPolarHBondContact O-CB 3.25Å; K214-A218 PolarHBondContact O-N 3.25Å; A215-A218 PolarHBondContact O-N 2.78Å; Q216-A218 VanDerWaalsContact C-N 3.33Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 3.37Å; A218-F221 WeakPolarHBondContact O-CB 3.46Å; A218-F221 PolarHBondContact O-N 3.03Å; A218-E222 PolarHBondContact O-N 3.28Å; A218-E222 VanDerWaalsContact O-N 3.09Å |
| 219 | K | 86.2 | Confident | 80.2 | Confident | 69 Ų | 69 | 26.1 Ų | 26.1 | 30% | 0.3 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62 | -37.8 | 172.3 | -70.9 | 171.5 | -169.8 | 169.5 | 0 | 111.6 | E149 A215 Q216 I217 F221 E222 V223 T250 | E149-K219 IonicContact OE1-NZ 3.42Å; E149-K219 PolarHBondContact OE1-NZ 3.14Å; E149-K219 IonicContact OE2-NZ 3.05Å; A215-K219 WeakPolarHBondContact O-CG 3.49Å; A215-K219 PolarHBondContact O-N 3.17Å; Q216-K219 PolarHBondContact O-N 3.31Å; I217-K219 PolarHBondContact O-N 3.43Å; K219-F221 VanDerWaalsContact C-N 3.31Å; K219-F221 PolarHBondContact O-N 2.96Å; K219-E222 PolarHBondContact O-N 3.19Å; K219-V223 WeakPolarHBondContact O-CG2 3.45Å; K219-V223 PolarHBondContact O-N 3.01Å; K219-V223 VanDerWaalsContact O-N 3.14Å; K219-T250 HydrophobicContact CB-CG2 3.72Å |
| 220 | G | 90.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q216 I217 A218 V223 L224 | Q216-G220 PolarHBondContact O-N 2.81Å; I217-G220 WeakPolarHBondContact O-CA 3.46Å; I217-G220 PolarHBondContact O-N 2.98Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 3.37Å; G220-V223 PolarHBondContact O-N 3.43Å; G220-L224 PolarHBondContact O-N 3Å |
| 221 | F | 87.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.6 | -72.7 | -50 | 0 | 0 | 0 | 112.4 | F26 T29 K30 L33 I217 A218 K219 V223 L224 E225 L276 M277 | F26-F221 HydrophobicContact CD1-CD1 4.37Å; F26-F221 AromaticContact CD2-CD1 3.54Å; F26-F221 HydrophobicContact CD2-CD1 3.54Å; F26-F221 AromaticContact CD2-CE1 3.47Å; F26-F221 HydrophobicContact CD2-CE1 3.47Å; F26-F221 VanDerWaalsContact CD2-CE1 3.47Å; F26-F221 HydrophobicContact CD2-CG 4.4Å; F26-F221 HydrophobicContact CD2-CZ 4.36Å; F26-F221 HydrophobicContact CE1-CB 3.72Å; F26-F221 AromaticContact CE1-CD1 3.87Å; F26-F221 HydrophobicContact CE1-CD1 3.87Å; F26-F221 AromaticContact CE1-CG 3.99Å; F26-F221 HydrophobicContact CE1-CG 3.99Å; F26-F221 HydrophobicContact CE2-CB 4.31Å; F26-F221 AromaticContact CE2-CD1 2.95Å; F26-F221 HydrophobicContact CE2-CD1 2.95Å; F26-F221 AromaticContact CE2-CE1 3.31Å; F26-F221 HydrophobicContact CE2-CE1 3.31Å; F26-F221 AromaticContact CE2-CG 3.9Å; F26-F221 HydrophobicContact CE2-CG 3.9Å; F26-F221 HydrophobicContact CE2-CZ 4.5Å; F26-F221 HydrophobicContact CG-CD1 4.24Å; F26-F221 HydrophobicContact CG-CE1 4.3Å; F26-F221 HydrophobicContact CZ-CB 3.57Å; F26-F221 AromaticContact CZ-CD1 3.15Å; F26-F221 HydrophobicContact CZ-CD1 3.15Å; F26-F221 AromaticContact CZ-CE1 3.98Å; F26-F221 HydrophobicContact CZ-CE1 3.98Å; F26-F221 AromaticContact CZ-CG 3.67Å; F26-F221 HydrophobicContact CZ-CG 3.67Å; T29-F221 HydrophobicContact CG2-CE2 4.22Å; K30-F221 HydrophobicContact CB-CD2 4.17Å; K30-F221 HydrophobicContact CD-CB 4.31Å; L33-F221 HydrophobicContact CD1-CE2 4.11Å; I217-F221 HydrophobicContact CG2-CD2 4.1Å; I217-F221 HydrophobicContact CG2-CE2 3.58Å; I217-F221 HydrophobicContact CG2-CZ 4.15Å; I217-F221 WeakPolarHBondContact O-CD2 3.33Å; I217-F221 PolarHBondContact O-N 3.37Å; A218-F221 WeakPolarHBondContact O-CB 3.46Å; A218-F221 PolarHBondContact O-N 3.03Å; K219-F221 VanDerWaalsContact C-N 3.31Å; K219-F221 PolarHBondContact O-N 2.96Å; F221-V223 VanDerWaalsContact C-N 3.29Å; F221-V223 PolarHBondContact O-N 3.48Å; F221-L224 PolarHBondContact O-N 3.05Å; F221-L224 VanDerWaalsContact O-N 3.11Å; F221-E225 PolarHBondContact O-N 2.96Å; F221-L276 HydrophobicContact CB-CD1 4.48Å; F221-L276 HydrophobicContact CD1-CB 3.85Å; F221-L276 HydrophobicContact CD1-CD1 3.38Å; F221-L276 HydrophobicContact CD1-CG 4.29Å; F221-L276 HydrophobicContact CE1-CB 3.28Å; F221-L276 HydrophobicContact CE1-CD1 3.78Å; F221-L276 HydrophobicContact CE1-CG 4.2Å; F221-L276 HydrophobicContact CE2-CB 4.49Å; F221-L276 HydrophobicContact CG-CD1 3.95Å; F221-L276 HydrophobicContact CZ-CB 3.65Å; F221-M277 HydrophobicContact CE1-CG 4.42Å; F221-M277 HydrophobicContact CE1-SD 3.94Å; F221-M277 HydrophobicContact CE2-SD 4.5Å; F221-M277 HydrophobicContact CZ-CG 4.36Å; F221-M277 HydrophobicContact CZ-SD 3.47Å; F221-M277 WeakPolarHBondContact CZ-SD 3.2Å |
| 222 | E | 89.6 | Confident | 84.5 | Confident | 73 Ų | 73 | 30.2 Ų | 30.2 | 34% | 0.341 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.2 | -42 | 176.4 | -73.4 | 172.9 | -179.5 | 0 | 0 | 112.7 | K30 A218 K219 L224 E225 E226 | K30-E222 HydrophobicContact CD-CG 4.34Å; K30-E222 VanDerWaalsContact CE-OE1 3.31Å; K30-E222 WeakPolarHBondContact CE-OE1 3.5Å; K30-E222 IonicContact NZ-OE1 2.79Å; A218-E222 PolarHBondContact O-N 3.28Å; A218-E222 VanDerWaalsContact O-N 3.09Å; K219-E222 PolarHBondContact O-N 3.19Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 3.49Å; E222-E225 PolarHBondContact O-N 3.18Å; E222-E226 WeakPolarHBondContact O-CG 3.23Å; E222-E226 PolarHBondContact O-N 3.46Å |
| 223 | V | 92.3 | Very high | 85.4 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | K219 G220 F221 E226 I227 K246 F247 | K219-V223 WeakPolarHBondContact O-CG2 3.45Å; K219-V223 PolarHBondContact O-N 3.01Å; K219-V223 VanDerWaalsContact O-N 3.14Å; G220-V223 PolarHBondContact O-N 3.43Å; F221-V223 VanDerWaalsContact C-N 3.29Å; F221-V223 PolarHBondContact O-N 3.48Å; V223-E226 PolarHBondContact O-N 3.46Å; V223-I227 HydrophobicContact CG1-CD1 4.15Å; V223-I227 VanDerWaalsContact O-CG1 3.29Å; V223-I227 WeakPolarHBondContact O-CG1 3.31Å; V223-I227 PolarHBondContact O-N 3.1Å; V223-K246 HydrophobicContact CG1-CB 4.18Å; V223-K246 HydrophobicContact CG1-CD 4.24Å; V223-K246 HydrophobicContact CG1-CG 4.16Å; V223-K246 HydrophobicContact CG2-CD 3.91Å; V223-K246 HydrophobicContact CG2-CG 3.91Å; V223-F247 HydrophobicContact CB-CD2 4.46Å; V223-F247 HydrophobicContact CG1-CB 3.75Å; V223-F247 HydrophobicContact CG1-CD2 4.47Å |
| 224 | L | 91.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -38 | 174.9 | -67.9 | -177.2 | 0 | 0 | 0 | 112.1 | G220 F221 E222 E226 I227 E228 F247 I263 K272 K273 L276 | G220-L224 PolarHBondContact O-N 3Å; F221-L224 PolarHBondContact O-N 3.05Å; F221-L224 VanDerWaalsContact O-N 3.11Å; E222-L224 VanDerWaalsContact C-N 3.34Å; E222-L224 PolarHBondContact O-N 3.49Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 2.86Å; L224-I227 HydrophobicContact CD2-CD1 4.12Å; L224-I227 PolarHBondContact O-N 2.65Å; L224-E228 PolarHBondContact O-N 3.45Å; L224-F247 HydrophobicContact CD1-CE2 3.93Å; L224-F247 HydrophobicContact CD2-CD2 3.61Å; L224-F247 HydrophobicContact CD2-CE2 3.58Å; L224-F247 HydrophobicContact CD2-CG 4.26Å; L224-F247 HydrophobicContact CD2-CZ 4.2Å; L224-F247 HydrophobicContact CG-CD2 3.86Å; L224-F247 HydrophobicContact CG-CE2 3.62Å; L224-I263 HydrophobicContact CD2-CD1 4.37Å; L224-K272 HydrophobicContact CD1-CB 3.95Å; L224-K272 HydrophobicContact CD2-CB 3.9Å; L224-K273 HydrophobicContact CD1-CB 4.34Å; L224-K273 HydrophobicContact CD1-CG 3.7Å; L224-L276 HydrophobicContact CD1-CD1 3.63Å; L224-L276 HydrophobicContact CD1-CG 4.39Å; L224-L276 HydrophobicContact CG-CD1 4.34Å |
| 225 | E | 88.1 | Confident | 84.8 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 172 | -67.9 | 171.8 | 156.5 | 0 | 0 | 111 | F26 K30 F221 E222 I227 E228 A229 | F26-E225 HydrophobicContact CE1-CG 3.95Å; F26-E225 WeakPolarHBondContact CE1-OE1 3.49Å; F26-E225 HydrophobicContact CZ-CG 4.33Å; K30-E225 IonicContact NZ-OE1 2.68Å; K30-E225 IonicContact NZ-OE2 2.87Å; K30-E225 PolarHBondContact NZ-OE2 2.99Å; F221-E225 PolarHBondContact O-N 2.96Å; E222-E225 PolarHBondContact O-N 3.18Å; E225-I227 PolarHBondContact O-N 3.22Å; E225-E228 PolarHBondContact O-N 3.08Å; E225-A229 WeakPolarHBondContact O-CB 3.42Å; E225-A229 PolarHBondContact O-N 2.73Å |
| 226 | E | 90.6 | Very high | 84.4 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.7 | -73 | 177.5 | -151.1 | 0 | 0 | 112.3 | E222 V223 L224 A230 L243 K246 | E222-E226 WeakPolarHBondContact O-CG 3.23Å; E222-E226 PolarHBondContact O-N 3.46Å; V223-E226 PolarHBondContact O-N 3.46Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 2.86Å; E226-A230 WeakPolarHBondContact O-CB 3.28Å; E226-A230 PolarHBondContact O-N 3.26Å; E226-L243 HydrophobicContact CB-CD1 4.37Å; E226-L243 HydrophobicContact CB-CD2 3.99Å; E226-L243 VanDerWaalsContact OE2-CD2 3.24Å; E226-L243 WeakPolarHBondContact OE2-CD2 3.34Å; E226-K246 IonicContact OE1-NZ 2.8Å; E226-K246 PolarHBondContact OE1-NZ 2.94Å; E226-K246 IonicContact OE2-NZ 3.77Å; E226-K246 PolarHBondContact OE2-NZ 2.62Å |
| 227 | I | 91.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -50.2 | 177 | -72.2 | 165 | 0 | 0 | 0 | 110.3 | V223 L224 E225 A229 A230 M231 L240 L243 F247 I263 V269 | V223-I227 HydrophobicContact CG1-CD1 4.15Å; V223-I227 VanDerWaalsContact O-CG1 3.29Å; V223-I227 WeakPolarHBondContact O-CG1 3.31Å; V223-I227 PolarHBondContact O-N 3.1Å; L224-I227 HydrophobicContact CD2-CD1 4.12Å; L224-I227 PolarHBondContact O-N 2.65Å; E225-I227 PolarHBondContact O-N 3.22Å; I227-A229 VanDerWaalsContact C-N 3.3Å; I227-A229 PolarHBondContact O-N 3.27Å; I227-A230 PolarHBondContact O-N 3.42Å; I227-M231 HydrophobicContact CG2-CG 4.4Å; I227-M231 HydrophobicContact CG2-SD 4.37Å; I227-M231 WeakPolarHBondContact O-CG 3.48Å; I227-M231 PolarHBondContact O-N 3.35Å; I227-L240 HydrophobicContact CG2-CD2 4.05Å; I227-L243 HydrophobicContact CD1-CB 4.24Å; I227-L243 HydrophobicContact CG1-CB 3.5Å; I227-L243 HydrophobicContact CG1-CD1 4.18Å; I227-L243 HydrophobicContact CG1-CG 4.41Å; I227-F247 HydrophobicContact CD1-CB 4.19Å; I227-I263 HydrophobicContact CD1-CB 4.26Å; I227-I263 HydrophobicContact CD1-CD1 3.94Å; I227-I263 HydrophobicContact CD1-CG2 4.31Å; I227-I263 HydrophobicContact CG2-CB 4.39Å; I227-I263 HydrophobicContact CG2-CG2 3.85Å; I227-V269 HydrophobicContact CG2-CG2 3.82Å |
| 228 | E | 87.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | -179 | -172.7 | 172 | -169.9 | 0 | 0 | 111.8 | L224 E225 M231 K273 | L224-E228 PolarHBondContact O-N 3.45Å; E225-E228 PolarHBondContact O-N 3.08Å; E228-M231 PolarHBondContact O-N 2.63Å; E228-K273 IonicContact OE1-NZ 3.83Å; E228-K273 WeakPolarHBondContact OE2-CE 3.13Å; E228-K273 IonicContact OE2-NZ 3.5Å; E228-K273 PolarHBondContact OE2-NZ 2.99Å |
| 229 | A | 87 | Confident | 84.5 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E225 I227 M231 S232 | E225-A229 WeakPolarHBondContact O-CB 3.42Å; E225-A229 PolarHBondContact O-N 2.73Å; I227-A229 VanDerWaalsContact C-N 3.3Å; I227-A229 PolarHBondContact O-N 3.27Å; A229-M231 VanDerWaalsContact C-N 3.35Å; A229-S232 PolarHBondContact O-N 3.05Å |
| 230 | A | 89.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.1 | -30.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E226 I227 S232 Q233 R239 L240 L243 | E226-A230 WeakPolarHBondContact O-CB 3.28Å; E226-A230 PolarHBondContact O-N 3.26Å; I227-A230 PolarHBondContact O-N 3.42Å; A230-S232 PolarHBondContact O-N 3.02Å; A230-Q233 PolarHBondContact O-N 3.26Å; A230-Q233 VanDerWaalsContact O-N 3.12Å; A230-R239 HydrophobicContact CB-CG 4.22Å; A230-L240 HydrophobicContact CB-CD2 4.12Å; A230-L243 HydrophobicContact CB-CD1 3.62Å |
| 231 | M | 85.5 | Confident | 84.8 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.7 | -25.6 | 176.9 | -75.1 | -179.4 | 71.1 | 0 | 0 | 113.4 | I227 E228 A229 Q233 L240 K266 V269 | I227-M231 HydrophobicContact CG2-CG 4.4Å; I227-M231 HydrophobicContact CG2-SD 4.37Å; I227-M231 WeakPolarHBondContact O-CG 3.48Å; I227-M231 PolarHBondContact O-N 3.35Å; E228-M231 PolarHBondContact O-N 2.63Å; A229-M231 VanDerWaalsContact C-N 3.35Å; M231-Q233 VanDerWaalsContact C-N 3.28Å; M231-Q233 PolarHBondContact O-N 2.8Å; M231-L240 HydrophobicContact CG-CD1 4.37Å; M231-L240 HydrophobicContact CG-CD2 3.67Å; M231-K266 HydrophobicContact CE-CB 4.49Å; M231-K266 HydrophobicContact CE-CG 3.81Å; M231-V269 HydrophobicContact SD-CG2 3.68Å |
| 232 | S | 79.6 | Confident | 84.9 | Confident | 111 Ų | 111 | 70 Ų | 70 | 78% | 0.776 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.3 | 179.1 | -60 | 0 | 0 | 0 | 0 | 113.5 | A229 A230 | A229-S232 PolarHBondContact O-N 3.05Å; A230-S232 PolarHBondContact O-N 3.02Å |
| 233 | Q | 82 | Confident | 85.1 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -101 | 139.5 | -175.1 | -59.7 | -175.4 | -11 | 0 | 0 | 112.7 | A230 M231 | A230-Q233 PolarHBondContact O-N 3.26Å; A230-Q233 VanDerWaalsContact O-N 3.12Å; M231-Q233 VanDerWaalsContact C-N 3.28Å; M231-Q233 PolarHBondContact O-N 2.8Å |
| 234 | K | 66.8 | Low | 85.2 | Confident | 223 Ų | 223 | 66.4 Ų | 66.4 | 97% | 0.97 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 130.6 | 175.5 | -73.3 | -174.1 | 177.7 | -179.3 | 0 | 110.8 | ||
| 235 | G | 65.3 | Low | 85.3 | Confident | 81 Ų | 81 | 67 Ų | 67 | 84% | 0.835 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 12.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R237 | G235-R237 PolarHBondContact O-N 3.41Š|
| 236 | G | 69.9 | Low | 85.5 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | G238 R239 L240 | G236-G238 PolarHBondContact O-N 2.88Å; G236-R239 CarbonylContact O-C 3.49Å; G236-R239 PolarHBondContact O-N 3.34Å; G236-R239 VanDerWaalsContact O-N 3.08Å; G236-L240 WeakPolarHBondContact O-CB 3.24Å; G236-L240 VanDerWaalsContact O-CG 3.28Å; G236-L240 WeakPolarHBondContact O-CG 3.23Å; G236-L240 PolarHBondContact O-N 2.77Å |
| 237 | R | 79.9 | Confident | 85.6 | Confident | 188 Ų | 188 | 65.5 Ų | 65.5 | 71% | 0.709 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | -169.6 | -162.3 | 175.2 | -170.3 | 172.2 | 4.6 | 113.7 | G235 R239 L240 E241 | G235-R237 PolarHBondContact O-N 3.41Å; R237-R239 VanDerWaalsContact C-N 3.35Å; R237-L240 PolarHBondContact O-N 3.27Å; R237-E241 PolarHBondContact O-N 3.33Å |
| 238 | G | 85.7 | Confident | 85.6 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G236 E241 E242 | G236-G238 PolarHBondContact O-N 2.88Å; G238-E241 PolarHBondContact O-N 3.23Å; G238-E242 PolarHBondContact O-N 2.82Å |
| 239 | R | 88.6 | Confident | 85.8 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 176.2 | -178.6 | 58.1 | 178.8 | 168 | 2.8 | 112 | A230 G236 R237 E242 L243 | A230-R239 HydrophobicContact CB-CG 4.22Å; G236-R239 CarbonylContact O-C 3.49Å; G236-R239 PolarHBondContact O-N 3.34Å; G236-R239 VanDerWaalsContact O-N 3.08Å; R237-R239 VanDerWaalsContact C-N 3.35Å; R239-E242 IonicContact CZ-OE2 3.56Å; R239-E242 IonicContact NH1-OE1 2.79Å; R239-E242 PolarHBondContact NH1-OE1 2.65Å; R239-E242 IonicContact NH1-OE2 3.62Å; R239-E242 PolarHBondContact NH1-OE2 3.46Å; R239-E242 WeakPolarHBondContact O-CB 3.43Å; R239-E242 PolarHBondContact O-N 2.74Å; R239-L243 HydrophobicContact CG-CD1 4.03Å; R239-L243 HydrophobicContact CG-CG 4.43Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 WeakPolarHBondContact O-CG 3.43Å; R239-L243 PolarHBondContact O-N 3.41Å |
| 240 | L | 91.3 | Very high | 85.8 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 175.7 | -69.5 | 171 | 0 | 0 | 0 | 110.9 | I227 A230 M231 G236 R237 E242 L243 S244 D264 | I227-L240 HydrophobicContact CG2-CD2 4.05Å; A230-L240 HydrophobicContact CB-CD2 4.12Å; M231-L240 HydrophobicContact CG-CD1 4.37Å; M231-L240 HydrophobicContact CG-CD2 3.67Å; G236-L240 WeakPolarHBondContact O-CB 3.24Å; G236-L240 VanDerWaalsContact O-CG 3.28Å; G236-L240 WeakPolarHBondContact O-CG 3.23Å; G236-L240 PolarHBondContact O-N 2.77Å; R237-L240 PolarHBondContact O-N 3.27Å; L240-E242 VanDerWaalsContact C-N 3.35Å; L240-E242 PolarHBondContact O-N 2.86Å; L240-L243 PolarHBondContact O-N 3.16Å; L240-S244 WeakPolarHBondContact O-CB 3.47Å; L240-S244 PolarHBondContact O-N 2.8Å; L240-S244 PolarHBondContact O-OG 3.4Å; L240-D264 HydrophobicContact CD1-CB 4.06Å |
| 241 | E | 91.1 | Very high | 85.8 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 172.6 | -74.8 | -163.7 | 170.8 | 0 | 0 | 112.4 | R237 G238 S245 R259 A262 | R237-E241 PolarHBondContact O-N 3.33Å; G238-E241 PolarHBondContact O-N 3.23Å; E241-S245 WeakPolarHBondContact O-CB 3.14Å; E241-S245 PolarHBondContact O-N 3.18Å; E241-S245 PolarHBondContact O-OG 3Å; E241-R259 IonicContact OE1-CZ 2.93Å; E241-R259 IonicContact OE1-NH2 3.57Å; E241-R259 PolarHBondContact OE1-NH2 2.94Å; E241-R259 IonicContact OE2-NH2 3.9Å; E241-R259 PolarHBondContact OE2-NH2 3.19Å; E241-A262 HydrophobicContact CG-CB 4.48Å |
| 242 | E | 90.4 | Very high | 86 | Confident | 107 Ų | 107 | 57.9 Ų | 57.9 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 175.8 | -171.6 | -165.1 | 170.3 | 0 | 0 | 111.4 | G238 R239 L240 S245 K246 | G238-E242 PolarHBondContact O-N 2.82Å; R239-E242 IonicContact CZ-OE2 3.56Å; R239-E242 IonicContact NH1-OE1 2.79Å; R239-E242 PolarHBondContact NH1-OE1 2.65Å; R239-E242 IonicContact NH1-OE2 3.62Å; R239-E242 PolarHBondContact NH1-OE2 3.46Å; R239-E242 WeakPolarHBondContact O-CB 3.43Å; R239-E242 PolarHBondContact O-N 2.74Å; L240-E242 VanDerWaalsContact C-N 3.35Å; L240-E242 PolarHBondContact O-N 2.86Å; E242-S245 WeakPolarHBondContact O-CA 3.25Å; E242-S245 VanDerWaalsContact O-CB 3.31Å; E242-S245 WeakPolarHBondContact O-CB 3.11Å; E242-S245 PolarHBondContact O-N 3.31Å; E242-S245 VanDerWaalsContact O-N 3.17Å; E242-K246 PolarHBondContact O-N 2.82Å |
| 243 | L | 93.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 178.9 | -71.9 | 173.5 | 0 | 0 | 0 | 112.2 | E226 I227 A230 R239 L240 S245 K246 F247 | E226-L243 HydrophobicContact CB-CD1 4.37Å; E226-L243 HydrophobicContact CB-CD2 3.99Å; E226-L243 VanDerWaalsContact OE2-CD2 3.24Å; E226-L243 WeakPolarHBondContact OE2-CD2 3.34Å; I227-L243 HydrophobicContact CD1-CB 4.24Å; I227-L243 HydrophobicContact CG1-CB 3.5Å; I227-L243 HydrophobicContact CG1-CD1 4.18Å; I227-L243 HydrophobicContact CG1-CG 4.41Å; A230-L243 HydrophobicContact CB-CD1 3.62Å; R239-L243 HydrophobicContact CG-CD1 4.03Å; R239-L243 HydrophobicContact CG-CG 4.43Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 WeakPolarHBondContact O-CG 3.43Å; R239-L243 PolarHBondContact O-N 3.41Å; L240-L243 PolarHBondContact O-N 3.16Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 3.1Å; L243-K246 HydrophobicContact CD2-CD 4.41Å; L243-K246 CarbonylContact O-C 3.58Å; L243-K246 WeakPolarHBondContact O-CA 3.39Å; L243-K246 WeakPolarHBondContact O-CB 3.5Å; L243-K246 PolarHBondContact O-N 2.81Å; L243-K246 VanDerWaalsContact O-N 3.15Å; L243-F247 PolarHBondContact O-N 3.03Å |
| 244 | S | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 171.9 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | L240 K246 F247 F248 I263 | L240-S244 WeakPolarHBondContact O-CB 3.47Å; L240-S244 PolarHBondContact O-N 2.8Å; L240-S244 PolarHBondContact O-OG 3.4Å; S244-K246 VanDerWaalsContact C-N 3.34Å; S244-K246 PolarHBondContact O-N 2.61Å; S244-F247 PolarHBondContact O-N 3.24Å; S244-F248 WeakPolarHBondContact O-CD2 3.41Å; S244-F248 PolarHBondContact O-N 2.91Å; S244-I263 WeakPolarHBondContact OG-CB 3.28Å; S244-I263 PolarHBondContact OG-N 2.82Å |
| 245 | S | 93 | Very high | 87.7 | Confident | 13 Ų | 13 | 40 Ų | 40 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.1 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | T69 I71 E241 E242 L243 T249 | T69-S245 WeakPolarHBondContact O-CB 3.32Å; I71-S245 WeakPolarHBondContact CG1-OG 3.48Å; I71-S245 PolarHBondContact N-OG 3.21Å; E241-S245 WeakPolarHBondContact O-CB 3.14Å; E241-S245 PolarHBondContact O-N 3.18Å; E241-S245 PolarHBondContact O-OG 3Å; E242-S245 WeakPolarHBondContact O-CA 3.25Å; E242-S245 VanDerWaalsContact O-CB 3.31Å; E242-S245 WeakPolarHBondContact O-CB 3.11Å; E242-S245 PolarHBondContact O-N 3.31Å; E242-S245 VanDerWaalsContact O-N 3.17Å; L243-S245 VanDerWaalsContact C-N 3.3Å; L243-S245 PolarHBondContact O-N 3.1Å; S245-T249 VanDerWaalsContact O-CB 3.25Å; S245-T249 WeakPolarHBondContact O-CB 3.43Å; S245-T249 PolarHBondContact O-N 3.11Å; S245-T249 PolarHBondContact O-OG1 3.43Å |
| 246 | K | 92.1 | Very high | 88.8 | Confident | 88 Ų | 88 | 37.8 Ų | 37.8 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 173.5 | -173.1 | -176.9 | 174 | -169.2 | 0 | 111.3 | V223 E226 E242 L243 S244 T249 T250 | V223-K246 HydrophobicContact CG1-CB 4.18Å; V223-K246 HydrophobicContact CG1-CD 4.24Å; V223-K246 HydrophobicContact CG1-CG 4.16Å; V223-K246 HydrophobicContact CG2-CD 3.91Å; V223-K246 HydrophobicContact CG2-CG 3.91Å; E226-K246 IonicContact OE1-NZ 2.8Å; E226-K246 PolarHBondContact OE1-NZ 2.94Å; E226-K246 IonicContact OE2-NZ 3.77Å; E226-K246 PolarHBondContact OE2-NZ 2.62Å; E242-K246 PolarHBondContact O-N 2.82Å; L243-K246 HydrophobicContact CD2-CD 4.41Å; L243-K246 CarbonylContact O-C 3.58Å; L243-K246 WeakPolarHBondContact O-CA 3.39Å; L243-K246 WeakPolarHBondContact O-CB 3.5Å; L243-K246 PolarHBondContact O-N 2.81Å; L243-K246 VanDerWaalsContact O-N 3.15Å; S244-K246 VanDerWaalsContact C-N 3.34Å; S244-K246 PolarHBondContact O-N 2.61Å; K246-T249 PolarHBondContact O-N 2.58Å; K246-T250 WeakPolarHBondContact O-CB 3.38Å; K246-T250 PolarHBondContact O-N 3Å; K246-T250 PolarHBondContact O-OG1 3.42Å |
| 247 | F | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -53.3 | 178.3 | 178.5 | -98.3 | 0 | 0 | 0 | 111.3 | V223 L224 I227 L243 S244 T249 T250 I251 H253 I263 K272 M275 L276 | V223-F247 HydrophobicContact CB-CD2 4.46Å; V223-F247 HydrophobicContact CG1-CB 3.75Å; V223-F247 HydrophobicContact CG1-CD2 4.47Å; L224-F247 HydrophobicContact CD1-CE2 3.93Å; L224-F247 HydrophobicContact CD2-CD2 3.61Å; L224-F247 HydrophobicContact CD2-CE2 3.58Å; L224-F247 HydrophobicContact CD2-CG 4.26Å; L224-F247 HydrophobicContact CD2-CZ 4.2Å; L224-F247 HydrophobicContact CG-CD2 3.86Å; L224-F247 HydrophobicContact CG-CE2 3.62Å; I227-F247 HydrophobicContact CD1-CB 4.19Å; L243-F247 PolarHBondContact O-N 3.03Å; S244-F247 PolarHBondContact O-N 3.24Å; F247-T249 VanDerWaalsContact C-N 3.26Å; F247-T249 PolarHBondContact O-N 3.06Å; F247-T250 CarbonylContact O-C 3.52Å; F247-T250 WeakPolarHBondContact O-CA 3.11Å; F247-T250 WeakPolarHBondContact O-CB 3.3Å; F247-T250 PolarHBondContact O-N 3.03Å; F247-I251 HydrophobicContact CE2-CG1 4.05Å; F247-I251 HydrophobicContact CZ-CB 4.3Å; F247-I251 HydrophobicContact CZ-CG1 4.23Å; F247-I251 PolarHBondContact O-N 2.94Å; F247-H253 AromaticContact CE1-CE1 3.68Å; F247-I263 HydrophobicContact CB-CD1 4.08Å; F247-I263 HydrophobicContact CD1-CD1 3.5Å; F247-I263 VanDerWaalsContact CD1-CD1 3.5Å; F247-I263 HydrophobicContact CE1-CD1 4.1Å; F247-I263 HydrophobicContact CG-CD1 3.83Å; F247-K272 HydrophobicContact CE1-CB 4.37Å; F247-K272 HydrophobicContact CE1-CD 3.94Å; F247-K272 HydrophobicContact CE1-CG 4.16Å; F247-K272 HydrophobicContact CZ-CB 4.01Å; F247-K272 HydrophobicContact CZ-CD 4.22Å; F247-K272 HydrophobicContact CZ-CG 4.31Å; F247-M275 HydrophobicContact CE1-CE 4.43Å; F247-M275 HydrophobicContact CZ-CE 4.24Å; F247-L276 HydrophobicContact CE2-CD1 4.17Å |
| 248 | F | 92.3 | Very high | 90 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.3 | -22.3 | 179.5 | -60.2 | -53 | 0 | 0 | 0 | 113.9 | N67 T69 I71 S244 I251 H253 F255 P260 P261 I263 | N67-F248 PolarHBondContact ND2-O 3.12Å; T69-F248 HydrophobicContact CG2-CB 3.74Å; T69-F248 HydrophobicContact CG2-CD2 4.48Å; T69-F248 VanDerWaalsContact OG1-C 3.31Å; T69-F248 PolarHBondContact OG1-O 3.46Å; I71-F248 HydrophobicContact CD1-CD2 4.19Å; I71-F248 HydrophobicContact CD1-CE2 4.13Å; S244-F248 WeakPolarHBondContact O-CD2 3.41Å; S244-F248 PolarHBondContact O-N 2.91Å; F248-I251 CarbonylContact O-C 3.55Å; F248-H253 HydrophobicContact CD1-CB 4.12Å; F248-H253 AromaticContact CD1-CE1 3.98Å; F248-H253 AromaticContact CD1-CG 3.79Å; F248-H253 AromaticContact CD1-ND1 3.62Å; F248-F255 HydrophobicContact CB-CE2 4.43Å; F248-F255 AromaticContact CD1-CE2 3.83Å; F248-F255 HydrophobicContact CD1-CE2 3.83Å; F248-F255 AromaticContact CD1-CZ 3.56Å; F248-F255 HydrophobicContact CD1-CZ 3.56Å; F248-F255 HydrophobicContact CD2-CE2 4.32Å; F248-F255 HydrophobicContact CD2-CZ 4.39Å; F248-F255 HydrophobicContact CE1-CE1 4.45Å; F248-F255 HydrophobicContact CE1-CE2 4.18Å; F248-F255 AromaticContact CE1-CZ 3.47Å; F248-F255 HydrophobicContact CE1-CZ 3.47Å; F248-F255 VanDerWaalsContact CE1-CZ 3.47Å; F248-F255 HydrophobicContact CE2-CZ 4.32Å; F248-F255 AromaticContact CG-CE2 3.92Å; F248-F255 HydrophobicContact CG-CE2 3.92Å; F248-F255 HydrophobicContact CG-CZ 4.05Å; F248-F255 AromaticContact CZ-CZ 3.86Å; F248-F255 HydrophobicContact CZ-CZ 3.86Å; F248-P260 HydrophobicContact CD2-CB 4.09Å; F248-P260 HydrophobicContact CE2-CB 4.34Å; F248-P261 WeakPolarHBondContact CE2-O 3.23Å; F248-P261 HydrophobicContact CZ-CG 4.41Å; F248-I263 HydrophobicContact CE1-CD1 4.41Å; F248-I263 HydrophobicContact CE2-CD1 4.34Å; F248-I263 HydrophobicContact CE2-CG1 4.32Å; F248-I263 HydrophobicContact CZ-CD1 3.9Å; F248-I263 HydrophobicContact CZ-CG1 3.95Å |
| 249 | T | 90.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.08 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | 168.3 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | N67 T69 I148 S245 K246 F247 | N67-T249 WeakPolarHBondContact ND2-CA 3.43Å; N67-T249 PolarHBondContact ND2-O 3.32Å; N67-T249 WeakPolarHBondContact O-CG2 3.34Å; T69-T249 PolarHBondContact N-OG1 2.88Å; T69-T249 PolarHBondContact O-OG1 2.75Å; T69-T249 PolarHBondContact OG1-N 3.27Å; I148-T249 WeakPolarHBondContact CD1-O 3.31Å; S245-T249 VanDerWaalsContact O-CB 3.25Å; S245-T249 WeakPolarHBondContact O-CB 3.43Å; S245-T249 PolarHBondContact O-N 3.11Å; S245-T249 PolarHBondContact O-OG1 3.43Å; K246-T249 PolarHBondContact O-N 2.58Å; F247-T249 VanDerWaalsContact C-N 3.26Å; F247-T249 PolarHBondContact O-N 3.06Å |
| 250 | T | 88.7 | Confident | 90.2 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.9 | -41.5 | -179.5 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | Q216 K219 K246 F247 P252 | Q216-T250 PolarHBondContact NE2-O 3.24Å; K219-T250 HydrophobicContact CB-CG2 3.72Å; K246-T250 WeakPolarHBondContact O-CB 3.38Å; K246-T250 PolarHBondContact O-N 3Å; K246-T250 PolarHBondContact O-OG1 3.42Å; F247-T250 CarbonylContact O-C 3.52Å; F247-T250 WeakPolarHBondContact O-CA 3.11Å; F247-T250 WeakPolarHBondContact O-CB 3.3Å; F247-T250 PolarHBondContact O-N 3.03Å; T250-P252 VanDerWaalsContact O-CD 3.28Å; T250-P252 WeakPolarHBondContact O-CD 3.11Å |
| 251 | I | 89.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -116.6 | 93.9 | -178.8 | -51.6 | -63 | 0 | 0 | 0 | 107.6 | L202 M207 Q216 F247 F248 H253 M275 L276 L279 | L202-I251 HydrophobicContact CD2-CG2 3.92Å; M207-I251 HydrophobicContact SD-CG2 4.41Å; Q216-I251 HydrophobicContact CG-CD1 4.49Å; F247-I251 HydrophobicContact CE2-CG1 4.05Å; F247-I251 HydrophobicContact CZ-CB 4.3Å; F247-I251 HydrophobicContact CZ-CG1 4.23Å; F247-I251 PolarHBondContact O-N 2.94Å; F248-I251 CarbonylContact O-C 3.55Å; I251-H253 PolarHBondContact O-N 2.64Å; I251-H253 VanDerWaalsContact O-N 3.16Å; I251-H253 PolarHBondContact O-ND1 2.97Å; I251-M275 HydrophobicContact CG2-SD 4.41Å; I251-L276 HydrophobicContact CD1-CD2 3.85Å; I251-L276 HydrophobicContact CG1-CD2 3.99Å; I251-L279 HydrophobicContact CG2-CD1 4.48Å |
| 252 | P | 88.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -53.7 | 117.4 | -178.5 | -29 | 32 | 0 | 0 | 0 | 113.9 | I148 D203 K206 M207 T250 | I148-P252 HydrophobicContact CD1-CG 4.19Å; I148-P252 HydrophobicContact CG1-CG 4.37Å; D203-P252 HydrophobicContact CB-CB 4.15Å; D203-P252 PolarHBondContact N-O 2.9Å; K206-P252 HydrophobicContact CB-CB 4.3Å; K206-P252 HydrophobicContact CB-CG 4.42Å; M207-P252 HydrophobicContact CE-CB 4.23Å; M207-P252 WeakPolarHBondContact CE-O 3.5Å; M207-P252 HydrophobicContact CG-CG 4.27Å; M207-P252 HydrophobicContact SD-CB 4.49Å; M207-P252 HydrophobicContact SD-CG 4.26Å; T250-P252 VanDerWaalsContact O-CD 3.28Å; T250-P252 WeakPolarHBondContact O-CD 3.11Å | ||
| 253 | H | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -114.3 | 144.6 | 174.4 | -77.5 | 64 | 0 | 0 | 0 | 111.7 | N76 V99 D201 F247 F248 I251 F255 K272 M275 | N76-H253 PolarHBondContact ND2-O 3.04Å; V99-H253 WeakPolarHBondContact CG1-O 3.47Å; D201-H253 CarbonylContact O-C 3.55Å; D201-H253 VanDerWaalsContact O-CA 3.24Å; D201-H253 WeakPolarHBondContact O-CA 3.13Å; D201-H253 WeakPolarHBondContact O-CB 3.39Å; F247-H253 AromaticContact CE1-CE1 3.68Å; F248-H253 HydrophobicContact CD1-CB 4.12Å; F248-H253 AromaticContact CD1-CE1 3.98Å; F248-H253 AromaticContact CD1-CG 3.79Å; F248-H253 AromaticContact CD1-ND1 3.62Å; I251-H253 PolarHBondContact O-N 2.64Å; I251-H253 VanDerWaalsContact O-N 3.16Å; I251-H253 PolarHBondContact O-ND1 2.97Å; H253-F255 HydrophobicContact CB-CD2 4.08Å; H253-F255 HydrophobicContact CB-CE1 4.02Å; H253-F255 HydrophobicContact CB-CE2 3.3Å; H253-F255 HydrophobicContact CB-CZ 3.26Å; H253-F255 AromaticContact CD2-CZ 3.88Å; H253-F255 AromaticContact CG-CZ 3.76Å; H253-K272 PolarHBondContact CD2-NZ 3.06Å; H253-K272 PolarHBondContact NE2-NZ 2.9Å; H253-M275 WeakPolarHBondContact CE1-CE 3.18Å; H253-M275 WeakPolarHBondContact NE2-CE 3.23Å |
| 254 | N | 87.9 | Confident | 90.4 | Very high | 63 Ų | 63 | 39 Ų | 39 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | trans | -96.8 | 103.6 | 173.4 | -176.9 | 5.8 | 0 | 0 | 0 | 111 | D201 G256 | D201-N254 PolarHBondContact O-N 3.41Å; N254-G256 PolarHBondContact OD1-N 3.29Å | ||
| 255 | F | 87.2 | Confident | 90.1 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | trans | -96.7 | 13.4 | 175.8 | -58.6 | -68.1 | 0 | 0 | 0 | 113.5 | F248 H253 R257 S258 P260 P261 | F248-F255 HydrophobicContact CB-CE2 4.43Å; F248-F255 AromaticContact CD1-CE2 3.83Å; F248-F255 HydrophobicContact CD1-CE2 3.83Å; F248-F255 AromaticContact CD1-CZ 3.56Å; F248-F255 HydrophobicContact CD1-CZ 3.56Å; F248-F255 HydrophobicContact CD2-CE2 4.32Å; F248-F255 HydrophobicContact CD2-CZ 4.39Å; F248-F255 HydrophobicContact CE1-CE1 4.45Å; F248-F255 HydrophobicContact CE1-CE2 4.18Å; F248-F255 AromaticContact CE1-CZ 3.47Å; F248-F255 HydrophobicContact CE1-CZ 3.47Å; F248-F255 VanDerWaalsContact CE1-CZ 3.47Å; F248-F255 HydrophobicContact CE2-CZ 4.32Å; F248-F255 AromaticContact CG-CE2 3.92Å; F248-F255 HydrophobicContact CG-CE2 3.92Å; F248-F255 HydrophobicContact CG-CZ 4.05Å; F248-F255 AromaticContact CZ-CZ 3.86Å; F248-F255 HydrophobicContact CZ-CZ 3.86Å; H253-F255 HydrophobicContact CB-CD2 4.08Å; H253-F255 HydrophobicContact CB-CE1 4.02Å; H253-F255 HydrophobicContact CB-CE2 3.3Å; H253-F255 HydrophobicContact CB-CZ 3.26Å; H253-F255 AromaticContact CD2-CZ 3.88Å; H253-F255 AromaticContact CG-CZ 3.76Å; F255-R257 PolarHBondContact O-N 3.42Å; F255-S258 WeakPolarHBondContact O-CB 3.45Å; F255-S258 PolarHBondContact O-N 3.45Å; F255-S258 VanDerWaalsContact O-N 3.11Å; F255-P260 HydrophobicContact CD2-CB 3.52Å; F255-P260 HydrophobicContact CD2-CG 3.68Å; F255-P260 HydrophobicContact CE2-CB 3.52Å; F255-P260 HydrophobicContact CE2-CG 4.07Å; F255-P260 HydrophobicContact CG-CB 4.16Å; F255-P260 HydrophobicContact CG-CG 4.41Å; F255-P260 HydrophobicContact CZ-CB 4.17Å; F255-P261 VanDerWaalsContact CE1-CD 3.44Å; F255-P261 HydrophobicContact CE1-CG 4.1Å | ||
| 256 | G | 87.3 | Confident | 89.6 | Confident | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | -136.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R98 N254 S258 | R98-G256 PolarHBondContact NE-O 2.84Å; R98-G256 PolarHBondContact NH2-O 3.48Å; N254-G256 PolarHBondContact OD1-N 3.29Å; G256-S258 VanDerWaalsContact C-N 3.34Å |
| 257 | R | 86.1 | Confident | 89.2 | Confident | 201 Ų | 201 | 48.5 Ų | 48.5 | 76% | 0.758 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.6 | 177.3 | -66.7 | -171.8 | 173.8 | -176.7 | -0.2 | 114.8 | N74 E101 F255 | N74-R257 PolarHBondContact ND2-O 3.25Å; E101-R257 IonicContact OE1-NE 2.78Å; F255-R257 PolarHBondContact O-N 3.42Å |
| 258 | S | 88.9 | Confident | 89 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 58% | 0.58 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -73.5 | 152.7 | 179.7 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | N74 R98 F255 G256 | N74-S258 PolarHBondContact OD1-O 3.23Å; R98-S258 PolarHBondContact NH2-O 3.42Å; F255-S258 WeakPolarHBondContact O-CB 3.45Å; F255-S258 PolarHBondContact O-N 3.45Å; F255-S258 VanDerWaalsContact O-N 3.11Å; G256-S258 VanDerWaalsContact C-N 3.34Å |
| 259 | R | 88.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 50.5 Ų | 50.5 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 131.8 | 170.8 | -173.2 | -178.1 | -178.8 | -154.3 | -5.7 | 108.6 | I71 N74 E241 | I71-R259 HydrophobicContact CG2-CG 4.31Å; I71-R259 PolarHBondContact O-NE 2.84Å; N74-R259 HydrophobicContact CB-CB 4.48Å; N74-R259 HydrophobicContact CB-CG 4.39Å; N74-R259 WeakPolarHBondContact OD1-CA 3.14Å; E241-R259 IonicContact OE1-CZ 2.93Å; E241-R259 IonicContact OE1-NH2 3.57Å; E241-R259 PolarHBondContact OE1-NH2 2.94Å; E241-R259 IonicContact OE2-NH2 3.9Å; E241-R259 PolarHBondContact OE2-NH2 3.19Å |
| 260 | P | 90.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 136.5 | 172.3 | -18.3 | 28.5 | 0 | 0 | 0 | 110.3 | T69 I71 N76 F248 F255 | T69-P260 HydrophobicContact CG2-CB 4.33Å; T69-P260 HydrophobicContact CG2-CG 3.87Å; I71-P260 HydrophobicContact CG1-CB 4.04Å; N76-P260 HydrophobicContact CB-CG 4.27Å; F248-P260 HydrophobicContact CD2-CB 4.09Å; F248-P260 HydrophobicContact CE2-CB 4.34Å; F255-P260 HydrophobicContact CD2-CB 3.52Å; F255-P260 HydrophobicContact CD2-CG 3.68Å; F255-P260 HydrophobicContact CE2-CB 3.52Å; F255-P260 HydrophobicContact CE2-CG 4.07Å; F255-P260 HydrophobicContact CG-CB 4.16Å; F255-P260 HydrophobicContact CG-CG 4.41Å; F255-P260 HydrophobicContact CZ-CB 4.17Å |
| 261 | P | 92.1 | Very high | 88.4 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 152 | -177.1 | 30 | -34.5 | 0 | 0 | 0 | 111.2 | F248 F255 | F248-P261 WeakPolarHBondContact CE2-O 3.23Å; F248-P261 HydrophobicContact CZ-CG 4.41Å; F255-P261 VanDerWaalsContact CE1-CD 3.44Å; F255-P261 HydrophobicContact CE1-CG 4.1Å |
| 262 | A | 93.1 | Very high | 88.4 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 144 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | E241 D264 | E241-A262 HydrophobicContact CG-CB 4.48Å; A262-D264 HydrophobicContact CB-CB 4.35Å; A262-D264 PolarHBondContact O-N 3.2Å |
| 263 | I | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | trans | -92.9 | 88.8 | 168.5 | -54.9 | 172.8 | 0 | 0 | 0 | 106.1 | L224 I227 S244 F247 F248 I268 V269 K272 | L224-I263 HydrophobicContact CD2-CD1 4.37Å; I227-I263 HydrophobicContact CD1-CB 4.26Å; I227-I263 HydrophobicContact CD1-CD1 3.94Å; I227-I263 HydrophobicContact CD1-CG2 4.31Å; I227-I263 HydrophobicContact CG2-CB 4.39Å; I227-I263 HydrophobicContact CG2-CG2 3.85Å; S244-I263 WeakPolarHBondContact OG-CB 3.28Å; S244-I263 PolarHBondContact OG-N 2.82Å; F247-I263 HydrophobicContact CB-CD1 4.08Å; F247-I263 HydrophobicContact CD1-CD1 3.5Å; F247-I263 VanDerWaalsContact CD1-CD1 3.5Å; F247-I263 HydrophobicContact CE1-CD1 4.1Å; F247-I263 HydrophobicContact CG-CD1 3.83Å; F248-I263 HydrophobicContact CE1-CD1 4.41Å; F248-I263 HydrophobicContact CE2-CD1 4.34Å; F248-I263 HydrophobicContact CE2-CG1 4.32Å; F248-I263 HydrophobicContact CZ-CD1 3.9Å; F248-I263 HydrophobicContact CZ-CG1 3.95Å; I263-I268 HydrophobicContact CB-CG2 4.27Å; I263-I268 HydrophobicContact CG1-CG2 4.12Å; I263-I268 HydrophobicContact CG2-CB 4.39Å; I263-I268 HydrophobicContact CG2-CG2 3.95Å; I263-V269 HydrophobicContact CG2-CG2 3.54Å; I263-K272 HydrophobicContact CD1-CG 4.22Å | ||
| 264 | D | 90.1 | Very high | 88.1 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | trans | -130 | 2.8 | -170.9 | 64.5 | -2.9 | 0 | 0 | 0 | 114.7 | L240 A262 | L240-D264 HydrophobicContact CD1-CB 4.06Å; A262-D264 HydrophobicContact CB-CB 4.35Å; A262-D264 PolarHBondContact O-N 3.2Å | ||
| 265 | T | 88.1 | Confident | 88.2 | Confident | 51 Ų | 51 | 61 Ų | 61 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -124.9 | 157.5 | 171.4 | 89.1 | 0 | 0 | 0 | 0 | 111.3 | E267 I268 V269 | T265-E267 WeakPolarHBondContact CB-OE2 3.36Å; T265-E267 PolarHBondContact O-N 3.02Å; T265-E267 PolarHBondContact OG1-OE2 2.92Å; T265-I268 HydrophobicContact CG2-CD1 4.3Å; T265-I268 PolarHBondContact O-N 3.46Å; T265-I268 PolarHBondContact OG1-N 3Å; T265-V269 PolarHBondContact O-N 3.45Å |
| 266 | K | 83.1 | Confident | 88.3 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.9 | -35.9 | -176.6 | -72.1 | -171.6 | 176.2 | -172.8 | 0 | 110.2 | M231 I268 V269 E270 | M231-K266 HydrophobicContact CE-CB 4.49Å; M231-K266 HydrophobicContact CE-CG 3.81Å; K266-I268 VanDerWaalsContact C-N 3.33Å; K266-I268 PolarHBondContact O-N 3.41Å; K266-V269 WeakPolarHBondContact O-CB 3.09Å; K266-V269 PolarHBondContact O-N 2.75Å; K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 2.84Å |
| 267 | E | 83.8 | Confident | 88.2 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 178.9 | -56.9 | 71.2 | -152.2 | 0 | 0 | 111.2 | T265 E270 Q271 | T265-E267 WeakPolarHBondContact CB-OE2 3.36Å; T265-E267 PolarHBondContact O-N 3.02Å; T265-E267 PolarHBondContact OG1-OE2 2.92Å; E267-E270 PolarHBondContact O-N 2.88Å; E267-Q271 VanDerWaalsContact O-CG 3.27Å; E267-Q271 WeakPolarHBondContact O-CG 3.42Å; E267-Q271 PolarHBondContact O-N 3.02Å |
| 268 | I | 89.3 | Confident | 88.4 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 176.5 | -58 | 170.9 | 0 | 0 | 0 | 110.3 | I263 T265 K266 E270 Q271 K272 | I263-I268 HydrophobicContact CB-CG2 4.27Å; I263-I268 HydrophobicContact CG1-CG2 4.12Å; I263-I268 HydrophobicContact CG2-CB 4.39Å; I263-I268 HydrophobicContact CG2-CG2 3.95Å; T265-I268 HydrophobicContact CG2-CD1 4.3Å; T265-I268 PolarHBondContact O-N 3.46Å; T265-I268 PolarHBondContact OG1-N 3Å; K266-I268 VanDerWaalsContact C-N 3.33Å; K266-I268 PolarHBondContact O-N 3.41Å; I268-E270 PolarHBondContact O-N 3.26Å; I268-Q271 PolarHBondContact O-N 3.12Å; I268-K272 HydrophobicContact CG2-CG 4.4Å; I268-K272 WeakPolarHBondContact O-CG 3.49Å; I268-K272 PolarHBondContact O-N 3.09Å |
| 269 | V | 88.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -49.8 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | I227 M231 I263 T265 K266 Q271 K272 K273 | I227-V269 HydrophobicContact CG2-CG2 3.82Å; M231-V269 HydrophobicContact SD-CG2 3.68Å; I263-V269 HydrophobicContact CG2-CG2 3.54Å; T265-V269 PolarHBondContact O-N 3.45Å; K266-V269 WeakPolarHBondContact O-CB 3.09Å; K266-V269 PolarHBondContact O-N 2.75Å; V269-Q271 PolarHBondContact O-N 3.02Å; V269-K272 PolarHBondContact O-N 3.36Å; V269-K272 VanDerWaalsContact O-N 3.09Å; V269-K273 HydrophobicContact CG1-CD 4.2Å; V269-K273 HydrophobicContact CG1-CG 4.3Å; V269-K273 WeakPolarHBondContact O-CG 3.45Å; V269-K273 PolarHBondContact O-N 3.22Å |
| 270 | E | 82.8 | Confident | 88.3 | Confident | 41 Ų | 41 | 40 Ų | 40 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 179.6 | -68.9 | -50.6 | 132.6 | 0 | 0 | 112.4 | K266 E267 I268 K272 K273 E274 H396 S397 G398 | K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 2.84Å; E267-E270 PolarHBondContact O-N 2.88Å; I268-E270 PolarHBondContact O-N 3.26Å; E270-K272 VanDerWaalsContact C-N 3.3Å; E270-K272 PolarHBondContact O-N 2.85Å; E270-K273 PolarHBondContact O-N 3.16Å; E270-K273 IonicContact OE1-NZ 3.75Å; E270-K273 PolarHBondContact OE1-NZ 3.3Å; E270-E274 PolarHBondContact O-N 3.21Å; E270-H396 VanDerWaalsContact OE2-O 3.08Å; E270-S397 VanDerWaalsContact OE2-CA 3.29Å; E270-S397 WeakPolarHBondContact OE2-CA 3.41Å; E270-G398 PolarHBondContact OE2-N 2.85Å |
| 271 | Q | 86 | Confident | 88.3 | Confident | 124 Ų | 124 | 40.5 Ų | 40.5 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.5 | -39.4 | 173.4 | -73 | 171.4 | 9.5 | 0 | 0 | 112.5 | E267 I268 V269 M275 | E267-Q271 VanDerWaalsContact O-CG 3.27Å; E267-Q271 WeakPolarHBondContact O-CG 3.42Å; E267-Q271 PolarHBondContact O-N 3.02Å; I268-Q271 PolarHBondContact O-N 3.12Å; V269-Q271 PolarHBondContact O-N 3.02Å; Q271-M275 WeakPolarHBondContact O-CB 3.16Å; Q271-M275 PolarHBondContact O-N 3.16Å |
| 272 | K | 90.6 | Very high | 88.1 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 10% | 0.104 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.8 | -32.6 | 178 | -65.3 | -56.2 | 178.7 | -172.7 | 0 | 112.5 | L224 F247 H253 I263 I268 V269 E270 M275 L276 | L224-K272 HydrophobicContact CD1-CB 3.95Å; L224-K272 HydrophobicContact CD2-CB 3.9Å; F247-K272 HydrophobicContact CE1-CB 4.37Å; F247-K272 HydrophobicContact CE1-CD 3.94Å; F247-K272 HydrophobicContact CE1-CG 4.16Å; F247-K272 HydrophobicContact CZ-CB 4.01Å; F247-K272 HydrophobicContact CZ-CD 4.22Å; F247-K272 HydrophobicContact CZ-CG 4.31Å; H253-K272 PolarHBondContact CD2-NZ 3.06Å; H253-K272 PolarHBondContact NE2-NZ 2.9Å; I263-K272 HydrophobicContact CD1-CG 4.22Å; I268-K272 HydrophobicContact CG2-CG 4.4Å; I268-K272 WeakPolarHBondContact O-CG 3.49Å; I268-K272 PolarHBondContact O-N 3.09Å; V269-K272 PolarHBondContact O-N 3.36Å; V269-K272 VanDerWaalsContact O-N 3.09Å; E270-K272 VanDerWaalsContact C-N 3.3Å; E270-K272 PolarHBondContact O-N 2.85Å; K272-M275 HydrophobicContact CD-CE 3.33Å; K272-L276 PolarHBondContact O-N 3.05Å; K272-L276 VanDerWaalsContact O-N 3.08Å |
| 273 | K | 86.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 171.1 | -68.5 | -179.4 | 179.9 | 162.7 | 0 | 110.9 | F26 L224 E228 V269 E270 M275 L276 M277 H396 | F26-K273 HydrophobicContact CE2-CB 4.2Å; F26-K273 HydrophobicContact CE2-CD 4.12Å; F26-K273 HydrophobicContact CE2-CG 3.85Å; L224-K273 HydrophobicContact CD1-CB 4.34Å; L224-K273 HydrophobicContact CD1-CG 3.7Å; E228-K273 IonicContact OE1-NZ 3.83Å; E228-K273 WeakPolarHBondContact OE2-CE 3.13Å; E228-K273 IonicContact OE2-NZ 3.5Å; E228-K273 PolarHBondContact OE2-NZ 2.99Å; V269-K273 HydrophobicContact CG1-CD 4.2Å; V269-K273 HydrophobicContact CG1-CG 4.3Å; V269-K273 WeakPolarHBondContact O-CG 3.45Å; V269-K273 PolarHBondContact O-N 3.22Å; E270-K273 PolarHBondContact O-N 3.16Å; E270-K273 IonicContact OE1-NZ 3.75Å; E270-K273 PolarHBondContact OE1-NZ 3.3Å; K273-M275 VanDerWaalsContact C-N 3.29Å; K273-M275 PolarHBondContact O-N 3.17Å; K273-L276 PolarHBondContact O-N 3.17Å; K273-M277 WeakPolarHBondContact O-CG 2.97Å; K273-M277 PolarHBondContact O-N 3.29Å; K273-H396 HydrophobicContact CD-CB 4.03Å; K273-H396 WeakPolarHBondContact CD-O 3.14Å; K273-H396 WeakPolarHBondContact CE-O 3.43Å; K273-H396 PolarHBondContact NZ-O 3.43Å |
| 274 | E | 84.8 | Confident | 87.5 | Confident | 112 Ų | 112 | 39.3 Ų | 39.3 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 175.9 | -173.5 | -178.8 | 179.7 | 0 | 0 | 111.2 | E270 L276 M277 V278 | E270-E274 PolarHBondContact O-N 3.21Å; E274-L276 PolarHBondContact O-N 3.19Å; E274-M277 WeakPolarHBondContact O-CB 3.32Å; E274-M277 PolarHBondContact O-N 2.9Å; E274-M277 VanDerWaalsContact O-N 3.15Å; E274-V278 WeakPolarHBondContact O-CG2 3.26Å; E274-V278 PolarHBondContact O-N 3.04Å |
| 275 | M | 89.8 | Confident | 87.4 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 176.2 | 172 | -107.2 | -73.4 | 0 | 0 | 113.3 | M200 L202 F247 I251 H253 Q271 K272 K273 M277 V278 L279 | M200-M275 HydrophobicContact CB-CG 3.92Å; M200-M275 HydrophobicContact CE-CG 4.31Å; M200-M275 HydrophobicContact CG-CG 4.21Å; M200-M275 HydrophobicContact SD-CB 3.88Å; M200-M275 HydrophobicContact SD-CG 3.53Å; M200-M275 VanDerWaalsContact SD-CG 3.53Å; L202-M275 HydrophobicContact CD1-CG 4.39Å; L202-M275 HydrophobicContact CD1-SD 4.35Å; L202-M275 HydrophobicContact CD2-CE 4.13Å; L202-M275 HydrophobicContact CD2-SD 3.81Å; F247-M275 HydrophobicContact CE1-CE 4.43Å; F247-M275 HydrophobicContact CZ-CE 4.24Å; I251-M275 HydrophobicContact CG2-SD 4.41Å; H253-M275 WeakPolarHBondContact CE1-CE 3.18Å; H253-M275 WeakPolarHBondContact NE2-CE 3.23Å; Q271-M275 WeakPolarHBondContact O-CB 3.16Å; Q271-M275 PolarHBondContact O-N 3.16Å; K272-M275 HydrophobicContact CD-CE 3.33Å; K273-M275 VanDerWaalsContact C-N 3.29Å; K273-M275 PolarHBondContact O-N 3.17Å; M275-M277 PolarHBondContact O-N 2.87Å; M275-V278 PolarHBondContact O-N 2.77Å; M275-L279 WeakPolarHBondContact O-CG 2.78Å; M275-L279 PolarHBondContact O-N 3.35Å; M275-L279 HydrophobicContact SD-CD1 3.91Å |
| 276 | L | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.6 | -31.3 | 174.9 | -75 | -176.9 | 0 | 0 | 0 | 112.4 | I217 F221 L224 F247 I251 K272 K273 E274 L279 A280 | I217-L276 HydrophobicContact CG2-CD2 4.36Å; F221-L276 HydrophobicContact CB-CD1 4.48Å; F221-L276 HydrophobicContact CD1-CB 3.85Å; F221-L276 HydrophobicContact CD1-CD1 3.38Å; F221-L276 HydrophobicContact CD1-CG 4.29Å; F221-L276 HydrophobicContact CE1-CB 3.28Å; F221-L276 HydrophobicContact CE1-CD1 3.78Å; F221-L276 HydrophobicContact CE1-CG 4.2Å; F221-L276 HydrophobicContact CE2-CB 4.49Å; F221-L276 HydrophobicContact CG-CD1 3.95Å; F221-L276 HydrophobicContact CZ-CB 3.65Å; L224-L276 HydrophobicContact CD1-CD1 3.63Å; L224-L276 HydrophobicContact CD1-CG 4.39Å; L224-L276 HydrophobicContact CG-CD1 4.34Å; F247-L276 HydrophobicContact CE2-CD1 4.17Å; I251-L276 HydrophobicContact CD1-CD2 3.85Å; I251-L276 HydrophobicContact CG1-CD2 3.99Å; K272-L276 PolarHBondContact O-N 3.05Å; K272-L276 VanDerWaalsContact O-N 3.08Å; K273-L276 PolarHBondContact O-N 3.17Å; E274-L276 PolarHBondContact O-N 3.19Å; L276-L279 HydrophobicContact CD2-CD1 4.14Å; L276-L279 WeakPolarHBondContact O-CB 3.35Å; L276-L279 PolarHBondContact O-N 2.83Å; L276-A280 PolarHBondContact O-N 2.89Å |
| 277 | M | 86.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.064 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 174.2 | -71.1 | -52.6 | -51.6 | 0 | 0 | 112.4 | T29 F221 K273 E274 M275 L279 A280 D281 M394 | T29-M277 HydrophobicContact CG2-CE 4.36Å; F221-M277 HydrophobicContact CE1-CG 4.42Å; F221-M277 HydrophobicContact CE1-SD 3.94Å; F221-M277 HydrophobicContact CE2-SD 4.5Å; F221-M277 HydrophobicContact CZ-CG 4.36Å; F221-M277 HydrophobicContact CZ-SD 3.47Å; F221-M277 WeakPolarHBondContact CZ-SD 3.2Å; K273-M277 WeakPolarHBondContact O-CG 2.97Å; K273-M277 PolarHBondContact O-N 3.29Å; E274-M277 WeakPolarHBondContact O-CB 3.32Å; E274-M277 PolarHBondContact O-N 2.9Å; E274-M277 VanDerWaalsContact O-N 3.15Å; M275-M277 PolarHBondContact O-N 2.87Å; M277-L279 PolarHBondContact O-N 2.86Å; M277-A280 PolarHBondContact O-N 2.97Å; M277-A280 VanDerWaalsContact O-N 3.17Å; M277-D281 PolarHBondContact O-N 2.79Å; M277-M394 HydrophobicContact CE-CE 3.16Å; M277-M394 HydrophobicContact CE-CG 4.44Å; M277-M394 HydrophobicContact CE-SD 3.39Å; M277-M394 WeakPolarHBondContact CE-SD 3.45Å; M277-M394 HydrophobicContact CG-CE 3.84Å; M277-M394 HydrophobicContact SD-CE 3.13Å; M277-M394 WeakPolarHBondContact SD-CE 3.03Å; M277-M394 HydrophobicContact SD-SD 4.16Å |
| 278 | V | 89.6 | Confident | 87.5 | Confident | 13 Ų | 13 | 24.5 Ų | 24.5 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 110 | M200 E274 M275 D281 I282 A381 V382 | M200-V278 HydrophobicContact CE-CB 4.03Å; M200-V278 HydrophobicContact CE-CG1 3.59Å; M200-V278 HydrophobicContact SD-CB 4Å; M200-V278 HydrophobicContact SD-CG1 4.04Å; M200-V278 HydrophobicContact SD-CG2 4.34Å; E274-V278 WeakPolarHBondContact O-CG2 3.26Å; E274-V278 PolarHBondContact O-N 3.04Å; M275-V278 PolarHBondContact O-N 2.77Å; V278-D281 PolarHBondContact O-N 3.47Å; V278-I282 HydrophobicContact CG1-CD1 4.01Å; V278-I282 HydrophobicContact CG1-CG1 4.42Å; V278-I282 VanDerWaalsContact O-CG1 3.25Å; V278-I282 WeakPolarHBondContact O-CG1 3.4Å; V278-I282 PolarHBondContact O-N 3.42Å; V278-A381 HydrophobicContact CG1-CB 4.24Å; V278-V382 HydrophobicContact CB-CG1 4.19Å; V278-V382 HydrophobicContact CG1-CG1 4.03Å; V278-V382 HydrophobicContact CG2-CG1 3.97Å |
| 279 | L | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.1 | -77.4 | 174.7 | 0 | 0 | 0 | 113.5 | M197 L202 L212 I217 I251 M275 L276 M277 D281 I282 E283 | M197-L279 HydrophobicContact CG-CD2 4.01Å; M197-L279 HydrophobicContact SD-CD2 4.02Å; L202-L279 HydrophobicContact CD1-CD1 3.72Å; L202-L279 HydrophobicContact CD1-CD2 3.62Å; L202-L279 HydrophobicContact CD1-CG 3.9Å; L212-L279 HydrophobicContact CD2-CB 4.09Å; L212-L279 HydrophobicContact CD2-CD2 3.87Å; I217-L279 HydrophobicContact CD1-CB 4.36Å; I251-L279 HydrophobicContact CG2-CD1 4.48Å; M275-L279 WeakPolarHBondContact O-CG 2.78Å; M275-L279 PolarHBondContact O-N 3.35Å; M275-L279 HydrophobicContact SD-CD1 3.91Å; L276-L279 HydrophobicContact CD2-CD1 4.14Å; L276-L279 WeakPolarHBondContact O-CB 3.35Å; L276-L279 PolarHBondContact O-N 2.83Å; M277-L279 PolarHBondContact O-N 2.86Å; L279-D281 VanDerWaalsContact C-N 3.27Å; L279-D281 PolarHBondContact O-N 2.86Å; L279-I282 PolarHBondContact O-N 3.02Å; L279-E283 WeakPolarHBondContact O-CB 3.43Å; L279-E283 PolarHBondContact O-N 3.15Å |
| 280 | A | 87.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 25 Ų | 25 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T29 L33 I217 L276 M277 E283 L284 | T29-A280 HydrophobicContact CG2-CB 3.68Å; L33-A280 HydrophobicContact CD1-CB 4.49Å; I217-A280 HydrophobicContact CG2-CB 4.38Å; L276-A280 PolarHBondContact O-N 2.89Å; M277-A280 PolarHBondContact O-N 2.97Å; M277-A280 VanDerWaalsContact O-N 3.17Å; A280-E283 PolarHBondContact O-N 2.8Å; A280-L284 PolarHBondContact O-N 3.18Å |
| 281 | D | 89.9 | Confident | 87.2 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -74.4 | -35.5 | 178.5 | -75.4 | -3.3 | 0 | 0 | 0 | 112.7 | M277 V278 L279 L284 A285 V382 A385 R392 | M277-D281 PolarHBondContact O-N 2.79Å; V278-D281 PolarHBondContact O-N 3.47Å; L279-D281 VanDerWaalsContact C-N 3.27Å; L279-D281 PolarHBondContact O-N 2.86Å; D281-L284 PolarHBondContact O-N 3.02Å; D281-A285 PolarHBondContact O-N 2.79Å; D281-V382 HydrophobicContact CB-CB 4.03Å; D281-V382 HydrophobicContact CB-CG1 3.76Å; D281-A385 HydrophobicContact CB-CB 3.56Å; D281-R392 IonicContact OD1-CZ 3.47Å; D281-R392 IonicContact OD1-NH1 3.15Å; D281-R392 PolarHBondContact OD1-NH1 3.02Å; D281-R392 IonicContact OD1-NH2 3.9Å; D281-R392 PolarHBondContact OD1-NH2 3.34Å; D281-R392 IonicContact OD2-NH2 2.87Å; D281-R392 PolarHBondContact OD2-NH2 3.2Å |
| 282 | I | 88.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 169.4 | -67.1 | 173.4 | 0 | 0 | 0 | 109.8 | F193 M197 L209 V278 L279 L284 A285 Q286 A381 | F193-I282 HydrophobicContact CB-CD1 4.49Å; F193-I282 HydrophobicContact CB-CG2 4.06Å; F193-I282 HydrophobicContact CD1-CB 4.2Å; F193-I282 HydrophobicContact CD1-CD1 4.19Å; F193-I282 HydrophobicContact CD1-CG1 3.61Å; F193-I282 HydrophobicContact CD1-CG2 3.88Å; F193-I282 HydrophobicContact CD2-CG2 4.48Å; F193-I282 HydrophobicContact CE1-CB 4.45Å; F193-I282 HydrophobicContact CE1-CG1 4.04Å; F193-I282 HydrophobicContact CE1-CG2 4.36Å; F193-I282 HydrophobicContact CG-CG1 4.4Å; F193-I282 HydrophobicContact CG-CG2 3.92Å; M197-I282 HydrophobicContact CG-CD1 3.89Å; L209-I282 HydrophobicContact CD2-CG2 3.47Å; L209-I282 VanDerWaalsContact CD2-CG2 3.47Å; V278-I282 HydrophobicContact CG1-CD1 4.01Å; V278-I282 HydrophobicContact CG1-CG1 4.42Å; V278-I282 VanDerWaalsContact O-CG1 3.25Å; V278-I282 WeakPolarHBondContact O-CG1 3.4Å; V278-I282 PolarHBondContact O-N 3.42Å; L279-I282 PolarHBondContact O-N 3.02Å; I282-L284 VanDerWaalsContact C-N 3.34Å; I282-L284 PolarHBondContact O-N 3.39Å; I282-A285 PolarHBondContact O-N 3.48Å; I282-Q286 HydrophobicContact CG2-CG 4.41Å; I282-Q286 WeakPolarHBondContact O-CG 3.42Å; I282-Q286 PolarHBondContact O-N 3.41Å; I282-A381 HydrophobicContact CD1-CB 4.11Å; I282-A381 HydrophobicContact CG1-CB 4.03Å |
| 283 | E | 86.6 | Confident | 86.7 | Confident | 21 Ų | 21 | 24.9 Ų | 24.9 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 177.5 | -170.4 | -74.2 | 135.3 | 0 | 0 | 111.5 | L212 K214 I217 L279 A280 A285 Q286 T287 | L212-E283 HydrophobicContact CD2-CB 4.24Å; K214-E283 WeakPolarHBondContact CE-OE1 3.36Å; K214-E283 WeakPolarHBondContact CE-OE2 3.4Å; K214-E283 HydrophobicContact CG-CG 4.13Å; K214-E283 IonicContact NZ-OE1 3.5Å; I217-E283 HydrophobicContact CD1-CB 4.05Å; I217-E283 HydrophobicContact CD1-CG 4.37Å; L279-E283 WeakPolarHBondContact O-CB 3.43Å; L279-E283 PolarHBondContact O-N 3.15Å; A280-E283 PolarHBondContact O-N 2.8Å; E283-A285 VanDerWaalsContact C-N 3.34Å; E283-A285 PolarHBondContact O-N 3.41Å; E283-Q286 PolarHBondContact O-N 3.45Å; E283-T287 PolarHBondContact O-N 2.95Å; E283-T287 PolarHBondContact O-OG1 2.91Å; E283-T287 PolarHBondContact OE1-OG1 3.21Å |
| 284 | L | 86.8 | Confident | 86.4 | Confident | 44 Ų | 44 | 29 Ų | 29 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 175.1 | 177.8 | 64.1 | 0 | 0 | 0 | 111.6 | A280 D281 I282 Q286 T287 L288 A385 | A280-L284 PolarHBondContact O-N 3.18Å; D281-L284 PolarHBondContact O-N 3.02Å; I282-L284 VanDerWaalsContact C-N 3.34Å; I282-L284 PolarHBondContact O-N 3.39Å; L284-Q286 VanDerWaalsContact C-N 3.34Å; L284-Q286 PolarHBondContact O-N 2.77Å; L284-T287 PolarHBondContact O-N 3.42Å; L284-L288 WeakPolarHBondContact O-CG 3.26Å; L284-L288 PolarHBondContact O-N 3.48Å; L284-A385 HydrophobicContact CD2-CB 3.93Å |
| 285 | A | 89 | Confident | 86.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F193 D281 I282 E283 L288 K289 A384 | F193-A285 HydrophobicContact CE1-CB 4.22Å; F193-A285 HydrophobicContact CE2-CB 4.38Å; F193-A285 HydrophobicContact CZ-CB 3.57Å; D281-A285 PolarHBondContact O-N 2.79Å; I282-A285 PolarHBondContact O-N 3.48Å; E283-A285 VanDerWaalsContact C-N 3.34Å; E283-A285 PolarHBondContact O-N 3.41Å; A285-L288 PolarHBondContact O-N 3.17Å; A285-K289 PolarHBondContact O-N 3.28Å; A285-K289 VanDerWaalsContact O-N 3.12Å; A285-A384 HydrophobicContact CB-CB 3.99Å |
| 286 | Q | 85.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 27.3 Ų | 27.3 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 173.9 | -68.3 | -67.8 | -44.6 | 0 | 0 | 111.6 | N190 F193 L209 I282 E283 L284 L288 K289 S290 | N190-Q286 PolarHBondContact OD1-NE2 3.07Å; F193-Q286 VanDerWaalsContact CE2-NE2 3.28Å; L209-Q286 HydrophobicContact CB-CG 4.37Å; I282-Q286 HydrophobicContact CG2-CG 4.41Å; I282-Q286 WeakPolarHBondContact O-CG 3.42Å; I282-Q286 PolarHBondContact O-N 3.41Å; E283-Q286 PolarHBondContact O-N 3.45Å; L284-Q286 VanDerWaalsContact C-N 3.34Å; L284-Q286 PolarHBondContact O-N 2.77Å; Q286-L288 PolarHBondContact O-N 2.92Å; Q286-K289 PolarHBondContact O-N 2.96Å; Q286-S290 PolarHBondContact O-N 3.36Å |
| 287 | T | 85.1 | Confident | 84.9 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 174 | -76.3 | 0 | 0 | 0 | 0 | 110.6 | E283 L284 K289 S290 E291 | E283-T287 PolarHBondContact O-N 2.95Å; E283-T287 PolarHBondContact O-OG1 2.91Å; E283-T287 PolarHBondContact OE1-OG1 3.21Å; L284-T287 PolarHBondContact O-N 3.42Å; T287-K289 VanDerWaalsContact C-N 3.29Å; T287-K289 PolarHBondContact O-N 2.78Å; T287-S290 PolarHBondContact O-N 2.88Å; T287-S290 VanDerWaalsContact O-N 3.15Å; T287-S290 PolarHBondContact O-OG 2.79Å; T287-E291 HydrophobicContact CG2-CG 4.4Å; T287-E291 WeakPolarHBondContact O-CG 3.37Å; T287-E291 PolarHBondContact O-N 2.81Å |
| 288 | L | 86.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.7 | -44.5 | 177.9 | -71.5 | 172.6 | 0 | 0 | 0 | 112 | F188 L284 A285 Q286 E291 T292 K388 | F188-L288 HydrophobicContact CE1-CB 4.22Å; L284-L288 WeakPolarHBondContact O-CG 3.26Å; L284-L288 PolarHBondContact O-N 3.48Å; A285-L288 PolarHBondContact O-N 3.17Å; Q286-L288 PolarHBondContact O-N 2.92Å; L288-E291 PolarHBondContact O-N 3.15Å; L288-T292 WeakPolarHBondContact O-CG2 3.42Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 VanDerWaalsContact O-N 3.16Å; L288-K388 HydrophobicContact CD1-CB 4.23Å; L288-K388 HydrophobicContact CD1-CD 4.41Å; L288-K388 HydrophobicContact CD1-CG 4.13Å; L288-K388 HydrophobicContact CD2-CD 4.34Å |
| 289 | K | 86.3 | Confident | 84 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 15% | 0.148 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.7 | -171.5 | 177 | -178 | 177.7 | 0 | 112.7 | F188 A285 Q286 T287 E291 T292 E293 | F188-K289 HydrophobicContact CD1-CB 4.23Å; F188-K289 PolarHBondContact O-NZ 3.35Å; A285-K289 PolarHBondContact O-N 3.28Å; A285-K289 VanDerWaalsContact O-N 3.12Å; Q286-K289 PolarHBondContact O-N 2.96Å; T287-K289 VanDerWaalsContact C-N 3.29Å; T287-K289 PolarHBondContact O-N 2.78Å; K289-E291 VanDerWaalsContact C-N 3.28Å; K289-E291 PolarHBondContact O-N 3.37Å; K289-T292 WeakPolarHBondContact CA-OG1 3.37Å; K289-T292 PolarHBondContact O-N 2.7Å; K289-T292 PolarHBondContact O-OG1 3.21Å; K289-E293 WeakPolarHBondContact O-CG 3.43Å; K289-E293 PolarHBondContact O-N 3.34Å |
| 290 | S | 83.1 | Confident | 82.9 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 177 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | Q286 T287 K294 | Q286-S290 PolarHBondContact O-N 3.36Å; T287-S290 PolarHBondContact O-N 2.88Å; T287-S290 VanDerWaalsContact O-N 3.15Å; T287-S290 PolarHBondContact O-OG 2.79Å; S290-K294 WeakPolarHBondContact O-CB 3.44Å; S290-K294 VanDerWaalsContact O-CG 3.29Å; S290-K294 WeakPolarHBondContact O-CG 3.19Å; S290-K294 PolarHBondContact O-N 2.96Å |
| 291 | E | 84.3 | Confident | 82.2 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 177 | -72.7 | 176.2 | 173.3 | 0 | 0 | 111.4 | T287 L288 K289 A295 | T287-E291 HydrophobicContact CG2-CG 4.4Å; T287-E291 WeakPolarHBondContact O-CG 3.37Å; T287-E291 PolarHBondContact O-N 2.81Å; L288-E291 PolarHBondContact O-N 3.15Å; K289-E291 VanDerWaalsContact C-N 3.28Å; K289-E291 PolarHBondContact O-N 3.37Å; E291-A295 WeakPolarHBondContact O-CB 3.38Å; E291-A295 PolarHBondContact O-N 3.05Å |
| 292 | T | 84 | Confident | 81.6 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 175.3 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | L288 K289 K294 A295 Q296 Q309 D310 | L288-T292 WeakPolarHBondContact O-CG2 3.42Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 VanDerWaalsContact O-N 3.16Å; K289-T292 WeakPolarHBondContact CA-OG1 3.37Å; K289-T292 PolarHBondContact O-N 2.7Å; K289-T292 PolarHBondContact O-OG1 3.21Å; T292-K294 PolarHBondContact O-N 3.38Å; T292-A295 PolarHBondContact O-N 3.05Å; T292-Q296 PolarHBondContact O-N 3.02Å; T292-Q309 HydrophobicContact CG2-CB 3.98Å; T292-Q309 PolarHBondContact O-OE1 2.89Å; T292-D310 PolarHBondContact OG1-OD1 3.33Å |
| 293 | E | 81.6 | Confident | 81.4 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.7 | -71.8 | 176.7 | -178.3 | 0 | 0 | 112.4 | K289 Q296 D297 | K289-E293 WeakPolarHBondContact O-CG 3.43Å; K289-E293 PolarHBondContact O-N 3.34Å; E293-Q296 WeakPolarHBondContact O-CB 3.4Å; E293-Q296 PolarHBondContact O-N 3.33Å; E293-D297 PolarHBondContact O-N 3.14Å |
| 294 | K | 80.5 | Confident | 81.4 | Confident | 86 Ų | 86 | 61 Ų | 61 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176 | -76.4 | 172.6 | -178.6 | 171.5 | 0 | 112.2 | S290 T292 Q296 D297 E298 | S290-K294 WeakPolarHBondContact O-CB 3.44Å; S290-K294 VanDerWaalsContact O-CG 3.29Å; S290-K294 WeakPolarHBondContact O-CG 3.19Å; S290-K294 PolarHBondContact O-N 2.96Å; T292-K294 PolarHBondContact O-N 3.38Å; K294-Q296 PolarHBondContact O-N 2.94Å; K294-D297 PolarHBondContact O-N 3.19Å; K294-D297 VanDerWaalsContact O-N 3.16Å; K294-E298 PolarHBondContact O-N 3.46Å |
| 295 | A | 79.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E291 T292 M299 | E291-A295 WeakPolarHBondContact O-CB 3.38Å; E291-A295 PolarHBondContact O-N 3.05Å; T292-A295 PolarHBondContact O-N 3.05Å; A295-M299 WeakPolarHBondContact O-CG 3.4Å |
| 296 | Q | 75.4 | Confident | 81.6 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -37 | 176.3 | -170.4 | 174.3 | 4.8 | 0 | 0 | 112.9 | K169 T292 E293 K294 E298 M299 V303 | K169-Q296 PolarHBondContact NZ-O 3.04Å; T292-Q296 PolarHBondContact O-N 3.02Å; E293-Q296 WeakPolarHBondContact O-CB 3.4Å; E293-Q296 PolarHBondContact O-N 3.33Å; K294-Q296 PolarHBondContact O-N 2.94Å; Q296-E298 VanDerWaalsContact C-N 3.31Å; Q296-E298 PolarHBondContact O-N 2.81Å; Q296-M299 PolarHBondContact O-N 3.38Å; Q296-V303 HydrophobicContact CG-CB 3.93Å; Q296-V303 HydrophobicContact CG-CG1 3.82Å; Q296-V303 HydrophobicContact CG-CG2 4.41Å |
| 297 | D | 76.4 | Confident | 81.9 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.7 | -30.8 | 179 | -92.1 | -16.1 | 0 | 0 | 0 | 112.7 | K169 E293 K294 M299 | K169-D297 VanDerWaalsContact NZ-C 3.28Å; K169-D297 PolarHBondContact NZ-O 2.8Å; E293-D297 PolarHBondContact O-N 3.14Å; K294-D297 PolarHBondContact O-N 3.19Å; K294-D297 VanDerWaalsContact O-N 3.16Å; D297-M299 VanDerWaalsContact C-N 3.35Å; D297-M299 PolarHBondContact O-N 3.13Å |
| 298 | E | 78 | Confident | 82.3 | Confident | 162 Ų | 162 | 62.6 Ų | 62.6 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.4 | -19.4 | 176.7 | -68.4 | 179.2 | 179.9 | 0 | 0 | 114.1 | K294 Q296 | K294-E298 PolarHBondContact O-N 3.46Å; Q296-E298 VanDerWaalsContact C-N 3.31Å; Q296-E298 PolarHBondContact O-N 2.81Å |
| 299 | M | 78.8 | Confident | 82.5 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 39% | 0.394 | 33% | 0.328 | S | S | . | . | trans | -77.3 | 130.3 | 179.9 | -72.7 | -178.8 | 140.8 | 0 | 0 | 112.4 | K169 A295 Q296 D297 V303 P304 | K169-M299 WeakPolarHBondContact CD-O 3.44Å; K169-M299 WeakPolarHBondContact CE-O 3.29Å; K169-M299 PolarHBondContact NZ-O 3.47Å; A295-M299 WeakPolarHBondContact O-CG 3.4Å; Q296-M299 PolarHBondContact O-N 3.38Å; D297-M299 VanDerWaalsContact C-N 3.35Å; D297-M299 PolarHBondContact O-N 3.13Å; M299-V303 HydrophobicContact CB-CG1 3.61Å; M299-V303 HydrophobicContact CG-CG1 4.46Å; M299-V303 HydrophobicContact SD-CG1 4.1Å; M299-P304 HydrophobicContact CE-CG 4.49Å; M299-P304 VanDerWaalsContact SD-CD 3.55Å; M299-P304 HydrophobicContact SD-CG 4.5Å | ||
| 300 | L | 66.8 | Low | 82.8 | Confident | 158 Ų | 158 | 62.8 Ų | 62.8 | 83% | 0.827 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -89.5 | -26.7 | -166.8 | -71.4 | 166.4 | 0 | 0 | 0 | 116.1 | ||
| 301 | E | 71.7 | Confident | 83.5 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 72% | 0.72 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -132.5 | -56.7 | -171.6 | -67.5 | -171.2 | 163.9 | 0 | 0 | 114.2 | N170 | N170-E301 PolarHBondContact N-O 3.31Š|
| 302 | T | 77.9 | Confident | 83.9 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.2 | -178.6 | -55 | 0 | 0 | 0 | 0 | 109.6 | N170 L172 | N170-T302 WeakPolarHBondContact O-CA 3.36Å; L172-T302 HydrophobicContact CD1-CG2 3.89Å; L172-T302 HydrophobicContact CD2-CG2 3.72Å; L172-T302 HydrophobicContact CG-CG2 3.58Å |
| 303 | V | 84.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.3 | 179.9 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | K169 N170 V171 L172 Q296 M299 | K169-V303 HydrophobicContact CB-CG1 4.4Å; K169-V303 HydrophobicContact CB-CG2 4.09Å; K169-V303 HydrophobicContact CD-CG1 3.81Å; N170-V303 PolarHBondContact O-N 3.32Å; V171-V303 WeakPolarHBondContact CA-O 3.37Å; V171-V303 HydrophobicContact CB-CG2 4.2Å; V171-V303 HydrophobicContact CG1-CG2 4.4Å; V171-V303 HydrophobicContact CG2-CG2 3.73Å; L172-V303 PolarHBondContact N-O 3.41Å; Q296-V303 HydrophobicContact CG-CB 3.93Å; Q296-V303 HydrophobicContact CG-CG1 3.82Å; Q296-V303 HydrophobicContact CG-CG2 4.41Å; M299-V303 HydrophobicContact CB-CG1 3.61Å; M299-V303 HydrophobicContact CG-CG1 4.46Å; M299-V303 HydrophobicContact SD-CG1 4.1Å |
| 304 | P | 87 | Confident | 85.1 | Confident | 40 Ų | 40 | 61 Ų | 61 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | trans | -59.9 | 155.6 | 170.2 | -19.7 | 31.2 | 0 | 0 | 0 | 111.3 | M299 Q309 | M299-P304 HydrophobicContact CE-CG 4.49Å; M299-P304 VanDerWaalsContact SD-CD 3.55Å; M299-P304 HydrophobicContact SD-CG 4.5Å; P304-Q309 HydrophobicContact CB-CG 3.91Å; P304-Q309 HydrophobicContact CG-CG 4.42Å; P304-Q309 PolarHBondContact O-NE2 2.86Å | ||
| 305 | H | 89.4 | Confident | 85.8 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 22% | 0.222 | 32% | 0.322 | C | S | . | . | trans | -58 | 135.2 | 174.6 | -165.9 | -85.4 | 0 | 0 | 0 | 110.3 | L172 C174 I307 D308 Q309 | L172-H305 WeakPolarHBondContact O-CB 3.34Å; C174-H305 HydrophobicContact CB-CB 4.03Å; H305-I307 VanDerWaalsContact C-N 3.27Å; H305-I307 VanDerWaalsContact CE1-CD1 3.49Å; H305-I307 WeakPolarHBondContact CE1-CD1 3.46Å; H305-I307 PolarHBondContact ND1-N 2.93Å; H305-I307 PolarHBondContact O-N 3.26Å; H305-D308 HydrophobicContact CB-CB 4.33Å; H305-D308 WeakPolarHBondContact CB-OD2 3.48Å; H305-D308 WeakPolarHBondContact O-CB 3.31Å; H305-D308 PolarHBondContact O-N 2.59Å; H305-Q309 PolarHBondContact O-N 2.88Å | ||
| 306 | P | 89.8 | Confident | 86.6 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.3 | -41.9 | -176.5 | -29 | 34.8 | 0 | 0 | 0 | 113.8 | D308 Q309 D310 | P306-D308 VanDerWaalsContact C-N 3.31Å; P306-D308 PolarHBondContact O-N 3.31Å; P306-Q309 WeakPolarHBondContact O-CB 3.46Å; P306-Q309 PolarHBondContact O-N 3.25Å; P306-D310 PolarHBondContact O-N 2.81Å |
| 307 | I | 93.1 | Very high | 87.6 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -36 | 177.3 | -54.4 | 175.2 | 0 | 0 | 0 | 112.2 | L176 Q181 I184 K185 H305 Q309 D310 Y311 | L176-I307 HydrophobicContact CD1-CG2 3.9Å; Q181-I307 HydrophobicContact CB-CD1 4.4Å; Q181-I307 HydrophobicContact CG-CG2 4.49Å; I184-I307 HydrophobicContact CB-CG2 3.81Å; I184-I307 HydrophobicContact CG1-CG2 4.5Å; I184-I307 HydrophobicContact CG2-CG2 3.68Å; K185-I307 HydrophobicContact CD-CD1 4.18Å; K185-I307 HydrophobicContact CG-CD1 3.94Å; K185-I307 HydrophobicContact CG-CG1 4.47Å; H305-I307 VanDerWaalsContact C-N 3.27Å; H305-I307 VanDerWaalsContact CE1-CD1 3.49Å; H305-I307 WeakPolarHBondContact CE1-CD1 3.46Å; H305-I307 PolarHBondContact ND1-N 2.93Å; H305-I307 PolarHBondContact O-N 3.26Å; I307-Q309 VanDerWaalsContact C-N 3.26Å; I307-Q309 PolarHBondContact O-N 2.77Å; I307-D310 PolarHBondContact O-N 3.21Å; I307-Y311 VanDerWaalsContact O-CB 3.28Å; I307-Y311 WeakPolarHBondContact O-CB 3.48Å; I307-Y311 PolarHBondContact O-N 3.34Å |
| 308 | D | 93 | Very high | 88.7 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.064 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 175.9 | -69.2 | -32.4 | 0 | 0 | 0 | 109.7 | C174 T175 L176 H305 P306 Y311 M312 | C174-D308 WeakPolarHBondContact CA-OD2 3.35Å; C174-D308 PolarHBondContact SG-OD1 3.18Å; T175-D308 PolarHBondContact N-OD1 2.81Å; T175-D308 PolarHBondContact N-OD2 3.43Å; T175-D308 VanDerWaalsContact OG1-CG 3.3Å; T175-D308 PolarHBondContact OG1-OD1 3.28Å; T175-D308 PolarHBondContact OG1-OD2 2.98Å; L176-D308 WeakPolarHBondContact CG-OD1 3.37Å; H305-D308 HydrophobicContact CB-CB 4.33Å; H305-D308 WeakPolarHBondContact CB-OD2 3.48Å; H305-D308 WeakPolarHBondContact O-CB 3.31Å; H305-D308 PolarHBondContact O-N 2.59Å; P306-D308 VanDerWaalsContact C-N 3.31Å; P306-D308 PolarHBondContact O-N 3.31Å; D308-Y311 PolarHBondContact O-N 3.49Å; D308-M312 WeakPolarHBondContact O-CB 3.42Å; D308-M312 WeakPolarHBondContact O-CG 3.1Å; D308-M312 PolarHBondContact O-N 3.5Å |
| 309 | Q | 91.5 | Very high | 89.6 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.2 | -46 | 177.8 | -57 | -174.4 | 48.3 | 0 | 0 | 111.6 | T292 P304 H305 P306 I307 Y311 M312 S313 | T292-Q309 HydrophobicContact CG2-CB 3.98Å; T292-Q309 PolarHBondContact O-OE1 2.89Å; P304-Q309 HydrophobicContact CB-CG 3.91Å; P304-Q309 HydrophobicContact CG-CG 4.42Å; P304-Q309 PolarHBondContact O-NE2 2.86Å; H305-Q309 PolarHBondContact O-N 2.88Å; P306-Q309 WeakPolarHBondContact O-CB 3.46Å; P306-Q309 PolarHBondContact O-N 3.25Å; I307-Q309 VanDerWaalsContact C-N 3.26Å; I307-Q309 PolarHBondContact O-N 2.77Å; Q309-Y311 VanDerWaalsContact C-N 3.29Å; Q309-Y311 PolarHBondContact O-N 3.01Å; Q309-M312 PolarHBondContact O-N 3.49Å; Q309-S313 WeakPolarHBondContact O-CB 3.45Å; Q309-S313 PolarHBondContact O-N 2.65Å |
| 310 | D | 92.9 | Very high | 90.5 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 175.3 | -69.6 | -13.2 | 0 | 0 | 0 | 110.9 | I184 F188 T292 P306 I307 S313 L314 | I184-D310 HydrophobicContact CG2-CB 3.81Å; F188-D310 HydrophobicContact CD2-CB 3.99Å; F188-D310 HydrophobicContact CE2-CB 3.93Å; F188-D310 HydrophobicContact CZ-CB 4.4Å; T292-D310 PolarHBondContact OG1-OD1 3.33Å; P306-D310 PolarHBondContact O-N 2.81Å; I307-D310 PolarHBondContact O-N 3.21Å; D310-S313 WeakPolarHBondContact O-CB 3.42Å; D310-S313 PolarHBondContact O-N 3.38Å; D310-S313 PolarHBondContact O-OG 3.36Å; D310-L314 PolarHBondContact O-N 2.76Å |
| 311 | Y | 96.3 | Very high | 92 | Very high | 26 Ų | 26 | 47 Ų | 47 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 174 | 173.8 | -102.6 | 0 | 0 | 0 | 112.5 | L176 T180 I184 I307 D308 Q309 S313 L314 K317 L318 | L176-Y311 HydrophobicContact CD1-CD1 4.35Å; L176-Y311 HydrophobicContact CD1-CD2 4.25Å; L176-Y311 HydrophobicContact CD1-CG 3.85Å; L176-Y311 HydrophobicContact CD2-CD1 3.72Å; L176-Y311 HydrophobicContact CD2-CD2 4.25Å; L176-Y311 HydrophobicContact CD2-CE1 3.82Å; L176-Y311 HydrophobicContact CD2-CE2 4.35Å; L176-Y311 HydrophobicContact CD2-CG 3.93Å; T180-Y311 HydrophobicContact CG2-CD2 4.41Å; T180-Y311 HydrophobicContact CG2-CE2 4.33Å; I184-Y311 HydrophobicContact CD1-CD2 3.88Å; I184-Y311 HydrophobicContact CG1-CD2 4.16Å; I307-Y311 VanDerWaalsContact O-CB 3.28Å; I307-Y311 WeakPolarHBondContact O-CB 3.48Å; I307-Y311 PolarHBondContact O-N 3.34Å; D308-Y311 PolarHBondContact O-N 3.49Å; Q309-Y311 VanDerWaalsContact C-N 3.29Å; Q309-Y311 PolarHBondContact O-N 3.01Å; Y311-S313 PolarHBondContact O-N 2.95Å; Y311-L314 WeakPolarHBondContact O-CB 3.02Å; Y311-L314 PolarHBondContact O-N 3.14Å; Y311-L314 VanDerWaalsContact O-N 3.12Å; Y311-K317 WeakPolarHBondContact OH-CA 3.27Å; Y311-L318 HydrophobicContact CE2-CB 4.07Å; Y311-L318 HydrophobicContact CE2-CD1 4.22Å; Y311-L318 HydrophobicContact CE2-CG 4.1Å; Y311-L318 PolarHBondContact OH-N 3.36Å |
| 312 | M | 94.1 | Very high | 93.1 | Very high | 125 Ų | 125 | 42 Ų | 42 | 62% | 0.616 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.9 | -32.3 | 177.9 | -69.5 | -66.4 | -178.2 | 0 | 0 | 111.9 | D308 Q309 L314 K315 | D308-M312 WeakPolarHBondContact O-CB 3.42Å; D308-M312 WeakPolarHBondContact O-CG 3.1Å; D308-M312 PolarHBondContact O-N 3.5Å; Q309-M312 PolarHBondContact O-N 3.49Å; M312-L314 PolarHBondContact O-N 3.02Å; M312-K315 PolarHBondContact O-N 3.44Å |
| 313 | S | 94.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 12% | 0.119 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -29.3 | 176.8 | 87.9 | 0 | 0 | 0 | 0 | 112.3 | Q309 D310 Y311 K315 K388 | Q309-S313 WeakPolarHBondContact O-CB 3.45Å; Q309-S313 PolarHBondContact O-N 2.65Å; D310-S313 WeakPolarHBondContact O-CB 3.42Å; D310-S313 PolarHBondContact O-N 3.38Å; D310-S313 PolarHBondContact O-OG 3.36Å; Y311-S313 PolarHBondContact O-N 2.95Å; S313-K315 PolarHBondContact O-N 3.45Å; S313-K388 WeakPolarHBondContact O-CD 3.25Å; S313-K388 PolarHBondContact O-NZ 2.84Å |
| 314 | L | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.1 | 176.8 | -60.7 | 174.5 | 0 | 0 | 0 | 112.3 | I184 I187 F188 D310 Y311 M312 C316 A384 L387 K388 | I184-L314 HydrophobicContact CD1-CD1 3.6Å; I187-L314 HydrophobicContact CD1-CD1 4.04Å; F188-L314 HydrophobicContact CE2-CD1 4.34Å; F188-L314 HydrophobicContact CE2-CD2 3.87Å; F188-L314 HydrophobicContact CE2-CG 4.14Å; F188-L314 HydrophobicContact CZ-CD2 3.69Å; F188-L314 HydrophobicContact CZ-CG 4.25Å; D310-L314 PolarHBondContact O-N 2.76Å; Y311-L314 WeakPolarHBondContact O-CB 3.02Å; Y311-L314 PolarHBondContact O-N 3.14Å; Y311-L314 VanDerWaalsContact O-N 3.12Å; M312-L314 PolarHBondContact O-N 3.02Å; L314-C316 HydrophobicContact CB-CB 4.18Å; L314-C316 PolarHBondContact O-N 3.32Å; L314-A384 HydrophobicContact CD2-CB 4.11Å; L314-L387 HydrophobicContact CD1-CB 4.42Å; L314-L387 HydrophobicContact CD1-CD1 4.03Å; L314-L387 HydrophobicContact CD2-CB 4.28Å; L314-K388 WeakPolarHBondContact O-CA 3.3Å; L314-K388 WeakPolarHBondContact O-CD 3.28Å |
| 315 | K | 95.4 | Very high | 94.8 | Very high | 113 Ų | 113 | 50.8 Ų | 50.8 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 40.5 | -174.2 | -60.9 | -179.8 | 168.1 | -159.9 | 0 | 111.8 | M312 S313 E356 | M312-K315 PolarHBondContact O-N 3.44Å; S313-K315 PolarHBondContact O-N 3.45Å; K315-E356 HydrophobicContact CB-CB 4.2Å; K315-E356 WeakPolarHBondContact CB-OE2 3.46Å; K315-E356 WeakPolarHBondContact CD-OE2 3.46Å; K315-E356 WeakPolarHBondContact O-CB 3.31Å; K315-E356 PolarHBondContact O-N 3.34Å |
| 316 | C | 97.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 123 | -176.5 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | L314 R355 L387 | L314-C316 HydrophobicContact CB-CB 4.18Å; L314-C316 PolarHBondContact O-N 3.32Å; C316-R355 HydrophobicContact CB-CG 4.07Å; C316-L387 HydrophobicContact CB-CB 4.4Å; C316-L387 WeakPolarHBondContact CB-O 3.29Å |
| 317 | K | 97.6 | Very high | 95.5 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 54% | 0.543 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.4 | 173.7 | -176.2 | -176.2 | 176.9 | -169.9 | 0 | 108.9 | Y311 D354 | Y311-K317 WeakPolarHBondContact OH-CA 3.27Å; K317-D354 HydrophobicContact CB-CB 4.31Å; K317-D354 PolarHBondContact N-O 3.49Å; K317-D354 PolarHBondContact O-N 3.09Å |
| 318 | L | 98.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.7 | 172.2 | -60.1 | 178.6 | 0 | 0 | 0 | 108.8 | L183 Y311 W351 E352 V353 L387 | L183-L318 HydrophobicContact CD2-CD1 3.88Å; Y311-L318 HydrophobicContact CE2-CB 4.07Å; Y311-L318 HydrophobicContact CE2-CD1 4.22Å; Y311-L318 HydrophobicContact CE2-CG 4.1Å; Y311-L318 PolarHBondContact OH-N 3.36Å; L318-W351 HydrophobicContact CB-CB 4.24Å; L318-W351 HydrophobicContact CB-CG 4.24Å; L318-W351 HydrophobicContact CD2-CB 4.39Å; L318-E352 WeakPolarHBondContact CA-O 3.37Å; L318-V353 HydrophobicContact CD2-CB 4.46Å; L318-V353 HydrophobicContact CD2-CG1 4.42Å; L318-V353 HydrophobicContact CD2-CG2 3.93Å; L318-L387 HydrophobicContact CD1-CD1 4.3Å; L318-L387 HydrophobicContact CD2-CD2 4.13Å |
| 319 | S | 97.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 111.9 | 178 | -49.8 | 0 | 0 | 0 | 0 | 109.4 | L321 W351 E352 | S319-L321 PolarHBondContact O-N 3.21Å; S319-W351 CarbonylContact O-C 3.51Å; S319-W351 VanDerWaalsContact O-CA 3.31Å; S319-W351 WeakPolarHBondContact O-CA 3.13Å; S319-E352 PolarHBondContact N-O 3.27Å; S319-E352 PolarHBondContact O-N 3.41Å |
| 320 | L | 97.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 124.2 | -178.1 | -177.4 | 70.5 | 0 | 0 | 0 | 110.7 | P179 N349 W351 | P179-L320 HydrophobicContact CB-CD1 4.17Å; P179-L320 HydrophobicContact CB-CD2 4.03Å; P179-L320 HydrophobicContact CG-CD2 3.8Å; L320-N349 HydrophobicContact CD1-CB 4.04Å; L320-W351 HydrophobicContact CD1-CD2 4.2Å; L320-W351 HydrophobicContact CD1-CG 4.45Å; L320-W351 HydrophobicContact CD1-CZ2 4.13Å |
| 321 | L | 97.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 128.3 | 177.5 | -69.5 | -178.9 | 0 | 0 | 0 | 111.2 | S319 I327 Y328 I331 V350 E352 F515 | S319-L321 PolarHBondContact O-N 3.21Å; L321-I327 HydrophobicContact CD1-CG2 4.07Å; L321-Y328 HydrophobicContact CB-CD2 4.35Å; L321-I331 HydrophobicContact CD1-CD1 4.38Å; L321-V350 HydrophobicContact CB-CB 4.44Å; L321-V350 WeakPolarHBondContact CB-O 3.25Å; L321-V350 HydrophobicContact CD1-CB 4.38Å; L321-V350 HydrophobicContact CD1-CG1 3.82Å; L321-V350 PolarHBondContact N-O 3.46Å; L321-E352 HydrophobicContact CD2-CB 4.41Å; L321-F515 HydrophobicContact CD1-CD1 3.79Å; L321-F515 HydrophobicContact CD1-CE1 3.89Å |
| 322 | A | 96.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 136.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | N324 T325 | A322-N324 VanDerWaalsContact CB-OD1 3.28Å; A322-N324 WeakPolarHBondContact CB-OD1 3.47Å; A322-N324 PolarHBondContact O-N 3.19Å; A322-N324 VanDerWaalsContact O-N 3.09Å; A322-T325 HydrophobicContact CB-CG2 4.05Å; A322-T325 WeakPolarHBondContact O-CB 3.4Å; A322-T325 WeakPolarHBondContact O-CG2 3.3Å; A322-T325 PolarHBondContact O-N 3.11Å; A322-T325 PolarHBondContact O-OG1 2.73Å |
| 323 | K | 93.9 | Very high | 96.6 | Very high | 124 Ų | 124 | 61.3 Ų | 61.3 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.6 | -173.3 | -59 | -170.5 | 175.9 | -173.5 | 0 | 114.4 | Y328 L348 | K323-Y328 HydrophobicContact CB-CD1 4.25Å; K323-Y328 HydrophobicContact CB-CE1 4.07Å; K323-Y328 HydrophobicContact CB-CE2 4.47Å; K323-Y328 HydrophobicContact CG-CD2 4.49Å; K323-Y328 HydrophobicContact CG-CE1 4.18Å; K323-Y328 HydrophobicContact CG-CE2 3.94Å; K323-Y328 WeakPolarHBondContact O-CD1 3.34Å; K323-L348 PolarHBondContact NZ-O 3.44Å |
| 324 | N | 94.2 | Very high | 96.7 | Very high | 122 Ų | 122 | 60.5 Ų | 60.5 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.5 | 179.3 | 63.5 | -22.7 | 0 | 0 | 0 | 113.6 | A322 K329 | A322-N324 VanDerWaalsContact CB-OD1 3.28Å; A322-N324 WeakPolarHBondContact CB-OD1 3.47Å; A322-N324 PolarHBondContact O-N 3.19Å; A322-N324 VanDerWaalsContact O-N 3.09Å; N324-K329 WeakPolarHBondContact O-CE 3.4Å; N324-K329 PolarHBondContact O-NZ 3.02Å |
| 325 | T | 96.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 29% | 0.288 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -65.9 | 151.4 | 178.8 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | A322 Y328 K329 | A322-T325 HydrophobicContact CB-CG2 4.05Å; A322-T325 WeakPolarHBondContact O-CB 3.4Å; A322-T325 WeakPolarHBondContact O-CG2 3.3Å; A322-T325 PolarHBondContact O-N 3.11Å; A322-T325 PolarHBondContact O-OG1 2.73Å; T325-Y328 PolarHBondContact O-N 2.97Å; T325-Y328 VanDerWaalsContact OG1-CB 3.22Å; T325-Y328 WeakPolarHBondContact OG1-CB 3.34Å; T325-Y328 PolarHBondContact OG1-N 2.89Å; T325-K329 WeakPolarHBondContact O-CG 3.29Å; T325-K329 PolarHBondContact O-N 3.08Å |
| 326 | E | 96.1 | Very high | 96.6 | Very high | 154 Ų | 154 | 61.5 Ų | 61.5 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 179.8 | -173.1 | 145.2 | -168.9 | 0 | 0 | 112 | Y328 K329 I330 | E326-Y328 VanDerWaalsContact C-N 3.33Å; E326-Y328 PolarHBondContact O-N 3.3Å; E326-K329 WeakPolarHBondContact O-CB 3.38Å; E326-K329 PolarHBondContact O-N 3.22Å; E326-K329 VanDerWaalsContact O-N 3.14Å; E326-I330 HydrophobicContact CG-CD1 4.16Å; E326-I330 WeakPolarHBondContact O-CG1 3.38Å; E326-I330 PolarHBondContact O-N 3.09Å |
| 327 | I | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 32% | 0.323 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.9 | -66.2 | 178.1 | 0 | 0 | 0 | 111 | L321 K329 I330 I331 F515 | L321-I327 HydrophobicContact CD1-CG2 4.07Å; I327-K329 VanDerWaalsContact C-N 3.32Å; I327-K329 PolarHBondContact O-N 2.88Å; I327-I330 PolarHBondContact O-N 2.63Å; I327-I331 HydrophobicContact CG2-CD1 3.86Å; I327-I331 HydrophobicContact CG2-CG1 4.45Å; I327-I331 WeakPolarHBondContact O-CG1 3.46Å; I327-I331 PolarHBondContact O-N 3.29Å; I327-F515 HydrophobicContact CG2-CE1 3.68Å; I327-F515 HydrophobicContact CG2-CE2 4.43Å; I327-F515 HydrophobicContact CG2-CZ 3.6Å |
| 328 | Y | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 177.5 | -173.1 | -78.4 | 0 | 0 | 0 | 111.7 | L321 K323 T325 E326 I330 I331 E332 I347 V350 | L321-Y328 HydrophobicContact CB-CD2 4.35Å; K323-Y328 HydrophobicContact CB-CD1 4.25Å; K323-Y328 HydrophobicContact CB-CE1 4.07Å; K323-Y328 HydrophobicContact CB-CE2 4.47Å; K323-Y328 HydrophobicContact CG-CD2 4.49Å; K323-Y328 HydrophobicContact CG-CE1 4.18Å; K323-Y328 HydrophobicContact CG-CE2 3.94Å; K323-Y328 WeakPolarHBondContact O-CD1 3.34Å; T325-Y328 PolarHBondContact O-N 2.97Å; T325-Y328 VanDerWaalsContact OG1-CB 3.22Å; T325-Y328 WeakPolarHBondContact OG1-CB 3.34Å; T325-Y328 PolarHBondContact OG1-N 2.89Å; E326-Y328 VanDerWaalsContact C-N 3.33Å; E326-Y328 PolarHBondContact O-N 3.3Å; Y328-I330 VanDerWaalsContact C-N 3.34Å; Y328-I330 PolarHBondContact O-N 2.99Å; Y328-I331 PolarHBondContact O-N 2.89Å; Y328-E332 HydrophobicContact CD1-CB 4.48Å; Y328-E332 HydrophobicContact CE1-CB 4.34Å; Y328-E332 WeakPolarHBondContact O-CB 3.42Å; Y328-E332 PolarHBondContact O-N 3.04Å; Y328-I347 HydrophobicContact CE2-CG2 4.39Å; Y328-I347 WeakPolarHBondContact OH-CG2 3.18Å; Y328-V350 HydrophobicContact CD2-CB 4.12Å; Y328-V350 HydrophobicContact CD2-CG2 3.92Å; Y328-V350 HydrophobicContact CE2-CB 4.1Å; Y328-V350 HydrophobicContact CE2-CG2 3.58Å |
| 329 | K | 97.5 | Very high | 95.6 | Very high | 122 Ų | 122 | 58 Ų | 58 | 53% | 0.53 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.6 | -67.5 | 170.9 | -174.9 | 167 | 0 | 112.2 | N324 T325 E326 I327 E332 K333 | N324-K329 WeakPolarHBondContact O-CE 3.4Å; N324-K329 PolarHBondContact O-NZ 3.02Å; T325-K329 WeakPolarHBondContact O-CG 3.29Å; T325-K329 PolarHBondContact O-N 3.08Å; E326-K329 WeakPolarHBondContact O-CB 3.38Å; E326-K329 PolarHBondContact O-N 3.22Å; E326-K329 VanDerWaalsContact O-N 3.14Å; I327-K329 VanDerWaalsContact C-N 3.32Å; I327-K329 PolarHBondContact O-N 2.88Å; K329-E332 PolarHBondContact O-N 2.86Å; K329-K333 VanDerWaalsContact O-CB 3.3Å; K329-K333 WeakPolarHBondContact O-CB 3.47Å; K329-K333 PolarHBondContact O-N 3.36Å |
| 330 | I | 97.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.3 | -69.5 | 169.5 | 0 | 0 | 0 | 110.5 | E326 I327 Y328 K333 Y334 T471 I473 V482 Q484 | E326-I330 HydrophobicContact CG-CD1 4.16Å; E326-I330 WeakPolarHBondContact O-CG1 3.38Å; E326-I330 PolarHBondContact O-N 3.09Å; I327-I330 PolarHBondContact O-N 2.63Å; Y328-I330 VanDerWaalsContact C-N 3.34Å; Y328-I330 PolarHBondContact O-N 2.99Å; I330-K333 PolarHBondContact O-N 2.99Å; I330-Y334 WeakPolarHBondContact O-CB 3.45Å; I330-Y334 PolarHBondContact O-N 2.8Å; I330-T471 HydrophobicContact CD1-CG2 4.47Å; I330-T471 HydrophobicContact CG1-CG2 4.48Å; I330-T471 HydrophobicContact CG2-CG2 3.84Å; I330-I473 HydrophobicContact CD1-CG2 3.68Å; I330-I473 HydrophobicContact CG2-CG2 4.37Å; I330-V482 HydrophobicContact CG2-CB 4.3Å; I330-V482 HydrophobicContact CG2-CG1 3.96Å; I330-V482 HydrophobicContact CG2-CG2 4.49Å; I330-Q484 PolarHBondContact O-NE2 3.11Å; I330-Q484 VanDerWaalsContact O-NE2 3.1Å |
| 331 | I | 97.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 177 | -68.1 | 171.4 | 0 | 0 | 0 | 110.8 | L321 I327 Y328 K333 Y334 M335 I347 V350 W375 L429 F515 L517 | L321-I331 HydrophobicContact CD1-CD1 4.38Å; I327-I331 HydrophobicContact CG2-CD1 3.86Å; I327-I331 HydrophobicContact CG2-CG1 4.45Å; I327-I331 WeakPolarHBondContact O-CG1 3.46Å; I327-I331 PolarHBondContact O-N 3.29Å; Y328-I331 PolarHBondContact O-N 2.89Å; I331-K333 PolarHBondContact O-N 3.43Å; I331-Y334 WeakPolarHBondContact O-CB 3.3Å; I331-Y334 PolarHBondContact O-N 2.88Å; I331-M335 PolarHBondContact O-N 3.03Å; I331-I347 HydrophobicContact CG2-CD1 4.43Å; I331-V350 HydrophobicContact CD1-CG1 3.99Å; I331-W375 HydrophobicContact CG2-CH2 4.48Å; I331-L429 HydrophobicContact CB-CD1 4.42Å; I331-L429 HydrophobicContact CD1-CD1 4.28Å; I331-L429 HydrophobicContact CG1-CD1 3.88Å; I331-L429 HydrophobicContact CG2-CD1 3.89Å; I331-F515 HydrophobicContact CD1-CB 4.19Å; I331-F515 HydrophobicContact CD1-CD1 3.88Å; I331-F515 HydrophobicContact CD1-CD2 3.82Å; I331-F515 HydrophobicContact CD1-CE1 4.23Å; I331-F515 HydrophobicContact CD1-CE2 4.17Å; I331-F515 HydrophobicContact CD1-CG 3.67Å; I331-F515 HydrophobicContact CD1-CZ 4.36Å; I331-L517 HydrophobicContact CG2-CD2 3.63Å; I331-L517 HydrophobicContact CG2-CG 4.3Å |
| 332 | E | 96.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 68.7 Ų | 68.7 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 178.8 | -163.9 | -161.2 | -150.8 | 0 | 0 | 111.4 | Y328 K329 K336 I347 | Y328-E332 HydrophobicContact CD1-CB 4.48Å; Y328-E332 HydrophobicContact CE1-CB 4.34Å; Y328-E332 WeakPolarHBondContact O-CB 3.42Å; Y328-E332 PolarHBondContact O-N 3.04Å; K329-E332 PolarHBondContact O-N 2.86Å; E332-K336 HydrophobicContact CG-CD 4.29Å; E332-K336 WeakPolarHBondContact O-CB 3.47Å; E332-K336 VanDerWaalsContact O-CG 3.29Å; E332-K336 WeakPolarHBondContact O-CG 3.09Å; E332-K336 PolarHBondContact O-N 3.38Å; E332-K336 IonicContact OE1-NZ 3.72Å; E332-K336 PolarHBondContact OE1-NZ 2.9Å; E332-K336 IonicContact OE2-NZ 2.63Å; E332-K336 PolarHBondContact OE2-NZ 3.48Å; E332-I347 HydrophobicContact CB-CD1 4.35Å; E332-I347 HydrophobicContact CG-CD1 4.27Å |
| 333 | K | 96.5 | Very high | 91.2 | Very high | 95 Ų | 95 | 67.7 Ų | 67.7 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.2 | -178.9 | 172.1 | 169.3 | -149.8 | 0 | 111.1 | K329 I330 I331 M335 K336 S337 Q484 | K329-K333 VanDerWaalsContact O-CB 3.3Å; K329-K333 WeakPolarHBondContact O-CB 3.47Å; K329-K333 PolarHBondContact O-N 3.36Å; I330-K333 PolarHBondContact O-N 2.99Å; I331-K333 PolarHBondContact O-N 3.43Å; K333-M335 PolarHBondContact O-N 3.5Å; K333-K336 PolarHBondContact O-N 3.2Å; K333-S337 WeakPolarHBondContact O-CB 3.25Å; K333-S337 PolarHBondContact O-N 3.43Å; K333-S337 PolarHBondContact O-OG 3.31Å; K333-Q484 HydrophobicContact CD-CB 4.44Å |
| 334 | Y | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 177 | -170.5 | -170.7 | 0 | 0 | 0 | 111.4 | I330 I331 K336 S337 T338 L373 W375 S409 L429 V482 P483 | I330-Y334 WeakPolarHBondContact O-CB 3.45Å; I330-Y334 PolarHBondContact O-N 2.8Å; I331-Y334 WeakPolarHBondContact O-CB 3.3Å; I331-Y334 PolarHBondContact O-N 2.88Å; Y334-K336 PolarHBondContact O-N 3.31Å; Y334-S337 PolarHBondContact O-N 3.37Å; Y334-T338 HydrophobicContact CD2-CG2 3.82Å; Y334-T338 HydrophobicContact CE2-CG2 3.7Å; Y334-T338 PolarHBondContact O-N 2.97Å; Y334-T338 PolarHBondContact O-OG1 2.8Å; Y334-L373 WeakPolarHBondContact CE1-O 3.41Å; Y334-L373 PolarHBondContact OH-O 3.44Å; Y334-W375 AromaticContact CD1-CE2 3.78Å; Y334-W375 AromaticContact CD1-CZ2 3.61Å; Y334-W375 HydrophobicContact CD1-CZ2 3.61Å; Y334-W375 AromaticContact CD1-NE1 3.72Å; Y334-W375 HydrophobicContact CD2-CZ2 4.28Å; Y334-W375 AromaticContact CD2-NE1 3.67Å; Y334-W375 AromaticContact CE1-CD1 3.96Å; Y334-W375 AromaticContact CE1-CE2 3.75Å; Y334-W375 HydrophobicContact CE1-CZ2 4.08Å; Y334-W375 AromaticContact CE1-NE1 3.35Å; Y334-W375 AromaticContact CE2-NE1 3.27Å; Y334-W375 VanDerWaalsContact CE2-NE1 3.27Å; Y334-W375 AromaticContact CG-CZ2 3.72Å; Y334-W375 HydrophobicContact CG-CZ2 3.72Å; Y334-W375 AromaticContact CG-NE1 3.88Å; Y334-W375 AromaticContact CZ-CD1 3.56Å; Y334-W375 AromaticContact CZ-CE2 3.98Å; Y334-W375 AromaticContact CZ-NE1 3.1Å; Y334-S409 WeakPolarHBondContact CE2-O 3.42Å; Y334-S409 WeakPolarHBondContact OH-CA 3.31Å; Y334-S409 PolarHBondContact OH-O 2.98Å; Y334-L429 HydrophobicContact CD1-CD2 4.08Å; Y334-L429 HydrophobicContact CE1-CD2 3.82Å; Y334-V482 HydrophobicContact CD1-CG1 3.54Å; Y334-V482 HydrophobicContact CE1-CG1 4Å; Y334-V482 HydrophobicContact CG-CG1 4.05Å; Y334-P483 HydrophobicContact CD2-CB 4.25Å; Y334-P483 WeakPolarHBondContact CD2-O 3.1Å; Y334-P483 HydrophobicContact CE2-CB 3.61Å; Y334-P483 HydrophobicContact CE2-CG 3.94Å; Y334-P483 WeakPolarHBondContact CE2-O 3.45Å; Y334-P483 VanDerWaalsContact CG-O 3.25Å |
| 335 | M | 94.7 | Very high | 90.4 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 177.4 | -179.9 | 173.6 | -81.3 | 0 | 0 | 111.7 | I331 K333 T339 P345 I347 W375 L517 I519 | I331-M335 PolarHBondContact O-N 3.03Å; K333-M335 PolarHBondContact O-N 3.5Å; M335-T339 VanDerWaalsContact O-CB 3.23Å; M335-T339 WeakPolarHBondContact O-CB 3.41Å; M335-T339 PolarHBondContact O-N 3.04Å; M335-T339 PolarHBondContact O-OG1 2.93Å; M335-P345 HydrophobicContact SD-CG 4.09Å; M335-I347 HydrophobicContact CB-CD1 4.27Å; M335-I347 HydrophobicContact CE-CD1 4.3Å; M335-I347 HydrophobicContact CE-CG1 3.98Å; M335-I347 HydrophobicContact SD-CD1 3.72Å; M335-I347 HydrophobicContact SD-CG1 3.31Å; M335-I347 WeakPolarHBondContact SD-CG1 3.34Å; M335-W375 HydrophobicContact CB-CH2 4.07Å; M335-W375 HydrophobicContact CB-CZ2 4.1Å; M335-W375 HydrophobicContact CE-CH2 4.12Å; M335-W375 HydrophobicContact CE-CZ3 4.24Å; M335-L517 HydrophobicContact CE-CD2 3.69Å; M335-I519 HydrophobicContact CE-CG2 3.76Å; M335-I519 HydrophobicContact SD-CG2 4.47Å |
| 336 | K | 93.5 | Very high | 90.3 | Very high | 128 Ų | 128 | 66.9 Ų | 66.9 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | -179.4 | -75.4 | 171.7 | -177.5 | 167.7 | 0 | 112.5 | E332 K333 Y334 T338 | E332-K336 HydrophobicContact CG-CD 4.29Å; E332-K336 WeakPolarHBondContact O-CB 3.47Å; E332-K336 VanDerWaalsContact O-CG 3.29Å; E332-K336 WeakPolarHBondContact O-CG 3.09Å; E332-K336 PolarHBondContact O-N 3.38Å; E332-K336 IonicContact OE1-NZ 3.72Å; E332-K336 PolarHBondContact OE1-NZ 2.9Å; E332-K336 IonicContact OE2-NZ 2.63Å; E332-K336 PolarHBondContact OE2-NZ 3.48Å; K333-K336 PolarHBondContact O-N 3.2Å; Y334-K336 PolarHBondContact O-N 3.31Å; K336-T338 VanDerWaalsContact C-N 3.35Å |
| 337 | S | 93.5 | Very high | 90.3 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.8 | -28.8 | -177 | -69.5 | 0 | 0 | 0 | 0 | 113.3 | K333 Y334 Q484 K486 | K333-S337 WeakPolarHBondContact O-CB 3.25Å; K333-S337 PolarHBondContact O-N 3.43Å; K333-S337 PolarHBondContact O-OG 3.31Å; Y334-S337 PolarHBondContact O-N 3.37Å; S337-Q484 WeakPolarHBondContact CB-O 3.47Å; S337-Q484 PolarHBondContact OG-O 2.82Å; S337-K486 WeakPolarHBondContact O-CA 3.47Å |
| 338 | T | 93.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 13.5 | -173.7 | 65.3 | 0 | 0 | 0 | 0 | 114.6 | Y334 K336 N411 A412 P465 | Y334-T338 HydrophobicContact CD2-CG2 3.82Å; Y334-T338 HydrophobicContact CE2-CG2 3.7Å; Y334-T338 PolarHBondContact O-N 2.97Å; Y334-T338 PolarHBondContact O-OG1 2.8Å; K336-T338 VanDerWaalsContact C-N 3.35Å; T338-N411 PolarHBondContact O-N 3.23Å; T338-N411 VanDerWaalsContact OG1-CB 3.25Å; T338-N411 WeakPolarHBondContact OG1-CB 3.21Å; T338-N411 PolarHBondContact OG1-N 2.82Å; T338-N411 VanDerWaalsContact OG1-N 3.12Å; T338-A412 PolarHBondContact O-N 3.15Å; T338-P465 HydrophobicContact CG2-CB 4.27Å; T338-P465 HydrophobicContact CG2-CG 3.83Å |
| 339 | T | 86 | Confident | 90.3 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 23% | 0.233 | 29% | 0.292 | C | S | . | . | trans | -83.8 | 148.7 | 172.8 | -106.5 | 0 | 0 | 0 | 0 | 111.1 | M335 S343 K344 N411 | M335-T339 VanDerWaalsContact O-CB 3.23Å; M335-T339 WeakPolarHBondContact O-CB 3.41Å; M335-T339 PolarHBondContact O-N 3.04Å; M335-T339 PolarHBondContact O-OG1 2.93Å; T339-S343 WeakPolarHBondContact CG2-O 3.46Å; T339-K344 HydrophobicContact CG2-CG 4.48Å; T339-N411 PolarHBondContact OG1-ND2 2.88Å | ||
| 340 | C | 77.8 | Confident | 90.3 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | trans | -82.6 | 161 | 174.4 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | Y342 A412 | C340-Y342 PolarHBondContact O-N 3.43Å; C340-A412 HydrophobicContact CB-CB 3.78Å | ||
| 341 | S | 72.3 | Confident | 90.4 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 62% | 0.615 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.7 | -178.7 | 46 | 0 | 0 | 0 | 0 | 114.3 | ||
| 342 | Y | 69.6 | Low | 90.4 | Very high | 219 Ų | 219 | 57.2 Ų | 57.2 | 86% | 0.859 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -21.1 | -170.1 | -59 | -76.3 | 0 | 0 | 0 | 115 | C340 | C340-Y342 PolarHBondContact O-N 3.43Š|
| 343 | S | 75.1 | Confident | 90.5 | Very high | 30 Ų | 30 | 54 Ų | 54 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | trans | -129.9 | 120.3 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | T339 P345 | T339-S343 WeakPolarHBondContact CG2-O 3.46Å; S343-P345 WeakPolarHBondContact O-CD 3.36Å | ||
| 344 | K | 83.8 | Confident | 90.5 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 67% | 0.665 | 26% | 0.263 | S | S | * | . | trans | -119.2 | 77.4 | -178.6 | -66.5 | -178.8 | -176 | 175.7 | 0 | 109 | T339 | T339-K344 HydrophobicContact CG2-CG 4.48Š| ||
| 345 | P | 89.6 | Confident | 90.4 | Very high | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | trans | -60.9 | 145.6 | 175.8 | 30.7 | -39 | 0 | 0 | 0 | 109.8 | M335 S343 L415 I519 E520 M521 | M335-P345 HydrophobicContact SD-CG 4.09Å; S343-P345 WeakPolarHBondContact O-CD 3.36Å; P345-L415 HydrophobicContact CB-CD2 4.16Å; P345-L415 HydrophobicContact CG-CD1 3.76Å; P345-L415 HydrophobicContact CG-CD2 3.91Å; P345-L415 HydrophobicContact CG-CG 4.42Å; P345-I519 HydrophobicContact CB-CB 4.3Å; P345-I519 HydrophobicContact CB-CD1 4.04Å; P345-E520 WeakPolarHBondContact CA-O 3.2Å; P345-M521 HydrophobicContact CB-SD 4.35Å | ||
| 346 | K | 93.2 | Very high | 90.3 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.1 | 176.1 | 179.4 | -173.7 | 173.5 | -167.3 | 0 | 109.2 | L348 I519 E520 | K346-L348 PolarHBondContact O-N 3.17Å; K346-I519 CarbonylContact O-C 3.58Å; K346-I519 VanDerWaalsContact O-CA 3.31Å; K346-I519 WeakPolarHBondContact O-CA 3.44Å; K346-E520 HydrophobicContact CB-CB 4.33Å; K346-E520 PolarHBondContact N-O 2.78Å; K346-E520 PolarHBondContact O-N 2.77Å |
| 347 | I | 95.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 120.9 | 171.8 | -56.5 | 179.5 | 0 | 0 | 0 | 108.8 | Y328 I331 E332 M335 V350 L517 | Y328-I347 HydrophobicContact CE2-CG2 4.39Å; Y328-I347 WeakPolarHBondContact OH-CG2 3.18Å; I331-I347 HydrophobicContact CG2-CD1 4.43Å; E332-I347 HydrophobicContact CB-CD1 4.35Å; E332-I347 HydrophobicContact CG-CD1 4.27Å; M335-I347 HydrophobicContact CB-CD1 4.27Å; M335-I347 HydrophobicContact CE-CD1 4.3Å; M335-I347 HydrophobicContact CE-CG1 3.98Å; M335-I347 HydrophobicContact SD-CD1 3.72Å; M335-I347 HydrophobicContact SD-CG1 3.31Å; M335-I347 WeakPolarHBondContact SD-CG1 3.34Å; I347-V350 HydrophobicContact CG2-CG2 3.5Å; I347-L517 HydrophobicContact CD1-CD2 4.08Å; I347-L517 HydrophobicContact CG1-CD2 4.39Å |
| 348 | L | 96.6 | Very high | 90.2 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -56.5 | 172 | -62.6 | -176.7 | 0 | 0 | 0 | 109.5 | K323 K346 E518 E520 | K323-L348 PolarHBondContact NZ-O 3.44Å; K346-L348 PolarHBondContact O-N 3.17Å; L348-E518 HydrophobicContact CB-CG 4.18Å; L348-E518 HydrophobicContact CD1-CG 4.11Å; L348-E518 PolarHBondContact N-O 2.81Å; L348-E520 HydrophobicContact CD1-CB 4.2Å; L348-E520 HydrophobicContact CD2-CB 4.07Å; L348-E520 HydrophobicContact CG-CB 4.16Å |
| 349 | N | 97.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.7 | -175.7 | -63.7 | -58.9 | 0 | 0 | 0 | 110.6 | L320 W351 E518 | L320-N349 HydrophobicContact CD1-CB 4.04Å; N349-W351 HydrophobicContact CB-CE3 4.16Å; N349-W351 HydrophobicContact CB-CH2 3.24Å; N349-W351 HydrophobicContact CB-CZ2 3.8Å; N349-W351 HydrophobicContact CB-CZ3 3.43Å; N349-W351 VanDerWaalsContact CB-CZ3 3.43Å; N349-E518 HydrophobicContact CB-CB 4.42Å; N349-E518 PolarHBondContact N-O 3.12Å; N349-E518 PolarHBondContact ND2-OE2 3.48Å; N349-E518 PolarHBondContact O-N 3.33Å |
| 350 | V | 98.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.4 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | L321 Y328 I331 I347 F515 L516 L517 | L321-V350 HydrophobicContact CB-CB 4.44Å; L321-V350 WeakPolarHBondContact CB-O 3.25Å; L321-V350 HydrophobicContact CD1-CB 4.38Å; L321-V350 HydrophobicContact CD1-CG1 3.82Å; L321-V350 PolarHBondContact N-O 3.46Å; Y328-V350 HydrophobicContact CD2-CB 4.12Å; Y328-V350 HydrophobicContact CD2-CG2 3.92Å; Y328-V350 HydrophobicContact CE2-CB 4.1Å; Y328-V350 HydrophobicContact CE2-CG2 3.58Å; I331-V350 HydrophobicContact CD1-CG1 3.99Å; I347-V350 HydrophobicContact CG2-CG2 3.5Å; V350-F515 HydrophobicContact CG1-CB 4.18Å; V350-L516 CarbonylContact C-O 3.56Å; V350-L516 WeakPolarHBondContact CA-O 3.38Å; V350-L517 HydrophobicContact CG1-CG 4.26Å; V350-L517 HydrophobicContact CG2-CD2 4.48Å; V350-L517 HydrophobicContact CG2-CG 4.12Å |
| 351 | W | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.3 | 173.9 | -63.9 | -101.6 | 0 | 0 | 0 | 109.8 | P179 T180 L183 L318 S319 L320 N349 F515 L516 E518 | P179-W351 HydrophobicContact CB-CZ2 3.98Å; T180-W351 PolarHBondContact OG1-NE1 3.33Å; L183-W351 HydrophobicContact CB-CH2 4.09Å; L183-W351 HydrophobicContact CB-CZ2 4.1Å; L183-W351 HydrophobicContact CD2-CD2 4.16Å; L183-W351 HydrophobicContact CD2-CE3 4.14Å; L183-W351 HydrophobicContact CD2-CH2 3.96Å; L183-W351 HydrophobicContact CD2-CZ2 4.02Å; L183-W351 HydrophobicContact CD2-CZ3 4.05Å; L183-W351 HydrophobicContact CG-CH2 4.46Å; L318-W351 HydrophobicContact CB-CB 4.24Å; L318-W351 HydrophobicContact CB-CG 4.24Å; L318-W351 HydrophobicContact CD2-CB 4.39Å; S319-W351 CarbonylContact O-C 3.51Å; S319-W351 VanDerWaalsContact O-CA 3.31Å; S319-W351 WeakPolarHBondContact O-CA 3.13Å; L320-W351 HydrophobicContact CD1-CD2 4.2Å; L320-W351 HydrophobicContact CD1-CG 4.45Å; L320-W351 HydrophobicContact CD1-CZ2 4.13Å; N349-W351 HydrophobicContact CB-CE3 4.16Å; N349-W351 HydrophobicContact CB-CH2 3.24Å; N349-W351 HydrophobicContact CB-CZ2 3.8Å; N349-W351 HydrophobicContact CB-CZ3 3.43Å; N349-W351 VanDerWaalsContact CB-CZ3 3.43Å; W351-F515 CarbonylContact O-C 3.6Å; W351-F515 WeakPolarHBondContact O-CA 3.24Å; W351-L516 HydrophobicContact CD2-CD2 4.47Å; W351-L516 HydrophobicContact CE3-CD2 3.49Å; W351-L516 VanDerWaalsContact CE3-CD2 3.49Å; W351-L516 HydrophobicContact CZ3-CD2 3.7Å; W351-L516 PolarHBondContact N-O 2.76Å; W351-L516 PolarHBondContact O-N 2.95Å; W351-E518 HydrophobicContact CH2-CB 3.92Å; W351-E518 WeakPolarHBondContact CH2-OE2 3.42Å; W351-E518 HydrophobicContact CZ3-CB 3.55Å |
| 352 | E | 98.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.9 | 157.7 | -175 | 176.9 | -165.3 | 0 | 0 | 108.8 | L318 S319 L321 R514 F515 | L318-E352 WeakPolarHBondContact CA-O 3.37Å; S319-E352 PolarHBondContact N-O 3.27Å; S319-E352 PolarHBondContact O-N 3.41Å; L321-E352 HydrophobicContact CD2-CB 4.41Å; E352-R514 WeakPolarHBondContact CA-O 3.36Å; E352-F515 HydrophobicContact CB-CD1 4.45Å; E352-F515 HydrophobicContact CB-CE1 4.48Å; E352-F515 HydrophobicContact CG-CE1 4.48Å |
| 353 | V | 98.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.1 | -175.3 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | L318 L387 L513 R514 L516 | L318-V353 HydrophobicContact CD2-CB 4.46Å; L318-V353 HydrophobicContact CD2-CG1 4.42Å; L318-V353 HydrophobicContact CD2-CG2 3.93Å; V353-L387 HydrophobicContact CG1-CD2 4.17Å; V353-L513 HydrophobicContact CB-CB 4.26Å; V353-L513 HydrophobicContact CG1-CB 3.8Å; V353-L513 HydrophobicContact CG1-CD1 4.45Å; V353-R514 PolarHBondContact N-O 2.93Å; V353-L516 HydrophobicContact CG2-CB 3.64Å |
| 354 | D | 97 | Very high | 94.6 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 103.8 | 172.3 | -173.9 | 34.1 | 0 | 0 | 0 | 110.2 | K317 R512 | K317-D354 HydrophobicContact CB-CB 4.31Å; K317-D354 PolarHBondContact N-O 3.49Å; K317-D354 PolarHBondContact O-N 3.09Å; D354-R512 IonicContact OD1-CZ 3.97Å; D354-R512 IonicContact OD1-NH2 2.93Å; D354-R512 PolarHBondContact OD1-NH2 2.93Å |
| 355 | R | 96.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 138.1 | -171 | -151.5 | 179.3 | 66.8 | 79.3 | -1.5 | 110.7 | C316 K357 E358 L387 K388 S389 G390 | C316-R355 HydrophobicContact CB-CG 4.07Å; R355-K357 PolarHBondContact O-N 3.44Å; R355-E358 HydrophobicContact CB-CB 3.94Å; R355-E358 IonicContact CZ-OE1 2.91Å; R355-E358 IonicContact NE-OE1 2.61Å; R355-E358 PolarHBondContact NE-OE1 2.95Å; R355-E358 IonicContact NH2-OE1 3.06Å; R355-E358 PolarHBondContact NH2-OE1 3.36Å; R355-E358 VanDerWaalsContact NH2-OE1 3.15Å; R355-E358 PolarHBondContact O-N 2.96Å; R355-E358 VanDerWaalsContact O-N 3.12Å; R355-L387 WeakPolarHBondContact CD-O 3.47Å; R355-L387 WeakPolarHBondContact CG-O 3.42Å; R355-K388 PolarHBondContact NH1-O 3.37Å; R355-S389 PolarHBondContact NH1-O 2.95Å; R355-S389 PolarHBondContact NH2-O 2.98Å; R355-S389 VanDerWaalsContact NH2-O 3.11Å; R355-G390 VanDerWaalsContact CZ-N 3.27Å |
| 356 | E | 92.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.453 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 129.3 | -177.6 | -157.4 | -163.7 | 145.7 | 0 | 0 | 110.7 | K315 E358 | K315-E356 HydrophobicContact CB-CB 4.2Å; K315-E356 WeakPolarHBondContact CB-OE2 3.46Å; K315-E356 WeakPolarHBondContact CD-OE2 3.46Å; K315-E356 WeakPolarHBondContact O-CB 3.31Å; K315-E356 PolarHBondContact O-N 3.34Å; E356-E358 PolarHBondContact O-N 3.03Å |
| 357 | K | 91.6 | Very high | 95.2 | Very high | 135 Ų | 135 | 54.7 Ų | 54.7 | 59% | 0.587 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -2.9 | -179.9 | -48.2 | -179.5 | -177.3 | 179.6 | 0 | 116.4 | R355 E360 R361 | R355-K357 PolarHBondContact O-N 3.44Å; K357-E360 PolarHBondContact O-N 3.34Å; K357-R361 WeakPolarHBondContact O-CB 3.34Å; K357-R361 PolarHBondContact O-N 3.47Å |
| 358 | E | 93.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 179.1 | -171.8 | 164.2 | -91.2 | 0 | 0 | 111.8 | R355 E356 R361 F362 R512 L513 | R355-E358 HydrophobicContact CB-CB 3.94Å; R355-E358 IonicContact CZ-OE1 2.91Å; R355-E358 IonicContact NE-OE1 2.61Å; R355-E358 PolarHBondContact NE-OE1 2.95Å; R355-E358 IonicContact NH2-OE1 3.06Å; R355-E358 PolarHBondContact NH2-OE1 3.36Å; R355-E358 VanDerWaalsContact NH2-OE1 3.15Å; R355-E358 PolarHBondContact O-N 2.96Å; R355-E358 VanDerWaalsContact O-N 3.12Å; E356-E358 PolarHBondContact O-N 3.03Å; E358-R361 PolarHBondContact O-N 3.39Å; E358-R361 IonicContact OE1-NH2 3.54Å; E358-F362 WeakPolarHBondContact O-CB 3.39Å; E358-F362 PolarHBondContact O-N 3.36Å; E358-R512 HydrophobicContact CG-CB 4.4Å; E358-R512 HydrophobicContact CG-CG 4.07Å; E358-L513 PolarHBondContact OE2-N 3.16Å |
| 359 | G | 93.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 60.7 Ų | 60.7 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R361 F362 S363 R512 | G359-R361 PolarHBondContact O-N 3.47Å; G359-F362 PolarHBondContact O-N 2.95Å; G359-S363 PolarHBondContact O-N 2.8Å; G359-R512 VanDerWaalsContact CA-NH1 3.35Å |
| 360 | E | 93.9 | Very high | 94.8 | Very high | 141 Ų | 141 | 61.8 Ų | 61.8 | 66% | 0.659 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 175.1 | -64.8 | 174.7 | -166.8 | 0 | 0 | 111.1 | K357 F362 S363 | K357-E360 PolarHBondContact O-N 3.34Å; E360-F362 VanDerWaalsContact C-N 3.33Å; E360-F362 PolarHBondContact O-N 3.46Å; E360-S363 WeakPolarHBondContact O-CB 3.36Å; E360-S363 PolarHBondContact O-N 2.85Å; E360-S363 PolarHBondContact O-OG 3.23Å |
| 361 | R | 94.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 176.5 | -176.7 | 177.4 | 70.5 | 169.6 | 2.8 | 111.9 | K357 E358 G359 S363 E364 E508 S509 | K357-R361 WeakPolarHBondContact O-CB 3.34Å; K357-R361 PolarHBondContact O-N 3.47Å; E358-R361 PolarHBondContact O-N 3.39Å; E358-R361 IonicContact OE1-NH2 3.54Å; G359-R361 PolarHBondContact O-N 3.47Å; R361-S363 VanDerWaalsContact C-N 3.29Å; R361-S363 PolarHBondContact O-N 3.12Å; R361-E364 WeakPolarHBondContact O-CB 3.38Å; R361-E364 WeakPolarHBondContact O-CG 3.39Å; R361-E364 PolarHBondContact O-N 3.23Å; R361-E508 IonicContact NH1-OE2 2.65Å; R361-E508 PolarHBondContact NH1-OE2 2.97Å; R361-S509 WeakPolarHBondContact O-CB 3.37Å |
| 362 | F | 96.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.4 | -25.6 | -178.6 | -171.4 | -111.7 | 0 | 0 | 0 | 112.7 | E358 G359 E360 E364 N365 E431 A433 S509 R512 | E358-F362 WeakPolarHBondContact O-CB 3.39Å; E358-F362 PolarHBondContact O-N 3.36Å; G359-F362 PolarHBondContact O-N 2.95Å; E360-F362 VanDerWaalsContact C-N 3.33Å; E360-F362 PolarHBondContact O-N 3.46Å; F362-E364 PolarHBondContact O-N 3.01Å; F362-E364 VanDerWaalsContact O-N 3.16Å; F362-N365 PolarHBondContact O-N 2.91Å; F362-E431 VanDerWaalsContact CE1-CD 3.46Å; F362-E431 HydrophobicContact CE1-CG 4.26Å; F362-E431 VanDerWaalsContact CE1-OE1 3.24Å; F362-E431 WeakPolarHBondContact CE1-OE1 3.27Å; F362-E431 HydrophobicContact CZ-CB 4.35Å; F362-E431 HydrophobicContact CZ-CG 3.81Å; F362-E431 WeakPolarHBondContact CZ-OE1 3.43Å; F362-A433 HydrophobicContact CE2-CB 4.23Å; F362-A433 HydrophobicContact CZ-CB 4.31Å; F362-S509 WeakPolarHBondContact CD2-O 3.38Å; F362-R512 HydrophobicContact CB-CB 4.22Å; F362-R512 HydrophobicContact CD1-CB 4.07Å; F362-R512 HydrophobicContact CD2-CB 3.79Å; F362-R512 HydrophobicContact CE1-CB 4.34Å; F362-R512 HydrophobicContact CE2-CB 4.13Å; F362-R512 HydrophobicContact CG-CB 3.79Å; F362-R512 HydrophobicContact CZ-CB 4.38Å |
| 363 | S | 93.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.5 | -22.3 | 176.6 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | G359 E360 R361 N365 E366 | G359-S363 PolarHBondContact O-N 2.8Å; E360-S363 WeakPolarHBondContact O-CB 3.36Å; E360-S363 PolarHBondContact O-N 2.85Å; E360-S363 PolarHBondContact O-OG 3.23Å; R361-S363 VanDerWaalsContact C-N 3.29Å; R361-S363 PolarHBondContact O-N 3.12Å; S363-N365 PolarHBondContact O-N 2.75Å; S363-E366 WeakPolarHBondContact O-CB 3.37Å; S363-E366 VanDerWaalsContact O-CG 3.32Å; S363-E366 WeakPolarHBondContact O-CG 3.49Å; S363-E366 PolarHBondContact O-N 2.96Å |
| 364 | E | 94.4 | Very high | 94.8 | Very high | 133 Ų | 133 | 60.7 Ų | 60.7 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.8 | 171.4 | -67.4 | 177.9 | -176 | 0 | 0 | 113.1 | R361 F362 S509 | R361-E364 WeakPolarHBondContact O-CB 3.38Å; R361-E364 WeakPolarHBondContact O-CG 3.39Å; R361-E364 PolarHBondContact O-N 3.23Å; F362-E364 PolarHBondContact O-N 3.01Å; F362-E364 VanDerWaalsContact O-N 3.16Å; E364-S509 VanDerWaalsContact OE2-CB 3.23Å; E364-S509 WeakPolarHBondContact OE2-CB 3.38Å; E364-S509 PolarHBondContact OE2-OG 3.4Å |
| 365 | N | 94.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 14 | -175.4 | -61.1 | -76.7 | 0 | 0 | 0 | 112.5 | F362 S363 S367 L368 R371 A433 S509 Q510 | F362-N365 PolarHBondContact O-N 2.91Å; S363-N365 PolarHBondContact O-N 2.75Å; N365-S367 PolarHBondContact O-N 2.94Å; N365-S367 VanDerWaalsContact O-N 3.11Å; N365-L368 HydrophobicContact CB-CD1 3.97Å; N365-L368 HydrophobicContact CB-CG 4.25Å; N365-L368 WeakPolarHBondContact O-CB 3.46Å; N365-L368 PolarHBondContact O-N 3.37Å; N365-L368 WeakPolarHBondContact OD1-CD1 3.5Å; N365-R371 PolarHBondContact O-NH2 3.07Å; N365-A433 HydrophobicContact CB-CB 4.15Å; N365-S509 WeakPolarHBondContact ND2-CB 3.2Å; N365-S509 PolarHBondContact ND2-O 3.38Å; N365-S509 PolarHBondContact ND2-OG 3.45Å; N365-Q510 WeakPolarHBondContact OD1-CG 3.47Å |
| 366 | E | 91.4 | Very high | 94.9 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -34.1 | -179.1 | -88.3 | -179.9 | -165.2 | 0 | 0 | 114.2 | S363 L368 K478 | S363-E366 WeakPolarHBondContact O-CB 3.37Å; S363-E366 VanDerWaalsContact O-CG 3.32Å; S363-E366 WeakPolarHBondContact O-CG 3.49Å; S363-E366 PolarHBondContact O-N 2.96Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-K478 PolarHBondContact O-NZ 3.38Å |
| 367 | S | 92.8 | Very high | 95 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 74% | 0.741 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.5 | 177.9 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | N365 E369 | N365-S367 PolarHBondContact O-N 2.94Å; N365-S367 VanDerWaalsContact O-N 3.11Å; S367-E369 PolarHBondContact O-N 3.17Å |
| 368 | L | 93.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | trans | -74.8 | 122.2 | 176.7 | -62.7 | -174.3 | 0 | 0 | 0 | 109.7 | N365 E366 R371 A433 D455 Q510 | N365-L368 HydrophobicContact CB-CD1 3.97Å; N365-L368 HydrophobicContact CB-CG 4.25Å; N365-L368 WeakPolarHBondContact O-CB 3.46Å; N365-L368 PolarHBondContact O-N 3.37Å; N365-L368 WeakPolarHBondContact OD1-CD1 3.5Å; E366-L368 VanDerWaalsContact C-N 3.31Å; L368-R371 PolarHBondContact O-NE 3.09Å; L368-R371 VanDerWaalsContact O-NE 3.08Å; L368-R371 PolarHBondContact O-NH2 3.41Å; L368-A433 HydrophobicContact CB-CB 4.13Å; L368-A433 HydrophobicContact CD1-CB 4.19Å; L368-D455 HydrophobicContact CD1-CB 4.35Å; L368-D455 HydrophobicContact CD2-CB 4.37Å; L368-Q510 HydrophobicContact CD1-CG 4.34Å | ||
| 369 | E | 91.9 | Very high | 95.1 | Very high | 161 Ų | 161 | 48.7 Ų | 48.7 | 75% | 0.752 | 25% | 0.252 | S | S | * | . | trans | -83.7 | -170.6 | 167.1 | -60.5 | -171.5 | 173.3 | 0 | 0 | 110.4 | S367 G435 | S367-E369 PolarHBondContact O-N 3.17Å; E369-G435 WeakPolarHBondContact O-CA 3.17Å; E369-G435 PolarHBondContact O-N 2.98Å; E369-G435 VanDerWaalsContact O-N 3.15Å | ||
| 370 | N | 96.3 | Very high | 95.1 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | 53.2 | 69 | -179 | -177.5 | 28.2 | 0 | 0 | 0 | 112.3 | R372 L434 G435 E437 | N370-R372 PolarHBondContact OD1-NE 3.2Å; N370-L434 WeakPolarHBondContact O-CB 3.43Å; N370-L434 PolarHBondContact O-N 2.76Å; N370-G435 PolarHBondContact ND2-O 2.97Å; N370-G435 VanDerWaalsContact ND2-O 3.14Å; N370-E437 VanDerWaalsContact ND2-CD 3.29Å; N370-E437 WeakPolarHBondContact ND2-CG 3.42Å; N370-E437 PolarHBondContact ND2-OE1 3.16Å | ||
| 371 | R | 97.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.8 | 178 | -67.8 | 164.5 | -179.5 | -90.7 | -7.7 | 109.5 | N365 L368 E431 V432 A433 V480 T481 | N365-R371 PolarHBondContact O-NH2 3.07Å; L368-R371 PolarHBondContact O-NE 3.09Å; L368-R371 VanDerWaalsContact O-NE 3.08Å; L368-R371 PolarHBondContact O-NH2 3.41Å; R371-E431 WeakPolarHBondContact CD-OE1 3.32Å; R371-E431 IonicContact CZ-OE1 3.81Å; R371-E431 IonicContact NH1-OE1 2.81Å; R371-E431 PolarHBondContact NH1-OE1 3.38Å; R371-V432 WeakPolarHBondContact CA-O 3.49Å; R371-A433 HydrophobicContact CG-CB 4.43Å; R371-V480 HydrophobicContact CB-CB 4.48Å; R371-V480 HydrophobicContact CB-CG1 4.41Å; R371-V480 HydrophobicContact CB-CG2 4.02Å; R371-T481 PolarHBondContact O-N 3.4Å |
| 372 | R | 98.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 18% | 0.181 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.8 | 178.9 | -61.9 | -169.3 | -174.3 | -142.6 | -3 | 110.9 | N370 L374 V432 L434 E437 T481 Y503 | N370-R372 PolarHBondContact OD1-NE 3.2Å; R372-L374 HydrophobicContact CB-CD1 4.18Å; R372-L374 HydrophobicContact CB-CD2 3.99Å; R372-L374 HydrophobicContact CB-CG 3.84Å; R372-V432 PolarHBondContact N-O 2.9Å; R372-V432 PolarHBondContact O-N 3.17Å; R372-L434 HydrophobicContact CB-CD1 4.14Å; R372-L434 HydrophobicContact CG-CD1 3.78Å; R372-E437 IonicContact NE-OE1 2.88Å; R372-T481 WeakPolarHBondContact CA-O 3.34Å; R372-Y503 PolarHBondContact NH1-OH 2.91Å |
| 373 | L | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.5 | 167.7 | -164.2 | 73.8 | 0 | 0 | 0 | 108.1 | Y334 L429 S430 I473 V480 T481 V482 R514 F515 | Y334-L373 WeakPolarHBondContact CE1-O 3.41Å; Y334-L373 PolarHBondContact OH-O 3.44Å; L373-L429 HydrophobicContact CD1-CB 4.15Å; L373-L429 HydrophobicContact CD2-CB 4.25Å; L373-L429 HydrophobicContact CD2-CD1 3.97Å; L373-L429 HydrophobicContact CD2-CD2 4.42Å; L373-L429 HydrophobicContact CD2-CG 4.46Å; L373-L429 HydrophobicContact CG-CB 4.03Å; L373-L429 HydrophobicContact CG-CD2 4.2Å; L373-L429 HydrophobicContact CG-CG 4.5Å; L373-S430 WeakPolarHBondContact CA-O 3.42Å; L373-I473 HydrophobicContact CD2-CD1 4.15Å; L373-V480 HydrophobicContact CB-CG1 4.05Å; L373-T481 PolarHBondContact N-O 3.21Å; L373-V482 HydrophobicContact CB-CG1 4.44Å; L373-V482 HydrophobicContact CB-CG2 3.87Å; L373-V482 HydrophobicContact CD2-CG1 4.13Å; L373-V482 HydrophobicContact CD2-CG2 3.98Å; L373-R514 HydrophobicContact CD1-CB 4.2Å; L373-R514 HydrophobicContact CD1-CG 4.49Å; L373-F515 HydrophobicContact CD1-CD2 4.21Å; L373-F515 HydrophobicContact CD1-CE2 4.14Å; L373-F515 HydrophobicContact CD2-CD2 4.15Å; L373-F515 HydrophobicContact CD2-CE2 4Å |
| 374 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.3 | -171.6 | -59.8 | 172.6 | 0 | 0 | 0 | 112.4 | R372 F407 L429 S430 V432 L434 Y503 | R372-L374 HydrophobicContact CB-CD1 4.18Å; R372-L374 HydrophobicContact CB-CD2 3.99Å; R372-L374 HydrophobicContact CB-CG 3.84Å; L374-F407 HydrophobicContact CB-CB 3.68Å; L374-F407 HydrophobicContact CB-CD1 4.32Å; L374-F407 HydrophobicContact CB-CG 4.23Å; L374-F407 HydrophobicContact CD1-CB 3.87Å; L374-F407 HydrophobicContact CD1-CG 4.49Å; L374-F407 HydrophobicContact CG-CB 4.43Å; L374-L429 WeakPolarHBondContact O-CA 2.81Å; L374-S430 PolarHBondContact N-O 2.97Å; L374-S430 PolarHBondContact O-N 2.91Å; L374-V432 HydrophobicContact CB-CG2 4.33Å; L374-V432 HydrophobicContact CD1-CB 4.12Å; L374-V432 HydrophobicContact CD1-CG2 4.08Å; L374-V432 HydrophobicContact CG-CG2 4.49Å; L374-L434 HydrophobicContact CD1-CD1 4.49Å; L374-Y503 HydrophobicContact CD1-CD1 4.01Å; L374-Y503 HydrophobicContact CD1-CD2 4.2Å; L374-Y503 HydrophobicContact CD1-CG 3.68Å; L374-Y503 HydrophobicContact CD2-CD2 4.3Å; L374-Y503 HydrophobicContact CD2-CE2 4.44Å |
| 375 | W | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 138.4 | -177.7 | -63.9 | 105.6 | 0 | 0 | 0 | 112.3 | I331 Y334 M335 F407 A408 N411 S414 M427 L429 L517 | I331-W375 HydrophobicContact CG2-CH2 4.48Å; Y334-W375 AromaticContact CD1-CE2 3.78Å; Y334-W375 AromaticContact CD1-CZ2 3.61Å; Y334-W375 HydrophobicContact CD1-CZ2 3.61Å; Y334-W375 AromaticContact CD1-NE1 3.72Å; Y334-W375 HydrophobicContact CD2-CZ2 4.28Å; Y334-W375 AromaticContact CD2-NE1 3.67Å; Y334-W375 AromaticContact CE1-CD1 3.96Å; Y334-W375 AromaticContact CE1-CE2 3.75Å; Y334-W375 HydrophobicContact CE1-CZ2 4.08Å; Y334-W375 AromaticContact CE1-NE1 3.35Å; Y334-W375 AromaticContact CE2-NE1 3.27Å; Y334-W375 VanDerWaalsContact CE2-NE1 3.27Å; Y334-W375 AromaticContact CG-CZ2 3.72Å; Y334-W375 HydrophobicContact CG-CZ2 3.72Å; Y334-W375 AromaticContact CG-NE1 3.88Å; Y334-W375 AromaticContact CZ-CD1 3.56Å; Y334-W375 AromaticContact CZ-CE2 3.98Å; Y334-W375 AromaticContact CZ-NE1 3.1Å; M335-W375 HydrophobicContact CB-CH2 4.07Å; M335-W375 HydrophobicContact CB-CZ2 4.1Å; M335-W375 HydrophobicContact CE-CH2 4.12Å; M335-W375 HydrophobicContact CE-CZ3 4.24Å; W375-F407 WeakPolarHBondContact O-CA 3.36Å; W375-A408 WeakPolarHBondContact CB-O 3.5Å; W375-A408 PolarHBondContact N-O 3.18Å; W375-A408 PolarHBondContact O-N 3.15Å; W375-N411 HydrophobicContact CD2-CB 4.31Å; W375-N411 HydrophobicContact CG-CB 4.46Å; W375-N411 HydrophobicContact CZ2-CB 4.39Å; W375-S414 WeakPolarHBondContact CB-OG 3.43Å; W375-S414 PolarHBondContact O-OG 3.28Å; W375-S414 VanDerWaalsContact O-OG 3.06Å; W375-M427 HydrophobicContact CB-CE 4.4Å; W375-M427 HydrophobicContact CD2-CE 4.44Å; W375-M427 HydrophobicContact CE3-CE 4.02Å; W375-L429 HydrophobicContact CD2-CD2 3.44Å; W375-L429 VanDerWaalsContact CD2-CD2 3.44Å; W375-L429 HydrophobicContact CD2-CG 4.26Å; W375-L429 HydrophobicContact CE3-CD1 4.43Å; W375-L429 HydrophobicContact CE3-CD2 3.37Å; W375-L429 HydrophobicContact CE3-CG 3.67Å; W375-L429 HydrophobicContact CG-CD2 4.05Å; W375-L429 HydrophobicContact CH2-CD1 3.74Å; W375-L429 HydrophobicContact CH2-CD2 3.89Å; W375-L429 HydrophobicContact CH2-CG 3.91Å; W375-L429 HydrophobicContact CZ2-CD1 4.33Å; W375-L429 HydrophobicContact CZ2-CD2 3.95Å; W375-L429 HydrophobicContact CZ2-CG 4.46Å; W375-L429 HydrophobicContact CZ3-CD1 3.81Å; W375-L429 HydrophobicContact CZ3-CD2 3.61Å; W375-L429 HydrophobicContact CZ3-CG 3.48Å; W375-L429 VanDerWaalsContact CZ3-CG 3.48Å; W375-L517 HydrophobicContact CH2-CD2 3.81Å; W375-L517 HydrophobicContact CZ3-CD1 3.93Å; W375-L517 HydrophobicContact CZ3-CD2 3.68Å; W375-L517 HydrophobicContact CZ3-CG 4.44Å |
| 376 | H | 97.2 | Very high | 95.3 | Very high | 34 Ų | 34 | 29.8 Ų | 29.8 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 111 | 166.6 | -174.2 | 86.6 | 0 | 0 | 0 | 109.3 | L391 Y406 F407 F428 | H376-L391 WeakPolarHBondContact NE2-CD2 3.44Å; H376-Y406 PolarHBondContact ND1-O 2.87Å; H376-F407 HydrophobicContact CB-CD1 4.01Å; H376-F407 HydrophobicContact CB-CE1 4.14Å; H376-F428 HydrophobicContact CB-CB 4.34Å; H376-F428 PolarHBondContact N-O 3.38Å; H376-F428 PolarHBondContact O-N 3.47Å |
| 377 | G | 94.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 145.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S414 Y417 | G377-S414 WeakPolarHBondContact CA-O 3.39Å; G377-Y417 WeakPolarHBondContact O-CB 3.32Å |
| 378 | T | 93.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 10% | 0.104 | 10% | 0.103 | C | C | . | . | trans | -151.2 | 170.3 | -174 | -163.9 | 0 | 0 | 0 | 0 | 112.7 | V382 V383 I386 Y417 V418 R419 F428 | T378-V382 HydrophobicContact CG2-CG2 4.12Å; T378-V382 WeakPolarHBondContact OG1-CG2 3.49Å; T378-V383 HydrophobicContact CG2-CG2 4.2Å; T378-I386 HydrophobicContact CG2-CD1 3.95Å; T378-Y417 CarbonylContact C-O 3.12Å; T378-V418 WeakPolarHBondContact O-CA 3.06Å; T378-R419 PolarHBondContact O-N 2.77Å; T378-F428 HydrophobicContact CG2-CD2 4.22Å; T378-F428 HydrophobicContact CG2-CE2 3.94Å | ||
| 379 | N | 93.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 22 Ų | 22 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 133.8 | 171 | -171.6 | -25.9 | 0 | 0 | 0 | 109.9 | A381 V382 R419 | N379-A381 PolarHBondContact O-N 3.4Å; N379-A381 VanDerWaalsContact O-N 3.09Å; N379-A381 WeakPolarHBondContact OD1-CB 3.33Å; N379-A381 PolarHBondContact OD1-N 2.7Å; N379-V382 HydrophobicContact CB-CG2 4.46Å; N379-V382 WeakPolarHBondContact O-CG2 3.24Å; N379-V382 PolarHBondContact O-N 2.76Å; N379-R419 HydrophobicContact CB-CB 4.04Å; N379-R419 HydrophobicContact CB-CG 4.27Å |
| 380 | I | 94.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.015 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -57.3 | -28.5 | 178.2 | -166.5 | 162.1 | 0 | 0 | 0 | 112.8 | L186 M192 V382 V383 R419 V426 | L186-I380 HydrophobicContact CD1-CD1 4.08Å; L186-I380 HydrophobicContact CD2-CD1 3.53Å; L186-I380 HydrophobicContact CG-CD1 3.66Å; M192-I380 HydrophobicContact CG-CG1 4.48Å; M192-I380 HydrophobicContact CG-CG2 3.65Å; M192-I380 HydrophobicContact SD-CG2 3.79Å; I380-V382 PolarHBondContact O-N 2.77Å; I380-V383 HydrophobicContact CG1-CG2 4.49Å; I380-V383 WeakPolarHBondContact O-CB 3.34Å; I380-V383 WeakPolarHBondContact O-CG2 3.45Å; I380-V383 PolarHBondContact O-N 3.32Å; I380-R419 WeakPolarHBondContact CG2-O 3.38Å; I380-R419 PolarHBondContact N-O 2.91Å; I380-R419 VanDerWaalsContact N-O 3.12Å; I380-V426 HydrophobicContact CD1-CG2 4.35Å; I380-V426 HydrophobicContact CG1-CG2 4.35Å |
| 381 | A | 93.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.008 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -64.3 | -17.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | M192 F193 A196 V278 I282 N379 | M192-A381 WeakPolarHBondContact SD-CA 3.36Å; M192-A381 HydrophobicContact SD-CB 3.78Å; F193-A381 HydrophobicContact CD1-CB 4.01Å; F193-A381 HydrophobicContact CE1-CB 4.38Å; F193-A381 WeakPolarHBondContact CE1-O 3.44Å; A196-A381 HydrophobicContact CB-CB 3.6Å; V278-A381 HydrophobicContact CG1-CB 4.24Å; I282-A381 HydrophobicContact CD1-CB 4.11Å; I282-A381 HydrophobicContact CG1-CB 4.03Å; N379-A381 PolarHBondContact O-N 3.4Å; N379-A381 VanDerWaalsContact O-N 3.09Å; N379-A381 WeakPolarHBondContact OD1-CB 3.33Å; N379-A381 PolarHBondContact OD1-N 2.7Å |
| 382 | V | 94.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -103.9 | -1.4 | 179.8 | -52.6 | 0 | 0 | 0 | 0 | 113.2 | V278 D281 T378 N379 I380 A384 A385 I386 | V278-V382 HydrophobicContact CB-CG1 4.19Å; V278-V382 HydrophobicContact CG1-CG1 4.03Å; V278-V382 HydrophobicContact CG2-CG1 3.97Å; D281-V382 HydrophobicContact CB-CB 4.03Å; D281-V382 HydrophobicContact CB-CG1 3.76Å; T378-V382 HydrophobicContact CG2-CG2 4.12Å; T378-V382 WeakPolarHBondContact OG1-CG2 3.49Å; N379-V382 HydrophobicContact CB-CG2 4.46Å; N379-V382 WeakPolarHBondContact O-CG2 3.24Å; N379-V382 PolarHBondContact O-N 2.76Å; I380-V382 PolarHBondContact O-N 2.77Å; V382-A384 PolarHBondContact O-N 3.01Å; V382-A385 PolarHBondContact O-N 2.77Å; V382-I386 HydrophobicContact CB-CD1 4.48Å; V382-I386 HydrophobicContact CG2-CD1 3.69Å; V382-I386 HydrophobicContact CG2-CG1 4.42Å; V382-I386 WeakPolarHBondContact O-CG1 3.34Å; V382-I386 PolarHBondContact O-N 3.11Å |
| 383 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | -175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | I187 T378 I380 A385 I386 L387 V426 F428 L516 | I187-V383 HydrophobicContact CD1-CG1 4.48Å; I187-V383 HydrophobicContact CG2-CB 3.96Å; I187-V383 HydrophobicContact CG2-CG1 3.75Å; T378-V383 HydrophobicContact CG2-CG2 4.2Å; I380-V383 HydrophobicContact CG1-CG2 4.49Å; I380-V383 WeakPolarHBondContact O-CB 3.34Å; I380-V383 WeakPolarHBondContact O-CG2 3.45Å; I380-V383 PolarHBondContact O-N 3.32Å; V383-A385 VanDerWaalsContact C-N 3.32Å; V383-A385 PolarHBondContact O-N 3.08Å; V383-I386 PolarHBondContact O-N 2.76Å; V383-L387 HydrophobicContact CG1-CD1 4Å; V383-L387 HydrophobicContact CG1-CG 4.3Å; V383-L387 WeakPolarHBondContact O-CB 3.42Å; V383-L387 WeakPolarHBondContact O-CG 3.13Å; V383-L387 PolarHBondContact O-N 3.16Å; V383-V426 HydrophobicContact CG1-CG1 4.19Å; V383-V426 HydrophobicContact CG2-CB 3.74Å; V383-V426 HydrophobicContact CG2-CG1 3.78Å; V383-V426 HydrophobicContact CG2-CG2 4.12Å; V383-F428 HydrophobicContact CG1-CZ 4.12Å; V383-F428 HydrophobicContact CG2-CE2 4.48Å; V383-L516 HydrophobicContact CG1-CD1 4.07Å |
| 384 | A | 96 | Very high | 93 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I187 F188 A285 L314 V382 L387 K388 | I187-A384 HydrophobicContact CB-CB 4.44Å; I187-A384 HydrophobicContact CD1-CB 4.28Å; I187-A384 HydrophobicContact CG1-CB 4.36Å; F188-A384 HydrophobicContact CE1-CB 4.48Å; F188-A384 HydrophobicContact CZ-CB 4.3Å; A285-A384 HydrophobicContact CB-CB 3.99Å; L314-A384 HydrophobicContact CD2-CB 4.11Å; V382-A384 PolarHBondContact O-N 3.01Å; A384-L387 PolarHBondContact O-N 3.41Å; A384-K388 WeakPolarHBondContact O-CB 3.23Å; A384-K388 PolarHBondContact O-N 2.76Å |
| 385 | A | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D281 L284 V382 V383 K388 S389 | D281-A385 HydrophobicContact CB-CB 3.56Å; L284-A385 HydrophobicContact CD2-CB 3.93Å; V382-A385 PolarHBondContact O-N 2.77Å; V383-A385 VanDerWaalsContact C-N 3.32Å; V383-A385 PolarHBondContact O-N 3.08Å; A385-K388 PolarHBondContact O-N 2.95Å; A385-S389 WeakPolarHBondContact O-CB 3.48Å; A385-S389 PolarHBondContact O-N 3.43Å; A385-S389 PolarHBondContact O-OG 3.36Å |
| 386 | I | 95.9 | Very high | 88.3 | Confident | 9 Ų | 9 | 17 Ų | 17 | 5% | 0.046 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 175.4 | -68.6 | 169.2 | 0 | 0 | 0 | 110.8 | T378 V382 V383 K388 S389 G390 L391 F428 L513 | T378-I386 HydrophobicContact CG2-CD1 3.95Å; V382-I386 HydrophobicContact CB-CD1 4.48Å; V382-I386 HydrophobicContact CG2-CD1 3.69Å; V382-I386 HydrophobicContact CG2-CG1 4.42Å; V382-I386 WeakPolarHBondContact O-CG1 3.34Å; V382-I386 PolarHBondContact O-N 3.11Å; V383-I386 PolarHBondContact O-N 2.76Å; I386-K388 PolarHBondContact O-N 3.47Å; I386-S389 PolarHBondContact O-N 3.08Å; I386-G390 WeakPolarHBondContact O-CA 3.47Å; I386-G390 PolarHBondContact O-N 3.19Å; I386-L391 HydrophobicContact CD1-CD2 4.01Å; I386-L391 HydrophobicContact CG1-CD2 4.22Å; I386-L391 HydrophobicContact CG2-CD2 3.93Å; I386-L391 HydrophobicContact CG2-CG 4.43Å; I386-F428 HydrophobicContact CB-CE2 4.29Å; I386-F428 HydrophobicContact CB-CZ 4.19Å; I386-F428 HydrophobicContact CD1-CE2 3.97Å; I386-F428 HydrophobicContact CG2-CD2 4.43Å; I386-F428 HydrophobicContact CG2-CE1 4.2Å; I386-F428 HydrophobicContact CG2-CE2 3.8Å; I386-F428 HydrophobicContact CG2-CZ 3.65Å; I386-L513 HydrophobicContact CG2-CD1 3.68Å |
| 387 | L | 96.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.4 | -30.3 | 175.8 | -70.4 | 177.4 | 0 | 0 | 0 | 112 | I187 L314 C316 L318 V353 R355 V383 A384 F428 L516 | I187-L387 HydrophobicContact CD1-CD1 3.95Å; L314-L387 HydrophobicContact CD1-CB 4.42Å; L314-L387 HydrophobicContact CD1-CD1 4.03Å; L314-L387 HydrophobicContact CD2-CB 4.28Å; C316-L387 HydrophobicContact CB-CB 4.4Å; C316-L387 WeakPolarHBondContact CB-O 3.29Å; L318-L387 HydrophobicContact CD1-CD1 4.3Å; L318-L387 HydrophobicContact CD2-CD2 4.13Å; V353-L387 HydrophobicContact CG1-CD2 4.17Å; R355-L387 WeakPolarHBondContact CD-O 3.47Å; R355-L387 WeakPolarHBondContact CG-O 3.42Å; V383-L387 HydrophobicContact CG1-CD1 4Å; V383-L387 HydrophobicContact CG1-CG 4.3Å; V383-L387 WeakPolarHBondContact O-CB 3.42Å; V383-L387 WeakPolarHBondContact O-CG 3.13Å; V383-L387 PolarHBondContact O-N 3.16Å; A384-L387 PolarHBondContact O-N 3.41Å; L387-F428 HydrophobicContact CD2-CE1 4Å; L387-F428 HydrophobicContact CD2-CZ 4.4Å; L387-L516 HydrophobicContact CD1-CD1 4.05Å; L387-L516 HydrophobicContact CD2-CD1 4.01Å; L387-L516 HydrophobicContact CG-CD1 4.37Å |
| 388 | K | 94.6 | Very high | 84.9 | Confident | 45 Ų | 45 | 17.8 Ų | 17.8 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76.5 | -47.9 | 175.5 | 179.3 | 62.8 | 170.7 | -153.9 | 0 | 113.6 | L288 S313 L314 R355 A384 A385 I386 | L288-K388 HydrophobicContact CD1-CB 4.23Å; L288-K388 HydrophobicContact CD1-CD 4.41Å; L288-K388 HydrophobicContact CD1-CG 4.13Å; L288-K388 HydrophobicContact CD2-CD 4.34Å; S313-K388 WeakPolarHBondContact O-CD 3.25Å; S313-K388 PolarHBondContact O-NZ 2.84Å; L314-K388 WeakPolarHBondContact O-CA 3.3Å; L314-K388 WeakPolarHBondContact O-CD 3.28Å; R355-K388 PolarHBondContact NH1-O 3.37Å; A384-K388 WeakPolarHBondContact O-CB 3.23Å; A384-K388 PolarHBondContact O-N 2.76Å; A385-K388 PolarHBondContact O-N 2.95Å; I386-K388 PolarHBondContact O-N 3.47Å |
| 389 | S | 91.3 | Very high | 84 | Confident | 40 Ų | 40 | 18.3 Ų | 18.3 | 28% | 0.28 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -113.6 | -15.1 | -163.5 | -53.8 | 0 | 0 | 0 | 0 | 113.9 | R355 A385 I386 | R355-S389 PolarHBondContact NH1-O 2.95Å; R355-S389 PolarHBondContact NH2-O 2.98Å; R355-S389 VanDerWaalsContact NH2-O 3.11Å; A385-S389 WeakPolarHBondContact O-CB 3.48Å; A385-S389 PolarHBondContact O-N 3.43Å; A385-S389 PolarHBondContact O-OG 3.36Å; I386-S389 PolarHBondContact O-N 3.08Å |
| 390 | G | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | 83.9 | 176.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R355 I386 | R355-G390 VanDerWaalsContact CZ-N 3.27Å; I386-G390 WeakPolarHBondContact O-CA 3.47Å; I386-G390 PolarHBondContact O-N 3.19Å | ||
| 391 | L | 93.3 | Very high | 83.4 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | trans | -69.2 | 133.3 | 170.2 | -63.3 | 174.6 | 0 | 0 | 0 | 109.6 | H376 I386 I405 F407 L513 | H376-L391 WeakPolarHBondContact NE2-CD2 3.44Å; I386-L391 HydrophobicContact CD1-CD2 4.01Å; I386-L391 HydrophobicContact CG1-CD2 4.22Å; I386-L391 HydrophobicContact CG2-CD2 3.93Å; I386-L391 HydrophobicContact CG2-CG 4.43Å; L391-I405 HydrophobicContact CB-CD1 3.88Å; L391-I405 HydrophobicContact CB-CG2 4.07Å; L391-I405 HydrophobicContact CD1-CG2 3.93Å; L391-F407 HydrophobicContact CD1-CE1 3.7Å; L391-F407 HydrophobicContact CD1-CZ 3.8Å; L391-L513 HydrophobicContact CD1-CD2 3.87Å; L391-L513 HydrophobicContact CG-CD2 4.01Å | ||
| 392 | R | 89.4 | Confident | 83.2 | Confident | 59 Ų | 59 | 20.7 Ų | 20.7 | 22% | 0.223 | 12% | 0.116 | C | C | . | . | trans | -115.8 | 142.9 | -175.7 | -72.4 | 168.8 | -69.2 | 158.4 | 6.7 | 111.5 | A25 D281 M394 E508 | A25-R392 HydrophobicContact CB-CB 4.34Å; D281-R392 IonicContact OD1-CZ 3.47Å; D281-R392 IonicContact OD1-NH1 3.15Å; D281-R392 PolarHBondContact OD1-NH1 3.02Å; D281-R392 IonicContact OD1-NH2 3.9Å; D281-R392 PolarHBondContact OD1-NH2 3.34Å; D281-R392 IonicContact OD2-NH2 2.87Å; D281-R392 PolarHBondContact OD2-NH2 3.2Å; R392-M394 HydrophobicContact CB-SD 4.23Å; R392-E508 VanDerWaalsContact CA-OE1 3.22Å; R392-E508 WeakPolarHBondContact CA-OE1 3.36Å | ||
| 393 | I | 84.8 | Confident | 82.9 | Confident | 19 Ų | 19 | 20.8 Ų | 20.8 | 10% | 0.097 | 12% | 0.117 | C | C | . | . | trans | -85.8 | 117.3 | 173.2 | -66.1 | 167.1 | 0 | 0 | 0 | 108.3 | A25 P395 S403 I405 Y506 K507 E508 | A25-I393 WeakPolarHBondContact CB-O 3.43Å; I393-P395 HydrophobicContact CG2-CG 4.33Å; I393-P395 WeakPolarHBondContact O-CD 3.38Å; I393-P395 WeakPolarHBondContact O-CG 3.33Å; I393-S403 WeakPolarHBondContact CG2-O 3.28Å; I393-I405 HydrophobicContact CD1-CG1 4.29Å; I393-I405 HydrophobicContact CG1-CD1 4.02Å; I393-I405 HydrophobicContact CG1-CG1 3.44Å; I393-I405 VanDerWaalsContact CG1-CG1 3.44Å; I393-Y506 VanDerWaalsContact CD1-O 3.3Å; I393-Y506 WeakPolarHBondContact CD1-O 3.49Å; I393-K507 VanDerWaalsContact CD1-N 3.3Å; I393-E508 HydrophobicContact CB-CG 4.41Å; I393-E508 HydrophobicContact CD1-CG 4.09Å; I393-E508 HydrophobicContact CG1-CG 3.97Å; I393-E508 PolarHBondContact N-OE1 2.69Å | ||
| 394 | M | 67.8 | Low | 82.6 | Confident | 25 Ų | 25 | 21.3 Ų | 21.3 | 12% | 0.123 | 12% | 0.122 | C | C | . | . | trans | -95.7 | 104.6 | -179.3 | -59.7 | -52.3 | -45.6 | 0 | 0 | 110.4 | A25 F26 M277 R392 H396 S397 S403 | A25-M394 HydrophobicContact CB-CE 3.76Å; A25-M394 HydrophobicContact CB-SD 3.41Å; A25-M394 WeakPolarHBondContact CB-SD 3.38Å; F26-M394 VanDerWaalsContact CA-CE 3.5Å; F26-M394 HydrophobicContact CB-CE 3.65Å; F26-M394 VanDerWaalsContact N-CE 3.3Å; M277-M394 HydrophobicContact CE-CE 3.16Å; M277-M394 HydrophobicContact CE-CG 4.44Å; M277-M394 HydrophobicContact CE-SD 3.39Å; M277-M394 WeakPolarHBondContact CE-SD 3.45Å; M277-M394 HydrophobicContact CG-CE 3.84Å; M277-M394 HydrophobicContact SD-CE 3.13Å; M277-M394 WeakPolarHBondContact SD-CE 3.03Å; M277-M394 HydrophobicContact SD-SD 4.16Å; R392-M394 HydrophobicContact CB-SD 4.23Å; M394-H396 VanDerWaalsContact C-N 3.29Å; M394-H396 PolarHBondContact O-N 3.14Å; M394-S397 VanDerWaalsContact CB-CB 3.45Å; M394-S397 WeakPolarHBondContact CB-OG 3.33Å; M394-S397 CarbonylContact O-C 3.58Å; M394-S397 WeakPolarHBondContact O-CA 3.27Å; M394-S397 WeakPolarHBondContact O-CB 3.14Å; M394-S397 PolarHBondContact O-N 3.03Å; M394-S403 WeakPolarHBondContact O-CB 3.48Å | ||
| 395 | P | 48.2 | Very low | 82.5 | Confident | 23 Ų | 23 | 21.5 Ų | 21.5 | 15% | 0.149 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.3 | -164.3 | -26.4 | 47.1 | 0 | 0 | 0 | 115.1 | D24 I393 S403 | D24-P395 VanDerWaalsContact CA-CG 3.47Å; D24-P395 HydrophobicContact CB-CB 3.4Å; D24-P395 VanDerWaalsContact CB-CB 3.4Å; D24-P395 HydrophobicContact CB-CG 3.27Å; D24-P395 VanDerWaalsContact OD1-CD 3.32Å; D24-P395 WeakPolarHBondContact OD1-CD 3.43Å; I393-P395 HydrophobicContact CG2-CG 4.33Å; I393-P395 WeakPolarHBondContact O-CD 3.38Å; I393-P395 WeakPolarHBondContact O-CG 3.33Å; P395-S403 PolarHBondContact O-OG 3.18Å |
| 396 | H | 50.7 | Low | 82.6 | Confident | 40 Ų | 40 | 24 Ų | 24 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -11.6 | 164.7 | -66.4 | -69.6 | 0 | 0 | 0 | 112.2 | D24 F26 T27 E270 K273 M394 G398 | D24-H396 IonicContact OD1-CD2 3.62Å; D24-H396 IonicContact OD1-NE2 2.82Å; D24-H396 IonicContact OD2-CD2 2.76Å; D24-H396 PolarHBondContact OD2-CD2 3.02Å; D24-H396 IonicContact OD2-NE2 3.9Å; D24-H396 PolarHBondContact OD2-NE2 3.47Å; F26-H396 HydrophobicContact CB-CB 3.94Å; F26-H396 HydrophobicContact CD1-CB 4.01Å; F26-H396 AromaticContact CD1-CD2 3.1Å; F26-H396 WeakPolarHBondContact CD1-CD2 3.37Å; F26-H396 AromaticContact CD1-CG 3.74Å; F26-H396 AromaticContact CD1-NE2 3.91Å; F26-H396 HydrophobicContact CD2-CB 3.71Å; F26-H396 HydrophobicContact CE1-CB 4.38Å; F26-H396 AromaticContact CE1-CD2 3.78Å; F26-H396 HydrophobicContact CE2-CB 4.06Å; F26-H396 HydrophobicContact CG-CB 3.65Å; F26-H396 AromaticContact CG-CD2 3.45Å; F26-H396 VanDerWaalsContact CG-CD2 3.45Å; F26-H396 WeakPolarHBondContact CG-CD2 3.11Å; F26-H396 AromaticContact CG-CG 3.86Å; F26-H396 HydrophobicContact CZ-CB 4.39Å; T27-H396 PolarHBondContact OG1-NE2 3.08Å; E270-H396 VanDerWaalsContact OE2-O 3.08Å; K273-H396 HydrophobicContact CD-CB 4.03Å; K273-H396 WeakPolarHBondContact CD-O 3.14Å; K273-H396 WeakPolarHBondContact CE-O 3.43Å; K273-H396 PolarHBondContact NZ-O 3.43Å; M394-H396 VanDerWaalsContact C-N 3.29Å; M394-H396 PolarHBondContact O-N 3.14Å; H396-G398 PolarHBondContact O-N 2.8Å |
| 397 | S | 56.1 | Low | 82.7 | Confident | 29 Ų | 29 | 23.8 Ų | 23.8 | 20% | 0.203 | 13% | 0.132 | C | C | . | . | trans | -83.6 | 112.1 | 167.9 | -53.5 | 0 | 0 | 0 | 0 | 108.3 | E270 M394 S403 | E270-S397 VanDerWaalsContact OE2-CA 3.29Å; E270-S397 WeakPolarHBondContact OE2-CA 3.41Å; M394-S397 VanDerWaalsContact CB-CB 3.45Å; M394-S397 WeakPolarHBondContact CB-OG 3.33Å; M394-S397 CarbonylContact O-C 3.58Å; M394-S397 WeakPolarHBondContact O-CA 3.27Å; M394-S397 WeakPolarHBondContact O-CB 3.14Å; M394-S397 PolarHBondContact O-N 3.03Å; S397-S403 WeakPolarHBondContact O-CA 3.34Å; S397-S403 WeakPolarHBondContact O-CB 3.43Å; S397-S403 PolarHBondContact O-OG 3.3Å | ||
| 398 | G | 63 | Low | 82.7 | Confident | 27 Ų | 27 | 23.9 Ų | 23.9 | 28% | 0.278 | 13% | 0.133 | S | C | . | . | trans | -104.4 | 131.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E270 H396 | E270-G398 PolarHBondContact OE2-N 2.85Å; H396-G398 PolarHBondContact O-N 2.8Å | ||
| 399 | G | 76.1 | Confident | 82.8 | Confident | 28 Ų | 28 | 21.7 Ų | 21.7 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | B | Isolated β-bridge | trans | -103.4 | -164.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V401 G402 Y406 C445 | G399-V401 PolarHBondContact O-N 3.49Å; G399-G402 PolarHBondContact N-O 2.78Å; G399-G402 PolarHBondContact O-N 3.43Å; G399-Y406 VanDerWaalsContact C-OH 3.26Å; G399-Y406 WeakPolarHBondContact CA-OH 3.26Å; G399-Y406 PolarHBondContact N-OH 3.43Å; G399-C445 WeakPolarHBondContact O-CB 3.11Å |
| 400 | R | 85.3 | Confident | 83 | Confident | 76 Ų | 76 | 20.4 Ų | 20.4 | 29% | 0.287 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.5 | 175.6 | -61.9 | -178.1 | 65.1 | -167.2 | -0.8 | 113.4 | D443 D444 S497 F498 | R400-D443 WeakPolarHBondContact CB-OD2 3.45Å; R400-D443 VanDerWaalsContact CG-OD2 3.3Å; R400-D443 WeakPolarHBondContact CG-OD2 3.37Å; R400-D443 IonicContact CZ-OD1 3.48Å; R400-D443 IonicContact CZ-OD2 2.75Å; R400-D443 IonicContact NE-OD1 3.43Å; R400-D443 PolarHBondContact NE-OD1 3.15Å; R400-D443 IonicContact NE-OD2 3.33Å; R400-D443 PolarHBondContact NE-OD2 3.08Å; R400-D443 IonicContact NH2-OD1 2.78Å; R400-D443 PolarHBondContact NH2-OD1 2.79Å; R400-D443 IonicContact NH2-OD2 3.4Å; R400-D443 CarbonylContact O-C 3.57Å; R400-D443 VanDerWaalsContact O-CA 3.27Å; R400-D443 WeakPolarHBondContact O-CA 3.5Å; R400-D444 CarbonylContact O-C 3.57Å; R400-D444 PolarHBondContact O-N 2.8Å; R400-S497 PolarHBondContact NH2-O 3.13Å; R400-S497 PolarHBondContact NH2-OG 3.5Å; R400-F498 HydrophobicContact CB-CE1 3.78Å; R400-F498 HydrophobicContact CB-CZ 4.17Å; R400-F498 VanDerWaalsContact CZ-CD1 3.4Å; R400-F498 VanDerWaalsContact CZ-CE1 3.42Å; R400-F498 VanDerWaalsContact NH1-CD1 3.28Å |
| 401 | V | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 26.7 | -175.3 | -162 | 0 | 0 | 0 | 0 | 111 | G399 Y406 I440 D444 L447 V457 A459 F498 L504 Y506 | G399-V401 PolarHBondContact O-N 3.49Å; V401-Y406 WeakPolarHBondContact CA-OH 3.37Å; V401-Y406 HydrophobicContact CB-CE1 4.16Å; V401-Y406 HydrophobicContact CG2-CE1 4.31Å; V401-Y406 PolarHBondContact N-OH 2.77Å; V401-I440 HydrophobicContact CB-CD1 4.28Å; V401-I440 HydrophobicContact CG1-CD1 3.39Å; V401-I440 HydrophobicContact CG1-CG1 4.5Å; V401-I440 HydrophobicContact CG2-CD1 4.08Å; V401-D444 CarbonylContact C-O 3.58Å; V401-D444 VanDerWaalsContact CA-O 3.31Å; V401-D444 WeakPolarHBondContact CA-O 3.37Å; V401-L447 HydrophobicContact CG1-CD1 3.76Å; V401-V457 HydrophobicContact CG1-CB 4.39Å; V401-V457 HydrophobicContact CG1-CG1 3.6Å; V401-A459 HydrophobicContact CG2-CB 3.72Å; V401-F498 HydrophobicContact CG2-CE1 3.81Å; V401-F498 HydrophobicContact CG2-CZ 3.79Å; V401-L504 HydrophobicContact CB-CD1 3.65Å; V401-L504 HydrophobicContact CB-CD2 3.55Å; V401-L504 HydrophobicContact CB-CG 4.23Å; V401-L504 HydrophobicContact CG1-CD1 3.71Å; V401-L504 HydrophobicContact CG1-CD2 3.8Å; V401-L504 HydrophobicContact CG1-CG 4.29Å; V401-L504 HydrophobicContact CG2-CD1 3.87Å; V401-L504 WeakPolarHBondContact O-CD2 3.42Å; V401-Y506 PolarHBondContact O-OH 3.04Å |
| 402 | G | 88.6 | Confident | 83 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | 79.7 | -151.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G399 Y406 D444 C445 L447 | G399-G402 PolarHBondContact N-O 2.78Å; G399-G402 PolarHBondContact O-N 3.43Å; G402-Y406 PolarHBondContact N-OH 3.16Å; G402-Y406 VanDerWaalsContact N-OH 3.1Å; G402-Y406 WeakPolarHBondContact O-CE2 3.45Å; G402-Y406 PolarHBondContact O-OH 2.97Å; G402-D444 PolarHBondContact N-O 2.83Å; G402-C445 WeakPolarHBondContact CA-O 3.5Å; G402-L447 CarbonylContact C-O 3.57Å; G402-L447 VanDerWaalsContact CA-O 3.23Å; G402-L447 WeakPolarHBondContact CA-O 3.13Å |
| 403 | S | 88.3 | Confident | 83.2 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -104 | 93.1 | -170.8 | -60.8 | 0 | 0 | 0 | 0 | 112 | I393 M394 P395 S397 L447 Y506 | I393-S403 WeakPolarHBondContact CG2-O 3.28Å; M394-S403 WeakPolarHBondContact O-CB 3.48Å; P395-S403 PolarHBondContact O-OG 3.18Å; S397-S403 WeakPolarHBondContact O-CA 3.34Å; S397-S403 WeakPolarHBondContact O-CB 3.43Å; S397-S403 PolarHBondContact O-OG 3.3Å; S403-L447 PolarHBondContact N-O 3.2Å; S403-Y506 WeakPolarHBondContact O-CD1 3.45Å |
| 404 | G | 91.1 | Very high | 83.6 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 11% | 0.113 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -148.4 | -176 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y406 I505 | G404-Y406 WeakPolarHBondContact O-CD2 3.35Å; G404-I505 CarbonylContact C-O 3.58Å; G404-I505 VanDerWaalsContact CA-O 3.25Å; G404-I505 WeakPolarHBondContact CA-O 3.3Å |
| 405 | I | 94.1 | Very high | 84.8 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.5 | 169.4 | -47.7 | -178.6 | 0 | 0 | 0 | 107.8 | L391 I393 F407 L504 I505 E508 | L391-I405 HydrophobicContact CB-CD1 3.88Å; L391-I405 HydrophobicContact CB-CG2 4.07Å; L391-I405 HydrophobicContact CD1-CG2 3.93Å; I393-I405 HydrophobicContact CD1-CG1 4.29Å; I393-I405 HydrophobicContact CG1-CD1 4.02Å; I393-I405 HydrophobicContact CG1-CG1 3.44Å; I393-I405 VanDerWaalsContact CG1-CG1 3.44Å; I405-F407 HydrophobicContact CB-CE2 3.8Å; I405-F407 HydrophobicContact CB-CZ 4.17Å; I405-F407 HydrophobicContact CG2-CD2 4.28Å; I405-F407 HydrophobicContact CG2-CE1 4.15Å; I405-F407 HydrophobicContact CG2-CE2 3.46Å; I405-F407 VanDerWaalsContact CG2-CE2 3.46Å; I405-F407 HydrophobicContact CG2-CZ 3.38Å; I405-L504 WeakPolarHBondContact O-CA 3.35Å; I405-I505 HydrophobicContact CB-CD1 4.24Å; I405-I505 HydrophobicContact CB-CG1 3.84Å; I405-I505 HydrophobicContact CD1-CD1 4.09Å; I405-I505 HydrophobicContact CD1-CG1 4.39Å; I405-I505 HydrophobicContact CG1-CD1 4.46Å; I405-I505 HydrophobicContact CG1-CG1 4.23Å; I405-I505 PolarHBondContact N-O 2.73Å; I405-I505 PolarHBondContact O-N 2.99Å; I405-E508 HydrophobicContact CD1-CG 4.34Å |
| 406 | Y | 94.6 | Very high | 86.9 | Confident | 52 Ų | 52 | 20.6 Ų | 20.6 | 20% | 0.204 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.7 | -178.1 | -73.8 | -107.4 | 0 | 0 | 0 | 110.8 | H376 G399 V401 G402 G404 E502 L504 | H376-Y406 PolarHBondContact ND1-O 2.87Å; G399-Y406 VanDerWaalsContact C-OH 3.26Å; G399-Y406 WeakPolarHBondContact CA-OH 3.26Å; G399-Y406 PolarHBondContact N-OH 3.43Å; V401-Y406 WeakPolarHBondContact CA-OH 3.37Å; V401-Y406 HydrophobicContact CB-CE1 4.16Å; V401-Y406 HydrophobicContact CG2-CE1 4.31Å; V401-Y406 PolarHBondContact N-OH 2.77Å; G402-Y406 PolarHBondContact N-OH 3.16Å; G402-Y406 VanDerWaalsContact N-OH 3.1Å; G402-Y406 WeakPolarHBondContact O-CE2 3.45Å; G402-Y406 PolarHBondContact O-OH 2.97Å; G404-Y406 WeakPolarHBondContact O-CD2 3.35Å; Y406-E502 WeakPolarHBondContact CE1-OE2 3.44Å; Y406-L504 HydrophobicContact CD1-CD1 4.08Å; Y406-L504 HydrophobicContact CD1-CD2 4.02Å; Y406-L504 HydrophobicContact CD1-CG 4.02Å; Y406-L504 HydrophobicContact CD2-CD2 4.14Å; Y406-L504 HydrophobicContact CE1-CD1 4.05Å; Y406-L504 HydrophobicContact CE1-CD2 3.62Å; Y406-L504 HydrophobicContact CE1-CG 4.06Å; Y406-L504 HydrophobicContact CE2-CD2 3.72Å; Y406-L504 HydrophobicContact CG-CD2 4.27Å; Y406-L504 HydrophobicContact CG-CG 4.29Å; Y406-L504 VanDerWaalsContact CZ-CD2 3.44Å |
| 407 | F | 97.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 157.9 | 172.3 | -58.1 | -83.4 | 0 | 0 | 0 | 110.4 | L374 W375 H376 L391 I405 V432 Y503 I505 C511 | L374-F407 HydrophobicContact CB-CB 3.68Å; L374-F407 HydrophobicContact CB-CD1 4.32Å; L374-F407 HydrophobicContact CB-CG 4.23Å; L374-F407 HydrophobicContact CD1-CB 3.87Å; L374-F407 HydrophobicContact CD1-CG 4.49Å; L374-F407 HydrophobicContact CG-CB 4.43Å; W375-F407 WeakPolarHBondContact O-CA 3.36Å; H376-F407 HydrophobicContact CB-CD1 4.01Å; H376-F407 HydrophobicContact CB-CE1 4.14Å; L391-F407 HydrophobicContact CD1-CE1 3.7Å; L391-F407 HydrophobicContact CD1-CZ 3.8Å; I405-F407 HydrophobicContact CB-CE2 3.8Å; I405-F407 HydrophobicContact CB-CZ 4.17Å; I405-F407 HydrophobicContact CG2-CD2 4.28Å; I405-F407 HydrophobicContact CG2-CE1 4.15Å; I405-F407 HydrophobicContact CG2-CE2 3.46Å; I405-F407 VanDerWaalsContact CG2-CE2 3.46Å; I405-F407 HydrophobicContact CG2-CZ 3.38Å; F407-V432 HydrophobicContact CD1-CG2 3.98Å; F407-V432 HydrophobicContact CD2-CG1 4.28Å; F407-V432 HydrophobicContact CD2-CG2 3.78Å; F407-V432 HydrophobicContact CE1-CG2 3.93Å; F407-V432 HydrophobicContact CE2-CG1 4.21Å; F407-V432 HydrophobicContact CE2-CG2 3.69Å; F407-V432 HydrophobicContact CG-CG2 3.91Å; F407-V432 HydrophobicContact CZ-CG2 3.77Å; F407-Y503 PolarHBondContact N-O 2.83Å; F407-Y503 PolarHBondContact O-N 2.82Å; F407-I505 HydrophobicContact CE2-CD1 3.73Å; F407-I505 HydrophobicContact CE2-CG1 3.89Å; F407-I505 HydrophobicContact CZ-CD1 4.32Å; F407-C511 HydrophobicContact CE2-CB 4.28Å; F407-C511 HydrophobicContact CZ-CB 3.72Å |
| 408 | A | 97.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 143.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W375 K413 S414 | W375-A408 WeakPolarHBondContact CB-O 3.5Å; W375-A408 PolarHBondContact N-O 3.18Å; W375-A408 PolarHBondContact O-N 3.15Å; A408-K413 HydrophobicContact CB-CB 3.86Å; A408-K413 HydrophobicContact CB-CG 3.83Å; A408-S414 WeakPolarHBondContact CB-OG 3.34Å |
| 409 | S | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -75 | -20.1 | 167.1 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | Y334 E464 P465 | Y334-S409 WeakPolarHBondContact CE2-O 3.42Å; Y334-S409 WeakPolarHBondContact OH-CA 3.31Å; Y334-S409 PolarHBondContact OH-O 2.98Å; S409-E464 WeakPolarHBondContact CB-OE1 3.21Å; S409-E464 PolarHBondContact OG-OE1 3.32Å; S409-P465 WeakPolarHBondContact OG-CD 3.34Å |
| 410 | E | 96.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -105.4 | 124 | -179.8 | -66.6 | -179.7 | -105.8 | 0 | 0 | 112.4 | A412 K413 P465 A487 N500 | E410-A412 VanDerWaalsContact C-N 3.26Å; E410-A412 PolarHBondContact O-N 3.17Å; E410-K413 PolarHBondContact O-N 3.46Å; E410-P465 HydrophobicContact CG-CG 3.81Å; E410-A487 WeakPolarHBondContact OE2-CB 3.5Å; E410-N500 WeakPolarHBondContact OE1-CB 3.48Å; E410-N500 PolarHBondContact OE1-ND2 3.24Å; E410-N500 PolarHBondContact OE2-ND2 2.99Å |
| 411 | N | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.1 | -40.8 | 176.9 | 178.6 | 57.1 | 0 | 0 | 0 | 112.1 | T338 T339 W375 K413 S414 L415 M427 | T338-N411 PolarHBondContact O-N 3.23Å; T338-N411 VanDerWaalsContact OG1-CB 3.25Å; T338-N411 WeakPolarHBondContact OG1-CB 3.21Å; T338-N411 PolarHBondContact OG1-N 2.82Å; T338-N411 VanDerWaalsContact OG1-N 3.12Å; T339-N411 PolarHBondContact OG1-ND2 2.88Å; W375-N411 HydrophobicContact CD2-CB 4.31Å; W375-N411 HydrophobicContact CG-CB 4.46Å; W375-N411 HydrophobicContact CZ2-CB 4.39Å; N411-K413 PolarHBondContact O-N 2.93Å; N411-S414 PolarHBondContact O-N 3.49Å; N411-S414 VanDerWaalsContact O-N 3.16Å; N411-L415 WeakPolarHBondContact ND2-CD1 3.47Å; N411-L415 WeakPolarHBondContact O-CG 3.15Å; N411-L415 PolarHBondContact O-N 3.47Å; N411-M427 WeakPolarHBondContact OD1-CE 3.4Å; N411-M427 PolarHBondContact OD1-SD 3.48Å; N411-M427 VanDerWaalsContact OD1-SD 3.37Å |
| 412 | A | 92.7 | Very high | 93 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.4 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T338 C340 E410 | T338-A412 PolarHBondContact O-N 3.15Å; C340-A412 HydrophobicContact CB-CB 3.78Å; E410-A412 VanDerWaalsContact C-N 3.26Å; E410-A412 PolarHBondContact O-N 3.17Å |
| 413 | K | 93.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -49.5 | 179.2 | 177.8 | 66.9 | 173.5 | -171.6 | 0 | 110.6 | A408 E410 N411 L415 G416 Y417 N500 E502 | A408-K413 HydrophobicContact CB-CB 3.86Å; A408-K413 HydrophobicContact CB-CG 3.83Å; E410-K413 PolarHBondContact O-N 3.46Å; N411-K413 PolarHBondContact O-N 2.93Å; K413-L415 VanDerWaalsContact C-N 3.33Å; K413-L415 PolarHBondContact O-N 2.8Å; K413-G416 PolarHBondContact O-N 3.46Å; K413-Y417 WeakPolarHBondContact O-CD2 3.32Å; K413-N500 HydrophobicContact CB-CB 4.39Å; K413-N500 HydrophobicContact CD-CB 4.48Å; K413-E502 WeakPolarHBondContact CE-OE1 3.29Å; K413-E502 IonicContact NZ-OE1 3.2Å; K413-E502 PolarHBondContact NZ-OE1 2.96Å |
| 414 | S | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -31.3 | 179.4 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | W375 G377 A408 N411 G416 Y417 M427 | W375-S414 WeakPolarHBondContact CB-OG 3.43Å; W375-S414 PolarHBondContact O-OG 3.28Å; W375-S414 VanDerWaalsContact O-OG 3.06Å; G377-S414 WeakPolarHBondContact CA-O 3.39Å; A408-S414 WeakPolarHBondContact CB-OG 3.34Å; N411-S414 PolarHBondContact O-N 3.49Å; N411-S414 VanDerWaalsContact O-N 3.16Å; S414-G416 PolarHBondContact O-N 2.64Å; S414-Y417 PolarHBondContact O-N 2.84Å; S414-M427 VanDerWaalsContact CB-CE 3.43Å |
| 415 | L | 93.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -31.4 | 172.2 | -79.1 | 172.9 | 0 | 0 | 0 | 113.2 | P345 N411 K413 Y417 V418 M427 I519 M521 | P345-L415 HydrophobicContact CB-CD2 4.16Å; P345-L415 HydrophobicContact CG-CD1 3.76Å; P345-L415 HydrophobicContact CG-CD2 3.91Å; P345-L415 HydrophobicContact CG-CG 4.42Å; N411-L415 WeakPolarHBondContact ND2-CD1 3.47Å; N411-L415 WeakPolarHBondContact O-CG 3.15Å; N411-L415 PolarHBondContact O-N 3.47Å; K413-L415 VanDerWaalsContact C-N 3.33Å; K413-L415 PolarHBondContact O-N 2.8Å; L415-Y417 PolarHBondContact O-N 2.9Å; L415-Y417 VanDerWaalsContact O-N 3.14Å; L415-V418 HydrophobicContact CD2-CG2 4.39Å; L415-V418 WeakPolarHBondContact O-CB 3.48Å; L415-V418 PolarHBondContact O-N 2.84Å; L415-M427 HydrophobicContact CD2-CE 4.45Å; L415-M427 HydrophobicContact CD2-SD 3.51Å; L415-M427 VanDerWaalsContact CD2-SD 3.51Å; L415-M427 HydrophobicContact CG-CE 4.39Å; L415-M427 HydrophobicContact CG-SD 4.04Å; L415-I519 HydrophobicContact CD2-CD1 3.71Å; L415-M521 HydrophobicContact CD2-CE 4.16Å; L415-M521 HydrophobicContact CD2-SD 3.98Å |
| 416 | G | 90.7 | Very high | 93.7 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K413 S414 R419 | K413-G416 PolarHBondContact O-N 3.46Å; S414-G416 PolarHBondContact O-N 2.64Å; G416-R419 PolarHBondContact O-NH1 3.05Å |
| 417 | Y | 90.8 | Very high | 93.9 | Very high | 114 Ų | 114 | 34 Ų | 34 | 45% | 0.447 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -10 | 177.8 | -63.1 | -89.9 | 0 | 0 | 0 | 113.1 | G377 T378 K413 S414 L415 R419 | G377-Y417 WeakPolarHBondContact O-CB 3.32Å; T378-Y417 CarbonylContact C-O 3.12Å; K413-Y417 WeakPolarHBondContact O-CD2 3.32Å; S414-Y417 PolarHBondContact O-N 2.84Å; L415-Y417 PolarHBondContact O-N 2.9Å; L415-Y417 VanDerWaalsContact O-N 3.14Å; Y417-R419 PolarHBondContact O-N 2.85Å |
| 418 | V | 93.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | trans | -68.7 | 127.2 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 109 | T378 L415 M427 M521 | T378-V418 WeakPolarHBondContact O-CA 3.06Å; L415-V418 HydrophobicContact CD2-CG2 4.39Å; L415-V418 WeakPolarHBondContact O-CB 3.48Å; L415-V418 PolarHBondContact O-N 2.84Å; V418-M427 HydrophobicContact CG2-CG 3.55Å; V418-M427 HydrophobicContact CG2-SD 4.01Å; V418-M521 HydrophobicContact CB-CE 4.26Å; V418-M521 HydrophobicContact CG1-CE 4.2Å; V418-M521 HydrophobicContact CG1-CG 4.5Å; V418-M521 HydrophobicContact CG1-SD 4.19Å | ||
| 419 | R | 93.2 | Very high | 94 | Very high | 129 Ų | 129 | 33.7 Ų | 33.7 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -116.4 | 102 | 168.2 | -59.1 | -67.7 | 176.4 | -94.9 | -3.3 | 107.2 | T378 N379 I380 G416 Y417 | T378-R419 PolarHBondContact O-N 2.77Å; N379-R419 HydrophobicContact CB-CB 4.04Å; N379-R419 HydrophobicContact CB-CG 4.27Å; I380-R419 WeakPolarHBondContact CG2-O 3.38Å; I380-R419 PolarHBondContact N-O 2.91Å; I380-R419 VanDerWaalsContact N-O 3.12Å; G416-R419 PolarHBondContact O-NH1 3.05Å; Y417-R419 PolarHBondContact O-N 2.85Å |
| 420 | P | 92.4 | Very high | 94 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | trans | -79.1 | 159.7 | -177.2 | 32.8 | -34.8 | 0 | 0 | 0 | 111.8 | T424 M521 | P420-T424 CarbonylContact C-O 3.19Å; P420-T424 WeakPolarHBondContact CA-O 3.16Å; P420-T424 WeakPolarHBondContact CB-O 2.99Å; P420-M521 HydrophobicContact CB-CB 4.41Å; P420-M521 HydrophobicContact CB-CG 3.91Å; P420-M521 HydrophobicContact CG-CB 4.28Å; P420-M521 HydrophobicContact CG-CG 4.04Å | ||
| 421 | S | 91.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -116 | 131.2 | 162.6 | 172.4 | 0 | 0 | 0 | 0 | 108.2 | E195 N423 T424 | E195-S421 WeakPolarHBondContact OE2-CB 3.25Å; E195-S421 PolarHBondContact OE2-OG 2.96Å; S421-N423 VanDerWaalsContact C-N 3.28Å; S421-N423 PolarHBondContact O-N 3.37Å; S421-T424 PolarHBondContact N-O 2.94Å; S421-T424 WeakPolarHBondContact O-CB 3.39Å; S421-T424 PolarHBondContact O-N 2.88Å |
| 422 | N | 88.3 | Confident | 94.3 | Very high | 121 Ų | 121 | 33.1 Ų | 33.1 | 65% | 0.647 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 49.1 | -174.6 | -65.8 | -59.8 | 0 | 0 | 0 | 113.2 | E195 T424 | E195-N422 PolarHBondContact OE1-ND2 2.68Å; N422-T424 PolarHBondContact O-N 3.4Å |
| 423 | N | 90.8 | Very high | 94.6 | Very high | 107 Ų | 107 | 31.9 Ų | 31.9 | 57% | 0.572 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 5 | -175.7 | -68.2 | -12.3 | 0 | 0 | 0 | 115.8 | S421 M521 | S421-N423 VanDerWaalsContact C-N 3.28Å; S421-N423 PolarHBondContact O-N 3.37Å; N423-M521 WeakPolarHBondContact CB-O 3.23Å; N423-M521 PolarHBondContact O-N 3.16Å |
| 424 | T | 94.5 | Very high | 94.8 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 17% | 0.172 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.9 | 175.8 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | L186 P420 S421 N422 E518 I519 | L186-T424 HydrophobicContact CD2-CG2 3.62Å; P420-T424 CarbonylContact C-O 3.19Å; P420-T424 WeakPolarHBondContact CA-O 3.16Å; P420-T424 WeakPolarHBondContact CB-O 2.99Å; S421-T424 PolarHBondContact N-O 2.94Å; S421-T424 WeakPolarHBondContact O-CB 3.39Å; S421-T424 PolarHBondContact O-N 2.88Å; N422-T424 PolarHBondContact O-N 3.4Å; T424-E518 HydrophobicContact CG2-CG 3.72Å; T424-I519 WeakPolarHBondContact CA-O 3.44Å |
| 425 | G | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 165.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I519 | G425-I519 PolarHBondContact N-O 3.44Å; G425-I519 WeakPolarHBondContact O-CG1 3.27Å; G425-I519 PolarHBondContact O-N 3.01Å |
| 426 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.8 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 110 | L183 I380 V383 F428 L516 L517 | L183-V426 HydrophobicContact CD1-CG2 4.45Å; I380-V426 HydrophobicContact CD1-CG2 4.35Å; I380-V426 HydrophobicContact CG1-CG2 4.35Å; V383-V426 HydrophobicContact CG1-CG1 4.19Å; V383-V426 HydrophobicContact CG2-CB 3.74Å; V383-V426 HydrophobicContact CG2-CG1 3.78Å; V383-V426 HydrophobicContact CG2-CG2 4.12Å; V426-F428 HydrophobicContact CG1-CE2 4.25Å; V426-F428 HydrophobicContact CG1-CZ 4.38Å; V426-L516 HydrophobicContact CG1-CD1 4.05Å; V426-L516 HydrophobicContact CG1-CD2 4.03Å; V426-L516 HydrophobicContact CG1-CG 3.76Å; V426-L517 WeakPolarHBondContact CA-O 3.31Å |
| 427 | M | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.1 | 170.9 | -63.9 | -175 | 72.1 | 0 | 0 | 110.2 | W375 N411 S414 L415 V418 L517 I519 | W375-M427 HydrophobicContact CB-CE 4.4Å; W375-M427 HydrophobicContact CD2-CE 4.44Å; W375-M427 HydrophobicContact CE3-CE 4.02Å; N411-M427 WeakPolarHBondContact OD1-CE 3.4Å; N411-M427 PolarHBondContact OD1-SD 3.48Å; N411-M427 VanDerWaalsContact OD1-SD 3.37Å; S414-M427 VanDerWaalsContact CB-CE 3.43Å; L415-M427 HydrophobicContact CD2-CE 4.45Å; L415-M427 HydrophobicContact CD2-SD 3.51Å; L415-M427 VanDerWaalsContact CD2-SD 3.51Å; L415-M427 HydrophobicContact CG-CE 4.39Å; L415-M427 HydrophobicContact CG-SD 4.04Å; V418-M427 HydrophobicContact CG2-CG 3.55Å; V418-M427 HydrophobicContact CG2-SD 4.01Å; M427-L517 PolarHBondContact N-O 3.28Å; M427-L517 PolarHBondContact O-N 3.49Å; M427-I519 HydrophobicContact CG-CD1 3.83Å; M427-I519 HydrophobicContact SD-CD1 3.71Å |
| 428 | F | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.2 | 174.3 | -66.4 | -83 | 0 | 0 | 0 | 110.8 | H376 T378 V383 I386 L387 V426 L513 F515 L516 | H376-F428 HydrophobicContact CB-CB 4.34Å; H376-F428 PolarHBondContact N-O 3.38Å; H376-F428 PolarHBondContact O-N 3.47Å; T378-F428 HydrophobicContact CG2-CD2 4.22Å; T378-F428 HydrophobicContact CG2-CE2 3.94Å; V383-F428 HydrophobicContact CG1-CZ 4.12Å; V383-F428 HydrophobicContact CG2-CE2 4.48Å; I386-F428 HydrophobicContact CB-CE2 4.29Å; I386-F428 HydrophobicContact CB-CZ 4.19Å; I386-F428 HydrophobicContact CD1-CE2 3.97Å; I386-F428 HydrophobicContact CG2-CD2 4.43Å; I386-F428 HydrophobicContact CG2-CE1 4.2Å; I386-F428 HydrophobicContact CG2-CE2 3.8Å; I386-F428 HydrophobicContact CG2-CZ 3.65Å; L387-F428 HydrophobicContact CD2-CE1 4Å; L387-F428 HydrophobicContact CD2-CZ 4.4Å; V426-F428 HydrophobicContact CG1-CE2 4.25Å; V426-F428 HydrophobicContact CG1-CZ 4.38Å; F428-L513 HydrophobicContact CB-CD2 4.14Å; F428-L513 HydrophobicContact CD1-CD1 4.26Å; F428-L513 HydrophobicContact CD1-CD2 4.03Å; F428-L513 HydrophobicContact CE1-CD1 4.18Å; F428-L513 HydrophobicContact CG-CD2 4.18Å; F428-F515 WeakPolarHBondContact CA-O 3.07Å; F428-L516 HydrophobicContact CD1-CB 4.2Å; F428-L516 HydrophobicContact CD1-CG 4.43Å; F428-L516 HydrophobicContact CE1-CB 4.09Å; F428-L516 HydrophobicContact CE1-CD1 3.69Å; F428-L516 HydrophobicContact CE1-CG 4.02Å; F428-L516 HydrophobicContact CZ-CD1 4.01Å |
| 429 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.3 | 159.7 | -77.9 | 171.8 | 0 | 0 | 0 | 108.2 | I331 Y334 L373 L374 W375 R514 F515 L517 | I331-L429 HydrophobicContact CB-CD1 4.42Å; I331-L429 HydrophobicContact CD1-CD1 4.28Å; I331-L429 HydrophobicContact CG1-CD1 3.88Å; I331-L429 HydrophobicContact CG2-CD1 3.89Å; Y334-L429 HydrophobicContact CD1-CD2 4.08Å; Y334-L429 HydrophobicContact CE1-CD2 3.82Å; L373-L429 HydrophobicContact CD1-CB 4.15Å; L373-L429 HydrophobicContact CD2-CB 4.25Å; L373-L429 HydrophobicContact CD2-CD1 3.97Å; L373-L429 HydrophobicContact CD2-CD2 4.42Å; L373-L429 HydrophobicContact CD2-CG 4.46Å; L373-L429 HydrophobicContact CG-CB 4.03Å; L373-L429 HydrophobicContact CG-CD2 4.2Å; L373-L429 HydrophobicContact CG-CG 4.5Å; L374-L429 WeakPolarHBondContact O-CA 2.81Å; W375-L429 HydrophobicContact CD2-CD2 3.44Å; W375-L429 VanDerWaalsContact CD2-CD2 3.44Å; W375-L429 HydrophobicContact CD2-CG 4.26Å; W375-L429 HydrophobicContact CE3-CD1 4.43Å; W375-L429 HydrophobicContact CE3-CD2 3.37Å; W375-L429 HydrophobicContact CE3-CG 3.67Å; W375-L429 HydrophobicContact CG-CD2 4.05Å; W375-L429 HydrophobicContact CH2-CD1 3.74Å; W375-L429 HydrophobicContact CH2-CD2 3.89Å; W375-L429 HydrophobicContact CH2-CG 3.91Å; W375-L429 HydrophobicContact CZ2-CD1 4.33Å; W375-L429 HydrophobicContact CZ2-CD2 3.95Å; W375-L429 HydrophobicContact CZ2-CG 4.46Å; W375-L429 HydrophobicContact CZ3-CD1 3.81Å; W375-L429 HydrophobicContact CZ3-CD2 3.61Å; W375-L429 HydrophobicContact CZ3-CG 3.48Å; W375-L429 VanDerWaalsContact CZ3-CG 3.48Å; L429-R514 PolarHBondContact O-N 3.11Å; L429-F515 HydrophobicContact CB-CB 4.15Å; L429-F515 HydrophobicContact CB-CD2 4.05Å; L429-F515 HydrophobicContact CD1-CD2 4.4Å; L429-F515 PolarHBondContact N-O 3Å; L429-F515 PolarHBondContact O-N 2.95Å; L429-L517 HydrophobicContact CB-CD1 4.47Å; L429-L517 HydrophobicContact CD1-CD1 4.01Å; L429-L517 HydrophobicContact CG-CD1 4Å |
| 430 | S | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.7 | -177.2 | -51.7 | 0 | 0 | 0 | 0 | 110 | L373 L374 V432 R512 L513 | L373-S430 WeakPolarHBondContact CA-O 3.42Å; L374-S430 PolarHBondContact N-O 2.97Å; L374-S430 PolarHBondContact O-N 2.91Å; S430-V432 PolarHBondContact O-N 2.99Å; S430-R512 CarbonylContact C-O 3.51Å; S430-R512 VanDerWaalsContact CA-O 3.29Å; S430-R512 WeakPolarHBondContact CA-O 3.42Å; S430-L513 WeakPolarHBondContact OG-CD2 3.42Å |
| 431 | E | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.5 | 163.9 | -177.3 | -170.7 | 161.8 | 0 | 0 | 107.9 | F362 R371 L475 V480 C511 R512 R514 | F362-E431 VanDerWaalsContact CE1-CD 3.46Å; F362-E431 HydrophobicContact CE1-CG 4.26Å; F362-E431 VanDerWaalsContact CE1-OE1 3.24Å; F362-E431 WeakPolarHBondContact CE1-OE1 3.27Å; F362-E431 HydrophobicContact CZ-CB 4.35Å; F362-E431 HydrophobicContact CZ-CG 3.81Å; F362-E431 WeakPolarHBondContact CZ-OE1 3.43Å; R371-E431 WeakPolarHBondContact CD-OE1 3.32Å; R371-E431 IonicContact CZ-OE1 3.81Å; R371-E431 IonicContact NH1-OE1 2.81Å; R371-E431 PolarHBondContact NH1-OE1 3.38Å; E431-L475 HydrophobicContact CB-CD1 4.48Å; E431-V480 HydrophobicContact CG-CG1 4.17Å; E431-V480 HydrophobicContact CG-CG2 3.9Å; E431-C511 VanDerWaalsContact O-CA 3.32Å; E431-C511 WeakPolarHBondContact O-CA 3.47Å; E431-R512 PolarHBondContact N-O 3.01Å; E431-R512 PolarHBondContact O-N 3.48Å; E431-R514 HydrophobicContact CB-CG 3.78Å; E431-R514 IonicContact OE2-CZ 3.72Å; E431-R514 VanDerWaalsContact OE2-CZ 3.27Å; E431-R514 IonicContact OE2-NE 2.82Å; E431-R514 PolarHBondContact OE2-NE 3.26Å; E431-R514 IonicContact OE2-NH2 3.62Å; E431-R514 PolarHBondContact OE2-NH2 2.8Å |
| 432 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.6 | -177.9 | -173 | 0 | 0 | 0 | 0 | 108.9 | R371 R372 L374 F407 S430 L434 I505 Q510 C511 | R371-V432 WeakPolarHBondContact CA-O 3.49Å; R372-V432 PolarHBondContact N-O 2.9Å; R372-V432 PolarHBondContact O-N 3.17Å; L374-V432 HydrophobicContact CB-CG2 4.33Å; L374-V432 HydrophobicContact CD1-CB 4.12Å; L374-V432 HydrophobicContact CD1-CG2 4.08Å; L374-V432 HydrophobicContact CG-CG2 4.49Å; F407-V432 HydrophobicContact CD1-CG2 3.98Å; F407-V432 HydrophobicContact CD2-CG1 4.28Å; F407-V432 HydrophobicContact CD2-CG2 3.78Å; F407-V432 HydrophobicContact CE1-CG2 3.93Å; F407-V432 HydrophobicContact CE2-CG1 4.21Å; F407-V432 HydrophobicContact CE2-CG2 3.69Å; F407-V432 HydrophobicContact CG-CG2 3.91Å; F407-V432 HydrophobicContact CZ-CG2 3.77Å; S430-V432 PolarHBondContact O-N 2.99Å; V432-L434 HydrophobicContact CB-CD2 4.48Å; V432-L434 HydrophobicContact CG1-CD2 3.64Å; V432-L434 HydrophobicContact CG1-CG 4.12Å; V432-L434 PolarHBondContact O-N 2.89Å; V432-I505 HydrophobicContact CG1-CD1 4.3Å; V432-I505 HydrophobicContact CG1-CG2 3.54Å; V432-Q510 WeakPolarHBondContact CA-O 3.26Å; V432-C511 HydrophobicContact CG2-CB 4.43Å |
| 433 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 91.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F362 N365 L368 R371 Q510 | F362-A433 HydrophobicContact CE2-CB 4.23Å; F362-A433 HydrophobicContact CZ-CB 4.31Å; N365-A433 HydrophobicContact CB-CB 4.15Å; L368-A433 HydrophobicContact CB-CB 4.13Å; L368-A433 HydrophobicContact CD1-CB 4.19Å; R371-A433 HydrophobicContact CG-CB 4.43Å; A433-Q510 PolarHBondContact N-O 2.78Å; A433-Q510 PolarHBondContact O-NE2 2.85Å; A433-Q510 VanDerWaalsContact O-NE2 3.15Å |
| 434 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -79 | -29.2 | -173.8 | -64.5 | 170.3 | 0 | 0 | 0 | 112.7 | N370 R372 L374 V432 N436 E437 D455 S456 Y503 I505 | N370-L434 WeakPolarHBondContact O-CB 3.43Å; N370-L434 PolarHBondContact O-N 2.76Å; R372-L434 HydrophobicContact CB-CD1 4.14Å; R372-L434 HydrophobicContact CG-CD1 3.78Å; L374-L434 HydrophobicContact CD1-CD1 4.49Å; V432-L434 HydrophobicContact CB-CD2 4.48Å; V432-L434 HydrophobicContact CG1-CD2 3.64Å; V432-L434 HydrophobicContact CG1-CG 4.12Å; V432-L434 PolarHBondContact O-N 2.89Å; L434-N436 PolarHBondContact O-N 2.87Å; L434-E437 HydrophobicContact CB-CG 4.24Å; L434-E437 WeakPolarHBondContact CD1-OE1 3.41Å; L434-D455 WeakPolarHBondContact O-CB 3.41Å; L434-S456 VanDerWaalsContact O-CB 3.28Å; L434-S456 WeakPolarHBondContact O-CB 3.37Å; L434-S456 PolarHBondContact O-OG 3.01Å; L434-Y503 HydrophobicContact CD1-CD1 3.56Å; L434-Y503 HydrophobicContact CD1-CE1 3.91Å; L434-Y503 HydrophobicContact CD2-CD1 4.07Å; L434-Y503 HydrophobicContact CG-CD1 4.49Å; L434-I505 HydrophobicContact CD2-CG2 4.4Å | ||
| 435 | G | 97.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | trans | 54.3 | -133.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E369 N370 E437 | E369-G435 WeakPolarHBondContact O-CA 3.17Å; E369-G435 PolarHBondContact O-N 2.98Å; E369-G435 VanDerWaalsContact O-N 3.15Å; N370-G435 PolarHBondContact ND2-O 2.97Å; N370-G435 VanDerWaalsContact ND2-O 3.14Å; G435-E437 PolarHBondContact O-N 2.86Å | ||
| 436 | N | 97.4 | Very high | 96 | Very high | 102 Ų | 102 | 40.4 Ų | 40.4 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -77.4 | 117.2 | 175.1 | -69.1 | -32.2 | 0 | 0 | 0 | 111 | L434 Y454 D455 S456 | L434-N436 PolarHBondContact O-N 2.87Å; N436-Y454 HydrophobicContact CB-CD1 4.23Å; N436-Y454 WeakPolarHBondContact O-CA 3.46Å; N436-Y454 WeakPolarHBondContact O-CB 3.27Å; N436-D455 PolarHBondContact N-OD2 3.03Å; N436-D455 PolarHBondContact O-N 2.82Å; N436-S456 PolarHBondContact O-N 3.18Å |
| 437 | E | 97.9 | Very high | 95.7 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123.7 | -175.2 | -63.3 | 176.8 | 176.2 | 0 | 0 | 112.3 | N370 R372 L434 G435 Y454 V458 R460 | N370-E437 VanDerWaalsContact ND2-CD 3.29Å; N370-E437 WeakPolarHBondContact ND2-CG 3.42Å; N370-E437 PolarHBondContact ND2-OE1 3.16Å; R372-E437 IonicContact NE-OE1 2.88Å; L434-E437 HydrophobicContact CB-CG 4.24Å; L434-E437 WeakPolarHBondContact CD1-OE1 3.41Å; G435-E437 PolarHBondContact O-N 2.86Å; E437-Y454 VanDerWaalsContact O-CD1 3.31Å; E437-Y454 WeakPolarHBondContact O-CD1 3.41Å; E437-Y454 VanDerWaalsContact O-CE1 3.28Å; E437-Y454 WeakPolarHBondContact O-CE1 3.42Å; E437-V458 HydrophobicContact CB-CG2 3.95Å; E437-V458 HydrophobicContact CG-CG2 3.85Å; E437-R460 IonicContact OE2-CZ 2.75Å; E437-R460 IonicContact OE2-NH1 2.73Å; E437-R460 IonicContact OE2-NH2 3.52Å; E437-R460 PolarHBondContact OE2-NH2 3.22Å |
| 438 | F | 97.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 48 Ų | 48 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117 | 167.6 | -174.4 | -106.4 | 0 | 0 | 0 | 110.1 | I440 P451 Y454 S456 V457 V458 | F438-I440 HydrophobicContact CD1-CG2 3.66Å; F438-I440 HydrophobicContact CE1-CG2 3.44Å; F438-I440 VanDerWaalsContact CE1-CG2 3.44Å; F438-P451 HydrophobicContact CB-CG 4.32Å; F438-P451 HydrophobicContact CD1-CG 3.57Å; F438-P451 HydrophobicContact CD2-CB 4.2Å; F438-P451 HydrophobicContact CD2-CG 3.98Å; F438-P451 HydrophobicContact CE1-CG 3.73Å; F438-P451 HydrophobicContact CE2-CB 4.33Å; F438-P451 HydrophobicContact CE2-CG 4.14Å; F438-P451 HydrophobicContact CG-CB 4.33Å; F438-P451 HydrophobicContact CG-CG 3.68Å; F438-P451 HydrophobicContact CZ-CG 4.01Å; F438-Y454 HydrophobicContact CB-CD1 3.79Å; F438-Y454 HydrophobicContact CB-CD2 4.06Å; F438-Y454 HydrophobicContact CB-CE1 4.32Å; F438-Y454 HydrophobicContact CB-CG 3.62Å; F438-Y454 HydrophobicContact CD2-CD1 4.37Å; F438-Y454 AromaticContact CD2-CD2 3.68Å; F438-Y454 HydrophobicContact CD2-CD2 3.68Å; F438-Y454 HydrophobicContact CD2-CE1 4.23Å; F438-Y454 AromaticContact CD2-CE2 3.53Å; F438-Y454 HydrophobicContact CD2-CE2 3.53Å; F438-Y454 HydrophobicContact CD2-CG 4.1Å; F438-Y454 AromaticContact CD2-CZ 3.81Å; F438-Y454 HydrophobicContact CE2-CE2 4.2Å; F438-Y454 HydrophobicContact CG-CD2 4.27Å; F438-Y454 HydrophobicContact CG-CG 4.33Å; F438-Y454 VanDerWaalsContact N-CD1 3.35Å; F438-S456 WeakPolarHBondContact CB-O 3.3Å; F438-S456 PolarHBondContact N-O 3.21Å; F438-V457 HydrophobicContact CB-CG2 4.17Å; F438-V457 HydrophobicContact CD1-CG1 4.44Å; F438-V457 HydrophobicContact CD1-CG2 4.2Å; F438-V457 CarbonylContact O-C 3.56Å; F438-V457 WeakPolarHBondContact O-CA 3.41Å; F438-V458 PolarHBondContact O-N 2.81Å |
| 439 | T | 97.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.7 | -177.1 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | V458 R460 Y493 | T439-V458 WeakPolarHBondContact CA-O 3.44Å; T439-R460 HydrophobicContact CG2-CB 4.43Å; T439-R460 HydrophobicContact CG2-CG 3.53Å; T439-Y493 HydrophobicContact CG2-CE1 3.96Å |
| 440 | I | 97.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.2 | 168.8 | 70.1 | 174.3 | 0 | 0 | 0 | 111.2 | V401 F438 L447 V457 V458 A459 R460 | V401-I440 HydrophobicContact CB-CD1 4.28Å; V401-I440 HydrophobicContact CG1-CD1 3.39Å; V401-I440 HydrophobicContact CG1-CG1 4.5Å; V401-I440 HydrophobicContact CG2-CD1 4.08Å; F438-I440 HydrophobicContact CD1-CG2 3.66Å; F438-I440 HydrophobicContact CE1-CG2 3.44Å; F438-I440 VanDerWaalsContact CE1-CG2 3.44Å; I440-L447 HydrophobicContact CD1-CD1 4.4Å; I440-V457 HydrophobicContact CD1-CG1 3.96Å; I440-V457 HydrophobicContact CG1-CG1 4.07Å; I440-V457 HydrophobicContact CG2-CG1 4.17Å; I440-V458 PolarHBondContact N-O 2.89Å; I440-A459 HydrophobicContact CD1-CB 4.08Å; I440-A459 HydrophobicContact CG1-CB 3.74Å; I440-A459 WeakPolarHBondContact O-CA 3.48Å; I440-R460 PolarHBondContact O-N 2.73Å |
| 441 | T | 97 | Very high | 94.8 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -129.2 | -0.6 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | Y493 S496 S497 | T441-Y493 HydrophobicContact CG2-CD1 3.84Å; T441-S496 WeakPolarHBondContact O-CA 3.24Å; T441-S496 PolarHBondContact O-OG 3.43Å; T441-S497 PolarHBondContact O-N 3Å; T441-S497 PolarHBondContact O-OG 3.47Å |
| 442 | R | 95.8 | Very high | 94.6 | Very high | 194 Ų | 194 | 63 Ų | 63 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -129.9 | 147.4 | 176.1 | -66.9 | -173.7 | 178.3 | -178.7 | -0.5 | 109.3 | D444 S497 | R442-D444 PolarHBondContact O-N 2.99Å; R442-S497 WeakPolarHBondContact CA-OG 3.49Å |
| 443 | D | 92 | Very high | 94.5 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | trans | -51.6 | 132.3 | 174.4 | -62.1 | 49.5 | 0 | 0 | 0 | 111 | R400 S497 | R400-D443 WeakPolarHBondContact CB-OD2 3.45Å; R400-D443 VanDerWaalsContact CG-OD2 3.3Å; R400-D443 WeakPolarHBondContact CG-OD2 3.37Å; R400-D443 IonicContact CZ-OD1 3.48Å; R400-D443 IonicContact CZ-OD2 2.75Å; R400-D443 IonicContact NE-OD1 3.43Å; R400-D443 PolarHBondContact NE-OD1 3.15Å; R400-D443 IonicContact NE-OD2 3.33Å; R400-D443 PolarHBondContact NE-OD2 3.08Å; R400-D443 IonicContact NH2-OD1 2.78Å; R400-D443 PolarHBondContact NH2-OD1 2.79Å; R400-D443 IonicContact NH2-OD2 3.4Å; R400-D443 CarbonylContact O-C 3.57Å; R400-D443 VanDerWaalsContact O-CA 3.27Å; R400-D443 WeakPolarHBondContact O-CA 3.5Å; D443-S497 PolarHBondContact OD1-OG 3.07Å; D443-S497 VanDerWaalsContact OD1-OG 3.07Å | ||
| 444 | D | 91.2 | Very high | 94.4 | Very high | 56 Ų | 56 | 71 Ų | 71 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | trans | -137 | 85.9 | 168.4 | -172.9 | -10.7 | 0 | 0 | 0 | 108.2 | R400 V401 G402 R442 T446 L447 | R400-D444 CarbonylContact O-C 3.57Å; R400-D444 PolarHBondContact O-N 2.8Å; V401-D444 CarbonylContact C-O 3.58Å; V401-D444 VanDerWaalsContact CA-O 3.31Å; V401-D444 WeakPolarHBondContact CA-O 3.37Å; G402-D444 PolarHBondContact N-O 2.83Å; R442-D444 PolarHBondContact O-N 2.99Å; D444-T446 PolarHBondContact O-N 2.82Å; D444-T446 WeakPolarHBondContact OD1-CB 3.48Å; D444-T446 PolarHBondContact OD1-N 3.13Å; D444-T446 PolarHBondContact OD1-OG1 3.09Å; D444-L447 HydrophobicContact CB-CD1 3.89Å; D444-L447 HydrophobicContact CB-CG 4.07Å | ||
| 445 | C | 87 | Confident | 94.4 | Very high | 77 Ų | 77 | 73.1 Ų | 73.1 | 52% | 0.52 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -2.1 | 179 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | G399 G402 | G399-C445 WeakPolarHBondContact O-CB 3.11Å; G402-C445 WeakPolarHBondContact CA-O 3.5Å |
| 446 | T | 87.1 | Confident | 94.4 | Very high | 104 Ų | 104 | 72.7 Ų | 72.7 | 64% | 0.638 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -10.9 | -177.6 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | D444 K448 | D444-T446 PolarHBondContact O-N 2.82Å; D444-T446 WeakPolarHBondContact OD1-CB 3.48Å; D444-T446 PolarHBondContact OD1-N 3.13Å; D444-T446 PolarHBondContact OD1-OG1 3.09Å; T446-K448 PolarHBondContact O-N 2.71Å |
| 447 | L | 90.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 67.8 Ų | 67.8 | 10% | 0.099 | 37% | 0.37 | C | S | . | . | trans | -64.3 | 126 | -177.6 | -68.5 | 168.1 | 0 | 0 | 0 | 111.6 | V401 G402 S403 I440 D444 V457 Y506 | V401-L447 HydrophobicContact CG1-CD1 3.76Å; G402-L447 CarbonylContact C-O 3.57Å; G402-L447 VanDerWaalsContact CA-O 3.23Å; G402-L447 WeakPolarHBondContact CA-O 3.13Å; S403-L447 PolarHBondContact N-O 3.2Å; I440-L447 HydrophobicContact CD1-CD1 4.4Å; D444-L447 HydrophobicContact CB-CD1 3.89Å; D444-L447 HydrophobicContact CB-CG 4.07Å; L447-V457 HydrophobicContact CD1-CG1 4.17Å; L447-V457 HydrophobicContact CD1-CG2 4.3Å; L447-Y506 HydrophobicContact CB-CE1 4.02Å; L447-Y506 WeakPolarHBondContact CB-OH 3.31Å | ||
| 448 | K | 90.4 | Very high | 94.5 | Very high | 141 Ų | 141 | 66 Ų | 66 | 61% | 0.613 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -122.3 | -3.5 | 172.6 | -60.8 | -171.1 | 178 | -163.8 | 0 | 112.9 | T446 | T446-K448 PolarHBondContact O-N 2.71Š|
| 449 | K | 93.3 | Very high | 94.4 | Very high | 159 Ų | 159 | 63.1 Ų | 63.1 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -158 | 156.2 | 178.2 | 61.3 | -179.7 | -178.5 | -177.7 | 0 | 108.8 | ||
| 450 | A | 93.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 143.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y454 Y506 | A450-Y454 VanDerWaalsContact CB-O 3.31Å; A450-Y454 WeakPolarHBondContact CB-O 3.24Å; A450-Y506 HydrophobicContact CB-CD2 4.25Å; A450-Y506 VanDerWaalsContact N-CD2 3.34Å |
| 451 | P | 94.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 60.7 Ų | 60.7 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 157.8 | 173.7 | -28.7 | 38.9 | 0 | 0 | 0 | 112.9 | F438 G453 Y454 | F438-P451 HydrophobicContact CB-CG 4.32Å; F438-P451 HydrophobicContact CD1-CG 3.57Å; F438-P451 HydrophobicContact CD2-CB 4.2Å; F438-P451 HydrophobicContact CD2-CG 3.98Å; F438-P451 HydrophobicContact CE1-CG 3.73Å; F438-P451 HydrophobicContact CE2-CB 4.33Å; F438-P451 HydrophobicContact CE2-CG 4.14Å; F438-P451 HydrophobicContact CG-CB 4.33Å; F438-P451 HydrophobicContact CG-CG 3.68Å; F438-P451 HydrophobicContact CZ-CG 4.01Å; P451-G453 PolarHBondContact O-N 3.06Å; P451-Y454 HydrophobicContact CB-CD2 4.2Å; P451-Y454 WeakPolarHBondContact O-CB 3.33Å; P451-Y454 PolarHBondContact O-N 3.44Å |
| 452 | A | 95.4 | Very high | 94.4 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 86% | 0.86 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 128.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 453 | G | 94.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 66% | 0.66 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P451 | P451-G453 PolarHBondContact O-N 3.06Š|
| 454 | Y | 97.2 | Very high | 94.5 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | trans | -120.9 | 152.6 | 179.5 | -61.2 | -86.9 | 0 | 0 | 0 | 111.4 | N436 E437 F438 A450 P451 | N436-Y454 HydrophobicContact CB-CD1 4.23Å; N436-Y454 WeakPolarHBondContact O-CA 3.46Å; N436-Y454 WeakPolarHBondContact O-CB 3.27Å; E437-Y454 VanDerWaalsContact O-CD1 3.31Å; E437-Y454 WeakPolarHBondContact O-CD1 3.41Å; E437-Y454 VanDerWaalsContact O-CE1 3.28Å; E437-Y454 WeakPolarHBondContact O-CE1 3.42Å; F438-Y454 HydrophobicContact CB-CD1 3.79Å; F438-Y454 HydrophobicContact CB-CD2 4.06Å; F438-Y454 HydrophobicContact CB-CE1 4.32Å; F438-Y454 HydrophobicContact CB-CG 3.62Å; F438-Y454 HydrophobicContact CD2-CD1 4.37Å; F438-Y454 AromaticContact CD2-CD2 3.68Å; F438-Y454 HydrophobicContact CD2-CD2 3.68Å; F438-Y454 HydrophobicContact CD2-CE1 4.23Å; F438-Y454 AromaticContact CD2-CE2 3.53Å; F438-Y454 HydrophobicContact CD2-CE2 3.53Å; F438-Y454 HydrophobicContact CD2-CG 4.1Å; F438-Y454 AromaticContact CD2-CZ 3.81Å; F438-Y454 HydrophobicContact CE2-CE2 4.2Å; F438-Y454 HydrophobicContact CG-CD2 4.27Å; F438-Y454 HydrophobicContact CG-CG 4.33Å; F438-Y454 VanDerWaalsContact N-CD1 3.35Å; A450-Y454 VanDerWaalsContact CB-O 3.31Å; A450-Y454 WeakPolarHBondContact CB-O 3.24Å; P451-Y454 HydrophobicContact CB-CD2 4.2Å; P451-Y454 WeakPolarHBondContact O-CB 3.33Å; P451-Y454 PolarHBondContact O-N 3.44Å | ||
| 455 | D | 97.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -106.4 | -24.3 | -178 | -55.3 | -65.8 | 0 | 0 | 0 | 111.9 | L368 L434 N436 Q510 | L368-D455 HydrophobicContact CD1-CB 4.35Å; L368-D455 HydrophobicContact CD2-CB 4.37Å; L434-D455 WeakPolarHBondContact O-CB 3.41Å; N436-D455 PolarHBondContact N-OD2 3.03Å; N436-D455 PolarHBondContact O-N 2.82Å; D455-Q510 PolarHBondContact O-NE2 3.14Å; D455-Q510 PolarHBondContact O-OE1 2.8Å |
| 456 | S | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.7 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | L434 N436 F438 L504 | L434-S456 VanDerWaalsContact O-CB 3.28Å; L434-S456 WeakPolarHBondContact O-CB 3.37Å; L434-S456 PolarHBondContact O-OG 3.01Å; N436-S456 PolarHBondContact O-N 3.18Å; F438-S456 WeakPolarHBondContact CB-O 3.3Å; F438-S456 PolarHBondContact N-O 3.21Å; S456-L504 WeakPolarHBondContact CA-O 3.32Å; S456-L504 VanDerWaalsContact CB-O 3.25Å; S456-L504 WeakPolarHBondContact CB-O 3.21Å |
| 457 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.3 | 169.1 | 174.9 | 0 | 0 | 0 | 0 | 108 | V401 F438 I440 L447 L504 Y506 | V401-V457 HydrophobicContact CG1-CB 4.39Å; V401-V457 HydrophobicContact CG1-CG1 3.6Å; F438-V457 HydrophobicContact CB-CG2 4.17Å; F438-V457 HydrophobicContact CD1-CG1 4.44Å; F438-V457 HydrophobicContact CD1-CG2 4.2Å; F438-V457 CarbonylContact O-C 3.56Å; F438-V457 WeakPolarHBondContact O-CA 3.41Å; I440-V457 HydrophobicContact CD1-CG1 3.96Å; I440-V457 HydrophobicContact CG1-CG1 4.07Å; I440-V457 HydrophobicContact CG2-CG1 4.17Å; L447-V457 HydrophobicContact CD1-CG1 4.17Å; L447-V457 HydrophobicContact CD1-CG2 4.3Å; V457-L504 HydrophobicContact CB-CB 4.42Å; V457-L504 PolarHBondContact N-O 2.87Å; V457-L504 WeakPolarHBondContact O-CB 3.33Å; V457-L504 PolarHBondContact O-N 2.9Å; V457-Y506 HydrophobicContact CB-CE2 3.84Å; V457-Y506 HydrophobicContact CG2-CE2 3.51Å |
| 458 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.6 | 172.6 | -166.4 | 0 | 0 | 0 | 0 | 109.4 | E437 F438 T439 I440 R460 E502 Y503 | E437-V458 HydrophobicContact CB-CG2 3.95Å; E437-V458 HydrophobicContact CG-CG2 3.85Å; F438-V458 PolarHBondContact O-N 2.81Å; T439-V458 WeakPolarHBondContact CA-O 3.44Å; I440-V458 PolarHBondContact N-O 2.89Å; V458-R460 PolarHBondContact O-N 2.97Å; V458-E502 WeakPolarHBondContact CA-O 3.16Å; V458-Y503 HydrophobicContact CB-CD1 4.43Å; V458-Y503 HydrophobicContact CG1-CD1 3.79Å; V458-Y503 HydrophobicContact CG1-CD2 4.32Å; V458-Y503 HydrophobicContact CG1-CE1 3.8Å; V458-Y503 HydrophobicContact CG1-CE2 4.3Å; V458-Y503 HydrophobicContact CG1-CG 4.07Å; V458-Y503 HydrophobicContact CG2-CD1 3.72Å; V458-Y503 HydrophobicContact CG2-CE1 4.09Å; V458-Y503 HydrophobicContact CG2-CG 4.48Å |
| 459 | A | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V401 I440 F498 S501 E502 | V401-A459 HydrophobicContact CG2-CB 3.72Å; I440-A459 HydrophobicContact CD1-CB 4.08Å; I440-A459 HydrophobicContact CG1-CB 3.74Å; I440-A459 WeakPolarHBondContact O-CA 3.48Å; A459-F498 HydrophobicContact CB-CD1 3.85Å; A459-F498 HydrophobicContact CB-CD2 3.91Å; A459-F498 HydrophobicContact CB-CE1 3.67Å; A459-F498 HydrophobicContact CB-CE2 3.73Å; A459-F498 HydrophobicContact CB-CG 3.99Å; A459-F498 HydrophobicContact CB-CZ 3.62Å; A459-S501 CarbonylContact O-C 3.59Å; A459-S501 WeakPolarHBondContact O-CA 3.38Å; A459-E502 HydrophobicContact CB-CB 4.27Å; A459-E502 PolarHBondContact N-O 2.85Å; A459-E502 PolarHBondContact O-N 3.34Å |
| 460 | R | 97.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | trans | -81 | 125.6 | -171.5 | -67.7 | -69.6 | -171 | -144 | -10.8 | 111.6 | E437 T439 I440 V458 Y493 S496 | E437-R460 IonicContact OE2-CZ 2.75Å; E437-R460 IonicContact OE2-NH1 2.73Å; E437-R460 IonicContact OE2-NH2 3.52Å; E437-R460 PolarHBondContact OE2-NH2 3.22Å; T439-R460 HydrophobicContact CG2-CB 4.43Å; T439-R460 HydrophobicContact CG2-CG 3.53Å; I440-R460 PolarHBondContact O-N 2.73Å; V458-R460 PolarHBondContact O-N 2.97Å; R460-Y493 HydrophobicContact CB-CD1 3.89Å; R460-Y493 HydrophobicContact CB-CD2 3.54Å; R460-Y493 HydrophobicContact CB-CE1 4.05Å; R460-Y493 HydrophobicContact CB-CE2 3.72Å; R460-Y493 HydrophobicContact CB-CG 3.64Å; R460-Y493 HydrophobicContact CG-CD1 4.3Å; R460-Y493 HydrophobicContact CG-CD2 3.99Å; R460-Y493 HydrophobicContact CG-CE1 3.93Å; R460-Y493 HydrophobicContact CG-CE2 3.6Å; R460-Y493 HydrophobicContact CG-CG 4.34Å; R460-S496 VanDerWaalsContact O-CB 3.26Å; R460-S496 WeakPolarHBondContact O-CB 3.25Å; R460-S496 PolarHBondContact O-OG 2.91Å | ||
| 461 | G | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -73.8 | 167.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F498 N500 S501 | G461-F498 CarbonylContact C-O 3.49Å; G461-F498 VanDerWaalsContact CA-O 3.23Å; G461-F498 WeakPolarHBondContact CA-O 3.47Å; G461-N500 VanDerWaalsContact CA-C 3.49Å; G461-S501 PolarHBondContact N-OG 3.39Å | ||
| 462 | L | 96.6 | Very high | 96.7 | Very high | 63 Ų | 63 | 45 Ų | 45 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -64.9 | -27.4 | 160.6 | -59.8 | 178.4 | 0 | 0 | 0 | 111.3 | E489 Q490 Y493 F498 S499 | L462-E489 CarbonylContact O-C 3.56Å; L462-E489 WeakPolarHBondContact O-CA 3.45Å; L462-Q490 PolarHBondContact O-N 3.07Å; L462-Y493 WeakPolarHBondContact CD2-O 3.36Å; L462-F498 PolarHBondContact N-O 2.87Å; L462-S499 PolarHBondContact N-O 3.4Å |
| 463 | M | 95 | Very high | 96.8 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.4 | -179.3 | -54.1 | -61.5 | -70 | 0 | 0 | 110.7 | A487 I488 E489 S499 | M463-A487 HydrophobicContact CB-CB 4.14Å; M463-A487 HydrophobicContact CE-CB 4.13Å; M463-A487 WeakPolarHBondContact CE-O 3.49Å; M463-I488 WeakPolarHBondContact CA-O 3.36Å; M463-E489 HydrophobicContact CE-CG 4.33Å; M463-E489 HydrophobicContact SD-CB 4.34Å; M463-E489 HydrophobicContact SD-CG 3.69Å; M463-S499 PolarHBondContact N-O 3.4Å |
| 464 | E | 96.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143.5 | 171.2 | -171.9 | 79.3 | -115.8 | 0 | 0 | 108.5 | S409 D466 A487 I488 Q490 S501 Y503 | S409-E464 WeakPolarHBondContact CB-OE1 3.21Å; S409-E464 PolarHBondContact OG-OE1 3.32Å; E464-D466 PolarHBondContact O-N 3.45Å; E464-A487 CarbonylContact O-C 3.54Å; E464-A487 WeakPolarHBondContact O-CA 3.37Å; E464-I488 PolarHBondContact N-O 2.86Å; E464-I488 VanDerWaalsContact N-O 3.08Å; E464-I488 WeakPolarHBondContact O-CG1 3.39Å; E464-I488 PolarHBondContact O-N 3.08Å; E464-Q490 HydrophobicContact CB-CG 3.78Å; E464-S501 WeakPolarHBondContact OE2-CB 3.49Å; E464-S501 PolarHBondContact OE2-OG 3.3Å; E464-Y503 VanDerWaalsContact CD-OH 3.28Å; E464-Y503 PolarHBondContact OE1-OH 3.16Å; E464-Y503 PolarHBondContact OE2-OH 2.88Å |
| 465 | P | 96.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 134.7 | 169.7 | -28 | 37.4 | 0 | 0 | 0 | 111.6 | T338 S409 E410 P467 P483 | T338-P465 HydrophobicContact CG2-CB 4.27Å; T338-P465 HydrophobicContact CG2-CG 3.83Å; S409-P465 WeakPolarHBondContact OG-CD 3.34Å; E410-P465 HydrophobicContact CG-CG 3.81Å; P465-P467 WeakPolarHBondContact O-CD 3.45Å; P465-P483 HydrophobicContact CB-CB 3.76Å; P465-P483 HydrophobicContact CG-CB 4.14Å |
| 466 | D | 96.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | trans | -55 | 109.1 | -179.6 | 179.8 | -2.6 | 0 | 0 | 0 | 111.6 | E464 S468 Q469 K486 I488 | E464-D466 PolarHBondContact O-N 3.45Å; D466-S468 PolarHBondContact O-N 3.04Å; D466-S468 VanDerWaalsContact O-N 3.16Å; D466-S468 WeakPolarHBondContact OD1-CB 3.13Å; D466-S468 PolarHBondContact OD1-N 3.3Å; D466-S468 PolarHBondContact OD1-OG 2.81Å; D466-S468 PolarHBondContact OD2-OG 2.86Å; D466-S468 VanDerWaalsContact OD2-OG 3.07Å; D466-Q469 HydrophobicContact CB-CG 4.29Å; D466-Q469 PolarHBondContact O-N 3.47Å; D466-Q469 VanDerWaalsContact O-N 3.08Å; D466-K486 PolarHBondContact N-O 3.06Å; D466-I488 HydrophobicContact CB-CD1 4Å; D466-I488 HydrophobicContact CB-CG1 4.23Å; D466-I488 HydrophobicContact CB-CG2 4.15Å | ||
| 467 | P | 94 | Very high | 95.7 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -65.7 | -19.8 | -175.4 | -21.6 | 34.5 | 0 | 0 | 0 | 113.3 | P465 Q469 D470 | P465-P467 WeakPolarHBondContact O-CD 3.45Å; P467-Q469 PolarHBondContact O-N 3.08Å; P467-D470 WeakPolarHBondContact O-CB 3.46Å; P467-D470 PolarHBondContact O-N 3Å |
| 468 | S | 96.2 | Very high | 95.5 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -69.7 | -16.9 | 177.2 | 74 | 0 | 0 | 0 | 0 | 113.1 | D466 | D466-S468 PolarHBondContact O-N 3.04Å; D466-S468 VanDerWaalsContact O-N 3.16Å; D466-S468 WeakPolarHBondContact OD1-CB 3.13Å; D466-S468 PolarHBondContact OD1-N 3.3Å; D466-S468 PolarHBondContact OD1-OG 2.81Å; D466-S468 PolarHBondContact OD2-OG 2.86Å; D466-S468 VanDerWaalsContact OD2-OG 3.07Å |
| 469 | Q | 97.1 | Very high | 95.4 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -97.4 | -4.1 | 177.9 | -62.4 | -66.1 | -34.3 | 0 | 0 | 112.5 | D466 P467 T471 Q484 | D466-Q469 HydrophobicContact CB-CG 4.29Å; D466-Q469 PolarHBondContact O-N 3.47Å; D466-Q469 VanDerWaalsContact O-N 3.08Å; P467-Q469 PolarHBondContact O-N 3.08Å; Q469-T471 PolarHBondContact O-N 3.34Å; Q469-Q484 VanDerWaalsContact O-CB 3.31Å; Q469-Q484 WeakPolarHBondContact O-CB 3.45Å |
| 470 | D | 97.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | trans | -56 | 140.7 | -178.7 | -73 | -2.3 | 0 | 0 | 0 | 111 | P467 T481 P483 | P467-D470 WeakPolarHBondContact O-CB 3.46Å; P467-D470 PolarHBondContact O-N 3Å; D470-T481 HydrophobicContact CB-CG2 3.81Å; D470-T481 WeakPolarHBondContact OD2-CG2 3.45Å; D470-P483 VanDerWaalsContact OD1-CA 3.31Å; D470-P483 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 471 | T | 97.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 164.6 | 169.2 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | I330 Q469 V482 Q484 | I330-T471 HydrophobicContact CD1-CG2 4.47Å; I330-T471 HydrophobicContact CG1-CG2 4.48Å; I330-T471 HydrophobicContact CG2-CG2 3.84Å; Q469-T471 PolarHBondContact O-N 3.34Å; T471-V482 HydrophobicContact CG2-CB 3.96Å; T471-V482 PolarHBondContact N-O 3.41Å; T471-V482 PolarHBondContact O-N 2.92Å; T471-Q484 HydrophobicContact CG2-CG 3.59Å |
| 472 | V | 97.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.2 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | Q479 V480 | V472-Q479 HydrophobicContact CG1-CB 3.69Å; V472-Q479 HydrophobicContact CG1-CG 4.31Å; V472-V480 WeakPolarHBondContact CA-O 3.28Å |
| 473 | I | 96.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.3 | 171.5 | 63.7 | 175.3 | 0 | 0 | 0 | 109.2 | I330 L373 L475 V480 V482 F515 | I330-I473 HydrophobicContact CD1-CG2 3.68Å; I330-I473 HydrophobicContact CG2-CG2 4.37Å; L373-I473 HydrophobicContact CD2-CD1 4.15Å; I473-L475 HydrophobicContact CD1-CD1 3.83Å; I473-L475 HydrophobicContact CD1-CD2 4.25Å; I473-L475 HydrophobicContact CD1-CG 3.98Å; I473-L475 HydrophobicContact CG1-CD1 4.31Å; I473-L475 HydrophobicContact CG1-CG 4.17Å; I473-V480 HydrophobicContact CG1-CB 4.09Å; I473-V480 PolarHBondContact N-O 2.94Å; I473-V480 PolarHBondContact O-N 2.88Å; I473-V482 HydrophobicContact CB-CG2 4.49Å; I473-V482 HydrophobicContact CD1-CG2 3.81Å; I473-V482 HydrophobicContact CG1-CG2 3.75Å; I473-V482 HydrophobicContact CG2-CG2 4.08Å; I473-F515 HydrophobicContact CD1-CE2 4.5Å |
| 474 | T | 96.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.3 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | K478 Q479 | T474-K478 WeakPolarHBondContact CA-O 3.5Å; T474-Q479 PolarHBondContact OG1-NE2 3.4Å |
| 475 | L | 92.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114.6 | 173.9 | -65.2 | 175.2 | 0 | 0 | 0 | 107.5 | E431 I473 D477 K478 V480 R514 | E431-L475 HydrophobicContact CB-CD1 4.48Å; I473-L475 HydrophobicContact CD1-CD1 3.83Å; I473-L475 HydrophobicContact CD1-CD2 4.25Å; I473-L475 HydrophobicContact CD1-CG 3.98Å; I473-L475 HydrophobicContact CG1-CD1 4.31Å; I473-L475 HydrophobicContact CG1-CG 4.17Å; L475-D477 PolarHBondContact O-N 2.64Å; L475-K478 PolarHBondContact N-O 3.47Å; L475-K478 WeakPolarHBondContact O-CB 3.39Å; L475-K478 PolarHBondContact O-N 2.97Å; L475-V480 HydrophobicContact CB-CG2 4.13Å; L475-V480 HydrophobicContact CD1-CB 4.29Å; L475-V480 HydrophobicContact CD1-CG1 4.46Å; L475-V480 HydrophobicContact CD1-CG2 4Å; L475-V480 HydrophobicContact CG-CG2 4.31Å; L475-R514 HydrophobicContact CD1-CG 3.85Å |
| 476 | E | 88.1 | Confident | 95.5 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 54.4 | 179.6 | -64.7 | 168.6 | -179.6 | 0 | 0 | 112.9 | K478 R512 R514 | E476-K478 PolarHBondContact O-N 2.77Å; E476-R512 IonicContact OE1-CZ 3.12Å; E476-R512 IonicContact OE1-NH1 2.69Å; E476-R512 PolarHBondContact OE1-NH1 3.37Å; E476-R512 IonicContact OE1-NH2 2.92Å; E476-R512 PolarHBondContact OE1-NH2 3.19Å; E476-R512 IonicContact OE2-CZ 3.72Å; E476-R512 IonicContact OE2-NH1 2.67Å; E476-R512 PolarHBondContact OE2-NH1 2.93Å; E476-R514 VanDerWaalsContact CD-NH1 3.29Å; E476-R514 VanDerWaalsContact CD-NH2 3.3Å; E476-R514 IonicContact OE1-CZ 2.7Å; E476-R514 IonicContact OE1-NH1 3.99Å; E476-R514 PolarHBondContact OE1-NH1 3.03Å; E476-R514 IonicContact OE1-NH2 3.66Å; E476-R514 IonicContact OE2-CZ 3.78Å; E476-R514 IonicContact OE2-NH1 3.27Å; E476-R514 IonicContact OE2-NH2 2.94Å; E476-R514 PolarHBondContact OE2-NH2 2.71Å |
| 477 | D | 87.8 | Confident | 95.4 | Very high | 154 Ų | 154 | 58.9 Ų | 58.9 | 82% | 0.824 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 6.5 | -179.9 | -52.2 | -45.8 | 0 | 0 | 0 | 115.7 | L475 | L475-D477 PolarHBondContact O-N 2.64Š|
| 478 | K | 92.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.9 | 173.4 | -60.4 | -67.6 | 176 | 170.5 | 0 | 111 | E366 T474 L475 E476 | E366-K478 PolarHBondContact O-NZ 3.38Å; T474-K478 WeakPolarHBondContact CA-O 3.5Å; L475-K478 PolarHBondContact N-O 3.47Å; L475-K478 WeakPolarHBondContact O-CB 3.39Å; L475-K478 PolarHBondContact O-N 2.97Å; E476-K478 PolarHBondContact O-N 2.77Å |
| 479 | Q | 96.4 | Very high | 95.5 | Very high | 120 Ų | 120 | 61.5 Ų | 61.5 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 122 | 171.8 | -64.8 | -59.3 | -48.4 | 0 | 0 | 108.8 | V472 T474 | V472-Q479 HydrophobicContact CG1-CB 3.69Å; V472-Q479 HydrophobicContact CG1-CG 4.31Å; T474-Q479 PolarHBondContact OG1-NE2 3.4Å |
| 480 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.1 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | R371 L373 E431 V472 I473 L475 | R371-V480 HydrophobicContact CB-CB 4.48Å; R371-V480 HydrophobicContact CB-CG1 4.41Å; R371-V480 HydrophobicContact CB-CG2 4.02Å; L373-V480 HydrophobicContact CB-CG1 4.05Å; E431-V480 HydrophobicContact CG-CG1 4.17Å; E431-V480 HydrophobicContact CG-CG2 3.9Å; V472-V480 WeakPolarHBondContact CA-O 3.28Å; I473-V480 HydrophobicContact CG1-CB 4.09Å; I473-V480 PolarHBondContact N-O 2.94Å; I473-V480 PolarHBondContact O-N 2.88Å; L475-V480 HydrophobicContact CB-CG2 4.13Å; L475-V480 HydrophobicContact CD1-CB 4.29Å; L475-V480 HydrophobicContact CD1-CG1 4.46Å; L475-V480 HydrophobicContact CD1-CG2 4Å; L475-V480 HydrophobicContact CG-CG2 4.31Å |
| 481 | T | 98.2 | Very high | 95.3 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 132.1 | 179.5 | -56 | 0 | 0 | 0 | 0 | 110.4 | R371 R372 L373 D470 | R371-T481 PolarHBondContact O-N 3.4Å; R372-T481 WeakPolarHBondContact CA-O 3.34Å; L373-T481 PolarHBondContact N-O 3.21Å; D470-T481 HydrophobicContact CB-CG2 3.81Å; D470-T481 WeakPolarHBondContact OD2-CG2 3.45Å |
| 482 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.9 | 176.4 | -169 | 0 | 0 | 0 | 0 | 108.3 | I330 Y334 L373 T471 I473 Q484 | I330-V482 HydrophobicContact CG2-CB 4.3Å; I330-V482 HydrophobicContact CG2-CG1 3.96Å; I330-V482 HydrophobicContact CG2-CG2 4.49Å; Y334-V482 HydrophobicContact CD1-CG1 3.54Å; Y334-V482 HydrophobicContact CE1-CG1 4Å; Y334-V482 HydrophobicContact CG-CG1 4.05Å; L373-V482 HydrophobicContact CB-CG1 4.44Å; L373-V482 HydrophobicContact CB-CG2 3.87Å; L373-V482 HydrophobicContact CD2-CG1 4.13Å; L373-V482 HydrophobicContact CD2-CG2 3.98Å; T471-V482 HydrophobicContact CG2-CB 3.96Å; T471-V482 PolarHBondContact N-O 3.41Å; T471-V482 PolarHBondContact O-N 2.92Å; I473-V482 HydrophobicContact CB-CG2 4.49Å; I473-V482 HydrophobicContact CD1-CG2 3.81Å; I473-V482 HydrophobicContact CG1-CG2 3.75Å; I473-V482 HydrophobicContact CG2-CG2 4.08Å; V482-Q484 PolarHBondContact O-N 3.48Å |
| 483 | P | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | trans | -61.8 | 139.4 | 176.6 | -21.1 | 30.4 | 0 | 0 | 0 | 112.4 | Y334 P465 D470 | Y334-P483 HydrophobicContact CD2-CB 4.25Å; Y334-P483 WeakPolarHBondContact CD2-O 3.1Å; Y334-P483 HydrophobicContact CE2-CB 3.61Å; Y334-P483 HydrophobicContact CE2-CG 3.94Å; Y334-P483 WeakPolarHBondContact CE2-O 3.45Å; Y334-P483 VanDerWaalsContact CG-O 3.25Å; P465-P483 HydrophobicContact CB-CB 3.76Å; P465-P483 HydrophobicContact CG-CB 4.14Å; D470-P483 VanDerWaalsContact OD1-CA 3.31Å; D470-P483 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 484 | Q | 97.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 71.1 Ų | 71.1 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | trans | -132.8 | -7.1 | 177.4 | -54.8 | -77.5 | -73.7 | 0 | 0 | 113.2 | I330 K333 S337 Q469 T471 V482 | I330-Q484 PolarHBondContact O-NE2 3.11Å; I330-Q484 VanDerWaalsContact O-NE2 3.1Å; K333-Q484 HydrophobicContact CD-CB 4.44Å; S337-Q484 WeakPolarHBondContact CB-O 3.47Å; S337-Q484 PolarHBondContact OG-O 2.82Å; Q469-Q484 VanDerWaalsContact O-CB 3.31Å; Q469-Q484 WeakPolarHBondContact O-CB 3.45Å; T471-Q484 HydrophobicContact CG2-CG 3.59Å; V482-Q484 PolarHBondContact O-N 3.48Å | ||
| 485 | G | 94.8 | Very high | 95 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -78.6 | 158.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 486 | K | 94.6 | Very high | 95.2 | Very high | 160 Ų | 160 | 73.5 Ų | 73.5 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 155.1 | 163 | -69.8 | -177.1 | 179.2 | 178.4 | 0 | 109.3 | S337 D466 I488 | S337-K486 WeakPolarHBondContact O-CA 3.47Å; D466-K486 PolarHBondContact N-O 3.06Å; K486-I488 PolarHBondContact O-N 2.89Å |
| 487 | A | 93.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 26% | 0.256 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 128.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E410 M463 E464 | E410-A487 WeakPolarHBondContact OE2-CB 3.5Å; M463-A487 HydrophobicContact CB-CB 4.14Å; M463-A487 HydrophobicContact CE-CB 4.13Å; M463-A487 WeakPolarHBondContact CE-O 3.49Å; E464-A487 CarbonylContact O-C 3.54Å; E464-A487 WeakPolarHBondContact O-CA 3.37Å |
| 488 | I | 95.7 | Very high | 95.9 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 35% | 0.354 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152 | 175.1 | 59.6 | 169.6 | 0 | 0 | 0 | 109.7 | M463 E464 D466 K486 Q490 | M463-I488 WeakPolarHBondContact CA-O 3.36Å; E464-I488 PolarHBondContact N-O 2.86Å; E464-I488 VanDerWaalsContact N-O 3.08Å; E464-I488 WeakPolarHBondContact O-CG1 3.39Å; E464-I488 PolarHBondContact O-N 3.08Å; D466-I488 HydrophobicContact CB-CD1 4Å; D466-I488 HydrophobicContact CB-CG1 4.23Å; D466-I488 HydrophobicContact CB-CG2 4.15Å; K486-I488 PolarHBondContact O-N 2.89Å; I488-Q490 PolarHBondContact O-NE2 3.14Å |
| 489 | E | 96.3 | Very high | 96 | Very high | 152 Ų | 152 | 63.6 Ų | 63.6 | 71% | 0.71 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 144.8 | 175.8 | -68.6 | -178.3 | -179.3 | 0 | 0 | 111 | L462 M463 P491 | L462-E489 CarbonylContact O-C 3.56Å; L462-E489 WeakPolarHBondContact O-CA 3.45Å; M463-E489 HydrophobicContact CE-CG 4.33Å; M463-E489 HydrophobicContact SD-CB 4.34Å; M463-E489 HydrophobicContact SD-CG 3.69Å; E489-P491 WeakPolarHBondContact O-CD 3.43Å |
| 490 | Q | 96.2 | Very high | 95.8 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | trans | -110.9 | 89.7 | 176.1 | -61.4 | -60.4 | -52.9 | 0 | 0 | 109.4 | L462 E464 I488 Q492 Y493 R494 | L462-Q490 PolarHBondContact O-N 3.07Å; E464-Q490 HydrophobicContact CB-CG 3.78Å; I488-Q490 PolarHBondContact O-NE2 3.14Å; Q490-Q492 VanDerWaalsContact C-OE1 3.31Å; Q490-Q492 PolarHBondContact O-N 2.99Å; Q490-Q492 VanDerWaalsContact O-N 3.1Å; Q490-Y493 HydrophobicContact CB-CD2 3.77Å; Q490-Y493 HydrophobicContact CG-CD2 4.37Å; Q490-Y493 CarbonylContact O-C 3.55Å; Q490-Y493 PolarHBondContact O-N 2.97Å; Q490-R494 PolarHBondContact O-N 2.79Å | ||
| 491 | P | 95 | Very high | 95.8 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -56.7 | -32.5 | -173.3 | -26.6 | 35.1 | 0 | 0 | 0 | 114 | E489 Y493 R494 | E489-P491 WeakPolarHBondContact O-CD 3.43Å; P491-Y493 PolarHBondContact O-N 2.84Å; P491-R494 PolarHBondContact O-N 2.96Å |
| 492 | Q | 95.7 | Very high | 95.7 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -66.1 | -21.2 | 176.9 | 70.4 | -80.6 | 21.2 | 0 | 0 | 113.3 | Q490 | Q490-Q492 VanDerWaalsContact C-OE1 3.31Å; Q490-Q492 PolarHBondContact O-N 2.99Å; Q490-Q492 VanDerWaalsContact O-N 3.1Å |
| 493 | Y | 96.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -113.8 | 18.7 | -179.6 | -53.8 | -52.1 | 0 | 0 | 0 | 113.3 | T439 T441 R460 L462 Q490 P491 N495 S496 | T439-Y493 HydrophobicContact CG2-CE1 3.96Å; T441-Y493 HydrophobicContact CG2-CD1 3.84Å; R460-Y493 HydrophobicContact CB-CD1 3.89Å; R460-Y493 HydrophobicContact CB-CD2 3.54Å; R460-Y493 HydrophobicContact CB-CE1 4.05Å; R460-Y493 HydrophobicContact CB-CE2 3.72Å; R460-Y493 HydrophobicContact CB-CG 3.64Å; R460-Y493 HydrophobicContact CG-CD1 4.3Å; R460-Y493 HydrophobicContact CG-CD2 3.99Å; R460-Y493 HydrophobicContact CG-CE1 3.93Å; R460-Y493 HydrophobicContact CG-CE2 3.6Å; R460-Y493 HydrophobicContact CG-CG 4.34Å; L462-Y493 WeakPolarHBondContact CD2-O 3.36Å; Q490-Y493 HydrophobicContact CB-CD2 3.77Å; Q490-Y493 HydrophobicContact CG-CD2 4.37Å; Q490-Y493 CarbonylContact O-C 3.55Å; Q490-Y493 PolarHBondContact O-N 2.97Å; P491-Y493 PolarHBondContact O-N 2.84Å; Y493-N495 PolarHBondContact O-N 3.29Å; Y493-S496 WeakPolarHBondContact O-CB 3.45Å; Y493-S496 PolarHBondContact O-N 2.72Å |
| 494 | R | 94.6 | Very high | 95.6 | Very high | 193 Ų | 193 | 58.1 Ų | 58.1 | 73% | 0.728 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -21.7 | -179.4 | 69.1 | -178.6 | -177.6 | 177.9 | -1.1 | 116.2 | Q490 P491 | Q490-R494 PolarHBondContact O-N 2.79Å; P491-R494 PolarHBondContact O-N 2.96Å |
| 495 | N | 94.9 | Very high | 95.6 | Very high | 132 Ų | 132 | 57.8 Ų | 57.8 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11.3 | 179 | -64.9 | -29.7 | 0 | 0 | 0 | 112.7 | Y493 | Y493-N495 PolarHBondContact O-N 3.29Š|
| 496 | S | 97.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | trans | -70.6 | 141.9 | 179.2 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | T441 R460 Y493 F498 | T441-S496 WeakPolarHBondContact O-CA 3.24Å; T441-S496 PolarHBondContact O-OG 3.43Å; R460-S496 VanDerWaalsContact O-CB 3.26Å; R460-S496 WeakPolarHBondContact O-CB 3.25Å; R460-S496 PolarHBondContact O-OG 2.91Å; Y493-S496 WeakPolarHBondContact O-CB 3.45Å; Y493-S496 PolarHBondContact O-N 2.72Å; S496-F498 PolarHBondContact OG-N 2.96Å; S496-F498 VanDerWaalsContact OG-N 3.11Å | ||
| 497 | S | 95.4 | Very high | 95.6 | Very high | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -76 | -9.3 | 168.8 | 60 | 0 | 0 | 0 | 0 | 112.8 | R400 T441 R442 D443 | R400-S497 PolarHBondContact NH2-O 3.13Å; R400-S497 PolarHBondContact NH2-OG 3.5Å; T441-S497 PolarHBondContact O-N 3Å; T441-S497 PolarHBondContact O-OG 3.47Å; R442-S497 WeakPolarHBondContact CA-OG 3.49Å; D443-S497 PolarHBondContact OD1-OG 3.07Å; D443-S497 VanDerWaalsContact OD1-OG 3.07Å |
| 498 | F | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -99 | 128.1 | -179.5 | -61 | -92.7 | 0 | 0 | 0 | 110.1 | R400 V401 A459 G461 L462 S496 | R400-F498 HydrophobicContact CB-CE1 3.78Å; R400-F498 HydrophobicContact CB-CZ 4.17Å; R400-F498 VanDerWaalsContact CZ-CD1 3.4Å; R400-F498 VanDerWaalsContact CZ-CE1 3.42Å; R400-F498 VanDerWaalsContact NH1-CD1 3.28Å; V401-F498 HydrophobicContact CG2-CE1 3.81Å; V401-F498 HydrophobicContact CG2-CZ 3.79Å; A459-F498 HydrophobicContact CB-CD1 3.85Å; A459-F498 HydrophobicContact CB-CD2 3.91Å; A459-F498 HydrophobicContact CB-CE1 3.67Å; A459-F498 HydrophobicContact CB-CE2 3.73Å; A459-F498 HydrophobicContact CB-CG 3.99Å; A459-F498 HydrophobicContact CB-CZ 3.62Å; G461-F498 CarbonylContact C-O 3.49Å; G461-F498 VanDerWaalsContact CA-O 3.23Å; G461-F498 WeakPolarHBondContact CA-O 3.47Å; L462-F498 PolarHBondContact N-O 2.87Å; S496-F498 PolarHBondContact OG-N 2.96Å; S496-F498 VanDerWaalsContact OG-N 3.11Å | ||
| 499 | S | 93.9 | Very high | 95.6 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -73.2 | -44.6 | 174.5 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | L462 M463 | L462-S499 PolarHBondContact N-O 3.4Å; M463-S499 PolarHBondContact N-O 3.4Å |
| 500 | N | 93.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -119.2 | 152.8 | 178.3 | -51.8 | 98.6 | 0 | 0 | 0 | 109 | E410 K413 G461 | E410-N500 WeakPolarHBondContact OE1-CB 3.48Å; E410-N500 PolarHBondContact OE1-ND2 3.24Å; E410-N500 PolarHBondContact OE2-ND2 2.99Å; K413-N500 HydrophobicContact CB-CB 4.39Å; K413-N500 HydrophobicContact CD-CB 4.48Å; G461-N500 VanDerWaalsContact CA-C 3.49Å |
| 501 | S | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -69.6 | 140.5 | 177 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | A459 G461 E464 | A459-S501 CarbonylContact O-C 3.59Å; A459-S501 WeakPolarHBondContact O-CA 3.38Å; G461-S501 PolarHBondContact N-OG 3.39Å; E464-S501 WeakPolarHBondContact OE2-CB 3.49Å; E464-S501 PolarHBondContact OE2-OG 3.3Å | ||
| 502 | E | 96.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.3 | 172.7 | -60.9 | 177.8 | -162.1 | 0 | 0 | 108.7 | Y406 K413 V458 A459 L504 | Y406-E502 WeakPolarHBondContact CE1-OE2 3.44Å; K413-E502 WeakPolarHBondContact CE-OE1 3.29Å; K413-E502 IonicContact NZ-OE1 3.2Å; K413-E502 PolarHBondContact NZ-OE1 2.96Å; V458-E502 WeakPolarHBondContact CA-O 3.16Å; A459-E502 HydrophobicContact CB-CB 4.27Å; A459-E502 PolarHBondContact N-O 2.85Å; A459-E502 PolarHBondContact O-N 3.34Å; E502-L504 HydrophobicContact CB-CD1 4.06Å |
| 503 | Y | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.1 | -178.3 | -67.8 | -103.2 | 0 | 0 | 0 | 108.8 | R372 L374 F407 L434 V458 E464 | R372-Y503 PolarHBondContact NH1-OH 2.91Å; L374-Y503 HydrophobicContact CD1-CD1 4.01Å; L374-Y503 HydrophobicContact CD1-CD2 4.2Å; L374-Y503 HydrophobicContact CD1-CG 3.68Å; L374-Y503 HydrophobicContact CD2-CD2 4.3Å; L374-Y503 HydrophobicContact CD2-CE2 4.44Å; F407-Y503 PolarHBondContact N-O 2.83Å; F407-Y503 PolarHBondContact O-N 2.82Å; L434-Y503 HydrophobicContact CD1-CD1 3.56Å; L434-Y503 HydrophobicContact CD1-CE1 3.91Å; L434-Y503 HydrophobicContact CD2-CD1 4.07Å; L434-Y503 HydrophobicContact CG-CD1 4.49Å; V458-Y503 HydrophobicContact CB-CD1 4.43Å; V458-Y503 HydrophobicContact CG1-CD1 3.79Å; V458-Y503 HydrophobicContact CG1-CD2 4.32Å; V458-Y503 HydrophobicContact CG1-CE1 3.8Å; V458-Y503 HydrophobicContact CG1-CE2 4.3Å; V458-Y503 HydrophobicContact CG1-CG 4.07Å; V458-Y503 HydrophobicContact CG2-CD1 3.72Å; V458-Y503 HydrophobicContact CG2-CE1 4.09Å; V458-Y503 HydrophobicContact CG2-CG 4.48Å; E464-Y503 VanDerWaalsContact CD-OH 3.28Å; E464-Y503 PolarHBondContact OE1-OH 3.16Å; E464-Y503 PolarHBondContact OE2-OH 2.88Å |
| 504 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135 | -174.3 | -74.4 | 93 | 0 | 0 | 0 | 112.6 | V401 I405 Y406 S456 V457 E502 Y506 | V401-L504 HydrophobicContact CB-CD1 3.65Å; V401-L504 HydrophobicContact CB-CD2 3.55Å; V401-L504 HydrophobicContact CB-CG 4.23Å; V401-L504 HydrophobicContact CG1-CD1 3.71Å; V401-L504 HydrophobicContact CG1-CD2 3.8Å; V401-L504 HydrophobicContact CG1-CG 4.29Å; V401-L504 HydrophobicContact CG2-CD1 3.87Å; V401-L504 WeakPolarHBondContact O-CD2 3.42Å; I405-L504 WeakPolarHBondContact O-CA 3.35Å; Y406-L504 HydrophobicContact CD1-CD1 4.08Å; Y406-L504 HydrophobicContact CD1-CD2 4.02Å; Y406-L504 HydrophobicContact CD1-CG 4.02Å; Y406-L504 HydrophobicContact CD2-CD2 4.14Å; Y406-L504 HydrophobicContact CE1-CD1 4.05Å; Y406-L504 HydrophobicContact CE1-CD2 3.62Å; Y406-L504 HydrophobicContact CE1-CG 4.06Å; Y406-L504 HydrophobicContact CE2-CD2 3.72Å; Y406-L504 HydrophobicContact CG-CD2 4.27Å; Y406-L504 HydrophobicContact CG-CG 4.29Å; Y406-L504 VanDerWaalsContact CZ-CD2 3.44Å; S456-L504 WeakPolarHBondContact CA-O 3.32Å; S456-L504 VanDerWaalsContact CB-O 3.25Å; S456-L504 WeakPolarHBondContact CB-O 3.21Å; V457-L504 HydrophobicContact CB-CB 4.42Å; V457-L504 PolarHBondContact N-O 2.87Å; V457-L504 WeakPolarHBondContact O-CB 3.33Å; V457-L504 PolarHBondContact O-N 2.9Å; E502-L504 HydrophobicContact CB-CD1 4.06Å; L504-Y506 HydrophobicContact CB-CE2 4.16Å |
| 505 | I | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.3 | 166.9 | 60 | 176.1 | 0 | 0 | 0 | 109.8 | G404 I405 F407 V432 L434 Q510 C511 | G404-I505 CarbonylContact C-O 3.58Å; G404-I505 VanDerWaalsContact CA-O 3.25Å; G404-I505 WeakPolarHBondContact CA-O 3.3Å; I405-I505 HydrophobicContact CB-CD1 4.24Å; I405-I505 HydrophobicContact CB-CG1 3.84Å; I405-I505 HydrophobicContact CD1-CD1 4.09Å; I405-I505 HydrophobicContact CD1-CG1 4.39Å; I405-I505 HydrophobicContact CG1-CD1 4.46Å; I405-I505 HydrophobicContact CG1-CG1 4.23Å; I405-I505 PolarHBondContact N-O 2.73Å; I405-I505 PolarHBondContact O-N 2.99Å; F407-I505 HydrophobicContact CE2-CD1 3.73Å; F407-I505 HydrophobicContact CE2-CG1 3.89Å; F407-I505 HydrophobicContact CZ-CD1 4.32Å; V432-I505 HydrophobicContact CG1-CD1 4.3Å; V432-I505 HydrophobicContact CG1-CG2 3.54Å; L434-I505 HydrophobicContact CD2-CG2 4.4Å; I505-Q510 HydrophobicContact CB-CB 3.98Å; I505-Q510 HydrophobicContact CD1-CB 3.76Å; I505-Q510 HydrophobicContact CG1-CB 4.43Å; I505-Q510 HydrophobicContact CG2-CB 3.93Å; I505-C511 HydrophobicContact CD1-CB 3.54Å |
| 506 | Y | 94.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 20.2 Ų | 20.2 | 9% | 0.086 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -116.5 | 15.3 | -178.1 | -59.5 | -90.7 | 0 | 0 | 0 | 112.4 | I393 V401 S403 L447 A450 V457 L504 | I393-Y506 VanDerWaalsContact CD1-O 3.3Å; I393-Y506 WeakPolarHBondContact CD1-O 3.49Å; V401-Y506 PolarHBondContact O-OH 3.04Å; S403-Y506 WeakPolarHBondContact O-CD1 3.45Å; L447-Y506 HydrophobicContact CB-CE1 4.02Å; L447-Y506 WeakPolarHBondContact CB-OH 3.31Å; A450-Y506 HydrophobicContact CB-CD2 4.25Å; A450-Y506 VanDerWaalsContact N-CD2 3.34Å; V457-Y506 HydrophobicContact CB-CE2 3.84Å; V457-Y506 HydrophobicContact CG2-CE2 3.51Å; L504-Y506 HydrophobicContact CB-CE2 4.16Å |
| 507 | K | 94.6 | Very high | 96.4 | Very high | 123 Ų | 123 | 19.6 Ų | 19.6 | 54% | 0.535 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -134 | 131.4 | 166.6 | -58.6 | 174.4 | -175.3 | 168.1 | 0 | 109.3 | I393 S509 Q510 | I393-K507 VanDerWaalsContact CD1-N 3.3Å; K507-S509 PolarHBondContact O-N 3.11Å; K507-Q510 HydrophobicContact CB-CG 4.18Å; K507-Q510 WeakPolarHBondContact O-CB 3.31Å; K507-Q510 PolarHBondContact O-N 3.04Å; K507-Q510 VanDerWaalsContact O-N 3.07Å |
| 508 | E | 94.8 | Very high | 96.5 | Very high | 53 Ų | 53 | 17.9 Ų | 17.9 | 25% | 0.248 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -63.4 | -25.1 | 178.4 | -58.8 | -177.5 | 178.2 | 0 | 0 | 112.8 | R361 R392 I393 I405 Q510 C511 | R361-E508 IonicContact NH1-OE2 2.65Å; R361-E508 PolarHBondContact NH1-OE2 2.97Å; R392-E508 VanDerWaalsContact CA-OE1 3.22Å; R392-E508 WeakPolarHBondContact CA-OE1 3.36Å; I393-E508 HydrophobicContact CB-CG 4.41Å; I393-E508 HydrophobicContact CD1-CG 4.09Å; I393-E508 HydrophobicContact CG1-CG 3.97Å; I393-E508 PolarHBondContact N-OE1 2.69Å; I405-E508 HydrophobicContact CD1-CG 4.34Å; E508-Q510 PolarHBondContact O-N 3.24Å; E508-C511 PolarHBondContact O-N 2.89Å |
| 509 | S | 96.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 8% | 0.077 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -68.5 | -15.9 | 176.1 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | R361 F362 E364 N365 K507 C511 | R361-S509 WeakPolarHBondContact O-CB 3.37Å; F362-S509 WeakPolarHBondContact CD2-O 3.38Å; E364-S509 VanDerWaalsContact OE2-CB 3.23Å; E364-S509 WeakPolarHBondContact OE2-CB 3.38Å; E364-S509 PolarHBondContact OE2-OG 3.4Å; N365-S509 WeakPolarHBondContact ND2-CB 3.2Å; N365-S509 PolarHBondContact ND2-O 3.38Å; N365-S509 PolarHBondContact ND2-OG 3.45Å; K507-S509 PolarHBondContact O-N 3.11Å; S509-C511 VanDerWaalsContact C-N 3.29Å; S509-C511 PolarHBondContact O-N 3Å |
| 510 | Q | 97.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.019 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -81.1 | -1.2 | 179.7 | -71.4 | 176.8 | -95.6 | 0 | 0 | 114.2 | N365 L368 V432 A433 D455 I505 K507 E508 | N365-Q510 WeakPolarHBondContact OD1-CG 3.47Å; L368-Q510 HydrophobicContact CD1-CG 4.34Å; V432-Q510 WeakPolarHBondContact CA-O 3.26Å; A433-Q510 PolarHBondContact N-O 2.78Å; A433-Q510 PolarHBondContact O-NE2 2.85Å; A433-Q510 VanDerWaalsContact O-NE2 3.15Å; D455-Q510 PolarHBondContact O-NE2 3.14Å; D455-Q510 PolarHBondContact O-OE1 2.8Å; I505-Q510 HydrophobicContact CB-CB 3.98Å; I505-Q510 HydrophobicContact CD1-CB 3.76Å; I505-Q510 HydrophobicContact CG1-CB 4.43Å; I505-Q510 HydrophobicContact CG2-CB 3.93Å; K507-Q510 HydrophobicContact CB-CG 4.18Å; K507-Q510 WeakPolarHBondContact O-CB 3.31Å; K507-Q510 PolarHBondContact O-N 3.04Å; K507-Q510 VanDerWaalsContact O-N 3.07Å; E508-Q510 PolarHBondContact O-N 3.24Å |
| 511 | C | 96.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.7 | 171.3 | 66 | 0 | 0 | 0 | 0 | 112.5 | F407 E431 V432 I505 E508 S509 | F407-C511 HydrophobicContact CE2-CB 4.28Å; F407-C511 HydrophobicContact CZ-CB 3.72Å; E431-C511 VanDerWaalsContact O-CA 3.32Å; E431-C511 WeakPolarHBondContact O-CA 3.47Å; V432-C511 HydrophobicContact CG2-CB 4.43Å; I505-C511 HydrophobicContact CD1-CB 3.54Å; E508-C511 PolarHBondContact O-N 2.89Å; S509-C511 VanDerWaalsContact C-N 3.29Å; S509-C511 PolarHBondContact O-N 3Å |
| 512 | R | 97.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 5% | 0.053 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.7 | 167.3 | 177.8 | 163.1 | -178 | -168.4 | -5.6 | 109.8 | D354 E358 G359 F362 S430 E431 E476 R514 | D354-R512 IonicContact OD1-CZ 3.97Å; D354-R512 IonicContact OD1-NH2 2.93Å; D354-R512 PolarHBondContact OD1-NH2 2.93Å; E358-R512 HydrophobicContact CG-CB 4.4Å; E358-R512 HydrophobicContact CG-CG 4.07Å; G359-R512 VanDerWaalsContact CA-NH1 3.35Å; F362-R512 HydrophobicContact CB-CB 4.22Å; F362-R512 HydrophobicContact CD1-CB 4.07Å; F362-R512 HydrophobicContact CD2-CB 3.79Å; F362-R512 HydrophobicContact CE1-CB 4.34Å; F362-R512 HydrophobicContact CE2-CB 4.13Å; F362-R512 HydrophobicContact CG-CB 3.79Å; F362-R512 HydrophobicContact CZ-CB 4.38Å; S430-R512 CarbonylContact C-O 3.51Å; S430-R512 VanDerWaalsContact CA-O 3.29Å; S430-R512 WeakPolarHBondContact CA-O 3.42Å; E431-R512 PolarHBondContact N-O 3.01Å; E431-R512 PolarHBondContact O-N 3.48Å; E476-R512 IonicContact OE1-CZ 3.12Å; E476-R512 IonicContact OE1-NH1 2.69Å; E476-R512 PolarHBondContact OE1-NH1 3.37Å; E476-R512 IonicContact OE1-NH2 2.92Å; E476-R512 PolarHBondContact OE1-NH2 3.19Å; E476-R512 IonicContact OE2-CZ 3.72Å; E476-R512 IonicContact OE2-NH1 2.67Å; E476-R512 PolarHBondContact OE2-NH1 2.93Å; R512-R514 VanDerWaalsContact CZ-NH1 3.31Å; R512-R514 PolarHBondContact O-N 3.07Å |
| 513 | L | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 127.8 | 172.9 | -61.5 | -179.7 | 0 | 0 | 0 | 108 | V353 E358 I386 L391 F428 S430 | V353-L513 HydrophobicContact CB-CB 4.26Å; V353-L513 HydrophobicContact CG1-CB 3.8Å; V353-L513 HydrophobicContact CG1-CD1 4.45Å; E358-L513 PolarHBondContact OE2-N 3.16Å; I386-L513 HydrophobicContact CG2-CD1 3.68Å; L391-L513 HydrophobicContact CD1-CD2 3.87Å; L391-L513 HydrophobicContact CG-CD2 4.01Å; F428-L513 HydrophobicContact CB-CD2 4.14Å; F428-L513 HydrophobicContact CD1-CD1 4.26Å; F428-L513 HydrophobicContact CD1-CD2 4.03Å; F428-L513 HydrophobicContact CE1-CD1 4.18Å; F428-L513 HydrophobicContact CG-CD2 4.18Å; S430-L513 WeakPolarHBondContact OG-CD2 3.42Å |
| 514 | R | 98.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 3% | 0.034 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -39.2 | 178.4 | -69.5 | -67.2 | -168.5 | -173.7 | -1 | 111.7 | E352 V353 L373 L429 E431 L475 E476 R512 | E352-R514 WeakPolarHBondContact CA-O 3.36Å; V353-R514 PolarHBondContact N-O 2.93Å; L373-R514 HydrophobicContact CD1-CB 4.2Å; L373-R514 HydrophobicContact CD1-CG 4.49Å; L429-R514 PolarHBondContact O-N 3.11Å; E431-R514 HydrophobicContact CB-CG 3.78Å; E431-R514 IonicContact OE2-CZ 3.72Å; E431-R514 VanDerWaalsContact OE2-CZ 3.27Å; E431-R514 IonicContact OE2-NE 2.82Å; E431-R514 PolarHBondContact OE2-NE 3.26Å; E431-R514 IonicContact OE2-NH2 3.62Å; E431-R514 PolarHBondContact OE2-NH2 2.8Å; L475-R514 HydrophobicContact CD1-CG 3.85Å; E476-R514 VanDerWaalsContact CD-NH1 3.29Å; E476-R514 VanDerWaalsContact CD-NH2 3.3Å; E476-R514 IonicContact OE1-CZ 2.7Å; E476-R514 IonicContact OE1-NH1 3.99Å; E476-R514 PolarHBondContact OE1-NH1 3.03Å; E476-R514 IonicContact OE1-NH2 3.66Å; E476-R514 IonicContact OE2-CZ 3.78Å; E476-R514 IonicContact OE2-NH1 3.27Å; E476-R514 IonicContact OE2-NH2 2.94Å; E476-R514 PolarHBondContact OE2-NH2 2.71Å; R512-R514 VanDerWaalsContact CZ-NH1 3.31Å; R512-R514 PolarHBondContact O-N 3.07Å |
| 515 | F | 98.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.3 | 178.5 | -45.9 | -78.9 | 0 | 0 | 0 | 112.8 | L321 I327 I331 V350 W351 E352 L373 F428 L429 I473 L517 | L321-F515 HydrophobicContact CD1-CD1 3.79Å; L321-F515 HydrophobicContact CD1-CE1 3.89Å; I327-F515 HydrophobicContact CG2-CE1 3.68Å; I327-F515 HydrophobicContact CG2-CE2 4.43Å; I327-F515 HydrophobicContact CG2-CZ 3.6Å; I331-F515 HydrophobicContact CD1-CB 4.19Å; I331-F515 HydrophobicContact CD1-CD1 3.88Å; I331-F515 HydrophobicContact CD1-CD2 3.82Å; I331-F515 HydrophobicContact CD1-CE1 4.23Å; I331-F515 HydrophobicContact CD1-CE2 4.17Å; I331-F515 HydrophobicContact CD1-CG 3.67Å; I331-F515 HydrophobicContact CD1-CZ 4.36Å; V350-F515 HydrophobicContact CG1-CB 4.18Å; W351-F515 CarbonylContact O-C 3.6Å; W351-F515 WeakPolarHBondContact O-CA 3.24Å; E352-F515 HydrophobicContact CB-CD1 4.45Å; E352-F515 HydrophobicContact CB-CE1 4.48Å; E352-F515 HydrophobicContact CG-CE1 4.48Å; L373-F515 HydrophobicContact CD1-CD2 4.21Å; L373-F515 HydrophobicContact CD1-CE2 4.14Å; L373-F515 HydrophobicContact CD2-CD2 4.15Å; L373-F515 HydrophobicContact CD2-CE2 4Å; F428-F515 WeakPolarHBondContact CA-O 3.07Å; L429-F515 HydrophobicContact CB-CB 4.15Å; L429-F515 HydrophobicContact CB-CD2 4.05Å; L429-F515 HydrophobicContact CD1-CD2 4.4Å; L429-F515 PolarHBondContact N-O 3Å; L429-F515 PolarHBondContact O-N 2.95Å; I473-F515 HydrophobicContact CD1-CE2 4.5Å; F515-L517 HydrophobicContact CB-CD1 4.33Å |
| 516 | L | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.2 | 167.8 | -179.4 | 157.7 | 0 | 0 | 0 | 107.8 | L183 V350 W351 V353 V383 L387 V426 F428 | L183-L516 HydrophobicContact CD1-CD2 4.32Å; L183-L516 HydrophobicContact CD2-CD1 4.32Å; L183-L516 HydrophobicContact CD2-CD2 3.93Å; V350-L516 CarbonylContact C-O 3.56Å; V350-L516 WeakPolarHBondContact CA-O 3.38Å; W351-L516 HydrophobicContact CD2-CD2 4.47Å; W351-L516 HydrophobicContact CE3-CD2 3.49Å; W351-L516 VanDerWaalsContact CE3-CD2 3.49Å; W351-L516 HydrophobicContact CZ3-CD2 3.7Å; W351-L516 PolarHBondContact N-O 2.76Å; W351-L516 PolarHBondContact O-N 2.95Å; V353-L516 HydrophobicContact CG2-CB 3.64Å; V383-L516 HydrophobicContact CG1-CD1 4.07Å; L387-L516 HydrophobicContact CD1-CD1 4.05Å; L387-L516 HydrophobicContact CD2-CD1 4.01Å; L387-L516 HydrophobicContact CG-CD1 4.37Å; V426-L516 HydrophobicContact CG1-CD1 4.05Å; V426-L516 HydrophobicContact CG1-CD2 4.03Å; V426-L516 HydrophobicContact CG1-CG 3.76Å; F428-L516 HydrophobicContact CD1-CB 4.2Å; F428-L516 HydrophobicContact CD1-CG 4.43Å; F428-L516 HydrophobicContact CE1-CB 4.09Å; F428-L516 HydrophobicContact CE1-CD1 3.69Å; F428-L516 HydrophobicContact CE1-CG 4.02Å; F428-L516 HydrophobicContact CZ-CD1 4.01Å |
| 517 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.6 | 176.8 | -64.6 | 80.8 | 0 | 0 | 0 | 109.2 | I331 M335 I347 V350 W375 V426 M427 L429 F515 I519 | I331-L517 HydrophobicContact CG2-CD2 3.63Å; I331-L517 HydrophobicContact CG2-CG 4.3Å; M335-L517 HydrophobicContact CE-CD2 3.69Å; I347-L517 HydrophobicContact CD1-CD2 4.08Å; I347-L517 HydrophobicContact CG1-CD2 4.39Å; V350-L517 HydrophobicContact CG1-CG 4.26Å; V350-L517 HydrophobicContact CG2-CD2 4.48Å; V350-L517 HydrophobicContact CG2-CG 4.12Å; W375-L517 HydrophobicContact CH2-CD2 3.81Å; W375-L517 HydrophobicContact CZ3-CD1 3.93Å; W375-L517 HydrophobicContact CZ3-CD2 3.68Å; W375-L517 HydrophobicContact CZ3-CG 4.44Å; V426-L517 WeakPolarHBondContact CA-O 3.31Å; M427-L517 PolarHBondContact N-O 3.28Å; M427-L517 PolarHBondContact O-N 3.49Å; L429-L517 HydrophobicContact CB-CD1 4.47Å; L429-L517 HydrophobicContact CD1-CD1 4.01Å; L429-L517 HydrophobicContact CG-CD1 4Å; F515-L517 HydrophobicContact CB-CD1 4.33Å; L517-I519 HydrophobicContact CB-CG2 4.27Å |
| 518 | E | 97.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.075 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.1 | 164.5 | 178.3 | -172.1 | -146.7 | 0 | 0 | 108.4 | L348 N349 W351 T424 | L348-E518 HydrophobicContact CB-CG 4.18Å; L348-E518 HydrophobicContact CD1-CG 4.11Å; L348-E518 PolarHBondContact N-O 2.81Å; N349-E518 HydrophobicContact CB-CB 4.42Å; N349-E518 PolarHBondContact N-O 3.12Å; N349-E518 PolarHBondContact ND2-OE2 3.48Å; N349-E518 PolarHBondContact O-N 3.33Å; W351-E518 HydrophobicContact CH2-CB 3.92Å; W351-E518 WeakPolarHBondContact CH2-OE2 3.42Å; W351-E518 HydrophobicContact CZ3-CB 3.55Å; T424-E518 HydrophobicContact CG2-CG 3.72Å |
| 519 | I | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.3 | -174.3 | 59.9 | 171.6 | 0 | 0 | 0 | 111.7 | M335 P345 K346 L415 T424 G425 M427 L517 M521 | M335-I519 HydrophobicContact CE-CG2 3.76Å; M335-I519 HydrophobicContact SD-CG2 4.47Å; P345-I519 HydrophobicContact CB-CB 4.3Å; P345-I519 HydrophobicContact CB-CD1 4.04Å; K346-I519 CarbonylContact O-C 3.58Å; K346-I519 VanDerWaalsContact O-CA 3.31Å; K346-I519 WeakPolarHBondContact O-CA 3.44Å; L415-I519 HydrophobicContact CD2-CD1 3.71Å; T424-I519 WeakPolarHBondContact CA-O 3.44Å; G425-I519 PolarHBondContact N-O 3.44Å; G425-I519 WeakPolarHBondContact O-CG1 3.27Å; G425-I519 PolarHBondContact O-N 3.01Å; M427-I519 HydrophobicContact CG-CD1 3.83Å; M427-I519 HydrophobicContact SD-CD1 3.71Å; L517-I519 HydrophobicContact CB-CG2 4.27Å; I519-M521 HydrophobicContact CD1-SD 3.57Å; I519-M521 VanDerWaalsContact CD1-SD 3.57Å; I519-M521 HydrophobicContact CG1-SD 4.17Å |
| 520 | E | 94.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 28.1 Ų | 28.1 | 28% | 0.28 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 117.8 | 167 | 178.9 | -177.2 | -102.8 | 0 | 0 | 108.8 | P345 K346 L348 R522 | P345-E520 WeakPolarHBondContact CA-O 3.2Å; K346-E520 HydrophobicContact CB-CB 4.33Å; K346-E520 PolarHBondContact N-O 2.78Å; K346-E520 PolarHBondContact O-N 2.77Å; L348-E520 HydrophobicContact CD1-CB 4.2Å; L348-E520 HydrophobicContact CD2-CB 4.07Å; L348-E520 HydrophobicContact CG-CB 4.16Å; E520-R522 HydrophobicContact CG-CG 4.32Å; E520-R522 IonicContact OE2-CZ 3.97Å; E520-R522 IonicContact OE2-NE 3.9Å; E520-R522 PolarHBondContact OE2-NE 2.78Å; E520-R522 IonicContact OE2-NH2 2.8Å; E520-R522 PolarHBondContact OE2-NH2 2.84Å |
| 521 | M | 87.3 | Confident | 94.1 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 15% | 0.153 | 12% | 0.123 | C | C | . | . | trans | -85.5 | 119.8 | 173.4 | -58.8 | -66.7 | -77.1 | 0 | 0 | 108.1 | P345 L415 V418 P420 N423 I519 | P345-M521 HydrophobicContact CB-SD 4.35Å; L415-M521 HydrophobicContact CD2-CE 4.16Å; L415-M521 HydrophobicContact CD2-SD 3.98Å; V418-M521 HydrophobicContact CB-CE 4.26Å; V418-M521 HydrophobicContact CG1-CE 4.2Å; V418-M521 HydrophobicContact CG1-CG 4.5Å; V418-M521 HydrophobicContact CG1-SD 4.19Å; P420-M521 HydrophobicContact CB-CB 4.41Å; P420-M521 HydrophobicContact CB-CG 3.91Å; P420-M521 HydrophobicContact CG-CB 4.28Å; P420-M521 HydrophobicContact CG-CG 4.04Å; N423-M521 WeakPolarHBondContact CB-O 3.23Å; N423-M521 PolarHBondContact O-N 3.16Å; I519-M521 HydrophobicContact CD1-SD 3.57Å; I519-M521 VanDerWaalsContact CD1-SD 3.57Å; I519-M521 HydrophobicContact CG1-SD 4.17Å | ||
| 522 | R | 67.7 | Low | 93.9 | Very high | 227 Ų | 227 | 32.6 Ų | 32.6 | 86% | 0.857 | 13% | 0.133 | S | C | * | . | trans | -107.8 | 0 | 179.6 | -72.4 | -173.8 | -178.4 | -162.7 | -6.4 | 112.4 | E520 | E520-R522 HydrophobicContact CG-CG 4.32Å; E520-R522 IonicContact OE2-CZ 3.97Å; E520-R522 IonicContact OE2-NE 3.9Å; E520-R522 PolarHBondContact OE2-NE 2.78Å; E520-R522 IonicContact OE2-NH2 2.8Å; E520-R522 PolarHBondContact OE2-NH2 2.84Å |
Retrieved 522 of 522 residues in 298.5 ms
(Link to these results)