| 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 | 42.5 | Very low | 76.8 | Confident | 223 Ų | 223 | 99.7 Ų | 99.7 | 100% | 1.099 | 53% | 0.53 | S | S | * | . | 0 | 122.1 | 0 | -83.1 | 175.9 | 164.3 | 0 | 0 | 109.2 | |||||
| 2 | H | 59.5 | Low | 78 | Confident | 154 Ų | 154 | 93.3 Ų | 93.3 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | trans | -95.5 | 109.2 | 169.2 | -63.9 | -63.2 | 0 | 0 | 0 | 107.5 | ||||
| 3 | S | 65.6 | Low | 79.2 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 74% | 0.741 | 51% | 0.505 | S | S | * | . | trans | -82.3 | 151 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | F | 67.9 | Low | 79.9 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 25% | 0.25 | 48% | 0.476 | C | S | . | . | trans | -109.6 | 133.9 | 173.6 | -57.8 | -75.8 | 0 | 0 | 0 | 108.6 | R113 L114 R117 M280 | F4-R113 HydrophobicContact CE2-CB 3.93Å; F4-R113 HydrophobicContact CZ-CB 3.62Å; F4-L114 HydrophobicContact CD1-CD1 3.31Å; F4-L114 HydrophobicContact CE1-CB 3.86Å; F4-L114 HydrophobicContact CE1-CD1 3.27Å; F4-L114 HydrophobicContact CE1-CG 4.15Å; F4-L114 HydrophobicContact CG-CD1 4.4Å; F4-L114 HydrophobicContact CZ-CB 4.3Å; F4-L114 HydrophobicContact CZ-CD1 4.33Å; F4-R117 VanDerWaalsContact CD2-NH1 3.34Å; F4-M280 HydrophobicContact CB-CE 3.94Å | ||
| 5 | T | 77.5 | Confident | 80.5 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 80% | 0.798 | 44% | 0.444 | S | S | * | . | trans | -121.3 | 136 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 6 | L | 82.1 | Confident | 81.2 | Confident | 49 Ų | 49 | 82.9 Ų | 82.9 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | trans | -86.4 | 124.4 | 169.7 | -176.9 | 64.8 | 0 | 0 | 0 | 107.6 | E8 L11 F276 R277 M280 | L6-E8 PolarHBondContact O-N 3.35Å; L6-L11 HydrophobicContact CD1-CD2 3.92Å; L6-L11 HydrophobicContact CD2-CD2 4.39Å; L6-F276 HydrophobicContact CD1-CD1 4.47Å; L6-F276 HydrophobicContact CD2-CB 4.15Å; L6-R277 HydrophobicContact CD2-CG 4.46Å; L6-M280 HydrophobicContact CB-CE 4.34Å; L6-M280 HydrophobicContact CB-CG 4.17Å; L6-M280 HydrophobicContact CD2-CG 4.3Å | ||
| 7 | N | 88 | Confident | 81.7 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 57% | 0.572 | 44% | 0.44 | S | S | * | . | trans | -77.6 | 81.4 | 166.7 | -171.4 | -18.8 | 0 | 0 | 0 | 108.6 | H9 A10 L11 | N7-H9 VanDerWaalsContact C-N 3.29Å; N7-H9 PolarHBondContact O-N 3.21Å; N7-A10 HydrophobicContact CB-CB 4.29Å; N7-A10 PolarHBondContact O-N 3.01Å; N7-A10 PolarHBondContact OD1-N 2.99Å; N7-A10 VanDerWaalsContact OD1-N 3.11Å; N7-L11 WeakPolarHBondContact O-CB 3.42Å; N7-L11 PolarHBondContact O-N 3.07Å | ||
| 8 | E | 89 | Confident | 82.2 | Confident | 84 Ų | 84 | 85.7 Ų | 85.7 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | -174.8 | -171.3 | 176.6 | 150.5 | 0 | 0 | 112.3 | L6 L11 S12 R277 | L6-E8 PolarHBondContact O-N 3.35Å; E8-L11 PolarHBondContact O-N 3.36Å; E8-S12 WeakPolarHBondContact O-CB 3.33Å; E8-S12 PolarHBondContact O-N 3.11Å; E8-S12 PolarHBondContact O-OG 3.37Å; E8-R277 VanDerWaalsContact CD-NE 3.27Å; E8-R277 IonicContact OE1-CZ 2.83Å; E8-R277 IonicContact OE1-NE 3.85Å; E8-R277 PolarHBondContact OE1-NE 3.23Å; E8-R277 IonicContact OE1-NH2 2.7Å; E8-R277 PolarHBondContact OE1-NH2 3.4Å; E8-R277 IonicContact OE2-NE 3.66Å |
| 9 | H | 93.2 | Very high | 82.4 | Confident | 132 Ų | 132 | 83.8 Ų | 83.8 | 61% | 0.611 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.4 | -56.1 | 176.5 | -175.7 | -81.1 | 0 | 0 | 0 | 111 | N7 L11 S12 E13 | N7-H9 VanDerWaalsContact C-N 3.29Å; N7-H9 PolarHBondContact O-N 3.21Å; H9-L11 VanDerWaalsContact C-N 3.28Å; H9-L11 PolarHBondContact O-N 2.9Å; H9-S12 PolarHBondContact O-N 3.19Å; H9-S12 VanDerWaalsContact O-N 3.15Å; H9-E13 IonicContact CE1-OE1 3.33Å; H9-E13 PolarHBondContact CE1-OE1 2.92Å; H9-E13 IonicContact CE1-OE2 2.72Å; H9-E13 IonicContact ND1-OE1 2.8Å; H9-E13 IonicContact ND1-OE2 2.84Å; H9-E13 WeakPolarHBondContact O-CG 3.34Å; H9-E13 PolarHBondContact O-N 3.33Å |
| 10 | A | 90.8 | Very high | 82.7 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 31% | 0.306 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N7 V14 | N7-A10 HydrophobicContact CB-CB 4.29Å; N7-A10 PolarHBondContact O-N 3.01Å; N7-A10 PolarHBondContact OD1-N 2.99Å; N7-A10 VanDerWaalsContact OD1-N 3.11Å; A10-V14 WeakPolarHBondContact O-CG2 3.5Å; A10-V14 PolarHBondContact O-N 3.44Å |
| 11 | L | 88.2 | Confident | 83 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 176.8 | -171.1 | 62.4 | 0 | 0 | 0 | 111.9 | L6 N7 E8 H9 V14 L15 L85 L273 F276 | L6-L11 HydrophobicContact CD1-CD2 3.92Å; L6-L11 HydrophobicContact CD2-CD2 4.39Å; N7-L11 WeakPolarHBondContact O-CB 3.42Å; N7-L11 PolarHBondContact O-N 3.07Å; E8-L11 PolarHBondContact O-N 3.36Å; H9-L11 VanDerWaalsContact C-N 3.28Å; H9-L11 PolarHBondContact O-N 2.9Å; L11-V14 PolarHBondContact O-N 3.32Å; L11-L15 HydrophobicContact CD1-CD1 3.67Å; L11-L15 HydrophobicContact CD1-CG 3.86Å; L11-L15 HydrophobicContact CD2-CD1 4.16Å; L11-L15 HydrophobicContact CG-CD1 3.7Å; L11-L15 HydrophobicContact CG-CG 4.12Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 PolarHBondContact O-N 3.33Å; L11-L85 HydrophobicContact CD1-CD1 3.71Å; L11-L273 HydrophobicContact CB-CD1 4.24Å; L11-L273 HydrophobicContact CD2-CD1 3.62Å; L11-L273 HydrophobicContact CG-CD1 3.81Å; L11-F276 HydrophobicContact CD2-CB 3.85Å; L11-F276 HydrophobicContact CD2-CD1 4.33Å; L11-F276 HydrophobicContact CD2-CD2 3.79Å; L11-F276 HydrophobicContact CD2-CE2 4.43Å; L11-F276 HydrophobicContact CD2-CG 3.74Å |
| 12 | S | 92.2 | Very high | 85.3 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | E8 H9 V14 L15 L16 L273 | E8-S12 WeakPolarHBondContact O-CB 3.33Å; E8-S12 PolarHBondContact O-N 3.11Å; E8-S12 PolarHBondContact O-OG 3.37Å; H9-S12 PolarHBondContact O-N 3.19Å; H9-S12 VanDerWaalsContact O-N 3.15Å; S12-V14 PolarHBondContact O-N 2.9Å; S12-L15 PolarHBondContact O-N 3.4Å; S12-L16 WeakPolarHBondContact O-CA 3.34Å; S12-L16 WeakPolarHBondContact O-CB 3.08Å; S12-L16 PolarHBondContact O-N 2.99Å; S12-L273 WeakPolarHBondContact OG-CD2 3.23Å |
| 13 | E | 92.7 | Very high | 86.6 | Confident | 121 Ų | 121 | 66.7 Ų | 66.7 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -55.2 | -37.4 | 175 | -75 | -179.8 | 139.6 | 0 | 0 | 112 | H9 | H9-E13 IonicContact CE1-OE1 3.33Å; H9-E13 PolarHBondContact CE1-OE1 2.92Å; H9-E13 IonicContact CE1-OE2 2.72Å; H9-E13 IonicContact ND1-OE1 2.8Å; H9-E13 IonicContact ND1-OE2 2.84Å; H9-E13 WeakPolarHBondContact O-CG 3.34Å; H9-E13 PolarHBondContact O-N 3.33Å |
| 14 | V | 89 | Confident | 87.6 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -83 | -50.1 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | A10 L11 S12 V20 L85 S87 P89 | A10-V14 WeakPolarHBondContact O-CG2 3.5Å; A10-V14 PolarHBondContact O-N 3.44Å; L11-V14 PolarHBondContact O-N 3.32Å; S12-V14 PolarHBondContact O-N 2.9Å; V14-V20 VanDerWaalsContact O-CG2 3.27Å; V14-V20 WeakPolarHBondContact O-CG2 3.11Å; V14-L85 HydrophobicContact CB-CD2 4.06Å; V14-L85 HydrophobicContact CG1-CD2 3.46Å; V14-L85 VanDerWaalsContact CG1-CD2 3.46Å; V14-L85 HydrophobicContact CG2-CD2 4.18Å; V14-S87 WeakPolarHBondContact CG2-O 3.38Å; V14-P89 HydrophobicContact CG1-CG 3.45Å; V14-P89 VanDerWaalsContact CG1-CG 3.45Å |
| 15 | L | 88.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -80.3 | -25.7 | -172.3 | -65.2 | -172.7 | 0 | 0 | 0 | 114 | L11 S12 A21 L85 I101 C269 L272 L273 F276 | L11-L15 HydrophobicContact CD1-CD1 3.67Å; L11-L15 HydrophobicContact CD1-CG 3.86Å; L11-L15 HydrophobicContact CD2-CD1 4.16Å; L11-L15 HydrophobicContact CG-CD1 3.7Å; L11-L15 HydrophobicContact CG-CG 4.12Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 PolarHBondContact O-N 3.33Å; S12-L15 PolarHBondContact O-N 3.4Å; L15-A21 WeakPolarHBondContact O-CA 3.48Å; L15-L85 HydrophobicContact CD2-CD1 4.5Å; L15-I101 HydrophobicContact CD2-CD1 3.34Å; L15-C269 HydrophobicContact CB-CB 4.37Å; L15-C269 HydrophobicContact CD2-CB 4.28Å; L15-C269 VanDerWaalsContact O-CB 3.28Å; L15-C269 WeakPolarHBondContact O-CB 3.39Å; L15-L272 HydrophobicContact CD1-CB 4.46Å; L15-L272 HydrophobicContact CD1-CD2 4.19Å; L15-L272 HydrophobicContact CD1-CG 4.26Å; L15-L272 HydrophobicContact CD2-CD2 4.21Å; L15-L273 HydrophobicContact CD1-CB 3.97Å; L15-F276 HydrophobicContact CD1-CD2 4.44Å |
| 16 | L | 92.4 | Very high | 88.5 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.6 | 179 | -54.7 | -178.2 | 0 | 0 | 0 | 112.9 | S12 R270 L273 | S12-L16 WeakPolarHBondContact O-CA 3.34Å; S12-L16 WeakPolarHBondContact O-CB 3.08Å; S12-L16 PolarHBondContact O-N 2.99Å; L16-R270 HydrophobicContact CD2-CB 3.99Å; L16-R270 HydrophobicContact CD2-CG 3.8Å; L16-L273 HydrophobicContact CD1-CD2 3.77Å; L16-L273 HydrophobicContact CD2-CD2 4.03Å; L16-L273 HydrophobicContact CG-CD2 3.87Å |
| 17 | H | 90.3 | Very high | 88.4 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | trans | -56.2 | 132.3 | 175 | -170.9 | -87.9 | 0 | 0 | 0 | 110 | S19 V20 A21 | H17-S19 PolarHBondContact CE1-OG 3.09Å; H17-S19 VanDerWaalsContact CE1-OG 3.32Å; H17-S19 WeakPolarHBondContact ND1-CB 3.38Å; H17-S19 PolarHBondContact ND1-N 3.49Å; H17-S19 PolarHBondContact ND1-OG 3.49Å; H17-S19 PolarHBondContact O-N 3.3Å; H17-V20 HydrophobicContact CB-CG2 4.16Å; H17-V20 PolarHBondContact O-N 3.47Å; H17-A21 PolarHBondContact O-N 3.43Å | ||
| 18 | P | 90.1 | Very high | 87.9 | Confident | 119 Ų | 119 | 46.4 Ų | 46.4 | 77% | 0.773 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.4 | -173.4 | -28.4 | 34.7 | 0 | 0 | 0 | 114.3 | V20 | P18-V20 VanDerWaalsContact C-N 3.29Å; P18-V20 PolarHBondContact O-N 3.01Å |
| 19 | S | 86.2 | Confident | 87.5 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 34% | 0.343 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | H17 K23 F99 | H17-S19 PolarHBondContact CE1-OG 3.09Å; H17-S19 VanDerWaalsContact CE1-OG 3.32Å; H17-S19 WeakPolarHBondContact ND1-CB 3.38Å; H17-S19 PolarHBondContact ND1-N 3.49Å; H17-S19 PolarHBondContact ND1-OG 3.49Å; H17-S19 PolarHBondContact O-N 3.3Å; S19-K23 VanDerWaalsContact O-CD 3.32Å; S19-K23 WeakPolarHBondContact O-CD 3.43Å; S19-K23 PolarHBondContact O-NZ 3.05Å; S19-F99 WeakPolarHBondContact O-CE1 3.49Å; S19-F99 WeakPolarHBondContact O-CZ 3.35Å |
| 20 | V | 88.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -23.8 | -173 | -40.9 | 0 | 0 | 0 | 0 | 114.5 | V14 H17 P18 D22 K23 P89 F99 C269 | V14-V20 VanDerWaalsContact O-CG2 3.27Å; V14-V20 WeakPolarHBondContact O-CG2 3.11Å; H17-V20 HydrophobicContact CB-CG2 4.16Å; H17-V20 PolarHBondContact O-N 3.47Å; P18-V20 VanDerWaalsContact C-N 3.29Å; P18-V20 PolarHBondContact O-N 3.01Å; V20-D22 VanDerWaalsContact C-N 3.35Å; V20-D22 PolarHBondContact O-N 2.95Å; V20-K23 PolarHBondContact O-N 3.4Å; V20-K23 VanDerWaalsContact O-N 3.09Å; V20-P89 HydrophobicContact CG1-CB 4.19Å; V20-P89 HydrophobicContact CG1-CG 4.28Å; V20-P89 HydrophobicContact CG2-CG 4.49Å; V20-F99 HydrophobicContact CB-CD1 3.87Å; V20-F99 HydrophobicContact CB-CE1 3.82Å; V20-F99 HydrophobicContact CG1-CD1 3.83Å; V20-F99 HydrophobicContact CG1-CE1 3.61Å; V20-C269 HydrophobicContact CG2-CB 4.32Å; V20-C269 PolarHBondContact O-SG 3.45Å; V20-C269 VanDerWaalsContact O-SG 3.41Å |
| 21 | A | 89.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -45.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L15 H17 C269 R270 | L15-A21 WeakPolarHBondContact O-CA 3.48Å; H17-A21 PolarHBondContact O-N 3.43Å; A21-C269 PolarHBondContact O-N 3.24Å; A21-R270 PolarHBondContact O-N 3.41Å |
| 22 | D | 90.1 | Very high | 85.3 | Confident | 105 Ų | 105 | 33.7 Ų | 33.7 | 56% | 0.561 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11 | -174.5 | -64.8 | -60.1 | 0 | 0 | 0 | 113.9 | V20 R270 | V20-D22 VanDerWaalsContact C-N 3.35Å; V20-D22 PolarHBondContact O-N 2.95Å; D22-R270 IonicContact OD1-CZ 3.55Å; D22-R270 IonicContact OD1-NH1 3.39Å; D22-R270 PolarHBondContact OD1-NH1 3.46Å; D22-R270 IonicContact OD1-NH2 2.83Å; D22-R270 PolarHBondContact OD1-NH2 3.2Å; D22-R270 IonicContact OD2-CZ 4Å; D22-R270 IonicContact OD2-NH2 3.37Å; D22-R270 PolarHBondContact OD2-NH2 3Å; D22-R270 VanDerWaalsContact OD2-NH2 3.11Å |
| 23 | K | 87.3 | Confident | 84.4 | Confident | 75 Ų | 75 | 33.7 Ų | 33.7 | 33% | 0.326 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -105.4 | 150 | -177 | -70.9 | 131.9 | 135.2 | 179.9 | 0 | 112.5 | S19 V20 F99 C268 C269 | S19-K23 VanDerWaalsContact O-CD 3.32Å; S19-K23 WeakPolarHBondContact O-CD 3.43Å; S19-K23 PolarHBondContact O-NZ 3.05Å; V20-K23 PolarHBondContact O-N 3.4Å; V20-K23 VanDerWaalsContact O-N 3.09Å; K23-F99 HydrophobicContact CB-CD2 3.12Å; K23-F99 HydrophobicContact CB-CE2 3.08Å; K23-F99 HydrophobicContact CB-CG 4.11Å; K23-F99 HydrophobicContact CB-CZ 3.92Å; K23-F99 HydrophobicContact CD-CD2 4.08Å; K23-F99 HydrophobicContact CD-CE1 4.04Å; K23-F99 HydrophobicContact CD-CE2 3.13Å; K23-F99 HydrophobicContact CD-CZ 3.12Å; K23-F99 HydrophobicContact CG-CD2 3.86Å; K23-F99 HydrophobicContact CG-CE2 3.22Å; K23-F99 HydrophobicContact CG-CZ 3.82Å; K23-C268 WeakPolarHBondContact O-CA 2.98Å; K23-C268 WeakPolarHBondContact O-CB 3.5Å; K23-C269 PolarHBondContact O-N 3.23Å |
| 24 | S | 86.6 | Confident | 83.4 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 140.9 | -179.1 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | R97 F99 E266 | S24-R97 WeakPolarHBondContact CB-O 3.4Å; S24-R97 PolarHBondContact N-O 2.94Å; S24-R97 VanDerWaalsContact N-O 3.11Å; S24-F99 PolarHBondContact O-N 3.44Å; S24-E266 PolarHBondContact OG-OE2 3.19Å |
| 25 | V | 82.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.3 | -171.6 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | I27 I101 K260 I267 L272 | V25-I27 HydrophobicContact CG1-CD1 4.45Å; V25-I27 HydrophobicContact CG2-CD1 4.48Å; V25-I27 HydrophobicContact CG2-CG1 3.93Å; V25-I101 HydrophobicContact CG2-CB 4.27Å; V25-I101 HydrophobicContact CG2-CD1 3.3Å; V25-I101 HydrophobicContact CG2-CG1 3.57Å; V25-K260 HydrophobicContact CG1-CB 4.02Å; V25-K260 WeakPolarHBondContact O-CB 3.46Å; V25-K260 PolarHBondContact O-N 2.98Å; V25-I267 HydrophobicContact CG1-CD1 4.28Å; V25-I267 HydrophobicContact CG1-CG1 3.83Å; V25-I267 PolarHBondContact N-O 3.28Å; V25-L272 HydrophobicContact CG1-CD2 4.14Å; V25-L272 HydrophobicContact CG2-CD2 4.05Å |
| 26 | S | 81.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.9 | 165.4 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | F99 I101 V258 | S26-F99 WeakPolarHBondContact CA-O 3.3Å; S26-F99 VanDerWaalsContact CB-O 3.26Å; S26-F99 WeakPolarHBondContact CB-O 3.38Å; S26-F99 PolarHBondContact N-O 3.38Å; S26-I101 PolarHBondContact O-N 2.91Å; S26-V258 PolarHBondContact OG-O 2.83Å |
| 27 | I | 78.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117 | -173.6 | -62.5 | 175.5 | 0 | 0 | 0 | 108.8 | V25 I101 L103 F121 L122 R124 K260 L272 | V25-I27 HydrophobicContact CG1-CD1 4.45Å; V25-I27 HydrophobicContact CG2-CD1 4.48Å; V25-I27 HydrophobicContact CG2-CG1 3.93Å; I27-I101 WeakPolarHBondContact CA-O 3.3Å; I27-I101 HydrophobicContact CG1-CB 4.48Å; I27-L103 HydrophobicContact CG2-CB 4.34Å; I27-L103 HydrophobicContact CG2-CD1 3.19Å; I27-L103 HydrophobicContact CG2-CG 3.68Å; I27-F121 WeakPolarHBondContact CD1-O 3.37Å; I27-L122 HydrophobicContact CG2-CD2 3.57Å; I27-R124 PolarHBondContact O-N 2.96Å; I27-K260 HydrophobicContact CD1-CG 4.49Å; I27-L272 HydrophobicContact CD1-CD1 3.75Å; I27-L272 HydrophobicContact CD1-CD2 3.68Å; I27-L272 HydrophobicContact CD1-CG 4.39Å; I27-L272 HydrophobicContact CG1-CD2 4.46Å |
| 28 | V | 79.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.9 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | F45 I101 L103 I126 I251 L252 L257 | V28-F45 HydrophobicContact CG1-CD2 4.34Å; V28-F45 HydrophobicContact CG1-CE2 4.01Å; V28-I101 PolarHBondContact N-O 2.86Å; V28-I101 VanDerWaalsContact N-O 3.07Å; V28-L103 PolarHBondContact O-N 3.41Å; V28-I126 HydrophobicContact CG1-CD1 3.97Å; V28-I251 HydrophobicContact CG1-CG2 3.91Å; V28-L252 HydrophobicContact CB-CD2 4.27Å; V28-L252 HydrophobicContact CG1-CD2 4.15Å; V28-L252 HydrophobicContact CG2-CD2 3.83Å; V28-L257 HydrophobicContact CG2-CD2 4.32Å |
| 29 | S | 79 | Confident | 81 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140.6 | 180 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | L103 L122 R124 I126 | S29-L103 WeakPolarHBondContact CA-O 3.4Å; S29-L122 WeakPolarHBondContact OG-CD1 3.47Å; S29-R124 PolarHBondContact N-O 2.88Å; S29-I126 WeakPolarHBondContact O-CB 3.33Å; S29-I126 PolarHBondContact O-N 2.92Å |
| 30 | V | 79 | Confident | 81.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.3 | 173 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | K38 L42 F45 I126 N128 | V30-K38 HydrophobicContact CG1-CB 4.03Å; V30-K38 HydrophobicContact CG1-CD 4.4Å; V30-K38 HydrophobicContact CG1-CG 4.04Å; V30-L42 HydrophobicContact CB-CD1 4.45Å; V30-L42 HydrophobicContact CB-CD2 4.08Å; V30-L42 HydrophobicContact CB-CG 4.15Å; V30-L42 HydrophobicContact CG2-CD2 3.58Å; V30-L42 HydrophobicContact CG2-CG 3.98Å; V30-F45 HydrophobicContact CG2-CD2 4.5Å; V30-F45 HydrophobicContact CG2-CE2 3.78Å; V30-F45 HydrophobicContact CG2-CZ 4.36Å; V30-I126 WeakPolarHBondContact CA-O 3.1Å; V30-I126 HydrophobicContact CG1-CG2 4.4Å; V30-I126 HydrophobicContact CG2-CB 4.08Å; V30-I126 HydrophobicContact CG2-CD1 4.02Å; V30-I126 HydrophobicContact CG2-CG2 4.35Å; V30-N128 HydrophobicContact CG1-CB 3.9Å |
| 31 | A | 76 | Confident | 81.1 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 170.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C107 Y125 I126 N128 | A31-C107 HydrophobicContact CB-CB 4.35Å; A31-Y125 HydrophobicContact CB-CD2 4.38Å; A31-Y125 HydrophobicContact CB-CE2 3.32Å; A31-Y125 VanDerWaalsContact CB-OH 3.25Å; A31-Y125 WeakPolarHBondContact CB-OH 3.41Å; A31-I126 PolarHBondContact N-O 2.99Å; A31-N128 WeakPolarHBondContact O-CB 3.43Å; A31-N128 PolarHBondContact O-N 3.08Å |
| 32 | G | 72.6 | Confident | 81 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | 135.4 | -174 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112 | K38 | G32-K38 PolarHBondContact O-NZ 3.49Š| ||
| 33 | A | 72.1 | Confident | 81 | Confident | 22 Ų | 22 | 25.2 Ų | 25.2 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -56.6 | 153 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R36 K38 L109 | A33-R36 HydrophobicContact CB-CG 3.83Å; A33-K38 PolarHBondContact O-NZ 2.85Å; A33-L109 HydrophobicContact CB-CD1 3.44Å; A33-L109 VanDerWaalsContact CB-CD1 3.44Å |
| 34 | F | 72.3 | Confident | 81.2 | Confident | 109 Ų | 109 | 21.6 Ų | 21.6 | 48% | 0.478 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 150.8 | 175.8 | 69.6 | -86.5 | 0 | 0 | 0 | 110.5 | R36 | F34-R36 PolarHBondContact O-N 3.5Å; F34-R36 VanDerWaalsContact O-N 3.14Å |
| 35 | R | 75.6 | Confident | 81.4 | Confident | 74 Ų | 74 | 20.8 Ų | 20.8 | 28% | 0.279 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 25.2 | 177.2 | -63.2 | -62.8 | -168 | 169.1 | 22.8 | 116.5 | R73 G74 G75 E77 | R35-R73 PolarHBondContact NH1-O 3.03Å; R35-G74 VanDerWaalsContact CZ-O 3.28Å; R35-G74 PolarHBondContact NH1-O 3.46Å; R35-G74 VanDerWaalsContact NH1-O 3.11Å; R35-G74 PolarHBondContact NH2-O 3.27Å; R35-G75 VanDerWaalsContact CD-O 3.23Å; R35-G75 WeakPolarHBondContact CD-O 3.33Å; R35-G75 PolarHBondContact NE-O 3.36Å; R35-G75 PolarHBondContact NH2-O 3.5Å; R35-E77 PolarHBondContact NE-O 3.33Å; R35-E77 PolarHBondContact NH2-O 3.3Å |
| 36 | R | 78.1 | Confident | 81.7 | Confident | 120 Ų | 120 | 20.9 Ų | 20.9 | 45% | 0.453 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -100.3 | 23.4 | 172.8 | -56.1 | -53.7 | -167.2 | 162.7 | -4.1 | 114.7 | A33 F34 K38 N128 S130 | A33-R36 HydrophobicContact CB-CG 3.83Å; F34-R36 PolarHBondContact O-N 3.5Å; F34-R36 VanDerWaalsContact O-N 3.14Å; R36-K38 PolarHBondContact O-N 2.9Å; R36-N128 WeakPolarHBondContact CB-ND2 3.48Å; R36-N128 PolarHBondContact O-ND2 3.26Å; R36-S130 VanDerWaalsContact CZ-CB 3.45Å; R36-S130 PolarHBondContact NH1-OG 2.92Å |
| 37 | G | 80.8 | Confident | 82.1 | Confident | 34 Ų | 34 | 21.8 Ų | 21.8 | 35% | 0.351 | 11% | 0.107 | S | C | . | . | S | Bend | trans | 77.2 | 17.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | S39 F40 M41 | G37-S39 PolarHBondContact O-N 3.49Å; G37-F40 WeakPolarHBondContact O-CB 3.43Å; G37-F40 PolarHBondContact O-N 3.26Å; G37-M41 PolarHBondContact O-N 2.98Å |
| 38 | K | 82.2 | Confident | 82.7 | Confident | 28 Ų | 28 | 22.1 Ų | 22.1 | 12% | 0.122 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.8 | -51 | -179.8 | -59.6 | -170 | -65.1 | -83.3 | 0 | 114 | V30 G32 A33 R36 F40 M41 L42 N128 | V30-K38 HydrophobicContact CG1-CB 4.03Å; V30-K38 HydrophobicContact CG1-CD 4.4Å; V30-K38 HydrophobicContact CG1-CG 4.04Å; G32-K38 PolarHBondContact O-NZ 3.49Å; A33-K38 PolarHBondContact O-NZ 2.85Å; R36-K38 PolarHBondContact O-N 2.9Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 3.36Å; K38-M41 PolarHBondContact O-N 2.95Å; K38-L42 WeakPolarHBondContact O-CG 3.38Å; K38-L42 PolarHBondContact O-N 3.38Å; K38-N128 HydrophobicContact CG-CB 4.26Å |
| 39 | S | 83.5 | Confident | 83.1 | Confident | 16 Ų | 16 | 22 Ų | 22 | 11% | 0.112 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 177.3 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | G37 L42 N43 S71 K104 | G37-S39 PolarHBondContact O-N 3.49Å; S39-L42 PolarHBondContact O-N 3.27Å; S39-N43 VanDerWaalsContact O-CG 3.28Å; S39-N43 PolarHBondContact O-N 3.22Å; S39-N43 PolarHBondContact O-OD1 2.94Å; S39-S71 VanDerWaalsContact CB-O 3.29Å; S39-S71 WeakPolarHBondContact CB-O 3.39Å; S39-S71 PolarHBondContact OG-O 3.38Å; S39-S71 VanDerWaalsContact OG-O 3.07Å; S39-K104 WeakPolarHBondContact OG-CE 3.47Å; S39-K104 PolarHBondContact OG-NZ 3.37Å |
| 40 | F | 88.2 | Confident | 83.5 | Confident | 16 Ų | 16 | 25.8 Ų | 25.8 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 176.8 | 179.5 | -106.9 | 0 | 0 | 0 | 110.6 | G37 K38 L42 N43 F44 L67 W72 P219 V223 F229 I236 F240 | G37-F40 WeakPolarHBondContact O-CB 3.43Å; G37-F40 PolarHBondContact O-N 3.26Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 3.36Å; F40-L42 PolarHBondContact O-N 3.08Å; F40-N43 PolarHBondContact O-N 3.37Å; F40-F44 AromaticContact CD1-CE2 3.95Å; F40-F44 HydrophobicContact CD1-CE2 3.95Å; F40-F44 HydrophobicContact CD2-CE2 4.4Å; F40-F44 HydrophobicContact CE1-CD2 4.49Å; F40-F44 AromaticContact CE1-CE2 3.54Å; F40-F44 HydrophobicContact CE1-CE2 3.54Å; F40-F44 HydrophobicContact CE1-CZ 4.33Å; F40-F44 AromaticContact CE2-CE2 3.99Å; F40-F44 HydrophobicContact CE2-CE2 3.99Å; F40-F44 HydrophobicContact CE2-CZ 4.34Å; F40-F44 HydrophobicContact CG-CE2 4.38Å; F40-F44 AromaticContact CZ-CE2 3.56Å; F40-F44 HydrophobicContact CZ-CE2 3.56Å; F40-F44 AromaticContact CZ-CZ 3.94Å; F40-F44 HydrophobicContact CZ-CZ 3.94Å; F40-F44 WeakPolarHBondContact O-CD2 3.42Å; F40-F44 PolarHBondContact O-N 3.47Å; F40-L67 HydrophobicContact CD2-CD2 3.46Å; F40-L67 VanDerWaalsContact CD2-CD2 3.46Å; F40-L67 HydrophobicContact CE2-CD2 3.56Å; F40-L67 HydrophobicContact CG-CD2 4.23Å; F40-L67 HydrophobicContact CZ-CD2 4.43Å; F40-W72 HydrophobicContact CD2-CD2 4.15Å; F40-W72 HydrophobicContact CD2-CE3 4.01Å; F40-W72 HydrophobicContact CD2-CH2 4.24Å; F40-W72 HydrophobicContact CD2-CZ2 4.31Å; F40-W72 HydrophobicContact CD2-CZ3 4.06Å; F40-W72 HydrophobicContact CE2-CH2 4.35Å; F40-W72 HydrophobicContact CE2-CZ3 4.45Å; F40-P219 HydrophobicContact CE1-CB 4.37Å; F40-V223 HydrophobicContact CE1-CG1 4.21Å; F40-V223 HydrophobicContact CE2-CG1 4.32Å; F40-V223 HydrophobicContact CZ-CG1 3.84Å; F40-F229 HydrophobicContact CD2-CE1 4.48Å; F40-F229 AromaticContact CE2-CE1 3.72Å; F40-F229 HydrophobicContact CE2-CE1 3.72Å; F40-F229 AromaticContact CE2-CZ 3.86Å; F40-F229 HydrophobicContact CE2-CZ 3.86Å; F40-F229 HydrophobicContact CZ-CE1 4.31Å; F40-F229 HydrophobicContact CZ-CZ 4.26Å; F40-I236 HydrophobicContact CE2-CD1 4.41Å; F40-I236 HydrophobicContact CZ-CD1 3.89Å; F40-F240 AromaticContact CE1-CE1 3.92Å; F40-F240 HydrophobicContact CE1-CE1 3.92Å; F40-F240 AromaticContact CE1-CZ 3.96Å; F40-F240 HydrophobicContact CE1-CZ 3.96Å |
| 41 | M | 88 | Confident | 83.9 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.5 | -172.3 | 57.9 | 56.5 | 0 | 0 | 112.7 | G37 K38 N43 F44 F45 L164 M216 F240 L244 F247 | G37-M41 PolarHBondContact O-N 2.98Å; K38-M41 PolarHBondContact O-N 2.95Å; M41-N43 PolarHBondContact O-N 2.77Å; M41-F44 WeakPolarHBondContact O-CB 3.4Å; M41-F44 PolarHBondContact O-N 2.91Å; M41-F44 VanDerWaalsContact O-N 3.1Å; M41-F45 HydrophobicContact CG-CE1 3.86Å; M41-F45 HydrophobicContact CG-CZ 4.04Å; M41-F45 WeakPolarHBondContact O-CD1 3.3Å; M41-F45 PolarHBondContact O-N 3.05Å; M41-F45 VanDerWaalsContact O-N 3.16Å; M41-F45 HydrophobicContact SD-CE1 3.86Å; M41-F45 HydrophobicContact SD-CZ 4.49Å; M41-L164 HydrophobicContact CE-CD2 4.03Å; M41-L164 HydrophobicContact CG-CD2 4.12Å; M41-L164 HydrophobicContact SD-CD2 4.38Å; M41-M216 HydrophobicContact CE-CE 4.18Å; M41-F240 HydrophobicContact CE-CZ 4.15Å; M41-L244 HydrophobicContact CE-CD2 3.86Å; M41-L244 HydrophobicContact SD-CD2 3.72Å; M41-F247 HydrophobicContact CG-CE1 4.38Å; M41-F247 HydrophobicContact SD-CD1 4.03Å; M41-F247 HydrophobicContact SD-CE1 3.84Å |
| 42 | L | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -29.8 | 178 | -73.1 | 167.9 | 0 | 0 | 0 | 113 | V30 K38 S39 F40 F44 F45 L46 F70 V102 K104 | V30-L42 HydrophobicContact CB-CD1 4.45Å; V30-L42 HydrophobicContact CB-CD2 4.08Å; V30-L42 HydrophobicContact CB-CG 4.15Å; V30-L42 HydrophobicContact CG2-CD2 3.58Å; V30-L42 HydrophobicContact CG2-CG 3.98Å; K38-L42 WeakPolarHBondContact O-CG 3.38Å; K38-L42 PolarHBondContact O-N 3.38Å; S39-L42 PolarHBondContact O-N 3.27Å; F40-L42 PolarHBondContact O-N 3.08Å; L42-F44 VanDerWaalsContact C-N 3.35Å; L42-F45 HydrophobicContact CD2-CD2 4.03Å; L42-F45 VanDerWaalsContact O-CB 3.31Å; L42-F45 WeakPolarHBondContact O-CB 3.42Å; L42-F45 PolarHBondContact O-N 2.92Å; L42-L46 WeakPolarHBondContact O-CG 3.41Å; L42-L46 PolarHBondContact O-N 2.99Å; L42-F70 HydrophobicContact CB-CD2 3.67Å; L42-F70 HydrophobicContact CB-CE2 3.9Å; L42-F70 HydrophobicContact CD1-CD2 4.25Å; L42-F70 HydrophobicContact CD1-CE2 4.22Å; L42-V102 HydrophobicContact CD2-CG1 3.68Å; L42-K104 HydrophobicContact CD1-CB 3.53Å; L42-K104 HydrophobicContact CD1-CD 3.87Å; L42-K104 HydrophobicContact CD1-CG 3.5Å; L42-K104 VanDerWaalsContact CD1-CG 3.5Å |
| 43 | N | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.5 | -30.5 | 176 | -67.6 | -11.3 | 0 | 0 | 0 | 112.2 | S39 F40 M41 F45 L46 K47 L67 G69 F70 W72 | S39-N43 VanDerWaalsContact O-CG 3.28Å; S39-N43 PolarHBondContact O-N 3.22Å; S39-N43 PolarHBondContact O-OD1 2.94Å; F40-N43 PolarHBondContact O-N 3.37Å; M41-N43 PolarHBondContact O-N 2.77Å; N43-F45 VanDerWaalsContact C-N 3.28Å; N43-L46 PolarHBondContact O-N 2.81Å; N43-K47 WeakPolarHBondContact O-CB 3.48Å; N43-K47 PolarHBondContact O-N 3.16Å; N43-L67 HydrophobicContact CB-CD1 3.68Å; N43-L67 HydrophobicContact CB-CD2 3.78Å; N43-L67 HydrophobicContact CB-CG 3.48Å; N43-L67 VanDerWaalsContact CB-CG 3.48Å; N43-G69 WeakPolarHBondContact OD1-CA 3.09Å; N43-F70 PolarHBondContact ND2-O 2.68Å; N43-F70 WeakPolarHBondContact OD1-CB 3.13Å; N43-F70 PolarHBondContact OD1-N 3.49Å; N43-W72 PolarHBondContact ND2-NE1 3.46Å |
| 44 | F | 91.8 | Very high | 85 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.4 | -36 | 168.4 | -73.7 | -65.7 | 0 | 0 | 0 | 111.7 | F40 M41 L42 K47 Y48 W59 L60 L67 L233 I236 F240 L244 | F40-F44 AromaticContact CD1-CE2 3.95Å; F40-F44 HydrophobicContact CD1-CE2 3.95Å; F40-F44 HydrophobicContact CD2-CE2 4.4Å; F40-F44 HydrophobicContact CE1-CD2 4.49Å; F40-F44 AromaticContact CE1-CE2 3.54Å; F40-F44 HydrophobicContact CE1-CE2 3.54Å; F40-F44 HydrophobicContact CE1-CZ 4.33Å; F40-F44 AromaticContact CE2-CE2 3.99Å; F40-F44 HydrophobicContact CE2-CE2 3.99Å; F40-F44 HydrophobicContact CE2-CZ 4.34Å; F40-F44 HydrophobicContact CG-CE2 4.38Å; F40-F44 AromaticContact CZ-CE2 3.56Å; F40-F44 HydrophobicContact CZ-CE2 3.56Å; F40-F44 AromaticContact CZ-CZ 3.94Å; F40-F44 HydrophobicContact CZ-CZ 3.94Å; F40-F44 WeakPolarHBondContact O-CD2 3.42Å; F40-F44 PolarHBondContact O-N 3.47Å; M41-F44 WeakPolarHBondContact O-CB 3.4Å; M41-F44 PolarHBondContact O-N 2.91Å; M41-F44 VanDerWaalsContact O-N 3.1Å; L42-F44 VanDerWaalsContact C-N 3.35Å; F44-K47 PolarHBondContact O-N 3.14Å; F44-Y48 WeakPolarHBondContact O-CB 3.42Å; F44-Y48 PolarHBondContact O-N 2.79Å; F44-W59 HydrophobicContact CB-CZ3 4Å; F44-W59 AromaticContact CD1-CZ3 3.83Å; F44-W59 HydrophobicContact CD1-CZ3 3.83Å; F44-W59 HydrophobicContact CG-CZ3 4.34Å; F44-L60 HydrophobicContact CD1-CD1 3.93Å; F44-L60 HydrophobicContact CE1-CD1 3.69Å; F44-L67 HydrophobicContact CD1-CD1 3.83Å; F44-L67 HydrophobicContact CD2-CD2 4.07Å; F44-L67 HydrophobicContact CE1-CD1 3.92Å; F44-L67 HydrophobicContact CE1-CD2 4.33Å; F44-L67 HydrophobicContact CE2-CD2 3.69Å; F44-L67 HydrophobicContact CG-CD1 4.16Å; F44-L67 HydrophobicContact CZ-CD1 4.28Å; F44-L67 HydrophobicContact CZ-CD2 3.84Å; F44-L233 HydrophobicContact CE1-CD2 3.72Å; F44-L233 HydrophobicContact CZ-CD2 4.18Å; F44-I236 HydrophobicContact CE1-CD1 4.4Å; F44-I236 HydrophobicContact CZ-CD1 3.62Å; F44-F240 HydrophobicContact CE2-CE1 4.13Å; F44-L244 HydrophobicContact CB-CD2 4.48Å; F44-L244 HydrophobicContact CD1-CD1 3.9Å; F44-L244 HydrophobicContact CD2-CD1 3.86Å; F44-L244 HydrophobicContact CD2-CD2 4.28Å; F44-L244 HydrophobicContact CE1-CD1 3.84Å; F44-L244 HydrophobicContact CE2-CD1 3.81Å; F44-L244 HydrophobicContact CG-CD1 3.91Å; F44-L244 HydrophobicContact CG-CD2 4.36Å; F44-L244 HydrophobicContact CZ-CD1 3.79Å |
| 45 | F | 89.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.9 | -67.9 | 6.4 | 0 | 0 | 0 | 110.9 | V28 V30 M41 L42 N43 K47 Y48 L49 I126 F247 V248 I251 L252 | V28-F45 HydrophobicContact CG1-CD2 4.34Å; V28-F45 HydrophobicContact CG1-CE2 4.01Å; V30-F45 HydrophobicContact CG2-CD2 4.5Å; V30-F45 HydrophobicContact CG2-CE2 3.78Å; V30-F45 HydrophobicContact CG2-CZ 4.36Å; M41-F45 HydrophobicContact CG-CE1 3.86Å; M41-F45 HydrophobicContact CG-CZ 4.04Å; M41-F45 WeakPolarHBondContact O-CD1 3.3Å; M41-F45 PolarHBondContact O-N 3.05Å; M41-F45 VanDerWaalsContact O-N 3.16Å; M41-F45 HydrophobicContact SD-CE1 3.86Å; M41-F45 HydrophobicContact SD-CZ 4.49Å; L42-F45 HydrophobicContact CD2-CD2 4.03Å; L42-F45 VanDerWaalsContact O-CB 3.31Å; L42-F45 WeakPolarHBondContact O-CB 3.42Å; L42-F45 PolarHBondContact O-N 2.92Å; N43-F45 VanDerWaalsContact C-N 3.28Å; F45-K47 VanDerWaalsContact C-N 3.34Å; F45-K47 PolarHBondContact O-N 3.42Å; F45-Y48 PolarHBondContact O-N 2.94Å; F45-L49 WeakPolarHBondContact O-CB 3.33Å; F45-L49 VanDerWaalsContact O-CG 3.25Å; F45-L49 WeakPolarHBondContact O-CG 3.47Å; F45-L49 PolarHBondContact O-N 2.99Å; F45-I126 HydrophobicContact CE2-CD1 3.56Å; F45-I126 HydrophobicContact CZ-CD1 3.64Å; F45-F247 HydrophobicContact CE1-CD1 4.26Å; F45-F247 AromaticContact CE1-CE1 3.8Å; F45-F247 HydrophobicContact CE1-CE1 3.8Å; F45-F247 AromaticContact CZ-CE1 3.76Å; F45-F247 HydrophobicContact CZ-CE1 3.76Å; F45-F247 HydrophobicContact CZ-CZ 4.28Å; F45-V248 HydrophobicContact CD1-CG1 3.9Å; F45-V248 HydrophobicContact CD1-CG2 4Å; F45-V248 HydrophobicContact CE1-CG1 4.36Å; F45-V248 HydrophobicContact CE1-CG2 3.96Å; F45-I251 HydrophobicContact CE2-CG2 4.41Å; F45-I251 HydrophobicContact CZ-CG2 4.42Å; F45-L252 HydrophobicContact CB-CD1 3.46Å; F45-L252 VanDerWaalsContact CB-CD1 3.46Å; F45-L252 HydrophobicContact CD1-CD1 3.91Å; F45-L252 HydrophobicContact CD2-CD1 3.98Å; F45-L252 HydrophobicContact CG-CD1 3.54Å; F45-L252 HydrophobicContact CG-CG 4.5Å |
| 46 | L | 89.2 | Confident | 86 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.7 | -66.4 | 175.6 | 0 | 0 | 0 | 111.8 | L42 N43 L49 R50 F70 W86 F90 | L42-L46 WeakPolarHBondContact O-CG 3.41Å; L42-L46 PolarHBondContact O-N 2.99Å; N43-L46 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 2.86Å; L46-R50 WeakPolarHBondContact O-CB 3.48Å; L46-R50 VanDerWaalsContact O-CG 3.24Å; L46-R50 WeakPolarHBondContact O-CG 3.49Å; L46-R50 PolarHBondContact O-N 3.45Å; L46-F70 HydrophobicContact CD1-CD2 3.8Å; L46-F70 HydrophobicContact CD1-CE2 3.95Å; L46-F70 HydrophobicContact CG-CE2 4.37Å; L46-W86 HydrophobicContact CD1-CD2 3.78Å; L46-W86 HydrophobicContact CD1-CE3 3.64Å; L46-W86 HydrophobicContact CD1-CG 4.47Å; L46-W86 HydrophobicContact CD1-CH2 4.16Å; L46-W86 HydrophobicContact CD1-CZ2 4.3Å; L46-W86 HydrophobicContact CD1-CZ3 3.82Å; L46-W86 HydrophobicContact CD2-CB 4.26Å; L46-W86 HydrophobicContact CD2-CD2 3.74Å; L46-W86 HydrophobicContact CD2-CE3 4.39Å; L46-W86 HydrophobicContact CD2-CG 3.6Å; L46-W86 HydrophobicContact CG-CD2 4.44Å; L46-F90 HydrophobicContact CD2-CE2 3.68Å; L46-F90 HydrophobicContact CD2-CZ 3.82Å |
| 47 | K | 91.3 | Very high | 86.3 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 10% | 0.104 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 178.8 | -164.3 | -179.4 | -176.6 | 98.4 | 0 | 111.7 | N43 F44 F45 R50 N51 W59 S65 L233 | N43-K47 WeakPolarHBondContact O-CB 3.48Å; N43-K47 PolarHBondContact O-N 3.16Å; F44-K47 PolarHBondContact O-N 3.14Å; F45-K47 VanDerWaalsContact C-N 3.34Å; F45-K47 PolarHBondContact O-N 3.42Å; K47-R50 PolarHBondContact O-N 3.33Å; K47-N51 VanDerWaalsContact O-CB 3.29Å; K47-N51 WeakPolarHBondContact O-CB 3.33Å; K47-N51 PolarHBondContact O-N 3.35Å; K47-W59 HydrophobicContact CB-CE3 4.4Å; K47-W59 WeakPolarHBondContact CD-O 3.29Å; K47-W59 WeakPolarHBondContact CE-O 3.46Å; K47-S65 PolarHBondContact NZ-OG 2.98Å; K47-L233 HydrophobicContact CD-CD1 4.48Å |
| 48 | Y | 90.9 | Very high | 86.6 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 175 | 174.6 | -100.8 | 0 | 0 | 0 | 112.2 | F44 F45 R50 N51 E52 V53 W59 V248 P249 L252 | F44-Y48 WeakPolarHBondContact O-CB 3.42Å; F44-Y48 PolarHBondContact O-N 2.79Å; F45-Y48 PolarHBondContact O-N 2.94Å; Y48-R50 VanDerWaalsContact C-N 3.32Å; Y48-R50 PolarHBondContact O-N 3.06Å; Y48-N51 PolarHBondContact O-N 2.96Å; Y48-E52 HydrophobicContact CD2-CB 3.94Å; Y48-E52 HydrophobicContact CE2-CB 3.9Å; Y48-E52 HydrophobicContact CE2-CG 4.05Å; Y48-E52 VanDerWaalsContact CE2-OE1 3.28Å; Y48-E52 WeakPolarHBondContact CE2-OE1 3.47Å; Y48-E52 VanDerWaalsContact CE2-OE2 3.23Å; Y48-E52 WeakPolarHBondContact CE2-OE2 3.36Å; Y48-E52 PolarHBondContact O-N 3.39Å; Y48-E52 PolarHBondContact OH-OE1 2.91Å; Y48-V53 HydrophobicContact CD1-CG2 3.8Å; Y48-V53 HydrophobicContact CE1-CG2 3.3Å; Y48-V53 PolarHBondContact O-N 3.14Å; Y48-W59 AromaticContact CD2-CD1 3.83Å; Y48-W59 AromaticContact CD2-CD2 3.99Å; Y48-W59 HydrophobicContact CD2-CD2 3.99Å; Y48-W59 AromaticContact CD2-CE2 3.82Å; Y48-W59 AromaticContact CD2-CG 3.96Å; Y48-W59 HydrophobicContact CD2-CG 3.96Å; Y48-W59 HydrophobicContact CD2-CZ2 4.42Å; Y48-W59 AromaticContact CD2-NE1 3.68Å; Y48-V248 VanDerWaalsContact CB-CG1 3.46Å; Y48-V248 HydrophobicContact CD1-CG1 3.84Å; Y48-V248 HydrophobicContact CD2-CG1 4.07Å; Y48-V248 HydrophobicContact CG-CG1 3.51Å; Y48-P249 HydrophobicContact CD2-CG 4.39Å; Y48-P249 HydrophobicContact CE2-CB 4.15Å; Y48-P249 HydrophobicContact CE2-CG 3.67Å; Y48-L252 HydrophobicContact CD1-CB 3.72Å; Y48-L252 HydrophobicContact CD1-CD1 4.01Å; Y48-L252 HydrophobicContact CE1-CB 3.64Å |
| 49 | L | 87.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -63.2 | -38.1 | -179.2 | -68.5 | 176.4 | 0 | 0 | 0 | 112.4 | F45 L46 V53 L54 F90 I100 V102 L252 | F45-L49 WeakPolarHBondContact O-CB 3.33Å; F45-L49 VanDerWaalsContact O-CG 3.25Å; F45-L49 WeakPolarHBondContact O-CG 3.47Å; F45-L49 PolarHBondContact O-N 2.99Å; L46-L49 PolarHBondContact O-N 2.86Å; L49-V53 HydrophobicContact CD2-CG2 4.09Å; L49-L54 VanDerWaalsContact O-CG 3.31Å; L49-L54 WeakPolarHBondContact O-CG 3.23Å; L49-L54 PolarHBondContact O-N 3.16Å; L49-L54 VanDerWaalsContact O-N 3.17Å; L49-F90 HydrophobicContact CB-CD1 3.69Å; L49-F90 HydrophobicContact CB-CD2 4.36Å; L49-F90 HydrophobicContact CB-CE1 3.63Å; L49-F90 HydrophobicContact CB-CE2 4.3Å; L49-F90 HydrophobicContact CB-CG 4.07Å; L49-F90 HydrophobicContact CB-CZ 3.94Å; L49-F90 HydrophobicContact CD1-CD1 4.42Å; L49-F90 HydrophobicContact CD1-CD2 3.63Å; L49-F90 HydrophobicContact CD1-CE2 3.82Å; L49-F90 HydrophobicContact CD1-CG 3.96Å; L49-F90 HydrophobicContact CD1-CZ 4.29Å; L49-I100 HydrophobicContact CD1-CD1 4.17Å; L49-I100 HydrophobicContact CD1-CG2 4.29Å; L49-I100 HydrophobicContact CD2-CD1 3.42Å; L49-I100 VanDerWaalsContact CD2-CD1 3.42Å; L49-I100 HydrophobicContact CG-CD1 4.45Å; L49-V102 HydrophobicContact CD1-CG2 3.53Å; L49-L252 HydrophobicContact CD1-CD1 4.38Å; L49-L252 HydrophobicContact CD2-CB 4.2Å; L49-L252 HydrophobicContact CD2-CD1 4.36Å; L49-L252 HydrophobicContact CG-CD1 4.13Å |
| 50 | R | 87.5 | Confident | 87.1 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -72.2 | -47.8 | 177.5 | -72.4 | 174.1 | 177.3 | 179.1 | -4.2 | 112.7 | L46 K47 Y48 L54 L55 F90 | L46-R50 WeakPolarHBondContact O-CB 3.48Å; L46-R50 VanDerWaalsContact O-CG 3.24Å; L46-R50 WeakPolarHBondContact O-CG 3.49Å; L46-R50 PolarHBondContact O-N 3.45Å; K47-R50 PolarHBondContact O-N 3.33Å; Y48-R50 VanDerWaalsContact C-N 3.32Å; Y48-R50 PolarHBondContact O-N 3.06Å; R50-L54 WeakPolarHBondContact O-CB 3.41Å; R50-L55 WeakPolarHBondContact O-CG 3.33Å; R50-L55 PolarHBondContact O-N 3.3Å; R50-F90 HydrophobicContact CG-CE1 3.78Å; R50-F90 HydrophobicContact CG-CZ 4.18Å |
| 51 | N | 88 | Confident | 86.4 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -89.5 | -55.3 | -167.3 | -68.2 | 10 | 0 | 0 | 0 | 111.4 | K47 Y48 L55 G56 V57 W59 | K47-N51 VanDerWaalsContact O-CB 3.29Å; K47-N51 WeakPolarHBondContact O-CB 3.33Å; K47-N51 PolarHBondContact O-N 3.35Å; Y48-N51 PolarHBondContact O-N 2.96Å; N51-L55 CarbonylContact O-C 3.56Å; N51-L55 WeakPolarHBondContact O-CA 3.34Å; N51-L55 VanDerWaalsContact O-CB 3.31Å; N51-L55 WeakPolarHBondContact O-CB 3.36Å; N51-L55 PolarHBondContact O-N 3.21Å; N51-G56 PolarHBondContact O-N 3.09Å; N51-V57 CarbonylContact C-O 3.49Å; N51-V57 VanDerWaalsContact C-O 3.32Å; N51-V57 HydrophobicContact CB-CG2 3.89Å; N51-V57 WeakPolarHBondContact O-CG2 3.49Å; N51-V57 PolarHBondContact O-N 3.48Å; N51-W59 HydrophobicContact CB-CB 3.72Å |
| 52 | E | 83.9 | Confident | 86 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -78.4 | -47.2 | -175.7 | -167.4 | 177.9 | 129.2 | 0 | 0 | 110.9 | Y48 G56 V57 W59 | Y48-E52 HydrophobicContact CD2-CB 3.94Å; Y48-E52 HydrophobicContact CE2-CB 3.9Å; Y48-E52 HydrophobicContact CE2-CG 4.05Å; Y48-E52 VanDerWaalsContact CE2-OE1 3.28Å; Y48-E52 WeakPolarHBondContact CE2-OE1 3.47Å; Y48-E52 VanDerWaalsContact CE2-OE2 3.23Å; Y48-E52 WeakPolarHBondContact CE2-OE2 3.36Å; Y48-E52 PolarHBondContact O-N 3.39Å; Y48-E52 PolarHBondContact OH-OE1 2.91Å; E52-G56 VanDerWaalsContact O-CA 3.24Å; E52-G56 WeakPolarHBondContact O-CA 3.29Å; E52-G56 PolarHBondContact O-N 3.37Å; E52-G56 VanDerWaalsContact O-N 3.12Å; E52-V57 VanDerWaalsContact CA-O 3.25Å; E52-V57 WeakPolarHBondContact CA-O 3.49Å; E52-V57 PolarHBondContact N-O 3.17Å; E52-W59 HydrophobicContact CB-CB 4.14Å; E52-W59 HydrophobicContact CB-CG 4.34Å; E52-W59 PolarHBondContact OE2-NE1 3.18Å; E52-W59 VanDerWaalsContact OE2-NE1 3.14Å |
| 53 | V | 80.9 | Confident | 85.5 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -79.3 | -42.2 | -170.9 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | Y48 L49 L92 P254 | Y48-V53 HydrophobicContact CD1-CG2 3.8Å; Y48-V53 HydrophobicContact CE1-CG2 3.3Å; Y48-V53 PolarHBondContact O-N 3.14Å; L49-V53 HydrophobicContact CD2-CG2 4.09Å; V53-L92 HydrophobicContact CB-CD2 4.41Å; V53-L92 HydrophobicContact CG1-CD1 3.84Å; V53-L92 HydrophobicContact CG1-CD2 3.3Å; V53-L92 HydrophobicContact CG1-CG 4.23Å; V53-P254 HydrophobicContact CG1-CG 4.16Å |
| 54 | L | 79.2 | Confident | 84.7 | Confident | 95 Ų | 95 | 54 Ų | 54 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -89.1 | -37.8 | -179.1 | -68.5 | 178.4 | 0 | 0 | 0 | 113.7 | L49 R50 F90 L92 | L49-L54 VanDerWaalsContact O-CG 3.31Å; L49-L54 WeakPolarHBondContact O-CG 3.23Å; L49-L54 PolarHBondContact O-N 3.16Å; L49-L54 VanDerWaalsContact O-N 3.17Å; R50-L54 WeakPolarHBondContact O-CB 3.41Å; L54-F90 HydrophobicContact CD1-CD1 3.79Å; L54-F90 HydrophobicContact CD1-CE1 4.17Å; L54-F90 HydrophobicContact CG-CD1 4.49Å; L54-L92 HydrophobicContact CD2-CD2 4.27Å |
| 55 | L | 84.4 | Confident | 84.3 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -102.2 | -13.5 | -175.3 | -62.3 | 172.7 | 0 | 0 | 0 | 113.6 | R50 N51 V57 | R50-L55 WeakPolarHBondContact O-CG 3.33Å; R50-L55 PolarHBondContact O-N 3.3Å; N51-L55 CarbonylContact O-C 3.56Å; N51-L55 WeakPolarHBondContact O-CA 3.34Å; N51-L55 VanDerWaalsContact O-CB 3.31Å; N51-L55 WeakPolarHBondContact O-CB 3.36Å; N51-L55 PolarHBondContact O-N 3.21Å; L55-V57 HydrophobicContact CB-CG1 4.41Å; L55-V57 HydrophobicContact CB-CG2 4.06Å; L55-V57 PolarHBondContact O-N 3.36Å |
| 56 | G | 82.9 | Confident | 84.1 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 68% | 0.68 | 33% | 0.328 | S | S | * | . | trans | 68.2 | 21.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N51 E52 | N51-G56 PolarHBondContact O-N 3.09Å; E52-G56 VanDerWaalsContact O-CA 3.24Å; E52-G56 WeakPolarHBondContact O-CA 3.29Å; E52-G56 PolarHBondContact O-N 3.37Å; E52-G56 VanDerWaalsContact O-N 3.12Å | ||
| 57 | V | 85.1 | Confident | 84.1 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -108.3 | 151 | -179.6 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | N51 E52 L55 W59 | N51-V57 CarbonylContact C-O 3.49Å; N51-V57 VanDerWaalsContact C-O 3.32Å; N51-V57 HydrophobicContact CB-CG2 3.89Å; N51-V57 WeakPolarHBondContact O-CG2 3.49Å; N51-V57 PolarHBondContact O-N 3.48Å; E52-V57 VanDerWaalsContact CA-O 3.25Å; E52-V57 WeakPolarHBondContact CA-O 3.49Å; E52-V57 PolarHBondContact N-O 3.17Å; L55-V57 HydrophobicContact CB-CG1 4.41Å; L55-V57 HydrophobicContact CB-CG2 4.06Å; L55-V57 PolarHBondContact O-N 3.36Å; V57-W59 PolarHBondContact O-N 2.91Å |
| 58 | E | 86.4 | Confident | 83.8 | Confident | 142 Ų | 142 | 62.7 Ų | 62.7 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | trans | -56.1 | 123.5 | 176.3 | -64.2 | -174.5 | 156.6 | 0 | 0 | 110.8 | N61 | E58-N61 HydrophobicContact CB-CB 4.36Å; E58-N61 PolarHBondContact OE2-ND2 3.35Å | ||
| 59 | W | 88.3 | Confident | 83.7 | Confident | 9 Ų | 9 | 64 Ų | 64 | 3% | 0.034 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -88.8 | -17.6 | -168.5 | 67.7 | -74.6 | 0 | 0 | 0 | 114.8 | F44 K47 Y48 N51 E52 V57 L244 V248 | F44-W59 HydrophobicContact CB-CZ3 4Å; F44-W59 AromaticContact CD1-CZ3 3.83Å; F44-W59 HydrophobicContact CD1-CZ3 3.83Å; F44-W59 HydrophobicContact CG-CZ3 4.34Å; K47-W59 HydrophobicContact CB-CE3 4.4Å; K47-W59 WeakPolarHBondContact CD-O 3.29Å; K47-W59 WeakPolarHBondContact CE-O 3.46Å; Y48-W59 AromaticContact CD2-CD1 3.83Å; Y48-W59 AromaticContact CD2-CD2 3.99Å; Y48-W59 HydrophobicContact CD2-CD2 3.99Å; Y48-W59 AromaticContact CD2-CE2 3.82Å; Y48-W59 AromaticContact CD2-CG 3.96Å; Y48-W59 HydrophobicContact CD2-CG 3.96Å; Y48-W59 HydrophobicContact CD2-CZ2 4.42Å; Y48-W59 AromaticContact CD2-NE1 3.68Å; N51-W59 HydrophobicContact CB-CB 3.72Å; E52-W59 HydrophobicContact CB-CB 4.14Å; E52-W59 HydrophobicContact CB-CG 4.34Å; E52-W59 PolarHBondContact OE2-NE1 3.18Å; E52-W59 VanDerWaalsContact OE2-NE1 3.14Å; V57-W59 PolarHBondContact O-N 2.91Å; W59-L244 HydrophobicContact CH2-CB 4.08Å; W59-V248 HydrophobicContact CH2-CB 3.88Å; W59-V248 HydrophobicContact CH2-CG1 4.31Å; W59-V248 HydrophobicContact CH2-CG2 3.63Å; W59-V248 HydrophobicContact CZ2-CB 3.98Å; W59-V248 HydrophobicContact CZ2-CG2 4.19Å; W59-V248 HydrophobicContact CZ3-CG2 4.43Å |
| 60 | L | 88.2 | Confident | 83.5 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -120.7 | -7.9 | -172 | -161.3 | 62.8 | 0 | 0 | 0 | 114.6 | F44 L233 K241 L244 M245 | F44-L60 HydrophobicContact CD1-CD1 3.93Å; F44-L60 HydrophobicContact CE1-CD1 3.69Å; L60-L233 HydrophobicContact CD1-CD1 4.09Å; L60-L233 HydrophobicContact CD1-CD2 4.29Å; L60-K241 HydrophobicContact CD2-CB 3.79Å; L60-K241 HydrophobicContact CD2-CG 4.23Å; L60-K241 WeakPolarHBondContact CD2-O 3.48Å; L60-L244 HydrophobicContact CD2-CB 4.09Å; L60-L244 HydrophobicContact CD2-CD1 4.47Å; L60-M245 HydrophobicContact CB-CE 4.4Å; L60-M245 HydrophobicContact CD2-CE 3.97Å; L60-M245 HydrophobicContact CD2-CG 3.82Å; L60-M245 HydrophobicContact CG-CE 4.46Å |
| 61 | N | 74.3 | Confident | 83.4 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | trans | -88.4 | -1.4 | -171.2 | -69.8 | -11.9 | 0 | 0 | 0 | 114.7 | E58 D63 | E58-N61 HydrophobicContact CB-CB 4.36Å; E58-N61 PolarHBondContact OE2-ND2 3.35Å; N61-D63 PolarHBondContact O-N 2.92Å | ||
| 62 | D | 78.7 | Confident | 83 | Confident | 91 Ų | 91 | 65 Ų | 65 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | trans | -90.4 | 86.4 | 174.5 | -177.8 | 12.3 | 0 | 0 | 0 | 111.2 | A64 S65 | D62-A64 PolarHBondContact O-N 3.07Å; D62-A64 VanDerWaalsContact O-N 3.14Å; D62-A64 WeakPolarHBondContact OD1-CB 3.46Å; D62-A64 PolarHBondContact OD1-N 3.1Å; D62-S65 WeakPolarHBondContact O-CB 3.26Å; D62-S65 PolarHBondContact O-N 2.97Å; D62-S65 PolarHBondContact O-OG 3.13Å; D62-S65 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 63 | D | 76.9 | Confident | 82.7 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.6 | 179 | -85.7 | -16.6 | 0 | 0 | 0 | 114 | N61 S65 K241 | N61-D63 PolarHBondContact O-N 2.92Å; D63-S65 VanDerWaalsContact C-N 3.3Å; D63-K241 IonicContact OD1-NZ 3.07Å; D63-K241 PolarHBondContact OD1-NZ 2.92Å |
| 64 | A | 73.6 | Confident | 82.4 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 79% | 0.793 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D62 | D62-A64 PolarHBondContact O-N 3.07Å; D62-A64 VanDerWaalsContact O-N 3.14Å; D62-A64 WeakPolarHBondContact OD1-CB 3.46Å; D62-A64 PolarHBondContact OD1-N 3.1Å |
| 65 | S | 82.9 | Confident | 82.1 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | trans | -80.7 | 149.9 | -178.2 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | K47 D62 D63 L233 | K47-S65 PolarHBondContact NZ-OG 2.98Å; D62-S65 WeakPolarHBondContact O-CB 3.26Å; D62-S65 PolarHBondContact O-N 2.97Å; D62-S65 PolarHBondContact O-OG 3.13Å; D62-S65 WeakPolarHBondContact OD2-CB 3.48Å; D63-S65 VanDerWaalsContact C-N 3.3Å; S65-L233 WeakPolarHBondContact O-CG 3.08Å; S65-L233 PolarHBondContact O-N 3.4Å; S65-L233 VanDerWaalsContact O-N 3.16Å; S65-L233 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 66 | S | 85.8 | Confident | 81.7 | Confident | 50 Ų | 50 | 66 Ų | 66 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | trans | -99.5 | 161.9 | 170.6 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | G231 | S66-G231 CarbonylContact C-O 3.54Å; S66-G231 WeakPolarHBondContact CA-O 3.48Å | ||
| 67 | L | 88.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 42% | 0.418 | C | S | . | . | trans | -91.1 | 105.2 | 179.1 | -170.5 | 67.3 | 0 | 0 | 0 | 111.3 | F40 N43 F44 W72 G231 | F40-L67 HydrophobicContact CD2-CD2 3.46Å; F40-L67 VanDerWaalsContact CD2-CD2 3.46Å; F40-L67 HydrophobicContact CE2-CD2 3.56Å; F40-L67 HydrophobicContact CG-CD2 4.23Å; F40-L67 HydrophobicContact CZ-CD2 4.43Å; N43-L67 HydrophobicContact CB-CD1 3.68Å; N43-L67 HydrophobicContact CB-CD2 3.78Å; N43-L67 HydrophobicContact CB-CG 3.48Å; N43-L67 VanDerWaalsContact CB-CG 3.48Å; F44-L67 HydrophobicContact CD1-CD1 3.83Å; F44-L67 HydrophobicContact CD2-CD2 4.07Å; F44-L67 HydrophobicContact CE1-CD1 3.92Å; F44-L67 HydrophobicContact CE1-CD2 4.33Å; F44-L67 HydrophobicContact CE2-CD2 3.69Å; F44-L67 HydrophobicContact CG-CD1 4.16Å; F44-L67 HydrophobicContact CZ-CD1 4.28Å; F44-L67 HydrophobicContact CZ-CD2 3.84Å; L67-W72 PolarHBondContact O-NE1 2.93Å; L67-G231 WeakPolarHBondContact CB-O 3.35Å; L67-G231 PolarHBondContact N-O 2.89Å | ||
| 68 | E | 86.5 | Confident | 80.6 | Confident | 133 Ų | 133 | 73.5 Ų | 73.5 | 62% | 0.621 | 43% | 0.425 | S | S | * | . | trans | -107 | 156.4 | -178.8 | -60.7 | -176 | 172.4 | 0 | 0 | 112.8 | ||||
| 69 | G | 87.5 | Confident | 79.8 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 143.3 | -125.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N43 | N43-G69 WeakPolarHBondContact OD1-CA 3.09Š|
| 70 | F | 84.6 | Confident | 78.8 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 5% | 0.048 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -58.2 | 137.3 | 173.7 | -67.8 | -75 | 0 | 0 | 0 | 111.2 | L42 N43 L46 W72 L84 W86 V102 K104 | L42-F70 HydrophobicContact CB-CD2 3.67Å; L42-F70 HydrophobicContact CB-CE2 3.9Å; L42-F70 HydrophobicContact CD1-CD2 4.25Å; L42-F70 HydrophobicContact CD1-CE2 4.22Å; N43-F70 PolarHBondContact ND2-O 2.68Å; N43-F70 WeakPolarHBondContact OD1-CB 3.13Å; N43-F70 PolarHBondContact OD1-N 3.49Å; L46-F70 HydrophobicContact CD1-CD2 3.8Å; L46-F70 HydrophobicContact CD1-CE2 3.95Å; L46-F70 HydrophobicContact CG-CE2 4.37Å; F70-W72 PolarHBondContact O-N 3.45Å; F70-L84 HydrophobicContact CE1-CB 4.3Å; F70-W86 HydrophobicContact CD1-CE3 4.05Å; F70-W86 HydrophobicContact CD1-CZ3 4.43Å; F70-W86 HydrophobicContact CD2-CE3 4.19Å; F70-W86 HydrophobicContact CE1-CB 4.43Å; F70-W86 AromaticContact CE1-CE3 3.87Å; F70-W86 HydrophobicContact CE1-CE3 3.87Å; F70-W86 HydrophobicContact CE2-CB 4.35Å; F70-W86 HydrophobicContact CE2-CE3 4Å; F70-W86 HydrophobicContact CG-CE3 4.23Å; F70-W86 HydrophobicContact CG-CZ3 4.45Å; F70-W86 HydrophobicContact CZ-CB 3.75Å; F70-W86 HydrophobicContact CZ-CD2 4.47Å; F70-W86 AromaticContact CZ-CE3 3.86Å; F70-W86 HydrophobicContact CZ-CE3 3.86Å; F70-W86 HydrophobicContact CZ-CG 4.47Å; F70-V102 HydrophobicContact CE2-CG1 4.19Å; F70-K104 HydrophobicContact CB-CD 3.96Å; F70-K104 HydrophobicContact CD1-CB 4.18Å; F70-K104 HydrophobicContact CD1-CD 3.34Å; F70-K104 HydrophobicContact CD1-CG 4.41Å; F70-K104 HydrophobicContact CD2-CD 4.3Å; F70-K104 HydrophobicContact CE1-CB 3.7Å; F70-K104 HydrophobicContact CE1-CD 3.77Å; F70-K104 HydrophobicContact CE1-CG 4.41Å; F70-K104 HydrophobicContact CE2-CB 4.43Å; F70-K104 HydrophobicContact CG-CD 3.62Å; F70-K104 HydrophobicContact CZ-CB 3.82Å; F70-K104 HydrophobicContact CZ-CD 4.4Å |
| 71 | S | 84.3 | Confident | 77.9 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | trans | -52.8 | 131.9 | 172.3 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | S39 D79 K104 | S39-S71 VanDerWaalsContact CB-O 3.29Å; S39-S71 WeakPolarHBondContact CB-O 3.39Å; S39-S71 PolarHBondContact OG-O 3.38Å; S39-S71 VanDerWaalsContact OG-O 3.07Å; S71-D79 WeakPolarHBondContact CB-OD2 3.45Å; S71-D79 PolarHBondContact OG-OD2 3.5Å; S71-K104 PolarHBondContact O-NZ 2.91Å | ||
| 72 | W | 79.6 | Confident | 77.8 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 21% | 0.212 | 43% | 0.43 | C | S | . | . | trans | -149.3 | 146 | 174.5 | 69.2 | -77.6 | 0 | 0 | 0 | 108.3 | F40 N43 L67 F70 F229 G231 | F40-W72 HydrophobicContact CD2-CD2 4.15Å; F40-W72 HydrophobicContact CD2-CE3 4.01Å; F40-W72 HydrophobicContact CD2-CH2 4.24Å; F40-W72 HydrophobicContact CD2-CZ2 4.31Å; F40-W72 HydrophobicContact CD2-CZ3 4.06Å; F40-W72 HydrophobicContact CE2-CH2 4.35Å; F40-W72 HydrophobicContact CE2-CZ3 4.45Å; N43-W72 PolarHBondContact ND2-NE1 3.46Å; L67-W72 PolarHBondContact O-NE1 2.93Å; F70-W72 PolarHBondContact O-N 3.45Å; W72-F229 AromaticContact CH2-CD1 3.41Å; W72-F229 HydrophobicContact CH2-CD1 3.41Å; W72-F229 VanDerWaalsContact CH2-CD1 3.41Å; W72-F229 AromaticContact CH2-CE1 3.16Å; W72-F229 HydrophobicContact CH2-CE1 3.16Å; W72-F229 HydrophobicContact CH2-CG 4.42Å; W72-F229 HydrophobicContact CH2-CZ 4.04Å; W72-F229 HydrophobicContact CZ2-CE1 4.23Å; W72-F229 AromaticContact CZ3-CD1 3.6Å; W72-F229 HydrophobicContact CZ3-CD1 3.6Å; W72-F229 AromaticContact CZ3-CE1 3.5Å; W72-F229 HydrophobicContact CZ3-CE1 3.5Å; W72-F229 VanDerWaalsContact CZ3-CE1 3.5Å; W72-G231 VanDerWaalsContact CZ2-CA 3.44Å | ||
| 73 | R | 77.3 | Confident | 77.7 | Confident | 140 Ų | 140 | 68.5 Ų | 68.5 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | trans | -151.1 | 165.3 | 176.3 | 55.3 | 179.6 | 177 | 148.6 | 6.4 | 110 | R35 R78 D79 | R35-R73 PolarHBondContact NH1-O 3.03Å; R73-R78 PolarHBondContact NH2-O 3.37Å; R73-D79 WeakPolarHBondContact CD-OD1 3.36Å; R73-D79 HydrophobicContact CG-CB 4.24Å; R73-D79 WeakPolarHBondContact CG-OD1 3.15Å; R73-D79 IonicContact CZ-OD1 4Å; R73-D79 IonicContact NE-OD1 3.74Å; R73-D79 PolarHBondContact NE-OD1 2.87Å; R73-D79 IonicContact NH2-OD1 2.66Å | ||
| 74 | G | 74.6 | Confident | 77.9 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | trans | -71.1 | -176.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R35 | R35-G74 VanDerWaalsContact CZ-O 3.28Å; R35-G74 PolarHBondContact NH1-O 3.46Å; R35-G74 VanDerWaalsContact NH1-O 3.11Å; R35-G74 PolarHBondContact NH2-O 3.27Å | ||
| 75 | G | 74 | Confident | 78.2 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 97.6 | 171.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R35 | R35-G75 VanDerWaalsContact CD-O 3.23Å; R35-G75 WeakPolarHBondContact CD-O 3.33Å; R35-G75 PolarHBondContact NE-O 3.36Å; R35-G75 PolarHBondContact NH2-O 3.5Å |
| 76 | A | 74.3 | Confident | 78.5 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 72% | 0.719 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -82.7 | -36.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 77 | E | 73.5 | Confident | 78.5 | Confident | 138 Ų | 138 | 68.2 Ų | 68.2 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -64.8 | 153.1 | -172.9 | -83.4 | -58.9 | 152 | 0 | 0 | 114.2 | R35 | R35-E77 PolarHBondContact NE-O 3.33Å; R35-E77 PolarHBondContact NH2-O 3.3Å |
| 78 | R | 71.8 | Confident | 78.3 | Confident | 160 Ų | 160 | 73.9 Ų | 73.9 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | trans | -67.4 | 148 | 177.5 | 66.5 | -163.6 | -172.6 | 176.1 | 1.6 | 112.7 | R73 | R73-R78 PolarHBondContact NH2-O 3.37Š| ||
| 79 | D | 69.9 | Low | 78.1 | Confident | 51 Ų | 51 | 68.4 Ų | 68.4 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | trans | -108.4 | -50.3 | 173.7 | -165.8 | 62.5 | 0 | 0 | 0 | 112.6 | S71 R73 | S71-D79 WeakPolarHBondContact CB-OD2 3.45Å; S71-D79 PolarHBondContact OG-OD2 3.5Å; R73-D79 WeakPolarHBondContact CD-OD1 3.36Å; R73-D79 HydrophobicContact CG-CB 4.24Å; R73-D79 WeakPolarHBondContact CG-OD1 3.15Å; R73-D79 IonicContact CZ-OD1 4Å; R73-D79 IonicContact NE-OD1 3.74Å; R73-D79 PolarHBondContact NE-OD1 2.87Å; R73-D79 IonicContact NH2-OD1 2.66Å | ||
| 80 | T | 66.9 | Low | 77.9 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | trans | -96.1 | 136.6 | -177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | L84 K104 R106 | T80-L84 HydrophobicContact CG2-CD1 3.74Å; T80-L84 HydrophobicContact CG2-CG 4.16Å; T80-K104 HydrophobicContact CG2-CD 4.42Å; T80-K104 WeakPolarHBondContact OG1-CE 3.33Å; T80-K104 PolarHBondContact OG1-NZ 3.44Å; T80-R106 WeakPolarHBondContact O-CD 3.4Å; T80-R106 VanDerWaalsContact O-CZ 3.23Å; T80-R106 PolarHBondContact O-NE 3.34Å; T80-R106 PolarHBondContact O-NH1 3.24Å | ||
| 81 | S | 69.9 | Low | 77.6 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 57% | 0.573 | 41% | 0.405 | S | S | * | . | trans | -114.3 | 148.6 | 165.7 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | R106 | S81-R106 VanDerWaalsContact CB-NH1 3.25Š| ||
| 82 | G | 72.6 | Confident | 77.3 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 66.5 | -162.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R106 | G82-R106 WeakPolarHBondContact O-CB 3.42Å; G82-R106 PolarHBondContact O-N 3.44Å |
| 83 | V | 76.1 | Confident | 76.7 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.6 | 168 | 178 | 0 | 0 | 0 | 0 | 107.7 | K104 F118 | V83-K104 CarbonylContact C-O 3.59Å; V83-K104 WeakPolarHBondContact CA-O 3.33Å; V83-F118 HydrophobicContact CB-CD1 4.44Å; V83-F118 HydrophobicContact CB-CE1 4.44Å; V83-F118 HydrophobicContact CG2-CB 4.1Å; V83-F118 HydrophobicContact CG2-CD1 3.9Å; V83-F118 HydrophobicContact CG2-CD2 3.39Å; V83-F118 HydrophobicContact CG2-CE1 4.16Å; V83-F118 HydrophobicContact CG2-CE2 3.73Å; V83-F118 HydrophobicContact CG2-CG 3.51Å; V83-F118 HydrophobicContact CG2-CZ 4.09Å |
| 84 | L | 80.3 | Confident | 75.9 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.8 | 174.7 | -59 | 178.2 | 0 | 0 | 0 | 109.1 | F70 T80 K104 | F70-L84 HydrophobicContact CE1-CB 4.3Å; T80-L84 HydrophobicContact CG2-CD1 3.74Å; T80-L84 HydrophobicContact CG2-CG 4.16Å; L84-K104 HydrophobicContact CB-CB 4.05Å; L84-K104 HydrophobicContact CB-CD 4.27Å; L84-K104 HydrophobicContact CB-CG 4.34Å; L84-K104 HydrophobicContact CD1-CD 4.11Å; L84-K104 PolarHBondContact N-O 2.85Å; L84-K104 CarbonylContact O-C 3.32Å; L84-K104 WeakPolarHBondContact O-CA 3.23Å; L84-K104 WeakPolarHBondContact O-CB 3.29Å; L84-K104 PolarHBondContact O-N 3.49Å; L84-K104 VanDerWaalsContact O-O 3.09Å |
| 85 | L | 81.5 | Confident | 74.7 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.6 | 175.4 | -177.9 | 152.7 | 0 | 0 | 0 | 107.2 | L11 V14 L15 S87 I101 L103 | L11-L85 HydrophobicContact CD1-CD1 3.71Å; V14-L85 HydrophobicContact CB-CD2 4.06Å; V14-L85 HydrophobicContact CG1-CD2 3.46Å; V14-L85 VanDerWaalsContact CG1-CD2 3.46Å; V14-L85 HydrophobicContact CG2-CD2 4.18Å; L15-L85 HydrophobicContact CD2-CD1 4.5Å; L85-S87 PolarHBondContact O-N 3.37Å; L85-I101 HydrophobicContact CD1-CG2 3.63Å; L85-I101 HydrophobicContact CD2-CG2 4.44Å; L85-I101 HydrophobicContact CG-CG2 3.81Å; L85-L103 HydrophobicContact CB-CD2 3.74Å; L85-L103 HydrophobicContact CD1-CD2 3.37Å; L85-L103 HydrophobicContact CG-CD2 3.52Å |
| 86 | W | 88.1 | Confident | 73.5 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 16% | 0.163 | 41% | 0.407 | C | S | . | . | trans | -69.1 | 123.5 | 174.9 | -171.1 | -108.1 | 0 | 0 | 0 | 110 | L46 F70 Q88 F90 V102 | L46-W86 HydrophobicContact CD1-CD2 3.78Å; L46-W86 HydrophobicContact CD1-CE3 3.64Å; L46-W86 HydrophobicContact CD1-CG 4.47Å; L46-W86 HydrophobicContact CD1-CH2 4.16Å; L46-W86 HydrophobicContact CD1-CZ2 4.3Å; L46-W86 HydrophobicContact CD1-CZ3 3.82Å; L46-W86 HydrophobicContact CD2-CB 4.26Å; L46-W86 HydrophobicContact CD2-CD2 3.74Å; L46-W86 HydrophobicContact CD2-CE3 4.39Å; L46-W86 HydrophobicContact CD2-CG 3.6Å; L46-W86 HydrophobicContact CG-CD2 4.44Å; F70-W86 HydrophobicContact CD1-CE3 4.05Å; F70-W86 HydrophobicContact CD1-CZ3 4.43Å; F70-W86 HydrophobicContact CD2-CE3 4.19Å; F70-W86 HydrophobicContact CE1-CB 4.43Å; F70-W86 AromaticContact CE1-CE3 3.87Å; F70-W86 HydrophobicContact CE1-CE3 3.87Å; F70-W86 HydrophobicContact CE2-CB 4.35Å; F70-W86 HydrophobicContact CE2-CE3 4Å; F70-W86 HydrophobicContact CG-CE3 4.23Å; F70-W86 HydrophobicContact CG-CZ3 4.45Å; F70-W86 HydrophobicContact CZ-CB 3.75Å; F70-W86 HydrophobicContact CZ-CD2 4.47Å; F70-W86 AromaticContact CZ-CE3 3.86Å; F70-W86 HydrophobicContact CZ-CE3 3.86Å; F70-W86 HydrophobicContact CZ-CG 4.47Å; W86-Q88 VanDerWaalsContact CD1-O 3.25Å; W86-Q88 PolarHBondContact O-N 2.99Å; W86-F90 AromaticContact CD1-CE2 3.88Å; W86-V102 PolarHBondContact N-O 3.48Å | ||
| 87 | S | 85.8 | Confident | 72.3 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -61.2 | -21.1 | -167.7 | 53.7 | 0 | 0 | 0 | 0 | 115 | V14 L85 | V14-S87 WeakPolarHBondContact CG2-O 3.38Å; L85-S87 PolarHBondContact O-N 3.37Å |
| 88 | Q | 84.6 | Confident | 71 | Confident | 125 Ų | 125 | 73.4 Ų | 73.4 | 58% | 0.584 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -115.2 | 100.6 | 179.7 | -172.1 | -178.3 | 4.1 | 0 | 0 | 110.7 | W86 | W86-Q88 VanDerWaalsContact CD1-O 3.25Å; W86-Q88 PolarHBondContact O-N 2.99Å |
| 89 | P | 82.6 | Confident | 70.3 | Confident | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | trans | -62.4 | 146.6 | 175.3 | -21.1 | 33.1 | 0 | 0 | 0 | 111.6 | V14 V20 | V14-P89 HydrophobicContact CG1-CG 3.45Å; V14-P89 VanDerWaalsContact CG1-CG 3.45Å; V20-P89 HydrophobicContact CG1-CB 4.19Å; V20-P89 HydrophobicContact CG1-CG 4.28Å; V20-P89 HydrophobicContact CG2-CG 4.49Å | ||
| 90 | F | 83.7 | Confident | 69.5 | Low | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.6 | 179.2 | -63.5 | -94.3 | 0 | 0 | 0 | 110.3 | L46 L49 R50 L54 W86 F99 I100 V102 | L46-F90 HydrophobicContact CD2-CE2 3.68Å; L46-F90 HydrophobicContact CD2-CZ 3.82Å; L49-F90 HydrophobicContact CB-CD1 3.69Å; L49-F90 HydrophobicContact CB-CD2 4.36Å; L49-F90 HydrophobicContact CB-CE1 3.63Å; L49-F90 HydrophobicContact CB-CE2 4.3Å; L49-F90 HydrophobicContact CB-CG 4.07Å; L49-F90 HydrophobicContact CB-CZ 3.94Å; L49-F90 HydrophobicContact CD1-CD1 4.42Å; L49-F90 HydrophobicContact CD1-CD2 3.63Å; L49-F90 HydrophobicContact CD1-CE2 3.82Å; L49-F90 HydrophobicContact CD1-CG 3.96Å; L49-F90 HydrophobicContact CD1-CZ 4.29Å; R50-F90 HydrophobicContact CG-CE1 3.78Å; R50-F90 HydrophobicContact CG-CZ 4.18Å; L54-F90 HydrophobicContact CD1-CD1 3.79Å; L54-F90 HydrophobicContact CD1-CE1 4.17Å; L54-F90 HydrophobicContact CG-CD1 4.49Å; W86-F90 AromaticContact CD1-CE2 3.88Å; F90-F99 WeakPolarHBondContact O-CA 3.32Å; F90-I100 HydrophobicContact CB-CB 4.31Å; F90-I100 PolarHBondContact N-O 3.07Å; F90-I100 PolarHBondContact O-N 2.99Å; F90-V102 HydrophobicContact CD2-CG2 4.47Å; F90-V102 HydrophobicContact CE2-CG2 4.43Å |
| 91 | V | 79.1 | Confident | 69 | Low | 63 Ų | 63 | 62.5 Ų | 62.5 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 111.5 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | F99 | V91-F99 HydrophobicContact CB-CD1 4.18Å; V91-F99 HydrophobicContact CB-CE1 3.58Å; V91-F99 HydrophobicContact CB-CZ 3.74Å; V91-F99 HydrophobicContact CG1-CD1 4.41Å; V91-F99 HydrophobicContact CG1-CE1 3.58Å; V91-F99 HydrophobicContact CG1-CE2 3.85Å; V91-F99 HydrophobicContact CG1-CZ 3.15Å; V91-F99 HydrophobicContact CG2-CD1 3.79Å; V91-F99 HydrophobicContact CG2-CE1 3.06Å; V91-F99 HydrophobicContact CG2-CZ 3.63Å |
| 92 | L | 76.7 | Confident | 68.2 | Low | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.4 | -178.3 | -59.1 | -167.8 | 0 | 0 | 0 | 111.9 | V53 L54 I94 S98 I100 P254 L257 | V53-L92 HydrophobicContact CB-CD2 4.41Å; V53-L92 HydrophobicContact CG1-CD1 3.84Å; V53-L92 HydrophobicContact CG1-CD2 3.3Å; V53-L92 HydrophobicContact CG1-CG 4.23Å; L54-L92 HydrophobicContact CD2-CD2 4.27Å; L92-I94 VanDerWaalsContact C-N 3.26Å; L92-I94 HydrophobicContact CB-CD1 4.03Å; L92-I94 HydrophobicContact CB-CG1 3.85Å; L92-I94 HydrophobicContact CD1-CD1 4.46Å; L92-I94 PolarHBondContact O-N 3.19Å; L92-S98 PolarHBondContact N-O 2.97Å; L92-I100 HydrophobicContact CD1-CD1 3.31Å; L92-I100 HydrophobicContact CD1-CG1 3.75Å; L92-I100 HydrophobicContact CG-CD1 4.17Å; L92-I100 HydrophobicContact CG-CG1 4.24Å; L92-P254 HydrophobicContact CD1-CG 4.48Å; L92-L257 HydrophobicContact CD1-CD1 3.62Å |
| 93 | L | 66.8 | Low | 67.3 | Low | 155 Ų | 155 | 57.6 Ų | 57.6 | 81% | 0.812 | 29% | 0.291 | S | S | * | . | trans | -84.2 | 68.2 | 176.8 | -67.4 | 170.3 | 0 | 0 | 0 | 110.3 | ||||
| 94 | I | 61.2 | Low | 66.1 | Low | 40 Ų | 40 | 55.8 Ų | 55.8 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -80 | -38.6 | -179.9 | -53.7 | 163.8 | 0 | 0 | 0 | 110.1 | L92 P254 L257 | L92-I94 VanDerWaalsContact C-N 3.26Å; L92-I94 HydrophobicContact CB-CD1 4.03Å; L92-I94 HydrophobicContact CB-CG1 3.85Å; L92-I94 HydrophobicContact CD1-CD1 4.46Å; L92-I94 PolarHBondContact O-N 3.19Å; I94-P254 WeakPolarHBondContact CD1-O 3.26Å; I94-P254 HydrophobicContact CG1-CB 3.86Å; I94-P254 WeakPolarHBondContact CG1-O 3.45Å; I94-P254 WeakPolarHBondContact CG2-O 3.25Å; I94-L257 HydrophobicContact CD1-CB 3.97Å; I94-L257 HydrophobicContact CD1-CD1 3.4Å; I94-L257 HydrophobicContact CD1-CG 4.34Å; I94-L257 HydrophobicContact CG1-CD1 4.44Å |
| 95 | T | 49.5 | Very low | 64.4 | Low | 102 Ų | 102 | 52.6 Ų | 52.6 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -166 | 67.9 | 174.2 | 38.5 | 0 | 0 | 0 | 0 | 108.8 | R97 | T95-R97 PolarHBondContact O-N 2.79Š|
| 96 | F | 48.1 | Very low | 62.7 | Low | 197 Ų | 197 | 52.5 Ų | 52.5 | 86% | 0.864 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 54.9 | -2.7 | 178.5 | -76.6 | -82.9 | 0 | 0 | 0 | 118.9 | ||
| 97 | R | 48.7 | Very low | 60.5 | Low | 188 Ų | 188 | 50.5 Ų | 50.5 | 71% | 0.709 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -150.7 | 23.5 | -171.8 | -70.7 | -164.6 | 173 | 171 | -1.5 | 119.3 | S24 T95 | S24-R97 WeakPolarHBondContact CB-O 3.4Å; S24-R97 PolarHBondContact N-O 2.94Å; S24-R97 VanDerWaalsContact N-O 3.11Å; T95-R97 PolarHBondContact O-N 2.79Å |
| 98 | S | 48.1 | Very low | 58.2 | Low | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.3 | -167.5 | -49.5 | 0 | 0 | 0 | 0 | 116.5 | L92 I259 | L92-S98 PolarHBondContact N-O 2.97Å; S98-I259 WeakPolarHBondContact OG-CD1 3.34Å |
| 99 | F | 55.7 | Low | 56.1 | Low | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146.6 | -171.2 | -75.6 | -113 | 0 | 0 | 0 | 111.3 | S19 V20 K23 S24 S26 F90 V91 | S19-F99 WeakPolarHBondContact O-CE1 3.49Å; S19-F99 WeakPolarHBondContact O-CZ 3.35Å; V20-F99 HydrophobicContact CB-CD1 3.87Å; V20-F99 HydrophobicContact CB-CE1 3.82Å; V20-F99 HydrophobicContact CG1-CD1 3.83Å; V20-F99 HydrophobicContact CG1-CE1 3.61Å; K23-F99 HydrophobicContact CB-CD2 3.12Å; K23-F99 HydrophobicContact CB-CE2 3.08Å; K23-F99 HydrophobicContact CB-CG 4.11Å; K23-F99 HydrophobicContact CB-CZ 3.92Å; K23-F99 HydrophobicContact CD-CD2 4.08Å; K23-F99 HydrophobicContact CD-CE1 4.04Å; K23-F99 HydrophobicContact CD-CE2 3.13Å; K23-F99 HydrophobicContact CD-CZ 3.12Å; K23-F99 HydrophobicContact CG-CD2 3.86Å; K23-F99 HydrophobicContact CG-CE2 3.22Å; K23-F99 HydrophobicContact CG-CZ 3.82Å; S24-F99 PolarHBondContact O-N 3.44Å; S26-F99 WeakPolarHBondContact CA-O 3.3Å; S26-F99 VanDerWaalsContact CB-O 3.26Å; S26-F99 WeakPolarHBondContact CB-O 3.38Å; S26-F99 PolarHBondContact N-O 3.38Å; F90-F99 WeakPolarHBondContact O-CA 3.32Å; V91-F99 HydrophobicContact CB-CD1 4.18Å; V91-F99 HydrophobicContact CB-CE1 3.58Å; V91-F99 HydrophobicContact CB-CZ 3.74Å; V91-F99 HydrophobicContact CG1-CD1 4.41Å; V91-F99 HydrophobicContact CG1-CE1 3.58Å; V91-F99 HydrophobicContact CG1-CE2 3.85Å; V91-F99 HydrophobicContact CG1-CZ 3.15Å; V91-F99 HydrophobicContact CG2-CD1 3.79Å; V91-F99 HydrophobicContact CG2-CE1 3.06Å; V91-F99 HydrophobicContact CG2-CZ 3.63Å |
| 100 | I | 54.5 | Low | 54.1 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.7 | 167.7 | -52.5 | 179.1 | 0 | 0 | 0 | 109.6 | L49 F90 L92 V102 L257 | L49-I100 HydrophobicContact CD1-CD1 4.17Å; L49-I100 HydrophobicContact CD1-CG2 4.29Å; L49-I100 HydrophobicContact CD2-CD1 3.42Å; L49-I100 VanDerWaalsContact CD2-CD1 3.42Å; L49-I100 HydrophobicContact CG-CD1 4.45Å; F90-I100 HydrophobicContact CB-CB 4.31Å; F90-I100 PolarHBondContact N-O 3.07Å; F90-I100 PolarHBondContact O-N 2.99Å; L92-I100 HydrophobicContact CD1-CD1 3.31Å; L92-I100 HydrophobicContact CD1-CG1 3.75Å; L92-I100 HydrophobicContact CG-CD1 4.17Å; L92-I100 HydrophobicContact CG-CG1 4.24Å; I100-V102 HydrophobicContact CG2-CG2 3.88Å; I100-L257 HydrophobicContact CD1-CD1 3.41Å; I100-L257 VanDerWaalsContact CD1-CD1 3.41Å; I100-L257 HydrophobicContact CD1-CD2 3.58Å; I100-L257 HydrophobicContact CD1-CG 4.12Å; I100-L257 HydrophobicContact CG1-CD1 3.6Å; I100-L257 HydrophobicContact CG1-CD2 3.76Å; I100-L257 HydrophobicContact CG1-CG 4.28Å |
| 101 | I | 55.5 | Low | 52.5 | Low | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114 | 158.8 | -59.7 | -174.6 | 0 | 0 | 0 | 107.8 | L15 V25 S26 I27 V28 L85 L103 L272 | L15-I101 HydrophobicContact CD2-CD1 3.34Å; V25-I101 HydrophobicContact CG2-CB 4.27Å; V25-I101 HydrophobicContact CG2-CD1 3.3Å; V25-I101 HydrophobicContact CG2-CG1 3.57Å; S26-I101 PolarHBondContact O-N 2.91Å; I27-I101 WeakPolarHBondContact CA-O 3.3Å; I27-I101 HydrophobicContact CG1-CB 4.48Å; V28-I101 PolarHBondContact N-O 2.86Å; V28-I101 VanDerWaalsContact N-O 3.07Å; L85-I101 HydrophobicContact CD1-CG2 3.63Å; L85-I101 HydrophobicContact CD2-CG2 4.44Å; L85-I101 HydrophobicContact CG-CG2 3.81Å; I101-L103 HydrophobicContact CG2-CD2 3.54Å; I101-L103 HydrophobicContact CG2-CG 3.85Å; I101-L103 PolarHBondContact O-N 3.37Å; I101-L272 HydrophobicContact CD1-CD2 3.94Å |
| 102 | V | 52.5 | Low | 51.2 | Low | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 105.8 | 168.6 | -178 | 0 | 0 | 0 | 0 | 107.5 | L42 L49 F70 W86 F90 I100 | L42-V102 HydrophobicContact CD2-CG1 3.68Å; L49-V102 HydrophobicContact CD1-CG2 3.53Å; F70-V102 HydrophobicContact CE2-CG1 4.19Å; W86-V102 PolarHBondContact N-O 3.48Å; F90-V102 HydrophobicContact CD2-CG2 4.47Å; F90-V102 HydrophobicContact CE2-CG2 4.43Å; I100-V102 HydrophobicContact CG2-CG2 3.88Å |
| 103 | L | 53.2 | Low | 50.1 | Low | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137 | 174 | -67 | -174.6 | 0 | 0 | 0 | 110.5 | I27 V28 S29 L85 I101 L122 | I27-L103 HydrophobicContact CG2-CB 4.34Å; I27-L103 HydrophobicContact CG2-CD1 3.19Å; I27-L103 HydrophobicContact CG2-CG 3.68Å; V28-L103 PolarHBondContact O-N 3.41Å; S29-L103 WeakPolarHBondContact CA-O 3.4Å; L85-L103 HydrophobicContact CB-CD2 3.74Å; L85-L103 HydrophobicContact CD1-CD2 3.37Å; L85-L103 HydrophobicContact CG-CD2 3.52Å; I101-L103 HydrophobicContact CG2-CD2 3.54Å; I101-L103 HydrophobicContact CG2-CG 3.85Å; I101-L103 PolarHBondContact O-N 3.37Å; L103-L122 HydrophobicContact CD1-CD2 3.56Å |
| 104 | K | 51.3 | Low | 49.2 | Very low | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 97.3 | 169.2 | 177.4 | 170.7 | 172.4 | -170.2 | 0 | 108.4 | S39 L42 F70 S71 T80 V83 L84 | S39-K104 WeakPolarHBondContact OG-CE 3.47Å; S39-K104 PolarHBondContact OG-NZ 3.37Å; L42-K104 HydrophobicContact CD1-CB 3.53Å; L42-K104 HydrophobicContact CD1-CD 3.87Å; L42-K104 HydrophobicContact CD1-CG 3.5Å; L42-K104 VanDerWaalsContact CD1-CG 3.5Å; F70-K104 HydrophobicContact CB-CD 3.96Å; F70-K104 HydrophobicContact CD1-CB 4.18Å; F70-K104 HydrophobicContact CD1-CD 3.34Å; F70-K104 HydrophobicContact CD1-CG 4.41Å; F70-K104 HydrophobicContact CD2-CD 4.3Å; F70-K104 HydrophobicContact CE1-CB 3.7Å; F70-K104 HydrophobicContact CE1-CD 3.77Å; F70-K104 HydrophobicContact CE1-CG 4.41Å; F70-K104 HydrophobicContact CE2-CB 4.43Å; F70-K104 HydrophobicContact CG-CD 3.62Å; F70-K104 HydrophobicContact CZ-CB 3.82Å; F70-K104 HydrophobicContact CZ-CD 4.4Å; S71-K104 PolarHBondContact O-NZ 2.91Å; T80-K104 HydrophobicContact CG2-CD 4.42Å; T80-K104 WeakPolarHBondContact OG1-CE 3.33Å; T80-K104 PolarHBondContact OG1-NZ 3.44Å; V83-K104 CarbonylContact C-O 3.59Å; V83-K104 WeakPolarHBondContact CA-O 3.33Å; L84-K104 HydrophobicContact CB-CB 4.05Å; L84-K104 HydrophobicContact CB-CD 4.27Å; L84-K104 HydrophobicContact CB-CG 4.34Å; L84-K104 HydrophobicContact CD1-CD 4.11Å; L84-K104 PolarHBondContact N-O 2.85Å; L84-K104 CarbonylContact O-C 3.32Å; L84-K104 WeakPolarHBondContact O-CA 3.23Å; L84-K104 WeakPolarHBondContact O-CB 3.29Å; L84-K104 PolarHBondContact O-N 3.49Å; L84-K104 VanDerWaalsContact O-O 3.09Å |
| 105 | G | 44.4 | Very low | 48.7 | Very low | 8 Ų | 8 | 44.9 Ų | 44.9 | 8% | 0.082 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 129 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 106 | R | 45.7 | Very low | 48.8 | Very low | 38 Ų | 38 | 40 Ų | 40 | 14% | 0.143 | 19% | 0.187 | C | C | . | . | trans | -84 | 129.9 | 164.4 | -174.5 | -177.2 | 174.2 | 169.1 | -31 | 109.6 | T80 S81 G82 P108 L114 | T80-R106 WeakPolarHBondContact O-CD 3.4Å; T80-R106 VanDerWaalsContact O-CZ 3.23Å; T80-R106 PolarHBondContact O-NE 3.34Å; T80-R106 PolarHBondContact O-NH1 3.24Å; S81-R106 VanDerWaalsContact CB-NH1 3.25Å; G82-R106 WeakPolarHBondContact O-CB 3.42Å; G82-R106 PolarHBondContact O-N 3.44Å; R106-P108 HydrophobicContact CG-CG 3.78Å; R106-L114 HydrophobicContact CB-CD2 4.12Å; R106-L114 HydrophobicContact CG-CD2 4.49Å | ||
| 107 | C | 42.4 | Very low | 49.2 | Very low | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | trans | -116.7 | 101.9 | 162.7 | -150.5 | 0 | 0 | 0 | 0 | 107.4 | A31 C115 F144 | A31-C107 HydrophobicContact CB-CB 4.35Å; C107-C115 HydrophobicContact CB-CB 3.87Å; C107-C115 WeakPolarHBondContact CB-SG 3.44Å; C107-C115 WeakPolarHBondContact SG-CB 3.43Å; C107-C115 CovalentContact SG-SG 2.04Å; C107-C115 PolarHBondContact SG-SG 3.43Å; C107-F144 WeakPolarHBondContact SG-CZ 3.35Å | ||
| 108 | P | 38.8 | Very low | 49.8 | Very low | 11 Ų | 11 | 24.6 Ų | 24.6 | 7% | 0.071 | 12% | 0.124 | C | C | . | . | trans | -84.2 | 116.9 | 162.7 | -6.8 | 29.3 | 0 | 0 | 0 | 105.3 | R106 N110 S111 | R106-P108 HydrophobicContact CG-CG 3.78Å; P108-N110 PolarHBondContact O-N 2.98Å; P108-N110 VanDerWaalsContact O-N 3.13Å; P108-S111 WeakPolarHBondContact CB-OG 3.33Å; P108-S111 WeakPolarHBondContact CG-OG 3.27Å; P108-S111 CarbonylContact O-C 3.51Å; P108-S111 PolarHBondContact O-N 3.03Å | ||
| 109 | L | 40 | Very low | 50.3 | Low | 40 Ų | 40 | 24.7 Ų | 24.7 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -54.1 | -28.5 | 166.2 | -78.9 | 100.2 | 0 | 0 | 0 | 110.6 | A33 S111 H140 | A33-L109 HydrophobicContact CB-CD1 3.44Å; A33-L109 VanDerWaalsContact CB-CD1 3.44Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.29Å; L109-H140 VanDerWaalsContact CD2-CE1 3.47Å; L109-H140 WeakPolarHBondContact CD2-CE1 3.31Å |
| 110 | N | 40.2 | Very low | 50.4 | Low | 147 Ų | 147 | 24.6 Ų | 24.6 | 79% | 0.786 | 12% | 0.124 | S | C | * | . | G | 310 helix | trans | -85.1 | 1.2 | 179.7 | -59.1 | 11.2 | 0 | 0 | 0 | 114.2 | P108 | P108-N110 PolarHBondContact O-N 2.98Å; P108-N110 VanDerWaalsContact O-N 3.13Å |
| 111 | S | 50 | Low | 50.7 | Low | 43 Ų | 43 | 24.7 Ų | 24.7 | 30% | 0.301 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -139 | 70.1 | 167.7 | 76.2 | 0 | 0 | 0 | 0 | 108.4 | P108 L109 R113 L114 | P108-S111 WeakPolarHBondContact CB-OG 3.33Å; P108-S111 WeakPolarHBondContact CG-OG 3.27Å; P108-S111 CarbonylContact O-C 3.51Å; P108-S111 PolarHBondContact O-N 3.03Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.29Å; S111-R113 PolarHBondContact O-N 3.21Å; S111-L114 PolarHBondContact O-N 3.02Å; S111-L114 VanDerWaalsContact O-N 3.12Å |
| 112 | E | 51.3 | Low | 51.1 | Low | 49 Ų | 49 | 25 Ų | 25 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -36 | -41.5 | 178.7 | -63.4 | 172.6 | -179.9 | 0 | 0 | 111.8 | L114 L116 P291 | E112-L114 PolarHBondContact O-N 3.15Å; E112-L116 HydrophobicContact CB-CD1 4.35Å; E112-L116 WeakPolarHBondContact O-CD1 3.4Å; E112-L116 VanDerWaalsContact O-CG 3.24Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-P291 HydrophobicContact CB-CB 4.23Å |
| 113 | R | 53.9 | Low | 51.7 | Low | 72 Ų | 72 | 26.9 Ų | 26.9 | 27% | 0.272 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -51.6 | -40.4 | -177.8 | -59.4 | -178.9 | -173.3 | -136.5 | -9.4 | 116.3 | F4 S111 R117 E290 | F4-R113 HydrophobicContact CE2-CB 3.93Å; F4-R113 HydrophobicContact CZ-CB 3.62Å; S111-R113 PolarHBondContact O-N 3.21Å; R113-R117 VanDerWaalsContact O-CD 3.22Å; R113-R117 WeakPolarHBondContact O-CD 3.4Å; R113-R117 VanDerWaalsContact O-CG 3.32Å; R113-R117 WeakPolarHBondContact O-CG 3.46Å; R113-E290 IonicContact CZ-OE1 2.69Å; R113-E290 IonicContact CZ-OE2 2.65Å; R113-E290 IonicContact NH1-OE1 3.47Å; R113-E290 PolarHBondContact NH1-OE1 3.03Å; R113-E290 IonicContact NH1-OE2 3.11Å; R113-E290 IonicContact NH2-OE1 3.49Å; R113-E290 PolarHBondContact NH2-OE1 3.48Å; R113-E290 IonicContact NH2-OE2 2.99Å; R113-E290 PolarHBondContact NH2-OE2 3.4Å |
| 114 | L | 48.8 | Very low | 52.6 | Low | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -76.5 | -44.3 | -170.9 | -171.9 | 79.2 | 0 | 0 | 0 | 111.5 | F4 R106 S111 E112 R117 F118 | F4-L114 HydrophobicContact CD1-CD1 3.31Å; F4-L114 HydrophobicContact CE1-CB 3.86Å; F4-L114 HydrophobicContact CE1-CD1 3.27Å; F4-L114 HydrophobicContact CE1-CG 4.15Å; F4-L114 HydrophobicContact CG-CD1 4.4Å; F4-L114 HydrophobicContact CZ-CB 4.3Å; F4-L114 HydrophobicContact CZ-CD1 4.33Å; R106-L114 HydrophobicContact CB-CD2 4.12Å; R106-L114 HydrophobicContact CG-CD2 4.49Å; S111-L114 PolarHBondContact O-N 3.02Å; S111-L114 VanDerWaalsContact O-N 3.12Å; E112-L114 PolarHBondContact O-N 3.15Å; L114-R117 PolarHBondContact O-N 2.83Å; L114-F118 HydrophobicContact CD1-CD2 4.34Å; L114-F118 HydrophobicContact CD1-CE2 3.69Å; L114-F118 HydrophobicContact CG-CD2 4.32Å; L114-F118 HydrophobicContact CG-CE2 4.16Å; L114-F118 VanDerWaalsContact O-CD2 3.23Å; L114-F118 WeakPolarHBondContact O-CD2 3.44Å |
| 115 | C | 50.3 | Low | 53.7 | Low | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.2 | -39.6 | -170.3 | -163.9 | 0 | 0 | 0 | 0 | 112.2 | C107 R117 F118 F144 | C107-C115 HydrophobicContact CB-CB 3.87Å; C107-C115 WeakPolarHBondContact CB-SG 3.44Å; C107-C115 WeakPolarHBondContact SG-CB 3.43Å; C107-C115 CovalentContact SG-SG 2.04Å; C107-C115 PolarHBondContact SG-SG 3.43Å; C115-R117 PolarHBondContact O-N 3.34Å; C115-R117 VanDerWaalsContact O-N 3.1Å; C115-F118 PolarHBondContact O-N 3.46Å; C115-F144 HydrophobicContact CB-CD1 4.19Å; C115-F144 HydrophobicContact CB-CE1 3.69Å; C115-F144 HydrophobicContact CB-CZ 4Å |
| 116 | L | 51.2 | Low | 55.4 | Low | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -51.4 | -34.1 | 176.9 | -72.7 | 163.7 | 0 | 0 | 0 | 113.1 | E112 L143 F144 Y147 P291 | E112-L116 HydrophobicContact CB-CD1 4.35Å; E112-L116 WeakPolarHBondContact O-CD1 3.4Å; E112-L116 VanDerWaalsContact O-CG 3.24Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; L116-L143 VanDerWaalsContact CD2-C 3.42Å; L116-L143 HydrophobicContact CD2-CB 4.46Å; L116-L143 HydrophobicContact CD2-CD2 4.48Å; L116-L143 HydrophobicContact CD2-CG 3.83Å; L116-L143 WeakPolarHBondContact CD2-O 3.32Å; L116-F144 HydrophobicContact CB-CD1 4.32Å; L116-F144 VanDerWaalsContact CD2-CA 3.45Å; L116-F144 HydrophobicContact CD2-CB 4.43Å; L116-F144 HydrophobicContact CD2-CD1 3.4Å; L116-F144 VanDerWaalsContact CD2-CD1 3.4Å; L116-F144 HydrophobicContact CD2-CE1 4.06Å; L116-F144 HydrophobicContact CD2-CG 4.34Å; L116-F144 HydrophobicContact CG-CD1 3.55Å; L116-F144 HydrophobicContact CG-CE1 3.85Å; L116-Y147 HydrophobicContact CB-CD1 3.55Å; L116-Y147 HydrophobicContact CB-CD2 4.46Å; L116-Y147 HydrophobicContact CB-CE1 4.14Å; L116-Y147 HydrophobicContact CB-CG 3.72Å; L116-Y147 HydrophobicContact CD1-CD2 4.29Å; L116-Y147 HydrophobicContact CD1-CG 4.3Å; L116-Y147 VanDerWaalsContact CD2-CB 3.41Å; L116-Y147 HydrophobicContact CD2-CD2 4.42Å; L116-Y147 HydrophobicContact CD2-CG 3.93Å; L116-Y147 HydrophobicContact CG-CG 4.22Å; L116-P291 HydrophobicContact CD1-CB 3.49Å; L116-P291 VanDerWaalsContact CD1-CB 3.49Å; L116-P291 HydrophobicContact CD1-CG 3.06Å |
| 117 | R | 57.8 | Low | 57 | Low | 31 Ų | 31 | 26 Ų | 26 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -84.9 | -35.7 | -170.2 | -67.7 | 179.1 | 168.4 | -163.4 | -4.7 | 113 | F4 R113 L114 C115 Y147 F283 | F4-R117 VanDerWaalsContact CD2-NH1 3.34Å; R113-R117 VanDerWaalsContact O-CD 3.22Å; R113-R117 WeakPolarHBondContact O-CD 3.4Å; R113-R117 VanDerWaalsContact O-CG 3.32Å; R113-R117 WeakPolarHBondContact O-CG 3.46Å; L114-R117 PolarHBondContact O-N 2.83Å; C115-R117 PolarHBondContact O-N 3.34Å; C115-R117 VanDerWaalsContact O-N 3.1Å; R117-Y147 HydrophobicContact CG-CD1 4.35Å; R117-Y147 HydrophobicContact CG-CE1 3.66Å; R117-Y147 PolarHBondContact NE-OH 2.98Å; R117-Y147 PolarHBondContact NH2-OH 3.37Å; R117-Y147 VanDerWaalsContact NH2-OH 3.16Å; R117-F283 VanDerWaalsContact CA-CZ 3.46Å; R117-F283 HydrophobicContact CB-CD1 4.03Å; R117-F283 HydrophobicContact CB-CD2 3.56Å; R117-F283 HydrophobicContact CB-CE1 4Å; R117-F283 HydrophobicContact CB-CE2 3.54Å; R117-F283 HydrophobicContact CB-CG 3.83Å; R117-F283 HydrophobicContact CB-CZ 3.78Å; R117-F283 HydrophobicContact CG-CB 4.17Å; R117-F283 HydrophobicContact CG-CD1 3.45Å; R117-F283 VanDerWaalsContact CG-CD1 3.45Å; R117-F283 HydrophobicContact CG-CD2 3.85Å; R117-F283 HydrophobicContact CG-CE1 3.71Å; R117-F283 HydrophobicContact CG-CE2 4.1Å; R117-F283 HydrophobicContact CG-CG 3.54Å; R117-F283 HydrophobicContact CG-CZ 4.04Å; R117-F283 PolarHBondContact NH1-O 3.31Å; R117-F283 PolarHBondContact NH2-O 3.24Å; R117-F283 WeakPolarHBondContact O-CE2 3.06Å; R117-F283 WeakPolarHBondContact O-CZ 3.34Å |
| 118 | F | 61.1 | Low | 58.8 | Low | 31 Ų | 31 | 26.2 Ų | 26.2 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -87.4 | -15.4 | -172.9 | -73.1 | -78 | 0 | 0 | 0 | 114.5 | V83 L114 C115 V120 F121 L122 F276 M280 | V83-F118 HydrophobicContact CB-CD1 4.44Å; V83-F118 HydrophobicContact CB-CE1 4.44Å; V83-F118 HydrophobicContact CG2-CB 4.1Å; V83-F118 HydrophobicContact CG2-CD1 3.9Å; V83-F118 HydrophobicContact CG2-CD2 3.39Å; V83-F118 HydrophobicContact CG2-CE1 4.16Å; V83-F118 HydrophobicContact CG2-CE2 3.73Å; V83-F118 HydrophobicContact CG2-CG 3.51Å; V83-F118 HydrophobicContact CG2-CZ 4.09Å; L114-F118 HydrophobicContact CD1-CD2 4.34Å; L114-F118 HydrophobicContact CD1-CE2 3.69Å; L114-F118 HydrophobicContact CG-CD2 4.32Å; L114-F118 HydrophobicContact CG-CE2 4.16Å; L114-F118 VanDerWaalsContact O-CD2 3.23Å; L114-F118 WeakPolarHBondContact O-CD2 3.44Å; C115-F118 PolarHBondContact O-N 3.46Å; F118-V120 PolarHBondContact O-N 2.91Å; F118-F121 HydrophobicContact CB-CD2 4.49Å; F118-F121 AromaticContact CD1-CD2 3.93Å; F118-F121 HydrophobicContact CD1-CD2 3.93Å; F118-F121 AromaticContact CD1-CE2 3.89Å; F118-F121 HydrophobicContact CD1-CE2 3.89Å; F118-F121 HydrophobicContact CE1-CE2 4.37Å; F118-F121 WeakPolarHBondContact O-CD2 3.25Å; F118-F121 PolarHBondContact O-N 3.4Å; F118-F121 VanDerWaalsContact O-N 3.15Å; F118-L122 WeakPolarHBondContact O-CG 3.18Å; F118-F276 HydrophobicContact CD1-CE1 4.09Å; F118-F276 HydrophobicContact CE1-CD1 4.47Å; F118-F276 HydrophobicContact CE1-CE1 4.09Å; F118-M280 HydrophobicContact CE1-SD 4.37Å; F118-M280 HydrophobicContact CZ-SD 4.02Å |
| 119 | L | 57.2 | Low | 60.7 | Low | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -57.3 | -34.9 | 178.6 | -76.4 | 160.4 | 0 | 0 | 0 | 112.9 | F121 L122 Y125 F144 F159 | L119-F121 PolarHBondContact O-N 2.96Å; L119-F121 VanDerWaalsContact O-N 3.09Å; L119-L122 HydrophobicContact CD2-CD1 4.37Å; L119-L122 WeakPolarHBondContact O-CB 3.29Å; L119-L122 PolarHBondContact O-N 2.86Å; L119-Y125 HydrophobicContact CD2-CD1 4.25Å; L119-Y125 HydrophobicContact CD2-CD2 3.37Å; L119-Y125 HydrophobicContact CD2-CE1 4.08Å; L119-Y125 HydrophobicContact CD2-CE2 3.16Å; L119-Y125 HydrophobicContact CD2-CG 3.89Å; L119-Y125 HydrophobicContact CG-CE2 4.35Å; L119-F144 HydrophobicContact CD1-CB 3.29Å; L119-F144 HydrophobicContact CD1-CD1 4.25Å; L119-F144 HydrophobicContact CD1-CD2 4.48Å; L119-F144 HydrophobicContact CD1-CG 3.75Å; L119-F159 WeakPolarHBondContact O-CE1 3.27Å |
| 120 | V | 58 | Low | 62.5 | Low | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -49.1 | -37.3 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | F118 L122 G148 A151 L152 K260 Y279 F283 | F118-V120 PolarHBondContact O-N 2.91Å; V120-L122 VanDerWaalsContact C-N 3.34Å; V120-L122 PolarHBondContact O-N 3.38Å; V120-G148 VanDerWaalsContact CG2-CA 3.47Å; V120-G148 WeakPolarHBondContact CG2-O 3.44Å; V120-A151 HydrophobicContact CG2-CB 4.37Å; V120-L152 HydrophobicContact CB-CD1 4.46Å; V120-L152 HydrophobicContact CG1-CD1 3.85Å; V120-L152 HydrophobicContact CG1-CD2 3.53Å; V120-L152 HydrophobicContact CG1-CG 3.61Å; V120-L152 HydrophobicContact CG2-CD1 4.33Å; V120-L152 HydrophobicContact CG2-CG 4.25Å; V120-K260 PolarHBondContact O-NZ 3.3Å; V120-Y279 HydrophobicContact CB-CD2 4.5Å; V120-Y279 HydrophobicContact CG1-CD2 3.64Å; V120-Y279 HydrophobicContact CG1-CE1 4.26Å; V120-Y279 HydrophobicContact CG1-CE2 3.33Å; V120-Y279 HydrophobicContact CG1-CG 4.3Å; V120-F283 HydrophobicContact CG2-CZ 4.2Å |
| 121 | F | 60.5 | Low | 64.1 | Low | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.013 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -76.4 | -20.5 | -178.4 | -61.4 | -78.1 | 0 | 0 | 0 | 113.7 | I27 F118 L119 K260 L272 F276 Y279 | I27-F121 WeakPolarHBondContact CD1-O 3.37Å; F118-F121 HydrophobicContact CB-CD2 4.49Å; F118-F121 AromaticContact CD1-CD2 3.93Å; F118-F121 HydrophobicContact CD1-CD2 3.93Å; F118-F121 AromaticContact CD1-CE2 3.89Å; F118-F121 HydrophobicContact CD1-CE2 3.89Å; F118-F121 HydrophobicContact CE1-CE2 4.37Å; F118-F121 WeakPolarHBondContact O-CD2 3.25Å; F118-F121 PolarHBondContact O-N 3.4Å; F118-F121 VanDerWaalsContact O-N 3.15Å; L119-F121 PolarHBondContact O-N 2.96Å; L119-F121 VanDerWaalsContact O-N 3.09Å; F121-K260 VanDerWaalsContact C-NZ 3.34Å; F121-K260 WeakPolarHBondContact O-CD 3.43Å; F121-K260 WeakPolarHBondContact O-CE 3.34Å; F121-K260 PolarHBondContact O-NZ 3.41Å; F121-L272 HydrophobicContact CD1-CD1 4.31Å; F121-F276 HydrophobicContact CB-CZ 4.24Å; F121-F276 HydrophobicContact CD1-CD1 4.03Å; F121-F276 HydrophobicContact CD1-CD2 4.15Å; F121-F276 AromaticContact CD1-CE1 3.89Å; F121-F276 HydrophobicContact CD1-CE1 3.89Å; F121-F276 HydrophobicContact CD1-CE2 4.01Å; F121-F276 HydrophobicContact CD1-CG 4.15Å; F121-F276 AromaticContact CD1-CZ 3.88Å; F121-F276 HydrophobicContact CD1-CZ 3.88Å; F121-F276 HydrophobicContact CD2-CD1 4.21Å; F121-F276 AromaticContact CD2-CE1 3.72Å; F121-F276 HydrophobicContact CD2-CE1 3.72Å; F121-F276 HydrophobicContact CD2-CZ 4.21Å; F121-F276 VanDerWaalsContact CE1-CA 3.47Å; F121-F276 HydrophobicContact CE1-CB 4.11Å; F121-F276 AromaticContact CE1-CD1 3.51Å; F121-F276 HydrophobicContact CE1-CD1 3.51Å; F121-F276 AromaticContact CE1-CD2 3.98Å; F121-F276 HydrophobicContact CE1-CD2 3.98Å; F121-F276 AromaticContact CE1-CE1 3.84Å; F121-F276 HydrophobicContact CE1-CE1 3.84Å; F121-F276 HydrophobicContact CE1-CE2 4.28Å; F121-F276 AromaticContact CE1-CG 3.58Å; F121-F276 HydrophobicContact CE1-CG 3.58Å; F121-F276 HydrophobicContact CE1-CZ 4.21Å; F121-F276 AromaticContact CE2-CD1 3.75Å; F121-F276 HydrophobicContact CE2-CD1 3.75Å; F121-F276 AromaticContact CE2-CE1 3.71Å; F121-F276 HydrophobicContact CE2-CE1 3.71Å; F121-F276 HydrophobicContact CG-CD1 4.33Å; F121-F276 AromaticContact CG-CE1 3.8Å; F121-F276 HydrophobicContact CG-CE1 3.8Å; F121-F276 HydrophobicContact CG-CE2 4.41Å; F121-F276 AromaticContact CG-CZ 3.84Å; F121-F276 HydrophobicContact CG-CZ 3.84Å; F121-F276 HydrophobicContact CZ-CB 4.28Å; F121-F276 AromaticContact CZ-CD1 3.33Å; F121-F276 HydrophobicContact CZ-CD1 3.33Å; F121-F276 AromaticContact CZ-CE1 3.73Å; F121-F276 HydrophobicContact CZ-CE1 3.73Å; F121-F276 AromaticContact CZ-CG 3.84Å; F121-F276 HydrophobicContact CZ-CG 3.84Å; F121-Y279 HydrophobicContact CD1-CD2 4.06Å; F121-Y279 HydrophobicContact CD1-CE2 4.37Å; F121-Y279 AromaticContact CE1-CD2 3.37Å; F121-Y279 HydrophobicContact CE1-CD2 3.37Å; F121-Y279 HydrophobicContact CE1-CE2 4.02Å; F121-Y279 HydrophobicContact CE1-CG 4.38Å; F121-Y279 HydrophobicContact CE2-CD2 4.14Å; F121-Y279 AromaticContact CZ-CD2 3.43Å; F121-Y279 HydrophobicContact CZ-CD2 3.43Å; F121-Y279 VanDerWaalsContact CZ-CD2 3.43Å; F121-Y279 HydrophobicContact CZ-CE2 4.46Å; F121-Y279 HydrophobicContact CZ-CG 4.09Å |
| 122 | L | 64.5 | Low | 65.1 | Low | 9 Ų | 9 | 25.1 Ų | 25.1 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | trans | -93 | 128 | -162.3 | -51.5 | 177.2 | 0 | 0 | 0 | 109.6 | I27 S29 L103 F118 L119 V120 Y125 F159 | I27-L122 HydrophobicContact CG2-CD2 3.57Å; S29-L122 WeakPolarHBondContact OG-CD1 3.47Å; L103-L122 HydrophobicContact CD1-CD2 3.56Å; F118-L122 WeakPolarHBondContact O-CG 3.18Å; L119-L122 HydrophobicContact CD2-CD1 4.37Å; L119-L122 WeakPolarHBondContact O-CB 3.29Å; L119-L122 PolarHBondContact O-N 2.86Å; V120-L122 VanDerWaalsContact C-N 3.34Å; V120-L122 PolarHBondContact O-N 3.38Å; L122-Y125 HydrophobicContact CD1-CD2 3.66Å; L122-Y125 HydrophobicContact CD1-CE2 4.17Å; L122-F159 WeakPolarHBondContact O-CD1 3.44Å | ||
| 123 | R | 66.1 | Low | 66.2 | Low | 42 Ų | 42 | 24.3 Ų | 24.3 | 16% | 0.158 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -90 | -42 | 171.4 | -170.3 | 57.1 | 174.2 | 172 | 2.7 | 111 | K157 P158 Q160 V258 K260 | R123-K157 PolarHBondContact NH1-O 3.15Å; R123-P158 VanDerWaalsContact NH1-C 3.27Å; R123-P158 PolarHBondContact NH1-O 2.85Å; R123-Q160 WeakPolarHBondContact O-CA 3.24Å; R123-Q160 VanDerWaalsContact O-CB 3.26Å; R123-Q160 WeakPolarHBondContact O-CB 3.5Å; R123-Q160 PolarHBondContact O-N 2.99Å; R123-V258 HydrophobicContact CG-CB 4.26Å; R123-V258 HydrophobicContact CG-CG1 3.64Å; R123-K260 HydrophobicContact CB-CD 3.91Å |
| 124 | R | 71.5 | Confident | 67.5 | Low | 30 Ų | 30 | 26.2 Ų | 26.2 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.1 | 172.3 | -177.4 | 161.9 | -76.3 | 158.7 | -0.5 | 110.1 | I27 S29 I251 N256 | I27-R124 PolarHBondContact O-N 2.96Å; S29-R124 PolarHBondContact N-O 2.88Å; R124-I251 PolarHBondContact NH1-O 3.31Å; R124-N256 PolarHBondContact NH1-O 3.13Å; R124-N256 PolarHBondContact NH2-O 3.45Å |
| 125 | Y | 74.5 | Confident | 68.9 | Low | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.9 | -180 | 178.9 | -99.7 | 0 | 0 | 0 | 110.4 | A31 L119 L122 Y127 L141 Q160 V161 S162 | A31-Y125 HydrophobicContact CB-CD2 4.38Å; A31-Y125 HydrophobicContact CB-CE2 3.32Å; A31-Y125 VanDerWaalsContact CB-OH 3.25Å; A31-Y125 WeakPolarHBondContact CB-OH 3.41Å; L119-Y125 HydrophobicContact CD2-CD1 4.25Å; L119-Y125 HydrophobicContact CD2-CD2 3.37Å; L119-Y125 HydrophobicContact CD2-CE1 4.08Å; L119-Y125 HydrophobicContact CD2-CE2 3.16Å; L119-Y125 HydrophobicContact CD2-CG 3.89Å; L119-Y125 HydrophobicContact CG-CE2 4.35Å; L122-Y125 HydrophobicContact CD1-CD2 3.66Å; L122-Y125 HydrophobicContact CD1-CE2 4.17Å; Y125-Y127 AromaticContact CE1-CD2 4Å; Y125-Y127 HydrophobicContact CE1-CD2 4Å; Y125-Y127 AromaticContact CE1-CG 3.91Å; Y125-Y127 HydrophobicContact CE1-CG 3.91Å; Y125-L141 HydrophobicContact CE1-CD1 4.22Å; Y125-Q160 PolarHBondContact N-O 3.3Å; Y125-V161 HydrophobicContact CD1-CG2 3.81Å; Y125-V161 HydrophobicContact CG-CG2 4.3Å; Y125-V161 WeakPolarHBondContact O-CA 3.32Å; Y125-S162 PolarHBondContact O-N 2.92Å |
| 126 | I | 80.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 107 | 175.7 | -61.3 | 164.9 | 0 | 0 | 0 | 107.9 | V28 S29 V30 A31 F45 N128 S162 L164 F247 I251 | V28-I126 HydrophobicContact CG1-CD1 3.97Å; S29-I126 WeakPolarHBondContact O-CB 3.33Å; S29-I126 PolarHBondContact O-N 2.92Å; V30-I126 WeakPolarHBondContact CA-O 3.1Å; V30-I126 HydrophobicContact CG1-CG2 4.4Å; V30-I126 HydrophobicContact CG2-CB 4.08Å; V30-I126 HydrophobicContact CG2-CD1 4.02Å; V30-I126 HydrophobicContact CG2-CG2 4.35Å; A31-I126 PolarHBondContact N-O 2.99Å; F45-I126 HydrophobicContact CE2-CD1 3.56Å; F45-I126 HydrophobicContact CZ-CD1 3.64Å; I126-N128 PolarHBondContact O-N 3.41Å; I126-S162 CarbonylContact C-O 3.6Å; I126-S162 WeakPolarHBondContact CA-O 3.36Å; I126-L164 HydrophobicContact CG2-CB 3.67Å; I126-L164 HydrophobicContact CG2-CD2 4.17Å; I126-F247 HydrophobicContact CD1-CZ 4.33Å; I126-F247 HydrophobicContact CG2-CZ 4.26Å; I126-I251 HydrophobicContact CD1-CD1 4.45Å; I126-I251 HydrophobicContact CD1-CG1 4.3Å; I126-I251 HydrophobicContact CD1-CG2 3.81Å |
| 127 | Y | 78.4 | Confident | 71.7 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 101.1 | 177.2 | -165.8 | -156.7 | 0 | 0 | 0 | 109.4 | Y125 L129 D137 L141 S162 F163 L164 | Y125-Y127 AromaticContact CE1-CD2 4Å; Y125-Y127 HydrophobicContact CE1-CD2 4Å; Y125-Y127 AromaticContact CE1-CG 3.91Å; Y125-Y127 HydrophobicContact CE1-CG 3.91Å; Y127-L129 HydrophobicContact CD1-CD1 3.98Å; Y127-L129 HydrophobicContact CD1-CD2 4.06Å; Y127-L129 HydrophobicContact CD1-CG 4.04Å; Y127-L129 HydrophobicContact CD2-CD2 4.24Å; Y127-L129 HydrophobicContact CE1-CD1 4.03Å; Y127-L129 HydrophobicContact CE1-CD2 3.65Å; Y127-L129 HydrophobicContact CE1-CG 4.11Å; Y127-L129 HydrophobicContact CE2-CD2 3.82Å; Y127-L129 HydrophobicContact CG-CD2 4.33Å; Y127-L129 HydrophobicContact CG-CG 4.27Å; Y127-L129 PolarHBondContact O-N 3.2Å; Y127-D137 HydrophobicContact CE1-CB 4.15Å; Y127-D137 PolarHBondContact OH-O 2.89Å; Y127-L141 HydrophobicContact CD1-CD1 4.46Å; Y127-L141 HydrophobicContact CD1-CD2 4.39Å; Y127-L141 HydrophobicContact CE1-CB 4.25Å; Y127-S162 PolarHBondContact N-O 3.47Å; Y127-F163 AromaticContact CD1-CD1 3.8Å; Y127-F163 HydrophobicContact CD1-CD1 3.8Å; Y127-F163 AromaticContact CD1-CE1 3.62Å; Y127-F163 HydrophobicContact CD1-CE1 3.62Å; Y127-F163 HydrophobicContact CE1-CE1 4.34Å; Y127-F163 HydrophobicContact CG-CD1 4.49Å; Y127-L164 PolarHBondContact O-N 3.38Å |
| 128 | N | 81.5 | Confident | 72.7 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 102.5 | -176 | -178.2 | 77.1 | 0 | 0 | 0 | 110.7 | V30 A31 R36 K38 I126 L164 | V30-N128 HydrophobicContact CG1-CB 3.9Å; A31-N128 WeakPolarHBondContact O-CB 3.43Å; A31-N128 PolarHBondContact O-N 3.08Å; R36-N128 WeakPolarHBondContact CB-ND2 3.48Å; R36-N128 PolarHBondContact O-ND2 3.26Å; K38-N128 HydrophobicContact CG-CB 4.26Å; I126-N128 PolarHBondContact O-N 3.41Å; N128-L164 WeakPolarHBondContact CA-O 3.47Å; N128-L164 WeakPolarHBondContact OD1-CD2 3.48Å |
| 129 | L | 78.2 | Confident | 73.7 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 159.8 | -179.8 | -64.2 | 177.8 | 0 | 0 | 0 | 110.6 | Y127 I133 D137 F163 L164 S166 | Y127-L129 HydrophobicContact CD1-CD1 3.98Å; Y127-L129 HydrophobicContact CD1-CD2 4.06Å; Y127-L129 HydrophobicContact CD1-CG 4.04Å; Y127-L129 HydrophobicContact CD2-CD2 4.24Å; Y127-L129 HydrophobicContact CE1-CD1 4.03Å; Y127-L129 HydrophobicContact CE1-CD2 3.65Å; Y127-L129 HydrophobicContact CE1-CG 4.11Å; Y127-L129 HydrophobicContact CE2-CD2 3.82Å; Y127-L129 HydrophobicContact CG-CD2 4.33Å; Y127-L129 HydrophobicContact CG-CG 4.27Å; Y127-L129 PolarHBondContact O-N 3.2Å; L129-I133 HydrophobicContact CD1-CB 4.29Å; L129-I133 HydrophobicContact CD1-CG1 3.84Å; L129-I133 HydrophobicContact CD1-CG2 4.17Å; L129-D137 HydrophobicContact CD1-CB 4.19Å; L129-D137 HydrophobicContact CD2-CB 3.92Å; L129-D137 VanDerWaalsContact CD2-CG 3.45Å; L129-D137 VanDerWaalsContact CD2-OD1 3.31Å; L129-D137 WeakPolarHBondContact CD2-OD1 3.14Å; L129-F163 HydrophobicContact CD1-CD1 3.93Å; L129-F163 HydrophobicContact CD1-CE1 4.47Å; L129-L164 PolarHBondContact N-O 2.84Å; L129-S166 PolarHBondContact O-N 2.91Å |
| 130 | S | 76.9 | Confident | 74.7 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.7 | -179.3 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | R36 N132 | R36-S130 VanDerWaalsContact CZ-CB 3.45Å; R36-S130 PolarHBondContact NH1-OG 2.92Å; S130-N132 VanDerWaalsContact C-N 3.26Å; S130-N132 PolarHBondContact O-N 2.68Å |
| 131 | Q | 73.6 | Confident | 75.6 | Confident | 105 Ų | 105 | 34.1 Ų | 34.1 | 49% | 0.491 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 70.1 | -67.1 | -179.9 | -49.7 | -176.2 | -5.4 | 0 | 0 | 113.7 | N165 S166 L167 V168 | Q131-N165 VanDerWaalsContact C-OD1 3.24Å; Q131-N165 PolarHBondContact O-ND2 3.21Å; Q131-N165 PolarHBondContact O-OD1 3.16Å; Q131-S166 VanDerWaalsContact CA-O 3.31Å; Q131-S166 WeakPolarHBondContact CA-O 3.35Å; Q131-S166 PolarHBondContact N-O 3.09Å; Q131-L167 VanDerWaalsContact O-CD2 3.28Å; Q131-L167 WeakPolarHBondContact O-CD2 3.46Å; Q131-V168 HydrophobicContact CG-CB 3.9Å; Q131-V168 HydrophobicContact CG-CG2 3.52Å |
| 132 | N | 71 | Confident | 76.5 | Confident | 79 Ų | 79 | 36.9 Ų | 36.9 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -142 | 159.1 | -174.8 | -155.9 | 15.9 | 0 | 0 | 0 | 110.7 | S130 Q134 N165 | S130-N132 VanDerWaalsContact C-N 3.26Å; S130-N132 PolarHBondContact O-N 2.68Å; N132-Q134 PolarHBondContact O-N 3.3Å; N132-N165 PolarHBondContact N-OD1 2.8Å |
| 133 | I | 76 | Confident | 77.2 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | trans | -83 | 111.2 | 167.1 | -54.2 | 178.9 | 0 | 0 | 0 | 106.1 | L129 L138 F163 | L129-I133 HydrophobicContact CD1-CB 4.29Å; L129-I133 HydrophobicContact CD1-CG1 3.84Å; L129-I133 HydrophobicContact CD1-CG2 4.17Å; I133-L138 HydrophobicContact CG2-CD1 4.49Å; I133-L138 HydrophobicContact CG2-CD2 3.82Å; I133-L138 HydrophobicContact CG2-CG 4.04Å; I133-F163 HydrophobicContact CD1-CB 4.42Å; I133-F163 HydrophobicContact CD1-CD1 4.35Å; I133-F163 HydrophobicContact CD1-CG 4.46Å | ||
| 134 | Q | 79.4 | Confident | 77.5 | Confident | 111 Ų | 111 | 37.9 Ų | 37.9 | 52% | 0.519 | 19% | 0.186 | S | C | . | . | trans | -95.7 | 162.7 | 177.7 | -54.7 | -169.9 | -88.2 | 0 | 0 | 110.5 | N132 D136 D137 L138 | N132-Q134 PolarHBondContact O-N 3.3Å; Q134-D136 VanDerWaalsContact C-N 3.27Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.42Å; Q134-D136 PolarHBondContact O-N 2.9Å; Q134-D137 PolarHBondContact N-OD2 3.33Å; Q134-D137 WeakPolarHBondContact O-CB 3.03Å; Q134-D137 PolarHBondContact O-N 3.48Å; Q134-L138 PolarHBondContact O-N 2.86Å | ||
| 135 | E | 79.9 | Confident | 77.6 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.6 | -31.6 | 179.5 | -63.7 | -62.5 | 156.2 | 0 | 0 | 111.7 | L138 Q139 L197 R201 | E135-L138 PolarHBondContact O-N 3.34Å; E135-Q139 WeakPolarHBondContact O-CG 3.14Å; E135-Q139 PolarHBondContact O-N 3.37Å; E135-L197 HydrophobicContact CG-CD2 4.18Å; E135-R201 IonicContact OE1-CZ 2.75Å; E135-R201 IonicContact OE1-NH1 3.71Å; E135-R201 PolarHBondContact OE1-NH1 2.63Å; E135-R201 IonicContact OE1-NH2 2.61Å; E135-R201 PolarHBondContact OE1-NH2 3.39Å; E135-R201 IonicContact OE2-CZ 3.03Å; E135-R201 IonicContact OE2-NH1 3.56Å; E135-R201 PolarHBondContact OE2-NH1 3.35Å; E135-R201 IonicContact OE2-NH2 2.72Å; E135-R201 PolarHBondContact OE2-NH2 3.46Å |
| 136 | D | 80.3 | Confident | 77.6 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.342 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 173.6 | 59.7 | -56.6 | 0 | 0 | 0 | 111.5 | Q134 L138 Q139 H140 | Q134-D136 VanDerWaalsContact C-N 3.27Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.42Å; Q134-D136 PolarHBondContact O-N 2.9Å; D136-L138 VanDerWaalsContact C-N 3.26Å; D136-L138 PolarHBondContact O-N 3.49Å; D136-Q139 PolarHBondContact O-N 2.75Å; D136-H140 PolarHBondContact O-N 3.04Å; D136-H140 PolarHBondContact O-ND1 2.88Å |
| 137 | D | 78.6 | Confident | 77.3 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 172.8 | -65.1 | -49.6 | 0 | 0 | 0 | 111.6 | Y127 L129 Q134 L141 | Y127-D137 HydrophobicContact CE1-CB 4.15Å; Y127-D137 PolarHBondContact OH-O 2.89Å; L129-D137 HydrophobicContact CD1-CB 4.19Å; L129-D137 HydrophobicContact CD2-CB 3.92Å; L129-D137 VanDerWaalsContact CD2-CG 3.45Å; L129-D137 VanDerWaalsContact CD2-OD1 3.31Å; L129-D137 WeakPolarHBondContact CD2-OD1 3.14Å; Q134-D137 PolarHBondContact N-OD2 3.33Å; Q134-D137 WeakPolarHBondContact O-CB 3.03Å; Q134-D137 PolarHBondContact O-N 3.48Å; D137-L141 WeakPolarHBondContact O-CB 3.26Å; D137-L141 PolarHBondContact O-N 3.42Å |
| 138 | L | 80.2 | Confident | 76.8 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.7 | -41.6 | 177.8 | -62.3 | -177.7 | 0 | 0 | 0 | 111.5 | I133 Q134 E135 D136 L141 Q142 F163 L186 L200 I204 | I133-L138 HydrophobicContact CG2-CD1 4.49Å; I133-L138 HydrophobicContact CG2-CD2 3.82Å; I133-L138 HydrophobicContact CG2-CG 4.04Å; Q134-L138 PolarHBondContact O-N 2.86Å; E135-L138 PolarHBondContact O-N 3.34Å; D136-L138 VanDerWaalsContact C-N 3.26Å; D136-L138 PolarHBondContact O-N 3.49Å; L138-L141 CarbonylContact O-C 3.59Å; L138-L141 WeakPolarHBondContact O-CB 3.27Å; L138-L141 PolarHBondContact O-N 3.29Å; L138-L141 VanDerWaalsContact O-N 3.17Å; L138-Q142 PolarHBondContact O-N 3.08Å; L138-F163 HydrophobicContact CD2-CE1 4.2Å; L138-F163 HydrophobicContact CD2-CZ 4.29Å; L138-L186 HydrophobicContact CD2-CD2 4.23Å; L138-L200 HydrophobicContact CB-CD1 4.36Å; L138-L200 HydrophobicContact CB-CD2 3.72Å; L138-L200 HydrophobicContact CB-CG 4.16Å; L138-I204 HydrophobicContact CB-CD1 3.88Å; L138-I204 HydrophobicContact CD2-CD1 3.89Å; L138-I204 HydrophobicContact CG-CD1 4.37Å |
| 139 | Q | 80.7 | Confident | 76.4 | Confident | 59 Ų | 59 | 44 Ų | 44 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.9 | -73.6 | 178 | -12.8 | 0 | 0 | 111.7 | E135 D136 L141 Q142 L143 L200 | E135-Q139 WeakPolarHBondContact O-CG 3.14Å; E135-Q139 PolarHBondContact O-N 3.37Å; D136-Q139 PolarHBondContact O-N 2.75Å; Q139-L141 VanDerWaalsContact C-N 3.33Å; Q139-L141 PolarHBondContact O-N 2.84Å; Q139-Q142 PolarHBondContact O-N 3.13Å; Q139-L143 PolarHBondContact O-N 3.48Å; Q139-L200 HydrophobicContact CG-CD1 4.48Å; Q139-L200 HydrophobicContact CG-CD2 3.93Å |
| 140 | H | 78.3 | Confident | 76.2 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 172.7 | -69.5 | 109.2 | 0 | 0 | 0 | 110.7 | L109 D136 Q142 L143 F144 | L109-H140 VanDerWaalsContact CD2-CE1 3.47Å; L109-H140 WeakPolarHBondContact CD2-CE1 3.31Å; D136-H140 PolarHBondContact O-N 3.04Å; D136-H140 PolarHBondContact O-ND1 2.88Å; H140-Q142 VanDerWaalsContact C-N 3.34Å; H140-Q142 PolarHBondContact O-N 3.44Å; H140-L143 PolarHBondContact O-N 3.25Å; H140-F144 HydrophobicContact CB-CD2 4.34Å; H140-F144 HydrophobicContact CB-CE2 3.82Å; H140-F144 HydrophobicContact CB-CZ 4.29Å; H140-F144 WeakPolarHBondContact O-CB 3.47Å; H140-F144 WeakPolarHBondContact O-CD2 3.48Å; H140-F144 WeakPolarHBondContact O-CG 3.36Å; H140-F144 PolarHBondContact O-N 3.36Å |
| 141 | L | 77.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 177 | -172.5 | 64.3 | 0 | 0 | 0 | 112.9 | Y125 Y127 D137 L138 Q139 F144 T145 F163 I204 F208 | Y125-L141 HydrophobicContact CE1-CD1 4.22Å; Y127-L141 HydrophobicContact CD1-CD1 4.46Å; Y127-L141 HydrophobicContact CD1-CD2 4.39Å; Y127-L141 HydrophobicContact CE1-CB 4.25Å; D137-L141 WeakPolarHBondContact O-CB 3.26Å; D137-L141 PolarHBondContact O-N 3.42Å; L138-L141 CarbonylContact O-C 3.59Å; L138-L141 WeakPolarHBondContact O-CB 3.27Å; L138-L141 PolarHBondContact O-N 3.29Å; L138-L141 VanDerWaalsContact O-N 3.17Å; Q139-L141 VanDerWaalsContact C-N 3.33Å; Q139-L141 PolarHBondContact O-N 2.84Å; L141-F144 VanDerWaalsContact O-CB 3.3Å; L141-F144 WeakPolarHBondContact O-CB 3.5Å; L141-F144 PolarHBondContact O-N 3.43Å; L141-T145 WeakPolarHBondContact O-CG2 3.28Å; L141-T145 PolarHBondContact O-N 3.48Å; L141-T145 PolarHBondContact O-OG1 2.88Å; L141-T145 VanDerWaalsContact O-OG1 3.05Å; L141-F163 HydrophobicContact CD2-CE1 3.78Å; L141-F163 HydrophobicContact CD2-CE2 4.48Å; L141-F163 HydrophobicContact CD2-CZ 3.42Å; L141-F163 VanDerWaalsContact CD2-CZ 3.42Å; L141-I204 HydrophobicContact CD2-CD1 4.37Å; L141-I204 HydrophobicContact CD2-CG2 4.27Å; L141-F208 HydrophobicContact CD1-CE2 4.39Å; L141-F208 HydrophobicContact CD1-CZ 4.09Å; L141-F208 HydrophobicContact CD2-CE2 4.02Å; L141-F208 HydrophobicContact CD2-CZ 4.48Å; L141-F208 HydrophobicContact CG-CE2 4.19Å; L141-F208 HydrophobicContact CG-CZ 4.37Å |
| 142 | Q | 79.8 | Confident | 75.3 | Confident | 61 Ų | 61 | 43.9 Ų | 43.9 | 29% | 0.285 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -48 | 174.2 | 164.5 | 173.3 | 48.2 | 0 | 0 | 111.7 | L138 Q139 H140 F144 T145 E146 L200 H203 | L138-Q142 PolarHBondContact O-N 3.08Å; Q139-Q142 PolarHBondContact O-N 3.13Å; H140-Q142 VanDerWaalsContact C-N 3.34Å; H140-Q142 PolarHBondContact O-N 3.44Å; Q142-F144 PolarHBondContact O-N 3.22Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.5Å; Q142-T145 PolarHBondContact O-N 3.34Å; Q142-T145 PolarHBondContact O-OG1 2.89Å; Q142-E146 PolarHBondContact O-N 2.78Å; Q142-L200 HydrophobicContact CB-CD1 3.54Å; Q142-L200 HydrophobicContact CG-CD1 4.2Å; Q142-H203 VanDerWaalsContact CG-CD2 3.46Å; Q142-H203 WeakPolarHBondContact CG-CD2 3.36Å |
| 143 | L | 78.3 | Confident | 74.9 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -43 | 177.7 | -176.3 | 65.1 | 0 | 0 | 0 | 110.6 | L116 Q139 H140 Y147 | L116-L143 VanDerWaalsContact CD2-C 3.42Å; L116-L143 HydrophobicContact CD2-CB 4.46Å; L116-L143 HydrophobicContact CD2-CD2 4.48Å; L116-L143 HydrophobicContact CD2-CG 3.83Å; L116-L143 WeakPolarHBondContact CD2-O 3.32Å; Q139-L143 PolarHBondContact O-N 3.48Å; H140-L143 PolarHBondContact O-N 3.25Å; L143-Y147 WeakPolarHBondContact O-CB 3.28Å; L143-Y147 PolarHBondContact O-N 3.37Å |
| 144 | F | 73.1 | Confident | 74 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.8 | -47.4 | 173.7 | -78.1 | -19.5 | 0 | 0 | 0 | 113.8 | C107 C115 L116 L119 H140 L141 Q142 G148 | C107-F144 WeakPolarHBondContact SG-CZ 3.35Å; C115-F144 HydrophobicContact CB-CD1 4.19Å; C115-F144 HydrophobicContact CB-CE1 3.69Å; C115-F144 HydrophobicContact CB-CZ 4Å; L116-F144 HydrophobicContact CB-CD1 4.32Å; L116-F144 VanDerWaalsContact CD2-CA 3.45Å; L116-F144 HydrophobicContact CD2-CB 4.43Å; L116-F144 HydrophobicContact CD2-CD1 3.4Å; L116-F144 VanDerWaalsContact CD2-CD1 3.4Å; L116-F144 HydrophobicContact CD2-CE1 4.06Å; L116-F144 HydrophobicContact CD2-CG 4.34Å; L116-F144 HydrophobicContact CG-CD1 3.55Å; L116-F144 HydrophobicContact CG-CE1 3.85Å; L119-F144 HydrophobicContact CD1-CB 3.29Å; L119-F144 HydrophobicContact CD1-CD1 4.25Å; L119-F144 HydrophobicContact CD1-CD2 4.48Å; L119-F144 HydrophobicContact CD1-CG 3.75Å; H140-F144 HydrophobicContact CB-CD2 4.34Å; H140-F144 HydrophobicContact CB-CE2 3.82Å; H140-F144 HydrophobicContact CB-CZ 4.29Å; H140-F144 WeakPolarHBondContact O-CB 3.47Å; H140-F144 WeakPolarHBondContact O-CD2 3.48Å; H140-F144 WeakPolarHBondContact O-CG 3.36Å; H140-F144 PolarHBondContact O-N 3.36Å; L141-F144 VanDerWaalsContact O-CB 3.3Å; L141-F144 WeakPolarHBondContact O-CB 3.5Å; L141-F144 PolarHBondContact O-N 3.43Å; Q142-F144 PolarHBondContact O-N 3.22Å; F144-G148 PolarHBondContact O-N 3.25Å |
| 145 | T | 72.7 | Confident | 73 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.6 | -38.9 | 179.6 | 45.6 | 0 | 0 | 0 | 0 | 113.4 | L141 Q142 G148 R149 F159 H203 C207 F208 | L141-T145 WeakPolarHBondContact O-CG2 3.28Å; L141-T145 PolarHBondContact O-N 3.48Å; L141-T145 PolarHBondContact O-OG1 2.88Å; L141-T145 VanDerWaalsContact O-OG1 3.05Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.5Å; Q142-T145 PolarHBondContact O-N 3.34Å; Q142-T145 PolarHBondContact O-OG1 2.89Å; T145-G148 PolarHBondContact O-N 3.14Å; T145-R149 WeakPolarHBondContact O-CB 3.32Å; T145-R149 PolarHBondContact O-N 3.46Å; T145-F159 HydrophobicContact CG2-CD2 4.46Å; T145-H203 PolarHBondContact OG1-NE2 3.41Å; T145-C207 VanDerWaalsContact CB-SG 3.6Å; T145-C207 HydrophobicContact CG2-CB 3.81Å; T145-F208 HydrophobicContact CG2-CE1 4.03Å; T145-F208 HydrophobicContact CG2-CE2 3.6Å; T145-F208 HydrophobicContact CG2-CZ 3.15Å |
| 146 | E | 75.3 | Confident | 72 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.3 | -79.5 | -63.4 | 178.3 | 0 | 0 | 111.7 | Q142 G148 R149 L150 H203 | Q142-E146 PolarHBondContact O-N 2.78Å; E146-G148 VanDerWaalsContact C-N 3.33Å; E146-G148 PolarHBondContact O-N 3.49Å; E146-R149 CarbonylContact O-C 3.59Å; E146-R149 WeakPolarHBondContact O-CB 3.35Å; E146-R149 PolarHBondContact O-N 2.86Å; E146-R149 VanDerWaalsContact O-N 3.14Å; E146-L150 WeakPolarHBondContact O-CG 3.36Å; E146-L150 PolarHBondContact O-N 3.09Å; E146-H203 WeakPolarHBondContact CG-CE1 3.46Å; E146-H203 IonicContact OE1-CE1 3.68Å; E146-H203 PolarHBondContact OE1-CE1 2.96Å; E146-H203 IonicContact OE1-ND1 2.9Å; E146-H203 PolarHBondContact OE1-ND1 3.35Å; E146-H203 IonicContact OE1-NE2 2.79Å |
| 147 | Y | 73 | Confident | 71.2 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.5 | -162.2 | -88.4 | 0 | 0 | 0 | 112 | L116 R117 L143 R149 L150 A151 F283 L288 P289 P291 | L116-Y147 HydrophobicContact CB-CD1 3.55Å; L116-Y147 HydrophobicContact CB-CD2 4.46Å; L116-Y147 HydrophobicContact CB-CE1 4.14Å; L116-Y147 HydrophobicContact CB-CG 3.72Å; L116-Y147 HydrophobicContact CD1-CD2 4.29Å; L116-Y147 HydrophobicContact CD1-CG 4.3Å; L116-Y147 VanDerWaalsContact CD2-CB 3.41Å; L116-Y147 HydrophobicContact CD2-CD2 4.42Å; L116-Y147 HydrophobicContact CD2-CG 3.93Å; L116-Y147 HydrophobicContact CG-CG 4.22Å; R117-Y147 HydrophobicContact CG-CD1 4.35Å; R117-Y147 HydrophobicContact CG-CE1 3.66Å; R117-Y147 PolarHBondContact NE-OH 2.98Å; R117-Y147 PolarHBondContact NH2-OH 3.37Å; R117-Y147 VanDerWaalsContact NH2-OH 3.16Å; L143-Y147 WeakPolarHBondContact O-CB 3.28Å; L143-Y147 PolarHBondContact O-N 3.37Å; Y147-R149 VanDerWaalsContact C-N 3.28Å; Y147-R149 PolarHBondContact O-N 3.1Å; Y147-L150 PolarHBondContact O-N 2.79Å; Y147-A151 PolarHBondContact O-N 3.29Å; Y147-F283 HydrophobicContact CD1-CE1 4.12Å; Y147-F283 AromaticContact CE1-CD1 3.8Å; Y147-F283 HydrophobicContact CE1-CD1 3.8Å; Y147-F283 AromaticContact CE1-CE1 3.62Å; Y147-F283 HydrophobicContact CE1-CE1 3.62Å; Y147-L288 HydrophobicContact CE1-CD1 3.99Å; Y147-L288 HydrophobicContact CE2-CB 4.3Å; Y147-P289 VanDerWaalsContact CE2-O 3.31Å; Y147-P289 WeakPolarHBondContact CE2-O 3.44Å; Y147-P291 HydrophobicContact CD2-CG 4.09Å; Y147-P291 HydrophobicContact CE2-CG 3.79Å |
| 148 | G | 69 | Low | 70.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V120 F144 T145 E146 L152 | V120-G148 VanDerWaalsContact CG2-CA 3.47Å; V120-G148 WeakPolarHBondContact CG2-O 3.44Å; F144-G148 PolarHBondContact O-N 3.25Å; T145-G148 PolarHBondContact O-N 3.14Å; E146-G148 VanDerWaalsContact C-N 3.33Å; E146-G148 PolarHBondContact O-N 3.49Å; G148-L152 WeakPolarHBondContact O-CB 3.45Å; G148-L152 WeakPolarHBondContact O-CG 3.41Å; G148-L152 PolarHBondContact O-N 3.07Å |
| 149 | R | 72.9 | Confident | 69.2 | Low | 97 Ų | 97 | 55.1 Ų | 55.1 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 175.4 | -171.2 | -177.3 | -177.2 | -172.8 | -0 | 112.2 | T145 E146 Y147 A151 L152 N155 | T145-R149 WeakPolarHBondContact O-CB 3.32Å; T145-R149 PolarHBondContact O-N 3.46Å; E146-R149 CarbonylContact O-C 3.59Å; E146-R149 WeakPolarHBondContact O-CB 3.35Å; E146-R149 PolarHBondContact O-N 2.86Å; E146-R149 VanDerWaalsContact O-N 3.14Å; Y147-R149 VanDerWaalsContact C-N 3.28Å; Y147-R149 PolarHBondContact O-N 3.1Å; R149-A151 PolarHBondContact O-N 2.97Å; R149-L152 CarbonylContact O-C 3.58Å; R149-L152 VanDerWaalsContact O-C 3.26Å; R149-L152 PolarHBondContact O-N 3.5Å; R149-N155 PolarHBondContact NH2-OD1 3.18Å |
| 150 | L | 72.9 | Confident | 68.1 | Low | 100 Ų | 100 | 53.7 Ų | 53.7 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -31.9 | 176.1 | -71.6 | 173 | 0 | 0 | 0 | 112.5 | E146 Y147 L152 L288 P289 | E146-L150 WeakPolarHBondContact O-CG 3.36Å; E146-L150 PolarHBondContact O-N 3.09Å; Y147-L150 PolarHBondContact O-N 2.79Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L288 HydrophobicContact CB-CD2 3.69Å; L150-P289 HydrophobicContact CD1-CG 4.02Å |
| 151 | A | 66.8 | Low | 67 | Low | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -16.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V120 Y147 R149 F283 L288 | V120-A151 HydrophobicContact CG2-CB 4.37Å; Y147-A151 PolarHBondContact O-N 3.29Å; R149-A151 PolarHBondContact O-N 2.97Å; A151-F283 HydrophobicContact CB-CE1 3.65Å; A151-F283 HydrophobicContact CB-CZ 3.85Å; A151-L288 HydrophobicContact CB-CD1 4.17Å |
| 152 | L | 65.8 | Low | 66 | Low | 22 Ų | 22 | 52.1 Ų | 52.1 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -109.1 | 97.8 | 176.9 | -73 | 173.9 | 0 | 0 | 0 | 107.7 | V120 G148 R149 L150 D154 P158 F159 Y279 | V120-L152 HydrophobicContact CB-CD1 4.46Å; V120-L152 HydrophobicContact CG1-CD1 3.85Å; V120-L152 HydrophobicContact CG1-CD2 3.53Å; V120-L152 HydrophobicContact CG1-CG 3.61Å; V120-L152 HydrophobicContact CG2-CD1 4.33Å; V120-L152 HydrophobicContact CG2-CG 4.25Å; G148-L152 WeakPolarHBondContact O-CB 3.45Å; G148-L152 WeakPolarHBondContact O-CG 3.41Å; G148-L152 PolarHBondContact O-N 3.07Å; R149-L152 CarbonylContact O-C 3.58Å; R149-L152 VanDerWaalsContact O-C 3.26Å; R149-L152 PolarHBondContact O-N 3.5Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 3.36Å; L152-P158 HydrophobicContact CD1-CB 3.73Å; L152-P158 HydrophobicContact CD1-CG 4.12Å; L152-F159 HydrophobicContact CD1-CZ 4.1Å; L152-Y279 HydrophobicContact CD2-CE1 4.15Å; L152-Y279 WeakPolarHBondContact CD2-OH 3.12Å |
| 153 | E | 61.8 | Low | 64.9 | Low | 194 Ų | 194 | 49.2 Ų | 49.2 | 91% | 0.907 | 25% | 0.247 | S | C | * | . | trans | -59.6 | 9.7 | 179.6 | -63 | 179.4 | 170.2 | 0 | 0 | 115 | ||||
| 154 | D | 58.9 | Low | 63.8 | Low | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | trans | -109.2 | 136.7 | -172.5 | -72.1 | -61.1 | 0 | 0 | 0 | 113.1 | L152 V156 N263 | L152-D154 PolarHBondContact O-N 3.36Å; D154-V156 PolarHBondContact O-N 3.44Å; D154-N263 PolarHBondContact OD2-ND2 3.45Å; D154-N263 PolarHBondContact OD2-OD1 3.23Å | ||
| 155 | N | 56.7 | Low | 62.9 | Low | 141 Ų | 141 | 45.9 Ų | 45.9 | 75% | 0.754 | 23% | 0.23 | S | C | * | . | trans | -81.3 | 10.4 | 177.6 | -79 | -46.7 | 0 | 0 | 0 | 114.4 | R149 | R149-N155 PolarHBondContact NH2-OD1 3.18Š| ||
| 156 | V | 60.2 | Low | 62 | Low | 93 Ų | 93 | 47 Ų | 47 | 56% | 0.564 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -83.2 | 132.6 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | D154 P158 | D154-V156 PolarHBondContact O-N 3.44Å; V156-P158 WeakPolarHBondContact O-CD 3.47Å; V156-P158 WeakPolarHBondContact O-CG 3.3Å |
| 157 | K | 62.7 | Low | 60.8 | Low | 93 Ų | 93 | 44.9 Ų | 44.9 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | trans | -50.3 | 103.6 | 174.7 | -65.8 | -153.5 | 177 | -169.7 | 0 | 110.6 | R123 F159 S205 T206 F208 T209 | R123-K157 PolarHBondContact NH1-O 3.15Å; K157-F159 VanDerWaalsContact C-N 3.3Å; K157-F159 PolarHBondContact O-N 3.33Å; K157-S205 PolarHBondContact NZ-O 2.93Å; K157-T206 VanDerWaalsContact CD-O 3.27Å; K157-T206 WeakPolarHBondContact CD-O 3.24Å; K157-T206 WeakPolarHBondContact CE-O 3.39Å; K157-T206 VanDerWaalsContact CG-O 3.25Å; K157-T206 WeakPolarHBondContact CG-O 3.36Å; K157-F208 WeakPolarHBondContact CD-O 3.41Å; K157-F208 PolarHBondContact NZ-O 3.43Å; K157-T209 HydrophobicContact CB-CG2 3.53Å; K157-T209 HydrophobicContact CD-CG2 4.22Å; K157-T209 HydrophobicContact CG-CG2 4.44Å | ||
| 158 | P | 54.6 | Low | 59.4 | Low | 25 Ų | 25 | 47.9 Ų | 47.9 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | trans | -78.6 | -17.3 | -159.6 | 2 | 6.8 | 0 | 0 | 0 | 113.3 | R123 L152 V156 C207 | R123-P158 VanDerWaalsContact NH1-C 3.27Å; R123-P158 PolarHBondContact NH1-O 2.85Å; L152-P158 HydrophobicContact CD1-CB 3.73Å; L152-P158 HydrophobicContact CD1-CG 4.12Å; V156-P158 WeakPolarHBondContact O-CD 3.47Å; V156-P158 WeakPolarHBondContact O-CG 3.3Å; P158-C207 VanDerWaalsContact CD-O 3.26Å; P158-C207 WeakPolarHBondContact CD-O 3.41Å | ||
| 159 | F | 62.7 | Low | 58.1 | Low | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 161.6 | -158.3 | -50.7 | -56.8 | 0 | 0 | 0 | 114.2 | L119 L122 T145 L152 K157 F208 T209 | L119-F159 WeakPolarHBondContact O-CE1 3.27Å; L122-F159 WeakPolarHBondContact O-CD1 3.44Å; T145-F159 HydrophobicContact CG2-CD2 4.46Å; L152-F159 HydrophobicContact CD1-CZ 4.1Å; K157-F159 VanDerWaalsContact C-N 3.3Å; K157-F159 PolarHBondContact O-N 3.33Å; F159-F208 HydrophobicContact CB-CD1 3.28Å; F159-F208 HydrophobicContact CB-CE1 3.28Å; F159-F208 HydrophobicContact CD2-CD1 4.44Å; F159-F208 AromaticContact CD2-CE1 3.87Å; F159-F208 HydrophobicContact CD2-CE1 3.87Å; F159-F208 HydrophobicContact CG-CD1 4.32Å; F159-F208 AromaticContact CG-CE1 3.91Å; F159-F208 HydrophobicContact CG-CE1 3.91Å; F159-F208 CarbonylContact O-C 3.5Å; F159-F208 WeakPolarHBondContact O-CA 3.48Å; F159-T209 PolarHBondContact O-N 3.06Å; F159-T209 PolarHBondContact O-OG1 2.98Å |
| 160 | Q | 56.2 | Low | 56.5 | Low | 29 Ų | 29 | 59.4 Ų | 59.4 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.8 | 158.5 | -67.7 | 178.7 | -15.2 | 0 | 0 | 108.3 | R123 Y125 T209 D210 | R123-Q160 WeakPolarHBondContact O-CA 3.24Å; R123-Q160 VanDerWaalsContact O-CB 3.26Å; R123-Q160 WeakPolarHBondContact O-CB 3.5Å; R123-Q160 PolarHBondContact O-N 2.99Å; Y125-Q160 PolarHBondContact N-O 3.3Å; Q160-T209 WeakPolarHBondContact CG-OG1 3.44Å; Q160-D210 HydrophobicContact CG-CB 4.37Å |
| 161 | V | 56.4 | Low | 55.1 | Low | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134 | 178.4 | 166.2 | 0 | 0 | 0 | 0 | 112 | Y125 F163 F208 D210 I211 S212 | Y125-V161 HydrophobicContact CD1-CG2 3.81Å; Y125-V161 HydrophobicContact CG-CG2 4.3Å; Y125-V161 WeakPolarHBondContact O-CA 3.32Å; V161-F163 HydrophobicContact CG1-CD2 3.78Å; V161-F163 HydrophobicContact CG1-CE2 3.62Å; V161-F163 HydrophobicContact CG1-CG 4.33Å; V161-F163 HydrophobicContact CG1-CZ 4.07Å; V161-F208 HydrophobicContact CB-CD1 3.8Å; V161-F208 HydrophobicContact CB-CD2 4.35Å; V161-F208 HydrophobicContact CB-CE1 4.02Å; V161-F208 HydrophobicContact CB-CE2 4.48Å; V161-F208 HydrophobicContact CB-CG 4.02Å; V161-F208 HydrophobicContact CB-CZ 4.33Å; V161-F208 HydrophobicContact CG2-CD1 3.21Å; V161-F208 HydrophobicContact CG2-CD2 4.18Å; V161-F208 HydrophobicContact CG2-CE1 2.97Å; V161-F208 HydrophobicContact CG2-CE2 3.94Å; V161-F208 HydrophobicContact CG2-CG 3.86Å; V161-F208 HydrophobicContact CG2-CZ 3.36Å; V161-D210 PolarHBondContact N-O 3.39Å; V161-I211 WeakPolarHBondContact O-CA 3.45Å; V161-S212 PolarHBondContact O-N 3.39Å |
| 162 | S | 56 | Low | 53.9 | Low | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 114.5 | 166.6 | -61.2 | 0 | 0 | 0 | 0 | 108.2 | Y125 I126 Y127 L164 S212 | Y125-S162 PolarHBondContact O-N 2.92Å; I126-S162 CarbonylContact C-O 3.6Å; I126-S162 WeakPolarHBondContact CA-O 3.36Å; Y127-S162 PolarHBondContact N-O 3.47Å; S162-L164 PolarHBondContact O-N 3.29Å; S162-S212 CarbonylContact C-O 3.26Å; S162-S212 WeakPolarHBondContact CA-O 3.47Å; S162-S212 WeakPolarHBondContact CA-OG 3.46Å; S162-S212 WeakPolarHBondContact CB-OG 3.5Å; S162-S212 PolarHBondContact OG-OG 2.83Å |
| 163 | F | 55.8 | Low | 52.7 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120.6 | 171.4 | -68.8 | -92.4 | 0 | 0 | 0 | 108.6 | Y127 L129 I133 L138 L141 V161 L186 I211 S212 C213 F214 | Y127-F163 AromaticContact CD1-CD1 3.8Å; Y127-F163 HydrophobicContact CD1-CD1 3.8Å; Y127-F163 AromaticContact CD1-CE1 3.62Å; Y127-F163 HydrophobicContact CD1-CE1 3.62Å; Y127-F163 HydrophobicContact CE1-CE1 4.34Å; Y127-F163 HydrophobicContact CG-CD1 4.49Å; L129-F163 HydrophobicContact CD1-CD1 3.93Å; L129-F163 HydrophobicContact CD1-CE1 4.47Å; I133-F163 HydrophobicContact CD1-CB 4.42Å; I133-F163 HydrophobicContact CD1-CD1 4.35Å; I133-F163 HydrophobicContact CD1-CG 4.46Å; L138-F163 HydrophobicContact CD2-CE1 4.2Å; L138-F163 HydrophobicContact CD2-CZ 4.29Å; L141-F163 HydrophobicContact CD2-CE1 3.78Å; L141-F163 HydrophobicContact CD2-CE2 4.48Å; L141-F163 HydrophobicContact CD2-CZ 3.42Å; L141-F163 VanDerWaalsContact CD2-CZ 3.42Å; V161-F163 HydrophobicContact CG1-CD2 3.78Å; V161-F163 HydrophobicContact CG1-CE2 3.62Å; V161-F163 HydrophobicContact CG1-CG 4.33Å; V161-F163 HydrophobicContact CG1-CZ 4.07Å; F163-L186 HydrophobicContact CD2-CD1 3.9Å; F163-L186 HydrophobicContact CE2-CD1 3.89Å; F163-L186 HydrophobicContact CE2-CD2 4.35Å; F163-L186 HydrophobicContact CZ-CD2 4.38Å; F163-I211 HydrophobicContact CD2-CG2 3.87Å; F163-I211 HydrophobicContact CE2-CG2 3.59Å; F163-S212 PolarHBondContact N-O 3.25Å; F163-C213 HydrophobicContact CB-CB 4.31Å; F163-C213 CarbonylContact O-C 3.42Å; F163-C213 WeakPolarHBondContact O-CA 3.37Å; F163-F214 PolarHBondContact O-N 3.42Å |
| 164 | L | 55.3 | Low | 51.9 | Low | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 106.3 | 170.3 | 179.8 | 65 | 0 | 0 | 0 | 107.4 | M41 I126 Y127 N128 L129 S162 F214 M216 F247 | M41-L164 HydrophobicContact CE-CD2 4.03Å; M41-L164 HydrophobicContact CG-CD2 4.12Å; M41-L164 HydrophobicContact SD-CD2 4.38Å; I126-L164 HydrophobicContact CG2-CB 3.67Å; I126-L164 HydrophobicContact CG2-CD2 4.17Å; Y127-L164 PolarHBondContact O-N 3.38Å; N128-L164 WeakPolarHBondContact CA-O 3.47Å; N128-L164 WeakPolarHBondContact OD1-CD2 3.48Å; L129-L164 PolarHBondContact N-O 2.84Å; S162-L164 PolarHBondContact O-N 3.29Å; L164-F214 HydrophobicContact CD1-CB 4.11Å; L164-F214 HydrophobicContact CD1-CD1 3.84Å; L164-F214 HydrophobicContact CD1-CG 4.37Å; L164-M216 HydrophobicContact CD1-CB 3.96Å; L164-M216 HydrophobicContact CD1-CE 4.12Å; L164-F247 HydrophobicContact CB-CZ 4.35Å; L164-F247 HydrophobicContact CD1-CD1 4.34Å; L164-F247 HydrophobicContact CD1-CD2 4.32Å; L164-F247 HydrophobicContact CD1-CE1 3.95Å; L164-F247 HydrophobicContact CD1-CE2 3.93Å; L164-F247 HydrophobicContact CD1-CZ 3.74Å; L164-F247 HydrophobicContact CD2-CE1 3.81Å; L164-F247 HydrophobicContact CD2-CZ 3.88Å; L164-F247 HydrophobicContact CG-CE1 4.47Å; L164-F247 HydrophobicContact CG-CZ 4.21Å |
| 165 | N | 54.9 | Low | 51.3 | Low | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.1 | -179.7 | -173.5 | 16.1 | 0 | 0 | 0 | 109.7 | Q131 N132 L167 F214 L215 M216 | Q131-N165 VanDerWaalsContact C-OD1 3.24Å; Q131-N165 PolarHBondContact O-ND2 3.21Å; Q131-N165 PolarHBondContact O-OD1 3.16Å; N132-N165 PolarHBondContact N-OD1 2.8Å; N165-L167 PolarHBondContact O-N 3.12Å; N165-F214 PolarHBondContact N-O 3.14Å; N165-L215 HydrophobicContact CB-CD2 3.9Å; N165-M216 PolarHBondContact O-N 3.36Å |
| 166 | S | 53.6 | Low | 50.9 | Low | 24 Ų | 24 | 51.3 Ų | 51.3 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 104.5 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 110 | L129 Q131 M216 | L129-S166 PolarHBondContact O-N 2.91Å; Q131-S166 VanDerWaalsContact CA-O 3.31Å; Q131-S166 WeakPolarHBondContact CA-O 3.35Å; Q131-S166 PolarHBondContact N-O 3.09Å; S166-M216 CarbonylContact C-O 3.52Å; S166-M216 WeakPolarHBondContact CA-O 3.35Å |
| 167 | L | 49.5 | Very low | 50.2 | Low | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | trans | -79.2 | 130.9 | -179.7 | -81.2 | 140.7 | 0 | 0 | 0 | 111.2 | Q131 N165 K169 L171 L215 M216 H218 | Q131-L167 VanDerWaalsContact O-CD2 3.28Å; Q131-L167 WeakPolarHBondContact O-CD2 3.46Å; N165-L167 PolarHBondContact O-N 3.12Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-L171 HydrophobicContact CB-CD1 4Å; L167-L171 HydrophobicContact CD1-CD1 3.58Å; L167-L171 HydrophobicContact CD2-CD1 3.95Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L215 HydrophobicContact CD1-CB 3.61Å; L167-L215 HydrophobicContact CD1-CD1 3.56Å; L167-L215 HydrophobicContact CD1-CD2 3.57Å; L167-L215 HydrophobicContact CD1-CG 3.74Å; L167-M216 PolarHBondContact N-O 3.13Å; L167-H218 PolarHBondContact O-N 2.65Å | ||
| 168 | V | 45.3 | Very low | 49.4 | Very low | 72 Ų | 72 | 55.4 Ų | 55.4 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | trans | -86.9 | -4.7 | 176.8 | 167.3 | 0 | 0 | 0 | 0 | 112.3 | Q131 | Q131-V168 HydrophobicContact CG-CB 3.9Å; Q131-V168 HydrophobicContact CG-CG2 3.52Å | ||
| 169 | K | 40.2 | Very low | 48.9 | Very low | 172 Ų | 172 | 55.9 Ų | 55.9 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -101.5 | 136.4 | -179.1 | -78.3 | -176.9 | 175.3 | -179.2 | 0 | 111.7 | L167 L171 | L167-K169 VanDerWaalsContact C-N 3.34Å; K169-L171 PolarHBondContact O-N 2.81Å |
| 170 | N | 39.9 | Very low | 48.2 | Very low | 167 Ų | 167 | 56.7 Ų | 56.7 | 89% | 0.893 | 31% | 0.306 | S | S | * | . | trans | -55.4 | 75.9 | 168.9 | -64.6 | -15.5 | 0 | 0 | 0 | 110.6 | ||||
| 171 | L | 44.4 | Very low | 47.7 | Very low | 47 Ų | 47 | 62.4 Ų | 62.4 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | trans | -73.6 | 125.9 | 170.2 | -78.7 | 150.7 | 0 | 0 | 0 | 107 | L167 K169 L175 I176 | L167-L171 HydrophobicContact CB-CD1 4Å; L167-L171 HydrophobicContact CD1-CD1 3.58Å; L167-L171 HydrophobicContact CD2-CD1 3.95Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; K169-L171 PolarHBondContact O-N 2.81Å; L171-L175 HydrophobicContact CD2-CB 4.07Å; L171-L175 HydrophobicContact CD2-CD2 3.32Å; L171-L175 HydrophobicContact CD2-CG 4.26Å; L171-I176 HydrophobicContact CB-CD1 4.02Å; L171-I176 HydrophobicContact CB-CG1 3.7Å | ||
| 172 | T | 40.7 | Very low | 47.3 | Very low | 98 Ų | 98 | 63.5 Ų | 63.5 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | trans | -62 | 140.5 | 171.9 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | P174 L175 | T172-P174 VanDerWaalsContact C-N 3.25Å; T172-P174 VanDerWaalsContact O-CD 3.31Å; T172-P174 WeakPolarHBondContact O-CD 3.36Å; T172-L175 PolarHBondContact O-N 3.42Å | ||
| 173 | A | 41.6 | Very low | 47.1 | Very low | 42 Ų | 42 | 70.4 Ų | 70.4 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -43 | -37.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L175 I176 E177 | A173-L175 VanDerWaalsContact C-N 3.35Å; A173-L175 PolarHBondContact O-N 2.79Å; A173-I176 PolarHBondContact O-N 2.98Å; A173-E177 PolarHBondContact O-N 2.83Å |
| 174 | P | 45 | Very low | 46.9 | Very low | 92 Ų | 92 | 73.4 Ų | 73.4 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.7 | -34.3 | 179.2 | -17.8 | 30.4 | 0 | 0 | 0 | 113.5 | T172 I176 E178 | T172-P174 VanDerWaalsContact C-N 3.25Å; T172-P174 VanDerWaalsContact O-CD 3.31Å; T172-P174 WeakPolarHBondContact O-CD 3.36Å; P174-I176 VanDerWaalsContact C-N 3.31Å; P174-I176 PolarHBondContact O-N 2.86Å; P174-E178 PolarHBondContact O-N 3.31Å |
| 175 | L | 45.4 | Very low | 46.8 | Very low | 77 Ų | 77 | 79.6 Ų | 79.6 | 40% | 0.403 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.2 | -28 | -178.9 | -136.7 | 83.1 | 0 | 0 | 0 | 111.5 | L171 T172 A173 L179 | L171-L175 HydrophobicContact CD2-CB 4.07Å; L171-L175 HydrophobicContact CD2-CD2 3.32Å; L171-L175 HydrophobicContact CD2-CG 4.26Å; T172-L175 PolarHBondContact O-N 3.42Å; A173-L175 VanDerWaalsContact C-N 3.35Å; A173-L175 PolarHBondContact O-N 2.79Å; L175-L179 HydrophobicContact CB-CD1 4.48Å; L175-L179 HydrophobicContact CD2-CD1 3.86Å; L175-L179 HydrophobicContact CG-CD1 3.92Å; L175-L179 VanDerWaalsContact O-CB 3.29Å; L175-L179 WeakPolarHBondContact O-CB 3.4Å; L175-L179 VanDerWaalsContact O-CD1 3.31Å; L175-L179 WeakPolarHBondContact O-CD1 3.34Å; L175-L179 WeakPolarHBondContact O-CG 3.12Å; L175-L179 PolarHBondContact O-N 3.47Å; L175-L179 VanDerWaalsContact O-N 3.11Å |
| 176 | I | 48 | Very low | 46.8 | Very low | 6 Ų | 6 | 81 Ų | 81 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71.4 | -40.3 | -179.1 | -58.3 | 177.3 | 0 | 0 | 0 | 110.9 | L171 A173 P174 S180 E239 Q243 | L171-I176 HydrophobicContact CB-CD1 4.02Å; L171-I176 HydrophobicContact CB-CG1 3.7Å; A173-I176 PolarHBondContact O-N 2.98Å; P174-I176 VanDerWaalsContact C-N 3.31Å; P174-I176 PolarHBondContact O-N 2.86Å; I176-S180 VanDerWaalsContact O-CB 3.29Å; I176-S180 WeakPolarHBondContact O-CB 3.44Å; I176-S180 PolarHBondContact O-N 3.04Å; I176-S180 PolarHBondContact O-OG 3.28Å; I176-E239 HydrophobicContact CD1-CG 4.43Å; I176-Q243 HydrophobicContact CG2-CG 4.28Å |
| 177 | E | 45.6 | Very low | 46.9 | Very low | 118 Ų | 118 | 85.4 Ų | 85.4 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.6 | -37.6 | 176.5 | -77.4 | 177.7 | -177.5 | 0 | 0 | 112.2 | A173 S180 | A173-E177 PolarHBondContact O-N 2.83Å; E177-S180 PolarHBondContact O-OG 2.94Å; E177-S180 VanDerWaalsContact O-OG 3.13Å |
| 178 | E | 45.9 | Very low | 46.9 | Very low | 154 Ų | 154 | 90 Ų | 90 | 72% | 0.72 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.9 | -31.3 | 179.7 | -145.1 | 174.5 | -161.6 | 0 | 0 | 112.6 | P174 | P174-E178 PolarHBondContact O-N 3.31Å |
| 179 | L | 45.3 | Very low | 47.2 | Very low | 35 Ų | 35 | 88.5 Ų | 88.5 | 18% | 0.183 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -89.3 | -22.8 | -178 | -79.1 | 157.1 | 0 | 0 | 0 | 114.6 | L175 I181 S182 L215 | L175-L179 HydrophobicContact CB-CD1 4.48Å; L175-L179 HydrophobicContact CD2-CD1 3.86Å; L175-L179 HydrophobicContact CG-CD1 3.92Å; L175-L179 VanDerWaalsContact O-CB 3.29Å; L175-L179 WeakPolarHBondContact O-CB 3.4Å; L175-L179 VanDerWaalsContact O-CD1 3.31Å; L175-L179 WeakPolarHBondContact O-CD1 3.34Å; L175-L179 WeakPolarHBondContact O-CG 3.12Å; L175-L179 PolarHBondContact O-N 3.47Å; L175-L179 VanDerWaalsContact O-N 3.11Å; L179-I181 PolarHBondContact O-N 3.03Å; L179-I181 VanDerWaalsContact O-N 3.17Å; L179-S182 PolarHBondContact O-N 2.91Å; L179-L215 HydrophobicContact CB-CD1 3.36Å; L179-L215 HydrophobicContact CB-CG 4.44Å; L179-L215 HydrophobicContact CD1-CD1 4.09Å; L179-L215 HydrophobicContact CD2-CD1 4.35Å; L179-L215 HydrophobicContact CG-CD1 4.14Å |
| 180 | S | 46.2 | Very low | 48 | Very low | 23 Ų | 23 | 83.2 Ų | 83.2 | 16% | 0.161 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.1 | -179.1 | 43.6 | 0 | 0 | 0 | 0 | 114.2 | I176 E177 | I176-S180 VanDerWaalsContact O-CB 3.29Å; I176-S180 WeakPolarHBondContact O-CB 3.44Å; I176-S180 PolarHBondContact O-N 3.04Å; I176-S180 PolarHBondContact O-OG 3.28Å; E177-S180 PolarHBondContact O-OG 2.94Å; E177-S180 VanDerWaalsContact O-OG 3.13Å |
| 181 | I | 46.4 | Very low | 48.7 | Very low | 148 Ų | 148 | 86.9 Ų | 86.9 | 76% | 0.759 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -2.6 | 179.7 | -59.3 | 172.6 | 0 | 0 | 0 | 111.9 | L179 R183 | L179-I181 PolarHBondContact O-N 3.03Å; L179-I181 VanDerWaalsContact O-N 3.17Å; I181-R183 PolarHBondContact O-N 3.43Å; I181-R183 VanDerWaalsContact O-N 3.14Å |
| 182 | S | 48.8 | Very low | 49.7 | Very low | 24 Ų | 24 | 90.7 Ų | 90.7 | 17% | 0.168 | 46% | 0.458 | C | S | . | . | trans | -84.6 | 98.5 | -166.6 | 120.9 | 0 | 0 | 0 | 0 | 112.4 | L179 T184 | L179-S182 PolarHBondContact O-N 2.91Å; S182-T184 WeakPolarHBondContact CA-OG1 3.36Å; S182-T184 WeakPolarHBondContact CB-OG1 3.43Å; S182-T184 PolarHBondContact O-N 3.41Å; S182-T184 VanDerWaalsContact O-N 3.13Å; S182-T184 PolarHBondContact OG-OG1 3.29Å; S182-T184 VanDerWaalsContact OG-OG1 3.08Å | ||
| 183 | R | 52.1 | Low | 51.2 | Low | 155 Ų | 155 | 87.8 Ų | 87.8 | 59% | 0.585 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -22.1 | 157.5 | -76.4 | -175.1 | 171.1 | 166.7 | -2 | 112.4 | I181 R185 L186 E187 D210 | I181-R183 PolarHBondContact O-N 3.43Å; I181-R183 VanDerWaalsContact O-N 3.14Å; R183-R185 PolarHBondContact O-N 3.38Å; R183-L186 PolarHBondContact O-N 3.1Å; R183-E187 PolarHBondContact O-N 2.99Å; R183-D210 IonicContact NH2-OD1 3.65Å |
| 184 | T | 50 | Low | 53.1 | Low | 63 Ų | 63 | 91.6 Ų | 91.6 | 39% | 0.387 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.2 | -40.9 | -171 | -1.2 | 0 | 0 | 0 | 0 | 112.3 | S182 L186 E187 L188 | S182-T184 WeakPolarHBondContact CA-OG1 3.36Å; S182-T184 WeakPolarHBondContact CB-OG1 3.43Å; S182-T184 PolarHBondContact O-N 3.41Å; S182-T184 VanDerWaalsContact O-N 3.13Å; S182-T184 PolarHBondContact OG-OG1 3.29Å; S182-T184 VanDerWaalsContact OG-OG1 3.08Å; T184-L186 VanDerWaalsContact C-N 3.35Å; T184-L186 PolarHBondContact O-N 3.36Å; T184-E187 PolarHBondContact O-N 3.23Å; T184-L188 VanDerWaalsContact C-CD1 3.48Å; T184-L188 HydrophobicContact CG2-CD1 3.4Å; T184-L188 VanDerWaalsContact CG2-CD1 3.4Å; T184-L188 HydrophobicContact CG2-CD2 3.95Å; T184-L188 HydrophobicContact CG2-CG 3.55Å; T184-L188 WeakPolarHBondContact O-CA 3.47Å; T184-L188 WeakPolarHBondContact O-CB 3.33Å; T184-L188 WeakPolarHBondContact O-CD1 3.26Å; T184-L188 WeakPolarHBondContact O-CG 3.49Å; T184-L188 PolarHBondContact O-N 2.89Å |
| 185 | R | 53.3 | Low | 55 | Low | 131 Ų | 131 | 90.8 Ų | 90.8 | 49% | 0.494 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.8 | -30.2 | -179 | -92.4 | -173.3 | 177.8 | -169.9 | 1.5 | 115.4 | R183 | R183-R185 PolarHBondContact O-N 3.38Å |
| 186 | L | 56.4 | Low | 56.7 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -84 | -31.1 | 176.6 | -85.4 | 140.8 | 0 | 0 | 0 | 111.8 | L138 F163 R183 T184 I211 | L138-L186 HydrophobicContact CD2-CD2 4.23Å; F163-L186 HydrophobicContact CD2-CD1 3.9Å; F163-L186 HydrophobicContact CE2-CD1 3.89Å; F163-L186 HydrophobicContact CE2-CD2 4.35Å; F163-L186 HydrophobicContact CZ-CD2 4.38Å; R183-L186 PolarHBondContact O-N 3.1Å; T184-L186 VanDerWaalsContact C-N 3.35Å; T184-L186 PolarHBondContact O-N 3.36Å; L186-I211 HydrophobicContact CD1-CG2 3.78Å |
| 187 | E | 56 | Low | 58.3 | Low | 115 Ų | 115 | 94.1 Ų | 94.1 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -92.8 | -27.7 | -175.7 | -68.1 | 178.1 | 168.3 | 0 | 0 | 114.6 | R183 T184 S189 | R183-E187 PolarHBondContact O-N 2.99Å; T184-E187 PolarHBondContact O-N 3.23Å; E187-S189 PolarHBondContact O-N 3.43Å |
| 188 | L | 48.8 | Very low | 60 | Low | 119 Ų | 119 | 90.9 Ų | 90.9 | 62% | 0.623 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -4.9 | -165.1 | -89.9 | 164.2 | 0 | 0 | 0 | 116.9 | T184 | T184-L188 VanDerWaalsContact C-CD1 3.48Å; T184-L188 HydrophobicContact CG2-CD1 3.4Å; T184-L188 VanDerWaalsContact CG2-CD1 3.4Å; T184-L188 HydrophobicContact CG2-CD2 3.95Å; T184-L188 HydrophobicContact CG2-CG 3.55Å; T184-L188 WeakPolarHBondContact O-CA 3.47Å; T184-L188 WeakPolarHBondContact O-CB 3.33Å; T184-L188 WeakPolarHBondContact O-CD1 3.26Å; T184-L188 WeakPolarHBondContact O-CG 3.49Å; T184-L188 PolarHBondContact O-N 2.89Å |
| 189 | S | 51.7 | Low | 61.9 | Low | 41 Ų | 41 | 89.6 Ų | 89.6 | 29% | 0.287 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 9.7 | -170.7 | -57.1 | 0 | 0 | 0 | 0 | 115 | E187 R191 Q193 | E187-S189 PolarHBondContact O-N 3.43Å; S189-R191 PolarHBondContact O-N 2.89Å; S189-R191 VanDerWaalsContact O-N 3.12Å; S189-Q193 WeakPolarHBondContact O-CB 3.28Å; S189-Q193 VanDerWaalsContact O-CD 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.34Å; S189-Q193 PolarHBondContact O-N 2.91Å; S189-Q193 PolarHBondContact O-OE1 3.14Å |
| 190 | L | 55.9 | Low | 63.7 | Low | 61 Ų | 61 | 88.2 Ų | 88.2 | 32% | 0.319 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.3 | -178.6 | -75.7 | 171.1 | 0 | 0 | 0 | 114.9 | Q198 R201 | L190-Q198 WeakPolarHBondContact O-CG 3.39Å; L190-Q198 PolarHBondContact O-NE2 2.87Å; L190-R201 HydrophobicContact CD2-CB 3.58Å; L190-R201 HydrophobicContact CD2-CG 4.4Å |
| 191 | R | 56.1 | Low | 65.4 | Low | 243 Ų | 243 | 88.4 Ų | 88.4 | 92% | 0.917 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -21.7 | -175.3 | -68.5 | -171 | 178.8 | -175.8 | 0.5 | 115.4 | S189 | S189-R191 PolarHBondContact O-N 2.89Å; S189-R191 VanDerWaalsContact O-N 3.12Å |
| 192 | T | 64.8 | Low | 67.1 | Low | 128 Ų | 128 | 86.3 Ų | 86.3 | 79% | 0.785 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -5.9 | -174.8 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 193 | Q | 72.3 | Confident | 68.6 | Low | 36 Ų | 36 | 86.1 Ų | 86.1 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -83.4 | 159.7 | -177.1 | -78.9 | 178.5 | -21.7 | 0 | 0 | 113.4 | S189 L197 Q198 R201 | S189-Q193 WeakPolarHBondContact O-CB 3.28Å; S189-Q193 VanDerWaalsContact O-CD 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.34Å; S189-Q193 PolarHBondContact O-N 2.91Å; S189-Q193 PolarHBondContact O-OE1 3.14Å; Q193-L197 HydrophobicContact CB-CB 4.05Å; Q193-L197 HydrophobicContact CB-CD1 4.32Å; Q193-L197 HydrophobicContact CG-CD1 4.3Å; Q193-Q198 HydrophobicContact CB-CG 4.2Å; Q193-Q198 PolarHBondContact O-NE2 3.4Å; Q193-R201 VanDerWaalsContact NE2-NH2 3.14Å; Q193-R201 VanDerWaalsContact OE1-NE 3.17Å |
| 194 | H | 82.1 | Confident | 69.9 | Low | 122 Ų | 122 | 78.9 Ų | 78.9 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | trans | -56.5 | 145 | 170.7 | -168.9 | -97.8 | 0 | 0 | 0 | 111.1 | E196 L197 Q198 | H194-E196 VanDerWaalsContact C-N 3.25Å; H194-E196 PolarHBondContact O-N 2.91Å; H194-E196 VanDerWaalsContact O-N 3.12Å; H194-L197 HydrophobicContact CB-CG 4.48Å; H194-L197 WeakPolarHBondContact O-CB 3.3Å; H194-L197 PolarHBondContact O-N 3.38Å; H194-Q198 PolarHBondContact O-N 2.93Å | ||
| 195 | P | 84.4 | Confident | 71.2 | Confident | 76 Ų | 76 | 78.6 Ų | 78.6 | 49% | 0.494 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -52.3 | -37.5 | -175.7 | -30.4 | 36.2 | 0 | 0 | 0 | 115 | L197 Q198 Q199 | P195-L197 PolarHBondContact O-N 3.29Å; P195-Q198 WeakPolarHBondContact O-CB 3.09Å; P195-Q198 PolarHBondContact O-N 3.08Å; P195-Q199 WeakPolarHBondContact O-CG 3.45Å; P195-Q199 PolarHBondContact O-N 2.92Å |
| 196 | E | 81.1 | Confident | 72.4 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.9 | -174.4 | -176.6 | 170.6 | 0 | 0 | 112.4 | H194 Q198 Q199 L200 | H194-E196 VanDerWaalsContact C-N 3.25Å; H194-E196 PolarHBondContact O-N 2.91Å; H194-E196 VanDerWaalsContact O-N 3.12Å; E196-Q198 VanDerWaalsContact C-N 3.31Å; E196-Q198 PolarHBondContact O-N 2.97Å; E196-Q199 PolarHBondContact O-N 3.35Å; E196-L200 WeakPolarHBondContact O-CB 3.36Å; E196-L200 PolarHBondContact O-N 3.03Å |
| 197 | L | 80.9 | Confident | 73.2 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.1 | -32 | 179 | -62.3 | -176.7 | 0 | 0 | 0 | 112.1 | E135 Q193 H194 P195 R201 | E135-L197 HydrophobicContact CG-CD2 4.18Å; Q193-L197 HydrophobicContact CB-CB 4.05Å; Q193-L197 HydrophobicContact CB-CD1 4.32Å; Q193-L197 HydrophobicContact CG-CD1 4.3Å; H194-L197 HydrophobicContact CB-CG 4.48Å; H194-L197 WeakPolarHBondContact O-CB 3.3Å; H194-L197 PolarHBondContact O-N 3.38Å; P195-L197 PolarHBondContact O-N 3.29Å; L197-R201 WeakPolarHBondContact O-CG 3.28Å; L197-R201 PolarHBondContact O-N 3.12Å; L197-R201 PolarHBondContact O-NH1 3.1Å |
| 198 | Q | 82.7 | Confident | 74 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69 | -46.8 | 173.7 | -60.2 | -176.1 | 15.3 | 0 | 0 | 110.8 | L190 Q193 H194 P195 E196 L200 R201 Q202 | L190-Q198 WeakPolarHBondContact O-CG 3.39Å; L190-Q198 PolarHBondContact O-NE2 2.87Å; Q193-Q198 HydrophobicContact CB-CG 4.2Å; Q193-Q198 PolarHBondContact O-NE2 3.4Å; H194-Q198 PolarHBondContact O-N 2.93Å; P195-Q198 WeakPolarHBondContact O-CB 3.09Å; P195-Q198 PolarHBondContact O-N 3.08Å; E196-Q198 VanDerWaalsContact C-N 3.31Å; E196-Q198 PolarHBondContact O-N 2.97Å; Q198-L200 VanDerWaalsContact C-N 3.33Å; Q198-L200 PolarHBondContact O-N 3.26Å; Q198-R201 PolarHBondContact O-N 3.29Å; Q198-Q202 WeakPolarHBondContact O-CB 3Å; Q198-Q202 VanDerWaalsContact O-CG 3.27Å; Q198-Q202 WeakPolarHBondContact O-CG 3.34Å; Q198-Q202 PolarHBondContact O-N 2.94Å |
| 199 | Q | 84.5 | Confident | 75.1 | Confident | 127 Ų | 127 | 66.6 Ų | 66.6 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.4 | -43.7 | 177.6 | -74.8 | 176.5 | 0.9 | 0 | 0 | 111.5 | P195 E196 R201 Q202 H203 | P195-Q199 WeakPolarHBondContact O-CG 3.45Å; P195-Q199 PolarHBondContact O-N 2.92Å; E196-Q199 PolarHBondContact O-N 3.35Å; Q199-R201 PolarHBondContact O-N 3.16Å; Q199-Q202 PolarHBondContact O-N 3.32Å; Q199-H203 VanDerWaalsContact O-CB 3.29Å; Q199-H203 WeakPolarHBondContact O-CB 3.33Å; Q199-H203 PolarHBondContact O-N 3.42Å |
| 200 | L | 82.5 | Confident | 76.2 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56 | -50.6 | 175.5 | 174.2 | 60.8 | 0 | 0 | 0 | 112.1 | L138 Q139 Q142 E196 Q198 H203 I204 | L138-L200 HydrophobicContact CB-CD1 4.36Å; L138-L200 HydrophobicContact CB-CD2 3.72Å; L138-L200 HydrophobicContact CB-CG 4.16Å; Q139-L200 HydrophobicContact CG-CD1 4.48Å; Q139-L200 HydrophobicContact CG-CD2 3.93Å; Q142-L200 HydrophobicContact CB-CD1 3.54Å; Q142-L200 HydrophobicContact CG-CD1 4.2Å; E196-L200 WeakPolarHBondContact O-CB 3.36Å; E196-L200 PolarHBondContact O-N 3.03Å; Q198-L200 VanDerWaalsContact C-N 3.33Å; Q198-L200 PolarHBondContact O-N 3.26Å; L200-H203 PolarHBondContact O-N 3.45Å; L200-I204 HydrophobicContact CD1-CD1 4.11Å; L200-I204 HydrophobicContact CG-CD1 4.34Å; L200-I204 WeakPolarHBondContact O-CG1 3.29Å; L200-I204 PolarHBondContact O-N 3.48Å |
| 201 | R | 82.9 | Confident | 77.1 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 11% | 0.106 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68 | -41.1 | -179.8 | -72.5 | 168.1 | 173.8 | 69.9 | -1.1 | 112.4 | E135 L190 Q193 L197 Q198 Q199 H203 I204 S205 | E135-R201 IonicContact OE1-CZ 2.75Å; E135-R201 IonicContact OE1-NH1 3.71Å; E135-R201 PolarHBondContact OE1-NH1 2.63Å; E135-R201 IonicContact OE1-NH2 2.61Å; E135-R201 PolarHBondContact OE1-NH2 3.39Å; E135-R201 IonicContact OE2-CZ 3.03Å; E135-R201 IonicContact OE2-NH1 3.56Å; E135-R201 PolarHBondContact OE2-NH1 3.35Å; E135-R201 IonicContact OE2-NH2 2.72Å; E135-R201 PolarHBondContact OE2-NH2 3.46Å; L190-R201 HydrophobicContact CD2-CB 3.58Å; L190-R201 HydrophobicContact CD2-CG 4.4Å; Q193-R201 VanDerWaalsContact NE2-NH2 3.14Å; Q193-R201 VanDerWaalsContact OE1-NE 3.17Å; L197-R201 WeakPolarHBondContact O-CG 3.28Å; L197-R201 PolarHBondContact O-N 3.12Å; L197-R201 PolarHBondContact O-NH1 3.1Å; Q198-R201 PolarHBondContact O-N 3.29Å; Q199-R201 PolarHBondContact O-N 3.16Å; R201-H203 VanDerWaalsContact C-N 3.34Å; R201-I204 PolarHBondContact O-N 3.44Å; R201-S205 PolarHBondContact O-N 3.34Å |
| 202 | Q | 82.2 | Confident | 78 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 173.8 | -75.7 | 175.6 | 4.6 | 0 | 0 | 110.3 | Q198 Q199 I204 S205 T206 | Q198-Q202 WeakPolarHBondContact O-CB 3Å; Q198-Q202 VanDerWaalsContact O-CG 3.27Å; Q198-Q202 WeakPolarHBondContact O-CG 3.34Å; Q198-Q202 PolarHBondContact O-N 2.94Å; Q199-Q202 PolarHBondContact O-N 3.32Å; Q202-I204 PolarHBondContact O-N 2.92Å; Q202-S205 PolarHBondContact O-N 3.34Å; Q202-S205 PolarHBondContact O-OG 3.3Å; Q202-T206 WeakPolarHBondContact O-CG2 3.42Å; Q202-T206 PolarHBondContact O-N 3.09Å; Q202-T206 VanDerWaalsContact O-N 3.08Å |
| 203 | H | 81.1 | Confident | 78.6 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.4 | -52.8 | 176.7 | 174.8 | 75.3 | 0 | 0 | 0 | 111.7 | Q142 T145 E146 Q199 L200 R201 S205 T206 C207 | Q142-H203 VanDerWaalsContact CG-CD2 3.46Å; Q142-H203 WeakPolarHBondContact CG-CD2 3.36Å; T145-H203 PolarHBondContact OG1-NE2 3.41Å; E146-H203 WeakPolarHBondContact CG-CE1 3.46Å; E146-H203 IonicContact OE1-CE1 3.68Å; E146-H203 PolarHBondContact OE1-CE1 2.96Å; E146-H203 IonicContact OE1-ND1 2.9Å; E146-H203 PolarHBondContact OE1-ND1 3.35Å; E146-H203 IonicContact OE1-NE2 2.79Å; Q199-H203 VanDerWaalsContact O-CB 3.29Å; Q199-H203 WeakPolarHBondContact O-CB 3.33Å; Q199-H203 PolarHBondContact O-N 3.42Å; L200-H203 PolarHBondContact O-N 3.45Å; R201-H203 VanDerWaalsContact C-N 3.34Å; H203-S205 VanDerWaalsContact C-N 3.29Å; H203-S205 PolarHBondContact O-N 2.8Å; H203-T206 PolarHBondContact O-N 3.5Å; H203-T206 PolarHBondContact O-OG1 2.92Å; H203-C207 PolarHBondContact CE1-SG 3.38Å; H203-C207 PolarHBondContact NE2-SG 3.47Å; H203-C207 PolarHBondContact O-N 3.11Å; H203-C207 PolarHBondContact O-SG 3.47Å |
| 204 | I | 78.7 | Confident | 79 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.6 | -44.4 | 178 | -68.7 | 170.5 | 0 | 0 | 0 | 111.1 | L138 L141 L200 R201 Q202 T206 C207 F208 I211 | L138-I204 HydrophobicContact CB-CD1 3.88Å; L138-I204 HydrophobicContact CD2-CD1 3.89Å; L138-I204 HydrophobicContact CG-CD1 4.37Å; L141-I204 HydrophobicContact CD2-CD1 4.37Å; L141-I204 HydrophobicContact CD2-CG2 4.27Å; L200-I204 HydrophobicContact CD1-CD1 4.11Å; L200-I204 HydrophobicContact CG-CD1 4.34Å; L200-I204 WeakPolarHBondContact O-CG1 3.29Å; L200-I204 PolarHBondContact O-N 3.48Å; R201-I204 PolarHBondContact O-N 3.44Å; Q202-I204 PolarHBondContact O-N 2.92Å; I204-T206 PolarHBondContact O-N 3.21Å; I204-C207 PolarHBondContact O-N 3.17Å; I204-C207 VanDerWaalsContact O-N 3.15Å; I204-F208 HydrophobicContact CG2-CD2 3.87Å; I204-F208 HydrophobicContact CG2-CE2 4.01Å; I204-F208 WeakPolarHBondContact O-CD2 3.44Å; I204-F208 PolarHBondContact O-N 3.49Å; I204-I211 HydrophobicContact CG2-CD1 3.95Å |
| 205 | S | 77.7 | Confident | 78.9 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -26 | 178.3 | 79 | 0 | 0 | 0 | 0 | 113.9 | K157 R201 Q202 H203 | K157-S205 PolarHBondContact NZ-O 2.93Å; R201-S205 PolarHBondContact O-N 3.34Å; Q202-S205 PolarHBondContact O-N 3.34Å; Q202-S205 PolarHBondContact O-OG 3.3Å; H203-S205 VanDerWaalsContact C-N 3.29Å; H203-S205 PolarHBondContact O-N 2.8Å |
| 206 | T | 77.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 41.2 Ų | 41.2 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -78.5 | -30.8 | 175.4 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | K157 Q202 H203 I204 | K157-T206 VanDerWaalsContact CD-O 3.27Å; K157-T206 WeakPolarHBondContact CD-O 3.24Å; K157-T206 WeakPolarHBondContact CE-O 3.39Å; K157-T206 VanDerWaalsContact CG-O 3.25Å; K157-T206 WeakPolarHBondContact CG-O 3.36Å; Q202-T206 WeakPolarHBondContact O-CG2 3.42Å; Q202-T206 PolarHBondContact O-N 3.09Å; Q202-T206 VanDerWaalsContact O-N 3.08Å; H203-T206 PolarHBondContact O-N 3.5Å; H203-T206 PolarHBondContact O-OG1 2.92Å; I204-T206 PolarHBondContact O-N 3.21Å |
| 207 | C | 72.9 | Confident | 79.1 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.2 | -29.8 | -178.5 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | T145 P158 H203 I204 | T145-C207 VanDerWaalsContact CB-SG 3.6Å; T145-C207 HydrophobicContact CG2-CB 3.81Å; P158-C207 VanDerWaalsContact CD-O 3.26Å; P158-C207 WeakPolarHBondContact CD-O 3.41Å; H203-C207 PolarHBondContact CE1-SG 3.38Å; H203-C207 PolarHBondContact NE2-SG 3.47Å; H203-C207 PolarHBondContact O-N 3.11Å; H203-C207 PolarHBondContact O-SG 3.47Å; I204-C207 PolarHBondContact O-N 3.17Å; I204-C207 VanDerWaalsContact O-N 3.15Å |
| 208 | F | 72.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.022 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.8 | -174.8 | -58.1 | -67.8 | 0 | 0 | 0 | 112.1 | L141 T145 K157 F159 V161 I204 I211 | L141-F208 HydrophobicContact CD1-CE2 4.39Å; L141-F208 HydrophobicContact CD1-CZ 4.09Å; L141-F208 HydrophobicContact CD2-CE2 4.02Å; L141-F208 HydrophobicContact CD2-CZ 4.48Å; L141-F208 HydrophobicContact CG-CE2 4.19Å; L141-F208 HydrophobicContact CG-CZ 4.37Å; T145-F208 HydrophobicContact CG2-CE1 4.03Å; T145-F208 HydrophobicContact CG2-CE2 3.6Å; T145-F208 HydrophobicContact CG2-CZ 3.15Å; K157-F208 WeakPolarHBondContact CD-O 3.41Å; K157-F208 PolarHBondContact NZ-O 3.43Å; F159-F208 HydrophobicContact CB-CD1 3.28Å; F159-F208 HydrophobicContact CB-CE1 3.28Å; F159-F208 HydrophobicContact CD2-CD1 4.44Å; F159-F208 AromaticContact CD2-CE1 3.87Å; F159-F208 HydrophobicContact CD2-CE1 3.87Å; F159-F208 HydrophobicContact CG-CD1 4.32Å; F159-F208 AromaticContact CG-CE1 3.91Å; F159-F208 HydrophobicContact CG-CE1 3.91Å; F159-F208 CarbonylContact O-C 3.5Å; F159-F208 WeakPolarHBondContact O-CA 3.48Å; V161-F208 HydrophobicContact CB-CD1 3.8Å; V161-F208 HydrophobicContact CB-CD2 4.35Å; V161-F208 HydrophobicContact CB-CE1 4.02Å; V161-F208 HydrophobicContact CB-CE2 4.48Å; V161-F208 HydrophobicContact CB-CG 4.02Å; V161-F208 HydrophobicContact CB-CZ 4.33Å; V161-F208 HydrophobicContact CG2-CD1 3.21Å; V161-F208 HydrophobicContact CG2-CD2 4.18Å; V161-F208 HydrophobicContact CG2-CE1 2.97Å; V161-F208 HydrophobicContact CG2-CE2 3.94Å; V161-F208 HydrophobicContact CG2-CG 3.86Å; V161-F208 HydrophobicContact CG2-CZ 3.36Å; I204-F208 HydrophobicContact CG2-CD2 3.87Å; I204-F208 HydrophobicContact CG2-CE2 4.01Å; I204-F208 WeakPolarHBondContact O-CD2 3.44Å; I204-F208 PolarHBondContact O-N 3.49Å; F208-I211 HydrophobicContact CB-CD1 4.14Å; F208-I211 HydrophobicContact CB-CG1 3.68Å; F208-I211 HydrophobicContact CD2-CD1 4.33Å; F208-I211 HydrophobicContact CD2-CG1 4.4Å; F208-I211 HydrophobicContact CG-CG1 4.35Å |
| 209 | T | 72.7 | Confident | 79.7 | Confident | 63 Ų | 63 | 36 Ų | 36 | 39% | 0.387 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -34.8 | 173.1 | 46.2 | 0 | 0 | 0 | 0 | 112 | K157 F159 Q160 | K157-T209 HydrophobicContact CB-CG2 3.53Å; K157-T209 HydrophobicContact CD-CG2 4.22Å; K157-T209 HydrophobicContact CG-CG2 4.44Å; F159-T209 PolarHBondContact O-N 3.06Å; F159-T209 PolarHBondContact O-OG1 2.98Å; Q160-T209 WeakPolarHBondContact CG-OG1 3.44Å |
| 210 | D | 74 | Confident | 79.9 | Confident | 58 Ų | 58 | 30.1 Ų | 30.1 | 31% | 0.31 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 142.7 | 175.1 | -173.7 | 43.7 | 0 | 0 | 0 | 109.6 | Q160 V161 R183 | Q160-D210 HydrophobicContact CG-CB 4.37Å; V161-D210 PolarHBondContact N-O 3.39Å; R183-D210 IonicContact NH2-OD1 3.65Å |
| 211 | I | 74.7 | Confident | 80.2 | Confident | 37 Ų | 37 | 35.9 Ų | 35.9 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 118.7 | 178.1 | -62.1 | 174.2 | 0 | 0 | 0 | 107.6 | V161 F163 L186 I204 F208 | V161-I211 WeakPolarHBondContact O-CA 3.45Å; F163-I211 HydrophobicContact CD2-CG2 3.87Å; F163-I211 HydrophobicContact CE2-CG2 3.59Å; L186-I211 HydrophobicContact CD1-CG2 3.78Å; I204-I211 HydrophobicContact CG2-CD1 3.95Å; F208-I211 HydrophobicContact CB-CD1 4.14Å; F208-I211 HydrophobicContact CB-CG1 3.68Å; F208-I211 HydrophobicContact CD2-CD1 4.33Å; F208-I211 HydrophobicContact CD2-CG1 4.4Å; F208-I211 HydrophobicContact CG-CG1 4.35Å |
| 212 | S | 75.6 | Confident | 80.5 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.1 | 176 | 46 | 0 | 0 | 0 | 0 | 110.7 | V161 S162 F163 | V161-S212 PolarHBondContact O-N 3.39Å; S162-S212 CarbonylContact C-O 3.26Å; S162-S212 WeakPolarHBondContact CA-O 3.47Å; S162-S212 WeakPolarHBondContact CA-OG 3.46Å; S162-S212 WeakPolarHBondContact CB-OG 3.5Å; S162-S212 PolarHBondContact OG-OG 2.83Å; F163-S212 PolarHBondContact N-O 3.25Å |
| 213 | C | 76.7 | Confident | 80.9 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 17% | 0.169 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | F163 | F163-C213 HydrophobicContact CB-CB 4.31Å; F163-C213 CarbonylContact O-C 3.42Å; F163-C213 WeakPolarHBondContact O-CA 3.37Å |
| 214 | F | 80.9 | Confident | 81.1 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.3 | 173.4 | -166.3 | -81 | 0 | 0 | 0 | 109.3 | F163 L164 N165 M216 Q243 N246 F247 | F163-F214 PolarHBondContact O-N 3.42Å; L164-F214 HydrophobicContact CD1-CB 4.11Å; L164-F214 HydrophobicContact CD1-CD1 3.84Å; L164-F214 HydrophobicContact CD1-CG 4.37Å; N165-F214 PolarHBondContact N-O 3.14Å; F214-M216 HydrophobicContact CD1-CB 4.43Å; F214-M216 HydrophobicContact CD1-CE 3.91Å; F214-M216 HydrophobicContact CE1-CE 3.54Å; F214-M216 HydrophobicContact CE1-SD 4.13Å; F214-M216 HydrophobicContact CZ-CE 4.48Å; F214-Q243 HydrophobicContact CE1-CB 4.13Å; F214-Q243 HydrophobicContact CZ-CB 4.11Å; F214-Q243 WeakPolarHBondContact CZ-O 3.33Å; F214-N246 HydrophobicContact CE2-CB 4.47Å; F214-F247 HydrophobicContact CB-CD2 3.75Å; F214-F247 HydrophobicContact CB-CE2 3.89Å; F214-F247 HydrophobicContact CD1-CB 4.07Å; F214-F247 AromaticContact CD1-CD2 3.78Å; F214-F247 HydrophobicContact CD1-CD2 3.78Å; F214-F247 HydrophobicContact CD1-CG 4.02Å; F214-F247 HydrophobicContact CD2-CB 4.08Å; F214-F247 AromaticContact CD2-CD2 3.61Å; F214-F247 HydrophobicContact CD2-CD2 3.61Å; F214-F247 HydrophobicContact CD2-CG 4.26Å; F214-F247 HydrophobicContact CE1-CB 3.75Å; F214-F247 HydrophobicContact CE1-CD2 4.34Å; F214-F247 HydrophobicContact CE1-CG 4.2Å; F214-F247 HydrophobicContact CE2-CB 3.74Å; F214-F247 HydrophobicContact CE2-CD2 4.17Å; F214-F247 HydrophobicContact CE2-CG 4.41Å; F214-F247 HydrophobicContact CG-CB 4.24Å; F214-F247 AromaticContact CG-CD2 3.39Å; F214-F247 HydrophobicContact CG-CD2 3.39Å; F214-F247 HydrophobicContact CG-CE2 4.06Å; F214-F247 HydrophobicContact CG-CG 4.07Å; F214-F247 HydrophobicContact CZ-CB 3.59Å; F214-F247 HydrophobicContact CZ-CG 4.4Å |
| 215 | L | 80.2 | Confident | 81.5 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.6 | 177.5 | -65.8 | -167.6 | 0 | 0 | 0 | 109.4 | N165 L167 L179 | N165-L215 HydrophobicContact CB-CD2 3.9Å; L167-L215 HydrophobicContact CD1-CB 3.61Å; L167-L215 HydrophobicContact CD1-CD1 3.56Å; L167-L215 HydrophobicContact CD1-CD2 3.57Å; L167-L215 HydrophobicContact CD1-CG 3.74Å; L179-L215 HydrophobicContact CB-CD1 3.36Å; L179-L215 HydrophobicContact CB-CG 4.44Å; L179-L215 HydrophobicContact CD1-CD1 4.09Å; L179-L215 HydrophobicContact CD2-CD1 4.35Å; L179-L215 HydrophobicContact CG-CD1 4.14Å |
| 216 | M | 83.1 | Confident | 82 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.2 | -179.8 | -170 | 66.3 | 68.2 | 0 | 0 | 109.7 | M41 L164 N165 S166 L167 F214 F240 Q243 L244 F247 | M41-M216 HydrophobicContact CE-CE 4.18Å; L164-M216 HydrophobicContact CD1-CB 3.96Å; L164-M216 HydrophobicContact CD1-CE 4.12Å; N165-M216 PolarHBondContact O-N 3.36Å; S166-M216 CarbonylContact C-O 3.52Å; S166-M216 WeakPolarHBondContact CA-O 3.35Å; L167-M216 PolarHBondContact N-O 3.13Å; F214-M216 HydrophobicContact CD1-CB 4.43Å; F214-M216 HydrophobicContact CD1-CE 3.91Å; F214-M216 HydrophobicContact CE1-CE 3.54Å; F214-M216 HydrophobicContact CE1-SD 4.13Å; F214-M216 HydrophobicContact CZ-CE 4.48Å; M216-F240 HydrophobicContact CG-CD2 3.68Å; M216-F240 HydrophobicContact CG-CE2 3.33Å; M216-F240 HydrophobicContact CG-CZ 4.3Å; M216-F240 HydrophobicContact SD-CD2 3.83Å; M216-F240 HydrophobicContact SD-CE2 3.77Å; M216-F240 HydrophobicContact SD-CZ 4.44Å; M216-Q243 HydrophobicContact SD-CB 3.84Å; M216-L244 HydrophobicContact CE-CD2 3.96Å; M216-L244 HydrophobicContact CE-CG 4.43Å; M216-L244 HydrophobicContact SD-CG 4.44Å; M216-F247 HydrophobicContact CE-CB 3.78Å; M216-F247 HydrophobicContact CE-CD1 3.72Å; M216-F247 HydrophobicContact CE-CG 3.87Å |
| 217 | P | 86.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 10% | 0.104 | 26% | 0.261 | C | S | . | . | trans | -65.6 | 174.3 | 174.7 | 30.1 | -38.6 | 0 | 0 | 0 | 111.4 | E239 F240 Q243 | P217-E239 HydrophobicContact CB-CG 4.24Å; P217-E239 HydrophobicContact CG-CG 4.1Å; P217-F240 HydrophobicContact CG-CB 4.14Å; P217-F240 HydrophobicContact CG-CD2 4.32Å; P217-F240 VanDerWaalsContact O-CD2 3.23Å; P217-F240 WeakPolarHBondContact O-CD2 3.47Å; P217-Q243 HydrophobicContact CG-CB 4.23Å; P217-Q243 HydrophobicContact CG-CG 3.93Å | ||
| 218 | H | 87 | Confident | 83 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 27% | 0.269 | 29% | 0.288 | S | S | . | . | trans | -72.8 | 136.6 | 174.8 | -168.6 | -92.9 | 0 | 0 | 0 | 110.3 | L167 G220 | L167-H218 PolarHBondContact O-N 2.65Å; H218-G220 VanDerWaalsContact CE1-C 3.5Å; H218-G220 PolarHBondContact CE1-O 2.93Å; H218-G220 PolarHBondContact ND1-N 3.26Å; H218-G220 VanDerWaalsContact ND1-N 3.15Å; H218-G220 PolarHBondContact O-N 3.48Å; H218-G220 VanDerWaalsContact O-N 3.17Å | ||
| 219 | P | 89.5 | Confident | 83.7 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | trans | -73.5 | -4.5 | -176.6 | 30.8 | -37.5 | 0 | 0 | 0 | 114.6 | F40 V223 E237 F240 | F40-P219 HydrophobicContact CE1-CB 4.37Å; P219-V223 HydrophobicContact CB-CB 4.07Å; P219-V223 HydrophobicContact CB-CG1 3.86Å; P219-V223 HydrophobicContact CB-CG2 4.2Å; P219-V223 HydrophobicContact CG-CB 4.09Å; P219-V223 HydrophobicContact CG-CG1 3.76Å; P219-V223 WeakPolarHBondContact O-CG2 3.35Å; P219-E237 PolarHBondContact O-N 2.89Å; P219-F240 HydrophobicContact CB-CD1 3.98Å; P219-F240 HydrophobicContact CB-CD2 3.87Å; P219-F240 HydrophobicContact CB-CE1 3.99Å; P219-F240 HydrophobicContact CB-CE2 3.9Å; P219-F240 HydrophobicContact CB-CG 3.9Å; P219-F240 HydrophobicContact CB-CZ 3.97Å; P219-F240 HydrophobicContact CG-CE2 4.49Å | ||
| 220 | G | 89.5 | Confident | 84.3 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | trans | 114.6 | 151.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H218 K222 V223 A224 | H218-G220 VanDerWaalsContact CE1-C 3.5Å; H218-G220 PolarHBondContact CE1-O 2.93Å; H218-G220 PolarHBondContact ND1-N 3.26Å; H218-G220 VanDerWaalsContact ND1-N 3.15Å; H218-G220 PolarHBondContact O-N 3.48Å; H218-G220 VanDerWaalsContact O-N 3.17Å; G220-K222 VanDerWaalsContact C-N 3.3Å; G220-K222 PolarHBondContact O-N 3.28Å; G220-V223 PolarHBondContact O-N 3.38Å; G220-A224 PolarHBondContact O-N 3.26Å | ||
| 221 | L | 88.7 | Confident | 84.9 | Confident | 128 Ų | 128 | 50.5 Ų | 50.5 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 179.2 | -68.1 | 176.7 | 0 | 0 | 0 | 111.4 | V223 A224 T225 | L221-V223 VanDerWaalsContact C-N 3.33Å; L221-V223 PolarHBondContact O-N 3Å; L221-A224 PolarHBondContact O-N 2.91Å; L221-A224 VanDerWaalsContact O-N 3.13Å; L221-T225 PolarHBondContact O-N 2.78Å; L221-T225 PolarHBondContact O-OG1 3.5Å |
| 222 | K | 89.4 | Confident | 85.6 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.7 | -47.4 | 175.6 | -68.1 | -168.9 | -171.9 | -177 | 0 | 111.9 | G220 A224 S226 D235 | G220-K222 VanDerWaalsContact C-N 3.3Å; G220-K222 PolarHBondContact O-N 3.28Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 2.77Å; K222-S226 WeakPolarHBondContact O-CB 3.4Å; K222-S226 PolarHBondContact O-N 3.3Å; K222-D235 HydrophobicContact CB-CB 4.46Å; K222-D235 HydrophobicContact CD-CB 4.09Å; K222-D235 WeakPolarHBondContact CD-OD1 3.49Å; K222-D235 IonicContact NZ-OD1 2.73Å; K222-D235 PolarHBondContact NZ-OD1 3.37Å |
| 223 | V | 89.3 | Confident | 86.3 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 177.8 | 177.3 | 0 | 0 | 0 | 0 | 112 | F40 P219 G220 L221 F229 I236 | F40-V223 HydrophobicContact CE1-CG1 4.21Å; F40-V223 HydrophobicContact CE2-CG1 4.32Å; F40-V223 HydrophobicContact CZ-CG1 3.84Å; P219-V223 HydrophobicContact CB-CB 4.07Å; P219-V223 HydrophobicContact CB-CG1 3.86Å; P219-V223 HydrophobicContact CB-CG2 4.2Å; P219-V223 HydrophobicContact CG-CB 4.09Å; P219-V223 HydrophobicContact CG-CG1 3.76Å; P219-V223 WeakPolarHBondContact O-CG2 3.35Å; G220-V223 PolarHBondContact O-N 3.38Å; L221-V223 VanDerWaalsContact C-N 3.33Å; L221-V223 PolarHBondContact O-N 3Å; V223-F229 HydrophobicContact CB-CD1 4.33Å; V223-F229 HydrophobicContact CB-CE1 4.07Å; V223-F229 HydrophobicContact CB-CZ 4.25Å; V223-F229 HydrophobicContact CG1-CD1 4.11Å; V223-F229 HydrophobicContact CG1-CE1 3.58Å; V223-F229 HydrophobicContact CG1-CZ 4.04Å; V223-F229 HydrophobicContact CG2-CD2 4.4Å; V223-F229 HydrophobicContact CG2-CE1 4.02Å; V223-F229 HydrophobicContact CG2-CE2 3.89Å; V223-F229 HydrophobicContact CG2-CZ 3.68Å; V223-I236 HydrophobicContact CG2-CB 4.41Å; V223-I236 HydrophobicContact CG2-CG1 3.87Å |
| 224 | A | 86.9 | Confident | 87 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -81.2 | -36 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | G220 L221 K222 | G220-A224 PolarHBondContact O-N 3.26Å; L221-A224 PolarHBondContact O-N 2.91Å; L221-A224 VanDerWaalsContact O-N 3.13Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 2.77Å |
| 225 | T | 86.2 | Confident | 87.5 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 64% | 0.644 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -118.7 | -19.8 | -167.8 | 68.6 | 0 | 0 | 0 | 0 | 114.4 | L221 P227 | L221-T225 PolarHBondContact O-N 2.78Å; L221-T225 PolarHBondContact O-OG1 3.5Å; T225-P227 WeakPolarHBondContact O-CD 3.33Å |
| 226 | S | 87.2 | Confident | 88 | Confident | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | trans | -76.9 | 123.5 | -176.5 | -173.2 | 0 | 0 | 0 | 0 | 111 | K222 N228 F229 | K222-S226 WeakPolarHBondContact O-CB 3.4Å; K222-S226 PolarHBondContact O-N 3.3Å; S226-N228 PolarHBondContact O-N 3.01Å; S226-N228 PolarHBondContact OG-N 2.89Å; S226-F229 PolarHBondContact O-N 2.9Å | ||
| 227 | P | 85.7 | Confident | 88.4 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 72% | 0.721 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.7 | 171.6 | 29.2 | -34.4 | 0 | 0 | 0 | 112.6 | T225 F229 | T225-P227 WeakPolarHBondContact O-CD 3.33Å; P227-F229 VanDerWaalsContact C-N 3.34Å |
| 228 | N | 86.1 | Confident | 88.6 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.5 | -177.7 | -59.2 | -21.3 | 0 | 0 | 0 | 112.9 | S226 H230 | S226-N228 PolarHBondContact O-N 3.01Å; S226-N228 PolarHBondContact OG-N 2.89Å; N228-H230 PolarHBondContact O-CD2 2.79Å; N228-H230 PolarHBondContact O-N 3.15Å |
| 229 | F | 87.5 | Confident | 88.7 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | trans | -76.9 | 116.3 | 176 | 178.1 | -111.7 | 0 | 0 | 0 | 109.8 | F40 W72 V223 S226 P227 Q232 D235 I236 | F40-F229 HydrophobicContact CD2-CE1 4.48Å; F40-F229 AromaticContact CE2-CE1 3.72Å; F40-F229 HydrophobicContact CE2-CE1 3.72Å; F40-F229 AromaticContact CE2-CZ 3.86Å; F40-F229 HydrophobicContact CE2-CZ 3.86Å; F40-F229 HydrophobicContact CZ-CE1 4.31Å; F40-F229 HydrophobicContact CZ-CZ 4.26Å; W72-F229 AromaticContact CH2-CD1 3.41Å; W72-F229 HydrophobicContact CH2-CD1 3.41Å; W72-F229 VanDerWaalsContact CH2-CD1 3.41Å; W72-F229 AromaticContact CH2-CE1 3.16Å; W72-F229 HydrophobicContact CH2-CE1 3.16Å; W72-F229 HydrophobicContact CH2-CG 4.42Å; W72-F229 HydrophobicContact CH2-CZ 4.04Å; W72-F229 HydrophobicContact CZ2-CE1 4.23Å; W72-F229 AromaticContact CZ3-CD1 3.6Å; W72-F229 HydrophobicContact CZ3-CD1 3.6Å; W72-F229 AromaticContact CZ3-CE1 3.5Å; W72-F229 HydrophobicContact CZ3-CE1 3.5Å; W72-F229 VanDerWaalsContact CZ3-CE1 3.5Å; V223-F229 HydrophobicContact CB-CD1 4.33Å; V223-F229 HydrophobicContact CB-CE1 4.07Å; V223-F229 HydrophobicContact CB-CZ 4.25Å; V223-F229 HydrophobicContact CG1-CD1 4.11Å; V223-F229 HydrophobicContact CG1-CE1 3.58Å; V223-F229 HydrophobicContact CG1-CZ 4.04Å; V223-F229 HydrophobicContact CG2-CD2 4.4Å; V223-F229 HydrophobicContact CG2-CE1 4.02Å; V223-F229 HydrophobicContact CG2-CE2 3.89Å; V223-F229 HydrophobicContact CG2-CZ 3.68Å; S226-F229 PolarHBondContact O-N 2.9Å; P227-F229 VanDerWaalsContact C-N 3.34Å; F229-Q232 WeakPolarHBondContact CE2-O 3.32Å; F229-D235 HydrophobicContact CD2-CB 4.05Å; F229-D235 HydrophobicContact CE2-CB 4.02Å; F229-I236 HydrophobicContact CE2-CG1 4.25Å; F229-I236 HydrophobicContact CZ-CD1 4.29Å; F229-I236 HydrophobicContact CZ-CG1 4.1Å | ||
| 230 | H | 85.6 | Confident | 88.8 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | trans | -116.1 | 18 | -178.7 | -61.3 | -66.2 | 0 | 0 | 0 | 112.3 | N228 | N228-H230 PolarHBondContact O-CD2 2.79Å; N228-H230 PolarHBondContact O-N 3.15Å | ||
| 231 | G | 87 | Confident | 88.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | 95.4 | 14.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | S66 L67 W72 L233 | S66-G231 CarbonylContact C-O 3.54Å; S66-G231 WeakPolarHBondContact CA-O 3.48Å; L67-G231 WeakPolarHBondContact CB-O 3.35Å; L67-G231 PolarHBondContact N-O 2.89Å; W72-G231 VanDerWaalsContact CZ2-CA 3.44Å; G231-L233 PolarHBondContact O-N 2.93Å | ||
| 232 | Q | 89.5 | Confident | 88.9 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -57.5 | 124.1 | 173.7 | -62.2 | 85.8 | -10.8 | 0 | 0 | 109.3 | F229 S234 D235 | F229-Q232 WeakPolarHBondContact CE2-O 3.32Å; Q232-S234 VanDerWaalsContact C-N 3.27Å; Q232-S234 PolarHBondContact O-N 3.34Å; Q232-D235 PolarHBondContact O-N 3.41Å | ||
| 233 | L | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -65.5 | -33.5 | -177.8 | -66.4 | -170.5 | 0 | 0 | 0 | 111.8 | F44 K47 L60 S65 G231 D235 I236 K241 | F44-L233 HydrophobicContact CE1-CD2 3.72Å; F44-L233 HydrophobicContact CZ-CD2 4.18Å; K47-L233 HydrophobicContact CD-CD1 4.48Å; L60-L233 HydrophobicContact CD1-CD1 4.09Å; L60-L233 HydrophobicContact CD1-CD2 4.29Å; S65-L233 WeakPolarHBondContact O-CG 3.08Å; S65-L233 PolarHBondContact O-N 3.4Å; S65-L233 VanDerWaalsContact O-N 3.16Å; S65-L233 WeakPolarHBondContact OG-CD1 3.35Å; G231-L233 PolarHBondContact O-N 2.93Å; L233-D235 PolarHBondContact O-N 3.09Å; L233-D235 VanDerWaalsContact O-N 3.11Å; L233-I236 HydrophobicContact CD2-CD1 3.82Å; L233-I236 WeakPolarHBondContact O-CB 3.47Å; L233-I236 PolarHBondContact O-N 3.41Å; L233-K241 WeakPolarHBondContact O-CE 3.44Å; L233-K241 PolarHBondContact O-NZ 2.98Å |
| 234 | S | 90.3 | Very high | 88.9 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 51% | 0.51 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -57 | -24 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 115 | Q232 | Q232-S234 VanDerWaalsContact C-N 3.27Å; Q232-S234 PolarHBondContact O-N 3.34Å |
| 235 | D | 91.2 | Very high | 89.1 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -89.2 | -1.6 | 179.5 | -80.5 | -34.6 | 0 | 0 | 0 | 114.3 | K222 F229 Q232 L233 | K222-D235 HydrophobicContact CB-CB 4.46Å; K222-D235 HydrophobicContact CD-CB 4.09Å; K222-D235 WeakPolarHBondContact CD-OD1 3.49Å; K222-D235 IonicContact NZ-OD1 2.73Å; K222-D235 PolarHBondContact NZ-OD1 3.37Å; F229-D235 HydrophobicContact CD2-CB 4.05Å; F229-D235 HydrophobicContact CE2-CB 4.02Å; Q232-D235 PolarHBondContact O-N 3.41Å; L233-D235 PolarHBondContact O-N 3.09Å; L233-D235 VanDerWaalsContact O-N 3.11Å |
| 236 | I | 91.5 | Very high | 89.2 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -94.7 | 134.2 | -178.4 | -54 | -178.3 | 0 | 0 | 0 | 109.9 | F40 F44 V223 F229 L233 V238 F240 K241 | F40-I236 HydrophobicContact CE2-CD1 4.41Å; F40-I236 HydrophobicContact CZ-CD1 3.89Å; F44-I236 HydrophobicContact CE1-CD1 4.4Å; F44-I236 HydrophobicContact CZ-CD1 3.62Å; V223-I236 HydrophobicContact CG2-CB 4.41Å; V223-I236 HydrophobicContact CG2-CG1 3.87Å; F229-I236 HydrophobicContact CE2-CG1 4.25Å; F229-I236 HydrophobicContact CZ-CD1 4.29Å; F229-I236 HydrophobicContact CZ-CG1 4.1Å; L233-I236 HydrophobicContact CD2-CD1 3.82Å; L233-I236 WeakPolarHBondContact O-CB 3.47Å; L233-I236 PolarHBondContact O-N 3.41Å; I236-V238 PolarHBondContact O-N 3Å; I236-F240 HydrophobicContact CG2-CB 4.33Å; I236-F240 HydrophobicContact CG2-CD1 3.47Å; I236-F240 VanDerWaalsContact CG2-CD1 3.47Å; I236-F240 HydrophobicContact CG2-CE1 4.16Å; I236-F240 HydrophobicContact CG2-CG 4.26Å; I236-K241 HydrophobicContact CB-CG 4.42Å; I236-K241 HydrophobicContact CG2-CG 4.07Å; I236-K241 WeakPolarHBondContact O-CE 3.27Å |
| 237 | E | 91.4 | Very high | 89.2 | Confident | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | trans | -55.6 | 136 | 179.2 | -71.9 | -66.7 | 160 | 0 | 0 | 112.6 | P219 E239 F240 K241 | P219-E237 PolarHBondContact O-N 2.89Å; E237-E239 VanDerWaalsContact C-N 3.27Å; E237-E239 PolarHBondContact O-N 3.46Å; E237-F240 HydrophobicContact CB-CB 4.34Å; E237-F240 WeakPolarHBondContact O-CB 3.38Å; E237-F240 PolarHBondContact O-N 3.27Å; E237-K241 PolarHBondContact O-N 3.39Å | ||
| 238 | V | 91.1 | Very high | 89.4 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 68% | 0.679 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.7 | -39.7 | -176.5 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | I236 F240 K241 R242 | I236-V238 PolarHBondContact O-N 3Å; V238-F240 VanDerWaalsContact C-N 3.31Å; V238-F240 PolarHBondContact O-N 3.28Å; V238-K241 PolarHBondContact O-N 3.23Å; V238-R242 WeakPolarHBondContact O-CB 3.45Å; V238-R242 PolarHBondContact O-N 3.38Å |
| 239 | E | 88.7 | Confident | 89.5 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -36.9 | 178.6 | -173.9 | 51.9 | -146.5 | 0 | 0 | 112.2 | I176 P217 E237 R242 Q243 | I176-E239 HydrophobicContact CD1-CG 4.43Å; P217-E239 HydrophobicContact CB-CG 4.24Å; P217-E239 HydrophobicContact CG-CG 4.1Å; E237-E239 VanDerWaalsContact C-N 3.27Å; E237-E239 PolarHBondContact O-N 3.46Å; E239-R242 PolarHBondContact O-N 3.12Å; E239-R242 IonicContact OE1-CZ 3.28Å; E239-R242 IonicContact OE1-NE 3.9Å; E239-R242 PolarHBondContact OE1-NE 3.49Å; E239-R242 IonicContact OE1-NH2 2.69Å; E239-R242 PolarHBondContact OE1-NH2 3.3Å; E239-R242 IonicContact OE2-CZ 2.84Å; E239-R242 IonicContact OE2-NE 3.9Å; E239-R242 PolarHBondContact OE2-NE 2.96Å; E239-R242 IonicContact OE2-NH2 2.9Å; E239-R242 PolarHBondContact OE2-NH2 3.44Å; E239-Q243 WeakPolarHBondContact O-CG 3.29Å; E239-Q243 PolarHBondContact O-N 2.99Å; E239-Q243 PolarHBondContact OE1-NE2 2.86Å; E239-Q243 VanDerWaalsContact OE1-NE2 3.09Å |
| 240 | F | 90.2 | Very high | 89.5 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 173.8 | -178 | -93.4 | 0 | 0 | 0 | 112.1 | F40 M41 F44 M216 P217 P219 I236 E237 V238 R242 Q243 L244 | F40-F240 AromaticContact CE1-CE1 3.92Å; F40-F240 HydrophobicContact CE1-CE1 3.92Å; F40-F240 AromaticContact CE1-CZ 3.96Å; F40-F240 HydrophobicContact CE1-CZ 3.96Å; M41-F240 HydrophobicContact CE-CZ 4.15Å; F44-F240 HydrophobicContact CE2-CE1 4.13Å; M216-F240 HydrophobicContact CG-CD2 3.68Å; M216-F240 HydrophobicContact CG-CE2 3.33Å; M216-F240 HydrophobicContact CG-CZ 4.3Å; M216-F240 HydrophobicContact SD-CD2 3.83Å; M216-F240 HydrophobicContact SD-CE2 3.77Å; M216-F240 HydrophobicContact SD-CZ 4.44Å; P217-F240 HydrophobicContact CG-CB 4.14Å; P217-F240 HydrophobicContact CG-CD2 4.32Å; P217-F240 VanDerWaalsContact O-CD2 3.23Å; P217-F240 WeakPolarHBondContact O-CD2 3.47Å; P219-F240 HydrophobicContact CB-CD1 3.98Å; P219-F240 HydrophobicContact CB-CD2 3.87Å; P219-F240 HydrophobicContact CB-CE1 3.99Å; P219-F240 HydrophobicContact CB-CE2 3.9Å; P219-F240 HydrophobicContact CB-CG 3.9Å; P219-F240 HydrophobicContact CB-CZ 3.97Å; P219-F240 HydrophobicContact CG-CE2 4.49Å; I236-F240 HydrophobicContact CG2-CB 4.33Å; I236-F240 HydrophobicContact CG2-CD1 3.47Å; I236-F240 VanDerWaalsContact CG2-CD1 3.47Å; I236-F240 HydrophobicContact CG2-CE1 4.16Å; I236-F240 HydrophobicContact CG2-CG 4.26Å; E237-F240 HydrophobicContact CB-CB 4.34Å; E237-F240 WeakPolarHBondContact O-CB 3.38Å; E237-F240 PolarHBondContact O-N 3.27Å; V238-F240 VanDerWaalsContact C-N 3.31Å; V238-F240 PolarHBondContact O-N 3.28Å; F240-R242 VanDerWaalsContact C-N 3.33Å; F240-R242 PolarHBondContact O-N 2.95Å; F240-Q243 PolarHBondContact O-N 2.97Å; F240-L244 HydrophobicContact CD1-CD1 3.62Å; F240-L244 HydrophobicContact CD1-CG 4.04Å; F240-L244 HydrophobicContact CE1-CD1 3.31Å; F240-L244 HydrophobicContact CE1-CD2 4.33Å; F240-L244 HydrophobicContact CE1-CG 3.79Å; F240-L244 HydrophobicContact CZ-CD1 4.17Å; F240-L244 HydrophobicContact CZ-CD2 4.42Å; F240-L244 HydrophobicContact CZ-CG 4.26Å; F240-L244 WeakPolarHBondContact O-CB 3.4Å; F240-L244 WeakPolarHBondContact O-CG 3.47Å; F240-L244 PolarHBondContact O-N 2.9Å |
| 241 | K | 90.8 | Very high | 89.3 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 173.6 | -66.7 | -177.4 | -173.8 | 173.5 | 0 | 111.6 | L60 D63 L233 I236 E237 V238 Q243 L244 M245 | L60-K241 HydrophobicContact CD2-CB 3.79Å; L60-K241 HydrophobicContact CD2-CG 4.23Å; L60-K241 WeakPolarHBondContact CD2-O 3.48Å; D63-K241 IonicContact OD1-NZ 3.07Å; D63-K241 PolarHBondContact OD1-NZ 2.92Å; L233-K241 WeakPolarHBondContact O-CE 3.44Å; L233-K241 PolarHBondContact O-NZ 2.98Å; I236-K241 HydrophobicContact CB-CG 4.42Å; I236-K241 HydrophobicContact CG2-CG 4.07Å; I236-K241 WeakPolarHBondContact O-CE 3.27Å; E237-K241 PolarHBondContact O-N 3.39Å; V238-K241 PolarHBondContact O-N 3.23Å; K241-Q243 PolarHBondContact O-N 3.39Å; K241-L244 WeakPolarHBondContact O-CB 3.33Å; K241-L244 PolarHBondContact O-N 3.14Å; K241-M245 WeakPolarHBondContact O-CG 3.32Å; K241-M245 PolarHBondContact O-N 3.5Å |
| 242 | R | 90.4 | Very high | 89.3 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 177.8 | -173.1 | 171.3 | 72.6 | 132.6 | 7.4 | 111.7 | V238 E239 F240 M245 N246 | V238-R242 WeakPolarHBondContact O-CB 3.45Å; V238-R242 PolarHBondContact O-N 3.38Å; E239-R242 PolarHBondContact O-N 3.12Å; E239-R242 IonicContact OE1-CZ 3.28Å; E239-R242 IonicContact OE1-NE 3.9Å; E239-R242 PolarHBondContact OE1-NE 3.49Å; E239-R242 IonicContact OE1-NH2 2.69Å; E239-R242 PolarHBondContact OE1-NH2 3.3Å; E239-R242 IonicContact OE2-CZ 2.84Å; E239-R242 IonicContact OE2-NE 3.9Å; E239-R242 PolarHBondContact OE2-NE 2.96Å; E239-R242 IonicContact OE2-NH2 2.9Å; E239-R242 PolarHBondContact OE2-NH2 3.44Å; F240-R242 VanDerWaalsContact C-N 3.33Å; F240-R242 PolarHBondContact O-N 2.95Å; R242-M245 WeakPolarHBondContact O-CB 3.47Å; R242-M245 PolarHBondContact O-N 3.28Å; R242-N246 PolarHBondContact O-N 2.98Å |
| 243 | Q | 88.2 | Confident | 89.1 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -31.3 | 177.4 | -64.2 | -56 | -25.3 | 0 | 0 | 113 | I176 F214 M216 P217 E239 F240 K241 M245 N246 F247 | I176-Q243 HydrophobicContact CG2-CG 4.28Å; F214-Q243 HydrophobicContact CE1-CB 4.13Å; F214-Q243 HydrophobicContact CZ-CB 4.11Å; F214-Q243 WeakPolarHBondContact CZ-O 3.33Å; M216-Q243 HydrophobicContact SD-CB 3.84Å; P217-Q243 HydrophobicContact CG-CB 4.23Å; P217-Q243 HydrophobicContact CG-CG 3.93Å; E239-Q243 WeakPolarHBondContact O-CG 3.29Å; E239-Q243 PolarHBondContact O-N 2.99Å; E239-Q243 PolarHBondContact OE1-NE2 2.86Å; E239-Q243 VanDerWaalsContact OE1-NE2 3.09Å; F240-Q243 PolarHBondContact O-N 2.97Å; K241-Q243 PolarHBondContact O-N 3.39Å; Q243-M245 VanDerWaalsContact C-N 3.34Å; Q243-N246 PolarHBondContact O-N 2.92Å; Q243-F247 WeakPolarHBondContact O-CB 3.41Å; Q243-F247 PolarHBondContact O-N 3.3Å |
| 244 | L | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 170.3 | -83.5 | 178.2 | 0 | 0 | 0 | 112.3 | M41 F44 W59 L60 M216 F240 K241 N246 F247 V248 | M41-L244 HydrophobicContact CE-CD2 3.86Å; M41-L244 HydrophobicContact SD-CD2 3.72Å; F44-L244 HydrophobicContact CB-CD2 4.48Å; F44-L244 HydrophobicContact CD1-CD1 3.9Å; F44-L244 HydrophobicContact CD2-CD1 3.86Å; F44-L244 HydrophobicContact CD2-CD2 4.28Å; F44-L244 HydrophobicContact CE1-CD1 3.84Å; F44-L244 HydrophobicContact CE2-CD1 3.81Å; F44-L244 HydrophobicContact CG-CD1 3.91Å; F44-L244 HydrophobicContact CG-CD2 4.36Å; F44-L244 HydrophobicContact CZ-CD1 3.79Å; W59-L244 HydrophobicContact CH2-CB 4.08Å; L60-L244 HydrophobicContact CD2-CB 4.09Å; L60-L244 HydrophobicContact CD2-CD1 4.47Å; M216-L244 HydrophobicContact CE-CD2 3.96Å; M216-L244 HydrophobicContact CE-CG 4.43Å; M216-L244 HydrophobicContact SD-CG 4.44Å; F240-L244 HydrophobicContact CD1-CD1 3.62Å; F240-L244 HydrophobicContact CD1-CG 4.04Å; F240-L244 HydrophobicContact CE1-CD1 3.31Å; F240-L244 HydrophobicContact CE1-CD2 4.33Å; F240-L244 HydrophobicContact CE1-CG 3.79Å; F240-L244 HydrophobicContact CZ-CD1 4.17Å; F240-L244 HydrophobicContact CZ-CD2 4.42Å; F240-L244 HydrophobicContact CZ-CG 4.26Å; F240-L244 WeakPolarHBondContact O-CB 3.4Å; F240-L244 WeakPolarHBondContact O-CG 3.47Å; F240-L244 PolarHBondContact O-N 2.9Å; K241-L244 WeakPolarHBondContact O-CB 3.33Å; K241-L244 PolarHBondContact O-N 3.14Å; L244-N246 PolarHBondContact O-N 2.94Å; L244-F247 PolarHBondContact O-N 3.26Å; L244-V248 HydrophobicContact CD2-CG2 3.95Å; L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 WeakPolarHBondContact O-CG2 3.37Å; L244-V248 PolarHBondContact O-N 3.39Å |
| 245 | M | 90.9 | Very high | 88.3 | Confident | 76 Ų | 76 | 45.2 Ų | 45.2 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -26.1 | 175.7 | -66 | -178.5 | -152 | 0 | 0 | 112.8 | L60 K241 R242 Q243 P249 | L60-M245 HydrophobicContact CB-CE 4.4Å; L60-M245 HydrophobicContact CD2-CE 3.97Å; L60-M245 HydrophobicContact CD2-CG 3.82Å; L60-M245 HydrophobicContact CG-CE 4.46Å; K241-M245 WeakPolarHBondContact O-CG 3.32Å; K241-M245 PolarHBondContact O-N 3.5Å; R242-M245 WeakPolarHBondContact O-CB 3.47Å; R242-M245 PolarHBondContact O-N 3.28Å; Q243-M245 VanDerWaalsContact C-N 3.34Å; M245-P249 WeakPolarHBondContact O-CD 3.44Å; M245-P249 WeakPolarHBondContact O-CG 3.42Å |
| 246 | N | 88.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 46.3 Ų | 46.3 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -86.9 | -47.8 | 174.1 | -64.1 | -27.9 | 0 | 0 | 0 | 111.7 | F214 R242 Q243 L244 Q250 | F214-N246 HydrophobicContact CE2-CB 4.47Å; R242-N246 PolarHBondContact O-N 2.98Å; Q243-N246 PolarHBondContact O-N 2.92Å; L244-N246 PolarHBondContact O-N 2.94Å; N246-Q250 WeakPolarHBondContact O-CB 3.27Å; N246-Q250 PolarHBondContact O-N 3.35Å |
| 247 | F | 87.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -48.4 | -173.4 | 178.1 | -119.6 | 0 | 0 | 0 | 113.2 | M41 F45 I126 L164 F214 M216 Q243 L244 Q250 I251 | M41-F247 HydrophobicContact CG-CE1 4.38Å; M41-F247 HydrophobicContact SD-CD1 4.03Å; M41-F247 HydrophobicContact SD-CE1 3.84Å; F45-F247 HydrophobicContact CE1-CD1 4.26Å; F45-F247 AromaticContact CE1-CE1 3.8Å; F45-F247 HydrophobicContact CE1-CE1 3.8Å; F45-F247 AromaticContact CZ-CE1 3.76Å; F45-F247 HydrophobicContact CZ-CE1 3.76Å; F45-F247 HydrophobicContact CZ-CZ 4.28Å; I126-F247 HydrophobicContact CD1-CZ 4.33Å; I126-F247 HydrophobicContact CG2-CZ 4.26Å; L164-F247 HydrophobicContact CB-CZ 4.35Å; L164-F247 HydrophobicContact CD1-CD1 4.34Å; L164-F247 HydrophobicContact CD1-CD2 4.32Å; L164-F247 HydrophobicContact CD1-CE1 3.95Å; L164-F247 HydrophobicContact CD1-CE2 3.93Å; L164-F247 HydrophobicContact CD1-CZ 3.74Å; L164-F247 HydrophobicContact CD2-CE1 3.81Å; L164-F247 HydrophobicContact CD2-CZ 3.88Å; L164-F247 HydrophobicContact CG-CE1 4.47Å; L164-F247 HydrophobicContact CG-CZ 4.21Å; F214-F247 HydrophobicContact CB-CD2 3.75Å; F214-F247 HydrophobicContact CB-CE2 3.89Å; F214-F247 HydrophobicContact CD1-CB 4.07Å; F214-F247 AromaticContact CD1-CD2 3.78Å; F214-F247 HydrophobicContact CD1-CD2 3.78Å; F214-F247 HydrophobicContact CD1-CG 4.02Å; F214-F247 HydrophobicContact CD2-CB 4.08Å; F214-F247 AromaticContact CD2-CD2 3.61Å; F214-F247 HydrophobicContact CD2-CD2 3.61Å; F214-F247 HydrophobicContact CD2-CG 4.26Å; F214-F247 HydrophobicContact CE1-CB 3.75Å; F214-F247 HydrophobicContact CE1-CD2 4.34Å; F214-F247 HydrophobicContact CE1-CG 4.2Å; F214-F247 HydrophobicContact CE2-CB 3.74Å; F214-F247 HydrophobicContact CE2-CD2 4.17Å; F214-F247 HydrophobicContact CE2-CG 4.41Å; F214-F247 HydrophobicContact CG-CB 4.24Å; F214-F247 AromaticContact CG-CD2 3.39Å; F214-F247 HydrophobicContact CG-CD2 3.39Å; F214-F247 HydrophobicContact CG-CE2 4.06Å; F214-F247 HydrophobicContact CG-CG 4.07Å; F214-F247 HydrophobicContact CZ-CB 3.59Å; F214-F247 HydrophobicContact CZ-CG 4.4Å; M216-F247 HydrophobicContact CE-CB 3.78Å; M216-F247 HydrophobicContact CE-CD1 3.72Å; M216-F247 HydrophobicContact CE-CG 3.87Å; Q243-F247 WeakPolarHBondContact O-CB 3.41Å; Q243-F247 PolarHBondContact O-N 3.3Å; L244-F247 PolarHBondContact O-N 3.26Å; F247-Q250 WeakPolarHBondContact O-CB 3.25Å; F247-Q250 PolarHBondContact O-N 3.44Å; F247-I251 HydrophobicContact CD2-CG1 4.11Å; F247-I251 HydrophobicContact CE1-CG1 4.47Å; F247-I251 HydrophobicContact CE2-CD1 3.96Å; F247-I251 HydrophobicContact CE2-CG1 3.64Å; F247-I251 HydrophobicContact CZ-CD1 4.4Å; F247-I251 HydrophobicContact CZ-CG1 3.84Å; F247-I251 WeakPolarHBondContact O-CG1 3.34Å; F247-I251 PolarHBondContact O-N 3.06Å |
| 248 | V | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -47.2 | -171 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | F45 Y48 W59 L244 Q250 I251 L252 | F45-V248 HydrophobicContact CD1-CG1 3.9Å; F45-V248 HydrophobicContact CD1-CG2 4Å; F45-V248 HydrophobicContact CE1-CG1 4.36Å; F45-V248 HydrophobicContact CE1-CG2 3.96Å; Y48-V248 VanDerWaalsContact CB-CG1 3.46Å; Y48-V248 HydrophobicContact CD1-CG1 3.84Å; Y48-V248 HydrophobicContact CD2-CG1 4.07Å; Y48-V248 HydrophobicContact CG-CG1 3.51Å; W59-V248 HydrophobicContact CH2-CB 3.88Å; W59-V248 HydrophobicContact CH2-CG1 4.31Å; W59-V248 HydrophobicContact CH2-CG2 3.63Å; W59-V248 HydrophobicContact CZ2-CB 3.98Å; W59-V248 HydrophobicContact CZ2-CG2 4.19Å; W59-V248 HydrophobicContact CZ3-CG2 4.43Å; L244-V248 HydrophobicContact CD2-CG2 3.95Å; L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 WeakPolarHBondContact O-CG2 3.37Å; L244-V248 PolarHBondContact O-N 3.39Å; V248-Q250 VanDerWaalsContact C-N 3.35Å; V248-Q250 PolarHBondContact O-N 3.39Å; V248-I251 PolarHBondContact O-N 3.46Å; V248-L252 HydrophobicContact CG1-CD1 3.79Å; V248-L252 HydrophobicContact CG1-CG 4.5Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 PolarHBondContact O-N 3.49Å |
| 249 | P | 88.9 | Confident | 86.2 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -36 | 173.4 | -22.3 | 34.5 | 0 | 0 | 0 | 113.5 | Y48 M245 I251 L252 A253 N256 | Y48-P249 HydrophobicContact CD2-CG 4.39Å; Y48-P249 HydrophobicContact CE2-CB 4.15Å; Y48-P249 HydrophobicContact CE2-CG 3.67Å; M245-P249 WeakPolarHBondContact O-CD 3.44Å; M245-P249 WeakPolarHBondContact O-CG 3.42Å; P249-I251 PolarHBondContact O-N 3.39Å; P249-L252 PolarHBondContact O-N 3.26Å; P249-A253 HydrophobicContact CB-CB 4.43Å; P249-A253 WeakPolarHBondContact O-CB 3.4Å; P249-A253 PolarHBondContact O-N 3.4Å; P249-N256 PolarHBondContact O-ND2 2.78Å |
| 250 | Q | 85.6 | Confident | 85.8 | Confident | 97 Ų | 97 | 37.5 Ų | 37.5 | 45% | 0.453 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.7 | -32.9 | 176.1 | -172.8 | -178.3 | 3.7 | 0 | 0 | 112.1 | N246 F247 V248 N256 | N246-Q250 WeakPolarHBondContact O-CB 3.27Å; N246-Q250 PolarHBondContact O-N 3.35Å; F247-Q250 WeakPolarHBondContact O-CB 3.25Å; F247-Q250 PolarHBondContact O-N 3.44Å; V248-Q250 VanDerWaalsContact C-N 3.35Å; V248-Q250 PolarHBondContact O-N 3.39Å; Q250-N256 WeakPolarHBondContact O-CB 3.02Å; Q250-N256 PolarHBondContact O-ND2 2.86Å |
| 251 | I | 82.6 | Confident | 85.2 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -87.4 | -42.9 | 177.8 | -61.3 | -57.3 | 0 | 0 | 0 | 112.5 | V28 F45 R124 I126 F247 V248 P249 | V28-I251 HydrophobicContact CG1-CG2 3.91Å; F45-I251 HydrophobicContact CE2-CG2 4.41Å; F45-I251 HydrophobicContact CZ-CG2 4.42Å; R124-I251 PolarHBondContact NH1-O 3.31Å; I126-I251 HydrophobicContact CD1-CD1 4.45Å; I126-I251 HydrophobicContact CD1-CG1 4.3Å; I126-I251 HydrophobicContact CD1-CG2 3.81Å; F247-I251 HydrophobicContact CD2-CG1 4.11Å; F247-I251 HydrophobicContact CE1-CG1 4.47Å; F247-I251 HydrophobicContact CE2-CD1 3.96Å; F247-I251 HydrophobicContact CE2-CG1 3.64Å; F247-I251 HydrophobicContact CZ-CD1 4.4Å; F247-I251 HydrophobicContact CZ-CG1 3.84Å; F247-I251 WeakPolarHBondContact O-CG1 3.34Å; F247-I251 PolarHBondContact O-N 3.06Å; V248-I251 PolarHBondContact O-N 3.46Å; P249-I251 PolarHBondContact O-N 3.39Å |
| 252 | L | 86 | Confident | 84.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -114.9 | -8.5 | -161.8 | -64 | 179.4 | 0 | 0 | 0 | 115.9 | V28 F45 Y48 L49 V248 P249 L257 | V28-L252 HydrophobicContact CB-CD2 4.27Å; V28-L252 HydrophobicContact CG1-CD2 4.15Å; V28-L252 HydrophobicContact CG2-CD2 3.83Å; F45-L252 HydrophobicContact CB-CD1 3.46Å; F45-L252 VanDerWaalsContact CB-CD1 3.46Å; F45-L252 HydrophobicContact CD1-CD1 3.91Å; F45-L252 HydrophobicContact CD2-CD1 3.98Å; F45-L252 HydrophobicContact CG-CD1 3.54Å; F45-L252 HydrophobicContact CG-CG 4.5Å; Y48-L252 HydrophobicContact CD1-CB 3.72Å; Y48-L252 HydrophobicContact CD1-CD1 4.01Å; Y48-L252 HydrophobicContact CE1-CB 3.64Å; L49-L252 HydrophobicContact CD1-CD1 4.38Å; L49-L252 HydrophobicContact CD2-CB 4.2Å; L49-L252 HydrophobicContact CD2-CD1 4.36Å; L49-L252 HydrophobicContact CG-CD1 4.13Å; V248-L252 HydrophobicContact CG1-CD1 3.79Å; V248-L252 HydrophobicContact CG1-CG 4.5Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 PolarHBondContact O-N 3.49Å; P249-L252 PolarHBondContact O-N 3.26Å; L252-L257 HydrophobicContact CD2-CD2 4.39Å |
| 253 | A | 85 | Confident | 83.6 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -57.9 | 143 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P249 N255 N256 L257 | P249-A253 HydrophobicContact CB-CB 4.43Å; P249-A253 WeakPolarHBondContact O-CB 3.4Å; P249-A253 PolarHBondContact O-N 3.4Å; A253-N255 PolarHBondContact O-N 2.98Å; A253-N256 PolarHBondContact O-N 2.86Å; A253-L257 PolarHBondContact O-N 2.96Å |
| 254 | P | 82.8 | Confident | 83.1 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 27% | 0.273 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -38.6 | -50.3 | 179.6 | -37.2 | 38.8 | 0 | 0 | 0 | 114.4 | V53 L92 I94 N256 L257 | V53-P254 HydrophobicContact CG1-CG 4.16Å; L92-P254 HydrophobicContact CD1-CG 4.48Å; I94-P254 WeakPolarHBondContact CD1-O 3.26Å; I94-P254 HydrophobicContact CG1-CB 3.86Å; I94-P254 WeakPolarHBondContact CG1-O 3.45Å; I94-P254 WeakPolarHBondContact CG2-O 3.25Å; P254-N256 VanDerWaalsContact C-N 3.3Å; P254-N256 PolarHBondContact O-N 3.38Å; P254-L257 PolarHBondContact O-N 3.44Å |
| 255 | N | 83.8 | Confident | 82.7 | Confident | 147 Ų | 147 | 52.3 Ų | 52.3 | 79% | 0.786 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -73.2 | -16.9 | -176 | -62.1 | -20.3 | 0 | 0 | 0 | 114.6 | A253 | A253-N255 PolarHBondContact O-N 2.98Š|
| 256 | N | 82.4 | Confident | 82.5 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -93.2 | -13.9 | -177.3 | -69.3 | -25.6 | 0 | 0 | 0 | 112.6 | R124 P249 Q250 A253 P254 | R124-N256 PolarHBondContact NH1-O 3.13Å; R124-N256 PolarHBondContact NH2-O 3.45Å; P249-N256 PolarHBondContact O-ND2 2.78Å; Q250-N256 WeakPolarHBondContact O-CB 3.02Å; Q250-N256 PolarHBondContact O-ND2 2.86Å; A253-N256 PolarHBondContact O-N 2.86Å; P254-N256 VanDerWaalsContact C-N 3.3Å; P254-N256 PolarHBondContact O-N 3.38Å |
| 257 | L | 79.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | trans | -73.6 | 139.7 | -173.3 | -67.6 | 156 | 0 | 0 | 0 | 111.7 | V28 L92 I94 I100 L252 A253 P254 | V28-L257 HydrophobicContact CG2-CD2 4.32Å; L92-L257 HydrophobicContact CD1-CD1 3.62Å; I94-L257 HydrophobicContact CD1-CB 3.97Å; I94-L257 HydrophobicContact CD1-CD1 3.4Å; I94-L257 HydrophobicContact CD1-CG 4.34Å; I94-L257 HydrophobicContact CG1-CD1 4.44Å; I100-L257 HydrophobicContact CD1-CD1 3.41Å; I100-L257 VanDerWaalsContact CD1-CD1 3.41Å; I100-L257 HydrophobicContact CD1-CD2 3.58Å; I100-L257 HydrophobicContact CD1-CG 4.12Å; I100-L257 HydrophobicContact CG1-CD1 3.6Å; I100-L257 HydrophobicContact CG1-CD2 3.76Å; I100-L257 HydrophobicContact CG1-CG 4.28Å; L252-L257 HydrophobicContact CD2-CD2 4.39Å; A253-L257 PolarHBondContact O-N 2.96Å; P254-L257 PolarHBondContact O-N 3.44Å | ||
| 258 | V | 77.6 | Confident | 82.3 | Confident | 34 Ų | 34 | 49 Ų | 49 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | trans | -114.2 | 115 | -174.5 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | S26 R123 K260 | S26-V258 PolarHBondContact OG-O 2.83Å; R123-V258 HydrophobicContact CG-CB 4.26Å; R123-V258 HydrophobicContact CG-CG1 3.64Å; V258-K260 PolarHBondContact O-N 3.15Å | ||
| 259 | I | 80.8 | Confident | 82.3 | Confident | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 133 | 176.8 | -58.3 | 173.6 | 0 | 0 | 0 | 109.3 | S98 K261 E266 | S98-I259 WeakPolarHBondContact OG-CD1 3.34Å; I259-K261 PolarHBondContact O-N 2.88Å; I259-E266 HydrophobicContact CG2-CB 4.05Å; I259-E266 HydrophobicContact CG2-CG 3.76Å |
| 260 | K | 79.4 | Confident | 82.4 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | trans | -66.9 | 126 | 175.2 | -177.7 | 63.8 | 174.8 | -177.8 | 0 | 108.8 | V25 I27 V120 F121 R123 V258 I267 | V25-K260 HydrophobicContact CG1-CB 4.02Å; V25-K260 WeakPolarHBondContact O-CB 3.46Å; V25-K260 PolarHBondContact O-N 2.98Å; I27-K260 HydrophobicContact CD1-CG 4.49Å; V120-K260 PolarHBondContact O-NZ 3.3Å; F121-K260 VanDerWaalsContact C-NZ 3.34Å; F121-K260 WeakPolarHBondContact O-CD 3.43Å; F121-K260 WeakPolarHBondContact O-CE 3.34Å; F121-K260 PolarHBondContact O-NZ 3.41Å; R123-K260 HydrophobicContact CB-CD 3.91Å; V258-K260 PolarHBondContact O-N 3.15Å; K260-I267 HydrophobicContact CB-CD1 4.24Å; K260-I267 HydrophobicContact CB-CG1 4.11Å; K260-I267 HydrophobicContact CG-CD1 3.56Å; K260-I267 HydrophobicContact CG-CG1 3.94Å; K260-I267 PolarHBondContact O-N 2.98Å | ||
| 261 | K | 78.1 | Confident | 82.6 | Confident | 95 Ų | 95 | 51 Ų | 51 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.8 | 172.3 | -61.3 | -176.2 | -178.9 | -165.2 | 0 | 109.3 | I259 R265 E266 | I259-K261 PolarHBondContact O-N 2.88Å; K261-R265 CarbonylContact C-O 3.49Å; K261-R265 WeakPolarHBondContact CA-O 3.46Å; K261-E266 HydrophobicContact CD-CG 4.22Å; K261-E266 WeakPolarHBondContact CE-OE1 3.46Å; K261-E266 HydrophobicContact CG-CG 3.92Å; K261-E266 IonicContact NZ-OE1 3.78Å |
| 262 | I | 74.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.3 | 168.1 | -62.4 | 179.4 | 0 | 0 | 0 | 105.7 | G264 R265 I267 Y275 | I262-G264 PolarHBondContact O-N 3.15Å; I262-R265 PolarHBondContact N-O 2.92Å; I262-R265 PolarHBondContact O-N 3.01Å; I262-I267 HydrophobicContact CB-CG2 4.14Å; I262-I267 HydrophobicContact CD1-CD1 3.81Å; I262-I267 HydrophobicContact CD1-CG2 4.38Å; I262-I267 HydrophobicContact CG1-CD1 4.24Å; I262-I267 HydrophobicContact CG1-CG2 4.23Å; I262-Y275 HydrophobicContact CB-CE1 4.42Å; I262-Y275 HydrophobicContact CD1-CD1 3.6Å; I262-Y275 HydrophobicContact CD1-CD2 3.64Å; I262-Y275 HydrophobicContact CD1-CE1 3.57Å; I262-Y275 HydrophobicContact CD1-CE2 3.63Å; I262-Y275 HydrophobicContact CD1-CG 3.64Å; I262-Y275 HydrophobicContact CG2-CE1 3.84Å |
| 263 | N | 73.5 | Confident | 82.9 | Confident | 101 Ų | 101 | 50.9 Ų | 50.9 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 40.5 | -177 | -59.7 | -3.7 | 0 | 0 | 0 | 113.1 | D154 R265 | D154-N263 PolarHBondContact OD2-ND2 3.45Å; D154-N263 PolarHBondContact OD2-OD1 3.23Å; N263-R265 PolarHBondContact O-N 3.27Å; N263-R265 VanDerWaalsContact O-N 3.16Å |
| 264 | G | 77.5 | Confident | 83.1 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | -11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | I262 | I262-G264 PolarHBondContact O-N 3.15Š|
| 265 | R | 82.8 | Confident | 83.1 | Confident | 159 Ų | 159 | 55.6 Ų | 55.6 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.6 | 179.9 | -177.7 | 176.7 | 169.5 | -153.3 | -13.5 | 111.4 | K261 I262 N263 E271 | K261-R265 CarbonylContact C-O 3.49Å; K261-R265 WeakPolarHBondContact CA-O 3.46Å; I262-R265 PolarHBondContact N-O 2.92Å; I262-R265 PolarHBondContact O-N 3.01Å; N263-R265 PolarHBondContact O-N 3.27Å; N263-R265 VanDerWaalsContact O-N 3.16Å; R265-E271 IonicContact CZ-OE1 3.12Å; R265-E271 IonicContact NH1-OE1 3.81Å; R265-E271 IonicContact NH2-OE1 3.69Å; R265-E271 PolarHBondContact NH2-OE1 2.87Å; R265-E271 IonicContact NH2-OE2 3.53Å |
| 266 | E | 86 | Confident | 83 | Confident | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.6 | 170.5 | -66.4 | -178.5 | -170 | 0 | 0 | 110.6 | S24 I259 K261 | S24-E266 PolarHBondContact OG-OE2 3.19Å; I259-E266 HydrophobicContact CG2-CB 4.05Å; I259-E266 HydrophobicContact CG2-CG 3.76Å; K261-E266 HydrophobicContact CD-CG 4.22Å; K261-E266 WeakPolarHBondContact CE-OE1 3.46Å; K261-E266 HydrophobicContact CG-CG 3.92Å; K261-E266 IonicContact NZ-OE1 3.78Å |
| 267 | I | 83.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | trans | -107.3 | 145.3 | 179.7 | 69.1 | 174 | 0 | 0 | 0 | 110.7 | V25 K260 I262 E271 L272 Y275 | V25-I267 HydrophobicContact CG1-CD1 4.28Å; V25-I267 HydrophobicContact CG1-CG1 3.83Å; V25-I267 PolarHBondContact N-O 3.28Å; K260-I267 HydrophobicContact CB-CD1 4.24Å; K260-I267 HydrophobicContact CB-CG1 4.11Å; K260-I267 HydrophobicContact CG-CD1 3.56Å; K260-I267 HydrophobicContact CG-CG1 3.94Å; K260-I267 PolarHBondContact O-N 2.98Å; I262-I267 HydrophobicContact CB-CG2 4.14Å; I262-I267 HydrophobicContact CD1-CD1 3.81Å; I262-I267 HydrophobicContact CD1-CG2 4.38Å; I262-I267 HydrophobicContact CG1-CD1 4.24Å; I262-I267 HydrophobicContact CG1-CG2 4.23Å; I267-E271 VanDerWaalsContact CA-OE2 3.3Å; I267-E271 WeakPolarHBondContact CA-OE2 2.98Å; I267-E271 HydrophobicContact CB-CB 4.25Å; I267-L272 HydrophobicContact CD1-CB 4.26Å; I267-L272 HydrophobicContact CD1-CD1 3.91Å; I267-Y275 HydrophobicContact CD1-CD2 4.2Å; I267-Y275 HydrophobicContact CD1-CE2 4.43Å; I267-Y275 HydrophobicContact CG2-CE2 3.84Å | ||
| 268 | C | 89.4 | Confident | 83.3 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -90.3 | 171.2 | 171.4 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | K23 R270 E271 L272 | K23-C268 WeakPolarHBondContact O-CA 2.98Å; K23-C268 WeakPolarHBondContact O-CB 3.5Å; C268-R270 VanDerWaalsContact C-N 3.29Å; C268-R270 PolarHBondContact O-N 3.39Å; C268-E271 PolarHBondContact N-OE2 2.69Å; C268-E271 PolarHBondContact O-N 2.77Å; C268-E271 VanDerWaalsContact SG-CG 3.6Å; C268-E271 PolarHBondContact SG-N 3.26Å; C268-E271 VanDerWaalsContact SG-N 3.44Å; C268-L272 WeakPolarHBondContact O-CB 3.44Å; C268-L272 PolarHBondContact O-N 3.12Å |
| 269 | C | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -38 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | L15 V20 A21 K23 L272 L273 | L15-C269 HydrophobicContact CB-CB 4.37Å; L15-C269 HydrophobicContact CD2-CB 4.28Å; L15-C269 VanDerWaalsContact O-CB 3.28Å; L15-C269 WeakPolarHBondContact O-CB 3.39Å; V20-C269 HydrophobicContact CG2-CB 4.32Å; V20-C269 PolarHBondContact O-SG 3.45Å; V20-C269 VanDerWaalsContact O-SG 3.41Å; A21-C269 PolarHBondContact O-N 3.24Å; K23-C269 PolarHBondContact O-N 3.23Å; C269-L272 WeakPolarHBondContact O-CB 3.39Å; C269-L272 PolarHBondContact O-N 3.41Å; C269-L273 PolarHBondContact O-N 3.48Å |
| 270 | R | 91.3 | Very high | 83 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.1 | -177.2 | -176.5 | -63.7 | 137.3 | 11 | 111.5 | L16 A21 D22 C268 L272 L273 | L16-R270 HydrophobicContact CD2-CB 3.99Å; L16-R270 HydrophobicContact CD2-CG 3.8Å; A21-R270 PolarHBondContact O-N 3.41Å; D22-R270 IonicContact OD1-CZ 3.55Å; D22-R270 IonicContact OD1-NH1 3.39Å; D22-R270 PolarHBondContact OD1-NH1 3.46Å; D22-R270 IonicContact OD1-NH2 2.83Å; D22-R270 PolarHBondContact OD1-NH2 3.2Å; D22-R270 IonicContact OD2-CZ 4Å; D22-R270 IonicContact OD2-NH2 3.37Å; D22-R270 PolarHBondContact OD2-NH2 3Å; D22-R270 VanDerWaalsContact OD2-NH2 3.11Å; C268-R270 VanDerWaalsContact C-N 3.29Å; C268-R270 PolarHBondContact O-N 3.39Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 3.29Å; R270-L273 WeakPolarHBondContact O-CB 3.34Å; R270-L273 PolarHBondContact O-N 3.28Å |
| 271 | E | 90.3 | Very high | 83 | Confident | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.6 | -71.2 | 170.5 | 144.7 | 0 | 0 | 111.3 | R265 I267 C268 L273 E274 Y275 | R265-E271 IonicContact CZ-OE1 3.12Å; R265-E271 IonicContact NH1-OE1 3.81Å; R265-E271 IonicContact NH2-OE1 3.69Å; R265-E271 PolarHBondContact NH2-OE1 2.87Å; R265-E271 IonicContact NH2-OE2 3.53Å; I267-E271 VanDerWaalsContact CA-OE2 3.3Å; I267-E271 WeakPolarHBondContact CA-OE2 2.98Å; I267-E271 HydrophobicContact CB-CB 4.25Å; C268-E271 PolarHBondContact N-OE2 2.69Å; C268-E271 PolarHBondContact O-N 2.77Å; C268-E271 VanDerWaalsContact SG-CG 3.6Å; C268-E271 PolarHBondContact SG-N 3.26Å; C268-E271 VanDerWaalsContact SG-N 3.44Å; E271-L273 VanDerWaalsContact C-N 3.26Å; E271-L273 PolarHBondContact O-N 3.45Å; E271-E274 WeakPolarHBondContact O-CB 3.25Å; E271-E274 PolarHBondContact O-N 3.12Å; E271-Y275 HydrophobicContact CB-CE2 4.43Å; E271-Y275 WeakPolarHBondContact O-CD2 3.47Å; E271-Y275 PolarHBondContact O-N 2.9Å |
| 272 | L | 86.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -38.3 | 177.1 | -179.6 | 66.3 | 0 | 0 | 0 | 112.5 | L15 V25 I27 I101 F121 I267 C268 C269 R270 Y275 F276 | L15-L272 HydrophobicContact CD1-CB 4.46Å; L15-L272 HydrophobicContact CD1-CD2 4.19Å; L15-L272 HydrophobicContact CD1-CG 4.26Å; L15-L272 HydrophobicContact CD2-CD2 4.21Å; V25-L272 HydrophobicContact CG1-CD2 4.14Å; V25-L272 HydrophobicContact CG2-CD2 4.05Å; I27-L272 HydrophobicContact CD1-CD1 3.75Å; I27-L272 HydrophobicContact CD1-CD2 3.68Å; I27-L272 HydrophobicContact CD1-CG 4.39Å; I27-L272 HydrophobicContact CG1-CD2 4.46Å; I101-L272 HydrophobicContact CD1-CD2 3.94Å; F121-L272 HydrophobicContact CD1-CD1 4.31Å; I267-L272 HydrophobicContact CD1-CB 4.26Å; I267-L272 HydrophobicContact CD1-CD1 3.91Å; C268-L272 WeakPolarHBondContact O-CB 3.44Å; C268-L272 PolarHBondContact O-N 3.12Å; C269-L272 WeakPolarHBondContact O-CB 3.39Å; C269-L272 PolarHBondContact O-N 3.41Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 3.29Å; L272-Y275 PolarHBondContact O-N 3.43Å; L272-F276 HydrophobicContact CD1-CD2 4.2Å; L272-F276 HydrophobicContact CD1-CE2 3.93Å; L272-F276 HydrophobicContact CD2-CE2 4.12Å; L272-F276 HydrophobicContact CG-CD2 3.93Å; L272-F276 HydrophobicContact CG-CE2 3.79Å; L272-F276 VanDerWaalsContact O-CD2 3.28Å; L272-F276 WeakPolarHBondContact O-CD2 3.46Å; L272-F276 PolarHBondContact O-N 3.38Å |
| 273 | L | 87.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.2 | 178.3 | 63.3 | 0 | 0 | 0 | 111.8 | L11 S12 L15 L16 C269 R270 E271 Y275 F276 R277 | L11-L273 HydrophobicContact CB-CD1 4.24Å; L11-L273 HydrophobicContact CD2-CD1 3.62Å; L11-L273 HydrophobicContact CG-CD1 3.81Å; S12-L273 WeakPolarHBondContact OG-CD2 3.23Å; L15-L273 HydrophobicContact CD1-CB 3.97Å; L16-L273 HydrophobicContact CD1-CD2 3.77Å; L16-L273 HydrophobicContact CD2-CD2 4.03Å; L16-L273 HydrophobicContact CG-CD2 3.87Å; C269-L273 PolarHBondContact O-N 3.48Å; R270-L273 WeakPolarHBondContact O-CB 3.34Å; R270-L273 PolarHBondContact O-N 3.28Å; E271-L273 VanDerWaalsContact C-N 3.26Å; E271-L273 PolarHBondContact O-N 3.45Å; L273-Y275 VanDerWaalsContact C-N 3.32Å; L273-Y275 PolarHBondContact O-N 3.29Å; L273-F276 WeakPolarHBondContact O-CB 3.41Å; L273-F276 PolarHBondContact O-N 3.49Å; L273-F276 VanDerWaalsContact O-N 3.11Å; L273-R277 PolarHBondContact O-N 2.98Å |
| 274 | E | 89.4 | Confident | 82.6 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 177.3 | -57.9 | -55.1 | 158.1 | 0 | 0 | 111.7 | E271 F276 R277 S278 | E271-E274 WeakPolarHBondContact O-CB 3.25Å; E271-E274 PolarHBondContact O-N 3.12Å; E274-F276 VanDerWaalsContact C-N 3.34Å; E274-R277 PolarHBondContact O-N 3.34Å; E274-R277 IonicContact OE1-CZ 3.44Å; E274-R277 IonicContact OE1-NH1 3.84Å; E274-R277 PolarHBondContact OE1-NH1 2.66Å; E274-R277 WeakPolarHBondContact OE2-CD 3.44Å; E274-R277 IonicContact OE2-CZ 3.12Å; E274-R277 IonicContact OE2-NH1 2.98Å; E274-R277 PolarHBondContact OE2-NH1 3.46Å; E274-S278 WeakPolarHBondContact O-CB 3.22Å; E274-S278 PolarHBondContact O-N 3.43Å; E274-S278 PolarHBondContact O-OG 2.85Å |
| 275 | Y | 83.5 | Confident | 82.4 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 170.2 | -75.2 | -71.4 | 0 | 0 | 0 | 111.8 | I262 I267 E271 L272 L273 R277 S278 Y279 | I262-Y275 HydrophobicContact CB-CE1 4.42Å; I262-Y275 HydrophobicContact CD1-CD1 3.6Å; I262-Y275 HydrophobicContact CD1-CD2 3.64Å; I262-Y275 HydrophobicContact CD1-CE1 3.57Å; I262-Y275 HydrophobicContact CD1-CE2 3.63Å; I262-Y275 HydrophobicContact CD1-CG 3.64Å; I262-Y275 HydrophobicContact CG2-CE1 3.84Å; I267-Y275 HydrophobicContact CD1-CD2 4.2Å; I267-Y275 HydrophobicContact CD1-CE2 4.43Å; I267-Y275 HydrophobicContact CG2-CE2 3.84Å; E271-Y275 HydrophobicContact CB-CE2 4.43Å; E271-Y275 WeakPolarHBondContact O-CD2 3.47Å; E271-Y275 PolarHBondContact O-N 2.9Å; L272-Y275 PolarHBondContact O-N 3.43Å; L273-Y275 VanDerWaalsContact C-N 3.32Å; L273-Y275 PolarHBondContact O-N 3.29Å; Y275-R277 PolarHBondContact O-N 3.36Å; Y275-S278 PolarHBondContact O-N 2.86Å; Y275-Y279 HydrophobicContact CD1-CE2 4.03Å; Y275-Y279 AromaticContact CD1-CZ 3.92Å; Y275-Y279 HydrophobicContact CG-CE2 4.49Å; Y275-Y279 WeakPolarHBondContact O-CD2 3.4Å; Y275-Y279 PolarHBondContact O-N 3.19Å |
| 276 | F | 81.9 | Confident | 81.9 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.3 | -90.5 | -73.1 | 0 | 0 | 0 | 111.8 | L6 L11 L15 F118 F121 L272 L273 E274 S278 M280 | L6-F276 HydrophobicContact CD1-CD1 4.47Å; L6-F276 HydrophobicContact CD2-CB 4.15Å; L11-F276 HydrophobicContact CD2-CB 3.85Å; L11-F276 HydrophobicContact CD2-CD1 4.33Å; L11-F276 HydrophobicContact CD2-CD2 3.79Å; L11-F276 HydrophobicContact CD2-CE2 4.43Å; L11-F276 HydrophobicContact CD2-CG 3.74Å; L15-F276 HydrophobicContact CD1-CD2 4.44Å; F118-F276 HydrophobicContact CD1-CE1 4.09Å; F118-F276 HydrophobicContact CE1-CD1 4.47Å; F118-F276 HydrophobicContact CE1-CE1 4.09Å; F121-F276 HydrophobicContact CB-CZ 4.24Å; F121-F276 HydrophobicContact CD1-CD1 4.03Å; F121-F276 HydrophobicContact CD1-CD2 4.15Å; F121-F276 AromaticContact CD1-CE1 3.89Å; F121-F276 HydrophobicContact CD1-CE1 3.89Å; F121-F276 HydrophobicContact CD1-CE2 4.01Å; F121-F276 HydrophobicContact CD1-CG 4.15Å; F121-F276 AromaticContact CD1-CZ 3.88Å; F121-F276 HydrophobicContact CD1-CZ 3.88Å; F121-F276 HydrophobicContact CD2-CD1 4.21Å; F121-F276 AromaticContact CD2-CE1 3.72Å; F121-F276 HydrophobicContact CD2-CE1 3.72Å; F121-F276 HydrophobicContact CD2-CZ 4.21Å; F121-F276 VanDerWaalsContact CE1-CA 3.47Å; F121-F276 HydrophobicContact CE1-CB 4.11Å; F121-F276 AromaticContact CE1-CD1 3.51Å; F121-F276 HydrophobicContact CE1-CD1 3.51Å; F121-F276 AromaticContact CE1-CD2 3.98Å; F121-F276 HydrophobicContact CE1-CD2 3.98Å; F121-F276 AromaticContact CE1-CE1 3.84Å; F121-F276 HydrophobicContact CE1-CE1 3.84Å; F121-F276 HydrophobicContact CE1-CE2 4.28Å; F121-F276 AromaticContact CE1-CG 3.58Å; F121-F276 HydrophobicContact CE1-CG 3.58Å; F121-F276 HydrophobicContact CE1-CZ 4.21Å; F121-F276 AromaticContact CE2-CD1 3.75Å; F121-F276 HydrophobicContact CE2-CD1 3.75Å; F121-F276 AromaticContact CE2-CE1 3.71Å; F121-F276 HydrophobicContact CE2-CE1 3.71Å; F121-F276 HydrophobicContact CG-CD1 4.33Å; F121-F276 AromaticContact CG-CE1 3.8Å; F121-F276 HydrophobicContact CG-CE1 3.8Å; F121-F276 HydrophobicContact CG-CE2 4.41Å; F121-F276 AromaticContact CG-CZ 3.84Å; F121-F276 HydrophobicContact CG-CZ 3.84Å; F121-F276 HydrophobicContact CZ-CB 4.28Å; F121-F276 AromaticContact CZ-CD1 3.33Å; F121-F276 HydrophobicContact CZ-CD1 3.33Å; F121-F276 AromaticContact CZ-CE1 3.73Å; F121-F276 HydrophobicContact CZ-CE1 3.73Å; F121-F276 AromaticContact CZ-CG 3.84Å; F121-F276 HydrophobicContact CZ-CG 3.84Å; L272-F276 HydrophobicContact CD1-CD2 4.2Å; L272-F276 HydrophobicContact CD1-CE2 3.93Å; L272-F276 HydrophobicContact CD2-CE2 4.12Å; L272-F276 HydrophobicContact CG-CD2 3.93Å; L272-F276 HydrophobicContact CG-CE2 3.79Å; L272-F276 VanDerWaalsContact O-CD2 3.28Å; L272-F276 WeakPolarHBondContact O-CD2 3.46Å; L272-F276 PolarHBondContact O-N 3.38Å; L273-F276 WeakPolarHBondContact O-CB 3.41Å; L273-F276 PolarHBondContact O-N 3.49Å; L273-F276 VanDerWaalsContact O-N 3.11Å; E274-F276 VanDerWaalsContact C-N 3.34Å; F276-S278 PolarHBondContact O-N 3.04Å; F276-M280 VanDerWaalsContact O-CB 3.24Å; F276-M280 WeakPolarHBondContact O-CB 3.34Å; F276-M280 WeakPolarHBondContact O-CG 3.39Å; F276-M280 PolarHBondContact O-N 3.44Å |
| 277 | R | 85.1 | Confident | 81.2 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.7 | -70.9 | 174.9 | 176.2 | 149.2 | 2.4 | 111.9 | L6 E8 L273 E274 Y275 M280 K281 | L6-R277 HydrophobicContact CD2-CG 4.46Å; E8-R277 VanDerWaalsContact CD-NE 3.27Å; E8-R277 IonicContact OE1-CZ 2.83Å; E8-R277 IonicContact OE1-NE 3.85Å; E8-R277 PolarHBondContact OE1-NE 3.23Å; E8-R277 IonicContact OE1-NH2 2.7Å; E8-R277 PolarHBondContact OE1-NH2 3.4Å; E8-R277 IonicContact OE2-NE 3.66Å; L273-R277 PolarHBondContact O-N 2.98Å; E274-R277 PolarHBondContact O-N 3.34Å; E274-R277 IonicContact OE1-CZ 3.44Å; E274-R277 IonicContact OE1-NH1 3.84Å; E274-R277 PolarHBondContact OE1-NH1 2.66Å; E274-R277 WeakPolarHBondContact OE2-CD 3.44Å; E274-R277 IonicContact OE2-CZ 3.12Å; E274-R277 IonicContact OE2-NH1 2.98Å; E274-R277 PolarHBondContact OE2-NH1 3.46Å; Y275-R277 PolarHBondContact O-N 3.36Å; R277-M280 PolarHBondContact O-N 2.93Å; R277-K281 WeakPolarHBondContact O-CG 3.31Å; R277-K281 PolarHBondContact O-N 2.85Å |
| 278 | S | 81.8 | Confident | 80.5 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.7 | -50.5 | -174 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | E274 Y275 F276 M280 K281 V282 | E274-S278 WeakPolarHBondContact O-CB 3.22Å; E274-S278 PolarHBondContact O-N 3.43Å; E274-S278 PolarHBondContact O-OG 2.85Å; Y275-S278 PolarHBondContact O-N 2.86Å; F276-S278 PolarHBondContact O-N 3.04Å; S278-M280 VanDerWaalsContact C-N 3.32Å; S278-M280 PolarHBondContact O-N 2.89Å; S278-K281 WeakPolarHBondContact O-CB 3.43Å; S278-K281 PolarHBondContact O-N 3.39Å; S278-K281 VanDerWaalsContact O-N 3.15Å; S278-V282 PolarHBondContact O-N 3.39Å |
| 279 | Y | 76.5 | Confident | 79.7 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.2 | -33.1 | 178.1 | -61.4 | -38.3 | 0 | 0 | 0 | 112.2 | V120 F121 L152 Y275 K281 V282 F283 | V120-Y279 HydrophobicContact CB-CD2 4.5Å; V120-Y279 HydrophobicContact CG1-CD2 3.64Å; V120-Y279 HydrophobicContact CG1-CE1 4.26Å; V120-Y279 HydrophobicContact CG1-CE2 3.33Å; V120-Y279 HydrophobicContact CG1-CG 4.3Å; F121-Y279 HydrophobicContact CD1-CD2 4.06Å; F121-Y279 HydrophobicContact CD1-CE2 4.37Å; F121-Y279 AromaticContact CE1-CD2 3.37Å; F121-Y279 HydrophobicContact CE1-CD2 3.37Å; F121-Y279 HydrophobicContact CE1-CE2 4.02Å; F121-Y279 HydrophobicContact CE1-CG 4.38Å; F121-Y279 HydrophobicContact CE2-CD2 4.14Å; F121-Y279 AromaticContact CZ-CD2 3.43Å; F121-Y279 HydrophobicContact CZ-CD2 3.43Å; F121-Y279 VanDerWaalsContact CZ-CD2 3.43Å; F121-Y279 HydrophobicContact CZ-CE2 4.46Å; F121-Y279 HydrophobicContact CZ-CG 4.09Å; L152-Y279 HydrophobicContact CD2-CE1 4.15Å; L152-Y279 WeakPolarHBondContact CD2-OH 3.12Å; Y275-Y279 HydrophobicContact CD1-CE2 4.03Å; Y275-Y279 AromaticContact CD1-CZ 3.92Å; Y275-Y279 HydrophobicContact CG-CE2 4.49Å; Y275-Y279 WeakPolarHBondContact O-CD2 3.4Å; Y275-Y279 PolarHBondContact O-N 3.19Å; Y279-K281 VanDerWaalsContact C-N 3.26Å; Y279-K281 PolarHBondContact O-N 3.08Å; Y279-V282 PolarHBondContact O-N 2.99Å; Y279-F283 WeakPolarHBondContact O-CB 3.47Å; Y279-F283 WeakPolarHBondContact O-CD2 3.13Å; Y279-F283 WeakPolarHBondContact O-CG 3.3Å; Y279-F283 PolarHBondContact O-N 3.01Å |
| 280 | M | 77.5 | Confident | 78.8 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 173.6 | -76 | -64.2 | -57 | 0 | 0 | 112.8 | F4 L6 F118 F276 R277 S278 A284 | F4-M280 HydrophobicContact CB-CE 3.94Å; L6-M280 HydrophobicContact CB-CE 4.34Å; L6-M280 HydrophobicContact CB-CG 4.17Å; L6-M280 HydrophobicContact CD2-CG 4.3Å; F118-M280 HydrophobicContact CE1-SD 4.37Å; F118-M280 HydrophobicContact CZ-SD 4.02Å; F276-M280 VanDerWaalsContact O-CB 3.24Å; F276-M280 WeakPolarHBondContact O-CB 3.34Å; F276-M280 WeakPolarHBondContact O-CG 3.39Å; F276-M280 PolarHBondContact O-N 3.44Å; R277-M280 PolarHBondContact O-N 2.93Å; S278-M280 VanDerWaalsContact C-N 3.32Å; S278-M280 PolarHBondContact O-N 2.89Å; M280-A284 VanDerWaalsContact O-CB 3.31Å; M280-A284 WeakPolarHBondContact O-CB 3.41Å; M280-A284 PolarHBondContact O-N 3.37Å |
| 281 | K | 78.6 | Confident | 77.7 | Confident | 160 Ų | 160 | 61 Ų | 61 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.5 | -47.3 | 172.1 | -69.6 | 174.2 | -178.7 | 179.1 | 0 | 111.8 | R277 S278 Y279 F283 A284 G285 | R277-K281 WeakPolarHBondContact O-CG 3.31Å; R277-K281 PolarHBondContact O-N 2.85Å; S278-K281 WeakPolarHBondContact O-CB 3.43Å; S278-K281 PolarHBondContact O-N 3.39Å; S278-K281 VanDerWaalsContact O-N 3.15Å; Y279-K281 VanDerWaalsContact C-N 3.26Å; Y279-K281 PolarHBondContact O-N 3.08Å; K281-F283 VanDerWaalsContact C-N 3.27Å; K281-F283 PolarHBondContact O-N 3.05Å; K281-A284 PolarHBondContact O-N 3.49Å; K281-G285 PolarHBondContact O-N 2.83Å |
| 282 | V | 74.2 | Confident | 76.8 | Confident | 55 Ų | 55 | 62 Ų | 62 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | S278 Y279 A284 G285 L288 | S278-V282 PolarHBondContact O-N 3.39Å; Y279-V282 PolarHBondContact O-N 2.99Å; V282-A284 VanDerWaalsContact C-N 3.32Å; V282-A284 PolarHBondContact O-N 3.46Å; V282-G285 PolarHBondContact O-N 3.32Å; V282-L288 HydrophobicContact CG1-CD1 3.74Å; V282-L288 HydrophobicContact CG1-CG 4.24Å |
| 283 | F | 70.9 | Confident | 76.3 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.8 | -26.2 | 177.6 | -67.5 | -39 | 0 | 0 | 0 | 113.7 | R117 V120 Y147 A151 Y279 K281 G285 L288 | R117-F283 VanDerWaalsContact CA-CZ 3.46Å; R117-F283 HydrophobicContact CB-CD1 4.03Å; R117-F283 HydrophobicContact CB-CD2 3.56Å; R117-F283 HydrophobicContact CB-CE1 4Å; R117-F283 HydrophobicContact CB-CE2 3.54Å; R117-F283 HydrophobicContact CB-CG 3.83Å; R117-F283 HydrophobicContact CB-CZ 3.78Å; R117-F283 HydrophobicContact CG-CB 4.17Å; R117-F283 HydrophobicContact CG-CD1 3.45Å; R117-F283 VanDerWaalsContact CG-CD1 3.45Å; R117-F283 HydrophobicContact CG-CD2 3.85Å; R117-F283 HydrophobicContact CG-CE1 3.71Å; R117-F283 HydrophobicContact CG-CE2 4.1Å; R117-F283 HydrophobicContact CG-CG 3.54Å; R117-F283 HydrophobicContact CG-CZ 4.04Å; R117-F283 PolarHBondContact NH1-O 3.31Å; R117-F283 PolarHBondContact NH2-O 3.24Å; R117-F283 WeakPolarHBondContact O-CE2 3.06Å; R117-F283 WeakPolarHBondContact O-CZ 3.34Å; V120-F283 HydrophobicContact CG2-CZ 4.2Å; Y147-F283 HydrophobicContact CD1-CE1 4.12Å; Y147-F283 AromaticContact CE1-CD1 3.8Å; Y147-F283 HydrophobicContact CE1-CD1 3.8Å; Y147-F283 AromaticContact CE1-CE1 3.62Å; Y147-F283 HydrophobicContact CE1-CE1 3.62Å; A151-F283 HydrophobicContact CB-CE1 3.65Å; A151-F283 HydrophobicContact CB-CZ 3.85Å; Y279-F283 WeakPolarHBondContact O-CB 3.47Å; Y279-F283 WeakPolarHBondContact O-CD2 3.13Å; Y279-F283 WeakPolarHBondContact O-CG 3.3Å; Y279-F283 PolarHBondContact O-N 3.01Å; K281-F283 VanDerWaalsContact C-N 3.27Å; K281-F283 PolarHBondContact O-N 3.05Å; F283-G285 VanDerWaalsContact C-N 3.3Å; F283-L288 HydrophobicContact CD1-CD1 3.48Å; F283-L288 VanDerWaalsContact CD1-CD1 3.48Å; F283-L288 HydrophobicContact CE1-CD1 3.66Å |
| 284 | A | 73.6 | Confident | 75.7 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 69% | 0.686 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -76.5 | -20.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M280 K281 V282 | M280-A284 VanDerWaalsContact O-CB 3.31Å; M280-A284 WeakPolarHBondContact O-CB 3.41Å; M280-A284 PolarHBondContact O-N 3.37Å; K281-A284 PolarHBondContact O-N 3.49Å; V282-A284 VanDerWaalsContact C-N 3.32Å; V282-A284 PolarHBondContact O-N 3.46Å |
| 285 | G | 72.1 | Confident | 75.4 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -74.6 | 172.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K281 V282 F283 | K281-G285 PolarHBondContact O-N 2.83Å; V282-G285 PolarHBondContact O-N 3.32Å; F283-G285 VanDerWaalsContact C-N 3.3Å |
| 286 | E | 72.1 | Confident | 75.5 | Confident | 187 Ų | 187 | 70.9 Ų | 70.9 | 87% | 0.874 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -93.5 | -2.5 | 177 | -61.4 | -171.7 | 164.7 | 0 | 0 | 112.9 | L288 | E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.05Å |
| 287 | D | 71 | Confident | 75.6 | Confident | 150 Ų | 150 | 72.4 Ų | 72.4 | 80% | 0.802 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -69.2 | -27 | -174 | -58.5 | -41.1 | 0 | 0 | 0 | 113.3 | ||
| 288 | L | 69.4 | Low | 75.7 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -92.2 | 132.5 | 177.1 | -71.9 | 172.4 | 0 | 0 | 0 | 110.5 | Y147 L150 A151 V282 F283 E286 E290 | Y147-L288 HydrophobicContact CE1-CD1 3.99Å; Y147-L288 HydrophobicContact CE2-CB 4.3Å; L150-L288 HydrophobicContact CB-CD2 3.69Å; A151-L288 HydrophobicContact CB-CD1 4.17Å; V282-L288 HydrophobicContact CG1-CD1 3.74Å; V282-L288 HydrophobicContact CG1-CG 4.24Å; F283-L288 HydrophobicContact CD1-CD1 3.48Å; F283-L288 VanDerWaalsContact CD1-CD1 3.48Å; F283-L288 HydrophobicContact CE1-CD1 3.66Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.05Å; L288-E290 PolarHBondContact O-N 3.25Å |
| 289 | P | 71.9 | Confident | 76.1 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 135.6 | -179 | 25.1 | -33.9 | 0 | 0 | 0 | 110.5 | Y147 L150 P291 | Y147-P289 VanDerWaalsContact CE2-O 3.31Å; Y147-P289 WeakPolarHBondContact CE2-O 3.44Å; L150-P289 HydrophobicContact CD1-CG 4.02Å; P289-P291 WeakPolarHBondContact O-CD 3.16Å |
| 290 | E | 69.5 | Low | 76.7 | Confident | 109 Ų | 109 | 70.3 Ų | 70.3 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 128.3 | 174.7 | -72.3 | -151.2 | 142 | 0 | 0 | 110 | R113 L288 K292 | R113-E290 IonicContact CZ-OE1 2.69Å; R113-E290 IonicContact CZ-OE2 2.65Å; R113-E290 IonicContact NH1-OE1 3.47Å; R113-E290 PolarHBondContact NH1-OE1 3.03Å; R113-E290 IonicContact NH1-OE2 3.11Å; R113-E290 IonicContact NH2-OE1 3.49Å; R113-E290 PolarHBondContact NH2-OE1 3.48Å; R113-E290 IonicContact NH2-OE2 2.99Å; R113-E290 PolarHBondContact NH2-OE2 3.4Å; L288-E290 PolarHBondContact O-N 3.25Å; E290-K292 PolarHBondContact O-N 2.99Å |
| 291 | P | 68.4 | Low | 77.4 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 127.8 | 170.6 | -16.9 | 29.9 | 0 | 0 | 0 | 109.3 | E112 L116 Y147 P289 | E112-P291 HydrophobicContact CB-CB 4.23Å; L116-P291 HydrophobicContact CD1-CB 3.49Å; L116-P291 VanDerWaalsContact CD1-CB 3.49Å; L116-P291 HydrophobicContact CD1-CG 3.06Å; Y147-P291 HydrophobicContact CD2-CG 4.09Å; Y147-P291 HydrophobicContact CE2-CG 3.79Å; P289-P291 WeakPolarHBondContact O-CD 3.16Å |
| 292 | K | 71.1 | Confident | 78.1 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | trans | -117.3 | 147.7 | -179.9 | -67.1 | 177.3 | -170.2 | 179 | 0 | 108.7 | E290 L296 A297 E300 | E290-K292 PolarHBondContact O-N 2.99Å; K292-L296 HydrophobicContact CB-CB 4.33Å; K292-L296 HydrophobicContact CB-CD2 4.16Å; K292-L296 HydrophobicContact CB-CG 4.43Å; K292-L296 HydrophobicContact CD-CD2 4.16Å; K292-L296 HydrophobicContact CD-CG 4.34Å; K292-L296 HydrophobicContact CG-CD2 4.01Å; K292-A297 HydrophobicContact CB-CB 4.21Å; K292-E300 VanDerWaalsContact CD-OE2 3.25Å; K292-E300 WeakPolarHBondContact CD-OE2 3.16Å; K292-E300 WeakPolarHBondContact CE-OE2 3.43Å; K292-E300 IonicContact NZ-OE1 2.74Å; K292-E300 PolarHBondContact NZ-OE1 2.72Å; K292-E300 IonicContact NZ-OE2 3.98Å; K292-E300 PolarHBondContact NZ-OE2 3.17Å | ||
| 293 | S | 76.8 | Confident | 79.1 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | trans | -58.2 | 151.5 | 170.3 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | L295 L296 A297 | S293-L295 PolarHBondContact O-N 3.42Å; S293-L295 VanDerWaalsContact O-N 3.16Å; S293-L296 PolarHBondContact O-N 2.88Å; S293-L296 WeakPolarHBondContact OG-CB 3.46Å; S293-L296 PolarHBondContact OG-N 3.43Å; S293-A297 PolarHBondContact O-N 3.3Å | ||
| 294 | M | 75.1 | Confident | 80.2 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 62% | 0.621 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -54.1 | -38.8 | -178.5 | -174.8 | 178.7 | -79.4 | 0 | 0 | 112.5 | T298 | M294-T298 WeakPolarHBondContact O-CB 3.13Å; M294-T298 PolarHBondContact O-N 3.19Å; M294-T298 PolarHBondContact O-OG1 3.25Å |
| 295 | L | 82 | Confident | 81.2 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 57% | 0.571 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 175.8 | -173.9 | 160 | 0 | 0 | 0 | 111.3 | S293 T298 A299 | S293-L295 PolarHBondContact O-N 3.42Å; S293-L295 VanDerWaalsContact O-N 3.16Å; L295-T298 PolarHBondContact O-N 3.15Å; L295-A299 VanDerWaalsContact O-CB 3.23Å; L295-A299 WeakPolarHBondContact O-CB 3.42Å; L295-A299 PolarHBondContact O-N 2.96Å |
| 296 | L | 85.3 | Confident | 82.4 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | -177 | -172.9 | 67.7 | 0 | 0 | 0 | 111.6 | K292 S293 A299 E300 Y360 | K292-L296 HydrophobicContact CB-CB 4.33Å; K292-L296 HydrophobicContact CB-CD2 4.16Å; K292-L296 HydrophobicContact CB-CG 4.43Å; K292-L296 HydrophobicContact CD-CD2 4.16Å; K292-L296 HydrophobicContact CD-CG 4.34Å; K292-L296 HydrophobicContact CG-CD2 4.01Å; S293-L296 PolarHBondContact O-N 2.88Å; S293-L296 WeakPolarHBondContact OG-CB 3.46Å; S293-L296 PolarHBondContact OG-N 3.43Å; L296-A299 PolarHBondContact O-N 2.75Å; L296-E300 WeakPolarHBondContact O-CB 3.21Å; L296-E300 PolarHBondContact O-N 2.61Å; L296-Y360 HydrophobicContact CD1-CD2 4.33Å; L296-Y360 HydrophobicContact CD1-CE1 4.46Å; L296-Y360 HydrophobicContact CD1-CE2 3.53Å |
| 297 | A | 84.2 | Confident | 83.6 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K292 S293 A301 | K292-A297 HydrophobicContact CB-CB 4.21Å; S293-A297 PolarHBondContact O-N 3.3Å; A297-A301 WeakPolarHBondContact O-CB 3.36Å; A297-A301 PolarHBondContact O-N 3.38Å |
| 298 | T | 87.2 | Confident | 84.8 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 29% | 0.288 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | M294 L295 E300 A301 N302 M355 | M294-T298 WeakPolarHBondContact O-CB 3.13Å; M294-T298 PolarHBondContact O-N 3.19Å; M294-T298 PolarHBondContact O-OG1 3.25Å; L295-T298 PolarHBondContact O-N 3.15Å; T298-E300 PolarHBondContact O-N 2.65Å; T298-A301 PolarHBondContact O-N 2.95Å; T298-N302 VanDerWaalsContact O-CB 3.32Å; T298-N302 WeakPolarHBondContact O-CB 3.45Å; T298-N302 PolarHBondContact O-N 3.27Å; T298-N302 PolarHBondContact O-ND2 3.14Å; T298-N302 PolarHBondContact O-OD1 2.85Å; T298-M355 HydrophobicContact CG2-CE 4Å; T298-M355 HydrophobicContact CG2-CG 4.31Å; T298-M355 HydrophobicContact CG2-SD 3.48Å; T298-M355 WeakPolarHBondContact CG2-SD 3.14Å |
| 299 | A | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L295 L296 N303 M355 Y360 | L295-A299 VanDerWaalsContact O-CB 3.23Å; L295-A299 WeakPolarHBondContact O-CB 3.42Å; L295-A299 PolarHBondContact O-N 2.96Å; L296-A299 PolarHBondContact O-N 2.75Å; A299-N303 WeakPolarHBondContact O-CB 2.93Å; A299-N303 PolarHBondContact O-N 3.44Å; A299-N303 PolarHBondContact O-ND2 3.03Å; A299-M355 HydrophobicContact CB-CB 3.9Å; A299-M355 VanDerWaalsContact CB-O 3.25Å; A299-M355 WeakPolarHBondContact CB-O 3.28Å; A299-Y360 HydrophobicContact CB-CD1 4.05Å; A299-Y360 HydrophobicContact CB-CE1 3.83Å |
| 300 | E | 90.7 | Very high | 87.4 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 175.5 | 179.6 | 173.1 | -139.9 | 0 | 0 | 111.8 | K292 L296 T298 N302 N303 L304 F364 | K292-E300 VanDerWaalsContact CD-OE2 3.25Å; K292-E300 WeakPolarHBondContact CD-OE2 3.16Å; K292-E300 WeakPolarHBondContact CE-OE2 3.43Å; K292-E300 IonicContact NZ-OE1 2.74Å; K292-E300 PolarHBondContact NZ-OE1 2.72Å; K292-E300 IonicContact NZ-OE2 3.98Å; K292-E300 PolarHBondContact NZ-OE2 3.17Å; L296-E300 WeakPolarHBondContact O-CB 3.21Å; L296-E300 PolarHBondContact O-N 2.61Å; T298-E300 PolarHBondContact O-N 2.65Å; E300-N302 VanDerWaalsContact C-N 3.33Å; E300-N302 PolarHBondContact O-N 2.86Å; E300-N303 PolarHBondContact O-N 3.05Å; E300-N303 VanDerWaalsContact O-N 3.15Å; E300-L304 HydrophobicContact CG-CD1 3.91Å; E300-L304 HydrophobicContact CG-CG 4.35Å; E300-L304 WeakPolarHBondContact O-CB 3.43Å; E300-L304 WeakPolarHBondContact O-CG 3.36Å; E300-L304 PolarHBondContact O-N 3.23Å; E300-F364 HydrophobicContact CG-CZ 4.09Å |
| 301 | A | 91.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A297 T298 A305 | A297-A301 WeakPolarHBondContact O-CB 3.36Å; A297-A301 PolarHBondContact O-N 3.38Å; T298-A301 PolarHBondContact O-N 2.95Å; A301-A305 VanDerWaalsContact O-CB 3.29Å; A301-A305 WeakPolarHBondContact O-CB 3.41Å; A301-A305 PolarHBondContact O-N 3.29Å |
| 302 | N | 93.1 | Very high | 90.1 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175 | -68.4 | 174.6 | 0 | 0 | 0 | 111.6 | T298 E300 A306 K354 M355 | T298-N302 VanDerWaalsContact O-CB 3.32Å; T298-N302 WeakPolarHBondContact O-CB 3.45Å; T298-N302 PolarHBondContact O-N 3.27Å; T298-N302 PolarHBondContact O-ND2 3.14Å; T298-N302 PolarHBondContact O-OD1 2.85Å; E300-N302 VanDerWaalsContact C-N 3.33Å; E300-N302 PolarHBondContact O-N 2.86Å; N302-A306 WeakPolarHBondContact O-CB 3.19Å; N302-A306 PolarHBondContact O-N 3.45Å; N302-K354 HydrophobicContact CB-CB 4.24Å; N302-K354 HydrophobicContact CB-CG 4.27Å; N302-M355 PolarHBondContact OD1-N 3.38Å |
| 303 | N | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 178.6 | -86.1 | -77.4 | 0 | 0 | 0 | 111.9 | A299 E300 A305 A306 V307 K354 S361 F364 | A299-N303 WeakPolarHBondContact O-CB 2.93Å; A299-N303 PolarHBondContact O-N 3.44Å; A299-N303 PolarHBondContact O-ND2 3.03Å; E300-N303 PolarHBondContact O-N 3.05Å; E300-N303 VanDerWaalsContact O-N 3.15Å; N303-A305 PolarHBondContact O-N 3.37Å; N303-A306 WeakPolarHBondContact O-CB 3.46Å; N303-A306 PolarHBondContact O-N 3.25Å; N303-A306 VanDerWaalsContact O-N 3.13Å; N303-V307 WeakPolarHBondContact O-CG2 3.36Å; N303-V307 PolarHBondContact O-N 2.86Å; N303-K354 WeakPolarHBondContact OD1-CD 3.4Å; N303-K354 WeakPolarHBondContact OD1-CE 3.42Å; N303-S361 WeakPolarHBondContact OD1-CA 3.06Å; N303-S361 WeakPolarHBondContact OD1-CB 3.38Å; N303-S361 PolarHBondContact OD1-OG 3.28Å; N303-F364 HydrophobicContact CB-CB 4.1Å; N303-F364 HydrophobicContact CB-CD1 3.75Å; N303-F364 HydrophobicContact CB-CD2 3.57Å; N303-F364 HydrophobicContact CB-CE1 4Å; N303-F364 HydrophobicContact CB-CE2 3.84Å; N303-F364 HydrophobicContact CB-CG 3.53Å; N303-F364 HydrophobicContact CB-CZ 4.04Å |
| 304 | L | 94.8 | Very high | 92.4 | Very high | 93 Ų | 93 | 49.8 Ų | 49.8 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.3 | -72.1 | 173.4 | 0 | 0 | 0 | 112 | E300 A306 V307 A308 F364 | E300-L304 HydrophobicContact CG-CD1 3.91Å; E300-L304 HydrophobicContact CG-CG 4.35Å; E300-L304 WeakPolarHBondContact O-CB 3.43Å; E300-L304 WeakPolarHBondContact O-CG 3.36Å; E300-L304 PolarHBondContact O-N 3.23Å; L304-A306 VanDerWaalsContact C-N 3.32Å; L304-A306 PolarHBondContact O-N 2.73Å; L304-V307 PolarHBondContact O-N 2.91Å; L304-A308 WeakPolarHBondContact O-CB 3.36Å; L304-A308 PolarHBondContact O-N 2.79Å; L304-F364 HydrophobicContact CD2-CD1 4.17Å; L304-F364 HydrophobicContact CD2-CE1 3.78Å; L304-F364 HydrophobicContact CG-CE1 3.9Å |
| 305 | A | 95.2 | Very high | 93.5 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A301 N303 A308 N309 | A301-A305 VanDerWaalsContact O-CB 3.29Å; A301-A305 WeakPolarHBondContact O-CB 3.41Å; A301-A305 PolarHBondContact O-N 3.29Å; N303-A305 PolarHBondContact O-N 3.37Å; A305-A308 PolarHBondContact O-N 3.16Å; A305-N309 WeakPolarHBondContact O-CB 3.2Å; A305-N309 PolarHBondContact O-N 3.03Å; A305-N309 PolarHBondContact O-ND2 3.49Å; A305-N309 VanDerWaalsContact O-ND2 3.12Å |
| 306 | A | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N302 N303 L304 A310 F349 V352 K354 | N302-A306 WeakPolarHBondContact O-CB 3.19Å; N302-A306 PolarHBondContact O-N 3.45Å; N303-A306 WeakPolarHBondContact O-CB 3.46Å; N303-A306 PolarHBondContact O-N 3.25Å; N303-A306 VanDerWaalsContact O-N 3.13Å; L304-A306 VanDerWaalsContact C-N 3.32Å; L304-A306 PolarHBondContact O-N 2.73Å; A306-A310 VanDerWaalsContact O-CB 3.24Å; A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 2.98Å; A306-F349 HydrophobicContact CB-CD2 3.68Å; A306-F349 HydrophobicContact CB-CE2 3.79Å; A306-V352 HydrophobicContact CB-CB 4.36Å; A306-V352 HydrophobicContact CB-CG1 4.27Å; A306-K354 HydrophobicContact CB-CD 3.87Å |
| 307 | V | 97.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -51.2 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | N303 L304 N309 A310 R311 F349 F364 L368 | N303-V307 WeakPolarHBondContact O-CG2 3.36Å; N303-V307 PolarHBondContact O-N 2.86Å; L304-V307 PolarHBondContact O-N 2.91Å; V307-N309 PolarHBondContact O-N 2.69Å; V307-A310 PolarHBondContact O-N 3.18Å; V307-R311 WeakPolarHBondContact O-CB 3.46Å; V307-R311 PolarHBondContact O-N 3.25Å; V307-F349 HydrophobicContact CG2-CD2 4.16Å; V307-F349 HydrophobicContact CG2-CE2 3.63Å; V307-F364 HydrophobicContact CG2-CB 3.94Å; V307-F364 HydrophobicContact CG2-CD1 4.42Å; V307-L368 HydrophobicContact CG1-CB 4.26Å; V307-L368 HydrophobicContact CG1-CD1 4.22Å; V307-L368 HydrophobicContact CG2-CB 4.33Å |
| 308 | A | 96.9 | Very high | 95.3 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.6 | -46 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L304 A305 A312 | L304-A308 WeakPolarHBondContact O-CB 3.36Å; L304-A308 PolarHBondContact O-N 2.79Å; A305-A308 PolarHBondContact O-N 3.16Å; A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.06Å; A308-A312 PolarHBondContact O-N 3.16Å |
| 309 | N | 97 | Very high | 95.7 | Very high | 92 Ų | 92 | 43.2 Ų | 43.2 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.9 | -43 | 178.3 | -72.1 | -29.1 | 0 | 0 | 0 | 112.6 | A305 V307 A312 L313 M348 | A305-N309 WeakPolarHBondContact O-CB 3.2Å; A305-N309 PolarHBondContact O-N 3.03Å; A305-N309 PolarHBondContact O-ND2 3.49Å; A305-N309 VanDerWaalsContact O-ND2 3.12Å; V307-N309 PolarHBondContact O-N 2.69Å; N309-A312 PolarHBondContact O-N 3.47Å; N309-L313 PolarHBondContact O-N 2.85Å; N309-M348 HydrophobicContact CB-CE 3.81Å |
| 310 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A306 V307 Y314 S345 F349 L368 | A306-A310 VanDerWaalsContact O-CB 3.24Å; A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 2.98Å; V307-A310 PolarHBondContact O-N 3.18Å; A310-Y314 PolarHBondContact O-N 3Å; A310-Y314 VanDerWaalsContact O-N 3.14Å; A310-S345 WeakPolarHBondContact CB-O 3.39Å; A310-S345 VanDerWaalsContact O-CB 3.26Å; A310-S345 WeakPolarHBondContact O-CB 3.02Å; A310-S345 PolarHBondContact O-OG 3.1Å; A310-F349 HydrophobicContact CB-CB 4.02Å; A310-L368 HydrophobicContact CB-CD1 4.03Å; A310-L368 HydrophobicContact CB-CD2 3.7Å |
| 311 | R | 97.7 | Very high | 95.8 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 173 | 174.9 | 172.4 | 162.6 | -165.3 | -4.2 | 111.7 | V307 L313 Y314 C315 L368 E371 L372 | V307-R311 WeakPolarHBondContact O-CB 3.46Å; V307-R311 PolarHBondContact O-N 3.25Å; R311-L313 VanDerWaalsContact C-N 3.29Å; R311-L313 PolarHBondContact O-N 3.44Å; R311-Y314 WeakPolarHBondContact O-CB 3.26Å; R311-Y314 PolarHBondContact O-N 3.48Å; R311-Y314 VanDerWaalsContact O-N 3.13Å; R311-C315 PolarHBondContact O-N 3.39Å; R311-C315 PolarHBondContact O-SG 3.34Å; R311-L368 HydrophobicContact CB-CD1 4.13Å; R311-E371 WeakPolarHBondContact CD-OE2 3.01Å; R311-E371 IonicContact CZ-OE2 2.63Å; R311-E371 IonicContact NE-OE2 3.95Å; R311-E371 IonicContact NH1-OE2 3.71Å; R311-E371 PolarHBondContact NH1-OE2 2.73Å; R311-L372 HydrophobicContact CB-CD2 4.48Å |
| 312 | A | 97.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A308 N309 Y314 C315 N316 | A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.06Å; A308-A312 PolarHBondContact O-N 3.16Å; N309-A312 PolarHBondContact O-N 3.47Å; A312-Y314 PolarHBondContact O-N 2.89Å; A312-C315 PolarHBondContact O-N 3.24Å; A312-N316 WeakPolarHBondContact O-CB 3.12Å; A312-N316 PolarHBondContact O-N 3.26Å; A312-N316 PolarHBondContact O-ND2 2.98Å |
| 313 | L | 97.8 | Very high | 95.3 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.4 | -48.3 | 173.2 | 178.5 | 65.8 | 0 | 0 | 0 | 111.6 | N309 R311 N316 E317 K344 M348 | N309-L313 PolarHBondContact O-N 2.85Å; R311-L313 VanDerWaalsContact C-N 3.29Å; R311-L313 PolarHBondContact O-N 3.44Å; L313-N316 PolarHBondContact O-N 3.29Å; L313-E317 HydrophobicContact CD1-CG 4.27Å; L313-E317 WeakPolarHBondContact CD1-OE1 3.32Å; L313-E317 WeakPolarHBondContact O-CG 3.22Å; L313-E317 PolarHBondContact O-N 2.93Å; L313-E317 VanDerWaalsContact O-N 3.1Å; L313-K344 HydrophobicContact CD2-CG 4.34Å; L313-M348 HydrophobicContact CB-SD 4.02Å; L313-M348 HydrophobicContact CD2-CB 4.21Å; L313-M348 HydrophobicContact CD2-CG 4.48Å; L313-M348 HydrophobicContact CD2-SD 3.55Å; L313-M348 VanDerWaalsContact CD2-SD 3.55Å; L313-M348 HydrophobicContact CG-SD 4.38Å |
| 314 | Y | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 179.2 | 172.9 | -96.8 | 0 | 0 | 0 | 111.7 | A310 R311 A312 N316 E317 M318 H338 K341 R342 S345 L372 C375 F376 Y379 | A310-Y314 PolarHBondContact O-N 3Å; A310-Y314 VanDerWaalsContact O-N 3.14Å; R311-Y314 WeakPolarHBondContact O-CB 3.26Å; R311-Y314 PolarHBondContact O-N 3.48Å; R311-Y314 VanDerWaalsContact O-N 3.13Å; A312-Y314 PolarHBondContact O-N 2.89Å; Y314-N316 PolarHBondContact O-N 2.92Å; Y314-E317 PolarHBondContact O-N 3.22Å; Y314-M318 HydrophobicContact CD1-CG 4.21Å; Y314-M318 HydrophobicContact CD2-CG 4.06Å; Y314-M318 HydrophobicContact CE1-CG 3.79Å; Y314-M318 HydrophobicContact CE2-CG 3.63Å; Y314-M318 HydrophobicContact CE2-SD 4.17Å; Y314-M318 HydrophobicContact CG-CG 4.32Å; Y314-M318 VanDerWaalsContact CZ-CG 3.48Å; Y314-M318 WeakPolarHBondContact O-CB 3.11Å; Y314-M318 WeakPolarHBondContact O-CG 3.41Å; Y314-M318 PolarHBondContact O-N 3.35Å; Y314-H338 AromaticContact CE2-ND1 3.55Å; Y314-H338 AromaticContact CZ-ND1 3.55Å; Y314-H338 PolarHBondContact OH-ND1 2.99Å; Y314-K341 HydrophobicContact CD2-CB 3.94Å; Y314-K341 HydrophobicContact CE2-CB 4.2Å; Y314-R342 HydrophobicContact CE2-CB 4.35Å; Y314-S345 WeakPolarHBondContact CA-OG 3.44Å; Y314-S345 WeakPolarHBondContact CB-OG 3.08Å; Y314-S345 PolarHBondContact N-OG 2.9Å; Y314-L372 HydrophobicContact CD1-CD2 3.66Å; Y314-L372 HydrophobicContact CD2-CD2 4.15Å; Y314-L372 HydrophobicContact CE1-CD2 4.42Å; Y314-L372 HydrophobicContact CG-CD2 3.51Å; Y314-C375 HydrophobicContact CD1-CB 4.16Å; Y314-C375 HydrophobicContact CE1-CB 3.62Å; Y314-F376 WeakPolarHBondContact OH-CB 3.24Å; Y314-Y379 HydrophobicContact CE1-CD2 4.31Å; Y314-Y379 HydrophobicContact CE1-CE2 4.06Å |
| 315 | C | 97.1 | Very high | 94 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | -178.7 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | R311 A312 M318 E319 Y379 | R311-C315 PolarHBondContact O-N 3.39Å; R311-C315 PolarHBondContact O-SG 3.34Å; A312-C315 PolarHBondContact O-N 3.24Å; C315-M318 PolarHBondContact O-N 3.4Å; C315-E319 VanDerWaalsContact O-CB 3.32Å; C315-E319 WeakPolarHBondContact O-CB 3.45Å; C315-E319 PolarHBondContact O-N 2.94Å; C315-Y379 WeakPolarHBondContact CA-OH 3.49Å; C315-Y379 PolarHBondContact O-OH 3.12Å |
| 316 | N | 96.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 50 Ų | 50 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 178.8 | -69.5 | -14.9 | 0 | 0 | 0 | 111.6 | A312 L313 Y314 E319 E320 | A312-N316 WeakPolarHBondContact O-CB 3.12Å; A312-N316 PolarHBondContact O-N 3.26Å; A312-N316 PolarHBondContact O-ND2 2.98Å; L313-N316 PolarHBondContact O-N 3.29Å; Y314-N316 PolarHBondContact O-N 2.92Å; N316-E319 PolarHBondContact O-N 3.05Å; N316-E320 WeakPolarHBondContact O-CG 3.01Å; N316-E320 PolarHBondContact O-N 3.33Å; N316-E320 VanDerWaalsContact O-N 3.1Å |
| 317 | E | 97.2 | Very high | 92.7 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 179.7 | -67.8 | -171.7 | 179.2 | 0 | 0 | 112.5 | L313 Y314 E320 V321 K341 K344 | L313-E317 HydrophobicContact CD1-CG 4.27Å; L313-E317 WeakPolarHBondContact CD1-OE1 3.32Å; L313-E317 WeakPolarHBondContact O-CG 3.22Å; L313-E317 PolarHBondContact O-N 2.93Å; L313-E317 VanDerWaalsContact O-N 3.1Å; Y314-E317 PolarHBondContact O-N 3.22Å; E317-E320 PolarHBondContact O-N 2.92Å; E317-V321 WeakPolarHBondContact O-CG2 3.4Å; E317-V321 PolarHBondContact O-N 2.83Å; E317-K341 HydrophobicContact CB-CD 4.21Å; E317-K341 HydrophobicContact CB-CG 3.92Å; E317-K341 VanDerWaalsContact OE2-CD 3.27Å; E317-K341 WeakPolarHBondContact OE2-CD 3.43Å; E317-K341 IonicContact OE2-NZ 2.78Å; E317-K344 WeakPolarHBondContact OE1-CD 3.49Å; E317-K344 VanDerWaalsContact OE1-CE 3.3Å; E317-K344 WeakPolarHBondContact OE1-CE 3.48Å; E317-K344 IonicContact OE1-NZ 3.09Å; E317-K344 PolarHBondContact OE1-NZ 3.42Å; E317-K344 WeakPolarHBondContact OE2-CD 2.94Å; E317-K344 IonicContact OE2-NZ 3.82Å |
| 318 | M | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.7 | -34.4 | 174.3 | -74.2 | -61.8 | -65.9 | 0 | 0 | 112.1 | Y314 C315 V321 C322 L334 H338 K341 F376 Y379 | Y314-M318 HydrophobicContact CD1-CG 4.21Å; Y314-M318 HydrophobicContact CD2-CG 4.06Å; Y314-M318 HydrophobicContact CE1-CG 3.79Å; Y314-M318 HydrophobicContact CE2-CG 3.63Å; Y314-M318 HydrophobicContact CE2-SD 4.17Å; Y314-M318 HydrophobicContact CG-CG 4.32Å; Y314-M318 VanDerWaalsContact CZ-CG 3.48Å; Y314-M318 WeakPolarHBondContact O-CB 3.11Å; Y314-M318 WeakPolarHBondContact O-CG 3.41Å; Y314-M318 PolarHBondContact O-N 3.35Å; C315-M318 PolarHBondContact O-N 3.4Å; M318-V321 PolarHBondContact O-N 3.38Å; M318-C322 PolarHBondContact O-N 3.29Å; M318-C322 PolarHBondContact O-SG 3.38Å; M318-L334 HydrophobicContact CE-CD1 3.98Å; M318-H338 HydrophobicContact CE-CB 4.37Å; M318-H338 HydrophobicContact SD-CB 4.49Å; M318-K341 HydrophobicContact CG-CB 4.5Å; M318-K341 HydrophobicContact SD-CB 4.31Å; M318-K341 HydrophobicContact SD-CG 4.09Å; M318-F376 HydrophobicContact CE-CD2 4.17Å; M318-F376 HydrophobicContact CE-CE2 4.48Å; M318-Y379 HydrophobicContact CB-CD1 4.33Å; M318-Y379 HydrophobicContact CB-CD2 3.78Å; M318-Y379 HydrophobicContact CB-CE1 3.99Å; M318-Y379 HydrophobicContact CB-CE2 3.4Å; M318-Y379 HydrophobicContact CB-CG 4.24Å; M318-Y379 HydrophobicContact CE-CD2 4.06Å; M318-Y379 HydrophobicContact CE-CG 4.09Å; M318-Y379 HydrophobicContact CG-CD2 4.17Å; M318-Y379 HydrophobicContact CG-CE2 4.05Å |
| 319 | E | 94.2 | Very high | 91.5 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 174.2 | -164 | 64.8 | -150.3 | 0 | 0 | 111.4 | C315 N316 V321 G323 G324 Y379 | C315-E319 VanDerWaalsContact O-CB 3.32Å; C315-E319 WeakPolarHBondContact O-CB 3.45Å; C315-E319 PolarHBondContact O-N 2.94Å; N316-E319 PolarHBondContact O-N 3.05Å; E319-V321 VanDerWaalsContact C-N 3.27Å; E319-V321 PolarHBondContact O-N 3.22Å; E319-G323 VanDerWaalsContact CD-CA 3.46Å; E319-G323 WeakPolarHBondContact O-CA 3.31Å; E319-G323 PolarHBondContact O-N 3.03Å; E319-G323 WeakPolarHBondContact OE1-CA 3.4Å; E319-G324 PolarHBondContact OE1-N 3.3Å; E319-Y379 WeakPolarHBondContact OE2-CE1 3.43Å |
| 320 | E | 93.2 | Very high | 91.1 | Very high | 157 Ų | 157 | 53.2 Ų | 53.2 | 73% | 0.734 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.2 | -31.3 | 174.3 | -72.8 | 178.6 | -178.5 | 0 | 0 | 113 | N316 E317 T326 | N316-E320 WeakPolarHBondContact O-CG 3.01Å; N316-E320 PolarHBondContact O-N 3.33Å; N316-E320 VanDerWaalsContact O-N 3.1Å; E317-E320 PolarHBondContact O-N 2.92Å; E320-T326 WeakPolarHBondContact O-CG2 3.46Å |
| 321 | V | 90.1 | Very high | 90.6 | Very high | 29 Ų | 29 | 57 Ų | 57 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -83.5 | -54.4 | 179.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | E317 M318 E319 T326 L329 Q337 | E317-V321 WeakPolarHBondContact O-CG2 3.4Å; E317-V321 PolarHBondContact O-N 2.83Å; M318-V321 PolarHBondContact O-N 3.38Å; E319-V321 VanDerWaalsContact C-N 3.27Å; E319-V321 PolarHBondContact O-N 3.22Å; V321-T326 VanDerWaalsContact O-CB 3.31Å; V321-T326 WeakPolarHBondContact O-CB 3.2Å; V321-T326 PolarHBondContact O-OG1 2.93Å; V321-L329 HydrophobicContact CG1-CD1 4.04Å; V321-L329 HydrophobicContact CG1-CD2 3.81Å; V321-L329 VanDerWaalsContact O-CD1 3.27Å; V321-L329 WeakPolarHBondContact O-CD1 3.44Å; V321-Q337 HydrophobicContact CG1-CB 3.96Å; V321-Q337 HydrophobicContact CG1-CG 3.73Å |
| 322 | C | 86.5 | Confident | 90.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -127 | 13.9 | -166.9 | 71.2 | 0 | 0 | 0 | 0 | 114.5 | M318 T326 L329 L334 Y379 K386 | M318-C322 PolarHBondContact O-N 3.29Å; M318-C322 PolarHBondContact O-SG 3.38Å; C322-T326 WeakPolarHBondContact CA-OG1 3.49Å; C322-L329 HydrophobicContact CB-CD1 3.86Å; C322-L334 HydrophobicContact CB-CD1 3.73Å; C322-Y379 WeakPolarHBondContact SG-CD1 3.09Å; C322-K386 VanDerWaalsContact C-NZ 3.31Å; C322-K386 PolarHBondContact O-NZ 2.97Å |
| 323 | G | 87.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -64.1 | 176.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E319 D325 T326 K386 | E319-G323 VanDerWaalsContact CD-CA 3.46Å; E319-G323 WeakPolarHBondContact O-CA 3.31Å; E319-G323 PolarHBondContact O-N 3.03Å; E319-G323 WeakPolarHBondContact OE1-CA 3.4Å; G323-D325 VanDerWaalsContact C-N 3.26Å; G323-D325 PolarHBondContact O-N 2.95Å; G323-D325 VanDerWaalsContact O-N 3.09Å; G323-T326 PolarHBondContact N-OG1 3.36Å; G323-T326 PolarHBondContact O-N 3.16Å; G323-T326 VanDerWaalsContact O-N 3.07Å; G323-T326 PolarHBondContact O-OG1 3.34Å; G323-T326 VanDerWaalsContact O-OG1 3.12Å; G323-K386 VanDerWaalsContact O-CE 3.26Å; G323-K386 WeakPolarHBondContact O-CE 3.46Å; G323-K386 PolarHBondContact O-NZ 2.83Å |
| 324 | G | 81.4 | Confident | 89.7 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -37.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E319 | E319-G324 PolarHBondContact OE1-N 3.3Š|
| 325 | D | 81.7 | Confident | 89.5 | Confident | 176 Ų | 176 | 66.5 Ų | 66.5 | 94% | 0.941 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -1.8 | -175.5 | -64 | -37.1 | 0 | 0 | 0 | 114.1 | G323 | G323-D325 VanDerWaalsContact C-N 3.26Å; G323-D325 PolarHBondContact O-N 2.95Å; G323-D325 VanDerWaalsContact O-N 3.09Å |
| 326 | T | 83 | Confident | 89.4 | Confident | 32 Ų | 32 | 67 Ų | 67 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -95.1 | 152.4 | -177.7 | 78.7 | 0 | 0 | 0 | 0 | 111.5 | E320 V321 C322 G323 K386 | E320-T326 WeakPolarHBondContact O-CG2 3.46Å; V321-T326 VanDerWaalsContact O-CB 3.31Å; V321-T326 WeakPolarHBondContact O-CB 3.2Å; V321-T326 PolarHBondContact O-OG1 2.93Å; C322-T326 WeakPolarHBondContact CA-OG1 3.49Å; G323-T326 PolarHBondContact N-OG1 3.36Å; G323-T326 PolarHBondContact O-N 3.16Å; G323-T326 VanDerWaalsContact O-N 3.07Å; G323-T326 PolarHBondContact O-OG1 3.34Å; G323-T326 VanDerWaalsContact O-OG1 3.12Å; T326-K386 WeakPolarHBondContact O-CD 3.3Å; T326-K386 VanDerWaalsContact O-CE 3.29Å; T326-K386 WeakPolarHBondContact O-CE 3.46Å; T326-K386 PolarHBondContact O-NZ 3.39Å; T326-K386 PolarHBondContact OG1-NZ 2.88Å |
| 327 | P | 81 | Confident | 89.4 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 69% | 0.688 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 165.8 | 177.2 | 27.2 | -34.9 | 0 | 0 | 0 | 112.4 | L329 | P327-L329 PolarHBondContact O-N 3.22Š|
| 328 | Y | 85.2 | Confident | 89.4 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 132.4 | 170.4 | 169.4 | -101.5 | 0 | 0 | 0 | 110.9 | P331 N383 N387 | Y328-P331 WeakPolarHBondContact OH-CD 3.4Å; Y328-N383 WeakPolarHBondContact CD2-ND2 3.06Å; Y328-N383 VanDerWaalsContact CD2-O 3.32Å; Y328-N383 WeakPolarHBondContact CD2-O 3.35Å; Y328-N383 WeakPolarHBondContact CE2-ND2 3.42Å; Y328-N387 HydrophobicContact CD2-CB 3.65Å; Y328-N387 HydrophobicContact CE2-CB 3.56Å; Y328-N387 HydrophobicContact CG-CB 4.15Å |
| 329 | L | 84.1 | Confident | 89.4 | Confident | 16 Ų | 16 | 68 Ų | 68 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 145.4 | 168.6 | -70.2 | 101.8 | 0 | 0 | 0 | 111.1 | V321 C322 P327 E333 L334 N383 | V321-L329 HydrophobicContact CG1-CD1 4.04Å; V321-L329 HydrophobicContact CG1-CD2 3.81Å; V321-L329 VanDerWaalsContact O-CD1 3.27Å; V321-L329 WeakPolarHBondContact O-CD1 3.44Å; C322-L329 HydrophobicContact CB-CD1 3.86Å; P327-L329 PolarHBondContact O-N 3.22Å; L329-E333 HydrophobicContact CD2-CG 3.89Å; L329-L334 HydrophobicContact CB-CB 4.31Å; L329-N383 PolarHBondContact N-OD1 3.45Å; L329-N383 PolarHBondContact O-ND2 3.17Å |
| 330 | A | 87.8 | Confident | 89.6 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 149.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E332 E333 L334 | A330-E332 VanDerWaalsContact C-N 3.3Å; A330-E332 PolarHBondContact O-N 3.04Å; A330-E333 HydrophobicContact CB-CB 4.44Å; A330-E333 PolarHBondContact O-N 3.35Å; A330-E333 VanDerWaalsContact O-N 3.08Å; A330-L334 PolarHBondContact O-N 3.06Å |
| 331 | P | 88.6 | Confident | 89.8 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 51% | 0.506 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | -175.8 | -27.1 | 36.8 | 0 | 0 | 0 | 113.7 | Y328 L334 E335 | Y328-P331 WeakPolarHBondContact OH-CD 3.4Å; P331-L334 PolarHBondContact O-N 2.94Å; P331-E335 WeakPolarHBondContact O-CB 3.24Å; P331-E335 PolarHBondContact O-N 2.7Å |
| 332 | E | 90.3 | Very high | 90.1 | Very high | 172 Ų | 172 | 63.4 Ų | 63.4 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 177.6 | -64.7 | 176.2 | -172.7 | 0 | 0 | 112.2 | A330 G336 | A330-E332 VanDerWaalsContact C-N 3.3Å; A330-E332 PolarHBondContact O-N 3.04Å; E332-G336 PolarHBondContact O-N 2.97Å |
| 333 | E | 90.3 | Very high | 90.7 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 177.5 | -169.2 | 179.9 | -176.8 | 0 | 0 | 111 | L329 A330 G336 Q337 | L329-E333 HydrophobicContact CD2-CG 3.89Å; A330-E333 HydrophobicContact CB-CB 4.44Å; A330-E333 PolarHBondContact O-N 3.35Å; A330-E333 VanDerWaalsContact O-N 3.08Å; E333-G336 PolarHBondContact O-N 3.21Å; E333-Q337 VanDerWaalsContact O-CG 3.28Å; E333-Q337 WeakPolarHBondContact O-CG 3.48Å; E333-Q337 PolarHBondContact O-N 3.18Å |
| 334 | L | 91.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 176 | -179.1 | 64.1 | 0 | 0 | 0 | 111.6 | M318 C322 L329 A330 P331 Q337 H338 F376 V380 N383 | M318-L334 HydrophobicContact CE-CD1 3.98Å; C322-L334 HydrophobicContact CB-CD1 3.73Å; L329-L334 HydrophobicContact CB-CB 4.31Å; A330-L334 PolarHBondContact O-N 3.06Å; P331-L334 PolarHBondContact O-N 2.94Å; L334-Q337 PolarHBondContact O-N 2.78Å; L334-H338 WeakPolarHBondContact O-CB 3.28Å; L334-H338 PolarHBondContact O-N 3.15Å; L334-F376 HydrophobicContact CD2-CE2 4.46Å; L334-F376 HydrophobicContact CG-CE2 4.05Å; L334-V380 HydrophobicContact CD2-CG2 4.04Å; L334-N383 HydrophobicContact CD2-CB 3.84Å |
| 335 | E | 95 | Very high | 91.9 | Very high | 108 Ų | 108 | 68.8 Ų | 68.8 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.6 | -172.6 | 169.5 | -162 | 0 | 0 | 111.6 | P331 Q337 H338 M339 F376 | P331-E335 WeakPolarHBondContact O-CB 3.24Å; P331-E335 PolarHBondContact O-N 2.7Å; E335-Q337 PolarHBondContact O-N 3.23Å; E335-H338 WeakPolarHBondContact O-CB 2.94Å; E335-H338 PolarHBondContact O-N 3.29Å; E335-M339 WeakPolarHBondContact O-CG 3.47Å; E335-M339 PolarHBondContact O-N 3.14Å; E335-F376 HydrophobicContact CB-CZ 4.43Å |
| 336 | G | 95.8 | Very high | 92.7 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E332 E333 M339 E340 | E332-G336 PolarHBondContact O-N 2.97Å; E333-G336 PolarHBondContact O-N 3.21Å; G336-M339 PolarHBondContact O-N 3.08Å; G336-E340 PolarHBondContact O-N 3.13Å; G336-E340 VanDerWaalsContact O-N 3.09Å |
| 337 | Q | 95.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.9 | -69.3 | -70 | -19.7 | 0 | 0 | 111.5 | V321 E333 L334 E335 M339 E340 K341 | V321-Q337 HydrophobicContact CG1-CB 3.96Å; V321-Q337 HydrophobicContact CG1-CG 3.73Å; E333-Q337 VanDerWaalsContact O-CG 3.28Å; E333-Q337 WeakPolarHBondContact O-CG 3.48Å; E333-Q337 PolarHBondContact O-N 3.18Å; L334-Q337 PolarHBondContact O-N 2.78Å; E335-Q337 PolarHBondContact O-N 3.23Å; Q337-M339 PolarHBondContact O-N 3.29Å; Q337-E340 PolarHBondContact O-N 3.18Å; Q337-K341 WeakPolarHBondContact O-CB 3.31Å; Q337-K341 VanDerWaalsContact O-CG 3.24Å; Q337-K341 WeakPolarHBondContact O-CG 3.47Å; Q337-K341 PolarHBondContact O-N 3.22Å |
| 338 | H | 97.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 175.1 | 164.6 | 68.1 | 0 | 0 | 0 | 112.1 | Y314 M318 L334 E335 E340 K341 R342 F376 | Y314-H338 AromaticContact CE2-ND1 3.55Å; Y314-H338 AromaticContact CZ-ND1 3.55Å; Y314-H338 PolarHBondContact OH-ND1 2.99Å; M318-H338 HydrophobicContact CE-CB 4.37Å; M318-H338 HydrophobicContact SD-CB 4.49Å; L334-H338 WeakPolarHBondContact O-CB 3.28Å; L334-H338 PolarHBondContact O-N 3.15Å; E335-H338 WeakPolarHBondContact O-CB 2.94Å; E335-H338 PolarHBondContact O-N 3.29Å; H338-E340 VanDerWaalsContact C-N 3.33Å; H338-E340 PolarHBondContact O-N 2.88Å; H338-K341 PolarHBondContact O-N 3.35Å; H338-R342 WeakPolarHBondContact O-CB 3.5Å; H338-R342 PolarHBondContact O-N 3.42Å; H338-F376 HydrophobicContact CB-CD2 3.46Å; H338-F376 VanDerWaalsContact CB-CD2 3.46Å; H338-F376 HydrophobicContact CB-CE2 3.3Å; H338-F376 HydrophobicContact CB-CG 4.22Å; H338-F376 HydrophobicContact CB-CZ 3.95Å; H338-F376 AromaticContact CE1-CG 3.77Å; H338-F376 AromaticContact CG-CD2 3.39Å; H338-F376 AromaticContact CG-CE2 3.63Å; H338-F376 AromaticContact CG-CG 3.64Å; H338-F376 AromaticContact ND1-CD2 3.47Å; H338-F376 WeakPolarHBondContact ND1-CD2 3.45Å; H338-F376 AromaticContact ND1-CG 3.48Å; H338-F376 WeakPolarHBondContact ND1-CG 3.33Å |
| 339 | M | 97.6 | Very high | 94.7 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -178.4 | -72.6 | -63.6 | -127.5 | 0 | 0 | 112.2 | E335 G336 Q337 S343 | E335-M339 WeakPolarHBondContact O-CG 3.47Å; E335-M339 PolarHBondContact O-N 3.14Å; G336-M339 PolarHBondContact O-N 3.08Å; Q337-M339 PolarHBondContact O-N 3.29Å; M339-S343 VanDerWaalsContact O-CB 3.28Å; M339-S343 WeakPolarHBondContact O-CB 3.49Å; M339-S343 PolarHBondContact O-N 2.99Å; M339-S343 PolarHBondContact O-OG 3.35Å |
| 340 | E | 97.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -52.2 | 174.7 | -171 | -162.7 | 129.7 | 0 | 0 | 111.1 | G336 Q337 H338 S343 K344 | G336-E340 PolarHBondContact O-N 3.13Å; G336-E340 VanDerWaalsContact O-N 3.09Å; Q337-E340 PolarHBondContact O-N 3.18Å; H338-E340 VanDerWaalsContact C-N 3.33Å; H338-E340 PolarHBondContact O-N 2.88Å; E340-S343 PolarHBondContact O-N 3.25Å; E340-K344 PolarHBondContact O-N 3.28Å |
| 341 | K | 97.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 72.2 Ų | 72.2 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | -176.1 | -60.7 | -16.5 | -172.5 | 174.5 | 0 | 111.1 | Y314 E317 M318 Q337 H338 S343 K344 S345 | Y314-K341 HydrophobicContact CD2-CB 3.94Å; Y314-K341 HydrophobicContact CE2-CB 4.2Å; E317-K341 HydrophobicContact CB-CD 4.21Å; E317-K341 HydrophobicContact CB-CG 3.92Å; E317-K341 VanDerWaalsContact OE2-CD 3.27Å; E317-K341 WeakPolarHBondContact OE2-CD 3.43Å; E317-K341 IonicContact OE2-NZ 2.78Å; M318-K341 HydrophobicContact CG-CB 4.5Å; M318-K341 HydrophobicContact SD-CB 4.31Å; M318-K341 HydrophobicContact SD-CG 4.09Å; Q337-K341 WeakPolarHBondContact O-CB 3.31Å; Q337-K341 VanDerWaalsContact O-CG 3.24Å; Q337-K341 WeakPolarHBondContact O-CG 3.47Å; Q337-K341 PolarHBondContact O-N 3.22Å; H338-K341 PolarHBondContact O-N 3.35Å; K341-S343 PolarHBondContact O-N 3.23Å; K341-K344 WeakPolarHBondContact O-CB 3.25Å; K341-K344 PolarHBondContact O-N 2.87Å; K341-S345 PolarHBondContact O-N 2.94Å; K341-S345 PolarHBondContact O-OG 3.24Å |
| 342 | R | 97.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 19% | 0.185 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 173.2 | 178.5 | 177.2 | 174 | -138.4 | -2.5 | 111 | Y314 H338 K344 S345 I346 E369 L372 | Y314-R342 HydrophobicContact CE2-CB 4.35Å; H338-R342 WeakPolarHBondContact O-CB 3.5Å; H338-R342 PolarHBondContact O-N 3.42Å; R342-K344 VanDerWaalsContact C-N 3.29Å; R342-K344 PolarHBondContact O-N 2.69Å; R342-S345 PolarHBondContact O-N 2.78Å; R342-I346 HydrophobicContact CG-CD1 3.8Å; R342-I346 HydrophobicContact CG-CG1 4.5Å; R342-I346 WeakPolarHBondContact O-CG1 3.22Å; R342-I346 PolarHBondContact O-N 3.06Å; R342-E369 IonicContact NH2-OE2 3.61Å; R342-E369 PolarHBondContact NH2-OE2 3.17Å; R342-L372 HydrophobicContact CB-CD1 4.49Å; R342-L372 HydrophobicContact CG-CD1 3.93Å |
| 343 | S | 97.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 74.5 Ų | 74.5 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 178.7 | -63.7 | 0 | 0 | 0 | 0 | 112 | M339 E340 K341 R347 | M339-S343 VanDerWaalsContact O-CB 3.28Å; M339-S343 WeakPolarHBondContact O-CB 3.49Å; M339-S343 PolarHBondContact O-N 2.99Å; M339-S343 PolarHBondContact O-OG 3.35Å; E340-S343 PolarHBondContact O-N 3.25Å; K341-S343 PolarHBondContact O-N 3.23Å; S343-R347 WeakPolarHBondContact O-CB 3.16Å; S343-R347 PolarHBondContact O-N 3.28Å |
| 344 | K | 97.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.8 | -168.1 | -178.3 | -178.6 | 179.9 | 0 | 111.9 | L313 E317 E340 K341 R342 R347 M348 | L313-K344 HydrophobicContact CD2-CG 4.34Å; E317-K344 WeakPolarHBondContact OE1-CD 3.49Å; E317-K344 VanDerWaalsContact OE1-CE 3.3Å; E317-K344 WeakPolarHBondContact OE1-CE 3.48Å; E317-K344 IonicContact OE1-NZ 3.09Å; E317-K344 PolarHBondContact OE1-NZ 3.42Å; E317-K344 WeakPolarHBondContact OE2-CD 2.94Å; E317-K344 IonicContact OE2-NZ 3.82Å; E340-K344 PolarHBondContact O-N 3.28Å; K341-K344 WeakPolarHBondContact O-CB 3.25Å; K341-K344 PolarHBondContact O-N 2.87Å; R342-K344 VanDerWaalsContact C-N 3.29Å; R342-K344 PolarHBondContact O-N 2.69Å; K344-R347 WeakPolarHBondContact O-CB 3.49Å; K344-R347 PolarHBondContact O-N 3.03Å; K344-M348 PolarHBondContact O-N 3.49Å |
| 345 | S | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.4 | -73.7 | 0 | 0 | 0 | 0 | 113.2 | A310 Y314 K341 R342 R347 M348 F349 | A310-S345 WeakPolarHBondContact CB-O 3.39Å; A310-S345 VanDerWaalsContact O-CB 3.26Å; A310-S345 WeakPolarHBondContact O-CB 3.02Å; A310-S345 PolarHBondContact O-OG 3.1Å; Y314-S345 WeakPolarHBondContact CA-OG 3.44Å; Y314-S345 WeakPolarHBondContact CB-OG 3.08Å; Y314-S345 PolarHBondContact N-OG 2.9Å; K341-S345 PolarHBondContact O-N 2.94Å; K341-S345 PolarHBondContact O-OG 3.24Å; R342-S345 PolarHBondContact O-N 2.78Å; S345-R347 VanDerWaalsContact C-N 3.31Å; S345-R347 PolarHBondContact O-N 3.36Å; S345-M348 WeakPolarHBondContact O-CB 3.23Å; S345-M348 PolarHBondContact O-N 3.21Å; S345-F349 PolarHBondContact O-N 3.15Å |
| 346 | I | 97.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 72.3 Ų | 72.3 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.4 | -69.5 | 168.4 | 0 | 0 | 0 | 110.6 | R342 M348 F349 K350 L365 E369 L372 | R342-I346 HydrophobicContact CG-CD1 3.8Å; R342-I346 HydrophobicContact CG-CG1 4.5Å; R342-I346 WeakPolarHBondContact O-CG1 3.22Å; R342-I346 PolarHBondContact O-N 3.06Å; I346-M348 VanDerWaalsContact C-N 3.35Å; I346-M348 PolarHBondContact O-N 2.79Å; I346-F349 PolarHBondContact O-N 3.22Å; I346-K350 HydrophobicContact CG2-CD 4.13Å; I346-K350 HydrophobicContact CG2-CG 4.49Å; I346-K350 WeakPolarHBondContact O-CG 3.35Å; I346-K350 PolarHBondContact O-N 2.84Å; I346-L365 HydrophobicContact CG2-CD1 4.03Å; I346-E369 HydrophobicContact CD1-CG 3.89Å; I346-E369 HydrophobicContact CG1-CG 4.29Å; I346-L372 HydrophobicContact CG1-CD1 4.41Å |
| 347 | R | 97 | Very high | 94.8 | Very high | 167 Ų | 167 | 72.4 Ų | 72.4 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 176 | -170.3 | -175.5 | -59.2 | -177.4 | 2 | 111.6 | S343 K344 S345 K350 N351 | S343-R347 WeakPolarHBondContact O-CB 3.16Å; S343-R347 PolarHBondContact O-N 3.28Å; K344-R347 WeakPolarHBondContact O-CB 3.49Å; K344-R347 PolarHBondContact O-N 3.03Å; S345-R347 VanDerWaalsContact C-N 3.31Å; S345-R347 PolarHBondContact O-N 3.36Å; R347-K350 PolarHBondContact O-N 3.2Å; R347-N351 WeakPolarHBondContact O-CB 3.49Å; R347-N351 PolarHBondContact O-N 3.45Å; R347-N351 PolarHBondContact O-ND2 2.78Å |
| 348 | M | 96.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 78.7 Ų | 78.7 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 173.9 | -177.1 | -174.6 | -179.5 | 0 | 0 | 110.7 | N309 L313 K344 S345 I346 K350 N351 V352 | N309-M348 HydrophobicContact CB-CE 3.81Å; L313-M348 HydrophobicContact CB-SD 4.02Å; L313-M348 HydrophobicContact CD2-CB 4.21Å; L313-M348 HydrophobicContact CD2-CG 4.48Å; L313-M348 HydrophobicContact CD2-SD 3.55Å; L313-M348 VanDerWaalsContact CD2-SD 3.55Å; L313-M348 HydrophobicContact CG-SD 4.38Å; K344-M348 PolarHBondContact O-N 3.49Å; S345-M348 WeakPolarHBondContact O-CB 3.23Å; S345-M348 PolarHBondContact O-N 3.21Å; I346-M348 VanDerWaalsContact C-N 3.35Å; I346-M348 PolarHBondContact O-N 2.79Å; M348-K350 PolarHBondContact O-N 3.46Å; M348-N351 PolarHBondContact O-N 2.91Å; M348-V352 WeakPolarHBondContact O-CG2 3.26Å; M348-V352 PolarHBondContact O-N 3.09Å |
| 349 | F | 97.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 87 Ų | 87 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.8 | -46.9 | 178 | 177.4 | -90.5 | 0 | 0 | 0 | 112.4 | A306 V307 A310 S345 I346 N351 K354 F364 L365 L368 | A306-F349 HydrophobicContact CB-CD2 3.68Å; A306-F349 HydrophobicContact CB-CE2 3.79Å; V307-F349 HydrophobicContact CG2-CD2 4.16Å; V307-F349 HydrophobicContact CG2-CE2 3.63Å; A310-F349 HydrophobicContact CB-CB 4.02Å; S345-F349 PolarHBondContact O-N 3.15Å; I346-F349 PolarHBondContact O-N 3.22Å; F349-N351 PolarHBondContact O-N 3.46Å; F349-K354 HydrophobicContact CE2-CD 4.5Å; F349-K354 HydrophobicContact CZ-CD 4.41Å; F349-K354 PolarHBondContact O-NZ 3.06Å; F349-F364 HydrophobicContact CE2-CB 4.29Å; F349-F364 HydrophobicContact CZ-CB 3.91Å; F349-L365 HydrophobicContact CD1-CB 4.25Å; F349-L365 HydrophobicContact CD1-CD1 3.8Å; F349-L365 HydrophobicContact CE1-CB 3.75Å; F349-L365 HydrophobicContact CE1-CD1 4.21Å; F349-L365 HydrophobicContact CE1-CG 4.49Å; F349-L365 HydrophobicContact CZ-CB 4.42Å; F349-L368 HydrophobicContact CB-CD2 3.6Å; F349-L368 HydrophobicContact CD2-CD2 3.95Å; F349-L368 HydrophobicContact CG-CD2 3.78Å |
| 350 | K | 95.3 | Very high | 93.8 | Very high | 128 Ų | 128 | 85.7 Ų | 85.7 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | -179.6 | -72.4 | -178.7 | 178.6 | -176.7 | 0 | 112.5 | I346 R347 M348 V352 | I346-K350 HydrophobicContact CG2-CD 4.13Å; I346-K350 HydrophobicContact CG2-CG 4.49Å; I346-K350 WeakPolarHBondContact O-CG 3.35Å; I346-K350 PolarHBondContact O-N 2.84Å; R347-K350 PolarHBondContact O-N 3.2Å; M348-K350 PolarHBondContact O-N 3.46Å; K350-V352 PolarHBondContact O-N 2.68Å |
| 351 | N | 94.4 | Very high | 93.7 | Very high | 123 Ų | 123 | 81.2 Ų | 81.2 | 66% | 0.658 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -75.8 | -19.2 | -176.5 | -71.8 | -7.8 | 0 | 0 | 0 | 114.3 | R347 M348 F349 R353 | R347-N351 WeakPolarHBondContact O-CB 3.49Å; R347-N351 PolarHBondContact O-N 3.45Å; R347-N351 PolarHBondContact O-ND2 2.78Å; M348-N351 PolarHBondContact O-N 2.91Å; F349-N351 PolarHBondContact O-N 3.46Å; N351-R353 PolarHBondContact O-N 3.48Å |
| 352 | V | 93.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 84.5 Ų | 84.5 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -67.3 | 128.4 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | A306 M348 K350 K354 | A306-V352 HydrophobicContact CB-CB 4.36Å; A306-V352 HydrophobicContact CB-CG1 4.27Å; M348-V352 WeakPolarHBondContact O-CG2 3.26Å; M348-V352 PolarHBondContact O-N 3.09Å; K350-V352 PolarHBondContact O-N 2.68Å; V352-K354 HydrophobicContact CB-CG 4.47Å; V352-K354 HydrophobicContact CG1-CG 3.98Å; V352-K354 WeakPolarHBondContact O-CG 3.43Å; V352-K354 PolarHBondContact O-N 3.25Å; V352-K354 PolarHBondContact O-NZ 2.79Å |
| 353 | R | 92.9 | Very high | 93.4 | Very high | 243 Ų | 243 | 85.1 Ų | 85.1 | 92% | 0.917 | 42% | 0.424 | S | S | * | . | trans | -69.1 | 122.2 | 171.9 | -66 | -175.8 | -179.8 | -175.5 | -0 | 109.3 | N351 | N351-R353 PolarHBondContact O-N 3.48Š| ||
| 354 | K | 90.5 | Very high | 93.3 | Very high | 41 Ų | 41 | 83.2 Ų | 83.2 | 18% | 0.178 | 41% | 0.407 | C | S | . | . | trans | -131.6 | 146.7 | -176 | -61.6 | 175.2 | -62.3 | -69 | 0 | 109.6 | N302 N303 A306 F349 V352 S361 | N302-K354 HydrophobicContact CB-CB 4.24Å; N302-K354 HydrophobicContact CB-CG 4.27Å; N303-K354 WeakPolarHBondContact OD1-CD 3.4Å; N303-K354 WeakPolarHBondContact OD1-CE 3.42Å; A306-K354 HydrophobicContact CB-CD 3.87Å; F349-K354 HydrophobicContact CE2-CD 4.5Å; F349-K354 HydrophobicContact CZ-CD 4.41Å; F349-K354 PolarHBondContact O-NZ 3.06Å; V352-K354 HydrophobicContact CB-CG 4.47Å; V352-K354 HydrophobicContact CG1-CG 3.98Å; V352-K354 WeakPolarHBondContact O-CG 3.43Å; V352-K354 PolarHBondContact O-N 3.25Å; V352-K354 PolarHBondContact O-NZ 2.79Å; K354-S361 WeakPolarHBondContact CE-OG 3.32Å | ||
| 355 | M | 86.3 | Confident | 93.3 | Very high | 94 Ų | 94 | 79.2 Ų | 79.2 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 160.4 | 169.5 | -64.9 | -167.9 | -179.2 | 0 | 0 | 111.4 | T298 A299 N302 | T298-M355 HydrophobicContact CG2-CE 4Å; T298-M355 HydrophobicContact CG2-CG 4.31Å; T298-M355 HydrophobicContact CG2-SD 3.48Å; T298-M355 WeakPolarHBondContact CG2-SD 3.14Å; A299-M355 HydrophobicContact CB-CB 3.9Å; A299-M355 VanDerWaalsContact CB-O 3.25Å; A299-M355 WeakPolarHBondContact CB-O 3.28Å; N302-M355 PolarHBondContact OD1-N 3.38Å |
| 356 | G | 83.5 | Confident | 93.3 | Very high | 40 Ų | 40 | 83.7 Ų | 83.7 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -11.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y360 | G356-Y360 WeakPolarHBondContact O-CB 3.35Š|
| 357 | G | 89.3 | Confident | 93.2 | Very high | 43 Ų | 43 | 86 Ų | 86 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | 84 | 174 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S361 | G357-S361 PolarHBondContact O-N 3.4Å; G357-S361 PolarHBondContact O-OG 3.27Å |
| 358 | E | 89.6 | Confident | 93.2 | Very high | 180 Ų | 180 | 78 Ų | 78 | 84% | 0.841 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | -175.1 | -65.4 | -170.7 | 168.2 | 0 | 0 | 112.5 | Y360 S361 L362 | E358-Y360 VanDerWaalsContact C-N 3.33Å; E358-Y360 PolarHBondContact O-N 3.44Å; E358-S361 CarbonylContact O-C 3.36Å; E358-S361 WeakPolarHBondContact O-CB 3.43Å; E358-S361 PolarHBondContact O-N 3.25Å; E358-L362 PolarHBondContact O-N 3.3Å |
| 359 | E | 90.9 | Very high | 93.3 | Very high | 182 Ų | 182 | 77.2 Ų | 77.2 | 85% | 0.85 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.5 | -44.7 | 177.6 | -64.9 | 179.8 | 179.4 | 0 | 0 | 111.7 | S361 L362 | E359-S361 VanDerWaalsContact C-N 3.3Å; E359-S361 PolarHBondContact O-N 2.9Å; E359-L362 WeakPolarHBondContact O-CB 3.31Å; E359-L362 PolarHBondContact O-N 3.37Å |
| 360 | Y | 90.6 | Very high | 93.3 | Very high | 64 Ų | 64 | 79.9 Ų | 79.9 | 25% | 0.251 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 175.9 | -172.6 | -102.8 | 0 | 0 | 0 | 112.1 | L296 A299 G356 E358 L362 S363 F364 | L296-Y360 HydrophobicContact CD1-CD2 4.33Å; L296-Y360 HydrophobicContact CD1-CE1 4.46Å; L296-Y360 HydrophobicContact CD1-CE2 3.53Å; A299-Y360 HydrophobicContact CB-CD1 4.05Å; A299-Y360 HydrophobicContact CB-CE1 3.83Å; G356-Y360 WeakPolarHBondContact O-CB 3.35Å; E358-Y360 VanDerWaalsContact C-N 3.33Å; E358-Y360 PolarHBondContact O-N 3.44Å; Y360-L362 VanDerWaalsContact C-N 3.25Å; Y360-L362 PolarHBondContact O-N 3.46Å; Y360-S363 PolarHBondContact O-OG 3.37Å; Y360-F364 HydrophobicContact CD1-CE2 4.2Å; Y360-F364 AromaticContact CE1-CE2 3.63Å; Y360-F364 HydrophobicContact CE1-CE2 3.63Å; Y360-F364 HydrophobicContact CE1-CZ 4.32Å; Y360-F364 AromaticContact CZ-CE2 3.93Å |
| 361 | S | 93.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.8 | -15.5 | 180 | -54.7 | 0 | 0 | 0 | 0 | 113.2 | N303 K354 G357 E358 E359 S363 F364 L365 | N303-S361 WeakPolarHBondContact OD1-CA 3.06Å; N303-S361 WeakPolarHBondContact OD1-CB 3.38Å; N303-S361 PolarHBondContact OD1-OG 3.28Å; K354-S361 WeakPolarHBondContact CE-OG 3.32Å; G357-S361 PolarHBondContact O-N 3.4Å; G357-S361 PolarHBondContact O-OG 3.27Å; E358-S361 CarbonylContact O-C 3.36Å; E358-S361 WeakPolarHBondContact O-CB 3.43Å; E358-S361 PolarHBondContact O-N 3.25Å; E359-S361 VanDerWaalsContact C-N 3.3Å; E359-S361 PolarHBondContact O-N 2.9Å; S361-S363 PolarHBondContact O-N 2.93Å; S361-F364 PolarHBondContact O-N 3.22Å; S361-L365 PolarHBondContact O-N 3.49Å |
| 362 | L | 95 | Very high | 93.6 | Very high | 95 Ų | 95 | 70.6 Ų | 70.6 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | -175.7 | -174 | 63.9 | 0 | 0 | 0 | 112.6 | E358 E359 Y360 L365 N366 | E358-L362 PolarHBondContact O-N 3.3Å; E359-L362 WeakPolarHBondContact O-CB 3.31Å; E359-L362 PolarHBondContact O-N 3.37Å; Y360-L362 VanDerWaalsContact C-N 3.25Å; Y360-L362 PolarHBondContact O-N 3.46Å; L362-L365 HydrophobicContact CD1-CD2 4.46Å; L362-L365 PolarHBondContact O-N 3.48Å; L362-N366 VanDerWaalsContact O-CG 3.3Å; L362-N366 PolarHBondContact O-N 3.05Å; L362-N366 PolarHBondContact O-ND2 3.06Å |
| 363 | S | 94.1 | Very high | 93.7 | Very high | 63 Ų | 63 | 71.1 Ų | 71.1 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 177 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | Y360 S361 L365 N366 T367 | Y360-S363 PolarHBondContact O-OG 3.37Å; S361-S363 PolarHBondContact O-N 2.93Å; S363-L365 VanDerWaalsContact C-N 3.35Å; S363-N366 PolarHBondContact O-N 3.11Å; S363-T367 PolarHBondContact O-N 2.96Å; S363-T367 PolarHBondContact O-OG1 3.44Å |
| 364 | F | 96.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 176.4 | -65.5 | -87.8 | 0 | 0 | 0 | 112.6 | E300 N303 L304 V307 F349 Y360 S361 T367 L368 | E300-F364 HydrophobicContact CG-CZ 4.09Å; N303-F364 HydrophobicContact CB-CB 4.1Å; N303-F364 HydrophobicContact CB-CD1 3.75Å; N303-F364 HydrophobicContact CB-CD2 3.57Å; N303-F364 HydrophobicContact CB-CE1 4Å; N303-F364 HydrophobicContact CB-CE2 3.84Å; N303-F364 HydrophobicContact CB-CG 3.53Å; N303-F364 HydrophobicContact CB-CZ 4.04Å; L304-F364 HydrophobicContact CD2-CD1 4.17Å; L304-F364 HydrophobicContact CD2-CE1 3.78Å; L304-F364 HydrophobicContact CG-CE1 3.9Å; V307-F364 HydrophobicContact CG2-CB 3.94Å; V307-F364 HydrophobicContact CG2-CD1 4.42Å; F349-F364 HydrophobicContact CE2-CB 4.29Å; F349-F364 HydrophobicContact CZ-CB 3.91Å; Y360-F364 HydrophobicContact CD1-CE2 4.2Å; Y360-F364 AromaticContact CE1-CE2 3.63Å; Y360-F364 HydrophobicContact CE1-CE2 3.63Å; Y360-F364 HydrophobicContact CE1-CZ 4.32Å; Y360-F364 AromaticContact CZ-CE2 3.93Å; S361-F364 PolarHBondContact O-N 3.22Å; F364-T367 PolarHBondContact O-N 2.94Å; F364-L368 WeakPolarHBondContact O-CB 3.42Å; F364-L368 PolarHBondContact O-N 3.29Å |
| 365 | L | 96.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 172.6 | 178.3 | 59.7 | 0 | 0 | 0 | 111.1 | I346 F349 S361 L362 S363 T367 L368 E369 | I346-L365 HydrophobicContact CG2-CD1 4.03Å; F349-L365 HydrophobicContact CD1-CB 4.25Å; F349-L365 HydrophobicContact CD1-CD1 3.8Å; F349-L365 HydrophobicContact CE1-CB 3.75Å; F349-L365 HydrophobicContact CE1-CD1 4.21Å; F349-L365 HydrophobicContact CE1-CG 4.49Å; F349-L365 HydrophobicContact CZ-CB 4.42Å; S361-L365 PolarHBondContact O-N 3.49Å; L362-L365 HydrophobicContact CD1-CD2 4.46Å; L362-L365 PolarHBondContact O-N 3.48Å; S363-L365 VanDerWaalsContact C-N 3.35Å; L365-T367 VanDerWaalsContact C-N 3.32Å; L365-T367 PolarHBondContact O-N 3.32Å; L365-L368 WeakPolarHBondContact O-CB 3.29Å; L365-L368 PolarHBondContact O-N 2.91Å; L365-E369 HydrophobicContact CD1-CG 4.44Å; L365-E369 WeakPolarHBondContact O-CG 3.28Å; L365-E369 PolarHBondContact O-N 3.39Å |
| 366 | N | 96.8 | Very high | 94.7 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.7 | -67.2 | -23.4 | 0 | 0 | 0 | 111.6 | L362 S363 E369 A370 | L362-N366 VanDerWaalsContact O-CG 3.3Å; L362-N366 PolarHBondContact O-N 3.05Å; L362-N366 PolarHBondContact O-ND2 3.06Å; S363-N366 PolarHBondContact O-N 3.11Å; N366-E369 PolarHBondContact O-N 2.69Å; N366-A370 PolarHBondContact O-N 2.74Å |
| 367 | T | 96 | Very high | 95.3 | Very high | 70 Ų | 70 | 61.5 Ų | 61.5 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | S363 F364 L365 E369 A370 E371 | S363-T367 PolarHBondContact O-N 2.96Å; S363-T367 PolarHBondContact O-OG1 3.44Å; F364-T367 PolarHBondContact O-N 2.94Å; L365-T367 VanDerWaalsContact C-N 3.32Å; L365-T367 PolarHBondContact O-N 3.32Å; T367-E369 PolarHBondContact O-N 3.48Å; T367-A370 PolarHBondContact O-N 3.19Å; T367-E371 WeakPolarHBondContact O-CG 3.29Å; T367-E371 PolarHBondContact O-N 2.99Å |
| 368 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 175.9 | 173.5 | 63.7 | 0 | 0 | 0 | 110.7 | V307 A310 R311 F349 F364 L365 A370 E371 L372 | V307-L368 HydrophobicContact CG1-CB 4.26Å; V307-L368 HydrophobicContact CG1-CD1 4.22Å; V307-L368 HydrophobicContact CG2-CB 4.33Å; A310-L368 HydrophobicContact CB-CD1 4.03Å; A310-L368 HydrophobicContact CB-CD2 3.7Å; R311-L368 HydrophobicContact CB-CD1 4.13Å; F349-L368 HydrophobicContact CB-CD2 3.6Å; F349-L368 HydrophobicContact CD2-CD2 3.95Å; F349-L368 HydrophobicContact CG-CD2 3.78Å; F364-L368 WeakPolarHBondContact O-CB 3.42Å; F364-L368 PolarHBondContact O-N 3.29Å; L365-L368 WeakPolarHBondContact O-CB 3.29Å; L365-L368 PolarHBondContact O-N 2.91Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 2.9Å; L368-E371 PolarHBondContact O-N 3.17Å; L368-E371 VanDerWaalsContact O-N 3.14Å; L368-L372 HydrophobicContact CD1-CD1 4.27Å; L368-L372 HydrophobicContact CD1-CD2 4.05Å; L368-L372 HydrophobicContact CD1-CG 3.99Å; L368-L372 HydrophobicContact CG-CD1 4.24Å; L368-L372 HydrophobicContact CG-CG 4.29Å; L368-L372 VanDerWaalsContact O-CG 3.28Å; L368-L372 WeakPolarHBondContact O-CG 3.31Å; L368-L372 PolarHBondContact O-N 3.48Å |
| 369 | E | 97.7 | Very high | 95.8 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 179.8 | -71.3 | -168 | -164.7 | 0 | 0 | 112.8 | R342 I346 L365 N366 T367 L372 N373 | R342-E369 IonicContact NH2-OE2 3.61Å; R342-E369 PolarHBondContact NH2-OE2 3.17Å; I346-E369 HydrophobicContact CD1-CG 3.89Å; I346-E369 HydrophobicContact CG1-CG 4.29Å; L365-E369 HydrophobicContact CD1-CG 4.44Å; L365-E369 WeakPolarHBondContact O-CG 3.28Å; L365-E369 PolarHBondContact O-N 3.39Å; N366-E369 PolarHBondContact O-N 2.69Å; T367-E369 PolarHBondContact O-N 3.48Å; E369-L372 PolarHBondContact O-N 2.79Å; E369-N373 VanDerWaalsContact O-CG 3.26Å; E369-N373 PolarHBondContact O-N 2.77Å; E369-N373 VanDerWaalsContact O-N 3.09Å; E369-N373 PolarHBondContact O-ND2 2.76Å |
| 370 | A | 97.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N366 T367 L368 N373 A374 | N366-A370 PolarHBondContact O-N 2.74Å; T367-A370 PolarHBondContact O-N 3.19Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 2.9Å; A370-N373 PolarHBondContact O-N 3.35Å; A370-A374 PolarHBondContact O-N 2.88Å |
| 371 | E | 97.2 | Very high | 95.9 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.2 | -72.9 | -173.9 | -162 | 0 | 0 | 112.5 | R311 T367 L368 A374 C375 | R311-E371 WeakPolarHBondContact CD-OE2 3.01Å; R311-E371 IonicContact CZ-OE2 2.63Å; R311-E371 IonicContact NE-OE2 3.95Å; R311-E371 IonicContact NH1-OE2 3.71Å; R311-E371 PolarHBondContact NH1-OE2 2.73Å; T367-E371 WeakPolarHBondContact O-CG 3.29Å; T367-E371 PolarHBondContact O-N 2.99Å; L368-E371 PolarHBondContact O-N 3.17Å; L368-E371 VanDerWaalsContact O-N 3.14Å; E371-A374 PolarHBondContact O-N 3.25Å; E371-C375 PolarHBondContact O-N 2.92Å; E371-C375 PolarHBondContact O-SG 2.99Å |
| 372 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.7 | -64.9 | -172 | 0 | 0 | 0 | 111.6 | R311 Y314 R342 I346 L368 E369 C375 F376 | R311-L372 HydrophobicContact CB-CD2 4.48Å; Y314-L372 HydrophobicContact CD1-CD2 3.66Å; Y314-L372 HydrophobicContact CD2-CD2 4.15Å; Y314-L372 HydrophobicContact CE1-CD2 4.42Å; Y314-L372 HydrophobicContact CG-CD2 3.51Å; R342-L372 HydrophobicContact CB-CD1 4.49Å; R342-L372 HydrophobicContact CG-CD1 3.93Å; I346-L372 HydrophobicContact CG1-CD1 4.41Å; L368-L372 HydrophobicContact CD1-CD1 4.27Å; L368-L372 HydrophobicContact CD1-CD2 4.05Å; L368-L372 HydrophobicContact CD1-CG 3.99Å; L368-L372 HydrophobicContact CG-CD1 4.24Å; L368-L372 HydrophobicContact CG-CG 4.29Å; L368-L372 VanDerWaalsContact O-CG 3.28Å; L368-L372 WeakPolarHBondContact O-CG 3.31Å; L368-L372 PolarHBondContact O-N 3.48Å; E369-L372 PolarHBondContact O-N 2.79Å; L372-C375 PolarHBondContact O-N 2.82Å; L372-F376 PolarHBondContact O-N 2.04Å |
| 373 | N | 97 | Very high | 95.4 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 175.3 | -67.7 | -17.2 | 0 | 0 | 0 | 111.4 | E369 A370 C375 F376 E377 | E369-N373 VanDerWaalsContact O-CG 3.26Å; E369-N373 PolarHBondContact O-N 2.77Å; E369-N373 VanDerWaalsContact O-N 3.09Å; E369-N373 PolarHBondContact O-ND2 2.76Å; A370-N373 PolarHBondContact O-N 3.35Å; N373-C375 VanDerWaalsContact C-N 3.32Å; N373-C375 PolarHBondContact O-N 2.93Å; N373-F376 WeakPolarHBondContact O-CB 3.39Å; N373-F376 PolarHBondContact O-N 3.42Å; N373-F376 VanDerWaalsContact O-N 3.11Å; N373-E377 PolarHBondContact O-N 3.13Å |
| 374 | A | 96.9 | Very high | 95 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A370 E371 F376 E377 N378 | A370-A374 PolarHBondContact O-N 2.88Å; E371-A374 PolarHBondContact O-N 3.25Å; A374-F376 VanDerWaalsContact C-N 3.35Å; A374-E377 PolarHBondContact O-N 3.31Å; A374-N378 PolarHBondContact O-N 2.69Å; A374-N378 PolarHBondContact O-ND2 3.22Å |
| 375 | C | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 10% | 0.101 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 172.9 | -67 | 0 | 0 | 0 | 0 | 111.4 | Y314 E371 L372 N373 E377 N378 Y379 | Y314-C375 HydrophobicContact CD1-CB 4.16Å; Y314-C375 HydrophobicContact CE1-CB 3.62Å; E371-C375 PolarHBondContact O-N 2.92Å; E371-C375 PolarHBondContact O-SG 2.99Å; L372-C375 PolarHBondContact O-N 2.82Å; N373-C375 VanDerWaalsContact C-N 3.32Å; N373-C375 PolarHBondContact O-N 2.93Å; C375-E377 PolarHBondContact O-N 2.88Å; C375-N378 WeakPolarHBondContact O-CB 3.42Å; C375-N378 PolarHBondContact O-N 3.33Å; C375-Y379 HydrophobicContact CB-CE2 4.41Å; C375-Y379 WeakPolarHBondContact O-CD2 3.46Å; C375-Y379 PolarHBondContact O-N 3.19Å; C375-Y379 VanDerWaalsContact O-N 3.12Å |
| 376 | F | 97.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 176.8 | -177.4 | -123.5 | 0 | 0 | 0 | 112.7 | Y314 M318 L334 E335 H338 L372 N373 A374 N378 Y379 V380 | Y314-F376 WeakPolarHBondContact OH-CB 3.24Å; M318-F376 HydrophobicContact CE-CD2 4.17Å; M318-F376 HydrophobicContact CE-CE2 4.48Å; L334-F376 HydrophobicContact CD2-CE2 4.46Å; L334-F376 HydrophobicContact CG-CE2 4.05Å; E335-F376 HydrophobicContact CB-CZ 4.43Å; H338-F376 HydrophobicContact CB-CD2 3.46Å; H338-F376 VanDerWaalsContact CB-CD2 3.46Å; H338-F376 HydrophobicContact CB-CE2 3.3Å; H338-F376 HydrophobicContact CB-CG 4.22Å; H338-F376 HydrophobicContact CB-CZ 3.95Å; H338-F376 AromaticContact CE1-CG 3.77Å; H338-F376 AromaticContact CG-CD2 3.39Å; H338-F376 AromaticContact CG-CE2 3.63Å; H338-F376 AromaticContact CG-CG 3.64Å; H338-F376 AromaticContact ND1-CD2 3.47Å; H338-F376 WeakPolarHBondContact ND1-CD2 3.45Å; H338-F376 AromaticContact ND1-CG 3.48Å; H338-F376 WeakPolarHBondContact ND1-CG 3.33Å; L372-F376 PolarHBondContact O-N 2.04Å; N373-F376 WeakPolarHBondContact O-CB 3.39Å; N373-F376 PolarHBondContact O-N 3.42Å; N373-F376 VanDerWaalsContact O-N 3.11Å; A374-F376 VanDerWaalsContact C-N 3.35Å; F376-N378 PolarHBondContact O-N 3Å; F376-Y379 PolarHBondContact O-N 3.24Å; F376-V380 HydrophobicContact CD1-CG2 4.18Å; F376-V380 HydrophobicContact CD2-CG2 4.19Å; F376-V380 HydrophobicContact CE1-CG2 3.79Å; F376-V380 HydrophobicContact CE2-CG2 3.8Å; F376-V380 HydrophobicContact CG-CG2 4.38Å; F376-V380 HydrophobicContact CZ-CG2 3.59Å; F376-V380 WeakPolarHBondContact O-CG2 3.49Å; F376-V380 PolarHBondContact O-N 3.49Å |
| 377 | E | 96.2 | Very high | 92.3 | Very high | 118 Ų | 118 | 51.1 Ų | 51.1 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56.3 | -36.6 | 176.1 | -69.5 | -178.9 | -169.4 | 0 | 0 | 112.5 | N373 A374 C375 K381 | N373-E377 PolarHBondContact O-N 3.13Å; A374-E377 PolarHBondContact O-N 3.31Å; C375-E377 PolarHBondContact O-N 2.88Å; E377-K381 WeakPolarHBondContact O-CG 3.43Å; E377-K381 PolarHBondContact O-N 3.46Å; E377-K381 VanDerWaalsContact O-N 3.16Å |
| 378 | N | 94.6 | Very high | 91 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 175.6 | -65.9 | -31.8 | 0 | 0 | 0 | 111.9 | A374 C375 F376 K381 L382 | A374-N378 PolarHBondContact O-N 2.69Å; A374-N378 PolarHBondContact O-ND2 3.22Å; C375-N378 WeakPolarHBondContact O-CB 3.42Å; C375-N378 PolarHBondContact O-N 3.33Å; F376-N378 PolarHBondContact O-N 3Å; N378-K381 PolarHBondContact O-N 3.33Å; N378-L382 PolarHBondContact O-N 3.07Å |
| 379 | Y | 94.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 9% | 0.09 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -37 | 175.2 | -74.3 | -61.6 | 0 | 0 | 0 | 112.8 | Y314 C315 M318 E319 C322 C375 F376 L382 N383 | Y314-Y379 HydrophobicContact CE1-CD2 4.31Å; Y314-Y379 HydrophobicContact CE1-CE2 4.06Å; C315-Y379 WeakPolarHBondContact CA-OH 3.49Å; C315-Y379 PolarHBondContact O-OH 3.12Å; M318-Y379 HydrophobicContact CB-CD1 4.33Å; M318-Y379 HydrophobicContact CB-CD2 3.78Å; M318-Y379 HydrophobicContact CB-CE1 3.99Å; M318-Y379 HydrophobicContact CB-CE2 3.4Å; M318-Y379 HydrophobicContact CB-CG 4.24Å; M318-Y379 HydrophobicContact CE-CD2 4.06Å; M318-Y379 HydrophobicContact CE-CG 4.09Å; M318-Y379 HydrophobicContact CG-CD2 4.17Å; M318-Y379 HydrophobicContact CG-CE2 4.05Å; E319-Y379 WeakPolarHBondContact OE2-CE1 3.43Å; C322-Y379 WeakPolarHBondContact SG-CD1 3.09Å; C375-Y379 HydrophobicContact CB-CE2 4.41Å; C375-Y379 WeakPolarHBondContact O-CD2 3.46Å; C375-Y379 PolarHBondContact O-N 3.19Å; C375-Y379 VanDerWaalsContact O-N 3.12Å; F376-Y379 PolarHBondContact O-N 3.24Å; Y379-L382 HydrophobicContact CD1-CD2 4.42Å; Y379-L382 PolarHBondContact O-N 2.81Å; Y379-N383 VanDerWaalsContact O-CB 3.28Å; Y379-N383 WeakPolarHBondContact O-CB 3.48Å; Y379-N383 PolarHBondContact O-N 2.79Å |
| 380 | V | 92.9 | Very high | 87.7 | Confident | 44 Ų | 44 | 67 Ų | 67 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L334 F376 N383 N384 | L334-V380 HydrophobicContact CD2-CG2 4.04Å; F376-V380 HydrophobicContact CD1-CG2 4.18Å; F376-V380 HydrophobicContact CD2-CG2 4.19Å; F376-V380 HydrophobicContact CE1-CG2 3.79Å; F376-V380 HydrophobicContact CE2-CG2 3.8Å; F376-V380 HydrophobicContact CG-CG2 4.38Å; F376-V380 HydrophobicContact CZ-CG2 3.59Å; F376-V380 WeakPolarHBondContact O-CG2 3.49Å; F376-V380 PolarHBondContact O-N 3.49Å; V380-N383 PolarHBondContact O-N 2.8Å; V380-N384 WeakPolarHBondContact O-CB 3.33Å; V380-N384 PolarHBondContact O-N 3.4Å; V380-N384 PolarHBondContact O-ND2 2.94Å |
| 381 | K | 91.2 | Very high | 86.2 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 176.1 | -70.2 | 168.4 | -172.5 | 165.5 | 0 | 111.8 | E377 N378 N384 G385 | E377-K381 WeakPolarHBondContact O-CG 3.43Å; E377-K381 PolarHBondContact O-N 3.46Å; E377-K381 VanDerWaalsContact O-N 3.16Å; N378-K381 PolarHBondContact O-N 3.33Å; K381-N384 PolarHBondContact O-N 2.85Å; K381-G385 PolarHBondContact O-N 3.04Å |
| 382 | L | 89 | Confident | 85 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 177.7 | -178.1 | 66.2 | 0 | 0 | 0 | 111.3 | N378 Y379 G385 K386 | N378-L382 PolarHBondContact O-N 3.07Å; Y379-L382 HydrophobicContact CD1-CD2 4.42Å; Y379-L382 PolarHBondContact O-N 2.81Å; L382-G385 PolarHBondContact O-N 2.72Å; L382-K386 PolarHBondContact O-N 3.09Å |
| 383 | N | 87.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 179.7 | -173.1 | 58.9 | 0 | 0 | 0 | 111.8 | Y328 L329 L334 Y379 V380 G385 K386 N387 | Y328-N383 WeakPolarHBondContact CD2-ND2 3.06Å; Y328-N383 VanDerWaalsContact CD2-O 3.32Å; Y328-N383 WeakPolarHBondContact CD2-O 3.35Å; Y328-N383 WeakPolarHBondContact CE2-ND2 3.42Å; L329-N383 PolarHBondContact N-OD1 3.45Å; L329-N383 PolarHBondContact O-ND2 3.17Å; L334-N383 HydrophobicContact CD2-CB 3.84Å; Y379-N383 VanDerWaalsContact O-CB 3.28Å; Y379-N383 WeakPolarHBondContact O-CB 3.48Å; Y379-N383 PolarHBondContact O-N 2.79Å; V380-N383 PolarHBondContact O-N 2.8Å; N383-G385 VanDerWaalsContact C-N 3.26Å; N383-G385 PolarHBondContact O-N 2.91Å; N383-K386 WeakPolarHBondContact O-CB 3.11Å; N383-K386 PolarHBondContact O-N 3.11Å; N383-N387 PolarHBondContact O-N 3.41Å |
| 384 | N | 85.7 | Confident | 83 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -36 | 175.8 | -73.6 | -19 | 0 | 0 | 0 | 112.5 | V380 K381 K386 N387 M388 | V380-N384 WeakPolarHBondContact O-CB 3.33Å; V380-N384 PolarHBondContact O-N 3.4Å; V380-N384 PolarHBondContact O-ND2 2.94Å; K381-N384 PolarHBondContact O-N 2.85Å; N384-K386 VanDerWaalsContact C-N 3.26Å; N384-K386 PolarHBondContact O-N 3.19Å; N384-N387 PolarHBondContact O-N 2.96Å; N384-N387 VanDerWaalsContact O-N 3.15Å; N384-M388 PolarHBondContact O-N 2.65Å |
| 385 | G | 83.5 | Confident | 82.2 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.5 | -39.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K381 L382 N383 N387 M388 F389 | K381-G385 PolarHBondContact O-N 3.04Å; L382-G385 PolarHBondContact O-N 2.72Å; N383-G385 VanDerWaalsContact C-N 3.26Å; N383-G385 PolarHBondContact O-N 2.91Å; G385-N387 PolarHBondContact O-N 2.67Å; G385-M388 PolarHBondContact O-N 3.11Å; G385-F389 WeakPolarHBondContact O-CD2 3.46Å; G385-F389 PolarHBondContact O-N 3.48Å |
| 386 | K | 79.1 | Confident | 81.7 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 177.7 | -57.1 | 174.9 | -177 | 177.5 | 0 | 112.6 | C322 G323 T326 L382 N383 N384 R390 | C322-K386 VanDerWaalsContact C-NZ 3.31Å; C322-K386 PolarHBondContact O-NZ 2.97Å; G323-K386 VanDerWaalsContact O-CE 3.26Å; G323-K386 WeakPolarHBondContact O-CE 3.46Å; G323-K386 PolarHBondContact O-NZ 2.83Å; T326-K386 WeakPolarHBondContact O-CD 3.3Å; T326-K386 VanDerWaalsContact O-CE 3.29Å; T326-K386 WeakPolarHBondContact O-CE 3.46Å; T326-K386 PolarHBondContact O-NZ 3.39Å; T326-K386 PolarHBondContact OG1-NZ 2.88Å; L382-K386 PolarHBondContact O-N 3.09Å; N383-K386 WeakPolarHBondContact O-CB 3.11Å; N383-K386 PolarHBondContact O-N 3.11Å; N384-K386 VanDerWaalsContact C-N 3.26Å; N384-K386 PolarHBondContact O-N 3.19Å; K386-R390 PolarHBondContact O-N 3.32Å |
| 387 | N | 72.8 | Confident | 81.2 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 178.8 | -165.7 | 11.6 | 0 | 0 | 0 | 112.3 | Y328 N383 N384 G385 F389 R390 S391 | Y328-N387 HydrophobicContact CD2-CB 3.65Å; Y328-N387 HydrophobicContact CE2-CB 3.56Å; Y328-N387 HydrophobicContact CG-CB 4.15Å; N383-N387 PolarHBondContact O-N 3.41Å; N384-N387 PolarHBondContact O-N 2.96Å; N384-N387 VanDerWaalsContact O-N 3.15Å; G385-N387 PolarHBondContact O-N 2.67Å; N387-F389 PolarHBondContact O-N 3.11Å; N387-R390 PolarHBondContact O-N 3.29Å; N387-S391 WeakPolarHBondContact O-CB 3.36Å; N387-S391 PolarHBondContact O-N 2.78Å; N387-S391 PolarHBondContact O-OG 3.04Å |
| 388 | M | 68.2 | Low | 80.7 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 58% | 0.576 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.8 | -47.7 | 175.4 | -75.5 | 174.4 | 27.5 | 0 | 0 | 110.9 | N384 G385 R390 S391 F392 | N384-M388 PolarHBondContact O-N 2.65Å; G385-M388 PolarHBondContact O-N 3.11Å; M388-R390 VanDerWaalsContact C-N 3.31Å; M388-R390 PolarHBondContact O-N 3.13Å; M388-S391 PolarHBondContact O-N 3.46Å; M388-S391 VanDerWaalsContact O-N 3.14Å; M388-F392 VanDerWaalsContact O-CD2 3.25Å; M388-F392 WeakPolarHBondContact O-CD2 2.84Å; M388-F392 PolarHBondContact O-N 2.94Å |
| 389 | F | 64.1 | Low | 80.4 | Confident | 166 Ų | 166 | 68.3 Ų | 68.3 | 73% | 0.728 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.5 | -38.7 | 176.6 | -74 | -69 | 0 | 0 | 0 | 112.8 | G385 N387 F392 | G385-F389 WeakPolarHBondContact O-CD2 3.46Å; G385-F389 PolarHBondContact O-N 3.48Å; N387-F389 PolarHBondContact O-N 3.11Å; F389-F392 PolarHBondContact O-N 3.3Å |
| 390 | R | 61.9 | Low | 80.2 | Confident | 173 Ų | 173 | 71.5 Ų | 71.5 | 65% | 0.653 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.8 | -36.4 | 176.3 | -166.1 | 175.5 | -179.7 | 175.5 | 0.3 | 112.3 | K386 N387 M388 F392 R393 | K386-R390 PolarHBondContact O-N 3.32Å; N387-R390 PolarHBondContact O-N 3.29Å; M388-R390 VanDerWaalsContact C-N 3.31Å; M388-R390 PolarHBondContact O-N 3.13Å; R390-F392 VanDerWaalsContact C-N 3.26Å; R390-F392 PolarHBondContact O-N 3.42Å; R390-R393 WeakPolarHBondContact O-CB 3.45Å; R390-R393 PolarHBondContact O-N 2.96Å; R390-R393 VanDerWaalsContact O-N 3.16Å |
| 391 | S | 65.7 | Low | 79.9 | Confident | 30 Ų | 30 | 72 Ų | 72 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.9 | -24.4 | 179.8 | -60 | 0 | 0 | 0 | 0 | 113 | N387 M388 R393 P395 | N387-S391 WeakPolarHBondContact O-CB 3.36Å; N387-S391 PolarHBondContact O-N 2.78Å; N387-S391 PolarHBondContact O-OG 3.04Å; M388-S391 PolarHBondContact O-N 3.46Å; M388-S391 VanDerWaalsContact O-N 3.14Å; S391-R393 VanDerWaalsContact C-N 3.32Å; S391-P395 WeakPolarHBondContact O-CD 3.4Å |
| 392 | F | 71.9 | Confident | 79.9 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.1 | 173 | -84.7 | -76.5 | 0 | 0 | 0 | 114.3 | M388 F389 R390 P395 A396 | M388-F392 VanDerWaalsContact O-CD2 3.25Å; M388-F392 WeakPolarHBondContact O-CD2 2.84Å; M388-F392 PolarHBondContact O-N 2.94Å; F389-F392 PolarHBondContact O-N 3.3Å; R390-F392 VanDerWaalsContact C-N 3.26Å; R390-F392 PolarHBondContact O-N 3.42Å; F392-P395 WeakPolarHBondContact O-CD 3.43Å; F392-A396 WeakPolarHBondContact O-CB 3.46Å; F392-A396 PolarHBondContact O-N 2.83Å |
| 393 | R | 73.5 | Confident | 80 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | -176.9 | -173.3 | 175.1 | 172.3 | -176 | -8.1 | 112.5 | R390 S391 A396 V397 | R390-R393 WeakPolarHBondContact O-CB 3.45Å; R390-R393 PolarHBondContact O-N 2.96Å; R390-R393 VanDerWaalsContact O-N 3.16Å; S391-R393 VanDerWaalsContact C-N 3.32Å; R393-A396 PolarHBondContact O-N 2.7Å; R393-V397 WeakPolarHBondContact O-CG2 3.27Å; R393-V397 PolarHBondContact O-N 3.31Å |
| 394 | T | 78.8 | Confident | 80.3 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -49.2 | -177.7 | -50.8 | 0 | 0 | 0 | 0 | 112 | A396 V397 F398 W438 I454 D455 | T394-A396 VanDerWaalsContact C-N 3.3Å; T394-A396 PolarHBondContact O-N 2.92Å; T394-V397 PolarHBondContact O-N 3.2Å; T394-F398 HydrophobicContact CG2-CD2 3.82Å; T394-F398 HydrophobicContact CG2-CE2 3.66Å; T394-F398 WeakPolarHBondContact O-CD2 3.43Å; T394-F398 PolarHBondContact O-N 3.45Å; T394-W438 HydrophobicContact CG2-CD2 4.39Å; T394-W438 HydrophobicContact CG2-CG 4.46Å; T394-W438 HydrophobicContact CG2-CZ2 4.34Å; T394-I454 HydrophobicContact CG2-CG2 4.36Å; T394-D455 WeakPolarHBondContact CB-OD1 3.45Å; T394-D455 WeakPolarHBondContact CG2-OD1 3.24Å; T394-D455 PolarHBondContact OG1-OD1 3Å |
| 395 | P | 81.5 | Confident | 80.5 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.7 | -40.4 | 172.6 | -26.6 | 34.6 | 0 | 0 | 0 | 113.6 | S391 F392 V397 F398 F399 W438 | S391-P395 WeakPolarHBondContact O-CD 3.4Å; F392-P395 WeakPolarHBondContact O-CD 3.43Å; P395-V397 PolarHBondContact O-N 3.25Å; P395-F398 PolarHBondContact O-N 2.76Å; P395-F399 WeakPolarHBondContact O-CB 3.31Å; P395-F399 PolarHBondContact O-N 3Å; P395-W438 HydrophobicContact CG-CE3 4.43Å; P395-W438 HydrophobicContact CG-CH2 3.32Å; P395-W438 HydrophobicContact CG-CZ2 4.12Å; P395-W438 HydrophobicContact CG-CZ3 3.51Å |
| 396 | A | 84.9 | Confident | 80.9 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F392 R393 T394 F399 L400 | F392-A396 WeakPolarHBondContact O-CB 3.46Å; F392-A396 PolarHBondContact O-N 2.83Å; R393-A396 PolarHBondContact O-N 2.7Å; T394-A396 VanDerWaalsContact C-N 3.3Å; T394-A396 PolarHBondContact O-N 2.92Å; A396-F399 PolarHBondContact O-N 3.45Å; A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.88Å |
| 397 | V | 86.5 | Confident | 81.5 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | R393 T394 P395 L400 M401 H458 Y462 | R393-V397 WeakPolarHBondContact O-CG2 3.27Å; R393-V397 PolarHBondContact O-N 3.31Å; T394-V397 PolarHBondContact O-N 3.2Å; P395-V397 PolarHBondContact O-N 3.25Å; V397-L400 PolarHBondContact O-N 2.8Å; V397-M401 HydrophobicContact CG1-CG 4.45Å; V397-M401 WeakPolarHBondContact O-CB 3.44Å; V397-M401 WeakPolarHBondContact O-CG 3.37Å; V397-M401 PolarHBondContact O-N 2.72Å; V397-H458 HydrophobicContact CG1-CB 4.22Å; V397-Y462 HydrophobicContact CG2-CD2 3.83Å; V397-Y462 HydrophobicContact CG2-CG 4.43Å |
| 398 | F | 85.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.9 | -87.3 | -70.8 | 0 | 0 | 0 | 111.9 | T394 P395 L400 M401 I402 T434 L435 I454 H458 | T394-F398 HydrophobicContact CG2-CD2 3.82Å; T394-F398 HydrophobicContact CG2-CE2 3.66Å; T394-F398 WeakPolarHBondContact O-CD2 3.43Å; T394-F398 PolarHBondContact O-N 3.45Å; P395-F398 PolarHBondContact O-N 2.76Å; F398-L400 VanDerWaalsContact C-N 3.34Å; F398-L400 PolarHBondContact O-N 3.35Å; F398-M401 PolarHBondContact O-N 3.18Å; F398-I402 WeakPolarHBondContact O-CB 3.43Å; F398-I402 WeakPolarHBondContact O-CD1 3.2Å; F398-I402 VanDerWaalsContact O-CG1 3.23Å; F398-I402 WeakPolarHBondContact O-CG1 3.19Å; F398-I402 PolarHBondContact O-N 3.2Å; F398-T434 WeakPolarHBondContact CE1-OG1 3.47Å; F398-L435 HydrophobicContact CB-CD1 3.89Å; F398-L435 HydrophobicContact CB-CD2 4.47Å; F398-L435 HydrophobicContact CD1-CB 4.29Å; F398-L435 HydrophobicContact CD2-CD1 3.85Å; F398-L435 HydrophobicContact CG-CB 4.35Å; F398-L435 HydrophobicContact CG-CD1 3.91Å; F398-I454 HydrophobicContact CE2-CG2 3.84Å; F398-I454 HydrophobicContact CZ-CG2 3.94Å; F398-H458 AromaticContact CE1-CE1 3.8Å; F398-H458 AromaticContact CE1-NE2 3.66Å; F398-H458 AromaticContact CE2-CD2 3.83Å; F398-H458 AromaticContact CE2-NE2 3.72Å; F398-H458 AromaticContact CZ-CD2 3.73Å; F398-H458 AromaticContact CZ-CE1 3.71Å; F398-H458 AromaticContact CZ-NE2 3.15Å; F398-H458 WeakPolarHBondContact CZ-NE2 3.46Å |
| 399 | F | 88.2 | Confident | 83.5 | Confident | 143 Ų | 143 | 75.4 Ų | 75.4 | 63% | 0.627 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.8 | -45.8 | 177.2 | -175.5 | -98.5 | 0 | 0 | 0 | 111.4 | P395 A396 M401 I402 V403 | P395-F399 WeakPolarHBondContact O-CB 3.31Å; P395-F399 PolarHBondContact O-N 3Å; A396-F399 PolarHBondContact O-N 3.45Å; F399-M401 PolarHBondContact O-N 2.9Å; F399-I402 PolarHBondContact O-N 3.32Å; F399-V403 HydrophobicContact CD1-CG2 4.3Å; F399-V403 HydrophobicContact CE1-CG2 3.98Å; F399-V403 HydrophobicContact CZ-CG2 4.12Å; F399-V403 VanDerWaalsContact O-CG2 3.29Å; F399-V403 WeakPolarHBondContact O-CG2 3.35Å; F399-V403 PolarHBondContact O-N 3.39Å |
| 400 | L | 90.8 | Very high | 84.7 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.1 | -176.5 | 65.1 | 0 | 0 | 0 | 112.3 | A396 V397 F398 I402 V403 L404 | A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.88Å; V397-L400 PolarHBondContact O-N 2.8Å; F398-L400 VanDerWaalsContact C-N 3.34Å; F398-L400 PolarHBondContact O-N 3.35Å; L400-I402 VanDerWaalsContact C-N 3.35Å; L400-I402 PolarHBondContact O-N 3.19Å; L400-V403 PolarHBondContact O-N 2.79Å; L400-L404 HydrophobicContact CD1-CD1 4.35Å; L400-L404 HydrophobicContact CD1-CG 4.39Å; L400-L404 HydrophobicContact CG-CD1 4.1Å; L400-L404 WeakPolarHBondContact O-CB 3.12Å; L400-L404 WeakPolarHBondContact O-CG 3.17Å; L400-L404 PolarHBondContact O-N 2.89Å |
| 401 | M | 88.4 | Confident | 86.1 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 178.2 | -74.8 | -61.7 | 163.1 | 0 | 0 | 112.5 | V397 F398 F399 N405 F431 V461 | V397-M401 HydrophobicContact CG1-CG 4.45Å; V397-M401 WeakPolarHBondContact O-CB 3.44Å; V397-M401 WeakPolarHBondContact O-CG 3.37Å; V397-M401 PolarHBondContact O-N 2.72Å; F398-M401 PolarHBondContact O-N 3.18Å; F399-M401 PolarHBondContact O-N 2.9Å; M401-N405 WeakPolarHBondContact O-CB 3.37Å; M401-N405 PolarHBondContact O-N 3.25Å; M401-F431 HydrophobicContact CB-CE2 4.25Å; M401-F431 HydrophobicContact CB-CZ 4.42Å; M401-V461 HydrophobicContact CE-CG1 3.48Å; M401-V461 VanDerWaalsContact CE-CG1 3.48Å |
| 402 | I | 90.4 | Very high | 87.4 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 174.2 | -72.9 | 164.5 | 0 | 0 | 0 | 110.3 | F398 F399 L400 N405 Y406 L428 F431 L432 L435 | F398-I402 WeakPolarHBondContact O-CB 3.43Å; F398-I402 WeakPolarHBondContact O-CD1 3.2Å; F398-I402 VanDerWaalsContact O-CG1 3.23Å; F398-I402 WeakPolarHBondContact O-CG1 3.19Å; F398-I402 PolarHBondContact O-N 3.2Å; F399-I402 PolarHBondContact O-N 3.32Å; L400-I402 VanDerWaalsContact C-N 3.35Å; L400-I402 PolarHBondContact O-N 3.19Å; I402-N405 PolarHBondContact O-N 3.33Å; I402-Y406 VanDerWaalsContact O-CB 3.3Å; I402-Y406 WeakPolarHBondContact O-CB 3.37Å; I402-Y406 PolarHBondContact O-N 2.81Å; I402-L428 HydrophobicContact CB-CD1 4.33Å; I402-L428 HydrophobicContact CG1-CD1 4.2Å; I402-L428 HydrophobicContact CG2-CD1 3.8Å; I402-F431 HydrophobicContact CG1-CB 4.15Å; I402-L432 HydrophobicContact CD1-CD2 4.01Å; I402-L435 HydrophobicContact CD1-CD2 4.23Å |
| 403 | V | 91.4 | Very high | 88.2 | Confident | 71 Ų | 71 | 64 Ų | 64 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 179.6 | 171 | 0 | 0 | 0 | 0 | 111.5 | F399 L400 Y406 F407 | F399-V403 HydrophobicContact CD1-CG2 4.3Å; F399-V403 HydrophobicContact CE1-CG2 3.98Å; F399-V403 HydrophobicContact CZ-CG2 4.12Å; F399-V403 VanDerWaalsContact O-CG2 3.29Å; F399-V403 WeakPolarHBondContact O-CG2 3.35Å; F399-V403 PolarHBondContact O-N 3.39Å; L400-V403 PolarHBondContact O-N 2.79Å; V403-Y406 PolarHBondContact O-N 2.74Å; V403-F407 PolarHBondContact O-N 3.01Å |
| 404 | L | 92.5 | Very high | 89.1 | Confident | 76 Ų | 76 | 66 Ų | 66 | 40% | 0.398 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.5 | -72.4 | 173.9 | 0 | 0 | 0 | 111.9 | L400 Y406 F407 F408 | L400-L404 HydrophobicContact CD1-CD1 4.35Å; L400-L404 HydrophobicContact CD1-CG 4.39Å; L400-L404 HydrophobicContact CG-CD1 4.1Å; L400-L404 WeakPolarHBondContact O-CB 3.12Å; L400-L404 WeakPolarHBondContact O-CG 3.17Å; L400-L404 PolarHBondContact O-N 2.89Å; L404-Y406 VanDerWaalsContact C-N 3.35Å; L404-Y406 PolarHBondContact O-N 3.04Å; L404-F407 WeakPolarHBondContact O-CB 3.35Å; L404-F407 PolarHBondContact O-N 3.23Å; L404-F408 WeakPolarHBondContact O-CD2 3.28Å; L404-F408 PolarHBondContact O-N 3.11Å |
| 405 | N | 91.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 177.8 | -178.4 | -90.2 | 0 | 0 | 0 | 111.8 | M401 I402 F407 F408 Q409 C424 L427 F431 | M401-N405 WeakPolarHBondContact O-CB 3.37Å; M401-N405 PolarHBondContact O-N 3.25Å; I402-N405 PolarHBondContact O-N 3.33Å; N405-F407 PolarHBondContact O-N 3.45Å; N405-F408 PolarHBondContact O-N 3.44Å; N405-Q409 PolarHBondContact O-N 3.41Å; N405-C424 PolarHBondContact OD1-O 3.03Å; N405-C424 VanDerWaalsContact OD1-O 3.06Å; N405-L427 WeakPolarHBondContact ND2-CD2 3.48Å; N405-F431 HydrophobicContact CB-CE2 4.26Å |
| 406 | Y | 91.1 | Very high | 90.1 | Very high | 123 Ų | 123 | 79.4 Ų | 79.4 | 48% | 0.482 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.6 | -175.6 | -104.7 | 0 | 0 | 0 | 111.7 | I402 V403 L404 F408 Q409 E410 | I402-Y406 VanDerWaalsContact O-CB 3.3Å; I402-Y406 WeakPolarHBondContact O-CB 3.37Å; I402-Y406 PolarHBondContact O-N 2.81Å; V403-Y406 PolarHBondContact O-N 2.74Å; L404-Y406 VanDerWaalsContact C-N 3.35Å; L404-Y406 PolarHBondContact O-N 3.04Å; Y406-F408 PolarHBondContact O-N 3.41Å; Y406-Q409 WeakPolarHBondContact O-CB 3.48Å; Y406-Q409 PolarHBondContact O-N 2.99Å; Y406-E410 HydrophobicContact CD1-CG 4.49Å; Y406-E410 HydrophobicContact CE1-CG 4.01Å; Y406-E410 HydrophobicContact CE2-CG 4.4Å; Y406-E410 VanDerWaalsContact CZ-OE1 3.29Å; Y406-E410 PolarHBondContact O-N 2.85Å; Y406-E410 PolarHBondContact OH-OE1 3.45Å |
| 407 | F | 92.4 | Very high | 90.4 | Very high | 120 Ų | 120 | 80.4 Ų | 80.4 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 174.1 | 176.4 | -94.5 | 0 | 0 | 0 | 112.6 | V403 L404 N405 E410 M411 | V403-F407 PolarHBondContact O-N 3.01Å; L404-F407 WeakPolarHBondContact O-CB 3.35Å; L404-F407 PolarHBondContact O-N 3.23Å; N405-F407 PolarHBondContact O-N 3.45Å; F407-E410 PolarHBondContact O-N 3.47Å; F407-M411 HydrophobicContact CD1-CG 4.2Å; F407-M411 HydrophobicContact CE1-CG 3.76Å; F407-M411 HydrophobicContact CE1-SD 4.2Å; F407-M411 HydrophobicContact CE2-CG 4.42Å; F407-M411 HydrophobicContact CZ-CG 3.88Å; F407-M411 HydrophobicContact CZ-SD 3.98Å; F407-M411 WeakPolarHBondContact O-CG 3.23Å; F407-M411 PolarHBondContact O-N 3.22Å |
| 408 | F | 90.8 | Very high | 90.5 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 177 | -76.9 | -65.1 | 0 | 0 | 0 | 112.8 | L404 N405 Y406 M411 F412 | L404-F408 WeakPolarHBondContact O-CD2 3.28Å; L404-F408 PolarHBondContact O-N 3.11Å; N405-F408 PolarHBondContact O-N 3.44Å; Y406-F408 PolarHBondContact O-N 3.41Å; F408-M411 PolarHBondContact O-N 2.66Å; F408-F412 HydrophobicContact CB-CD2 4.49Å; F408-F412 HydrophobicContact CB-CE2 4.09Å; F408-F412 WeakPolarHBondContact O-CD2 3.31Å; F408-F412 VanDerWaalsContact O-CG 3.31Å; F408-F412 WeakPolarHBondContact O-CG 3.39Å; F408-F412 PolarHBondContact O-N 2.86Å |
| 409 | Q | 91.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 92.8 Ų | 92.8 | 15% | 0.15 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 173.5 | -171.8 | -174.6 | -58 | 0 | 0 | 110.8 | N405 Y406 M411 F412 V413 C424 | N405-Q409 PolarHBondContact O-N 3.41Å; Y406-Q409 WeakPolarHBondContact O-CB 3.48Å; Y406-Q409 PolarHBondContact O-N 2.99Å; Q409-M411 VanDerWaalsContact C-N 3.33Å; Q409-M411 PolarHBondContact O-N 3.35Å; Q409-F412 PolarHBondContact O-N 2.83Å; Q409-V413 WeakPolarHBondContact O-CG2 3.43Å; Q409-V413 PolarHBondContact O-N 3.43Å; Q409-C424 HydrophobicContact CB-CB 3.77Å; Q409-C424 HydrophobicContact CG-CB 4.07Å |
| 410 | E | 90.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 89.5 Ų | 89.5 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 178.5 | -67.9 | -64.2 | 159.1 | 0 | 0 | 112 | Y406 F407 V413 L414 | Y406-E410 HydrophobicContact CD1-CG 4.49Å; Y406-E410 HydrophobicContact CE1-CG 4.01Å; Y406-E410 HydrophobicContact CE2-CG 4.4Å; Y406-E410 VanDerWaalsContact CZ-OE1 3.29Å; Y406-E410 PolarHBondContact O-N 2.85Å; Y406-E410 PolarHBondContact OH-OE1 3.45Å; F407-E410 PolarHBondContact O-N 3.47Å; E410-V413 PolarHBondContact O-N 2.87Å; E410-L414 WeakPolarHBondContact O-CB 3.34Å; E410-L414 PolarHBondContact O-N 2.96Å |
| 411 | M | 91.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 85.6 Ų | 85.6 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.7 | -74.6 | -96.6 | 79.1 | 0 | 0 | 112.5 | F407 F408 Q409 L414 L415 | F407-M411 HydrophobicContact CD1-CG 4.2Å; F407-M411 HydrophobicContact CE1-CG 3.76Å; F407-M411 HydrophobicContact CE1-SD 4.2Å; F407-M411 HydrophobicContact CE2-CG 4.42Å; F407-M411 HydrophobicContact CZ-CG 3.88Å; F407-M411 HydrophobicContact CZ-SD 3.98Å; F407-M411 WeakPolarHBondContact O-CG 3.23Å; F407-M411 PolarHBondContact O-N 3.22Å; F408-M411 PolarHBondContact O-N 2.66Å; Q409-M411 VanDerWaalsContact C-N 3.33Å; Q409-M411 PolarHBondContact O-N 3.35Å; M411-L414 HydrophobicContact CE-CD2 3.7Å; M411-L414 WeakPolarHBondContact O-CB 3.1Å; M411-L414 PolarHBondContact O-N 2.94Å; M411-L415 WeakPolarHBondContact O-CG 3.25Å; M411-L415 PolarHBondContact O-N 3.15Å |
| 412 | F | 92.2 | Very high | 90.8 | Very high | 49 Ų | 49 | 86.4 Ų | 86.4 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.5 | -35.5 | 177.9 | -66.2 | -42.6 | 0 | 0 | 0 | 112.6 | F408 Q409 L414 L415 R416 L417 L420 A421 | F408-F412 HydrophobicContact CB-CD2 4.49Å; F408-F412 HydrophobicContact CB-CE2 4.09Å; F408-F412 WeakPolarHBondContact O-CD2 3.31Å; F408-F412 VanDerWaalsContact O-CG 3.31Å; F408-F412 WeakPolarHBondContact O-CG 3.39Å; F408-F412 PolarHBondContact O-N 2.86Å; Q409-F412 PolarHBondContact O-N 2.83Å; F412-L414 VanDerWaalsContact C-N 3.35Å; F412-L415 PolarHBondContact O-N 3.34Å; F412-R416 PolarHBondContact O-N 2.81Å; F412-L417 HydrophobicContact CB-CB 4.29Å; F412-L417 HydrophobicContact CD1-CB 4.47Å; F412-L417 HydrophobicContact CD1-CD1 4.02Å; F412-L417 PolarHBondContact O-N 2.85Å; F412-L420 HydrophobicContact CB-CB 4.2Å; F412-L420 HydrophobicContact CD1-CB 4.11Å; F412-L420 HydrophobicContact CD1-CD1 4.1Å; F412-L420 HydrophobicContact CD2-CB 3.8Å; F412-L420 HydrophobicContact CE1-CB 4.45Å; F412-L420 HydrophobicContact CE1-CD1 3.99Å; F412-L420 HydrophobicContact CE2-CB 4.16Å; F412-L420 HydrophobicContact CG-CB 3.78Å; F412-L420 HydrophobicContact CZ-CB 4.48Å; F412-L420 HydrophobicContact CZ-CD1 4.38Å; F412-A421 HydrophobicContact CB-CB 4.04Å |
| 413 | V | 89 | Confident | 90.9 | Very high | 71 Ų | 71 | 90.3 Ų | 90.3 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | Q409 E410 L415 R416 A421 | Q409-V413 WeakPolarHBondContact O-CG2 3.43Å; Q409-V413 PolarHBondContact O-N 3.43Å; E410-V413 PolarHBondContact O-N 2.87Å; V413-L415 VanDerWaalsContact C-N 3.3Å; V413-L415 PolarHBondContact O-N 2.72Å; V413-R416 PolarHBondContact O-N 3.42Å; V413-R416 VanDerWaalsContact O-N 3.11Å; V413-A421 HydrophobicContact CG2-CB 3.69Å |
| 414 | L | 91.6 | Very high | 90.8 | Very high | 131 Ų | 131 | 87.6 Ų | 87.6 | 69% | 0.686 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.1 | -38.1 | 177.2 | -170.9 | 73.2 | 0 | 0 | 0 | 112.5 | E410 M411 F412 R416 | E410-L414 WeakPolarHBondContact O-CB 3.34Å; E410-L414 PolarHBondContact O-N 2.96Å; M411-L414 HydrophobicContact CE-CD2 3.7Å; M411-L414 WeakPolarHBondContact O-CB 3.1Å; M411-L414 PolarHBondContact O-N 2.94Å; F412-L414 VanDerWaalsContact C-N 3.35Å; L414-R416 VanDerWaalsContact C-N 3.27Å; L414-R416 PolarHBondContact O-N 3.5Å |
| 415 | L | 93.2 | Very high | 90.7 | Very high | 115 Ų | 115 | 87 Ų | 87 | 60% | 0.602 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 1.2 | 178.1 | -66.5 | 171.8 | 0 | 0 | 0 | 114 | M411 F412 V413 L417 | M411-L415 WeakPolarHBondContact O-CG 3.25Å; M411-L415 PolarHBondContact O-N 3.15Å; F412-L415 PolarHBondContact O-N 3.34Å; V413-L415 VanDerWaalsContact C-N 3.3Å; V413-L415 PolarHBondContact O-N 2.72Å; L415-L417 HydrophobicContact CB-CD1 3.83Å; L415-L417 HydrophobicContact CB-CG 4.04Å; L415-L417 HydrophobicContact CD1-CD1 4.09Å; L415-L417 PolarHBondContact O-N 3.09Å |
| 416 | R | 88.2 | Confident | 90.7 | Very high | 217 Ų | 217 | 90 Ų | 90 | 82% | 0.819 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 32.8 | -173.4 | -59 | -175.6 | 178.6 | 174.9 | -0.8 | 114 | F412 V413 L414 D418 | F412-R416 PolarHBondContact O-N 2.81Å; V413-R416 PolarHBondContact O-N 3.42Å; V413-R416 VanDerWaalsContact O-N 3.11Å; L414-R416 VanDerWaalsContact C-N 3.27Å; L414-R416 PolarHBondContact O-N 3.5Å; R416-D418 VanDerWaalsContact C-N 3.34Å; R416-D418 PolarHBondContact O-N 2.78Å |
| 417 | L | 91.9 | Very high | 90.7 | Very high | 77 Ų | 77 | 87.5 Ų | 87.5 | 40% | 0.403 | 45% | 0.451 | S | S | . | . | trans | -93.6 | 66.2 | 175.3 | -66.3 | 167.8 | 0 | 0 | 0 | 109.4 | F412 L415 L419 L420 A421 | F412-L417 HydrophobicContact CB-CB 4.29Å; F412-L417 HydrophobicContact CD1-CB 4.47Å; F412-L417 HydrophobicContact CD1-CD1 4.02Å; F412-L417 PolarHBondContact O-N 2.85Å; L415-L417 HydrophobicContact CB-CD1 3.83Å; L415-L417 HydrophobicContact CB-CG 4.04Å; L415-L417 HydrophobicContact CD1-CD1 4.09Å; L415-L417 PolarHBondContact O-N 3.09Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 3.48Å; L417-L420 HydrophobicContact CB-CB 4.23Å; L417-L420 HydrophobicContact CB-CD1 4.12Å; L417-L420 HydrophobicContact CD1-CD1 4.03Å; L417-L420 HydrophobicContact CG-CD1 4.48Å; L417-L420 PolarHBondContact O-N 2.87Å; L417-A421 PolarHBondContact O-N 3.19Å | ||
| 418 | D | 88.5 | Confident | 90.6 | Very high | 118 Ų | 118 | 83.3 Ų | 83.3 | 63% | 0.631 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59 | -36.4 | -168.7 | -61.3 | -32.3 | 0 | 0 | 0 | 113.5 | R416 L420 A421 S422 | R416-D418 VanDerWaalsContact C-N 3.34Å; R416-D418 PolarHBondContact O-N 2.78Å; D418-L420 PolarHBondContact O-N 2.97Å; D418-A421 PolarHBondContact O-N 3.46Å; D418-S422 WeakPolarHBondContact O-CB 3.47Å; D418-S422 PolarHBondContact O-N 3.4Å |
| 419 | L | 89.5 | Confident | 90.6 | Very high | 151 Ų | 151 | 79.7 Ų | 79.7 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 175.1 | -74.8 | 168.9 | 0 | 0 | 0 | 111.9 | L417 S422 L423 | L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 3.48Å; L419-S422 PolarHBondContact O-N 3.14Å; L419-L423 WeakPolarHBondContact O-CG 3.42Å; L419-L423 PolarHBondContact O-N 3.24Å; L419-L423 VanDerWaalsContact O-N 3.09Å |
| 420 | L | 90 | Very high | 90.6 | Very high | 73 Ų | 73 | 82.9 Ų | 82.9 | 38% | 0.382 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71 | -38.7 | 179.1 | -71.5 | 172.6 | 0 | 0 | 0 | 111.4 | F412 L417 D418 S422 L423 C424 | F412-L420 HydrophobicContact CB-CB 4.2Å; F412-L420 HydrophobicContact CD1-CB 4.11Å; F412-L420 HydrophobicContact CD1-CD1 4.1Å; F412-L420 HydrophobicContact CD2-CB 3.8Å; F412-L420 HydrophobicContact CE1-CB 4.45Å; F412-L420 HydrophobicContact CE1-CD1 3.99Å; F412-L420 HydrophobicContact CE2-CB 4.16Å; F412-L420 HydrophobicContact CG-CB 3.78Å; F412-L420 HydrophobicContact CZ-CB 4.48Å; F412-L420 HydrophobicContact CZ-CD1 4.38Å; L417-L420 HydrophobicContact CB-CB 4.23Å; L417-L420 HydrophobicContact CB-CD1 4.12Å; L417-L420 HydrophobicContact CD1-CD1 4.03Å; L417-L420 HydrophobicContact CG-CD1 4.48Å; L417-L420 PolarHBondContact O-N 2.87Å; D418-L420 PolarHBondContact O-N 2.97Å; L420-S422 VanDerWaalsContact C-N 3.34Å; L420-S422 PolarHBondContact O-N 3.33Å; L420-L423 HydrophobicContact CD2-CD1 4.36Å; L420-L423 PolarHBondContact O-N 2.9Å; L420-C424 PolarHBondContact O-N 3.19Å |
| 421 | A | 89.7 | Confident | 90.6 | Very high | 9 Ų | 9 | 80.6 Ų | 80.6 | 7% | 0.074 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F412 V413 L417 D418 L423 C424 S425 | F412-A421 HydrophobicContact CB-CB 4.04Å; V413-A421 HydrophobicContact CG2-CB 3.69Å; L417-A421 PolarHBondContact O-N 3.19Å; D418-A421 PolarHBondContact O-N 3.46Å; A421-L423 PolarHBondContact O-N 3.22Å; A421-C424 WeakPolarHBondContact O-CB 3.48Å; A421-C424 PolarHBondContact O-N 2.95Å; A421-S425 PolarHBondContact O-N 3.31Å |
| 422 | S | 89.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 81.3 Ų | 81.3 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | D418 L419 L420 S425 S426 | D418-S422 WeakPolarHBondContact O-CB 3.47Å; D418-S422 PolarHBondContact O-N 3.4Å; L419-S422 PolarHBondContact O-N 3.14Å; L420-S422 VanDerWaalsContact C-N 3.34Å; L420-S422 PolarHBondContact O-N 3.33Å; S422-S425 PolarHBondContact O-N 3.43Å; S422-S426 PolarHBondContact O-N 3.16Å; S422-S426 PolarHBondContact O-OG 3.47Å |
| 423 | L | 92.7 | Very high | 90.4 | Very high | 115 Ų | 115 | 84.6 Ų | 84.6 | 60% | 0.602 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 172.9 | -71.7 | 171.7 | 0 | 0 | 0 | 111.9 | L419 L420 A421 S426 L427 | L419-L423 WeakPolarHBondContact O-CG 3.42Å; L419-L423 PolarHBondContact O-N 3.24Å; L419-L423 VanDerWaalsContact O-N 3.09Å; L420-L423 HydrophobicContact CD2-CD1 4.36Å; L420-L423 PolarHBondContact O-N 2.9Å; A421-L423 PolarHBondContact O-N 3.22Å; L423-S426 PolarHBondContact O-N 3.1Å; L423-L427 WeakPolarHBondContact O-CB 3.49Å; L423-L427 PolarHBondContact O-N 3.28Å |
| 424 | C | 90.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 83.1 Ų | 83.1 | 10% | 0.095 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.7 | -76.8 | 0 | 0 | 0 | 0 | 111.8 | N405 Q409 L420 A421 S426 L427 L428 | N405-C424 PolarHBondContact OD1-O 3.03Å; N405-C424 VanDerWaalsContact OD1-O 3.06Å; Q409-C424 HydrophobicContact CB-CB 3.77Å; Q409-C424 HydrophobicContact CG-CB 4.07Å; L420-C424 PolarHBondContact O-N 3.19Å; A421-C424 WeakPolarHBondContact O-CB 3.48Å; A421-C424 PolarHBondContact O-N 2.95Å; C424-S426 VanDerWaalsContact C-N 3.32Å; C424-S426 PolarHBondContact O-N 3.5Å; C424-L427 WeakPolarHBondContact O-CB 3.23Å; C424-L427 PolarHBondContact O-N 2.99Å; C424-L427 VanDerWaalsContact O-N 3.09Å; C424-L428 PolarHBondContact O-N 3.04Å |
| 425 | S | 89.9 | Confident | 90.1 | Very high | 62 Ų | 62 | 78.8 Ų | 78.8 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | A421 S422 L427 L428 G429 | A421-S425 PolarHBondContact O-N 3.31Å; S422-S425 PolarHBondContact O-N 3.43Å; S425-L427 VanDerWaalsContact C-N 3.34Å; S425-L427 PolarHBondContact O-N 3.44Å; S425-L428 WeakPolarHBondContact O-CB 3.35Å; S425-L428 PolarHBondContact O-N 2.76Å; S425-G429 PolarHBondContact O-N 3.32Å; S425-G429 VanDerWaalsContact O-N 3.14Å |
| 426 | S | 89.9 | Confident | 89.9 | Confident | 76 Ų | 76 | 76.1 Ų | 76.1 | 53% | 0.531 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 173.9 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | S422 L423 C424 G429 L430 | S422-S426 PolarHBondContact O-N 3.16Å; S422-S426 PolarHBondContact O-OG 3.47Å; L423-S426 PolarHBondContact O-N 3.1Å; C424-S426 VanDerWaalsContact C-N 3.32Å; C424-S426 PolarHBondContact O-N 3.5Å; S426-G429 PolarHBondContact O-N 2.8Å; S426-L430 PolarHBondContact O-N 2.7Å |
| 427 | L | 92.2 | Very high | 89.8 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.7 | -173.7 | 61.7 | 0 | 0 | 0 | 112.1 | N405 L423 C424 S425 L430 F431 | N405-L427 WeakPolarHBondContact ND2-CD2 3.48Å; L423-L427 WeakPolarHBondContact O-CB 3.49Å; L423-L427 PolarHBondContact O-N 3.28Å; C424-L427 WeakPolarHBondContact O-CB 3.23Å; C424-L427 PolarHBondContact O-N 2.99Å; C424-L427 VanDerWaalsContact O-N 3.09Å; S425-L427 VanDerWaalsContact C-N 3.34Å; S425-L427 PolarHBondContact O-N 3.44Å; L427-L430 HydrophobicContact CD1-CD2 4.28Å; L427-L430 WeakPolarHBondContact O-CB 3.49Å; L427-L430 PolarHBondContact O-N 2.97Å; L427-F431 HydrophobicContact CD1-CE1 4.29Å; L427-F431 HydrophobicContact CD1-CE2 4.29Å; L427-F431 HydrophobicContact CD1-CZ 3.98Å; L427-F431 HydrophobicContact CD2-CE2 4.06Å; L427-F431 HydrophobicContact CD2-CZ 4.13Å; L427-F431 HydrophobicContact CG-CD2 4.28Å; L427-F431 HydrophobicContact CG-CE2 3.72Å; L427-F431 HydrophobicContact CG-CZ 3.89Å; L427-F431 PolarHBondContact O-N 3.35Å |
| 428 | L | 91.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 173.1 | -178.4 | 64.9 | 0 | 0 | 0 | 111.4 | I402 C424 S425 L430 F431 L432 | I402-L428 HydrophobicContact CB-CD1 4.33Å; I402-L428 HydrophobicContact CG1-CD1 4.2Å; I402-L428 HydrophobicContact CG2-CD1 3.8Å; C424-L428 PolarHBondContact O-N 3.04Å; S425-L428 WeakPolarHBondContact O-CB 3.35Å; S425-L428 PolarHBondContact O-N 2.76Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.12Å; L428-F431 PolarHBondContact O-N 3.33Å; L428-L432 HydrophobicContact CG-CD1 4.44Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 3.17Å |
| 429 | G | 89.9 | Confident | 89.2 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.4 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S425 S426 L432 I433 | S425-G429 PolarHBondContact O-N 3.32Å; S425-G429 VanDerWaalsContact O-N 3.14Å; S426-G429 PolarHBondContact O-N 2.8Å; G429-L432 PolarHBondContact O-N 3.15Å; G429-I433 VanDerWaalsContact O-CG1 3.26Å; G429-I433 WeakPolarHBondContact O-CG1 3.4Å; G429-I433 PolarHBondContact O-N 3.26Å |
| 430 | L | 91.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.8 | -168.3 | 75.2 | 0 | 0 | 0 | 112.3 | S426 L427 L428 I433 T434 | S426-L430 PolarHBondContact O-N 2.7Å; L427-L430 HydrophobicContact CD1-CD2 4.28Å; L427-L430 WeakPolarHBondContact O-CB 3.49Å; L427-L430 PolarHBondContact O-N 2.97Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.12Å; L430-I433 PolarHBondContact O-N 2.83Å; L430-T434 WeakPolarHBondContact O-CB 3.42Å; L430-T434 WeakPolarHBondContact O-CG2 3.33Å; L430-T434 PolarHBondContact O-N 2.72Å; L430-T434 PolarHBondContact O-OG1 2.84Å |
| 431 | F | 89.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.7 | -69.8 | -34.7 | 0 | 0 | 0 | 112.6 | M401 I402 N405 L427 L428 T434 L435 | M401-F431 HydrophobicContact CB-CE2 4.25Å; M401-F431 HydrophobicContact CB-CZ 4.42Å; I402-F431 HydrophobicContact CG1-CB 4.15Å; N405-F431 HydrophobicContact CB-CE2 4.26Å; L427-F431 HydrophobicContact CD1-CE1 4.29Å; L427-F431 HydrophobicContact CD1-CE2 4.29Å; L427-F431 HydrophobicContact CD1-CZ 3.98Å; L427-F431 HydrophobicContact CD2-CE2 4.06Å; L427-F431 HydrophobicContact CD2-CZ 4.13Å; L427-F431 HydrophobicContact CG-CD2 4.28Å; L427-F431 HydrophobicContact CG-CE2 3.72Å; L427-F431 HydrophobicContact CG-CZ 3.89Å; L427-F431 PolarHBondContact O-N 3.35Å; L428-F431 PolarHBondContact O-N 3.33Å; F431-T434 VanDerWaalsContact CA-OG1 3.29Å; F431-T434 WeakPolarHBondContact CA-OG1 3.42Å; F431-T434 PolarHBondContact O-OG1 2.89Å; F431-L435 VanDerWaalsContact O-CB 3.29Å; F431-L435 WeakPolarHBondContact O-CB 3.42Å; F431-L435 PolarHBondContact O-N 3.44Å |
| 432 | L | 90.3 | Very high | 87.8 | Confident | 88 Ų | 88 | 66.2 Ų | 66.2 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 176.6 | -69.6 | 175.1 | 0 | 0 | 0 | 112.1 | I402 L428 G429 L435 A436 | I402-L432 HydrophobicContact CD1-CD2 4.01Å; L428-L432 HydrophobicContact CG-CD1 4.44Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 3.17Å; G429-L432 PolarHBondContact O-N 3.15Å; L432-L435 PolarHBondContact O-N 3.35Å; L432-A436 VanDerWaalsContact O-CB 3.3Å; L432-A436 WeakPolarHBondContact O-CB 3.45Å; L432-A436 PolarHBondContact O-N 3.49Å |
| 433 | I | 90.4 | Very high | 87.1 | Confident | 118 Ų | 118 | 72.9 Ų | 72.9 | 61% | 0.605 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 176.3 | -68.3 | 165.4 | 0 | 0 | 0 | 110.6 | G429 L430 A436 L437 | G429-I433 VanDerWaalsContact O-CG1 3.26Å; G429-I433 WeakPolarHBondContact O-CG1 3.4Å; G429-I433 PolarHBondContact O-N 3.26Å; L430-I433 PolarHBondContact O-N 2.83Å; I433-A436 PolarHBondContact O-N 3.3Å; I433-L437 WeakPolarHBondContact O-CB 3.23Å; I433-L437 PolarHBondContact O-N 3.19Å |
| 434 | T | 87.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 178 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | F398 L430 F431 L437 W438 | F398-T434 WeakPolarHBondContact CE1-OG1 3.47Å; L430-T434 WeakPolarHBondContact O-CB 3.42Å; L430-T434 WeakPolarHBondContact O-CG2 3.33Å; L430-T434 PolarHBondContact O-N 2.72Å; L430-T434 PolarHBondContact O-OG1 2.84Å; F431-T434 VanDerWaalsContact CA-OG1 3.29Å; F431-T434 WeakPolarHBondContact CA-OG1 3.42Å; F431-T434 PolarHBondContact O-OG1 2.89Å; T434-L437 PolarHBondContact O-N 3.41Å; T434-W438 WeakPolarHBondContact O-CB 3.37Å; T434-W438 PolarHBondContact O-N 3.23Å |
| 435 | L | 87.4 | Confident | 84.9 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 172.8 | -178.4 | 64.6 | 0 | 0 | 0 | 112 | F398 I402 F431 L432 W438 T439 | F398-L435 HydrophobicContact CB-CD1 3.89Å; F398-L435 HydrophobicContact CB-CD2 4.47Å; F398-L435 HydrophobicContact CD1-CB 4.29Å; F398-L435 HydrophobicContact CD2-CD1 3.85Å; F398-L435 HydrophobicContact CG-CB 4.35Å; F398-L435 HydrophobicContact CG-CD1 3.91Å; I402-L435 HydrophobicContact CD1-CD2 4.23Å; F431-L435 VanDerWaalsContact O-CB 3.29Å; F431-L435 WeakPolarHBondContact O-CB 3.42Å; F431-L435 PolarHBondContact O-N 3.44Å; L432-L435 PolarHBondContact O-N 3.35Å; L435-W438 HydrophobicContact CD1-CE3 4.39Å; L435-W438 PolarHBondContact O-N 3.07Å; L435-T439 WeakPolarHBondContact O-CB 3.46Å; L435-T439 PolarHBondContact O-N 3.41Å; L435-T439 PolarHBondContact O-OG1 3.05Å |
| 436 | A | 87.9 | Confident | 83.5 | Confident | 58 Ų | 58 | 73 Ų | 73 | 48% | 0.479 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L432 I433 T439 Y440 | L432-A436 VanDerWaalsContact O-CB 3.3Å; L432-A436 WeakPolarHBondContact O-CB 3.45Å; L432-A436 PolarHBondContact O-N 3.49Å; I433-A436 PolarHBondContact O-N 3.3Å; A436-T439 PolarHBondContact O-N 3.07Å; A436-Y440 VanDerWaalsContact O-CB 3.31Å; A436-Y440 WeakPolarHBondContact O-CB 3.29Å; A436-Y440 PolarHBondContact O-N 3.46Å |
| 437 | L | 86.4 | Confident | 82.1 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 42% | 0.419 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.3 | -173.1 | 67.6 | 0 | 0 | 0 | 111.4 | I433 T434 T439 Y440 V441 | I433-L437 WeakPolarHBondContact O-CB 3.23Å; I433-L437 PolarHBondContact O-N 3.19Å; T434-L437 PolarHBondContact O-N 3.41Å; L437-T439 VanDerWaalsContact C-N 3.35Å; L437-T439 PolarHBondContact O-N 3.21Å; L437-Y440 PolarHBondContact O-N 2.88Å; L437-V441 WeakPolarHBondContact O-CB 3.09Å; L437-V441 VanDerWaalsContact O-CG2 3.27Å; L437-V441 WeakPolarHBondContact O-CG2 3.46Å; L437-V441 PolarHBondContact O-N 2.99Å |
| 438 | W | 84.6 | Confident | 80.7 | Confident | 21 Ų | 21 | 80.8 Ų | 80.8 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.8 | 179.2 | 92.4 | 0 | 0 | 0 | 111.9 | T394 P395 T434 L435 V441 R442 I454 D455 | T394-W438 HydrophobicContact CG2-CD2 4.39Å; T394-W438 HydrophobicContact CG2-CG 4.46Å; T394-W438 HydrophobicContact CG2-CZ2 4.34Å; P395-W438 HydrophobicContact CG-CE3 4.43Å; P395-W438 HydrophobicContact CG-CH2 3.32Å; P395-W438 HydrophobicContact CG-CZ2 4.12Å; P395-W438 HydrophobicContact CG-CZ3 3.51Å; T434-W438 WeakPolarHBondContact O-CB 3.37Å; T434-W438 PolarHBondContact O-N 3.23Å; L435-W438 HydrophobicContact CD1-CE3 4.39Å; L435-W438 PolarHBondContact O-N 3.07Å; W438-V441 PolarHBondContact O-N 2.59Å; W438-R442 HydrophobicContact CD2-CG 4.17Å; W438-R442 HydrophobicContact CE3-CG 4.42Å; W438-R442 HydrophobicContact CH2-CG 4.13Å; W438-R442 HydrophobicContact CZ2-CG 3.9Å; W438-R442 HydrophobicContact CZ3-CG 4.38Å; W438-R442 WeakPolarHBondContact O-CB 3.24Å; W438-R442 WeakPolarHBondContact O-CG 3.25Å; W438-R442 PolarHBondContact O-N 3.11Å; W438-I454 HydrophobicContact CB-CD1 4.29Å; W438-I454 HydrophobicContact CG-CG2 4.43Å; W438-D455 PolarHBondContact NE1-OD1 2.96Å |
| 439 | T | 83 | Confident | 79.7 | Confident | 71 Ų | 71 | 86.7 Ų | 86.7 | 44% | 0.436 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | L435 A436 L437 R442 Y443 | L435-T439 WeakPolarHBondContact O-CB 3.46Å; L435-T439 PolarHBondContact O-N 3.41Å; L435-T439 PolarHBondContact O-OG1 3.05Å; A436-T439 PolarHBondContact O-N 3.07Å; L437-T439 VanDerWaalsContact C-N 3.35Å; L437-T439 PolarHBondContact O-N 3.21Å; T439-R442 PolarHBondContact O-N 2.62Å; T439-Y443 WeakPolarHBondContact O-CB 3.48Å; T439-Y443 PolarHBondContact O-N 3.14Å |
| 440 | Y | 83.5 | Confident | 78.6 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 175.4 | -179.7 | -97.7 | 0 | 0 | 0 | 111.3 | A436 L437 R442 Y443 T444 | A436-Y440 VanDerWaalsContact O-CB 3.31Å; A436-Y440 WeakPolarHBondContact O-CB 3.29Å; A436-Y440 PolarHBondContact O-N 3.46Å; L437-Y440 PolarHBondContact O-N 2.88Å; Y440-R442 VanDerWaalsContact C-N 3.27Å; Y440-R442 PolarHBondContact O-N 2.62Å; Y440-Y443 PolarHBondContact O-N 2.87Å; Y440-Y443 VanDerWaalsContact O-N 3.1Å; Y440-T444 HydrophobicContact CD1-CG2 4.47Å; Y440-T444 HydrophobicContact CD2-CG2 3.95Å; Y440-T444 HydrophobicContact CE1-CG2 4.16Å; Y440-T444 HydrophobicContact CE2-CG2 3.6Å; Y440-T444 HydrophobicContact CG-CG2 4.38Å; Y440-T444 PolarHBondContact O-N 3.31Å; Y440-T444 PolarHBondContact O-OG1 2.83Å |
| 441 | V | 81.1 | Confident | 77.4 | Confident | 10 Ų | 10 | 86.2 Ų | 86.2 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 177.5 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | L437 W438 G445 M447 | L437-V441 WeakPolarHBondContact O-CB 3.09Å; L437-V441 VanDerWaalsContact O-CG2 3.27Å; L437-V441 WeakPolarHBondContact O-CG2 3.46Å; L437-V441 PolarHBondContact O-N 2.99Å; W438-V441 PolarHBondContact O-N 2.59Å; V441-G445 WeakPolarHBondContact O-CA 3.43Å; V441-G445 PolarHBondContact O-N 2.88Å; V441-M447 HydrophobicContact CG2-CB 4.39Å |
| 442 | R | 75.3 | Confident | 76.3 | Confident | 116 Ų | 116 | 90.5 Ų | 90.5 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.3 | -33.3 | 177.2 | -76.3 | -70.3 | -174 | 166.4 | -0.2 | 113.3 | W438 T439 Y440 D455 | W438-R442 HydrophobicContact CD2-CG 4.17Å; W438-R442 HydrophobicContact CE3-CG 4.42Å; W438-R442 HydrophobicContact CH2-CG 4.13Å; W438-R442 HydrophobicContact CZ2-CG 3.9Å; W438-R442 HydrophobicContact CZ3-CG 4.38Å; W438-R442 WeakPolarHBondContact O-CB 3.24Å; W438-R442 WeakPolarHBondContact O-CG 3.25Å; W438-R442 PolarHBondContact O-N 3.11Å; T439-R442 PolarHBondContact O-N 2.62Å; Y440-R442 VanDerWaalsContact C-N 3.27Å; Y440-R442 PolarHBondContact O-N 2.62Å; R442-D455 IonicContact CZ-OD2 3.74Å; R442-D455 IonicContact NH2-OD2 2.76Å; R442-D455 PolarHBondContact NH2-OD2 3.3Å |
| 443 | Y | 74.8 | Confident | 75.6 | Confident | 213 Ų | 213 | 89.7 Ų | 89.7 | 84% | 0.835 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -79.5 | -43 | 179.9 | -172.5 | -96.5 | 0 | 0 | 0 | 112.5 | T439 Y440 | T439-Y443 WeakPolarHBondContact O-CB 3.48Å; T439-Y443 PolarHBondContact O-N 3.14Å; Y440-Y443 PolarHBondContact O-N 2.87Å; Y440-Y443 VanDerWaalsContact O-N 3.1Å |
| 444 | T | 76.4 | Confident | 74.6 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -84.5 | -28.3 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | Y440 D446 | Y440-T444 HydrophobicContact CD1-CG2 4.47Å; Y440-T444 HydrophobicContact CD2-CG2 3.95Å; Y440-T444 HydrophobicContact CE1-CG2 4.16Å; Y440-T444 HydrophobicContact CE2-CG2 3.6Å; Y440-T444 HydrophobicContact CG-CG2 4.38Å; Y440-T444 PolarHBondContact O-N 3.31Å; Y440-T444 PolarHBondContact O-OG1 2.83Å; T444-D446 PolarHBondContact O-N 3.29Å; T444-D446 PolarHBondContact OG1-N 3.42Å |
| 445 | G | 61.3 | Low | 73.8 | Confident | 32 Ų | 32 | 85 Ų | 85 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | trans | 75.8 | -2.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V441 R448 | V441-G445 WeakPolarHBondContact O-CA 3.43Å; V441-G445 PolarHBondContact O-N 2.88Å; G445-R448 WeakPolarHBondContact O-CG 3.31Å | ||
| 446 | D | 58.8 | Low | 73.1 | Confident | 108 Ų | 108 | 87.4 Ų | 87.4 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | trans | -78.3 | 149.6 | 172.5 | -82.5 | -27.1 | 0 | 0 | 0 | 110.8 | T444 | T444-D446 PolarHBondContact O-N 3.29Å; T444-D446 PolarHBondContact OG1-N 3.42Å | ||
| 447 | M | 62.2 | Low | 72.3 | Confident | 124 Ų | 124 | 91.5 Ų | 91.5 | 61% | 0.611 | 44% | 0.437 | S | S | * | . | trans | 62.2 | 44.1 | 177.9 | -59.4 | -81.4 | -85.7 | 0 | 0 | 114.7 | V441 E449 F450 G451 | V441-M447 HydrophobicContact CG2-CB 4.39Å; M447-E449 PolarHBondContact O-N 3.39Å; M447-E449 VanDerWaalsContact O-N 3.13Å; M447-F450 HydrophobicContact CE-CD2 3.48Å; M447-F450 VanDerWaalsContact CE-CD2 3.48Å; M447-F450 HydrophobicContact CE-CE2 3.49Å; M447-F450 VanDerWaalsContact CE-CE2 3.49Å; M447-F450 HydrophobicContact CE-CG 4.47Å; M447-F450 HydrophobicContact CE-CZ 4.49Å; M447-F450 PolarHBondContact O-N 2.95Å; M447-F450 VanDerWaalsContact O-N 3.08Å; M447-F450 HydrophobicContact SD-CD2 4.4Å; M447-G451 PolarHBondContact O-N 3.26Å | ||
| 448 | R | 61.2 | Low | 71.2 | Confident | 187 Ų | 187 | 89.4 Ų | 89.4 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.6 | -33.8 | 179.3 | -68.9 | -176.8 | 174.6 | 179.5 | -3.8 | 114.4 | G445 F450 G451 Q452 | G445-R448 WeakPolarHBondContact O-CG 3.31Å; R448-F450 VanDerWaalsContact C-N 3.34Å; R448-F450 PolarHBondContact O-N 2.9Å; R448-G451 PolarHBondContact O-N 3.33Å; R448-Q452 WeakPolarHBondContact O-CG 3.46Å; R448-Q452 PolarHBondContact O-N 3Å |
| 449 | E | 70 | Confident | 70.2 | Confident | 155 Ų | 155 | 90.1 Ų | 90.1 | 72% | 0.724 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.5 | -38 | 178.3 | -69.8 | -171.4 | 161.8 | 0 | 0 | 113 | M447 Q452 T453 | M447-E449 PolarHBondContact O-N 3.39Å; M447-E449 VanDerWaalsContact O-N 3.13Å; E449-Q452 PolarHBondContact O-N 3.41Å; E449-T453 PolarHBondContact O-N 3.2Å; E449-T453 VanDerWaalsContact O-N 3.09Å; E449-T453 PolarHBondContact O-OG1 2.79Å |
| 450 | F | 67.2 | Low | 69.3 | Low | 115 Ų | 115 | 90.2 Ų | 90.2 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 176.6 | -86.6 | -87.6 | 0 | 0 | 0 | 111.6 | M447 R448 Q452 T453 I454 | M447-F450 HydrophobicContact CE-CD2 3.48Å; M447-F450 VanDerWaalsContact CE-CD2 3.48Å; M447-F450 HydrophobicContact CE-CE2 3.49Å; M447-F450 VanDerWaalsContact CE-CE2 3.49Å; M447-F450 HydrophobicContact CE-CG 4.47Å; M447-F450 HydrophobicContact CE-CZ 4.49Å; M447-F450 PolarHBondContact O-N 2.95Å; M447-F450 VanDerWaalsContact O-N 3.08Å; M447-F450 HydrophobicContact SD-CD2 4.4Å; R448-F450 VanDerWaalsContact C-N 3.34Å; R448-F450 PolarHBondContact O-N 2.9Å; F450-Q452 VanDerWaalsContact C-N 3.32Å; F450-Q452 PolarHBondContact O-N 3.07Å; F450-T453 PolarHBondContact O-N 2.91Å; F450-I454 WeakPolarHBondContact O-CG1 3.29Å; F450-I454 PolarHBondContact O-N 2.8Å; F450-I454 VanDerWaalsContact O-N 3.08Å |
| 451 | G | 66.2 | Low | 68.4 | Low | 5 Ų | 5 | 86 Ų | 86 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M447 R448 I454 D455 | M447-G451 PolarHBondContact O-N 3.26Å; R448-G451 PolarHBondContact O-N 3.33Å; G451-I454 PolarHBondContact O-N 3.27Å; G451-D455 PolarHBondContact O-N 3.12Å |
| 452 | Q | 67.4 | Low | 67.4 | Low | 127 Ų | 127 | 90.1 Ų | 90.1 | 59% | 0.593 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.8 | -36.7 | 176.2 | -71.3 | 177.8 | 0.4 | 0 | 0 | 112.9 | R448 E449 F450 D455 T456 | R448-Q452 WeakPolarHBondContact O-CG 3.46Å; R448-Q452 PolarHBondContact O-N 3Å; E449-Q452 PolarHBondContact O-N 3.41Å; F450-Q452 VanDerWaalsContact C-N 3.32Å; F450-Q452 PolarHBondContact O-N 3.07Å; Q452-D455 PolarHBondContact O-N 3.36Å; Q452-T456 WeakPolarHBondContact O-CB 3.4Å; Q452-T456 WeakPolarHBondContact O-CG2 3.48Å; Q452-T456 PolarHBondContact O-N 3Å; Q452-T456 PolarHBondContact O-OG1 2.89Å |
| 453 | T | 75.4 | Confident | 66.7 | Low | 71 Ų | 71 | 88 Ų | 88 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | E449 F450 T456 K457 | E449-T453 PolarHBondContact O-N 3.2Å; E449-T453 VanDerWaalsContact O-N 3.09Å; E449-T453 PolarHBondContact O-OG1 2.79Å; F450-T453 PolarHBondContact O-N 2.91Å; T453-T456 WeakPolarHBondContact CA-OG1 3.42Å; T453-T456 PolarHBondContact O-OG1 3.46Å; T453-K457 PolarHBondContact O-N 3.39Å; T453-K457 VanDerWaalsContact O-N 3.15Å |
| 454 | I | 70.1 | Confident | 65.9 | Low | 24 Ų | 24 | 81 Ų | 81 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.9 | -49.5 | 173.6 | -65.2 | 171.6 | 0 | 0 | 0 | 109.5 | T394 F398 W438 F450 G451 T456 K457 H458 | T394-I454 HydrophobicContact CG2-CG2 4.36Å; F398-I454 HydrophobicContact CE2-CG2 3.84Å; F398-I454 HydrophobicContact CZ-CG2 3.94Å; W438-I454 HydrophobicContact CB-CD1 4.29Å; W438-I454 HydrophobicContact CG-CG2 4.43Å; F450-I454 WeakPolarHBondContact O-CG1 3.29Å; F450-I454 PolarHBondContact O-N 2.8Å; F450-I454 VanDerWaalsContact O-N 3.08Å; G451-I454 PolarHBondContact O-N 3.27Å; I454-T456 VanDerWaalsContact C-N 3.31Å; I454-T456 PolarHBondContact O-N 3.04Å; I454-K457 PolarHBondContact O-N 3.4Å; I454-H458 PolarHBondContact O-CD2 3.18Å; I454-H458 PolarHBondContact O-N 2.98Å |
| 455 | D | 69.7 | Low | 64.9 | Low | 33 Ų | 33 | 80.8 Ų | 80.8 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60 | -38.2 | -179.8 | -73.9 | -20.6 | 0 | 0 | 0 | 112.3 | T394 W438 R442 G451 Q452 A459 | T394-D455 WeakPolarHBondContact CB-OD1 3.45Å; T394-D455 WeakPolarHBondContact CG2-OD1 3.24Å; T394-D455 PolarHBondContact OG1-OD1 3Å; W438-D455 PolarHBondContact NE1-OD1 2.96Å; R442-D455 IonicContact CZ-OD2 3.74Å; R442-D455 IonicContact NH2-OD2 2.76Å; R442-D455 PolarHBondContact NH2-OD2 3.3Å; G451-D455 PolarHBondContact O-N 3.12Å; Q452-D455 PolarHBondContact O-N 3.36Å; D455-A459 VanDerWaalsContact O-CB 3.23Å; D455-A459 WeakPolarHBondContact O-CB 3.31Å; D455-A459 PolarHBondContact O-N 2.74Å |
| 456 | T | 72.7 | Confident | 64.5 | Low | 93 Ų | 93 | 82.6 Ų | 82.6 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.8 | -42.6 | 177.2 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | Q452 T453 I454 A459 S460 | Q452-T456 WeakPolarHBondContact O-CB 3.4Å; Q452-T456 WeakPolarHBondContact O-CG2 3.48Å; Q452-T456 PolarHBondContact O-N 3Å; Q452-T456 PolarHBondContact O-OG1 2.89Å; T453-T456 WeakPolarHBondContact CA-OG1 3.42Å; T453-T456 PolarHBondContact O-OG1 3.46Å; I454-T456 VanDerWaalsContact C-N 3.31Å; I454-T456 PolarHBondContact O-N 3.04Å; T456-A459 PolarHBondContact O-N 3.47Å; T456-S460 PolarHBondContact O-N 3.29Å |
| 457 | K | 70.2 | Confident | 64.2 | Low | 144 Ų | 144 | 82.2 Ų | 82.2 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.4 | -37.4 | 176 | -78.6 | -174.3 | 178.5 | -179.4 | 0 | 112.8 | T453 I454 S460 | T453-K457 PolarHBondContact O-N 3.39Å; T453-K457 VanDerWaalsContact O-N 3.15Å; I454-K457 PolarHBondContact O-N 3.4Å; K457-S460 PolarHBondContact O-OG 3.33Å |
| 458 | H | 64.9 | Low | 63.7 | Low | 35 Ų | 35 | 80.5 Ų | 80.5 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -81.2 | -24.6 | 178.5 | -72.8 | -75.1 | 0 | 0 | 0 | 113 | V397 F398 I454 S460 V461 Y462 | V397-H458 HydrophobicContact CG1-CB 4.22Å; F398-H458 AromaticContact CE1-CE1 3.8Å; F398-H458 AromaticContact CE1-NE2 3.66Å; F398-H458 AromaticContact CE2-CD2 3.83Å; F398-H458 AromaticContact CE2-NE2 3.72Å; F398-H458 AromaticContact CZ-CD2 3.73Å; F398-H458 AromaticContact CZ-CE1 3.71Å; F398-H458 AromaticContact CZ-NE2 3.15Å; F398-H458 WeakPolarHBondContact CZ-NE2 3.46Å; I454-H458 PolarHBondContact O-CD2 3.18Å; I454-H458 PolarHBondContact O-N 2.98Å; H458-S460 VanDerWaalsContact C-N 3.33Å; H458-S460 PolarHBondContact O-N 3.47Å; H458-V461 PolarHBondContact O-N 3.19Å; H458-Y462 PolarHBondContact O-N 2.92Å |
| 459 | A | 63.2 | Low | 63.3 | Low | 37 Ų | 37 | 73.7 Ų | 73.7 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | D455 T456 V461 Y462 V463 | D455-A459 VanDerWaalsContact O-CB 3.23Å; D455-A459 WeakPolarHBondContact O-CB 3.31Å; D455-A459 PolarHBondContact O-N 2.74Å; T456-A459 PolarHBondContact O-N 3.47Å; A459-V461 PolarHBondContact O-N 3.39Å; A459-Y462 PolarHBondContact O-N 3.17Å; A459-V463 WeakPolarHBondContact O-CG2 3.35Å; A459-V463 PolarHBondContact O-N 2.85Å |
| 460 | S | 64.2 | Low | 62.1 | Low | 73 Ų | 73 | 71.1 Ų | 71.1 | 51% | 0.51 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 179.4 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | T456 K457 H458 Y462 V463 S464 | T456-S460 PolarHBondContact O-N 3.29Å; K457-S460 PolarHBondContact O-OG 3.33Å; H458-S460 VanDerWaalsContact C-N 3.33Å; H458-S460 PolarHBondContact O-N 3.47Å; S460-Y462 PolarHBondContact O-N 3.19Å; S460-V463 PolarHBondContact O-N 3.45Å; S460-S464 PolarHBondContact O-N 3.13Å; S460-S464 PolarHBondContact O-OG 3.37Å; S460-S464 VanDerWaalsContact O-OG 3.13Å |
| 461 | V | 64.1 | Low | 61.3 | Low | 51 Ų | 51 | 72.1 Ų | 72.1 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | M401 H458 A459 S464 S465 | M401-V461 HydrophobicContact CE-CG1 3.48Å; M401-V461 VanDerWaalsContact CE-CG1 3.48Å; H458-V461 PolarHBondContact O-N 3.19Å; A459-V461 PolarHBondContact O-N 3.39Å; V461-S464 WeakPolarHBondContact CA-OG 3.38Å; V461-S464 PolarHBondContact O-OG 2.97Å; V461-S465 PolarHBondContact O-N 3.43Å; V461-S465 VanDerWaalsContact O-N 3.1Å; V461-S465 PolarHBondContact O-OG 2.71Å |
| 462 | Y | 60.8 | Low | 60.5 | Low | 95 Ų | 95 | 74.8 Ų | 74.8 | 37% | 0.373 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -79.1 | -29.8 | 179.5 | -168.7 | -84.4 | 0 | 0 | 0 | 112.3 | V397 H458 A459 S460 S465 N466 | V397-Y462 HydrophobicContact CG2-CD2 3.83Å; V397-Y462 HydrophobicContact CG2-CG 4.43Å; H458-Y462 PolarHBondContact O-N 2.92Å; A459-Y462 PolarHBondContact O-N 3.17Å; S460-Y462 PolarHBondContact O-N 3.19Å; Y462-S465 WeakPolarHBondContact CA-OG 3.44Å; Y462-S465 PolarHBondContact O-OG 3.19Å; Y462-N466 WeakPolarHBondContact CE1-ND2 2.86Å; Y462-N466 WeakPolarHBondContact O-CB 3.38Å; Y462-N466 PolarHBondContact O-N 2.73Å |
| 463 | V | 60.1 | Low | 59.7 | Low | 72 Ų | 72 | 72.8 Ų | 72.8 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 172.7 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | A459 S460 N466 L467 | A459-V463 WeakPolarHBondContact O-CG2 3.35Å; A459-V463 PolarHBondContact O-N 2.85Å; S460-V463 PolarHBondContact O-N 3.45Å; V463-N466 PolarHBondContact O-N 2.88Å; V463-L467 HydrophobicContact CG1-CD1 3.65Å; V463-L467 HydrophobicContact CG1-CG 4.35Å; V463-L467 WeakPolarHBondContact O-CB 3.38Å; V463-L467 WeakPolarHBondContact O-CD1 3.22Å; V463-L467 WeakPolarHBondContact O-CG 2.83Å; V463-L467 PolarHBondContact O-N 3.42Å |
| 464 | S | 57.5 | Low | 58.3 | Low | 65 Ų | 65 | 75.2 Ų | 75.2 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 175.2 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | S460 V461 T468 | S460-S464 PolarHBondContact O-N 3.13Å; S460-S464 PolarHBondContact O-OG 3.37Å; S460-S464 VanDerWaalsContact O-OG 3.13Å; V461-S464 WeakPolarHBondContact CA-OG 3.38Å; V461-S464 PolarHBondContact O-OG 2.97Å; S464-T468 WeakPolarHBondContact O-CG2 3.49Å; S464-T468 PolarHBondContact O-N 3.31Å; S464-T468 PolarHBondContact O-OG1 3.39Å |
| 465 | S | 54.7 | Low | 57.3 | Low | 50 Ų | 50 | 78.3 Ų | 78.3 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 173.2 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | V461 Y462 T468 A469 | V461-S465 PolarHBondContact O-N 3.43Å; V461-S465 VanDerWaalsContact O-N 3.1Å; V461-S465 PolarHBondContact O-OG 2.71Å; Y462-S465 WeakPolarHBondContact CA-OG 3.44Å; Y462-S465 PolarHBondContact O-OG 3.19Å; S465-T468 WeakPolarHBondContact CA-OG1 3.19Å; S465-T468 PolarHBondContact O-OG1 3.06Å; S465-T468 VanDerWaalsContact O-OG1 3.05Å; S465-A469 WeakPolarHBondContact O-CB 2.98Å; S465-A469 PolarHBondContact O-N 3.11Å; S465-A469 VanDerWaalsContact O-N 3.14Å |
| 466 | N | 53 | Low | 56.2 | Low | 70 Ų | 70 | 84.3 Ų | 84.3 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -81 | -31.5 | 178.3 | -78.2 | -0.5 | 0 | 0 | 0 | 113.3 | Y462 V463 A469 N470 | Y462-N466 WeakPolarHBondContact CE1-ND2 2.86Å; Y462-N466 WeakPolarHBondContact O-CB 3.38Å; Y462-N466 PolarHBondContact O-N 2.73Å; V463-N466 PolarHBondContact O-N 2.88Å; N466-A469 PolarHBondContact O-N 3.3Å; N466-N470 WeakPolarHBondContact O-CB 3.42Å; N466-N470 PolarHBondContact O-N 2.99Å |
| 467 | L | 53.2 | Low | 54.6 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 172.5 | -77.5 | 162.3 | 0 | 0 | 0 | 110.8 | V463 A469 N470 E471 | V463-L467 HydrophobicContact CG1-CD1 3.65Å; V463-L467 HydrophobicContact CG1-CG 4.35Å; V463-L467 WeakPolarHBondContact O-CB 3.38Å; V463-L467 WeakPolarHBondContact O-CD1 3.22Å; V463-L467 WeakPolarHBondContact O-CG 2.83Å; V463-L467 PolarHBondContact O-N 3.42Å; L467-A469 PolarHBondContact O-N 3.31Å; L467-N470 PolarHBondContact O-N 3.31Å; L467-E471 WeakPolarHBondContact O-CB 3.5Å; L467-E471 WeakPolarHBondContact O-CG 3.48Å; L467-E471 PolarHBondContact O-N 2.73Å |
| 468 | T | 52.8 | Low | 53.3 | Low | 89 Ų | 89 | 83 Ų | 83 | 55% | 0.546 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 175.9 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | S464 S465 S472 | S464-T468 WeakPolarHBondContact O-CG2 3.49Å; S464-T468 PolarHBondContact O-N 3.31Å; S464-T468 PolarHBondContact O-OG1 3.39Å; S465-T468 WeakPolarHBondContact CA-OG1 3.19Å; S465-T468 PolarHBondContact O-OG1 3.06Å; S465-T468 VanDerWaalsContact O-OG1 3.05Å; T468-S472 PolarHBondContact O-N 3.37Å; T468-S472 PolarHBondContact O-OG 3.28Å |
| 469 | A | 51.5 | Low | 52.1 | Low | 44 Ų | 44 | 84.7 Ų | 84.7 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75 | -33.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S465 N466 L467 S472 T473 | S465-A469 WeakPolarHBondContact O-CB 2.98Å; S465-A469 PolarHBondContact O-N 3.11Å; S465-A469 VanDerWaalsContact O-N 3.14Å; N466-A469 PolarHBondContact O-N 3.3Å; L467-A469 PolarHBondContact O-N 3.31Å; A469-S472 WeakPolarHBondContact CA-OG 3.48Å; A469-S472 PolarHBondContact O-OG 3.34Å; A469-T473 WeakPolarHBondContact O-CG2 3.45Å; A469-T473 PolarHBondContact O-N 3.16Å; A469-T473 PolarHBondContact O-OG1 3.42Å |
| 470 | N | 45.6 | Very low | 51 | Low | 101 Ų | 101 | 94.2 Ų | 94.2 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -79.7 | -27.9 | 177.4 | -83.7 | -9.9 | 0 | 0 | 0 | 113.2 | N466 L467 T473 N474 | N466-N470 WeakPolarHBondContact O-CB 3.42Å; N466-N470 PolarHBondContact O-N 2.99Å; L467-N470 PolarHBondContact O-N 3.31Å; N470-T473 WeakPolarHBondContact CA-OG1 3.4Å; N470-T473 PolarHBondContact O-OG1 2.66Å; N470-N474 VanDerWaalsContact O-CB 3.3Å; N470-N474 WeakPolarHBondContact O-CB 3.37Å; N470-N474 PolarHBondContact O-N 3.37Å; N470-N474 VanDerWaalsContact O-N 3.08Å; N470-N474 PolarHBondContact O-ND2 2.66Å; N470-N474 VanDerWaalsContact O-ND2 3.16Å |
| 471 | E | 50.7 | Low | 49.8 | Very low | 136 Ų | 136 | 98.2 Ų | 98.2 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.8 | -31.6 | 173.4 | -74.6 | 178.4 | 167.1 | 0 | 0 | 112.6 | L467 S475 | L467-E471 WeakPolarHBondContact O-CB 3.5Å; L467-E471 WeakPolarHBondContact O-CG 3.48Å; L467-E471 PolarHBondContact O-N 2.73Å; E471-S475 PolarHBondContact O-N 3.02Å; E471-S475 PolarHBondContact O-OG 3.18Å |
| 472 | S | 49.4 | Very low | 48.6 | Very low | 60 Ų | 60 | 102.2 Ų | 102.2 | 42% | 0.42 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -78 | -27 | 175 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | T468 A469 S475 | T468-S472 PolarHBondContact O-N 3.37Å; T468-S472 PolarHBondContact O-OG 3.28Å; A469-S472 WeakPolarHBondContact CA-OG 3.48Å; A469-S472 PolarHBondContact O-OG 3.34Å; S472-S475 PolarHBondContact O-OG 3.14Å |
| 473 | T | 48.8 | Very low | 47.5 | Very low | 85 Ų | 85 | 109.2 Ų | 109.2 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -82.7 | -31 | 172.7 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | A469 N470 G477 | A469-T473 WeakPolarHBondContact O-CG2 3.45Å; A469-T473 PolarHBondContact O-N 3.16Å; A469-T473 PolarHBondContact O-OG1 3.42Å; N470-T473 WeakPolarHBondContact CA-OG1 3.4Å; N470-T473 PolarHBondContact O-OG1 2.66Å; T473-G477 PolarHBondContact O-N 2.73Å |
| 474 | N | 46.1 | Very low | 46.5 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 66% | 0.658 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.3 | -22.4 | 175.4 | -78.4 | -32.3 | 0 | 0 | 0 | 114 | N470 | N470-N474 VanDerWaalsContact O-CB 3.3Å; N470-N474 WeakPolarHBondContact O-CB 3.37Å; N470-N474 PolarHBondContact O-N 3.37Å; N470-N474 VanDerWaalsContact O-N 3.08Å; N470-N474 PolarHBondContact O-ND2 2.66Å; N470-N474 VanDerWaalsContact O-ND2 3.16Å |
| 475 | S | 49.6 | Very low | 45.6 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -15.7 | 175.9 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | E471 S472 | E471-S475 PolarHBondContact O-N 3.02Å; E471-S475 PolarHBondContact O-OG 3.18Å; S472-S475 PolarHBondContact O-OG 3.14Å |
| 476 | L | 46.7 | Very low | 44.9 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -4.1 | 174 | -90.8 | 128.6 | 0 | 0 | 0 | 114.4 | ||
| 477 | G | 40.2 | Very low | 44.4 | Very low | 54 Ų | 54 | 139.7 Ų | 139.7 | 56% | 0.557 | 71% | 0.711 | S | S | * | * | trans | -99.2 | -5.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | T473 G479 | T473-G477 PolarHBondContact O-N 2.73Å; G477-G479 PolarHBondContact O-N 3.1Å | ||
| 478 | N | 41.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 27.2 | -166.7 | -140.4 | 7.8 | 0 | 0 | 0 | 115.4 | ||
| 479 | G | 40.3 | Very low | 43.1 | Very low | 71 Ų | 71 | 149 Ų | 149 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -0.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G477 | G477-G479 PolarHBondContact O-N 3.1Š|
| 480 | R | 40.5 | Very low | 42.8 | Very low | 237 Ų | 237 | 160.5 Ų | 160.5 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | -143.2 | 76.9 | -178.7 | -75.7 | -175.3 | 179.8 | 164.7 | 0.5 | 112.4 | ||||
| 481 | N | 38.3 | Very low | 42.6 | Very low | 156 Ų | 156 | 163.5 Ų | 163.5 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -134.9 | 65 | 174.8 | -121 | -9.3 | 0 | 0 | 0 | 111.8 | ||||
| 482 | T | 39.3 | Very low | 42.2 | Very low | 135 Ų | 135 | 164.9 Ų | 164.9 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -156.7 | 86.8 | 162.8 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 483 | R | 37.7 | Very low | 41.8 | Very low | 242 Ų | 242 | 170.8 Ų | 170.8 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 160 | 94.1 | 150.8 | -93.8 | 169 | 177.5 | -170.7 | 0.4 | 109.7 | ||
| 484 | Q | 39.9 | Very low | 41.4 | Very low | 201 Ų | 201 | 175.8 Ų | 175.8 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | trans | 154.5 | 69.2 | 148.9 | -87.8 | 166.8 | -21.2 | 0 | 0 | 110.2 | ||||
| 485 | R | 36.8 | Very low | 41.1 | Very low | 248 Ų | 248 | 179.1 Ų | 179.1 | 94% | 0.936 | 86% | 0.863 | S | S | * | * | trans | -133.2 | 92.9 | 154.9 | -91 | -171.1 | 172.6 | -172.2 | -1 | 107.1 | ||||
| 486 | R | 39.9 | Very low | 40.6 | Very low | 241 Ų | 241 | 185.1 Ų | 185.1 | 91% | 0.909 | 88% | 0.879 | S | S | * | * | trans | -177 | 130.5 | 160.6 | -103.4 | 168.3 | -173.3 | -165.2 | 2.1 | 107.9 | ||||
| 487 | K | 43.6 | Very low | 40.1 | Very low | 208 Ų | 208 | 187 Ų | 187 | 90% | 0.904 | 88% | 0.882 | S | S | * | * | trans | 87.9 | 115.7 | -170.5 | -56.8 | 177.3 | 177.2 | -176.3 | 0 | 111.4 | ||||
| 488 | C | 39.9 | Very low | 40.1 | Very low | 129 Ų | 129 | 197.2 Ų | 197.2 | 87% | 0.872 | 91% | 0.907 | S | S | * | * | cis | -138.7 | 128.5 | 22.9 | -76.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 489 | R | 39.6 | Very low | 40 | Very low | 256 Ų | 256 | 200.8 Ų | 200.8 | 97% | 0.966 | 91% | 0.914 | S | S | * | * | trans | -136.6 | 103.7 | 152 | -121 | -173.8 | -176.9 | -175.3 | 1.1 | 104.9 | ||||
| 490 | K | 44 | Very low | 40 | Very low | 285 Ų | 285 | 212.5 Ų | 212.5 | 100% | 1.239 | 93% | 0.931 | S | S | * | * | trans | -151.4 | 0 | 153.7 | -104.8 | -164.6 | 178.5 | -173 | 0 | 106.1 |
Retrieved 490 of 490 residues in 252.4 ms
(Link to these results)