| 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 | 46.1 | Very low | 60.1 | Low | 234 Ų | 234 | 120.9 Ų | 120.9 | 100% | 1.153 | 63% | 0.63 | S | S | * | * | 0 | 76.9 | 0 | -82.2 | 176.5 | -179.4 | 0 | 0 | 106.2 | L3 | M1-L3 PolarHBondContact O-N 3.33Š| |||
| 2 | D | 49.4 | Very low | 60.9 | Low | 158 Ų | 158 | 117.9 Ų | 117.9 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | trans | -91.9 | 89.9 | 176 | -60.2 | -45.3 | 0 | 0 | 0 | 106.6 | N4 | D2-N4 PolarHBondContact O-N 3.29Å; D2-N4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | L | 55.3 | Low | 61.5 | Low | 157 Ų | 157 | 115.3 Ų | 115.3 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | trans | -58.8 | 112.6 | 164.4 | -93.4 | 148 | 0 | 0 | 0 | 106.5 | M1 F5 | M1-L3 PolarHBondContact O-N 3.33Å; L3-F5 PolarHBondContact O-N 3.01Å | ||
| 4 | N | 53.8 | Low | 62.3 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | trans | -45.6 | 107.9 | -176.1 | -98 | -26.2 | 0 | 0 | 0 | 111.2 | D2 S6 T7 V8 | D2-N4 PolarHBondContact O-N 3.29Å; D2-N4 VanDerWaalsContact O-N 3.08Å; N4-S6 PolarHBondContact O-N 3.15Å; N4-S6 VanDerWaalsContact O-N 3.14Å; N4-T7 WeakPolarHBondContact CB-OG1 3.48Å; N4-T7 WeakPolarHBondContact O-CB 3.37Å; N4-T7 PolarHBondContact O-N 3.15Å; N4-V8 PolarHBondContact O-N 3.06Å | ||
| 5 | F | 59 | Low | 63.1 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -55 | -29.9 | 175.2 | -178.3 | -99.3 | 0 | 0 | 0 | 112.3 | L3 R9 | L3-F5 PolarHBondContact O-N 3.01Å; F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.45Å; F5-R9 PolarHBondContact O-N 3.45Å |
| 6 | S | 63.8 | Low | 63.8 | Low | 67 Ų | 67 | 114.2 Ų | 114.2 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63 | -43.1 | 171.3 | 34.5 | 0 | 0 | 0 | 0 | 113 | N4 R9 D10 | N4-S6 PolarHBondContact O-N 3.15Å; N4-S6 VanDerWaalsContact O-N 3.14Å; S6-R9 PolarHBondContact O-N 3.19Å; S6-D10 WeakPolarHBondContact O-CB 3.44Å; S6-D10 PolarHBondContact O-N 3.31Å |
| 7 | T | 65.6 | Low | 64.4 | Low | 79 Ų | 79 | 115.8 Ų | 115.8 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.3 | -35.8 | -179.8 | -41.5 | 0 | 0 | 0 | 0 | 112 | N4 S11 | N4-T7 WeakPolarHBondContact CB-OG1 3.48Å; N4-T7 WeakPolarHBondContact O-CB 3.37Å; N4-T7 PolarHBondContact O-N 3.15Å; T7-S11 WeakPolarHBondContact O-CB 3.08Å; T7-S11 PolarHBondContact O-N 3.44Å; T7-S11 PolarHBondContact O-OG 3Å |
| 8 | V | 67.9 | Low | 65.2 | Low | 71 Ų | 71 | 112.9 Ų | 112.9 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -46.9 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | N4 D10 S11 D12 | N4-V8 PolarHBondContact O-N 3.06Å; V8-D10 PolarHBondContact O-N 3.22Å; V8-S11 WeakPolarHBondContact O-CB 3.49Å; V8-S11 PolarHBondContact O-N 2.89Å; V8-S11 VanDerWaalsContact O-N 3.14Å; V8-D12 PolarHBondContact O-N 2.98Å |
| 9 | R | 64.2 | Low | 66.1 | Low | 150 Ų | 150 | 110.6 Ų | 110.6 | 57% | 0.566 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64 | -37.9 | 179 | -155.8 | 177.8 | -152.2 | 168.8 | 6.8 | 112.9 | F5 S6 S11 N13 | F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.45Å; F5-R9 PolarHBondContact O-N 3.45Å; S6-R9 PolarHBondContact O-N 3.19Å; R9-S11 VanDerWaalsContact C-N 3.35Å; R9-N13 VanDerWaalsContact O-CB 3.29Å; R9-N13 WeakPolarHBondContact O-CB 3.39Å; R9-N13 PolarHBondContact O-N 2.99Å; R9-N13 PolarHBondContact O-ND2 2.98Å |
| 10 | D | 67.9 | Low | 67.1 | Low | 101 Ų | 101 | 109 Ų | 109 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.9 | -35.6 | 174.4 | -77.1 | -23 | 0 | 0 | 0 | 112.1 | S6 V8 L14 | S6-D10 WeakPolarHBondContact O-CB 3.44Å; S6-D10 PolarHBondContact O-N 3.31Å; V8-D10 PolarHBondContact O-N 3.22Å; D10-L14 VanDerWaalsContact O-CB 3.3Å; D10-L14 WeakPolarHBondContact O-CB 3.31Å; D10-L14 WeakPolarHBondContact O-CD1 3.4Å; D10-L14 WeakPolarHBondContact O-CG 3.32Å; D10-L14 PolarHBondContact O-N 3.33Å |
| 11 | S | 68.3 | Low | 68 | Low | 57 Ų | 57 | 108.6 Ų | 108.6 | 40% | 0.399 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.4 | -43.5 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | T7 V8 R9 L14 L15 | T7-S11 WeakPolarHBondContact O-CB 3.08Å; T7-S11 PolarHBondContact O-N 3.44Å; T7-S11 PolarHBondContact O-OG 3Å; V8-S11 WeakPolarHBondContact O-CB 3.49Å; V8-S11 PolarHBondContact O-N 2.89Å; V8-S11 VanDerWaalsContact O-N 3.14Å; R9-S11 VanDerWaalsContact C-N 3.35Å; S11-L14 WeakPolarHBondContact O-CB 3.33Å; S11-L14 PolarHBondContact O-N 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.23Å; S11-L15 VanDerWaalsContact O-CG 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.39Å |
| 12 | D | 69.2 | Low | 70 | Confident | 85 Ų | 85 | 103.3 Ų | 103.3 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.6 | -68.3 | -23.7 | 0 | 0 | 0 | 111.1 | V8 L14 L15 E16 | V8-D12 PolarHBondContact O-N 2.98Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.16Å; D12-L15 PolarHBondContact O-N 3.1Å; D12-E16 WeakPolarHBondContact O-CB 3.29Å; D12-E16 WeakPolarHBondContact O-CG 3.5Å; D12-E16 PolarHBondContact O-N 3.24Å |
| 13 | N | 69.4 | Low | 71.9 | Confident | 84 Ų | 84 | 100.5 Ų | 100.5 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 175.1 | -73.3 | -33.1 | 0 | 0 | 0 | 112.4 | R9 R17 | R9-N13 VanDerWaalsContact O-CB 3.29Å; R9-N13 WeakPolarHBondContact O-CB 3.39Å; R9-N13 PolarHBondContact O-N 2.99Å; R9-N13 PolarHBondContact O-ND2 2.98Å; N13-R17 WeakPolarHBondContact O-CB 3.41Å; N13-R17 PolarHBondContact O-N 3.36Å |
| 14 | L | 72.4 | Confident | 73.6 | Confident | 80 Ų | 80 | 99.1 Ų | 99.1 | 42% | 0.419 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 174.9 | -92 | 158.1 | 0 | 0 | 0 | 111.5 | D10 S11 D12 R17 D18 | D10-L14 VanDerWaalsContact O-CB 3.3Å; D10-L14 WeakPolarHBondContact O-CB 3.31Å; D10-L14 WeakPolarHBondContact O-CD1 3.4Å; D10-L14 WeakPolarHBondContact O-CG 3.32Å; D10-L14 PolarHBondContact O-N 3.33Å; S11-L14 WeakPolarHBondContact O-CB 3.33Å; S11-L14 PolarHBondContact O-N 3.28Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.16Å; L14-R17 VanDerWaalsContact CD2-NH2 3.31Å; L14-R17 PolarHBondContact O-N 3Å; L14-D18 WeakPolarHBondContact O-CB 3.11Å; L14-D18 PolarHBondContact O-N 3.11Å |
| 15 | L | 73.9 | Confident | 75.3 | Confident | 115 Ų | 115 | 95.8 Ų | 95.8 | 60% | 0.602 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 177.7 | -71.8 | 170 | 0 | 0 | 0 | 112.2 | S11 D12 S19 | S11-L15 WeakPolarHBondContact O-CB 3.23Å; S11-L15 VanDerWaalsContact O-CG 3.3Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.39Å; D12-L15 PolarHBondContact O-N 3.1Å; L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 2.95Å |
| 16 | E | 74.4 | Confident | 76.8 | Confident | 133 Ų | 133 | 89.3 Ų | 89.3 | 62% | 0.621 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.9 | -41.2 | 174.5 | -77.8 | -163.4 | 154.8 | 0 | 0 | 112 | D12 S19 S20 | D12-E16 WeakPolarHBondContact O-CB 3.29Å; D12-E16 WeakPolarHBondContact O-CG 3.5Å; D12-E16 PolarHBondContact O-N 3.24Å; E16-S19 PolarHBondContact O-N 3.31Å; E16-S20 WeakPolarHBondContact O-CB 3.26Å; E16-S20 PolarHBondContact O-N 3.48Å; E16-S20 PolarHBondContact O-OG 3.33Å |
| 17 | R | 73.4 | Confident | 78.2 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 53% | 0.532 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.3 | -176.8 | 174.3 | 71.2 | 167.6 | -0.4 | 111.5 | N13 L14 S20 K21 | N13-R17 WeakPolarHBondContact O-CB 3.41Å; N13-R17 PolarHBondContact O-N 3.36Å; L14-R17 VanDerWaalsContact CD2-NH2 3.31Å; L14-R17 PolarHBondContact O-N 3Å; R17-S20 PolarHBondContact O-N 3.43Å; R17-K21 VanDerWaalsContact O-CG 3.25Å; R17-K21 WeakPolarHBondContact O-CG 3.45Å; R17-K21 PolarHBondContact O-N 3.43Å |
| 18 | D | 78.9 | Confident | 79.5 | Confident | 65 Ų | 65 | 91 Ų | 91 | 35% | 0.348 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.5 | -33.3 | 179.3 | -72.3 | -13.9 | 0 | 0 | 0 | 112 | L14 K21 R22 | L14-D18 WeakPolarHBondContact O-CB 3.11Å; L14-D18 PolarHBondContact O-N 3.11Å; D18-K21 IonicContact OD1-NZ 3.69Å; D18-K21 PolarHBondContact OD1-NZ 2.73Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.49Å; D18-R22 PolarHBondContact O-N 2.85Å |
| 19 | S | 82.6 | Confident | 80.7 | Confident | 68 Ų | 68 | 87.8 Ų | 87.8 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 170.6 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | L15 E16 K21 R22 V23 | L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 2.95Å; E16-S19 PolarHBondContact O-N 3.31Å; S19-K21 PolarHBondContact O-N 3.08Å; S19-R22 PolarHBondContact O-N 3.47Å; S19-V23 WeakPolarHBondContact O-CG2 3.42Å; S19-V23 PolarHBondContact O-N 3Å |
| 20 | S | 86.6 | Confident | 82.1 | Confident | 79 Ų | 79 | 87.1 Ų | 87.1 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 178.2 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | E16 R17 V23 L24 | E16-S20 WeakPolarHBondContact O-CB 3.26Å; E16-S20 PolarHBondContact O-N 3.48Å; E16-S20 PolarHBondContact O-OG 3.33Å; R17-S20 PolarHBondContact O-N 3.43Å; S20-V23 PolarHBondContact O-N 3Å; S20-L24 WeakPolarHBondContact O-CB 3.38Å; S20-L24 PolarHBondContact O-N 2.86Å |
| 21 | K | 86.1 | Confident | 83.4 | Confident | 101 Ų | 101 | 84.6 Ų | 84.6 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 173.6 | -73.1 | 169.6 | -171.4 | 160.7 | 0 | 111.6 | R17 D18 S19 V23 L24 T25 | R17-K21 VanDerWaalsContact O-CG 3.25Å; R17-K21 WeakPolarHBondContact O-CG 3.45Å; R17-K21 PolarHBondContact O-N 3.43Å; D18-K21 IonicContact OD1-NZ 3.69Å; D18-K21 PolarHBondContact OD1-NZ 2.73Å; S19-K21 PolarHBondContact O-N 3.08Å; K21-V23 VanDerWaalsContact C-N 3.35Å; K21-V23 PolarHBondContact O-N 2.78Å; K21-L24 PolarHBondContact O-N 3.43Å; K21-T25 WeakPolarHBondContact O-CB 3.42Å; K21-T25 PolarHBondContact O-N 3.24Å; K21-T25 PolarHBondContact O-OG1 3.05Å; K21-T25 VanDerWaalsContact O-OG1 3.05Å |
| 22 | R | 87.4 | Confident | 84.7 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 46% | 0.464 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 179.3 | -73.8 | 173.4 | -176.5 | -166.8 | 1.8 | 112.1 | D18 S19 G26 | D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 3.49Å; D18-R22 PolarHBondContact O-N 2.85Å; S19-R22 PolarHBondContact O-N 3.47Å; R22-G26 PolarHBondContact O-N 3.25Å |
| 23 | V | 89.2 | Confident | 85.9 | Confident | 99 Ų | 99 | 79.4 Ų | 79.4 | 60% | 0.6 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | S19 S20 K21 G26 C27 | S19-V23 WeakPolarHBondContact O-CG2 3.42Å; S19-V23 PolarHBondContact O-N 3Å; S20-V23 PolarHBondContact O-N 3Å; K21-V23 VanDerWaalsContact C-N 3.35Å; K21-V23 PolarHBondContact O-N 2.78Å; V23-G26 PolarHBondContact O-N 2.94Å; V23-C27 WeakPolarHBondContact O-CB 3.21Å; V23-C27 PolarHBondContact O-N 3.28Å; V23-C27 PolarHBondContact O-SG 3.05Å; V23-C27 VanDerWaalsContact O-SG 3.34Å |
| 24 | L | 90.9 | Very high | 87.2 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 67% | 0.67 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.7 | -46 | 178.6 | -176.5 | 63.8 | 0 | 0 | 0 | 111.9 | S20 K21 C27 F28 | S20-L24 WeakPolarHBondContact O-CB 3.38Å; S20-L24 PolarHBondContact O-N 2.86Å; K21-L24 PolarHBondContact O-N 3.43Å; L24-C27 PolarHBondContact O-N 3.4Å; L24-F28 WeakPolarHBondContact O-CB 3.31Å; L24-F28 PolarHBondContact O-N 3.25Å |
| 25 | T | 89.4 | Confident | 88.3 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 20% | 0.202 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 175.2 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | K21 C27 F28 L29 E84 W312 | K21-T25 WeakPolarHBondContact O-CB 3.42Å; K21-T25 PolarHBondContact O-N 3.24Å; K21-T25 PolarHBondContact O-OG1 3.05Å; K21-T25 VanDerWaalsContact O-OG1 3.05Å; T25-C27 PolarHBondContact O-N 3.49Å; T25-F28 PolarHBondContact O-N 3.08Å; T25-L29 HydrophobicContact CG2-CD1 3.84Å; T25-L29 HydrophobicContact CG2-CG 4.26Å; T25-L29 WeakPolarHBondContact O-CB 3.19Å; T25-L29 WeakPolarHBondContact O-CG 3.34Å; T25-L29 PolarHBondContact O-N 2.91Å; T25-E84 HydrophobicContact CG2-CB 4.48Å; T25-W312 HydrophobicContact CG2-CH2 3.37Å; T25-W312 HydrophobicContact CG2-CZ2 3.73Å; T25-W312 HydrophobicContact CG2-CZ3 4.09Å |
| 26 | G | 91.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R22 V23 L29 F30 | R22-G26 PolarHBondContact O-N 3.25Å; V23-G26 PolarHBondContact O-N 2.94Å; G26-L29 PolarHBondContact O-N 3.13Å; G26-F30 VanDerWaalsContact O-CB 3.25Å; G26-F30 WeakPolarHBondContact O-CB 3.3Å; G26-F30 PolarHBondContact O-N 3.04Å |
| 27 | C | 92.8 | Very high | 90.4 | Very high | 77 Ų | 77 | 69.3 Ų | 69.3 | 52% | 0.52 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | V23 L24 T25 A31 | V23-C27 WeakPolarHBondContact O-CB 3.21Å; V23-C27 PolarHBondContact O-N 3.28Å; V23-C27 PolarHBondContact O-SG 3.05Å; V23-C27 VanDerWaalsContact O-SG 3.34Å; L24-C27 PolarHBondContact O-N 3.4Å; T25-C27 PolarHBondContact O-N 3.49Å; C27-A31 WeakPolarHBondContact O-CB 3.27Å; C27-A31 PolarHBondContact O-N 3.47Å |
| 28 | F | 93.2 | Very high | 91.5 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 46% | 0.456 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 178 | 172.2 | -101.5 | 0 | 0 | 0 | 111.8 | L24 T25 F30 A31 L32 W312 | L24-F28 WeakPolarHBondContact O-CB 3.31Å; L24-F28 PolarHBondContact O-N 3.25Å; T25-F28 PolarHBondContact O-N 3.08Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F28-F30 PolarHBondContact O-N 3.47Å; F28-A31 PolarHBondContact O-N 3.06Å; F28-L32 HydrophobicContact CE1-CD1 4.02Å; F28-L32 HydrophobicContact CZ-CD1 4Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 2.76Å; F28-W312 HydrophobicContact CD1-CE3 4.23Å; F28-W312 HydrophobicContact CE1-CB 4.21Å; F28-W312 HydrophobicContact CE1-CE3 4.05Å |
| 29 | L | 92.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 179.2 | -68.8 | 178.1 | 0 | 0 | 0 | 111.7 | T25 G26 A31 L32 I33 A81 E84 W312 W315 | T25-L29 HydrophobicContact CG2-CD1 3.84Å; T25-L29 HydrophobicContact CG2-CG 4.26Å; T25-L29 WeakPolarHBondContact O-CB 3.19Å; T25-L29 WeakPolarHBondContact O-CG 3.34Å; T25-L29 PolarHBondContact O-N 2.91Å; G26-L29 PolarHBondContact O-N 3.13Å; L29-A31 PolarHBondContact O-N 3.12Å; L29-L32 PolarHBondContact O-N 2.76Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.46Å; L29-A81 HydrophobicContact CB-CB 4.07Å; L29-A81 HydrophobicContact CD1-CB 3.78Å; L29-E84 HydrophobicContact CD1-CB 4.3Å; L29-E84 HydrophobicContact CD1-CG 4.25Å; L29-W312 HydrophobicContact CD1-CZ2 4.38Å; L29-W312 HydrophobicContact CD2-CD2 3.91Å; L29-W312 HydrophobicContact CD2-CG 3.84Å; L29-W315 HydrophobicContact CD2-CE3 4.49Å; L29-W315 HydrophobicContact CD2-CZ3 4.19Å |
| 30 | F | 94.6 | Very high | 93 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 174.5 | -179.6 | -100.6 | 0 | 0 | 0 | 112 | G26 F28 L32 I33 L34 | G26-F30 VanDerWaalsContact O-CB 3.25Å; G26-F30 WeakPolarHBondContact O-CB 3.3Å; G26-F30 PolarHBondContact O-N 3.04Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F28-F30 PolarHBondContact O-N 3.47Å; F30-L32 VanDerWaalsContact C-N 3.32Å; F30-L32 PolarHBondContact O-N 3.48Å; F30-I33 PolarHBondContact O-N 3.2Å; F30-L34 HydrophobicContact CE1-CD2 4.46Å; F30-L34 WeakPolarHBondContact O-CB 3.32Å; F30-L34 PolarHBondContact O-N 3.27Å |
| 31 | A | 94.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C27 F28 L29 L34 T35 | C27-A31 WeakPolarHBondContact O-CB 3.27Å; C27-A31 PolarHBondContact O-N 3.47Å; F28-A31 PolarHBondContact O-N 3.06Å; L29-A31 PolarHBondContact O-N 3.12Å; A31-L34 PolarHBondContact O-N 2.93Å; A31-T35 WeakPolarHBondContact O-CB 3.32Å; A31-T35 VanDerWaalsContact O-CG2 3.27Å; A31-T35 WeakPolarHBondContact O-CG2 3.45Å; A31-T35 PolarHBondContact O-N 3.36Å; A31-T35 PolarHBondContact O-OG1 3.07Å |
| 32 | L | 94.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.5 | -162.3 | 159.7 | 0 | 0 | 0 | 111.2 | F28 L29 F30 T35 T36 M77 W315 A316 | F28-L32 HydrophobicContact CE1-CD1 4.02Å; F28-L32 HydrophobicContact CZ-CD1 4Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 2.76Å; L29-L32 PolarHBondContact O-N 2.76Å; F30-L32 VanDerWaalsContact C-N 3.32Å; F30-L32 PolarHBondContact O-N 3.48Å; L32-T35 PolarHBondContact O-OG1 2.98Å; L32-T36 WeakPolarHBondContact O-CB 3.49Å; L32-T36 PolarHBondContact O-N 3.38Å; L32-T36 PolarHBondContact O-OG1 2.67Å; L32-M77 HydrophobicContact CD2-CE 3.63Å; L32-M77 HydrophobicContact CD2-SD 3.46Å; L32-M77 WeakPolarHBondContact CD2-SD 3.48Å; L32-W315 HydrophobicContact CD2-CB 4.03Å; L32-A316 HydrophobicContact CD1-CB 4.32Å |
| 33 | I | 96.1 | Very high | 94.3 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 175.6 | -68.3 | 164.6 | 0 | 0 | 0 | 110.5 | L29 F30 T35 T36 L37 M77 P78 A81 | L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.46Å; F30-I33 PolarHBondContact O-N 3.2Å; I33-T35 PolarHBondContact O-N 3.39Å; I33-T36 PolarHBondContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 3.81Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.46Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.98Å; I33-M77 HydrophobicContact CD1-CB 3.86Å; I33-M77 HydrophobicContact CG1-CB 3.53Å; I33-M77 HydrophobicContact CG1-CG 4.32Å; I33-M77 HydrophobicContact CG1-SD 3.82Å; I33-P78 HydrophobicContact CD1-CG 4.42Å; I33-A81 HydrophobicContact CD1-CB 4.42Å |
| 34 | L | 96.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | -176.4 | -175.4 | 68.2 | 0 | 0 | 0 | 111.8 | F30 A31 T36 L37 L38 | F30-L34 HydrophobicContact CE1-CD2 4.46Å; F30-L34 WeakPolarHBondContact O-CB 3.32Å; F30-L34 PolarHBondContact O-N 3.27Å; A31-L34 PolarHBondContact O-N 2.93Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-T36 PolarHBondContact O-N 3.24Å; L34-L37 PolarHBondContact O-N 3.02Å; L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.15Å; L34-L38 HydrophobicContact CD2-CD1 4.43Å; L34-L38 HydrophobicContact CG-CD1 3.82Å; L34-L38 HydrophobicContact CG-CG 4.35Å; L34-L38 WeakPolarHBondContact O-CB 3.24Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 2.95Å |
| 35 | T | 94.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | A31 L32 I33 G39 | A31-T35 WeakPolarHBondContact O-CB 3.32Å; A31-T35 VanDerWaalsContact O-CG2 3.27Å; A31-T35 WeakPolarHBondContact O-CG2 3.45Å; A31-T35 PolarHBondContact O-N 3.36Å; A31-T35 PolarHBondContact O-OG1 3.07Å; L32-T35 PolarHBondContact O-OG1 2.98Å; I33-T35 PolarHBondContact O-N 3.39Å; T35-G39 WeakPolarHBondContact O-CA 3.19Å; T35-G39 PolarHBondContact O-N 3.29Å |
| 36 | T | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 175.7 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | L32 I33 L34 N40 A73 M77 S319 | L32-T36 WeakPolarHBondContact O-CB 3.49Å; L32-T36 PolarHBondContact O-N 3.38Å; L32-T36 PolarHBondContact O-OG1 2.67Å; I33-T36 PolarHBondContact O-N 3.15Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-T36 PolarHBondContact O-N 3.24Å; T36-N40 WeakPolarHBondContact O-CB 3.5Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.32Å; T36-A73 HydrophobicContact CG2-CB 3.76Å; T36-M77 HydrophobicContact CG2-CE 4.23Å; T36-S319 VanDerWaalsContact OG1-CB 3.32Å; T36-S319 WeakPolarHBondContact OG1-CB 3.35Å |
| 37 | L | 97.3 | Very high | 95.3 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -54.2 | 178.1 | -73.5 | 173.9 | 0 | 0 | 0 | 111.9 | I33 L34 T41 L70 A73 I74 | I33-L37 HydrophobicContact CG2-CD1 3.81Å; I33-L37 HydrophobicContact CG2-CG 4.33Å; I33-L37 WeakPolarHBondContact O-CB 3.46Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.98Å; L34-L37 PolarHBondContact O-N 3.02Å; L37-T41 WeakPolarHBondContact O-CB 3.45Å; L37-T41 PolarHBondContact O-N 3.13Å; L37-T41 PolarHBondContact O-OG1 2.94Å; L37-L70 HydrophobicContact CD2-CD2 4.02Å; L37-A73 HydrophobicContact CD2-CB 3.76Å; L37-A73 HydrophobicContact CG-CB 3.91Å; L37-I74 HydrophobicContact CD2-CD1 4.19Å; L37-I74 HydrophobicContact CD2-CG1 3.67Å |
| 38 | L | 96.2 | Very high | 95.3 | Very high | 112 Ų | 112 | 44 Ų | 44 | 59% | 0.586 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.4 | -45.4 | -177 | -68.4 | 177.3 | 0 | 0 | 0 | 111.2 | L34 L42 | L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.15Å; L34-L38 HydrophobicContact CD2-CD1 4.43Å; L34-L38 HydrophobicContact CG-CD1 3.82Å; L34-L38 HydrophobicContact CG-CG 4.35Å; L34-L38 WeakPolarHBondContact O-CB 3.24Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.44Å; L34-L38 PolarHBondContact O-N 2.95Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 PolarHBondContact O-N 2.68Å |
| 39 | G | 95.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -49.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | T35 L42 V43 | T35-G39 WeakPolarHBondContact O-CA 3.19Å; T35-G39 PolarHBondContact O-N 3.29Å; G39-L42 WeakPolarHBondContact O-CB 3.4Å; G39-L42 PolarHBondContact O-N 2.9Å; G39-V43 WeakPolarHBondContact O-CG2 3.27Å; G39-V43 PolarHBondContact O-N 3.3Å |
| 40 | N | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.9 | -30.7 | -178.6 | -71.1 | -66.9 | 0 | 0 | 0 | 112.5 | T36 L42 V43 C44 A66 L70 S318 | T36-N40 WeakPolarHBondContact O-CB 3.5Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.32Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-V43 PolarHBondContact O-N 2.9Å; N40-C44 PolarHBondContact O-N 2.99Å; N40-C44 PolarHBondContact O-SG 3.15Å; N40-A66 HydrophobicContact CB-CB 4.16Å; N40-L70 HydrophobicContact CB-CD1 4.43Å; N40-L70 HydrophobicContact CB-CD2 3.86Å; N40-L70 HydrophobicContact CB-CG 3.75Å; N40-S318 PolarHBondContact ND2-O 2.57Å |
| 41 | T | 96.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 168.9 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | L37 V43 C44 V45 | L37-T41 WeakPolarHBondContact O-CB 3.45Å; L37-T41 PolarHBondContact O-N 3.13Å; L37-T41 PolarHBondContact O-OG1 2.94Å; T41-V43 VanDerWaalsContact C-N 3.32Å; T41-V43 PolarHBondContact O-N 3.21Å; T41-C44 PolarHBondContact O-N 3.05Å; T41-V45 HydrophobicContact CG2-CG2 4.27Å; T41-V45 WeakPolarHBondContact O-CB 3.25Å; T41-V45 VanDerWaalsContact O-CG2 3.32Å; T41-V45 WeakPolarHBondContact O-CG2 3.43Å; T41-V45 PolarHBondContact O-N 3.29Å |
| 42 | L | 95.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 52 Ų | 52 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | 176.7 | -176.2 | 68.7 | 0 | 0 | 0 | 111.8 | L38 G39 N40 V45 A46 F335 L338 L339 | L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 PolarHBondContact O-N 2.68Å; G39-L42 WeakPolarHBondContact O-CB 3.4Å; G39-L42 PolarHBondContact O-N 2.9Å; N40-L42 VanDerWaalsContact C-N 3.34Å; L42-V45 PolarHBondContact O-N 3.48Å; L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.43Å; L42-A46 PolarHBondContact O-N 3.41Å; L42-F335 HydrophobicContact CD1-CD1 4.3Å; L42-F335 HydrophobicContact CD2-CB 4.11Å; L42-F335 HydrophobicContact CD2-CD1 3.71Å; L42-F335 HydrophobicContact CD2-CD2 4.36Å; L42-F335 HydrophobicContact CD2-CE1 4.18Å; L42-F335 HydrophobicContact CD2-CG 3.82Å; L42-F335 HydrophobicContact CG-CD1 3.61Å; L42-F335 HydrophobicContact CG-CE1 3.89Å; L42-F335 HydrophobicContact CG-CG 4.25Å; L42-L338 HydrophobicContact CD1-CB 3.7Å; L42-L338 HydrophobicContact CD1-CD1 3.71Å; L42-L338 HydrophobicContact CD1-CG 4.35Å; L42-L339 HydrophobicContact CD1-CG 4.49Å; L42-L339 HydrophobicContact CD2-CD1 4.13Å; L42-L339 HydrophobicContact CD2-CD2 4.43Å; L42-L339 HydrophobicContact CD2-CG 4.3Å |
| 43 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 173.6 | 173 | 0 | 0 | 0 | 0 | 110.8 | G39 N40 T41 V45 A46 V47 V62 A66 P322 Y325 F331 F335 | G39-V43 WeakPolarHBondContact O-CG2 3.27Å; G39-V43 PolarHBondContact O-N 3.3Å; N40-V43 PolarHBondContact O-N 2.9Å; T41-V43 VanDerWaalsContact C-N 3.32Å; T41-V43 PolarHBondContact O-N 3.21Å; V43-V45 PolarHBondContact O-N 2.97Å; V43-A46 PolarHBondContact O-N 3.35Å; V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.43Å; V43-V62 HydrophobicContact CG1-CG1 3.61Å; V43-A66 HydrophobicContact CB-CB 4.26Å; V43-A66 HydrophobicContact CG1-CB 3.96Å; V43-P322 HydrophobicContact CG2-CB 4.02Å; V43-P322 HydrophobicContact CG2-CG 4.18Å; V43-Y325 HydrophobicContact CG1-CD2 4.26Å; V43-Y325 HydrophobicContact CG1-CE2 4.38Å; V43-Y325 HydrophobicContact CG2-CD2 3.82Å; V43-Y325 HydrophobicContact CG2-CE2 4.44Å; V43-F331 HydrophobicContact CG1-CE1 4.47Å; V43-F335 HydrophobicContact CG2-CE1 4.4Å; V43-F335 HydrophobicContact CG2-CZ 3.86Å |
| 44 | C | 96.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 57 Ų | 57 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 178 | -72.6 | 0 | 0 | 0 | 0 | 112 | N40 T41 A46 V47 T48 | N40-C44 PolarHBondContact O-N 2.99Å; N40-C44 PolarHBondContact O-SG 3.15Å; T41-C44 PolarHBondContact O-N 3.05Å; C44-A46 PolarHBondContact O-N 3.4Å; C44-V47 PolarHBondContact O-N 3.1Å; C44-T48 WeakPolarHBondContact O-CB 3.28Å; C44-T48 VanDerWaalsContact O-CG2 3.26Å; C44-T48 WeakPolarHBondContact O-CG2 3.4Å; C44-T48 PolarHBondContact O-N 3.05Å; C44-T48 PolarHBondContact O-OG1 3.44Å |
| 45 | V | 95.7 | Very high | 94 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.4 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | T41 L42 V43 T48 K49 L338 | T41-V45 HydrophobicContact CG2-CG2 4.27Å; T41-V45 WeakPolarHBondContact O-CB 3.25Å; T41-V45 VanDerWaalsContact O-CG2 3.32Å; T41-V45 WeakPolarHBondContact O-CG2 3.43Å; T41-V45 PolarHBondContact O-N 3.29Å; L42-V45 PolarHBondContact O-N 3.48Å; V43-V45 PolarHBondContact O-N 2.97Å; V45-T48 WeakPolarHBondContact CA-OG1 3.42Å; V45-T48 PolarHBondContact O-OG1 3.35Å; V45-T48 VanDerWaalsContact O-OG1 3.13Å; V45-K49 WeakPolarHBondContact O-CB 3.38Å; V45-K49 PolarHBondContact O-N 3.24Å; V45-L338 HydrophobicContact CB-CD1 4.43Å; V45-L338 HydrophobicContact CG1-CD1 3.92Å; V45-L338 HydrophobicContact CG1-CD2 3.77Å |
| 46 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L42 V43 C44 T48 F50 L53 A334 F335 L338 | L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.43Å; L42-A46 PolarHBondContact O-N 3.41Å; V43-A46 PolarHBondContact O-N 3.35Å; C44-A46 PolarHBondContact O-N 3.4Å; A46-T48 PolarHBondContact O-N 3.5Å; A46-F50 HydrophobicContact CB-CD2 4.5Å; A46-F50 WeakPolarHBondContact O-CB 3.28Å; A46-F50 VanDerWaalsContact O-CD2 3.23Å; A46-F50 WeakPolarHBondContact O-CD2 3.37Å; A46-F50 PolarHBondContact O-N 2.86Å; A46-F50 VanDerWaalsContact O-N 3.1Å; A46-L53 HydrophobicContact CB-CD1 4.33Å; A46-A334 HydrophobicContact CB-CB 4Å; A46-F335 HydrophobicContact CB-CD1 3.97Å; A46-F335 HydrophobicContact CB-CE1 3.69Å; A46-L338 HydrophobicContact CB-CD1 3.86Å |
| 47 | V | 94.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | -177.9 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | V43 C44 L53 R54 N59 I63 F331 | V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.43Å; C44-V47 PolarHBondContact O-N 3.1Å; V47-L53 HydrophobicContact CG1-CB 4.48Å; V47-R54 WeakPolarHBondContact O-CB 3.44Å; V47-N59 HydrophobicContact CG1-CB 3.72Å; V47-N59 HydrophobicContact CG2-CB 4.32Å; V47-I63 HydrophobicContact CB-CD1 3.81Å; V47-I63 HydrophobicContact CB-CG1 3.89Å; V47-I63 HydrophobicContact CG1-CD1 3.4Å; V47-I63 VanDerWaalsContact CG1-CD1 3.4Å; V47-I63 HydrophobicContact CG1-CG1 3.9Å; V47-I63 HydrophobicContact CG2-CG1 4.27Å; V47-F331 HydrophobicContact CG2-CE1 3.61Å; V47-F331 HydrophobicContact CG2-CZ 3.78Å |
| 48 | T | 93.4 | Very high | 93.1 | Very high | 90 Ų | 90 | 58.7 Ų | 58.7 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.6 | -39.6 | -179.5 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | C44 V45 A46 | C44-T48 WeakPolarHBondContact O-CB 3.28Å; C44-T48 VanDerWaalsContact O-CG2 3.26Å; C44-T48 WeakPolarHBondContact O-CG2 3.4Å; C44-T48 PolarHBondContact O-N 3.05Å; C44-T48 PolarHBondContact O-OG1 3.44Å; V45-T48 WeakPolarHBondContact CA-OG1 3.42Å; V45-T48 PolarHBondContact O-OG1 3.35Å; V45-T48 VanDerWaalsContact O-OG1 3.13Å; A46-T48 PolarHBondContact O-N 3.5Å |
| 49 | K | 92.6 | Very high | 92.9 | Very high | 141 Ų | 141 | 53.9 Ų | 53.9 | 61% | 0.613 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -77.6 | -38.6 | -177.3 | -168.4 | 176.4 | -172.1 | 170.4 | 0 | 113.2 | V45 L338 | V45-K49 WeakPolarHBondContact O-CB 3.38Å; V45-K49 PolarHBondContact O-N 3.24Å; K49-L338 HydrophobicContact CD-CD2 3.76Å |
| 50 | F | 93.2 | Very high | 92.9 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | trans | -94.2 | 111.5 | -173.4 | -67.7 | -75.2 | 0 | 0 | 0 | 112.3 | A46 H52 L53 R54 A334 I337 L338 | A46-F50 HydrophobicContact CB-CD2 4.5Å; A46-F50 WeakPolarHBondContact O-CB 3.28Å; A46-F50 VanDerWaalsContact O-CD2 3.23Å; A46-F50 WeakPolarHBondContact O-CD2 3.37Å; A46-F50 PolarHBondContact O-N 2.86Å; A46-F50 VanDerWaalsContact O-N 3.1Å; F50-H52 VanDerWaalsContact C-N 3.27Å; F50-H52 PolarHBondContact O-N 3.19Å; F50-H52 VanDerWaalsContact O-N 3.16Å; F50-L53 HydrophobicContact CB-CB 4.37Å; F50-L53 HydrophobicContact CB-CD1 4.15Å; F50-L53 HydrophobicContact CB-CG 4.25Å; F50-L53 HydrophobicContact CD2-CD1 4.49Å; F50-L53 PolarHBondContact O-N 3.01Å; F50-R54 PolarHBondContact O-N 3.13Å; F50-A334 HydrophobicContact CD2-CB 3.43Å; F50-A334 VanDerWaalsContact CD2-CB 3.43Å; F50-A334 HydrophobicContact CE2-CB 3.43Å; F50-A334 VanDerWaalsContact CE2-CB 3.43Å; F50-A334 HydrophobicContact CG-CB 4.23Å; F50-A334 HydrophobicContact CZ-CB 4.21Å; F50-I337 HydrophobicContact CE1-CD1 3.97Å; F50-I337 HydrophobicContact CE1-CG2 4.34Å; F50-I337 HydrophobicContact CZ-CB 3.94Å; F50-I337 HydrophobicContact CZ-CD1 4.08Å; F50-I337 HydrophobicContact CZ-CG2 3.83Å; F50-L338 HydrophobicContact CE2-CD1 4.02Å; F50-L338 HydrophobicContact CE2-CD2 4.46Å; F50-L338 HydrophobicContact CE2-CG 3.96Å; F50-L338 HydrophobicContact CZ-CG 4.46Å | ||
| 51 | R | 89.5 | Confident | 92.7 | Very high | 202 Ų | 202 | 57.1 Ų | 57.1 | 76% | 0.762 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -53.9 | -37.8 | -178.1 | -171.7 | 166.5 | 75.6 | 104.7 | -4.9 | 114.2 | L53 R54 S55 | R51-L53 VanDerWaalsContact C-N 3.32Å; R51-L53 PolarHBondContact O-N 3.36Å; R51-R54 PolarHBondContact O-N 2.81Å; R51-S55 WeakPolarHBondContact O-CB 3.23Å; R51-S55 PolarHBondContact O-N 3.05Å; R51-S55 PolarHBondContact O-OG 3.35Å |
| 52 | H | 89 | Confident | 92.6 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.8 | -26.1 | 179.5 | 74.7 | -83.7 | 0 | 0 | 0 | 113.7 | F50 S55 | F50-H52 VanDerWaalsContact C-N 3.27Å; F50-H52 PolarHBondContact O-N 3.19Å; F50-H52 VanDerWaalsContact O-N 3.16Å; H52-S55 PolarHBondContact O-OG 3.43Å; H52-S55 VanDerWaalsContact O-OG 3.13Å |
| 53 | L | 90.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -80.5 | -46.1 | 171.2 | -68.3 | 178.1 | 0 | 0 | 0 | 109.7 | A46 V47 F50 R51 S55 K56 N59 D330 F331 A334 | A46-L53 HydrophobicContact CB-CD1 4.33Å; V47-L53 HydrophobicContact CG1-CB 4.48Å; F50-L53 HydrophobicContact CB-CB 4.37Å; F50-L53 HydrophobicContact CB-CD1 4.15Å; F50-L53 HydrophobicContact CB-CG 4.25Å; F50-L53 HydrophobicContact CD2-CD1 4.49Å; F50-L53 PolarHBondContact O-N 3.01Å; R51-L53 VanDerWaalsContact C-N 3.32Å; R51-L53 PolarHBondContact O-N 3.36Å; L53-S55 PolarHBondContact O-N 3.41Å; L53-K56 PolarHBondContact O-N 3.35Å; L53-K56 VanDerWaalsContact O-N 3.12Å; L53-N59 WeakPolarHBondContact CA-ND2 3.49Å; L53-N59 PolarHBondContact O-ND2 3.05Å; L53-D330 HydrophobicContact CD2-CB 3.72Å; L53-F331 HydrophobicContact CD1-CD1 4.38Å; L53-F331 HydrophobicContact CD1-CE1 4.4Å; L53-F331 HydrophobicContact CD2-CD2 4.33Å; L53-F331 HydrophobicContact CD2-CE2 4.23Å; L53-A334 HydrophobicContact CD1-CB 3.85Å |
| 54 | R | 92.2 | Very high | 92.6 | Very high | 139 Ų | 139 | 54.7 Ų | 54.7 | 53% | 0.525 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -31.8 | 179.5 | -168.4 | 174.1 | 64.2 | 103.7 | -1.9 | 113.8 | V47 F50 R51 K56 | V47-R54 WeakPolarHBondContact O-CB 3.44Å; F50-R54 PolarHBondContact O-N 3.13Å; R51-R54 PolarHBondContact O-N 2.81Å; R54-K56 PolarHBondContact O-N 3.14Å |
| 55 | S | 87.9 | Confident | 92.5 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 62% | 0.622 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.4 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | R51 H52 L53 | R51-S55 WeakPolarHBondContact O-CB 3.23Å; R51-S55 PolarHBondContact O-N 3.05Å; R51-S55 PolarHBondContact O-OG 3.35Å; H52-S55 PolarHBondContact O-OG 3.43Å; H52-S55 VanDerWaalsContact O-OG 3.13Å; L53-S55 PolarHBondContact O-N 3.41Å |
| 56 | K | 90.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | trans | -89 | 115.9 | 178.3 | -62.3 | -178.8 | -178.2 | -179.7 | 0 | 109.6 | L53 R54 T58 N59 D330 | L53-K56 PolarHBondContact O-N 3.35Å; L53-K56 VanDerWaalsContact O-N 3.12Å; R54-K56 PolarHBondContact O-N 3.14Å; K56-T58 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-N59 WeakPolarHBondContact O-CB 3.47Å; K56-N59 PolarHBondContact O-N 3.27Å; K56-D330 IonicContact NZ-OD2 3.98Å; K56-D330 PolarHBondContact NZ-OD2 3.39Å | ||
| 57 | V | 89.8 | Confident | 92.7 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | N59 F60 M134 P136 A139 | V57-N59 PolarHBondContact O-N 2.85Å; V57-N59 VanDerWaalsContact O-N 3.15Å; V57-F60 HydrophobicContact CG1-CD2 4.41Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 WeakPolarHBondContact O-CD2 3.36Å; V57-F60 PolarHBondContact O-N 2.88Å; V57-F60 VanDerWaalsContact O-N 3.07Å; V57-M134 HydrophobicContact CG1-CE 3.97Å; V57-M134 HydrophobicContact CG1-CG 4.09Å; V57-P136 HydrophobicContact CG2-CG 4.28Å; V57-A139 HydrophobicContact CG1-CB 3.61Å |
| 58 | T | 88.5 | Confident | 92.7 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.7 | -30.8 | 178.3 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | K56 F60 F61 Y130 | K56-T58 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact O-N 3.11Å; T58-F60 PolarHBondContact O-N 3.24Å; T58-F61 PolarHBondContact O-N 3.32Å; T58-Y130 WeakPolarHBondContact CG2-OH 3.49Å |
| 59 | N | 92.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -76.7 | -12.7 | -176.7 | -67.5 | -16.5 | 0 | 0 | 0 | 112.2 | V47 L53 K56 V57 F61 V62 I63 | V47-N59 HydrophobicContact CG1-CB 3.72Å; V47-N59 HydrophobicContact CG2-CB 4.32Å; L53-N59 WeakPolarHBondContact CA-ND2 3.49Å; L53-N59 PolarHBondContact O-ND2 3.05Å; K56-N59 WeakPolarHBondContact O-CB 3.47Å; K56-N59 PolarHBondContact O-N 3.27Å; V57-N59 PolarHBondContact O-N 2.85Å; V57-N59 VanDerWaalsContact O-N 3.15Å; N59-F61 VanDerWaalsContact C-N 3.35Å; N59-V62 PolarHBondContact O-N 3.46Å; N59-I63 WeakPolarHBondContact O-CG1 3.44Å; N59-I63 PolarHBondContact O-N 3.48Å |
| 60 | F | 94.1 | Very high | 93 | Very high | 82 Ų | 82 | 44.7 Ų | 44.7 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67 | -35.8 | 168.4 | -69.8 | -61.8 | 0 | 0 | 0 | 112.1 | V57 T58 V62 I63 S64 I143 | V57-F60 HydrophobicContact CG1-CD2 4.41Å; V57-F60 WeakPolarHBondContact O-CB 3.3Å; V57-F60 WeakPolarHBondContact O-CD2 3.36Å; V57-F60 PolarHBondContact O-N 2.88Å; V57-F60 VanDerWaalsContact O-N 3.07Å; T58-F60 PolarHBondContact O-N 3.24Å; F60-V62 VanDerWaalsContact C-N 3.33Å; F60-I63 HydrophobicContact CD1-CD1 4.44Å; F60-I63 PolarHBondContact O-N 3.01Å; F60-S64 PolarHBondContact O-N 3.42Å; F60-I143 HydrophobicContact CB-CD1 4.19Å |
| 61 | F | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 173.4 | -57.7 | -58.3 | 0 | 0 | 0 | 111.9 | T58 N59 S64 L65 V115 I116 D119 M134 A139 M142 I143 | T58-F61 PolarHBondContact O-N 3.32Å; N59-F61 VanDerWaalsContact C-N 3.35Å; F61-S64 PolarHBondContact O-N 2.85Å; F61-L65 PolarHBondContact O-N 3.26Å; F61-V115 HydrophobicContact CD1-CG1 3.35Å; F61-V115 HydrophobicContact CE1-CG1 3.31Å; F61-V115 HydrophobicContact CG-CG1 4.07Å; F61-V115 HydrophobicContact CZ-CG1 3.98Å; F61-I116 HydrophobicContact CB-CD1 4.29Å; F61-I116 HydrophobicContact CB-CG1 3.61Å; F61-I116 HydrophobicContact CG-CG1 4.46Å; F61-D119 HydrophobicContact CD2-CB 4.23Å; F61-D119 HydrophobicContact CE2-CB 3.81Å; F61-M134 HydrophobicContact CE2-CE 3.25Å; F61-M134 HydrophobicContact CZ-CE 3.37Å; F61-A139 HydrophobicContact CE1-CB 4.08Å; F61-A139 HydrophobicContact CE2-CB 4.41Å; F61-A139 HydrophobicContact CZ-CB 3.78Å; F61-M142 HydrophobicContact CE1-CB 3.99Å; F61-M142 HydrophobicContact CE1-SD 4.37Å; F61-M142 HydrophobicContact CZ-CB 4.43Å; F61-M142 HydrophobicContact CZ-CE 4.46Å; F61-M142 HydrophobicContact CZ-SD 3.9Å; F61-I143 HydrophobicContact CD1-CD1 3.87Å; F61-I143 HydrophobicContact CD1-CG1 3.62Å; F61-I143 HydrophobicContact CE1-CD1 4.2Å; F61-I143 HydrophobicContact CE1-CG1 3.86Å |
| 62 | V | 93.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 175 | 175.5 | 0 | 0 | 0 | 0 | 111 | V43 N59 F60 L65 A66 Y325 F331 | V43-V62 HydrophobicContact CG1-CG1 3.61Å; N59-V62 PolarHBondContact O-N 3.46Å; F60-V62 VanDerWaalsContact C-N 3.33Å; V62-L65 PolarHBondContact O-N 3.14Å; V62-A66 WeakPolarHBondContact O-CB 3.05Å; V62-A66 PolarHBondContact O-N 3.5Å; V62-Y325 HydrophobicContact CG1-CD2 4.13Å; V62-Y325 HydrophobicContact CG1-CE1 4.15Å; V62-Y325 HydrophobicContact CG1-CE2 3.65Å; V62-Y325 HydrophobicContact CG2-CE1 4.14Å; V62-F331 HydrophobicContact CG1-CE1 4.42Å; V62-F331 HydrophobicContact CG1-CZ 4.07Å |
| 63 | I | 95.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 32 Ų | 32 | 16% | 0.159 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 173 | -70.4 | 165.4 | 0 | 0 | 0 | 110.6 | V47 N59 F60 L65 A66 I67 | V47-I63 HydrophobicContact CB-CD1 3.81Å; V47-I63 HydrophobicContact CB-CG1 3.89Å; V47-I63 HydrophobicContact CG1-CD1 3.4Å; V47-I63 VanDerWaalsContact CG1-CD1 3.4Å; V47-I63 HydrophobicContact CG1-CG1 3.9Å; V47-I63 HydrophobicContact CG2-CG1 4.27Å; N59-I63 WeakPolarHBondContact O-CG1 3.44Å; N59-I63 PolarHBondContact O-N 3.48Å; F60-I63 HydrophobicContact CD1-CD1 4.44Å; F60-I63 PolarHBondContact O-N 3.01Å; I63-L65 VanDerWaalsContact C-N 3.29Å; I63-L65 PolarHBondContact O-N 3.02Å; I63-A66 PolarHBondContact O-N 3.42Å; I63-I67 HydrophobicContact CG2-CD1 3.7Å; I63-I67 HydrophobicContact CG2-CG1 4.24Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.07Å |
| 64 | S | 96.6 | Very high | 94 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | F60 F61 I67 S68 N112 I143 W147 | F60-S64 PolarHBondContact O-N 3.42Å; F61-S64 PolarHBondContact O-N 2.85Å; S64-I67 PolarHBondContact O-N 3.4Å; S64-S68 PolarHBondContact O-N 3.37Å; S64-S68 PolarHBondContact O-OG 3.26Å; S64-N112 VanDerWaalsContact CB-OD1 3.25Å; S64-N112 WeakPolarHBondContact CB-OD1 3.37Å; S64-N112 PolarHBondContact OG-OD1 2.95Å; S64-I143 WeakPolarHBondContact OG-CG2 3.27Å; S64-W147 PolarHBondContact OG-NE1 3.29Å |
| 65 | L | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 174.2 | -174.1 | 68.1 | 0 | 0 | 0 | 111.9 | F61 V62 I63 I67 S68 D69 S109 N112 L113 I116 Y325 | F61-L65 PolarHBondContact O-N 3.26Å; V62-L65 PolarHBondContact O-N 3.14Å; I63-L65 VanDerWaalsContact C-N 3.29Å; I63-L65 PolarHBondContact O-N 3.02Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.02Å; L65-S68 WeakPolarHBondContact CA-OG 3.45Å; L65-S68 PolarHBondContact O-N 2.86Å; L65-S68 VanDerWaalsContact O-N 3.08Å; L65-S68 PolarHBondContact O-OG 3.31Å; L65-D69 PolarHBondContact O-N 3.45Å; L65-S109 VanDerWaalsContact CD1-O 3.28Å; L65-S109 WeakPolarHBondContact CD1-O 3.49Å; L65-S109 WeakPolarHBondContact CD1-OG 3.27Å; L65-N112 HydrophobicContact CB-CB 4.16Å; L65-N112 HydrophobicContact CD1-CB 3.77Å; L65-L113 HydrophobicContact CD1-CD2 4.38Å; L65-L113 HydrophobicContact CD1-CG 3.92Å; L65-L113 HydrophobicContact CD2-CD2 3.65Å; L65-L113 HydrophobicContact CD2-CG 4.12Å; L65-I116 HydrophobicContact CB-CD1 4.44Å; L65-I116 HydrophobicContact CD2-CD1 4.13Å; L65-Y325 WeakPolarHBondContact CD2-OH 3.42Å |
| 66 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N40 V43 V62 I63 D69 L70 | N40-A66 HydrophobicContact CB-CB 4.16Å; V43-A66 HydrophobicContact CB-CB 4.26Å; V43-A66 HydrophobicContact CG1-CB 3.96Å; V62-A66 WeakPolarHBondContact O-CB 3.05Å; V62-A66 PolarHBondContact O-N 3.5Å; I63-A66 PolarHBondContact O-N 3.42Å; A66-D69 PolarHBondContact O-N 3.42Å; A66-L70 WeakPolarHBondContact O-CB 3.4Å; A66-L70 WeakPolarHBondContact O-CG 3.28Å; A66-L70 PolarHBondContact O-N 3.28Å |
| 67 | I | 96.9 | Very high | 94.4 | Very high | 75 Ų | 75 | 23.9 Ų | 23.9 | 39% | 0.385 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 173.5 | -68.3 | 169.1 | 0 | 0 | 0 | 110.6 | I63 S64 L65 D69 L70 L71 W147 | I63-I67 HydrophobicContact CG2-CD1 3.7Å; I63-I67 HydrophobicContact CG2-CG1 4.24Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.07Å; S64-I67 PolarHBondContact O-N 3.4Å; L65-I67 VanDerWaalsContact C-N 3.26Å; L65-I67 PolarHBondContact O-N 3.02Å; I67-D69 VanDerWaalsContact C-N 3.31Å; I67-D69 PolarHBondContact O-N 3.08Å; I67-L70 PolarHBondContact O-N 3.21Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.22Å; I67-W147 HydrophobicContact CB-CZ2 4.47Å; I67-W147 HydrophobicContact CG2-CH2 4.05Å; I67-W147 HydrophobicContact CG2-CZ2 4.05Å |
| 68 | S | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | S64 L65 L71 V72 S109 | S64-S68 PolarHBondContact O-N 3.37Å; S64-S68 PolarHBondContact O-OG 3.26Å; L65-S68 WeakPolarHBondContact CA-OG 3.45Å; L65-S68 PolarHBondContact O-N 2.86Å; L65-S68 VanDerWaalsContact O-N 3.08Å; L65-S68 PolarHBondContact O-OG 3.31Å; S68-L71 WeakPolarHBondContact O-CB 3.5Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-V72 WeakPolarHBondContact O-CG2 3.5Å; S68-V72 PolarHBondContact O-N 3.34Å; S68-S109 WeakPolarHBondContact OG-CA 3.35Å |
| 69 | D | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 178.4 | -70.8 | -25.8 | 0 | 0 | 0 | 112.5 | L65 A66 I67 L71 V72 A73 S109 S318 N321 | L65-D69 PolarHBondContact O-N 3.45Å; A66-D69 PolarHBondContact O-N 3.42Å; I67-D69 VanDerWaalsContact C-N 3.31Å; I67-D69 PolarHBondContact O-N 3.08Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-V72 PolarHBondContact O-N 3.17Å; D69-A73 PolarHBondContact O-N 3.38Å; D69-A73 VanDerWaalsContact O-N 3.09Å; D69-S109 PolarHBondContact OD1-OG 2.95Å; D69-S318 VanDerWaalsContact OD1-CB 3.28Å; D69-S318 WeakPolarHBondContact OD1-CB 3.41Å; D69-S318 PolarHBondContact OD1-OG 3.47Å; D69-N321 PolarHBondContact OD2-ND2 2.9Å |
| 70 | L | 97.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 170.9 | -74.2 | 170.5 | 0 | 0 | 0 | 111.5 | L37 N40 A66 I67 V72 A73 I74 | L37-L70 HydrophobicContact CD2-CD2 4.02Å; N40-L70 HydrophobicContact CB-CD1 4.43Å; N40-L70 HydrophobicContact CB-CD2 3.86Å; N40-L70 HydrophobicContact CB-CG 3.75Å; A66-L70 WeakPolarHBondContact O-CB 3.4Å; A66-L70 WeakPolarHBondContact O-CG 3.28Å; A66-L70 PolarHBondContact O-N 3.28Å; I67-L70 PolarHBondContact O-N 3.21Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-A73 PolarHBondContact O-N 2.99Å; L70-I74 WeakPolarHBondContact O-CB 3.49Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.05Å |
| 71 | L | 96.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 24.5 Ų | 24.5 | 25% | 0.246 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.5 | -66.1 | 179.8 | 0 | 0 | 0 | 111.8 | I67 S68 D69 A73 I74 L75 C105 W147 | I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.22Å; S68-L71 WeakPolarHBondContact O-CB 3.5Å; S68-L71 PolarHBondContact O-N 3.35Å; D69-L71 VanDerWaalsContact C-N 3.33Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 2.7Å; L71-I74 PolarHBondContact O-N 3.15Å; L71-L75 HydrophobicContact CB-CD1 4.38Å; L71-L75 HydrophobicContact CD2-CD1 3.98Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 PolarHBondContact O-N 2.77Å; L71-C105 HydrophobicContact CB-CB 4.48Å; L71-W147 HydrophobicContact CD1-CH2 3.64Å; L71-W147 HydrophobicContact CD1-CZ3 3.73Å |
| 72 | V | 94.6 | Very high | 94 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -58.1 | -48.1 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | S68 D69 L70 I74 V76 M77 C105 W315 | S68-V72 WeakPolarHBondContact O-CG2 3.5Å; S68-V72 PolarHBondContact O-N 3.34Å; D69-V72 PolarHBondContact O-N 3.17Å; L70-V72 VanDerWaalsContact C-N 3.35Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 2.97Å; V72-V76 HydrophobicContact CG1-CB 4.21Å; V72-V76 WeakPolarHBondContact O-CA 3.4Å; V72-V76 VanDerWaalsContact O-CB 3.27Å; V72-V76 WeakPolarHBondContact O-CB 3.41Å; V72-V76 PolarHBondContact O-N 3.28Å; V72-M77 HydrophobicContact CB-CE 4.18Å; V72-M77 HydrophobicContact CG1-CE 3.45Å; V72-M77 VanDerWaalsContact CG1-CE 3.45Å; V72-M77 HydrophobicContact CG1-CG 4.09Å; V72-M77 PolarHBondContact O-N 2.65Å; V72-C105 HydrophobicContact CB-CB 4.47Å; V72-C105 HydrophobicContact CG2-CB 3.53Å; V72-W315 HydrophobicContact CG1-CG 4.48Å |
| 73 | A | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -67.5 | -27.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T36 L37 D69 L70 L71 M77 P78 | T36-A73 HydrophobicContact CG2-CB 3.76Å; L37-A73 HydrophobicContact CD2-CB 3.76Å; L37-A73 HydrophobicContact CG-CB 3.91Å; D69-A73 PolarHBondContact O-N 3.38Å; D69-A73 VanDerWaalsContact O-N 3.09Å; L70-A73 PolarHBondContact O-N 2.99Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 2.7Å; A73-M77 HydrophobicContact CB-SD 4.28Å; A73-P78 VanDerWaalsContact O-CD 3.26Å; A73-P78 WeakPolarHBondContact O-CD 3.44Å; A73-P78 WeakPolarHBondContact O-CG 3.42Å |
| 74 | I | 95.3 | Very high | 93 | Very high | 93 Ų | 93 | 26.4 Ų | 26.4 | 48% | 0.477 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -93.1 | -45.8 | -178.3 | -63.6 | 169.3 | 0 | 0 | 0 | 111.5 | L37 L70 L71 V72 | L37-I74 HydrophobicContact CD2-CD1 4.19Å; L37-I74 HydrophobicContact CD2-CG1 3.67Å; L70-I74 WeakPolarHBondContact O-CB 3.49Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 3.05Å; L71-I74 PolarHBondContact O-N 3.15Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 2.97Å |
| 75 | L | 93.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 27% | 0.272 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -97.4 | -18.8 | -169 | -58.9 | -180 | 0 | 0 | 0 | 113.8 | L71 W79 F101 | L71-L75 HydrophobicContact CB-CD1 4.38Å; L71-L75 HydrophobicContact CD2-CD1 3.98Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 PolarHBondContact O-N 2.77Å; L75-W79 PolarHBondContact O-NE1 3.41Å; L75-F101 HydrophobicContact CB-CB 4.48Å; L75-F101 HydrophobicContact CD1-CD1 3.83Å; L75-F101 HydrophobicContact CD1-CE1 4Å; L75-F101 HydrophobicContact CD1-CG 4.37Å |
| 76 | V | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -114.2 | -62.3 | -171.8 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | V72 W79 K80 W98 D102 C105 W315 | V72-V76 HydrophobicContact CG1-CB 4.21Å; V72-V76 WeakPolarHBondContact O-CA 3.4Å; V72-V76 VanDerWaalsContact O-CB 3.27Å; V72-V76 WeakPolarHBondContact O-CB 3.41Å; V72-V76 PolarHBondContact O-N 3.28Å; V76-W79 PolarHBondContact O-N 2.86Å; V76-K80 PolarHBondContact O-N 2.97Å; V76-W98 HydrophobicContact CG1-CZ2 3.98Å; V76-W98 PolarHBondContact O-NE1 3.5Å; V76-D102 HydrophobicContact CG1-CB 3.78Å; V76-D102 WeakPolarHBondContact CG1-OD1 3.43Å; V76-D102 HydrophobicContact CG2-CB 4.22Å; V76-C105 HydrophobicContact CG2-CB 4.35Å; V76-W315 HydrophobicContact CG1-CZ2 4.01Å |
| 77 | M | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | -169.6 | -61.1 | -178.4 | -167.1 | 0 | 0 | 114.5 | L32 I33 T36 V72 A73 W79 A81 W315 | L32-M77 HydrophobicContact CD2-CE 3.63Å; L32-M77 HydrophobicContact CD2-SD 3.46Å; L32-M77 WeakPolarHBondContact CD2-SD 3.48Å; I33-M77 HydrophobicContact CD1-CB 3.86Å; I33-M77 HydrophobicContact CG1-CB 3.53Å; I33-M77 HydrophobicContact CG1-CG 4.32Å; I33-M77 HydrophobicContact CG1-SD 3.82Å; T36-M77 HydrophobicContact CG2-CE 4.23Å; V72-M77 HydrophobicContact CB-CE 4.18Å; V72-M77 HydrophobicContact CG1-CE 3.45Å; V72-M77 VanDerWaalsContact CG1-CE 3.45Å; V72-M77 HydrophobicContact CG1-CG 4.09Å; V72-M77 PolarHBondContact O-N 2.65Å; A73-M77 HydrophobicContact CB-SD 4.28Å; M77-W79 PolarHBondContact O-N 3.41Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 3.31Å; M77-W315 HydrophobicContact CE-CB 3.72Å; M77-W315 HydrophobicContact CE-CG 4.07Å; M77-W315 HydrophobicContact CG-CD2 4.06Å; M77-W315 HydrophobicContact CG-CE3 4.14Å; M77-W315 HydrophobicContact CG-CG 4.34Å |
| 78 | P | 93.3 | Very high | 90.5 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.3 | -39.3 | -174.8 | -24.2 | 36.3 | 0 | 0 | 0 | 113.3 | I33 A73 A82 | I33-P78 HydrophobicContact CD1-CG 4.42Å; A73-P78 VanDerWaalsContact O-CD 3.26Å; A73-P78 WeakPolarHBondContact O-CD 3.44Å; A73-P78 WeakPolarHBondContact O-CG 3.42Å; P78-A82 WeakPolarHBondContact O-CB 3.5Å; P78-A82 PolarHBondContact O-N 2.92Å |
| 79 | W | 90.8 | Very high | 89.9 | Confident | 90 Ų | 90 | 36.9 Ų | 36.9 | 34% | 0.341 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.2 | -42.8 | -177.2 | -51.1 | 103.4 | 0 | 0 | 0 | 111.9 | L75 V76 M77 A82 T83 W89 F91 F94 W98 | L75-W79 PolarHBondContact O-NE1 3.41Å; V76-W79 PolarHBondContact O-N 2.86Å; M77-W79 PolarHBondContact O-N 3.41Å; W79-A82 PolarHBondContact O-N 3.25Å; W79-T83 PolarHBondContact O-N 3.29Å; W79-T83 VanDerWaalsContact O-N 3.09Å; W79-T83 PolarHBondContact O-OG1 2.84Å; W79-W89 HydrophobicContact CB-CH2 4.05Å; W79-W89 HydrophobicContact CB-CZ3 4.26Å; W79-F91 HydrophobicContact CB-CE2 4.37Å; W79-F91 AromaticContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD2 4.28Å; W79-F91 AromaticContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE2 4.01Å; W79-F91 HydrophobicContact CE3-CG 4.26Å; W79-F91 AromaticContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CZ3-CD1 4Å; W79-F91 AromaticContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CZ 4.22Å; W79-F94 AromaticContact CD2-CE1 3.83Å; W79-F94 HydrophobicContact CD2-CE1 3.83Å; W79-F94 AromaticContact CE2-CE1 3.91Å; W79-F94 HydrophobicContact CE3-CE1 4.28Å; W79-F94 HydrophobicContact CG-CE1 4.01Å; W79-F94 HydrophobicContact CZ2-CE1 4.44Å; W79-W98 AromaticContact CD1-CD1 3.74Å; W79-W98 AromaticContact CG-CD1 3.95Å |
| 80 | K | 87 | Confident | 89.3 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.8 | -38.3 | 175.1 | -174.3 | 55.2 | 163.7 | 156.6 | 0 | 111 | V76 A82 T83 E84 W98 D183 D308 W315 | V76-K80 PolarHBondContact O-N 2.97Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-A82 PolarHBondContact O-N 3.03Å; K80-T83 CarbonylContact O-C 3.59Å; K80-T83 WeakPolarHBondContact O-CA 3.36Å; K80-T83 WeakPolarHBondContact O-CB 3.2Å; K80-T83 PolarHBondContact O-N 2.96Å; K80-E84 WeakPolarHBondContact CE-OE1 3.47Å; K80-E84 IonicContact NZ-OE1 2.67Å; K80-E84 PolarHBondContact NZ-OE1 3.17Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 3.43Å; K80-W98 HydrophobicContact CB-CH2 4.23Å; K80-W98 HydrophobicContact CB-CZ2 3.56Å; K80-W98 HydrophobicContact CD-CH2 4.26Å; K80-W98 HydrophobicContact CD-CZ2 4.47Å; K80-W98 HydrophobicContact CG-CH2 4.26Å; K80-W98 HydrophobicContact CG-CZ2 4.05Å; K80-D183 IonicContact NZ-OD1 2.71Å; K80-D308 WeakPolarHBondContact CE-OD1 3.28Å; K80-D308 IonicContact NZ-OD1 2.7Å; K80-D308 PolarHBondContact NZ-OD1 2.86Å; K80-W315 HydrophobicContact CB-CH2 3.73Å; K80-W315 HydrophobicContact CB-CZ2 4.34Å; K80-W315 HydrophobicContact CG-CH2 3.51Å; K80-W315 HydrophobicContact CG-CZ2 4.21Å |
| 81 | A | 90.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L29 I33 M77 T83 E84 I85 | L29-A81 HydrophobicContact CB-CB 4.07Å; L29-A81 HydrophobicContact CD1-CB 3.78Å; I33-A81 HydrophobicContact CD1-CB 4.42Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 3.31Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-E84 PolarHBondContact O-N 3.33Å; A81-I85 WeakPolarHBondContact O-CD1 3.41Å; A81-I85 WeakPolarHBondContact O-CG1 3.46Å; A81-I85 PolarHBondContact O-N 3.09Å |
| 82 | A | 89.7 | Confident | 88.2 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P78 W79 K80 I85 V86 F91 | P78-A82 WeakPolarHBondContact O-CB 3.5Å; P78-A82 PolarHBondContact O-N 2.92Å; W79-A82 PolarHBondContact O-N 3.25Å; K80-A82 VanDerWaalsContact C-N 3.32Å; K80-A82 PolarHBondContact O-N 3.03Å; A82-I85 PolarHBondContact O-N 3.3Å; A82-V86 WeakPolarHBondContact O-CB 3.39Å; A82-V86 VanDerWaalsContact O-CG2 3.24Å; A82-V86 WeakPolarHBondContact O-CG2 3.16Å; A82-V86 PolarHBondContact O-N 3.18Å; A82-F91 HydrophobicContact CB-CE2 4.14Å; A82-F91 HydrophobicContact CB-CZ 3.85Å |
| 83 | T | 85.9 | Confident | 87.5 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | W79 K80 A81 I85 V86 G87 F88 W89 | W79-T83 PolarHBondContact O-N 3.29Å; W79-T83 VanDerWaalsContact O-N 3.09Å; W79-T83 PolarHBondContact O-OG1 2.84Å; K80-T83 CarbonylContact O-C 3.59Å; K80-T83 WeakPolarHBondContact O-CA 3.36Å; K80-T83 WeakPolarHBondContact O-CB 3.2Å; K80-T83 PolarHBondContact O-N 2.96Å; A81-T83 VanDerWaalsContact C-N 3.34Å; T83-I85 VanDerWaalsContact C-N 3.33Å; T83-I85 PolarHBondContact O-N 3.26Å; T83-V86 PolarHBondContact O-N 3.44Å; T83-G87 WeakPolarHBondContact O-CA 3.41Å; T83-G87 PolarHBondContact O-N 3.01Å; T83-F88 WeakPolarHBondContact CG2-O 3.27Å; T83-W89 HydrophobicContact CG2-CB 4.32Å; T83-W89 HydrophobicContact CG2-CE3 4.09Å |
| 84 | E | 83.8 | Confident | 87 | Confident | 41 Ų | 41 | 49 Ų | 49 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 177.2 | -70.3 | -53.4 | 131.1 | 0 | 0 | 112.8 | T25 L29 K80 A81 W312 | T25-E84 HydrophobicContact CG2-CB 4.48Å; L29-E84 HydrophobicContact CD1-CB 4.3Å; L29-E84 HydrophobicContact CD1-CG 4.25Å; K80-E84 WeakPolarHBondContact CE-OE1 3.47Å; K80-E84 IonicContact NZ-OE1 2.67Å; K80-E84 PolarHBondContact NZ-OE1 3.17Å; K80-E84 WeakPolarHBondContact O-CG 3.35Å; K80-E84 PolarHBondContact O-N 3.43Å; A81-E84 PolarHBondContact O-N 3.33Å; E84-W312 HydrophobicContact CG-CZ2 4.03Å |
| 85 | I | 86.5 | Confident | 86.4 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 40% | 0.395 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -75.2 | -40.7 | 180 | -64 | 165.7 | 0 | 0 | 0 | 110.7 | A81 A82 T83 | A81-I85 WeakPolarHBondContact O-CD1 3.41Å; A81-I85 WeakPolarHBondContact O-CG1 3.46Å; A81-I85 PolarHBondContact O-N 3.09Å; A82-I85 PolarHBondContact O-N 3.3Å; T83-I85 VanDerWaalsContact C-N 3.33Å; T83-I85 PolarHBondContact O-N 3.26Å |
| 86 | V | 84.9 | Confident | 85.8 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.1 | -30.6 | -177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | A82 T83 F88 | A82-V86 WeakPolarHBondContact O-CB 3.39Å; A82-V86 VanDerWaalsContact O-CG2 3.24Å; A82-V86 WeakPolarHBondContact O-CG2 3.16Å; A82-V86 PolarHBondContact O-N 3.18Å; T83-V86 PolarHBondContact O-N 3.44Å; V86-F88 HydrophobicContact CG1-CD1 3.4Å; V86-F88 HydrophobicContact CG1-CD2 4.37Å; V86-F88 HydrophobicContact CG1-CE1 3.14Å; V86-F88 HydrophobicContact CG1-CE2 4.17Å; V86-F88 HydrophobicContact CG1-CG 4.02Å; V86-F88 HydrophobicContact CG1-CZ 3.57Å |
| 87 | G | 79 | Confident | 85.5 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 84.1 | 4.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T83 | T83-G87 WeakPolarHBondContact O-CA 3.41Å; T83-G87 PolarHBondContact O-N 3.01Å |
| 88 | F | 80 | Confident | 85.3 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 46% | 0.461 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -152.8 | 167.3 | 172.5 | 69.3 | -91 | 0 | 0 | 0 | 109.3 | T83 V86 P90 | T83-F88 WeakPolarHBondContact CG2-O 3.27Å; V86-F88 HydrophobicContact CG1-CD1 3.4Å; V86-F88 HydrophobicContact CG1-CD2 4.37Å; V86-F88 HydrophobicContact CG1-CE1 3.14Å; V86-F88 HydrophobicContact CG1-CE2 4.17Å; V86-F88 HydrophobicContact CG1-CG 4.02Å; V86-F88 HydrophobicContact CG1-CZ 3.57Å; F88-P90 HydrophobicContact CE2-CB 3.88Å; F88-P90 HydrophobicContact CZ-CB 4.5Å; F88-P90 WeakPolarHBondContact O-CD 3.49Å |
| 89 | W | 83.9 | Confident | 84.9 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | trans | -87.8 | 107.6 | 178.3 | 179.4 | -96.6 | 0 | 0 | 0 | 112 | W79 T83 F91 G92 F94 C95 W98 D180 C182 | W79-W89 HydrophobicContact CB-CH2 4.05Å; W79-W89 HydrophobicContact CB-CZ3 4.26Å; T83-W89 HydrophobicContact CG2-CB 4.32Å; T83-W89 HydrophobicContact CG2-CE3 4.09Å; W89-F91 HydrophobicContact CD2-CB 4.48Å; W89-F91 AromaticContact CD2-CD2 3.93Å; W89-F91 HydrophobicContact CD2-CD2 3.93Å; W89-F91 AromaticContact CE2-CD2 3.81Å; W89-F91 HydrophobicContact CE3-CD2 4.04Å; W89-F91 AromaticContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CZ2-CB 3.75Å; W89-F91 AromaticContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CG 4.21Å; W89-F91 HydrophobicContact CZ3-CD2 4.01Å; W89-G92 PolarHBondContact NE1-O 3.45Å; W89-F94 HydrophobicContact CH2-CD1 4.22Å; W89-F94 HydrophobicContact CZ2-CB 4.39Å; W89-F94 AromaticContact CZ2-CD1 3.81Å; W89-F94 HydrophobicContact CZ2-CD1 3.81Å; W89-C95 HydrophobicContact CZ2-CB 4.21Å; W89-W98 HydrophobicContact CH2-CB 3.67Å; W89-W98 AromaticContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CE3 4.24Å; W89-W98 AromaticContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CZ2-CB 4.1Å; W89-W98 HydrophobicContact CZ2-CG 4.44Å; W89-W98 HydrophobicContact CZ3-CD2 4.05Å; W89-W98 HydrophobicContact CZ3-CE3 4.25Å; W89-W98 HydrophobicContact CZ3-CG 4.2Å; W89-D180 WeakPolarHBondContact CB-O 3.36Å; W89-C182 HydrophobicContact CB-CB 3.71Å; W89-C182 HydrophobicContact CD2-CB 3.35Å; W89-C182 HydrophobicContact CE3-CB 3.51Å; W89-C182 HydrophobicContact CG-CB 3.45Å; W89-C182 VanDerWaalsContact CG-CB 3.45Å; W89-C182 HydrophobicContact CZ3-CB 4.28Å | ||
| 90 | P | 83.4 | Confident | 84.8 | Confident | 61 Ų | 61 | 43 Ų | 43 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.3 | -176.1 | 35.5 | -37.3 | 0 | 0 | 0 | 113.7 | F88 G92 | F88-P90 HydrophobicContact CE2-CB 3.88Å; F88-P90 HydrophobicContact CZ-CB 4.5Å; F88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.47Å |
| 91 | F | 85.9 | Confident | 85 | Confident | 68 Ų | 68 | 45 Ų | 45 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 11.5 | -168.8 | -46.9 | -75.5 | 0 | 0 | 0 | 114.1 | W79 A82 W89 A93 F94 | W79-F91 HydrophobicContact CB-CE2 4.37Å; W79-F91 AromaticContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD1 3.96Å; W79-F91 HydrophobicContact CE3-CD2 4.28Å; W79-F91 AromaticContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE1 3.67Å; W79-F91 HydrophobicContact CE3-CE2 4.01Å; W79-F91 HydrophobicContact CE3-CG 4.26Å; W79-F91 AromaticContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CE3-CZ 3.7Å; W79-F91 HydrophobicContact CZ3-CD1 4Å; W79-F91 AromaticContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CE1 3.75Å; W79-F91 HydrophobicContact CZ3-CZ 4.22Å; A82-F91 HydrophobicContact CB-CE2 4.14Å; A82-F91 HydrophobicContact CB-CZ 3.85Å; W89-F91 HydrophobicContact CD2-CB 4.48Å; W89-F91 AromaticContact CD2-CD2 3.93Å; W89-F91 HydrophobicContact CD2-CD2 3.93Å; W89-F91 AromaticContact CE2-CD2 3.81Å; W89-F91 HydrophobicContact CE3-CD2 4.04Å; W89-F91 AromaticContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CZ2-CB 3.75Å; W89-F91 AromaticContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CD2 3.79Å; W89-F91 HydrophobicContact CZ2-CG 4.21Å; W89-F91 HydrophobicContact CZ3-CD2 4.01Å; F91-A93 PolarHBondContact O-N 3.31Å; F91-F94 HydrophobicContact CB-CB 4.07Å; F91-F94 HydrophobicContact CB-CD1 4.22Å; F91-F94 VanDerWaalsContact O-CB 3.29Å; F91-F94 WeakPolarHBondContact O-CB 3.38Å; F91-F94 PolarHBondContact O-N 2.92Å |
| 92 | G | 83.1 | Confident | 84.9 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 49% | 0.485 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | -131.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W89 P90 F94 C95 | W89-G92 PolarHBondContact NE1-O 3.45Å; P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.47Å; G92-F94 PolarHBondContact O-N 2.86Å; G92-C95 PolarHBondContact O-N 2.95Å; G92-C95 VanDerWaalsContact O-N 3.14Å |
| 93 | A | 80.3 | Confident | 84.8 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 74% | 0.744 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -12.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F91 C95 | F91-A93 PolarHBondContact O-N 3.31Å; A93-C95 PolarHBondContact O-N 3.38Å; A93-C95 VanDerWaalsContact O-N 3.13Å |
| 94 | F | 85.3 | Confident | 85.2 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -16.8 | 173.1 | -173.9 | -115.4 | 0 | 0 | 0 | 112.8 | W79 W89 F91 G92 N96 V97 W98 | W79-F94 AromaticContact CD2-CE1 3.83Å; W79-F94 HydrophobicContact CD2-CE1 3.83Å; W79-F94 AromaticContact CE2-CE1 3.91Å; W79-F94 HydrophobicContact CE3-CE1 4.28Å; W79-F94 HydrophobicContact CG-CE1 4.01Å; W79-F94 HydrophobicContact CZ2-CE1 4.44Å; W89-F94 HydrophobicContact CH2-CD1 4.22Å; W89-F94 HydrophobicContact CZ2-CB 4.39Å; W89-F94 AromaticContact CZ2-CD1 3.81Å; W89-F94 HydrophobicContact CZ2-CD1 3.81Å; F91-F94 HydrophobicContact CB-CB 4.07Å; F91-F94 HydrophobicContact CB-CD1 4.22Å; F91-F94 VanDerWaalsContact O-CB 3.29Å; F91-F94 WeakPolarHBondContact O-CB 3.38Å; F91-F94 PolarHBondContact O-N 2.92Å; G92-F94 PolarHBondContact O-N 2.86Å; F94-N96 PolarHBondContact O-N 3.27Å; F94-V97 HydrophobicContact CD2-CB 3.98Å; F94-V97 HydrophobicContact CD2-CG1 4.15Å; F94-V97 HydrophobicContact CE2-CB 4.05Å; F94-V97 HydrophobicContact CE2-CG1 3.73Å; F94-V97 PolarHBondContact O-N 3Å; F94-V97 VanDerWaalsContact O-N 3.13Å; F94-W98 HydrophobicContact CD1-CB 4.22Å; F94-W98 HydrophobicContact CE1-CB 3.99Å; F94-W98 PolarHBondContact O-N 3.4Å |
| 95 | C | 83.4 | Confident | 85.6 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -49.7 | -50.6 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | W89 G92 A93 V97 W98 V99 C182 | W89-C95 HydrophobicContact CZ2-CB 4.21Å; G92-C95 PolarHBondContact O-N 2.95Å; G92-C95 VanDerWaalsContact O-N 3.14Å; A93-C95 PolarHBondContact O-N 3.38Å; A93-C95 VanDerWaalsContact O-N 3.13Å; C95-V97 VanDerWaalsContact C-N 3.29Å; C95-V97 PolarHBondContact O-N 2.88Å; C95-W98 PolarHBondContact O-N 3.32Å; C95-V99 WeakPolarHBondContact O-CG2 3.22Å; C95-V99 PolarHBondContact O-N 3.3Å; C95-C182 WeakPolarHBondContact CA-SG 3.43Å; C95-C182 HydrophobicContact CB-CB 3.83Å; C95-C182 WeakPolarHBondContact CB-SG 3.34Å; C95-C182 VanDerWaalsContact SG-CA 3.55Å; C95-C182 WeakPolarHBondContact SG-CB 3.49Å; C95-C182 CovalentContact SG-SG 2.03Å; C95-C182 PolarHBondContact SG-SG 2.91Å |
| 96 | N | 80.6 | Confident | 85.8 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -39.1 | -177.9 | -57.9 | -50.8 | 0 | 0 | 0 | 111.7 | F94 V99 A100 V158 | F94-N96 PolarHBondContact O-N 3.27Å; N96-V99 PolarHBondContact O-N 2.86Å; N96-A100 PolarHBondContact O-N 3.37Å; N96-V158 HydrophobicContact CB-CG1 4.21Å; N96-V158 WeakPolarHBondContact O-CG1 3.25Å |
| 97 | V | 85.6 | Confident | 86.1 | Confident | 63 Ų | 63 | 37.8 Ų | 37.8 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.9 | -43 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | F94 C95 A100 F101 | F94-V97 HydrophobicContact CD2-CB 3.98Å; F94-V97 HydrophobicContact CD2-CG1 4.15Å; F94-V97 HydrophobicContact CE2-CB 4.05Å; F94-V97 HydrophobicContact CE2-CG1 3.73Å; F94-V97 PolarHBondContact O-N 3Å; F94-V97 VanDerWaalsContact O-N 3.13Å; C95-V97 VanDerWaalsContact C-N 3.29Å; C95-V97 PolarHBondContact O-N 2.88Å; V97-A100 PolarHBondContact O-N 2.85Å; V97-F101 HydrophobicContact CG1-CD2 3.72Å; V97-F101 HydrophobicContact CG1-CE2 3.48Å; V97-F101 VanDerWaalsContact CG1-CE2 3.48Å; V97-F101 WeakPolarHBondContact O-CD2 3.29Å; V97-F101 PolarHBondContact O-N 3.44Å |
| 98 | W | 88.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 175 | 175.9 | 81.7 | 0 | 0 | 0 | 111.8 | V76 W79 K80 W89 F94 C95 A100 F101 D102 | V76-W98 HydrophobicContact CG1-CZ2 3.98Å; V76-W98 PolarHBondContact O-NE1 3.5Å; W79-W98 AromaticContact CD1-CD1 3.74Å; W79-W98 AromaticContact CG-CD1 3.95Å; K80-W98 HydrophobicContact CB-CH2 4.23Å; K80-W98 HydrophobicContact CB-CZ2 3.56Å; K80-W98 HydrophobicContact CD-CH2 4.26Å; K80-W98 HydrophobicContact CD-CZ2 4.47Å; K80-W98 HydrophobicContact CG-CH2 4.26Å; K80-W98 HydrophobicContact CG-CZ2 4.05Å; W89-W98 HydrophobicContact CH2-CB 3.67Å; W89-W98 AromaticContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CD2 3.85Å; W89-W98 HydrophobicContact CH2-CE3 4.24Å; W89-W98 AromaticContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CH2-CG 3.54Å; W89-W98 HydrophobicContact CZ2-CB 4.1Å; W89-W98 HydrophobicContact CZ2-CG 4.44Å; W89-W98 HydrophobicContact CZ3-CD2 4.05Å; W89-W98 HydrophobicContact CZ3-CE3 4.25Å; W89-W98 HydrophobicContact CZ3-CG 4.2Å; F94-W98 HydrophobicContact CD1-CB 4.22Å; F94-W98 HydrophobicContact CE1-CB 3.99Å; F94-W98 PolarHBondContact O-N 3.4Å; C95-W98 PolarHBondContact O-N 3.32Å; W98-A100 VanDerWaalsContact C-N 3.31Å; W98-A100 PolarHBondContact O-N 3.38Å; W98-F101 PolarHBondContact O-N 3.33Å; W98-F101 VanDerWaalsContact O-N 3.11Å; W98-D102 HydrophobicContact CZ2-CB 4.37Å; W98-D102 PolarHBondContact O-N 2.87Å |
| 99 | V | 84.5 | Confident | 87.5 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | C95 N96 F101 D102 I103 V158 | C95-V99 WeakPolarHBondContact O-CG2 3.22Å; C95-V99 PolarHBondContact O-N 3.3Å; N96-V99 PolarHBondContact O-N 2.86Å; V99-F101 PolarHBondContact O-N 3.06Å; V99-D102 PolarHBondContact O-N 2.67Å; V99-I103 HydrophobicContact CG1-CD1 3.79Å; V99-I103 HydrophobicContact CG1-CG1 4.43Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.45Å; V99-I103 PolarHBondContact O-N 3.31Å; V99-V158 HydrophobicContact CG1-CG2 4.48Å |
| 100 | A | 88.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | N96 V97 W98 M104 S154 F155 V158 | N96-A100 PolarHBondContact O-N 3.37Å; V97-A100 PolarHBondContact O-N 2.85Å; W98-A100 VanDerWaalsContact C-N 3.31Å; W98-A100 PolarHBondContact O-N 3.38Å; A100-M104 WeakPolarHBondContact O-CB 3.41Å; A100-M104 PolarHBondContact O-N 2.99Å; A100-S154 WeakPolarHBondContact O-CB 3.17Å; A100-F155 HydrophobicContact CB-CD1 4.29Å; A100-F155 HydrophobicContact CB-CE1 4.14Å; A100-F155 HydrophobicContact CB-CE2 4.38Å; A100-F155 HydrophobicContact CB-CG 4.5Å; A100-F155 HydrophobicContact CB-CZ 4.19Å; A100-V158 HydrophobicContact CB-CB 4.15Å; A100-V158 HydrophobicContact CB-CG1 4.07Å; A100-V158 HydrophobicContact CB-CG2 4.06Å |
| 101 | F | 91.3 | Very high | 88.4 | Confident | 53 Ų | 53 | 28 Ų | 28 | 23% | 0.232 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 177.5 | -79.7 | -59.8 | 0 | 0 | 0 | 112.8 | L75 V97 W98 V99 M104 C105 F155 | L75-F101 HydrophobicContact CB-CB 4.48Å; L75-F101 HydrophobicContact CD1-CD1 3.83Å; L75-F101 HydrophobicContact CD1-CE1 4Å; L75-F101 HydrophobicContact CD1-CG 4.37Å; V97-F101 HydrophobicContact CG1-CD2 3.72Å; V97-F101 HydrophobicContact CG1-CE2 3.48Å; V97-F101 VanDerWaalsContact CG1-CE2 3.48Å; V97-F101 WeakPolarHBondContact O-CD2 3.29Å; V97-F101 PolarHBondContact O-N 3.44Å; W98-F101 PolarHBondContact O-N 3.33Å; W98-F101 VanDerWaalsContact O-N 3.11Å; V99-F101 PolarHBondContact O-N 3.06Å; F101-M104 HydrophobicContact CD1-CE 3.83Å; F101-M104 HydrophobicContact CE1-CE 4.23Å; F101-M104 PolarHBondContact O-N 2.83Å; F101-C105 VanDerWaalsContact O-CB 3.31Å; F101-C105 WeakPolarHBondContact O-CB 3.28Å; F101-C105 PolarHBondContact O-N 3.36Å; F101-C105 PolarHBondContact O-SG 3.43Å; F101-F155 HydrophobicContact CD1-CZ 4.25Å; F101-F155 AromaticContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CZ-CZ 4.24Å |
| 102 | D | 89.1 | Confident | 88.7 | Confident | 28 Ų | 28 | 24.8 Ų | 24.8 | 15% | 0.15 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -53.4 | 176 | -177.1 | 24.5 | 0 | 0 | 0 | 111 | V76 W98 V99 M104 C105 S106 | V76-D102 HydrophobicContact CG1-CB 3.78Å; V76-D102 WeakPolarHBondContact CG1-OD1 3.43Å; V76-D102 HydrophobicContact CG2-CB 4.22Å; W98-D102 HydrophobicContact CZ2-CB 4.37Å; W98-D102 PolarHBondContact O-N 2.87Å; V99-D102 PolarHBondContact O-N 2.67Å; D102-M104 VanDerWaalsContact C-N 3.33Å; D102-M104 PolarHBondContact O-N 3.02Å; D102-C105 PolarHBondContact O-N 2.82Å; D102-S106 WeakPolarHBondContact O-CB 3.47Å; D102-S106 PolarHBondContact O-N 3.17Å; D102-S106 PolarHBondContact O-OG 3.29Å; D102-S106 PolarHBondContact OD1-OG 2.96Å |
| 103 | I | 87.8 | Confident | 89 | Confident | 26 Ų | 26 | 22.7 Ų | 22.7 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 178.4 | -62.4 | 172.6 | 0 | 0 | 0 | 110.3 | V99 T107 Y190 | V99-I103 HydrophobicContact CG1-CD1 3.79Å; V99-I103 HydrophobicContact CG1-CG1 4.43Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.45Å; V99-I103 PolarHBondContact O-N 3.31Å; I103-T107 WeakPolarHBondContact O-CB 3.49Å; I103-T107 PolarHBondContact O-N 2.95Å; I103-T107 PolarHBondContact O-OG1 3Å; I103-Y190 HydrophobicContact CD1-CE1 4.23Å; I103-Y190 WeakPolarHBondContact CD1-OH 3.41Å |
| 104 | M | 93.1 | Very high | 89.6 | Confident | 15 Ų | 15 | 18.9 Ų | 18.9 | 7% | 0.074 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -53.5 | -179.9 | -173.3 | -165.3 | 68 | 0 | 0 | 111.7 | A100 F101 D102 T107 A108 V151 S154 F155 | A100-M104 WeakPolarHBondContact O-CB 3.41Å; A100-M104 PolarHBondContact O-N 2.99Å; F101-M104 HydrophobicContact CD1-CE 3.83Å; F101-M104 HydrophobicContact CE1-CE 4.23Å; F101-M104 PolarHBondContact O-N 2.83Å; D102-M104 VanDerWaalsContact C-N 3.33Å; D102-M104 PolarHBondContact O-N 3.02Å; M104-T107 PolarHBondContact O-N 3.05Å; M104-A108 VanDerWaalsContact O-CB 3.29Å; M104-A108 WeakPolarHBondContact O-CB 3.35Å; M104-A108 PolarHBondContact O-N 3.21Å; M104-V151 HydrophobicContact CG-CG2 4.18Å; M104-V151 HydrophobicContact SD-CG2 3.73Å; M104-S154 VanDerWaalsContact CB-OG 3.28Å; M104-S154 WeakPolarHBondContact CB-OG 3.2Å; M104-F155 HydrophobicContact CB-CE2 4.26Å; M104-F155 HydrophobicContact CG-CE2 4.33Å; M104-F155 HydrophobicContact SD-CD2 4.38Å; M104-F155 HydrophobicContact SD-CE2 3.64Å |
| 105 | C | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.9 | -41.1 | -173.2 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | L71 V72 V76 F101 D102 A108 S109 | L71-C105 HydrophobicContact CB-CB 4.48Å; V72-C105 HydrophobicContact CB-CB 4.47Å; V72-C105 HydrophobicContact CG2-CB 3.53Å; V76-C105 HydrophobicContact CG2-CB 4.35Å; F101-C105 VanDerWaalsContact O-CB 3.31Å; F101-C105 WeakPolarHBondContact O-CB 3.28Å; F101-C105 PolarHBondContact O-N 3.36Å; F101-C105 PolarHBondContact O-SG 3.43Å; D102-C105 PolarHBondContact O-N 2.82Å; C105-A108 PolarHBondContact O-N 3.28Å; C105-S109 PolarHBondContact O-N 3Å |
| 106 | S | 89.8 | Confident | 90.4 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 175 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | D102 A108 S109 I110 W278 | D102-S106 WeakPolarHBondContact O-CB 3.47Å; D102-S106 PolarHBondContact O-N 3.17Å; D102-S106 PolarHBondContact O-OG 3.29Å; D102-S106 PolarHBondContact OD1-OG 2.96Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 3.26Å; S106-S109 PolarHBondContact O-N 2.98Å; S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.68Å; S106-I110 VanDerWaalsContact O-N 3.08Å; S106-W278 WeakPolarHBondContact OG-CH2 3.28Å |
| 107 | T | 92.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | I103 M104 I110 L111 I153 S198 | I103-T107 WeakPolarHBondContact O-CB 3.49Å; I103-T107 PolarHBondContact O-N 2.95Å; I103-T107 PolarHBondContact O-OG1 3Å; M104-T107 PolarHBondContact O-N 3.05Å; T107-I110 PolarHBondContact O-N 2.98Å; T107-L111 HydrophobicContact CG2-CD1 3.94Å; T107-L111 HydrophobicContact CG2-CG 4.19Å; T107-L111 WeakPolarHBondContact O-CB 3.44Å; T107-L111 WeakPolarHBondContact O-CG 3.25Å; T107-L111 PolarHBondContact O-N 2.92Å; T107-I153 HydrophobicContact CG2-CD1 4.39Å; T107-S198 PolarHBondContact OG1-OG 3.06Å |
| 108 | A | 95 | Very high | 91 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M104 C105 S106 L111 N112 W147 S150 | M104-A108 VanDerWaalsContact O-CB 3.29Å; M104-A108 WeakPolarHBondContact O-CB 3.35Å; M104-A108 PolarHBondContact O-N 3.21Å; C105-A108 PolarHBondContact O-N 3.28Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-A108 PolarHBondContact O-N 3.26Å; A108-L111 PolarHBondContact O-N 3.02Å; A108-N112 WeakPolarHBondContact O-CB 3.2Å; A108-N112 PolarHBondContact O-N 3.28Å; A108-N112 PolarHBondContact O-ND2 3.2Å; A108-W147 HydrophobicContact CB-CE3 4.28Å; A108-W147 HydrophobicContact CB-CZ3 4.24Å; A108-S150 WeakPolarHBondContact CA-OG 3.15Å; A108-S150 PolarHBondContact N-OG 3.31Å; A108-S150 VanDerWaalsContact N-OG 3.12Å |
| 109 | S | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.7 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | L65 S68 D69 C105 S106 N112 L113 | L65-S109 VanDerWaalsContact CD1-O 3.28Å; L65-S109 WeakPolarHBondContact CD1-O 3.49Å; L65-S109 WeakPolarHBondContact CD1-OG 3.27Å; S68-S109 WeakPolarHBondContact OG-CA 3.35Å; D69-S109 PolarHBondContact OD1-OG 2.95Å; C105-S109 PolarHBondContact O-N 3Å; S106-S109 PolarHBondContact O-N 2.98Å; S109-N112 PolarHBondContact O-N 3.27Å; S109-L113 PolarHBondContact O-N 2.99Å |
| 110 | I | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 177.2 | -62.3 | 165.2 | 0 | 0 | 0 | 111.9 | S106 T107 N112 L113 C114 S198 F199 P202 F274 F282 | S106-I110 VanDerWaalsContact O-CG1 3.3Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.68Å; S106-I110 VanDerWaalsContact O-N 3.08Å; T107-I110 PolarHBondContact O-N 2.98Å; I110-N112 VanDerWaalsContact C-N 3.34Å; I110-N112 PolarHBondContact O-N 2.93Å; I110-L113 WeakPolarHBondContact O-CB 3.44Å; I110-L113 PolarHBondContact O-N 2.98Å; I110-C114 PolarHBondContact O-N 3.24Å; I110-S198 VanDerWaalsContact CG2-O 3.23Å; I110-S198 WeakPolarHBondContact CG2-O 3.25Å; I110-F199 HydrophobicContact CD1-CB 4.5Å; I110-F199 HydrophobicContact CD1-CD2 4.24Å; I110-P202 HydrophobicContact CG2-CB 3.69Å; I110-P202 HydrophobicContact CG2-CG 4.11Å; I110-F274 HydrophobicContact CB-CE2 4.35Å; I110-F274 HydrophobicContact CB-CZ 4.09Å; I110-F274 HydrophobicContact CG1-CE2 3.75Å; I110-F274 HydrophobicContact CG1-CZ 3.73Å; I110-F274 HydrophobicContact CG2-CE2 4.41Å; I110-F274 HydrophobicContact CG2-CZ 3.68Å; I110-F282 HydrophobicContact CD1-CE2 3.9Å; I110-F282 HydrophobicContact CD1-CZ 3.96Å |
| 111 | L | 93.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 11% | 0.11 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.5 | -36 | -179.6 | -70.5 | -179.4 | 0 | 0 | 0 | 112 | T107 A108 C114 V115 A146 L149 P202 | T107-L111 HydrophobicContact CG2-CD1 3.94Å; T107-L111 HydrophobicContact CG2-CG 4.19Å; T107-L111 WeakPolarHBondContact O-CB 3.44Å; T107-L111 WeakPolarHBondContact O-CG 3.25Å; T107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 3.02Å; L111-C114 WeakPolarHBondContact O-CB 3.29Å; L111-C114 PolarHBondContact O-N 2.93Å; L111-V115 WeakPolarHBondContact O-CB 3.45Å; L111-V115 WeakPolarHBondContact O-CG2 3.1Å; L111-V115 PolarHBondContact O-N 3.28Å; L111-A146 HydrophobicContact CB-CB 3.89Å; L111-A146 WeakPolarHBondContact CD1-O 3.32Å; L111-L149 HydrophobicContact CD1-CB 3.78Å; L111-P202 HydrophobicContact CD2-CB 4.45Å; L111-P202 HydrophobicContact CD2-CG 3.68Å |
| 112 | N | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 173.2 | -82.9 | -73.9 | 0 | 0 | 0 | 111.8 | S64 L65 A108 S109 I110 V115 I116 | S64-N112 VanDerWaalsContact CB-OD1 3.25Å; S64-N112 WeakPolarHBondContact CB-OD1 3.37Å; S64-N112 PolarHBondContact OG-OD1 2.95Å; L65-N112 HydrophobicContact CB-CB 4.16Å; L65-N112 HydrophobicContact CD1-CB 3.77Å; A108-N112 WeakPolarHBondContact O-CB 3.2Å; A108-N112 PolarHBondContact O-N 3.28Å; A108-N112 PolarHBondContact O-ND2 3.2Å; S109-N112 PolarHBondContact O-N 3.27Å; I110-N112 VanDerWaalsContact C-N 3.34Å; I110-N112 PolarHBondContact O-N 2.93Å; N112-V115 PolarHBondContact O-N 3.07Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.28Å; N112-I116 PolarHBondContact O-N 2.9Å |
| 113 | L | 89.6 | Confident | 91.1 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 172.4 | -74.8 | 171.2 | 0 | 0 | 0 | 112.3 | L65 S109 I110 I116 S117 M206 I270 F274 | L65-L113 HydrophobicContact CD1-CD2 4.38Å; L65-L113 HydrophobicContact CD1-CG 3.92Å; L65-L113 HydrophobicContact CD2-CD2 3.65Å; L65-L113 HydrophobicContact CD2-CG 4.12Å; S109-L113 PolarHBondContact O-N 2.99Å; I110-L113 WeakPolarHBondContact O-CB 3.44Å; I110-L113 PolarHBondContact O-N 2.98Å; L113-I116 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-OG 3.46Å; L113-M206 HydrophobicContact CB-CE 4.04Å; L113-I270 HydrophobicContact CD2-CG2 4.22Å; L113-F274 HydrophobicContact CD1-CB 4.36Å; L113-F274 HydrophobicContact CD1-CD2 3.21Å; L113-F274 HydrophobicContact CD1-CE2 3.59Å; L113-F274 HydrophobicContact CD1-CG 3.86Å; L113-F274 HydrophobicContact CD1-CZ 4.5Å |
| 114 | C | 92.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 18.5 Ų | 18.5 | 7% | 0.074 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.9 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | I110 L111 I116 S117 V118 P202 M206 | I110-C114 PolarHBondContact O-N 3.24Å; L111-C114 WeakPolarHBondContact O-CB 3.29Å; L111-C114 PolarHBondContact O-N 2.93Å; C114-I116 PolarHBondContact O-N 3.46Å; C114-S117 WeakPolarHBondContact O-CA 3.49Å; C114-S117 WeakPolarHBondContact O-CB 3.28Å; C114-S117 PolarHBondContact O-N 3.05Å; C114-S117 PolarHBondContact O-OG 3.48Å; C114-V118 WeakPolarHBondContact O-CG2 3.31Å; C114-V118 PolarHBondContact O-N 3.09Å; C114-P202 HydrophobicContact CB-CB 4.07Å; C114-M206 HydrophobicContact CB-CG 4.13Å; C114-M206 HydrophobicContact CB-SD 4.13Å |
| 115 | V | 93.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 19.4 Ų | 19.4 | 13% | 0.127 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.1 | 163.1 | 0 | 0 | 0 | 0 | 111.6 | F61 L111 N112 S117 V118 D119 M142 A146 | F61-V115 HydrophobicContact CD1-CG1 3.35Å; F61-V115 HydrophobicContact CE1-CG1 3.31Å; F61-V115 HydrophobicContact CG-CG1 4.07Å; F61-V115 HydrophobicContact CZ-CG1 3.98Å; L111-V115 WeakPolarHBondContact O-CB 3.45Å; L111-V115 WeakPolarHBondContact O-CG2 3.1Å; L111-V115 PolarHBondContact O-N 3.28Å; N112-V115 PolarHBondContact O-N 3.07Å; V115-S117 PolarHBondContact O-N 3.09Å; V115-V118 PolarHBondContact O-N 3.12Å; V115-D119 WeakPolarHBondContact O-CB 3.16Å; V115-D119 PolarHBondContact O-N 3.35Å; V115-M142 HydrophobicContact CG1-CB 4.16Å; V115-M142 HydrophobicContact CG1-CE 3.87Å; V115-A146 HydrophobicContact CG2-CB 4.33Å |
| 116 | I | 90.9 | Very high | 89.9 | Confident | 18 Ų | 18 | 21.4 Ų | 21.4 | 9% | 0.092 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 174.1 | -69.4 | 164.7 | 0 | 0 | 0 | 110.2 | F61 L65 N112 L113 C114 D119 R120 | F61-I116 HydrophobicContact CB-CD1 4.29Å; F61-I116 HydrophobicContact CB-CG1 3.61Å; F61-I116 HydrophobicContact CG-CG1 4.46Å; L65-I116 HydrophobicContact CB-CD1 4.44Å; L65-I116 HydrophobicContact CD2-CD1 4.13Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.28Å; N112-I116 PolarHBondContact O-N 2.9Å; L113-I116 PolarHBondContact O-N 3.31Å; C114-I116 PolarHBondContact O-N 3.46Å; I116-D119 PolarHBondContact O-N 2.92Å; I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.22Å; I116-R120 VanDerWaalsContact O-CG 3.23Å; I116-R120 WeakPolarHBondContact O-CG 3.36Å; I116-R120 PolarHBondContact O-N 3.01Å |
| 117 | S | 88.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 178.1 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | L113 C114 V115 D119 R120 Y121 M206 M271 | L113-S117 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-OG 3.46Å; C114-S117 WeakPolarHBondContact O-CA 3.49Å; C114-S117 WeakPolarHBondContact O-CB 3.28Å; C114-S117 PolarHBondContact O-N 3.05Å; C114-S117 PolarHBondContact O-OG 3.48Å; V115-S117 PolarHBondContact O-N 3.09Å; S117-D119 VanDerWaalsContact C-N 3.35Å; S117-R120 PolarHBondContact O-N 3.15Å; S117-Y121 WeakPolarHBondContact O-CB 3.25Å; S117-Y121 PolarHBondContact O-N 3.11Å; S117-M206 WeakPolarHBondContact OG-CG 3.33Å; S117-M271 WeakPolarHBondContact OG-CE 3.35Å |
| 118 | V | 91.1 | Very high | 89.4 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 179.8 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | C114 V115 Y121 W122 M142 I205 T209 | C114-V118 WeakPolarHBondContact O-CG2 3.31Å; C114-V118 PolarHBondContact O-N 3.09Å; V115-V118 PolarHBondContact O-N 3.12Å; V118-Y121 PolarHBondContact O-N 3.07Å; V118-W122 WeakPolarHBondContact O-CB 3.35Å; V118-W122 PolarHBondContact O-N 2.76Å; V118-M142 HydrophobicContact CG1-CE 4.3Å; V118-I205 HydrophobicContact CG2-CG2 3.91Å; V118-T209 HydrophobicContact CG2-CG2 4.43Å |
| 119 | D | 91.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 175.1 | 167.1 | 75.7 | 0 | 0 | 0 | 111.9 | F61 V115 I116 S117 Y121 W122 A123 Y130 M134 | F61-D119 HydrophobicContact CD2-CB 4.23Å; F61-D119 HydrophobicContact CE2-CB 3.81Å; V115-D119 WeakPolarHBondContact O-CB 3.16Å; V115-D119 PolarHBondContact O-N 3.35Å; I116-D119 PolarHBondContact O-N 2.92Å; S117-D119 VanDerWaalsContact C-N 3.35Å; D119-Y121 VanDerWaalsContact C-N 3.35Å; D119-Y121 PolarHBondContact O-N 3.17Å; D119-W122 PolarHBondContact O-N 3.12Å; D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.35Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.43Å; D119-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D119-Y130 PolarHBondContact OD1-OH 3.31Å; D119-M134 WeakPolarHBondContact OD1-CE 3.5Å |
| 120 | R | 87.9 | Confident | 89 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.4 | -66.8 | -58.5 | 83.4 | -151.1 | -12.6 | 111.6 | I116 S117 W122 A123 I124 Y130 I213 L267 | I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.22Å; I116-R120 VanDerWaalsContact O-CG 3.23Å; I116-R120 WeakPolarHBondContact O-CG 3.36Å; I116-R120 PolarHBondContact O-N 3.01Å; S117-R120 PolarHBondContact O-N 3.15Å; R120-W122 VanDerWaalsContact C-N 3.35Å; R120-W122 PolarHBondContact O-N 2.91Å; R120-A123 PolarHBondContact O-N 3.24Å; R120-I124 WeakPolarHBondContact O-CB 3.47Å; R120-I124 WeakPolarHBondContact O-CD1 3.37Å; R120-I124 VanDerWaalsContact O-CG1 3.28Å; R120-I124 WeakPolarHBondContact O-CG1 2.75Å; R120-I124 PolarHBondContact O-N 3.46Å; R120-Y130 PolarHBondContact NH2-OH 3.09Å; R120-Y130 VanDerWaalsContact NH2-OH 3.15Å; R120-I213 HydrophobicContact CB-CD1 4.42Å; R120-L267 HydrophobicContact CB-CD1 4.2Å; R120-L267 HydrophobicContact CG-CD1 3.96Å; R120-L267 HydrophobicContact CG-CD2 3.92Å |
| 121 | Y | 87.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.7 | 172.3 | -117.9 | 0 | 0 | 0 | 111.5 | S117 V118 D119 I124 S125 T209 R212 I213 I216 | S117-Y121 WeakPolarHBondContact O-CB 3.25Å; S117-Y121 PolarHBondContact O-N 3.11Å; V118-Y121 PolarHBondContact O-N 3.07Å; D119-Y121 VanDerWaalsContact C-N 3.35Å; D119-Y121 PolarHBondContact O-N 3.17Å; Y121-I124 PolarHBondContact O-N 3Å; Y121-S125 WeakPolarHBondContact O-CB 3.15Å; Y121-S125 PolarHBondContact O-N 3.13Å; Y121-S125 PolarHBondContact O-OG 2.65Å; Y121-T209 HydrophobicContact CD1-CG2 4.12Å; Y121-T209 HydrophobicContact CG-CG2 4.21Å; Y121-R212 HydrophobicContact CD2-CB 4.24Å; Y121-R212 HydrophobicContact CE2-CB 3.62Å; Y121-I213 HydrophobicContact CD2-CG1 3.76Å; Y121-I213 HydrophobicContact CG-CG1 4.37Å; Y121-I216 HydrophobicContact CE2-CD1 4.02Å |
| 122 | W | 90.4 | Very high | 88.6 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 178.9 | -168.9 | 1.2 | 0 | 0 | 0 | 111.5 | V118 D119 R120 I124 S125 S126 Y130 K133 | V118-W122 WeakPolarHBondContact O-CB 3.35Å; V118-W122 PolarHBondContact O-N 2.76Å; D119-W122 PolarHBondContact O-N 3.12Å; R120-W122 VanDerWaalsContact C-N 3.35Å; R120-W122 PolarHBondContact O-N 2.91Å; W122-I124 VanDerWaalsContact C-N 3.32Å; W122-I124 PolarHBondContact O-N 2.69Å; W122-S125 PolarHBondContact O-OG 2.74Å; W122-S126 PolarHBondContact O-N 2.94Å; W122-Y130 HydrophobicContact CB-CD2 3.98Å; W122-Y130 HydrophobicContact CD2-CD2 4.03Å; W122-Y130 HydrophobicContact CE3-CD2 4.46Å; W122-Y130 AromaticContact CG-CD2 3.81Å; W122-Y130 HydrophobicContact CG-CD2 3.81Å; W122-K133 HydrophobicContact CH2-CB 4.04Å; W122-K133 HydrophobicContact CH2-CD 4.49Å; W122-K133 HydrophobicContact CZ2-CB 3.77Å; W122-K133 HydrophobicContact CZ2-CD 3.93Å; W122-K133 HydrophobicContact CZ2-CG 4.45Å |
| 123 | A | 86.4 | Confident | 88.5 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D119 R120 P127 Y130 | D119-A123 WeakPolarHBondContact O-CB 3.48Å; D119-A123 PolarHBondContact O-N 3.35Å; R120-A123 PolarHBondContact O-N 3.24Å; A123-P127 WeakPolarHBondContact O-CA 3.44Å; A123-Y130 HydrophobicContact CB-CD1 3.82Å; A123-Y130 HydrophobicContact CB-CD2 3.93Å; A123-Y130 HydrophobicContact CB-CE1 3.84Å; A123-Y130 HydrophobicContact CB-CE2 3.93Å; A123-Y130 HydrophobicContact CB-CG 3.86Å |
| 124 | I | 82.6 | Confident | 88.6 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.8 | -39.7 | -176.3 | -64.4 | 163.5 | 0 | 0 | 0 | 111.8 | R120 Y121 W122 I213 I216 L264 L267 | R120-I124 WeakPolarHBondContact O-CB 3.47Å; R120-I124 WeakPolarHBondContact O-CD1 3.37Å; R120-I124 VanDerWaalsContact O-CG1 3.28Å; R120-I124 WeakPolarHBondContact O-CG1 2.75Å; R120-I124 PolarHBondContact O-N 3.46Å; Y121-I124 PolarHBondContact O-N 3Å; W122-I124 VanDerWaalsContact C-N 3.32Å; W122-I124 PolarHBondContact O-N 2.69Å; I124-I213 HydrophobicContact CD1-CD1 4.32Å; I124-I213 HydrophobicContact CD1-CG1 4.38Å; I124-I213 HydrophobicContact CD1-CG2 3.71Å; I124-I213 HydrophobicContact CG2-CG2 4.37Å; I124-I216 HydrophobicContact CG2-CG2 4.5Å; I124-L264 HydrophobicContact CD1-CD2 3.79Å; I124-L267 HydrophobicContact CD1-CD1 4.48Å |
| 125 | S | 82.4 | Confident | 88.6 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75 | -26.2 | -177.8 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | Y121 W122 | Y121-S125 WeakPolarHBondContact O-CB 3.15Å; Y121-S125 PolarHBondContact O-N 3.13Å; Y121-S125 PolarHBondContact O-OG 2.65Å; W122-S125 PolarHBondContact O-OG 2.74Å |
| 126 | S | 84.8 | Confident | 88.5 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -151.1 | 72.5 | -176.5 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | W122 F128 R129 Y130 | W122-S126 PolarHBondContact O-N 2.94Å; S126-F128 PolarHBondContact O-N 3.41Å; S126-R129 PolarHBondContact O-N 3.22Å; S126-Y130 WeakPolarHBondContact O-CB 3.45Å; S126-Y130 PolarHBondContact O-N 3.35Å | ||
| 127 | P | 84.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 75.5 Ų | 75.5 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | -170.6 | 20.5 | -32.6 | 0 | 0 | 0 | 113.7 | A123 R129 Y130 E131 | A123-P127 WeakPolarHBondContact O-CA 3.44Å; P127-R129 PolarHBondContact O-N 3.2Å; P127-Y130 PolarHBondContact O-N 3.42Å; P127-E131 PolarHBondContact O-N 3.43Å |
| 128 | F | 87.4 | Confident | 89 | Confident | 175 Ų | 175 | 77.5 Ų | 77.5 | 77% | 0.768 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.5 | -34.8 | -179.5 | -58.4 | -64.2 | 0 | 0 | 0 | 113.4 | S126 R132 | S126-F128 PolarHBondContact O-N 3.41Å; F128-R132 PolarHBondContact O-N 2.98Å |
| 129 | R | 88.4 | Confident | 89.2 | Confident | 161 Ų | 161 | 75.3 Ų | 75.3 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -72.4 | -37.9 | 176.1 | -70.6 | -177.6 | 164.1 | -173.3 | -3.6 | 110.9 | S126 P127 K133 | S126-R129 PolarHBondContact O-N 3.22Å; P127-R129 PolarHBondContact O-N 3.2Å; R129-K133 VanDerWaalsContact O-CB 3.29Å; R129-K133 WeakPolarHBondContact O-CB 3.13Å; R129-K133 WeakPolarHBondContact O-CG 3.12Å; R129-K133 PolarHBondContact O-N 3.12Å |
| 130 | Y | 90.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 81.9 Ų | 81.9 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.5 | -51.5 | 176.1 | 177.8 | -94.4 | 0 | 0 | 0 | 110.7 | T58 D119 R120 W122 A123 S126 P127 R132 K133 M134 | T58-Y130 WeakPolarHBondContact CG2-OH 3.49Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.43Å; D119-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D119-Y130 PolarHBondContact OD1-OH 3.31Å; R120-Y130 PolarHBondContact NH2-OH 3.09Å; R120-Y130 VanDerWaalsContact NH2-OH 3.15Å; W122-Y130 HydrophobicContact CB-CD2 3.98Å; W122-Y130 HydrophobicContact CD2-CD2 4.03Å; W122-Y130 HydrophobicContact CE3-CD2 4.46Å; W122-Y130 AromaticContact CG-CD2 3.81Å; W122-Y130 HydrophobicContact CG-CD2 3.81Å; A123-Y130 HydrophobicContact CB-CD1 3.82Å; A123-Y130 HydrophobicContact CB-CD2 3.93Å; A123-Y130 HydrophobicContact CB-CE1 3.84Å; A123-Y130 HydrophobicContact CB-CE2 3.93Å; A123-Y130 HydrophobicContact CB-CG 3.86Å; S126-Y130 WeakPolarHBondContact O-CB 3.45Å; S126-Y130 PolarHBondContact O-N 3.35Å; P127-Y130 PolarHBondContact O-N 3.42Å; Y130-R132 PolarHBondContact O-N 3.3Å; Y130-K133 PolarHBondContact O-N 3.14Å; Y130-M134 HydrophobicContact CD1-CB 4.28Å; Y130-M134 HydrophobicContact CD2-CB 3.96Å; Y130-M134 HydrophobicContact CD2-CG 4.32Å; Y130-M134 HydrophobicContact CE1-CB 4.1Å; Y130-M134 HydrophobicContact CE1-CG 4.2Å; Y130-M134 HydrophobicContact CE2-CB 3.78Å; Y130-M134 HydrophobicContact CE2-CE 4.45Å; Y130-M134 HydrophobicContact CE2-CG 3.64Å; Y130-M134 HydrophobicContact CE2-SD 4.05Å; Y130-M134 HydrophobicContact CG-CB 4.22Å; Y130-M134 WeakPolarHBondContact O-CA 3.22Å; Y130-M134 WeakPolarHBondContact O-CB 3.28Å; Y130-M134 PolarHBondContact O-N 3.42Å |
| 131 | E | 88.1 | Confident | 89.7 | Confident | 155 Ų | 155 | 84.4 Ų | 84.4 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.3 | -37 | -179.9 | -170.8 | 173.2 | -168.7 | 0 | 0 | 112.6 | P127 | P127-E131 PolarHBondContact O-N 3.43Å |
| 132 | R | 89.4 | Confident | 90.1 | Very high | 187 Ų | 187 | 83.4 Ų | 83.4 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -77.2 | -35 | 178 | -172.1 | 173.2 | 64.6 | -169.2 | 2.2 | 114.2 | F128 Y130 | F128-R132 PolarHBondContact O-N 2.98Å; Y130-R132 PolarHBondContact O-N 3.3Å |
| 133 | K | 90.8 | Very high | 90.5 | Very high | 125 Ų | 125 | 81 Ų | 81 | 54% | 0.543 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -97.5 | -29 | -173.3 | -73 | -166.5 | 168 | -166.5 | 0 | 113.8 | W122 R129 Y130 T135 | W122-K133 HydrophobicContact CH2-CB 4.04Å; W122-K133 HydrophobicContact CH2-CD 4.49Å; W122-K133 HydrophobicContact CZ2-CB 3.77Å; W122-K133 HydrophobicContact CZ2-CD 3.93Å; W122-K133 HydrophobicContact CZ2-CG 4.45Å; R129-K133 VanDerWaalsContact O-CB 3.29Å; R129-K133 WeakPolarHBondContact O-CB 3.13Å; R129-K133 WeakPolarHBondContact O-CG 3.12Å; R129-K133 PolarHBondContact O-N 3.12Å; Y130-K133 PolarHBondContact O-N 3.14Å; K133-T135 PolarHBondContact O-N 2.88Å |
| 134 | M | 91.7 | Very high | 91 | Very high | 15 Ų | 15 | 82.1 Ų | 82.1 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | trans | -77.3 | 97.5 | -175.6 | -169.4 | 64.6 | 169.4 | 0 | 0 | 110.2 | V57 F61 D119 Y130 V138 A139 | V57-M134 HydrophobicContact CG1-CE 3.97Å; V57-M134 HydrophobicContact CG1-CG 4.09Å; F61-M134 HydrophobicContact CE2-CE 3.25Å; F61-M134 HydrophobicContact CZ-CE 3.37Å; D119-M134 WeakPolarHBondContact OD1-CE 3.5Å; Y130-M134 HydrophobicContact CD1-CB 4.28Å; Y130-M134 HydrophobicContact CD2-CB 3.96Å; Y130-M134 HydrophobicContact CD2-CG 4.32Å; Y130-M134 HydrophobicContact CE1-CB 4.1Å; Y130-M134 HydrophobicContact CE1-CG 4.2Å; Y130-M134 HydrophobicContact CE2-CB 3.78Å; Y130-M134 HydrophobicContact CE2-CE 4.45Å; Y130-M134 HydrophobicContact CE2-CG 3.64Å; Y130-M134 HydrophobicContact CE2-SD 4.05Å; Y130-M134 HydrophobicContact CG-CB 4.22Å; Y130-M134 WeakPolarHBondContact O-CA 3.22Å; Y130-M134 WeakPolarHBondContact O-CB 3.28Å; Y130-M134 PolarHBondContact O-N 3.42Å; M134-V138 HydrophobicContact SD-CG1 4.1Å; M134-A139 HydrophobicContact CE-CB 4.14Å | ||
| 135 | T | 93.5 | Very high | 91.6 | Very high | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | trans | -111.5 | 161.3 | 178 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | K133 K137 V138 A139 | K133-T135 PolarHBondContact O-N 2.88Å; T135-K137 PolarHBondContact O-N 2.86Å; T135-K137 VanDerWaalsContact O-N 3.15Å; T135-V138 PolarHBondContact O-N 3.38Å; T135-V138 PolarHBondContact OG1-N 3.36Å; T135-A139 PolarHBondContact O-N 2.98Å; T135-A139 VanDerWaalsContact O-N 3.08Å | ||
| 136 | P | 91.8 | Very high | 92.2 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 51% | 0.506 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54 | -32.8 | 173.3 | -26.8 | 34.9 | 0 | 0 | 0 | 113.4 | V57 A139 F140 | V57-P136 HydrophobicContact CG2-CG 4.28Å; P136-A139 PolarHBondContact O-N 3.43Å; P136-F140 WeakPolarHBondContact O-CB 3.03Å; P136-F140 PolarHBondContact O-N 3.28Å |
| 137 | K | 94 | Very high | 92.8 | Very high | 169 Ų | 169 | 83.2 Ų | 83.2 | 74% | 0.735 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 175.9 | -66.2 | -177.5 | 178.7 | 178.9 | 0 | 111.8 | T135 F140 I141 | T135-K137 PolarHBondContact O-N 2.86Å; T135-K137 VanDerWaalsContact O-N 3.15Å; K137-F140 PolarHBondContact O-N 3.46Å; K137-I141 VanDerWaalsContact O-CG1 3.32Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 3.03Å |
| 138 | V | 95 | Very high | 93.3 | Very high | 43 Ų | 43 | 83.6 Ų | 83.6 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | M134 T135 F140 I141 M142 | M134-V138 HydrophobicContact SD-CG1 4.1Å; T135-V138 PolarHBondContact O-N 3.38Å; T135-V138 PolarHBondContact OG1-N 3.36Å; V138-F140 VanDerWaalsContact C-N 3.34Å; V138-F140 PolarHBondContact O-N 2.94Å; V138-I141 PolarHBondContact O-N 3.23Å; V138-M142 HydrophobicContact CG1-SD 4.22Å; V138-M142 WeakPolarHBondContact O-CG 3.36Å; V138-M142 PolarHBondContact O-N 3.38Å |
| 139 | A | 94.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V57 F61 M134 T135 P136 I141 M142 I143 | V57-A139 HydrophobicContact CG1-CB 3.61Å; F61-A139 HydrophobicContact CE1-CB 4.08Å; F61-A139 HydrophobicContact CE2-CB 4.41Å; F61-A139 HydrophobicContact CZ-CB 3.78Å; M134-A139 HydrophobicContact CE-CB 4.14Å; T135-A139 PolarHBondContact O-N 2.98Å; T135-A139 VanDerWaalsContact O-N 3.08Å; P136-A139 PolarHBondContact O-N 3.43Å; A139-I141 VanDerWaalsContact C-N 3.35Å; A139-I141 PolarHBondContact O-N 2.83Å; A139-M142 PolarHBondContact O-N 3.08Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.32Å; A139-I143 PolarHBondContact O-N 3.37Å |
| 140 | F | 95.4 | Very high | 93.9 | Very high | 140 Ų | 140 | 71.1 Ų | 71.1 | 61% | 0.614 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 177.6 | -173.1 | -96.4 | 0 | 0 | 0 | 112.6 | P136 K137 V138 I143 S144 | P136-F140 WeakPolarHBondContact O-CB 3.03Å; P136-F140 PolarHBondContact O-N 3.28Å; K137-F140 PolarHBondContact O-N 3.46Å; V138-F140 VanDerWaalsContact C-N 3.34Å; V138-F140 PolarHBondContact O-N 2.94Å; F140-I143 PolarHBondContact O-N 3.42Å; F140-S144 WeakPolarHBondContact CE1-OG 3.36Å; F140-S144 VanDerWaalsContact O-CB 3.31Å; F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3.12Å; F140-S144 PolarHBondContact O-OG 3.06Å |
| 141 | I | 96.3 | Very high | 94.1 | Very high | 105 Ų | 105 | 72.6 Ų | 72.6 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 174.4 | -68.5 | 164.8 | 0 | 0 | 0 | 110.4 | K137 V138 A139 I143 S144 V145 | K137-I141 VanDerWaalsContact O-CG1 3.32Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 3.03Å; V138-I141 PolarHBondContact O-N 3.23Å; A139-I141 VanDerWaalsContact C-N 3.35Å; A139-I141 PolarHBondContact O-N 2.83Å; I141-I143 VanDerWaalsContact C-N 3.33Å; I141-I143 PolarHBondContact O-N 3.37Å; I141-S144 PolarHBondContact O-N 3.18Å; I141-V145 HydrophobicContact CG2-CG2 4.4Å; I141-V145 VanDerWaalsContact O-CG2 3.3Å; I141-V145 WeakPolarHBondContact O-CG2 3.35Å; I141-V145 PolarHBondContact O-N 2.62Å |
| 142 | M | 95.5 | Very high | 94.2 | Very high | 37 Ų | 37 | 69.3 Ų | 69.3 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 179.1 | -68.9 | 175.7 | 77.6 | 0 | 0 | 112.1 | F61 V115 V118 V138 A139 A146 | F61-M142 HydrophobicContact CE1-CB 3.99Å; F61-M142 HydrophobicContact CE1-SD 4.37Å; F61-M142 HydrophobicContact CZ-CB 4.43Å; F61-M142 HydrophobicContact CZ-CE 4.46Å; F61-M142 HydrophobicContact CZ-SD 3.9Å; V115-M142 HydrophobicContact CG1-CB 4.16Å; V115-M142 HydrophobicContact CG1-CE 3.87Å; V118-M142 HydrophobicContact CG1-CE 4.3Å; V138-M142 HydrophobicContact CG1-SD 4.22Å; V138-M142 WeakPolarHBondContact O-CG 3.36Å; V138-M142 PolarHBondContact O-N 3.38Å; A139-M142 PolarHBondContact O-N 3.08Å; M142-A146 PolarHBondContact O-N 3.46Å; M142-A146 VanDerWaalsContact O-N 3.1Å |
| 143 | I | 97.3 | Very high | 94 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 174.7 | -71.1 | 165.7 | 0 | 0 | 0 | 110 | F60 F61 S64 A139 F140 I141 V145 A146 W147 | F60-I143 HydrophobicContact CB-CD1 4.19Å; F61-I143 HydrophobicContact CD1-CD1 3.87Å; F61-I143 HydrophobicContact CD1-CG1 3.62Å; F61-I143 HydrophobicContact CE1-CD1 4.2Å; F61-I143 HydrophobicContact CE1-CG1 3.86Å; S64-I143 WeakPolarHBondContact OG-CG2 3.27Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.32Å; A139-I143 PolarHBondContact O-N 3.37Å; F140-I143 PolarHBondContact O-N 3.42Å; I141-I143 VanDerWaalsContact C-N 3.33Å; I141-I143 PolarHBondContact O-N 3.37Å; I143-V145 VanDerWaalsContact C-N 3.28Å; I143-V145 PolarHBondContact O-N 3.43Å; I143-A146 WeakPolarHBondContact O-CB 3.38Å; I143-A146 PolarHBondContact O-N 3.49Å; I143-W147 VanDerWaalsContact CG2-CD1 3.49Å; I143-W147 PolarHBondContact O-N 3.28Å |
| 144 | S | 96.8 | Very high | 93.9 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 112 | F140 I141 T148 | F140-S144 WeakPolarHBondContact CE1-OG 3.36Å; F140-S144 VanDerWaalsContact O-CB 3.31Å; F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3.12Å; F140-S144 PolarHBondContact O-OG 3.06Å; I141-S144 PolarHBondContact O-N 3.18Å; S144-T148 VanDerWaalsContact O-CB 3.27Å; S144-T148 WeakPolarHBondContact O-CB 3.36Å; S144-T148 PolarHBondContact O-N 2.88Å; S144-T148 PolarHBondContact O-OG1 2.73Å |
| 145 | V | 95.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 47% | 0.473 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 173.9 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | I141 I143 W147 T148 L149 | I141-V145 HydrophobicContact CG2-CG2 4.4Å; I141-V145 VanDerWaalsContact O-CG2 3.3Å; I141-V145 WeakPolarHBondContact O-CG2 3.35Å; I141-V145 PolarHBondContact O-N 2.62Å; I143-V145 VanDerWaalsContact C-N 3.28Å; I143-V145 PolarHBondContact O-N 3.43Å; V145-W147 PolarHBondContact O-N 2.9Å; V145-T148 PolarHBondContact O-N 2.94Å; V145-L149 HydrophobicContact CG1-CD1 3.6Å; V145-L149 WeakPolarHBondContact O-CD1 3.35Å; V145-L149 PolarHBondContact O-N 3.39Å |
| 146 | A | 95.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.3 | -51.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L111 V115 M142 I143 T148 L149 S150 | L111-A146 HydrophobicContact CB-CB 3.89Å; L111-A146 WeakPolarHBondContact CD1-O 3.32Å; V115-A146 HydrophobicContact CG2-CB 4.33Å; M142-A146 PolarHBondContact O-N 3.46Å; M142-A146 VanDerWaalsContact O-N 3.1Å; I143-A146 WeakPolarHBondContact O-CB 3.38Å; I143-A146 PolarHBondContact O-N 3.49Å; A146-T148 PolarHBondContact O-N 3.43Å; A146-L149 PolarHBondContact O-N 3.44Å; A146-S150 PolarHBondContact O-N 3.05Å; A146-S150 PolarHBondContact O-OG 3.19Å |
| 147 | W | 97.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 178.8 | -76.6 | 94.7 | 0 | 0 | 0 | 112.9 | S64 I67 L71 A108 I143 V145 S150 V151 | S64-W147 PolarHBondContact OG-NE1 3.29Å; I67-W147 HydrophobicContact CB-CZ2 4.47Å; I67-W147 HydrophobicContact CG2-CH2 4.05Å; I67-W147 HydrophobicContact CG2-CZ2 4.05Å; L71-W147 HydrophobicContact CD1-CH2 3.64Å; L71-W147 HydrophobicContact CD1-CZ3 3.73Å; A108-W147 HydrophobicContact CB-CE3 4.28Å; A108-W147 HydrophobicContact CB-CZ3 4.24Å; I143-W147 VanDerWaalsContact CG2-CD1 3.49Å; I143-W147 PolarHBondContact O-N 3.28Å; V145-W147 PolarHBondContact O-N 2.9Å; W147-S150 PolarHBondContact O-N 2.98Å; W147-V151 WeakPolarHBondContact O-CG2 3.5Å; W147-V151 PolarHBondContact O-N 3.42Å |
| 148 | T | 95.4 | Very high | 91.9 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | S144 V145 A146 S150 V151 L152 | S144-T148 VanDerWaalsContact O-CB 3.27Å; S144-T148 WeakPolarHBondContact O-CB 3.36Å; S144-T148 PolarHBondContact O-N 2.88Å; S144-T148 PolarHBondContact O-OG1 2.73Å; V145-T148 PolarHBondContact O-N 2.94Å; A146-T148 PolarHBondContact O-N 3.43Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.83Å; T148-V151 PolarHBondContact O-N 3.45Å; T148-L152 HydrophobicContact CG2-CD1 3.86Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 WeakPolarHBondContact O-CB 3.39Å; T148-L152 WeakPolarHBondContact O-CG 3.27Å; T148-L152 PolarHBondContact O-N 3.47Å |
| 149 | L | 92.8 | Very high | 91 | Very high | 74 Ų | 74 | 52.7 Ų | 52.7 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.4 | -90.6 | 81.3 | 0 | 0 | 0 | 111.4 | L111 V145 A146 V151 L152 I153 | L111-L149 HydrophobicContact CD1-CB 3.78Å; V145-L149 HydrophobicContact CG1-CD1 3.6Å; V145-L149 WeakPolarHBondContact O-CD1 3.35Å; V145-L149 PolarHBondContact O-N 3.39Å; A146-L149 PolarHBondContact O-N 3.44Å; L149-V151 PolarHBondContact O-N 2.88Å; L149-L152 PolarHBondContact O-N 3.41Å; L149-I153 HydrophobicContact CB-CD1 4.39Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CD1 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.45Å; L149-I153 PolarHBondContact O-N 3.28Å |
| 150 | S | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 178 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | A108 A146 W147 T148 S154 | A108-S150 WeakPolarHBondContact CA-OG 3.15Å; A108-S150 PolarHBondContact N-OG 3.31Å; A108-S150 VanDerWaalsContact N-OG 3.12Å; A146-S150 PolarHBondContact O-N 3.05Å; A146-S150 PolarHBondContact O-OG 3.19Å; W147-S150 PolarHBondContact O-N 2.98Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.83Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 3.47Å; S150-S154 PolarHBondContact O-OG 3.07Å |
| 151 | V | 93.7 | Very high | 88.9 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | M104 W147 T148 L149 S154 F155 | M104-V151 HydrophobicContact CG-CG2 4.18Å; M104-V151 HydrophobicContact SD-CG2 3.73Å; W147-V151 WeakPolarHBondContact O-CG2 3.5Å; W147-V151 PolarHBondContact O-N 3.42Å; T148-V151 PolarHBondContact O-N 3.45Å; L149-V151 PolarHBondContact O-N 2.88Å; V151-S154 WeakPolarHBondContact CA-OG 3.22Å; V151-S154 PolarHBondContact O-N 3.47Å; V151-S154 PolarHBondContact O-OG 3.3Å; V151-S154 VanDerWaalsContact O-OG 3.06Å; V151-F155 HydrophobicContact CG1-CD2 4.12Å; V151-F155 WeakPolarHBondContact O-CB 3.42Å; V151-F155 PolarHBondContact O-N 3.15Å |
| 152 | L | 90.5 | Very high | 87.6 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | -178.9 | -68.8 | 171.8 | 0 | 0 | 0 | 111.9 | T148 L149 S154 I156 | T148-L152 HydrophobicContact CG2-CD1 3.86Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 WeakPolarHBondContact O-CB 3.39Å; T148-L152 WeakPolarHBondContact O-CG 3.27Å; T148-L152 PolarHBondContact O-N 3.47Å; L149-L152 PolarHBondContact O-N 3.41Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 2.9Å; L152-I156 HydrophobicContact CB-CD1 4.14Å; L152-I156 HydrophobicContact CD2-CD1 3.52Å; L152-I156 HydrophobicContact CD2-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 4.43Å; L152-I156 VanDerWaalsContact O-CB 3.32Å; L152-I156 WeakPolarHBondContact O-CB 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 3.33Å |
| 153 | I | 86.4 | Confident | 86.2 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -26.8 | -178.4 | -62.8 | 158.8 | 0 | 0 | 0 | 112.1 | T107 L149 P157 Y190 I197 S198 | T107-I153 HydrophobicContact CG2-CD1 4.39Å; L149-I153 HydrophobicContact CB-CD1 4.39Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CD1 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.45Å; L149-I153 PolarHBondContact O-N 3.28Å; I153-P157 VanDerWaalsContact O-CD 3.27Å; I153-P157 WeakPolarHBondContact O-CD 3.34Å; I153-P157 WeakPolarHBondContact O-CG 3.48Å; I153-Y190 PolarHBondContact O-OH 2.85Å; I153-I197 HydrophobicContact CD1-CB 4.36Å; I153-I197 HydrophobicContact CD1-CG2 3.39Å; I153-I197 HydrophobicContact CG1-CG2 4.11Å; I153-S198 WeakPolarHBondContact CG2-OG 3.37Å |
| 154 | S | 88.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -90 | -59.8 | -179.5 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | A100 M104 S150 V151 L152 P157 V158 | A100-S154 WeakPolarHBondContact O-CB 3.17Å; M104-S154 VanDerWaalsContact CB-OG 3.28Å; M104-S154 WeakPolarHBondContact CB-OG 3.2Å; S150-S154 WeakPolarHBondContact O-CB 3.49Å; S150-S154 PolarHBondContact O-N 3.47Å; S150-S154 PolarHBondContact O-OG 3.07Å; V151-S154 WeakPolarHBondContact CA-OG 3.22Å; V151-S154 PolarHBondContact O-N 3.47Å; V151-S154 PolarHBondContact O-OG 3.3Å; V151-S154 VanDerWaalsContact O-OG 3.06Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 2.9Å; S154-P157 WeakPolarHBondContact O-CD 3.26Å; S154-V158 VanDerWaalsContact O-CG2 3.22Å; S154-V158 WeakPolarHBondContact O-CG2 3.32Å; S154-V158 PolarHBondContact O-N 3.32Å |
| 155 | F | 86.9 | Confident | 82.8 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74 | -37 | -170.4 | -80.7 | -95.9 | 0 | 0 | 0 | 113.2 | A100 F101 M104 V151 V158 Q159 | A100-F155 HydrophobicContact CB-CD1 4.29Å; A100-F155 HydrophobicContact CB-CE1 4.14Å; A100-F155 HydrophobicContact CB-CE2 4.38Å; A100-F155 HydrophobicContact CB-CG 4.5Å; A100-F155 HydrophobicContact CB-CZ 4.19Å; F101-F155 HydrophobicContact CD1-CZ 4.25Å; F101-F155 AromaticContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CZ-CZ 4.24Å; M104-F155 HydrophobicContact CB-CE2 4.26Å; M104-F155 HydrophobicContact CG-CE2 4.33Å; M104-F155 HydrophobicContact SD-CD2 4.38Å; M104-F155 HydrophobicContact SD-CE2 3.64Å; V151-F155 HydrophobicContact CG1-CD2 4.12Å; V151-F155 WeakPolarHBondContact O-CB 3.42Å; V151-F155 PolarHBondContact O-N 3.15Å; F155-V158 PolarHBondContact O-N 3.44Å; F155-Q159 WeakPolarHBondContact O-CB 3.26Å; F155-Q159 WeakPolarHBondContact O-CG 3.34Å; F155-Q159 PolarHBondContact O-N 2.93Å |
| 156 | I | 85.6 | Confident | 80.7 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -52.4 | -178 | -64 | 174.3 | 0 | 0 | 0 | 111.1 | L152 V158 Q159 L160 | L152-I156 HydrophobicContact CB-CD1 4.14Å; L152-I156 HydrophobicContact CD2-CD1 3.52Å; L152-I156 HydrophobicContact CD2-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 4.43Å; L152-I156 VanDerWaalsContact O-CB 3.32Å; L152-I156 WeakPolarHBondContact O-CB 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 3.33Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.05Å; I156-Q159 PolarHBondContact O-N 3.37Å; I156-L160 HydrophobicContact CG2-CD1 3.67Å; I156-L160 HydrophobicContact CG2-CG 4.41Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.36Å; I156-L160 PolarHBondContact O-N 3.08Å |
| 157 | P | 79.7 | Confident | 78.5 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.5 | -26.8 | -177.4 | -22.9 | 39.6 | 0 | 0 | 0 | 113.2 | I153 S154 N161 W162 H163 Y190 | I153-P157 VanDerWaalsContact O-CD 3.27Å; I153-P157 WeakPolarHBondContact O-CD 3.34Å; I153-P157 WeakPolarHBondContact O-CG 3.48Å; S154-P157 WeakPolarHBondContact O-CD 3.26Å; P157-N161 PolarHBondContact O-N 2.99Å; P157-W162 PolarHBondContact O-N 3.4Å; P157-H163 PolarHBondContact O-N 3.44Å; P157-H163 PolarHBondContact O-ND1 3.45Å; P157-Y190 HydrophobicContact CB-CD2 3.72Å; P157-Y190 HydrophobicContact CB-CE2 3.16Å; P157-Y190 HydrophobicContact CG-CD2 4.28Å; P157-Y190 HydrophobicContact CG-CE2 3.52Å |
| 158 | V | 75.3 | Confident | 75.9 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.024 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72 | -49.3 | 175.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | N96 V99 A100 S154 F155 I156 L160 N161 H163 | N96-V158 HydrophobicContact CB-CG1 4.21Å; N96-V158 WeakPolarHBondContact O-CG1 3.25Å; V99-V158 HydrophobicContact CG1-CG2 4.48Å; A100-V158 HydrophobicContact CB-CB 4.15Å; A100-V158 HydrophobicContact CB-CG1 4.07Å; A100-V158 HydrophobicContact CB-CG2 4.06Å; S154-V158 VanDerWaalsContact O-CG2 3.22Å; S154-V158 WeakPolarHBondContact O-CG2 3.32Å; S154-V158 PolarHBondContact O-N 3.32Å; F155-V158 PolarHBondContact O-N 3.44Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.05Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.31Å; V158-N161 PolarHBondContact O-N 2.74Å; V158-H163 WeakPolarHBondContact CA-ND1 3.47Å |
| 159 | Q | 76.3 | Confident | 73.3 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 65% | 0.65 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.8 | -29.6 | -178.7 | -62.8 | -68.1 | 46.7 | 0 | 0 | 113 | F155 I156 N161 | F155-Q159 WeakPolarHBondContact O-CB 3.26Å; F155-Q159 WeakPolarHBondContact O-CG 3.34Å; F155-Q159 PolarHBondContact O-N 2.93Å; I156-Q159 PolarHBondContact O-N 3.37Å; Q159-N161 PolarHBondContact O-N 3.05Å |
| 160 | L | 75.4 | Confident | 71 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 2.3 | 172.7 | -63.3 | 177.3 | 0 | 0 | 0 | 113.2 | I156 V158 W162 | I156-L160 HydrophobicContact CG2-CD1 3.67Å; I156-L160 HydrophobicContact CG2-CG 4.41Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.36Å; I156-L160 PolarHBondContact O-N 3.08Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.31Å; L160-W162 HydrophobicContact CB-CD2 4.28Å; L160-W162 HydrophobicContact CB-CG 4.1Å; L160-W162 HydrophobicContact CD1-CD2 4.38Å; L160-W162 HydrophobicContact CD1-CE3 4.49Å; L160-W162 HydrophobicContact CD1-CH2 4.45Å; L160-W162 HydrophobicContact CD1-CZ2 4.33Å; L160-W162 VanDerWaalsContact O-CD1 3.28Å; L160-W162 PolarHBondContact O-N 3.05Å |
| 161 | N | 70.8 | Confident | 68.3 | Low | 86 Ų | 86 | 87.6 Ų | 87.6 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 14.4 | -175 | -65.3 | -67.7 | 0 | 0 | 0 | 115 | P157 V158 Q159 H163 K164 | P157-N161 PolarHBondContact O-N 2.99Å; V158-N161 PolarHBondContact O-N 2.74Å; Q159-N161 PolarHBondContact O-N 3.05Å; N161-H163 PolarHBondContact O-N 3.06Å; N161-K164 PolarHBondContact O-N 3.46Å; N161-K164 VanDerWaalsContact O-N 3.15Å |
| 162 | W | 68.3 | Low | 66 | Low | 175 Ų | 175 | 88.8 Ų | 88.8 | 66% | 0.663 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.8 | 179.1 | -75.5 | 3 | 0 | 0 | 0 | 113.7 | P157 L160 K164 | P157-W162 PolarHBondContact O-N 3.4Å; L160-W162 HydrophobicContact CB-CD2 4.28Å; L160-W162 HydrophobicContact CB-CG 4.1Å; L160-W162 HydrophobicContact CD1-CD2 4.38Å; L160-W162 HydrophobicContact CD1-CE3 4.49Å; L160-W162 HydrophobicContact CD1-CH2 4.45Å; L160-W162 HydrophobicContact CD1-CZ2 4.33Å; L160-W162 VanDerWaalsContact O-CD1 3.28Å; L160-W162 PolarHBondContact O-N 3.05Å; W162-K164 VanDerWaalsContact C-N 3.3Å |
| 163 | H | 66.3 | Low | 63.5 | Low | 12 Ų | 12 | 90.8 Ų | 90.8 | 6% | 0.056 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.7 | 174.7 | 72.6 | -77.1 | 0 | 0 | 0 | 112.7 | P157 V158 N161 L186 N187 Y190 | P157-H163 PolarHBondContact O-N 3.44Å; P157-H163 PolarHBondContact O-ND1 3.45Å; V158-H163 WeakPolarHBondContact CA-ND1 3.47Å; N161-H163 PolarHBondContact O-N 3.06Å; H163-L186 HydrophobicContact CB-CD2 3.93Å; H163-L186 CarbonylContact O-C 3.56Å; H163-L186 WeakPolarHBondContact O-CA 3.27Å; H163-N187 PolarHBondContact O-N 3.44Å; H163-Y190 HydrophobicContact CB-CD1 3.75Å; H163-Y190 HydrophobicContact CB-CE1 3.71Å; H163-Y190 HydrophobicContact CB-CG 4.34Å |
| 164 | K | 64.2 | Low | 61.3 | Low | 103 Ų | 103 | 101.2 Ų | 101.2 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 131.8 | -178.2 | -63.8 | -173.2 | 177 | -175.6 | 0 | 110.9 | N161 W162 A166 | N161-K164 PolarHBondContact O-N 3.46Å; N161-K164 VanDerWaalsContact O-N 3.15Å; W162-K164 VanDerWaalsContact C-N 3.3Å; K164-A166 PolarHBondContact O-N 2.91Å |
| 165 | A | 59.2 | Low | 58.8 | Low | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 57% | 0.569 | S | S | . | * | trans | -61.2 | 130.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V167 S185 | A165-V167 PolarHBondContact O-N 3.37Å; A165-S185 PolarHBondContact N-O 3.38Å | ||
| 166 | A | 51.3 | Low | 56.6 | Low | 96 Ų | 96 | 110.9 Ų | 110.9 | 79% | 0.793 | 60% | 0.602 | S | S | * | * | trans | -66.4 | 97.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | K164 L168 | K164-A166 PolarHBondContact O-N 2.91Å; A166-L168 PolarHBondContact O-N 3.44Å; A166-L168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | V | 50.3 | Low | 54.7 | Low | 127 Ų | 127 | 114.3 Ų | 114.3 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | trans | -66.7 | 108.4 | 165.2 | -177 | 0 | 0 | 0 | 0 | 104.8 | A165 E169 | A165-V167 PolarHBondContact O-N 3.37Å; V167-E169 PolarHBondContact O-N 3.41Å | ||
| 168 | L | 43.1 | Very low | 53.1 | Low | 152 Ų | 152 | 118.7 Ų | 118.7 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | trans | -49.7 | 115.1 | 165.7 | -85.5 | 160.1 | 0 | 0 | 0 | 106.8 | A166 L170 | A166-L168 PolarHBondContact O-N 3.44Å; A166-L168 VanDerWaalsContact O-N 3.09Å; L168-L170 PolarHBondContact O-N 3.5Å | ||
| 169 | E | 40.3 | Very low | 51.8 | Low | 194 Ų | 194 | 123.5 Ų | 123.5 | 91% | 0.907 | 68% | 0.68 | S | S | * | * | trans | -60.4 | 79.4 | 167.6 | -70.1 | -174.9 | 160.3 | 0 | 0 | 108.5 | V167 N171 | V167-E169 PolarHBondContact O-N 3.41Å; E169-N171 PolarHBondContact O-N 2.97Å | ||
| 170 | L | 43.3 | Very low | 50.8 | Low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | trans | -83.2 | 92.5 | 166.6 | -133.9 | 97.1 | 0 | 0 | 0 | 107 | L168 | L168-L170 PolarHBondContact O-N 3.5Š| ||
| 171 | N | 40 | Very low | 50 | Low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | 53.8 | 93.1 | 159.5 | -68.7 | -16.4 | 0 | 0 | 0 | 117.8 | E169 T173 | E169-N171 PolarHBondContact O-N 2.97Å; N171-T173 VanDerWaalsContact C-N 3.31Å; N171-T173 PolarHBondContact O-N 3.48Å; N171-T173 PolarHBondContact O-OG1 3.23Å | ||
| 172 | G | 44.3 | Very low | 49.8 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 89% | 0.887 | 66% | 0.663 | S | S | * | * | 54.6 | 33 | 110.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 173 | T | 38.1 | Very low | 49.3 | Very low | 128 Ų | 128 | 114 Ų | 114 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | trans | -132.1 | 113 | 165.5 | 9.3 | 0 | 0 | 0 | 0 | 109 | N171 G175 | N171-T173 VanDerWaalsContact C-N 3.31Å; N171-T173 PolarHBondContact O-N 3.48Å; N171-T173 PolarHBondContact O-OG1 3.23Å; T173-G175 PolarHBondContact O-N 2.87Å | ||
| 174 | Y | 41.4 | Very low | 48.7 | Very low | 245 Ų | 245 | 115.8 Ų | 115.8 | 96% | 0.961 | 66% | 0.662 | S | S | * | * | trans | -62.7 | 77.1 | 169 | -68.1 | -90.4 | 0 | 0 | 0 | 109.4 | ||||
| 175 | G | 34.8 | Very low | 48.3 | Very low | 58 Ų | 58 | 115.2 Ų | 115.2 | 60% | 0.598 | 67% | 0.671 | S | S | * | * | trans | -93.2 | 116.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | T173 L177 | T173-G175 PolarHBondContact O-N 2.87Å; G175-L177 VanDerWaalsContact C-N 3.27Å; G175-L177 PolarHBondContact O-N 3.42Å | ||
| 176 | E | 40.4 | Very low | 48.5 | Very low | 200 Ų | 200 | 114 Ų | 114 | 94% | 0.935 | 66% | 0.657 | S | S | * | * | trans | -53.6 | 97.5 | 163.8 | -71.4 | -177.4 | 156.1 | 0 | 0 | 107.7 | ||||
| 177 | L | 46.9 | Very low | 49.5 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | trans | -62.4 | 139.8 | 166.9 | -137.4 | 76 | 0 | 0 | 0 | 106.4 | G175 | G175-L177 VanDerWaalsContact C-N 3.27Å; G175-L177 PolarHBondContact O-N 3.42Å | ||
| 178 | P | 45.3 | Very low | 50.7 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | trans | -55.3 | 142.5 | -178.4 | -18.1 | 29.5 | 0 | 0 | 0 | 109.7 | D180 | P178-D180 PolarHBondContact O-N 2.75Š| ||
| 179 | P | 47.3 | Very low | 52.4 | Low | 106 Ų | 106 | 109.3 Ų | 109.3 | 69% | 0.688 | 61% | 0.61 | S | S | * | * | trans | -63.6 | 115.1 | -172.8 | -8 | 21.4 | 0 | 0 | 0 | 110.2 | ||||
| 180 | D | 55.1 | Low | 54.3 | Low | 129 Ų | 129 | 100.8 Ų | 100.8 | 69% | 0.69 | 57% | 0.57 | S | S | * | * | trans | 38.3 | 86.3 | 133.5 | -60.1 | -27.7 | 0 | 0 | 0 | 116.3 | W89 P178 C182 | W89-D180 WeakPolarHBondContact CB-O 3.36Å; P178-D180 PolarHBondContact O-N 2.75Å; D180-C182 PolarHBondContact O-N 3.47Å | ||
| 181 | N | 59 | Low | 56.1 | Low | 89 Ų | 89 | 93.6 Ų | 93.6 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | trans | -65 | 125.4 | 142 | -79.9 | 0.2 | 0 | 0 | 0 | 106.4 | D183 | N181-D183 HydrophobicContact CB-CB 4.26Å; N181-D183 VanDerWaalsContact CB-OD2 3.31Å; N181-D183 WeakPolarHBondContact CB-OD2 3.32Å; N181-D183 PolarHBondContact ND2-OD2 2.91Å; N181-D183 PolarHBondContact O-N 2.88Å | ||
| 182 | C | 67.6 | Low | 58.2 | Low | 8 Ų | 8 | 89.9 Ų | 89.9 | 5% | 0.054 | 51% | 0.512 | C | S | . | . | trans | -70.7 | 54.1 | 168.2 | -175 | 0 | 0 | 0 | 0 | 109.6 | W89 C95 D180 | W89-C182 HydrophobicContact CB-CB 3.71Å; W89-C182 HydrophobicContact CD2-CB 3.35Å; W89-C182 HydrophobicContact CE3-CB 3.51Å; W89-C182 HydrophobicContact CG-CB 3.45Å; W89-C182 VanDerWaalsContact CG-CB 3.45Å; W89-C182 HydrophobicContact CZ3-CB 4.28Å; C95-C182 WeakPolarHBondContact CA-SG 3.43Å; C95-C182 HydrophobicContact CB-CB 3.83Å; C95-C182 WeakPolarHBondContact CB-SG 3.34Å; C95-C182 VanDerWaalsContact SG-CA 3.55Å; C95-C182 WeakPolarHBondContact SG-CB 3.49Å; C95-C182 CovalentContact SG-SG 2.03Å; C95-C182 PolarHBondContact SG-SG 2.91Å; D180-C182 PolarHBondContact O-N 3.47Å | ||
| 183 | D | 57.7 | Low | 60.1 | Low | 64 Ų | 64 | 88.1 Ų | 88.1 | 34% | 0.342 | 49% | 0.486 | S | S | . | . | trans | -90.8 | 130.7 | 174.3 | -73.3 | -25.4 | 0 | 0 | 0 | 106.7 | K80 N181 S185 | K80-D183 IonicContact NZ-OD1 2.71Å; N181-D183 HydrophobicContact CB-CB 4.26Å; N181-D183 VanDerWaalsContact CB-OD2 3.31Å; N181-D183 WeakPolarHBondContact CB-OD2 3.32Å; N181-D183 PolarHBondContact ND2-OD2 2.91Å; N181-D183 PolarHBondContact O-N 2.88Å; D183-S185 PolarHBondContact O-N 3.44Å | ||
| 184 | S | 54.1 | Low | 62.2 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 36% | 0.357 | 45% | 0.453 | S | S | . | . | trans | -66.1 | 74.3 | -179.2 | 49 | 0 | 0 | 0 | 0 | 110 | L186 | S184-L186 WeakPolarHBondContact O-CG 3.39Å; S184-L186 PolarHBondContact O-N 2.94Å | ||
| 185 | S | 54.9 | Low | 64.5 | Low | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | trans | -70.1 | 68.3 | 167.1 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | A165 D183 | A165-S185 PolarHBondContact N-O 3.38Å; D183-S185 PolarHBondContact O-N 3.44Å | ||
| 186 | L | 64.3 | Low | 67 | Low | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 135.6 | -174.7 | -63 | 178.4 | 0 | 0 | 0 | 109.6 | H163 S184 R188 Y190 A191 | H163-L186 HydrophobicContact CB-CD2 3.93Å; H163-L186 CarbonylContact O-C 3.56Å; H163-L186 WeakPolarHBondContact O-CA 3.27Å; S184-L186 WeakPolarHBondContact O-CG 3.39Å; S184-L186 PolarHBondContact O-N 2.94Å; L186-R188 PolarHBondContact O-N 2.98Å; L186-Y190 HydrophobicContact CB-CD1 4.19Å; L186-Y190 HydrophobicContact CD1-CD1 4.21Å; L186-Y190 HydrophobicContact CD1-CE1 4.2Å; L186-Y190 HydrophobicContact CD2-CD1 3.75Å; L186-Y190 HydrophobicContact CD2-CE1 3.74Å; L186-Y190 HydrophobicContact CG-CD1 4.24Å; L186-Y190 HydrophobicContact CG-CE1 4.46Å; L186-A191 HydrophobicContact CB-CB 3.92Å; L186-A191 HydrophobicContact CD1-CB 4.44Å |
| 187 | N | 71.4 | Confident | 69.2 | Low | 58 Ų | 58 | 66.4 Ų | 66.4 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | trans | -52.3 | 134.3 | 167.5 | -177.1 | -9.3 | 0 | 0 | 0 | 109.4 | H163 T189 Y190 A191 | H163-N187 PolarHBondContact O-N 3.44Å; N187-T189 PolarHBondContact O-N 2.83Å; N187-T189 VanDerWaalsContact O-N 3.14Å; N187-T189 PolarHBondContact OD1-N 3.27Å; N187-Y190 CarbonylContact O-C 3.58Å; N187-Y190 WeakPolarHBondContact O-CA 3.41Å; N187-Y190 WeakPolarHBondContact O-CB 3.43Å; N187-Y190 PolarHBondContact O-N 3.22Å; N187-A191 PolarHBondContact O-N 3Å | ||
| 188 | R | 76.7 | Confident | 71.1 | Confident | 118 Ų | 118 | 59 Ų | 59 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -45.2 | -48.5 | 179.1 | -65.1 | 173.6 | -177.5 | 162.2 | -1.3 | 111.9 | L186 Y190 A191 I192 P289 E292 | L186-R188 PolarHBondContact O-N 2.98Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 2.94Å; R188-A191 PolarHBondContact O-N 3.39Å; R188-I192 WeakPolarHBondContact O-CD1 3.29Å; R188-I192 VanDerWaalsContact O-CG1 3.22Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 2.89Å; R188-I192 VanDerWaalsContact O-N 3.12Å; R188-P289 HydrophobicContact CB-CB 4.18Å; R188-P289 HydrophobicContact CG-CB 3.57Å; R188-P289 WeakPolarHBondContact CG-O 3.36Å; R188-P289 PolarHBondContact NE-O 3.45Å; R188-E292 IonicContact NH2-OE1 2.77Å |
| 189 | T | 78.6 | Confident | 73.2 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 62% | 0.62 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | N187 S193 | N187-T189 PolarHBondContact O-N 2.83Å; N187-T189 VanDerWaalsContact O-N 3.14Å; N187-T189 PolarHBondContact OD1-N 3.27Å; T189-S193 VanDerWaalsContact O-CB 3.24Å; T189-S193 WeakPolarHBondContact O-CB 3.32Å; T189-S193 PolarHBondContact O-N 2.9Å; T189-S193 PolarHBondContact O-OG 3Å |
| 190 | Y | 79.9 | Confident | 75.3 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.9 | -46.4 | 178.4 | 178.6 | -107.2 | 0 | 0 | 0 | 112 | I103 I153 P157 H163 L186 N187 R188 I192 S193 S194 | I103-Y190 HydrophobicContact CD1-CE1 4.23Å; I103-Y190 WeakPolarHBondContact CD1-OH 3.41Å; I153-Y190 PolarHBondContact O-OH 2.85Å; P157-Y190 HydrophobicContact CB-CD2 3.72Å; P157-Y190 HydrophobicContact CB-CE2 3.16Å; P157-Y190 HydrophobicContact CG-CD2 4.28Å; P157-Y190 HydrophobicContact CG-CE2 3.52Å; H163-Y190 HydrophobicContact CB-CD1 3.75Å; H163-Y190 HydrophobicContact CB-CE1 3.71Å; H163-Y190 HydrophobicContact CB-CG 4.34Å; L186-Y190 HydrophobicContact CB-CD1 4.19Å; L186-Y190 HydrophobicContact CD1-CD1 4.21Å; L186-Y190 HydrophobicContact CD1-CE1 4.2Å; L186-Y190 HydrophobicContact CD2-CD1 3.75Å; L186-Y190 HydrophobicContact CD2-CE1 3.74Å; L186-Y190 HydrophobicContact CG-CD1 4.24Å; L186-Y190 HydrophobicContact CG-CE1 4.46Å; N187-Y190 CarbonylContact O-C 3.58Å; N187-Y190 WeakPolarHBondContact O-CA 3.41Å; N187-Y190 WeakPolarHBondContact O-CB 3.43Å; N187-Y190 PolarHBondContact O-N 3.22Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 2.94Å; Y190-I192 VanDerWaalsContact C-N 3.31Å; Y190-I192 PolarHBondContact O-N 2.92Å; Y190-S193 PolarHBondContact O-N 3.22Å; Y190-S193 PolarHBondContact O-OG 3.46Å; Y190-S194 WeakPolarHBondContact O-CB 3.39Å; Y190-S194 PolarHBondContact O-N 2.92Å |
| 191 | A | 80.9 | Confident | 77 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L186 N187 R188 S195 P289 | L186-A191 HydrophobicContact CB-CB 3.92Å; L186-A191 HydrophobicContact CD1-CB 4.44Å; N187-A191 PolarHBondContact O-N 3Å; R188-A191 PolarHBondContact O-N 3.39Å; A191-S195 WeakPolarHBondContact O-CB 3.31Å; A191-S195 PolarHBondContact O-N 3.36Å; A191-S195 PolarHBondContact O-OG 3.06Å; A191-P289 HydrophobicContact CB-CG 3.76Å |
| 192 | I | 84.1 | Confident | 78.5 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70 | -52.4 | 179.3 | -61.4 | 162.4 | 0 | 0 | 0 | 111 | R188 Y190 S194 S195 L196 F290 | R188-I192 WeakPolarHBondContact O-CD1 3.29Å; R188-I192 VanDerWaalsContact O-CG1 3.22Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 2.89Å; R188-I192 VanDerWaalsContact O-N 3.12Å; Y190-I192 VanDerWaalsContact C-N 3.31Å; Y190-I192 PolarHBondContact O-N 2.92Å; I192-S194 PolarHBondContact O-N 3.38Å; I192-S195 PolarHBondContact O-N 3.47Å; I192-L196 HydrophobicContact CG2-CD1 3.89Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.39Å; I192-L196 PolarHBondContact O-N 2.96Å; I192-F290 HydrophobicContact CD1-CE2 3.68Å; I192-F290 HydrophobicContact CD1-CZ 3.47Å; I192-F290 VanDerWaalsContact CD1-CZ 3.47Å; I192-F290 HydrophobicContact CG1-CE2 4.26Å |
| 193 | S | 84.3 | Confident | 79.6 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | -176.3 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | T189 Y190 L196 I197 | T189-S193 VanDerWaalsContact O-CB 3.24Å; T189-S193 WeakPolarHBondContact O-CB 3.32Å; T189-S193 PolarHBondContact O-N 2.9Å; T189-S193 PolarHBondContact O-OG 3Å; Y190-S193 PolarHBondContact O-N 3.22Å; Y190-S193 PolarHBondContact O-OG 3.46Å; S193-L196 PolarHBondContact O-N 3.5Å; S193-I197 WeakPolarHBondContact O-CG1 3.11Å; S193-I197 PolarHBondContact O-N 3.27Å; S193-I197 VanDerWaalsContact O-N 3.12Å |
| 194 | S | 82.7 | Confident | 81.2 | Confident | 14 Ų | 14 | 46 Ų | 46 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | Y190 I192 L196 I197 S198 | Y190-S194 WeakPolarHBondContact O-CB 3.39Å; Y190-S194 PolarHBondContact O-N 2.92Å; I192-S194 PolarHBondContact O-N 3.38Å; S194-L196 VanDerWaalsContact C-N 3.35Å; S194-L196 PolarHBondContact O-N 3.02Å; S194-I197 PolarHBondContact O-N 2.81Å; S194-S198 WeakPolarHBondContact O-CB 3.5Å; S194-S198 PolarHBondContact O-N 3.35Å; S194-S198 PolarHBondContact O-OG 3.27Å |
| 195 | S | 88.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | A191 I192 F199 Y200 N285 | A191-S195 WeakPolarHBondContact O-CB 3.31Å; A191-S195 PolarHBondContact O-N 3.36Å; A191-S195 PolarHBondContact O-OG 3.06Å; I192-S195 PolarHBondContact O-N 3.47Å; S195-F199 WeakPolarHBondContact O-CA 3.41Å; S195-F199 WeakPolarHBondContact O-CB 3.23Å; S195-F199 PolarHBondContact O-N 3.05Å; S195-Y200 WeakPolarHBondContact O-CD2 3.47Å; S195-Y200 PolarHBondContact O-N 3.13Å; S195-Y200 VanDerWaalsContact O-N 3.12Å; S195-N285 PolarHBondContact OG-ND2 3.39Å |
| 196 | L | 88.7 | Confident | 84.6 | Confident | 81 Ų | 81 | 42.9 Ų | 42.9 | 42% | 0.424 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -61.3 | -50.2 | 177.1 | -76.9 | 171.5 | 0 | 0 | 0 | 112 | I192 S193 S194 Y200 I201 | I192-L196 HydrophobicContact CG2-CD1 3.89Å; I192-L196 HydrophobicContact CG2-CG 4.37Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.39Å; I192-L196 PolarHBondContact O-N 2.96Å; S193-L196 PolarHBondContact O-N 3.5Å; S194-L196 VanDerWaalsContact C-N 3.35Å; S194-L196 PolarHBondContact O-N 3.02Å; L196-Y200 HydrophobicContact CD2-CD2 3.97Å; L196-Y200 HydrophobicContact CD2-CG 4.3Å; L196-Y200 HydrophobicContact CG-CD2 4.47Å; L196-Y200 PolarHBondContact O-N 3.05Å; L196-I201 WeakPolarHBondContact O-CB 3.18Å; L196-I201 WeakPolarHBondContact O-CG1 3.3Å; L196-I201 PolarHBondContact O-N 3.03Å |
| 197 | I | 85.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 41% | 0.41 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -73.5 | -42.1 | -175.7 | -58.8 | 168.4 | 0 | 0 | 0 | 111 | I153 S193 S194 P202 | I153-I197 HydrophobicContact CD1-CB 4.36Å; I153-I197 HydrophobicContact CD1-CG2 3.39Å; I153-I197 HydrophobicContact CG1-CG2 4.11Å; S193-I197 WeakPolarHBondContact O-CG1 3.11Å; S193-I197 PolarHBondContact O-N 3.27Å; S193-I197 VanDerWaalsContact O-N 3.12Å; S194-I197 PolarHBondContact O-N 2.81Å; I197-P202 VanDerWaalsContact O-CD 3.25Å; I197-P202 WeakPolarHBondContact O-CD 3.38Å |
| 198 | S | 85.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -84.9 | -22.9 | -171.9 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | T107 I110 I153 S194 | T107-S198 PolarHBondContact OG1-OG 3.06Å; I110-S198 VanDerWaalsContact CG2-O 3.23Å; I110-S198 WeakPolarHBondContact CG2-O 3.25Å; I153-S198 WeakPolarHBondContact CG2-OG 3.37Å; S194-S198 WeakPolarHBondContact O-CB 3.5Å; S194-S198 PolarHBondContact O-N 3.35Å; S194-S198 PolarHBondContact O-OG 3.27Å |
| 199 | F | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -128.7 | -60 | -176.3 | 177.3 | -105.2 | 0 | 0 | 0 | 113.9 | I110 S195 I201 P202 V203 F274 W278 L279 F282 | I110-F199 HydrophobicContact CD1-CB 4.5Å; I110-F199 HydrophobicContact CD1-CD2 4.24Å; S195-F199 WeakPolarHBondContact O-CA 3.41Å; S195-F199 WeakPolarHBondContact O-CB 3.23Å; S195-F199 PolarHBondContact O-N 3.05Å; F199-I201 PolarHBondContact O-N 3.05Å; F199-P202 VanDerWaalsContact O-CD 3.32Å; F199-P202 WeakPolarHBondContact O-CD 3.29Å; F199-V203 HydrophobicContact CD1-CG2 4.35Å; F199-V203 HydrophobicContact CD2-CG2 3.71Å; F199-V203 HydrophobicContact CE1-CG2 4.12Å; F199-V203 HydrophobicContact CE2-CG2 3.43Å; F199-V203 VanDerWaalsContact CE2-CG2 3.43Å; F199-V203 HydrophobicContact CG-CG2 4.16Å; F199-V203 HydrophobicContact CZ-CG2 3.67Å; F199-V203 WeakPolarHBondContact O-CB 3.39Å; F199-V203 WeakPolarHBondContact O-CG2 3.16Å; F199-V203 PolarHBondContact O-N 3.01Å; F199-F274 HydrophobicContact CD2-CZ 4.36Å; F199-F274 HydrophobicContact CE2-CE1 4.31Å; F199-F274 HydrophobicContact CE2-CZ 4.24Å; F199-W278 HydrophobicContact CD2-CB 4.11Å; F199-W278 HydrophobicContact CE2-CB 3.44Å; F199-W278 VanDerWaalsContact CE2-CB 3.44Å; F199-W278 HydrophobicContact CE2-CG 4.46Å; F199-W278 HydrophobicContact CZ-CB 4.15Å; F199-L279 HydrophobicContact CE1-CD1 3.87Å; F199-L279 HydrophobicContact CZ-CB 4.06Å; F199-L279 HydrophobicContact CZ-CD1 4.11Å; F199-F282 HydrophobicContact CB-CD1 3.71Å; F199-F282 HydrophobicContact CB-CD2 3.65Å; F199-F282 HydrophobicContact CB-CE1 3.59Å; F199-F282 HydrophobicContact CB-CE2 3.52Å; F199-F282 HydrophobicContact CB-CG 3.75Å; F199-F282 HydrophobicContact CB-CZ 3.5Å; F199-F282 VanDerWaalsContact CB-CZ 3.5Å; F199-F282 HydrophobicContact CD1-CB 3.55Å; F199-F282 HydrophobicContact CD1-CD1 4.15Å; F199-F282 AromaticContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CE2 4.27Å; F199-F282 AromaticContact CD1-CG 3.46Å; F199-F282 HydrophobicContact CD1-CG 3.46Å; F199-F282 VanDerWaalsContact CD1-CG 3.46Å; F199-F282 AromaticContact CD2-CD2 3.27Å; F199-F282 HydrophobicContact CD2-CD2 3.27Å; F199-F282 AromaticContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CG 4.07Å; F199-F282 HydrophobicContact CD2-CZ 4.23Å; F199-F282 HydrophobicContact CE1-CB 3.75Å; F199-F282 AromaticContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CG 4.03Å; F199-F282 AromaticContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CE2 4.11Å; F199-F282 HydrophobicContact CG-CB 4.11Å; F199-F282 HydrophobicContact CG-CD1 4Å; F199-F282 AromaticContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CE1 4.23Å; F199-F282 AromaticContact CG-CE2 3.46Å; F199-F282 HydrophobicContact CG-CE2 3.46Å; F199-F282 VanDerWaalsContact CG-CE2 3.46Å; F199-F282 AromaticContact CG-CG 3.48Å; F199-F282 HydrophobicContact CG-CG 3.48Å; F199-F282 VanDerWaalsContact CG-CG 3.48Å; F199-F282 AromaticContact CG-CZ 4Å; F199-F282 HydrophobicContact CG-CZ 4Å; F199-F282 HydrophobicContact CZ-CB 4.46Å; F199-F282 HydrophobicContact CZ-CD2 4.01Å |
| 200 | Y | 91.4 | Very high | 87.3 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 27% | 0.271 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -65.7 | -41.2 | -169.6 | -67.9 | -74.3 | 0 | 0 | 0 | 113.4 | S195 L196 A204 F282 | S195-Y200 WeakPolarHBondContact O-CD2 3.47Å; S195-Y200 PolarHBondContact O-N 3.13Å; S195-Y200 VanDerWaalsContact O-N 3.12Å; L196-Y200 HydrophobicContact CD2-CD2 3.97Å; L196-Y200 HydrophobicContact CD2-CG 4.3Å; L196-Y200 HydrophobicContact CG-CD2 4.47Å; L196-Y200 PolarHBondContact O-N 3.05Å; Y200-A204 WeakPolarHBondContact O-CB 3.17Å; Y200-A204 PolarHBondContact O-N 3.34Å; Y200-F282 PolarHBondContact OH-O 3.05Å |
| 201 | I | 91.8 | Very high | 87.5 | Confident | 92 Ų | 92 | 41 Ų | 41 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64 | -52.4 | 175.6 | -69.3 | 172 | 0 | 0 | 0 | 110.9 | L196 F199 V203 A204 I205 | L196-I201 WeakPolarHBondContact O-CB 3.18Å; L196-I201 WeakPolarHBondContact O-CG1 3.3Å; L196-I201 PolarHBondContact O-N 3.03Å; F199-I201 PolarHBondContact O-N 3.05Å; I201-V203 PolarHBondContact O-N 3.12Å; I201-A204 PolarHBondContact O-N 2.97Å; I201-I205 HydrophobicContact CG2-CD1 3.99Å; I201-I205 WeakPolarHBondContact O-CG1 3.34Å; I201-I205 PolarHBondContact O-N 3.21Å |
| 202 | P | 90.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.9 | -48.1 | 173.2 | -30.7 | 36.3 | 0 | 0 | 0 | 113.4 | I110 L111 C114 I197 F199 A204 I205 M206 | I110-P202 HydrophobicContact CG2-CB 3.69Å; I110-P202 HydrophobicContact CG2-CG 4.11Å; L111-P202 HydrophobicContact CD2-CB 4.45Å; L111-P202 HydrophobicContact CD2-CG 3.68Å; C114-P202 HydrophobicContact CB-CB 4.07Å; I197-P202 VanDerWaalsContact O-CD 3.25Å; I197-P202 WeakPolarHBondContact O-CD 3.38Å; F199-P202 VanDerWaalsContact O-CD 3.32Å; F199-P202 WeakPolarHBondContact O-CD 3.29Å; P202-A204 VanDerWaalsContact C-N 3.35Å; P202-A204 PolarHBondContact O-N 3.31Å; P202-I205 WeakPolarHBondContact O-CB 3.09Å; P202-I205 PolarHBondContact O-N 3.43Å; P202-M206 WeakPolarHBondContact O-CG 3.28Å; P202-M206 PolarHBondContact O-N 3.32Å |
| 203 | V | 89.8 | Confident | 87.7 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 178.1 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | F199 I201 I205 M206 I207 F274 V275 | F199-V203 HydrophobicContact CD1-CG2 4.35Å; F199-V203 HydrophobicContact CD2-CG2 3.71Å; F199-V203 HydrophobicContact CE1-CG2 4.12Å; F199-V203 HydrophobicContact CE2-CG2 3.43Å; F199-V203 VanDerWaalsContact CE2-CG2 3.43Å; F199-V203 HydrophobicContact CG-CG2 4.16Å; F199-V203 HydrophobicContact CZ-CG2 3.67Å; F199-V203 WeakPolarHBondContact O-CB 3.39Å; F199-V203 WeakPolarHBondContact O-CG2 3.16Å; F199-V203 PolarHBondContact O-N 3.01Å; I201-V203 PolarHBondContact O-N 3.12Å; V203-I205 PolarHBondContact O-N 3.45Å; V203-M206 WeakPolarHBondContact O-CB 3.32Å; V203-M206 PolarHBondContact O-N 2.88Å; V203-I207 HydrophobicContact CG1-CD1 3.63Å; V203-I207 HydrophobicContact CG1-CG1 4.24Å; V203-I207 VanDerWaalsContact O-CG1 3.3Å; V203-I207 WeakPolarHBondContact O-CG1 3.34Å; V203-I207 PolarHBondContact O-N 3.37Å; V203-F274 HydrophobicContact CG2-CE1 3.74Å; V203-F274 HydrophobicContact CG2-CZ 4.46Å; V203-V275 HydrophobicContact CG1-CG2 4.32Å |
| 204 | A | 91.3 | Very high | 87.5 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y200 I201 P202 M206 I207 V208 | Y200-A204 WeakPolarHBondContact O-CB 3.17Å; Y200-A204 PolarHBondContact O-N 3.34Å; I201-A204 PolarHBondContact O-N 2.97Å; P202-A204 VanDerWaalsContact C-N 3.35Å; P202-A204 PolarHBondContact O-N 3.31Å; A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.13Å; A204-I207 PolarHBondContact O-N 3.31Å; A204-V208 WeakPolarHBondContact O-CB 3.46Å; A204-V208 VanDerWaalsContact O-CG2 3.28Å; A204-V208 WeakPolarHBondContact O-CG2 3.15Å; A204-V208 PolarHBondContact O-N 3.49Å |
| 205 | I | 91.1 | Very high | 87.6 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 36% | 0.359 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.6 | -65.7 | 166.4 | 0 | 0 | 0 | 110.3 | V118 I201 P202 V203 V208 T209 | V118-I205 HydrophobicContact CG2-CG2 3.91Å; I201-I205 HydrophobicContact CG2-CD1 3.99Å; I201-I205 WeakPolarHBondContact O-CG1 3.34Å; I201-I205 PolarHBondContact O-N 3.21Å; P202-I205 WeakPolarHBondContact O-CB 3.09Å; P202-I205 PolarHBondContact O-N 3.43Å; V203-I205 PolarHBondContact O-N 3.45Å; I205-V208 PolarHBondContact O-N 3.14Å; I205-T209 HydrophobicContact CG2-CG2 4.2Å; I205-T209 WeakPolarHBondContact O-CB 3.49Å; I205-T209 VanDerWaalsContact O-CG2 3.27Å; I205-T209 WeakPolarHBondContact O-CG2 3.25Å; I205-T209 PolarHBondContact O-N 3.13Å; I205-T209 PolarHBondContact O-OG1 3.32Å |
| 206 | M | 88.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 177.6 | -65.4 | 166.4 | 69.5 | 0 | 0 | 111 | L113 C114 S117 P202 V203 A204 V208 T209 Y210 M271 F274 | L113-M206 HydrophobicContact CB-CE 4.04Å; C114-M206 HydrophobicContact CB-CG 4.13Å; C114-M206 HydrophobicContact CB-SD 4.13Å; S117-M206 WeakPolarHBondContact OG-CG 3.33Å; P202-M206 WeakPolarHBondContact O-CG 3.28Å; P202-M206 PolarHBondContact O-N 3.32Å; V203-M206 WeakPolarHBondContact O-CB 3.32Å; V203-M206 PolarHBondContact O-N 2.88Å; A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.13Å; M206-V208 PolarHBondContact O-N 2.88Å; M206-T209 WeakPolarHBondContact CA-OG1 3.29Å; M206-T209 PolarHBondContact O-N 3.21Å; M206-T209 PolarHBondContact O-OG1 3.02Å; M206-Y210 VanDerWaalsContact O-CB 3.29Å; M206-Y210 WeakPolarHBondContact O-CB 3.19Å; M206-Y210 VanDerWaalsContact O-CD2 3.22Å; M206-Y210 WeakPolarHBondContact O-CD2 3.24Å; M206-Y210 PolarHBondContact O-N 3.02Å; M206-M271 HydrophobicContact CE-CE 3.45Å; M206-M271 VanDerWaalsContact CE-CE 3.45Å; M206-M271 HydrophobicContact CE-SD 3.11Å; M206-M271 WeakPolarHBondContact CE-SD 3.37Å; M206-M271 HydrophobicContact CG-CE 4.45Å; M206-F274 HydrophobicContact CE-CD1 3.48Å; M206-F274 VanDerWaalsContact CE-CD1 3.48Å; M206-F274 HydrophobicContact CE-CE1 3.72Å; M206-F274 HydrophobicContact CE-CG 4.19Å; M206-F274 HydrophobicContact SD-CD1 4.2Å; M206-F274 HydrophobicContact SD-CE1 3.82Å |
| 207 | I | 88.3 | Confident | 86.6 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 178.8 | -69.1 | 169.2 | 0 | 0 | 0 | 111.2 | V203 A204 T211 | V203-I207 HydrophobicContact CG1-CD1 3.63Å; V203-I207 HydrophobicContact CG1-CG1 4.24Å; V203-I207 VanDerWaalsContact O-CG1 3.3Å; V203-I207 WeakPolarHBondContact O-CG1 3.34Å; V203-I207 PolarHBondContact O-N 3.37Å; A204-I207 PolarHBondContact O-N 3.31Å; I207-T211 VanDerWaalsContact O-CB 3.29Å; I207-T211 WeakPolarHBondContact O-CB 3.44Å; I207-T211 PolarHBondContact O-N 3.03Å; I207-T211 PolarHBondContact O-OG1 3.48Å |
| 208 | V | 89.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 54 Ų | 54 | 48% | 0.479 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | -179.5 | 170.1 | 0 | 0 | 0 | 0 | 111 | A204 I205 M206 Y210 T211 R212 | A204-V208 WeakPolarHBondContact O-CB 3.46Å; A204-V208 VanDerWaalsContact O-CG2 3.28Å; A204-V208 WeakPolarHBondContact O-CG2 3.15Å; A204-V208 PolarHBondContact O-N 3.49Å; I205-V208 PolarHBondContact O-N 3.14Å; M206-V208 PolarHBondContact O-N 2.88Å; V208-Y210 PolarHBondContact O-N 3.38Å; V208-T211 PolarHBondContact O-N 2.84Å; V208-R212 WeakPolarHBondContact O-CG 3.3Å; V208-R212 PolarHBondContact O-N 3.11Å |
| 209 | T | 87.3 | Confident | 86 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 179.1 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | V118 Y121 I205 M206 R212 I213 | V118-T209 HydrophobicContact CG2-CG2 4.43Å; Y121-T209 HydrophobicContact CD1-CG2 4.12Å; Y121-T209 HydrophobicContact CG-CG2 4.21Å; I205-T209 HydrophobicContact CG2-CG2 4.2Å; I205-T209 WeakPolarHBondContact O-CB 3.49Å; I205-T209 VanDerWaalsContact O-CG2 3.27Å; I205-T209 WeakPolarHBondContact O-CG2 3.25Å; I205-T209 PolarHBondContact O-N 3.13Å; I205-T209 PolarHBondContact O-OG1 3.32Å; M206-T209 WeakPolarHBondContact CA-OG1 3.29Å; M206-T209 PolarHBondContact O-N 3.21Å; M206-T209 PolarHBondContact O-OG1 3.02Å; T209-R212 WeakPolarHBondContact O-CB 3.44Å; T209-R212 PolarHBondContact O-N 3.34Å; T209-I213 VanDerWaalsContact O-CG1 3.28Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 3.37Å |
| 210 | Y | 82.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 8% | 0.078 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 178.2 | -89.2 | -101.1 | 0 | 0 | 0 | 113.9 | M206 V208 R212 I213 Y214 L267 M271 | M206-Y210 VanDerWaalsContact O-CB 3.29Å; M206-Y210 WeakPolarHBondContact O-CB 3.19Å; M206-Y210 VanDerWaalsContact O-CD2 3.22Å; M206-Y210 WeakPolarHBondContact O-CD2 3.24Å; M206-Y210 PolarHBondContact O-N 3.02Å; V208-Y210 PolarHBondContact O-N 3.38Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.48Å; Y210-I213 HydrophobicContact CD2-CD1 4.4Å; Y210-I213 HydrophobicContact CE2-CD1 4.44Å; Y210-I213 HydrophobicContact CG-CD1 4.5Å; Y210-I213 WeakPolarHBondContact O-CB 3.38Å; Y210-I213 PolarHBondContact O-N 2.97Å; Y210-Y214 WeakPolarHBondContact O-CB 3.33Å; Y210-Y214 PolarHBondContact O-N 3.02Å; Y210-L267 HydrophobicContact CE1-CB 3.76Å; Y210-L267 VanDerWaalsContact CE1-O 3.25Å; Y210-L267 WeakPolarHBondContact CE1-O 3.34Å; Y210-L267 PolarHBondContact OH-O 3.32Å; Y210-M271 HydrophobicContact CD1-CG 3.84Å; Y210-M271 HydrophobicContact CD2-CE 3.98Å; Y210-M271 HydrophobicContact CD2-CG 3.83Å; Y210-M271 HydrophobicContact CE1-CE 4.44Å; Y210-M271 HydrophobicContact CE1-CG 3.53Å; Y210-M271 HydrophobicContact CE2-CE 3.1Å; Y210-M271 HydrophobicContact CE2-CG 3.58Å; Y210-M271 HydrophobicContact CE2-SD 4.13Å; Y210-M271 HydrophobicContact CG-CG 3.95Å; Y210-M271 VanDerWaalsContact OH-CE 3.25Å; Y210-M271 WeakPolarHBondContact OH-CE 3.37Å |
| 211 | T | 84.3 | Confident | 84.5 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 44% | 0.436 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 110 | I207 V208 Y214 R215 | I207-T211 VanDerWaalsContact O-CB 3.29Å; I207-T211 WeakPolarHBondContact O-CB 3.44Å; I207-T211 PolarHBondContact O-N 3.03Å; I207-T211 PolarHBondContact O-OG1 3.48Å; V208-T211 PolarHBondContact O-N 2.84Å; T211-Y214 PolarHBondContact O-N 3.29Å; T211-R215 WeakPolarHBondContact O-CG 3.5Å; T211-R215 PolarHBondContact O-N 2.99Å |
| 212 | R | 86.5 | Confident | 83.8 | Confident | 142 Ų | 142 | 64.5 Ų | 64.5 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 174.7 | -71.1 | -177 | 175.8 | -124.9 | -1.9 | 112.1 | Y121 V208 T209 Y210 Y214 R215 I216 | Y121-R212 HydrophobicContact CD2-CB 4.24Å; Y121-R212 HydrophobicContact CE2-CB 3.62Å; V208-R212 WeakPolarHBondContact O-CG 3.3Å; V208-R212 PolarHBondContact O-N 3.11Å; T209-R212 WeakPolarHBondContact O-CB 3.44Å; T209-R212 PolarHBondContact O-N 3.34Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.48Å; R212-Y214 VanDerWaalsContact C-N 3.33Å; R212-Y214 PolarHBondContact O-N 2.97Å; R212-R215 PolarHBondContact O-N 3.04Å; R212-I216 VanDerWaalsContact O-CG1 3.28Å; R212-I216 WeakPolarHBondContact O-CG1 3.19Å; R212-I216 PolarHBondContact O-N 3.39Å |
| 213 | I | 82.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.7 | -51.4 | 174.1 | -69.4 | 170 | 0 | 0 | 0 | 110 | R120 Y121 I124 T209 Y210 R215 I216 A217 L264 | R120-I213 HydrophobicContact CB-CD1 4.42Å; Y121-I213 HydrophobicContact CD2-CG1 3.76Å; Y121-I213 HydrophobicContact CG-CG1 4.37Å; I124-I213 HydrophobicContact CD1-CD1 4.32Å; I124-I213 HydrophobicContact CD1-CG1 4.38Å; I124-I213 HydrophobicContact CD1-CG2 3.71Å; I124-I213 HydrophobicContact CG2-CG2 4.37Å; T209-I213 VanDerWaalsContact O-CG1 3.28Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 3.37Å; Y210-I213 HydrophobicContact CD2-CD1 4.4Å; Y210-I213 HydrophobicContact CE2-CD1 4.44Å; Y210-I213 HydrophobicContact CG-CD1 4.5Å; Y210-I213 WeakPolarHBondContact O-CB 3.38Å; Y210-I213 PolarHBondContact O-N 2.97Å; I213-R215 VanDerWaalsContact C-N 3.33Å; I213-R215 PolarHBondContact O-N 3.3Å; I213-I216 PolarHBondContact O-N 3.41Å; I213-A217 WeakPolarHBondContact O-CB 3.46Å; I213-A217 PolarHBondContact O-N 3.43Å; I213-L264 HydrophobicContact CG2-CD2 3.38Å |
| 214 | Y | 81.1 | Confident | 82.5 | Confident | 134 Ų | 134 | 73.3 Ų | 73.3 | 53% | 0.525 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | -179.3 | 179.8 | -102.5 | 0 | 0 | 0 | 111.5 | Y210 T211 R212 A217 Q218 | Y210-Y214 WeakPolarHBondContact O-CB 3.33Å; Y210-Y214 PolarHBondContact O-N 3.02Å; T211-Y214 PolarHBondContact O-N 3.29Å; R212-Y214 VanDerWaalsContact C-N 3.33Å; R212-Y214 PolarHBondContact O-N 2.97Å; Y214-A217 PolarHBondContact O-N 2.93Å; Y214-Q218 HydrophobicContact CD1-CG 4.16Å; Y214-Q218 HydrophobicContact CD2-CG 4.37Å; Y214-Q218 HydrophobicContact CE1-CG 3.82Å; Y214-Q218 HydrophobicContact CE2-CG 4.05Å; Y214-Q218 HydrophobicContact CG-CG 4.43Å; Y214-Q218 WeakPolarHBondContact O-CB 3.38Å; Y214-Q218 WeakPolarHBondContact O-CG 3.33Å; Y214-Q218 PolarHBondContact O-N 3.15Å; Y214-Q218 PolarHBondContact OH-NE2 3Å; Y214-Q218 VanDerWaalsContact OH-NE2 3.15Å |
| 215 | R | 84 | Confident | 81.8 | Confident | 167 Ų | 167 | 73 Ų | 73 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.3 | -47.4 | 176.5 | -69 | -76.3 | -175.5 | 175.8 | 1.4 | 111.9 | T211 R212 I213 Q218 I219 | T211-R215 WeakPolarHBondContact O-CG 3.5Å; T211-R215 PolarHBondContact O-N 2.99Å; R212-R215 PolarHBondContact O-N 3.04Å; I213-R215 VanDerWaalsContact C-N 3.33Å; I213-R215 PolarHBondContact O-N 3.3Å; R215-Q218 PolarHBondContact O-N 3.02Å; R215-I219 WeakPolarHBondContact O-CD1 3.49Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.27Å; R215-I219 PolarHBondContact O-N 2.64Å |
| 216 | I | 81.2 | Confident | 81.2 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.9 | -68.8 | 165.9 | 0 | 0 | 0 | 110.2 | Y121 I124 R212 I213 Q218 I219 Q220 | Y121-I216 HydrophobicContact CE2-CD1 4.02Å; I124-I216 HydrophobicContact CG2-CG2 4.5Å; R212-I216 VanDerWaalsContact O-CG1 3.28Å; R212-I216 WeakPolarHBondContact O-CG1 3.19Å; R212-I216 PolarHBondContact O-N 3.39Å; I213-I216 PolarHBondContact O-N 3.41Å; I216-Q218 PolarHBondContact O-N 3Å; I216-I219 PolarHBondContact O-N 3.4Å; I216-Q220 WeakPolarHBondContact O-CG 3.09Å; I216-Q220 PolarHBondContact O-N 3.46Å |
| 217 | A | 74.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I213 Y214 I219 Q220 I221 L264 | I213-A217 WeakPolarHBondContact O-CB 3.46Å; I213-A217 PolarHBondContact O-N 3.43Å; Y214-A217 PolarHBondContact O-N 2.93Å; A217-I219 VanDerWaalsContact C-N 3.29Å; A217-I219 PolarHBondContact O-N 3.26Å; A217-Q220 WeakPolarHBondContact O-CA 3.49Å; A217-Q220 WeakPolarHBondContact O-CB 3.37Å; A217-Q220 PolarHBondContact O-N 3.44Å; A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 2.96Å; A217-L264 HydrophobicContact CB-CD1 3.36Å |
| 218 | Q | 78.1 | Confident | 80.3 | Confident | 55 Ų | 55 | 76 Ų | 76 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.3 | -38.4 | 177.7 | -73.5 | -68.1 | -15.6 | 0 | 0 | 112.9 | Y214 R215 I216 I221 R222 | Y214-Q218 HydrophobicContact CD1-CG 4.16Å; Y214-Q218 HydrophobicContact CD2-CG 4.37Å; Y214-Q218 HydrophobicContact CE1-CG 3.82Å; Y214-Q218 HydrophobicContact CE2-CG 4.05Å; Y214-Q218 HydrophobicContact CG-CG 4.43Å; Y214-Q218 WeakPolarHBondContact O-CB 3.38Å; Y214-Q218 WeakPolarHBondContact O-CG 3.33Å; Y214-Q218 PolarHBondContact O-N 3.15Å; Y214-Q218 PolarHBondContact OH-NE2 3Å; Y214-Q218 VanDerWaalsContact OH-NE2 3.15Å; R215-Q218 PolarHBondContact O-N 3.02Å; I216-Q218 PolarHBondContact O-N 3Å; Q218-I221 PolarHBondContact O-N 3.45Å; Q218-R222 VanDerWaalsContact O-CG 3.32Å; Q218-R222 WeakPolarHBondContact O-CG 3.3Å; Q218-R222 PolarHBondContact O-N 3.12Å |
| 219 | I | 80.8 | Confident | 79.8 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.1 | -68.6 | 163.6 | 0 | 0 | 0 | 110.6 | R215 I216 A217 R222 R223 | R215-I219 WeakPolarHBondContact O-CD1 3.49Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.27Å; R215-I219 PolarHBondContact O-N 2.64Å; I216-I219 PolarHBondContact O-N 3.4Å; A217-I219 VanDerWaalsContact C-N 3.29Å; A217-I219 PolarHBondContact O-N 3.26Å; I219-R222 PolarHBondContact O-N 3.39Å; I219-R223 HydrophobicContact CG2-CG 4.46Å; I219-R223 WeakPolarHBondContact O-CG 3.48Å; I219-R223 PolarHBondContact O-N 3.4Å |
| 220 | Q | 76.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175 | -70.9 | 173.1 | -12.9 | 0 | 0 | 111.3 | I216 A217 R222 R223 I224 | I216-Q220 WeakPolarHBondContact O-CG 3.09Å; I216-Q220 PolarHBondContact O-N 3.46Å; A217-Q220 WeakPolarHBondContact O-CA 3.49Å; A217-Q220 WeakPolarHBondContact O-CB 3.37Å; A217-Q220 PolarHBondContact O-N 3.44Å; Q220-R222 PolarHBondContact O-N 2.98Å; Q220-R223 PolarHBondContact O-N 3.36Å; Q220-I224 WeakPolarHBondContact O-CB 3.32Å; Q220-I224 WeakPolarHBondContact O-CD1 3.01Å; Q220-I224 VanDerWaalsContact O-CG1 3.26Å; Q220-I224 WeakPolarHBondContact O-CG1 3.02Å; Q220-I224 PolarHBondContact O-N 3.01Å |
| 221 | I | 73.2 | Confident | 79.1 | Confident | 42 Ų | 42 | 84.2 Ų | 84.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.5 | -51.9 | 175.1 | -49.1 | -144.8 | 0 | 0 | 0 | 110.2 | A217 Q218 R223 I224 S225 F257 | A217-I221 WeakPolarHBondContact O-CG1 3.33Å; A217-I221 PolarHBondContact O-N 2.96Å; Q218-I221 PolarHBondContact O-N 3.45Å; I221-R223 PolarHBondContact O-N 3.45Å; I221-I224 PolarHBondContact O-N 3.22Å; I221-S225 PolarHBondContact O-N 2.9Å; I221-S225 PolarHBondContact O-OG 3.38Å; I221-F257 HydrophobicContact CB-CZ 3.89Å; I221-F257 HydrophobicContact CD1-CE1 4.36Å; I221-F257 HydrophobicContact CD1-CZ 3.71Å; I221-F257 HydrophobicContact CG1-CE2 4.19Å; I221-F257 HydrophobicContact CG1-CZ 3.54Å; I221-F257 HydrophobicContact CG2-CE1 4.38Å; I221-F257 HydrophobicContact CG2-CZ 3.92Å |
| 222 | R | 78.1 | Confident | 78.8 | Confident | 176 Ų | 176 | 86.6 Ų | 86.6 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | -176.9 | -71.2 | 174.9 | -169.2 | -176.9 | 0.5 | 112.7 | Q218 I219 Q220 A226 | Q218-R222 VanDerWaalsContact O-CG 3.32Å; Q218-R222 WeakPolarHBondContact O-CG 3.3Å; Q218-R222 PolarHBondContact O-N 3.12Å; I219-R222 PolarHBondContact O-N 3.39Å; Q220-R222 PolarHBondContact O-N 2.98Å; R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.82Å |
| 223 | R | 79.8 | Confident | 78.3 | Confident | 172 Ų | 172 | 82.9 Ų | 82.9 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 178.1 | -73.3 | 179.8 | 178 | -169.3 | -1.3 | 111.2 | I219 Q220 I221 A226 L227 | I219-R223 HydrophobicContact CG2-CG 4.46Å; I219-R223 WeakPolarHBondContact O-CG 3.48Å; I219-R223 PolarHBondContact O-N 3.4Å; Q220-R223 PolarHBondContact O-N 3.36Å; I221-R223 PolarHBondContact O-N 3.45Å; R223-A226 PolarHBondContact O-N 2.87Å; R223-L227 WeakPolarHBondContact O-CG 3.34Å; R223-L227 PolarHBondContact O-N 3.47Å |
| 224 | I | 72.4 | Confident | 77.9 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 177.3 | -70.4 | 166.4 | 0 | 0 | 0 | 111 | Q220 I221 A226 L227 E228 F253 F257 | Q220-I224 WeakPolarHBondContact O-CB 3.32Å; Q220-I224 WeakPolarHBondContact O-CD1 3.01Å; Q220-I224 VanDerWaalsContact O-CG1 3.26Å; Q220-I224 WeakPolarHBondContact O-CG1 3.02Å; Q220-I224 PolarHBondContact O-N 3.01Å; I221-I224 PolarHBondContact O-N 3.22Å; I224-A226 PolarHBondContact O-N 3.41Å; I224-L227 CarbonylContact O-C 3.51Å; I224-L227 WeakPolarHBondContact O-CA 3.35Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 PolarHBondContact O-N 3.19Å; I224-E228 HydrophobicContact CG2-CG 4.3Å; I224-E228 WeakPolarHBondContact O-CG 3.36Å; I224-E228 PolarHBondContact O-N 3.41Å; I224-F253 HydrophobicContact CD1-CE1 4.15Å; I224-F253 HydrophobicContact CD1-CZ 4.06Å; I224-F253 HydrophobicContact CG1-CE1 4.22Å; I224-F253 HydrophobicContact CG1-CZ 4.29Å; I224-F253 HydrophobicContact CG2-CE1 3.71Å; I224-F257 HydrophobicContact CD1-CD2 3.97Å; I224-F257 HydrophobicContact CD1-CE2 3.85Å |
| 225 | S | 76.6 | Confident | 77.5 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -22.5 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | I221 R229 | I221-S225 PolarHBondContact O-N 2.9Å; I221-S225 PolarHBondContact O-OG 3.38Å; S225-R229 VanDerWaalsContact O-CG 3.3Å; S225-R229 WeakPolarHBondContact O-CG 3.41Å; S225-R229 PolarHBondContact O-N 2.93Å; S225-R229 PolarHBondContact O-NE 2.9Å; S225-R229 VanDerWaalsContact O-NE 3.08Å |
| 226 | A | 78.6 | Confident | 76.7 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.8 | -41.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R222 R223 I224 R229 A230 | R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.82Å; R223-A226 PolarHBondContact O-N 2.87Å; I224-A226 PolarHBondContact O-N 3.41Å; A226-R229 PolarHBondContact O-N 2.86Å; A226-A230 WeakPolarHBondContact O-CB 3.18Å; A226-A230 PolarHBondContact O-N 2.66Å |
| 227 | L | 79.9 | Confident | 76 | Confident | 126 Ų | 126 | 89 Ų | 89 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 175.1 | -72 | 170.2 | 0 | 0 | 0 | 112.3 | R223 I224 A230 A231 | R223-L227 WeakPolarHBondContact O-CG 3.34Å; R223-L227 PolarHBondContact O-N 3.47Å; I224-L227 CarbonylContact O-C 3.51Å; I224-L227 WeakPolarHBondContact O-CA 3.35Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 PolarHBondContact O-N 3.19Å; L227-A230 PolarHBondContact O-N 2.93Å; L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.37Å; L227-A231 PolarHBondContact O-N 2.83Å |
| 228 | E | 77.4 | Confident | 75.3 | Confident | 58 Ų | 58 | 95.4 Ų | 95.4 | 27% | 0.271 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.2 | -72.3 | -179.3 | 148.7 | 0 | 0 | 111.1 | I224 A230 A231 E232 K254 | I224-E228 HydrophobicContact CG2-CG 4.3Å; I224-E228 WeakPolarHBondContact O-CG 3.36Å; I224-E228 PolarHBondContact O-N 3.41Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.43Å; E228-A231 PolarHBondContact O-N 2.73Å; E228-E232 WeakPolarHBondContact O-CB 3.38Å; E228-E232 PolarHBondContact O-N 3.12Å; E228-K254 VanDerWaalsContact OE1-CE 3.25Å; E228-K254 WeakPolarHBondContact OE1-CE 3.24Å |
| 229 | R | 79.1 | Confident | 74.3 | Confident | 165 Ų | 165 | 97 Ų | 97 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | 176 | -75.1 | -176.3 | -68.8 | 164.5 | -0.6 | 112.8 | S225 A226 S233 | S225-R229 VanDerWaalsContact O-CG 3.3Å; S225-R229 WeakPolarHBondContact O-CG 3.41Å; S225-R229 PolarHBondContact O-N 2.93Å; S225-R229 PolarHBondContact O-NE 2.9Å; S225-R229 VanDerWaalsContact O-NE 3.08Å; A226-R229 PolarHBondContact O-N 2.86Å; R229-S233 WeakPolarHBondContact O-CB 3.21Å; R229-S233 PolarHBondContact O-N 2.97Å; R229-S233 PolarHBondContact O-OG 3.29Å |
| 230 | A | 79.3 | Confident | 73.2 | Confident | 58 Ų | 58 | 98.3 Ų | 98.3 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A226 L227 E228 S233 A234 | A226-A230 WeakPolarHBondContact O-CB 3.18Å; A226-A230 PolarHBondContact O-N 2.66Å; L227-A230 PolarHBondContact O-N 2.93Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.43Å; A230-S233 PolarHBondContact O-N 3.45Å; A230-A234 PolarHBondContact O-N 3.35Å |
| 231 | A | 77.9 | Confident | 72.3 | Confident | 60 Ų | 60 | 101.6 Ų | 101.6 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L227 E228 S233 A234 K235 | L227-A231 VanDerWaalsContact O-CB 3.3Å; L227-A231 WeakPolarHBondContact O-CB 3.37Å; L227-A231 PolarHBondContact O-N 2.83Å; E228-A231 PolarHBondContact O-N 2.73Å; A231-S233 VanDerWaalsContact C-N 3.35Å; A231-A234 PolarHBondContact O-N 3.38Å; A231-K235 WeakPolarHBondContact O-CB 3.38Å; A231-K235 PolarHBondContact O-N 2.9Å |
| 232 | E | 76.6 | Confident | 71.3 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 176 | -164.3 | 165.1 | -150.4 | 0 | 0 | 111.3 | E228 A234 K235 N236 | E228-E232 WeakPolarHBondContact O-CB 3.38Å; E228-E232 PolarHBondContact O-N 3.12Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 2.92Å; E232-K235 PolarHBondContact O-N 3.5Å; E232-N236 PolarHBondContact O-N 3.43Å |
| 233 | S | 76 | Confident | 70.1 | Confident | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -27.8 | 172.7 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | R229 A230 A231 R237 | R229-S233 WeakPolarHBondContact O-CB 3.21Å; R229-S233 PolarHBondContact O-N 2.97Å; R229-S233 PolarHBondContact O-OG 3.29Å; A230-S233 PolarHBondContact O-N 3.45Å; A231-S233 VanDerWaalsContact C-N 3.35Å; S233-R237 PolarHBondContact O-NE 3.46Å; S233-R237 VanDerWaalsContact O-NE 3.17Å |
| 234 | A | 74.8 | Confident | 69 | Low | 46 Ų | 46 | 102.2 Ų | 102.2 | 38% | 0.38 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -78.7 | -38.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A230 A231 E232 R237 H238 | A230-A234 PolarHBondContact O-N 3.35Å; A231-A234 PolarHBondContact O-N 3.38Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 2.92Å; A234-R237 PolarHBondContact O-N 2.98Å; A234-H238 PolarHBondContact O-N 3.25Å |
| 235 | K | 72 | Confident | 68.1 | Low | 126 Ų | 126 | 105 Ų | 105 | 55% | 0.548 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -42.9 | 176.2 | -171 | 178.4 | -179 | 179.9 | 0 | 112.1 | A231 E232 R237 H238 S239 | A231-K235 WeakPolarHBondContact O-CB 3.38Å; A231-K235 PolarHBondContact O-N 2.9Å; E232-K235 PolarHBondContact O-N 3.5Å; K235-R237 PolarHBondContact O-N 3.24Å; K235-H238 CarbonylContact O-C 3.59Å; K235-H238 PolarHBondContact O-N 3.02Å; K235-H238 VanDerWaalsContact O-N 3.09Å; K235-S239 PolarHBondContact O-N 2.92Å |
| 236 | N | 68.4 | Low | 66.9 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.1 | -24.8 | 175.6 | -72.2 | -14.8 | 0 | 0 | 0 | 113.1 | E232 S239 | E232-N236 PolarHBondContact O-N 3.43Å; N236-S239 PolarHBondContact O-OG 3.43Å |
| 237 | R | 65.4 | Low | 65.7 | Low | 192 Ų | 192 | 115.2 Ų | 115.2 | 73% | 0.725 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79 | -33.2 | 171.6 | -77.5 | -175 | -87.8 | -157.9 | -0.2 | 112.4 | S233 A234 K235 | S233-R237 PolarHBondContact O-NE 3.46Å; S233-R237 VanDerWaalsContact O-NE 3.17Å; A234-R237 PolarHBondContact O-N 2.98Å; K235-R237 PolarHBondContact O-N 3.24Å |
| 238 | H | 61 | Low | 64.3 | Low | 144 Ų | 144 | 117 Ų | 117 | 67% | 0.667 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.8 | -20.7 | 178.4 | -105.1 | -89.6 | 0 | 0 | 0 | 114.5 | A234 K235 S240 M241 | A234-H238 PolarHBondContact O-N 3.25Å; K235-H238 CarbonylContact O-C 3.59Å; K235-H238 PolarHBondContact O-N 3.02Å; K235-H238 VanDerWaalsContact O-N 3.09Å; H238-S240 PolarHBondContact O-N 2.77Å; H238-S240 VanDerWaalsContact O-N 3.13Å; H238-M241 CarbonylContact O-C 3.56Å; H238-M241 PolarHBondContact O-N 2.7Å; H238-M241 VanDerWaalsContact O-O 3.08Å |
| 239 | S | 56.9 | Low | 63.1 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -7.9 | 175.2 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | K235 N236 M241 | K235-S239 PolarHBondContact O-N 2.92Å; N236-S239 PolarHBondContact O-OG 3.43Å; S239-M241 VanDerWaalsContact C-N 3.27Å |
| 240 | S | 56.3 | Low | 61.9 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -17.9 | 167.7 | -162.9 | 0 | 0 | 0 | 0 | 112.6 | H238 | H238-S240 PolarHBondContact O-N 2.77Å; H238-S240 VanDerWaalsContact O-N 3.13Å |
| 241 | M | 57.7 | Low | 60.7 | Low | 152 Ų | 152 | 116.7 Ų | 116.7 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -119.2 | 92.1 | 177.9 | -144.8 | 86.2 | 78.4 | 0 | 0 | 108 | H238 S239 N243 | H238-M241 CarbonylContact O-C 3.56Å; H238-M241 PolarHBondContact O-N 2.7Å; H238-M241 VanDerWaalsContact O-O 3.08Å; S239-M241 VanDerWaalsContact C-N 3.27Å; M241-N243 PolarHBondContact O-N 3.09Å |
| 242 | G | 53.2 | Low | 59.4 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | trans | -52 | 109.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 243 | N | 52.6 | Low | 58.3 | Low | 152 Ų | 152 | 117.2 Ų | 117.2 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | trans | -153.1 | 113 | 156.9 | -125.2 | 4.5 | 0 | 0 | 0 | 110.2 | M241 S245 | M241-N243 PolarHBondContact O-N 3.09Å; N243-S245 PolarHBondContact O-N 3.44Å | ||
| 244 | N | 56.3 | Low | 57.2 | Low | 175 Ų | 175 | 118.3 Ų | 118.3 | 94% | 0.936 | 65% | 0.647 | S | S | * | * | trans | -82.5 | 99 | 174.2 | -98.8 | -11.5 | 0 | 0 | 0 | 108.6 | ||||
| 245 | S | 54 | Low | 56.2 | Low | 90 Ų | 90 | 122.5 Ų | 122.5 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | trans | -145.1 | 127.3 | 162.8 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | N243 | N243-S245 PolarHBondContact O-N 3.44Š| ||
| 246 | N | 52.2 | Low | 55.4 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 79% | 0.786 | 65% | 0.65 | S | S | * | * | trans | 85.9 | 82.5 | 156.4 | -57.1 | -11.1 | 0 | 0 | 0 | 117.7 | ||||
| 247 | M | 52.1 | Low | 54.7 | Low | 158 Ų | 158 | 115.4 Ų | 115.4 | 78% | 0.778 | 63% | 0.63 | S | S | * | * | trans | -98.2 | 16.3 | 174.4 | -157.5 | 168.1 | 91.6 | 0 | 0 | 113.7 | ||||
| 248 | E | 51.2 | Low | 54.1 | Low | 163 Ų | 163 | 112.9 Ų | 112.9 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -98.3 | -33.7 | -174.7 | -69.7 | -172.8 | 155.4 | 0 | 0 | 113.9 | S251 S252 | E248-S251 PolarHBondContact O-OG 2.84Å; E248-S252 PolarHBondContact O-N 3.46Å |
| 249 | T | 53.2 | Low | 53.8 | Low | 115 Ų | 115 | 114.3 Ų | 114.3 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.1 | -34.7 | -176.7 | -46.2 | 0 | 0 | 0 | 0 | 112.7 | F253 | T249-F253 PolarHBondContact O-N 2.66Å |
| 250 | E | 52.1 | Low | 53.9 | Low | 90 Ų | 90 | 114.9 Ų | 114.9 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.2 | -35.5 | -175.5 | -149.8 | -159.8 | 145.8 | 0 | 0 | 112.7 | K254 | E250-K254 WeakPolarHBondContact O-CG 3.29Å; E250-K254 PolarHBondContact O-N 3.32Å; E250-K254 WeakPolarHBondContact OE1-CE 3.47Å; E250-K254 IonicContact OE1-NZ 2.92Å; E250-K254 PolarHBondContact OE1-NZ 3.46Å |
| 251 | S | 54.4 | Low | 53.9 | Low | 70 Ų | 70 | 112.2 Ų | 112.2 | 49% | 0.49 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.6 | -36.6 | 178.7 | 64.6 | 0 | 0 | 0 | 0 | 112 | E248 M255 | E248-S251 PolarHBondContact O-OG 2.84Å; S251-M255 WeakPolarHBondContact O-CB 3.49Å; S251-M255 PolarHBondContact O-N 3.39Å; S251-M255 VanDerWaalsContact O-N 3.07Å |
| 252 | S | 50.6 | Low | 54.1 | Low | 80 Ų | 80 | 112 Ų | 112 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63 | -43.1 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | E248 M255 S256 | E248-S252 PolarHBondContact O-N 3.46Å; S252-M255 PolarHBondContact O-N 2.99Å; S252-S256 PolarHBondContact O-N 2.87Å |
| 253 | F | 54.7 | Low | 54.3 | Low | 113 Ų | 113 | 112 Ų | 112 | 50% | 0.496 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 178.1 | -167 | -102.4 | 0 | 0 | 0 | 112.4 | I224 T249 M255 S256 F257 | I224-F253 HydrophobicContact CD1-CE1 4.15Å; I224-F253 HydrophobicContact CD1-CZ 4.06Å; I224-F253 HydrophobicContact CG1-CE1 4.22Å; I224-F253 HydrophobicContact CG1-CZ 4.29Å; I224-F253 HydrophobicContact CG2-CE1 3.71Å; T249-F253 PolarHBondContact O-N 2.66Å; F253-M255 VanDerWaalsContact C-N 3.28Å; F253-M255 PolarHBondContact O-N 3.39Å; F253-S256 PolarHBondContact O-N 3.42Å; F253-F257 WeakPolarHBondContact O-CB 3.44Å; F253-F257 PolarHBondContact O-N 2.84Å |
| 254 | K | 52.8 | Low | 54.8 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 175.1 | -72.5 | 177.5 | -174.4 | 171.2 | 0 | 112.6 | E228 E250 K258 | E228-K254 VanDerWaalsContact OE1-CE 3.25Å; E228-K254 WeakPolarHBondContact OE1-CE 3.24Å; E250-K254 WeakPolarHBondContact O-CG 3.29Å; E250-K254 PolarHBondContact O-N 3.32Å; E250-K254 WeakPolarHBondContact OE1-CE 3.47Å; E250-K254 IonicContact OE1-NZ 2.92Å; E250-K254 PolarHBondContact OE1-NZ 3.46Å; K254-K258 WeakPolarHBondContact O-CG 3.25Å; K254-K258 PolarHBondContact O-N 3.28Å; K254-K258 VanDerWaalsContact O-N 3.12Å |
| 255 | M | 53.3 | Low | 55.2 | Low | 134 Ų | 134 | 105.7 Ų | 105.7 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.9 | -42.7 | 178.5 | -158.7 | 70.4 | 73.6 | 0 | 0 | 112.4 | S251 S252 F253 F257 K258 R259 | S251-M255 WeakPolarHBondContact O-CB 3.49Å; S251-M255 PolarHBondContact O-N 3.39Å; S251-M255 VanDerWaalsContact O-N 3.07Å; S252-M255 PolarHBondContact O-N 2.99Å; F253-M255 VanDerWaalsContact C-N 3.28Å; F253-M255 PolarHBondContact O-N 3.39Å; M255-F257 VanDerWaalsContact C-N 3.29Å; M255-F257 PolarHBondContact O-N 2.96Å; M255-K258 PolarHBondContact O-N 3.14Å; M255-R259 PolarHBondContact O-N 2.95Å; M255-R259 VanDerWaalsContact O-N 3.14Å |
| 256 | S | 54.6 | Low | 55.7 | Low | 47 Ų | 47 | 103.2 Ų | 103.2 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 174.8 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | S252 F253 R259 E260 | S252-S256 PolarHBondContact O-N 2.87Å; F253-S256 PolarHBondContact O-N 3.42Å; S256-R259 VanDerWaalsContact O-CB 3.28Å; S256-R259 WeakPolarHBondContact O-CB 3.41Å; S256-R259 PolarHBondContact O-N 3.31Å; S256-E260 PolarHBondContact O-N 3.47Å |
| 257 | F | 53.4 | Low | 56.4 | Low | 43 Ų | 43 | 97 Ų | 97 | 19% | 0.189 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -71.7 | -40.9 | 179.7 | -177 | -104.4 | 0 | 0 | 0 | 114.4 | I221 I224 F253 M255 R259 E260 T261 | I221-F257 HydrophobicContact CB-CZ 3.89Å; I221-F257 HydrophobicContact CD1-CE1 4.36Å; I221-F257 HydrophobicContact CD1-CZ 3.71Å; I221-F257 HydrophobicContact CG1-CE2 4.19Å; I221-F257 HydrophobicContact CG1-CZ 3.54Å; I221-F257 HydrophobicContact CG2-CE1 4.38Å; I221-F257 HydrophobicContact CG2-CZ 3.92Å; I224-F257 HydrophobicContact CD1-CD2 3.97Å; I224-F257 HydrophobicContact CD1-CE2 3.85Å; F253-F257 WeakPolarHBondContact O-CB 3.44Å; F253-F257 PolarHBondContact O-N 2.84Å; M255-F257 VanDerWaalsContact C-N 3.29Å; M255-F257 PolarHBondContact O-N 2.96Å; F257-R259 PolarHBondContact O-N 3.02Å; F257-E260 PolarHBondContact O-N 3.19Å; F257-T261 PolarHBondContact O-N 3.33Å; F257-T261 PolarHBondContact O-OG1 3.15Å |
| 258 | K | 52.8 | Low | 57.1 | Low | 139 Ų | 139 | 92.4 Ų | 92.4 | 60% | 0.604 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.7 | -31.6 | 169.8 | -78.6 | -179.8 | -179.3 | 178.2 | 0 | 111.5 | K254 M255 K262 | K254-K258 WeakPolarHBondContact O-CG 3.25Å; K254-K258 PolarHBondContact O-N 3.28Å; K254-K258 VanDerWaalsContact O-N 3.12Å; M255-K258 PolarHBondContact O-N 3.14Å; K258-K262 VanDerWaalsContact O-CG 3.27Å; K258-K262 WeakPolarHBondContact O-CG 3.48Å; K258-K262 PolarHBondContact O-N 3.47Å |
| 259 | R | 55.3 | Low | 58 | Low | 173 Ų | 173 | 87.9 Ų | 87.9 | 65% | 0.653 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.1 | -43.6 | 175.1 | -165.2 | 178.6 | 71.7 | 144.7 | 0.7 | 111.6 | M255 S256 F257 K262 V263 | M255-R259 PolarHBondContact O-N 2.95Å; M255-R259 VanDerWaalsContact O-N 3.14Å; S256-R259 VanDerWaalsContact O-CB 3.28Å; S256-R259 WeakPolarHBondContact O-CB 3.41Å; S256-R259 PolarHBondContact O-N 3.31Å; F257-R259 PolarHBondContact O-N 3.02Å; R259-K262 PolarHBondContact O-N 3.35Å; R259-V263 WeakPolarHBondContact O-CG2 3.34Å; R259-V263 PolarHBondContact O-N 3.45Å |
| 260 | E | 58.8 | Low | 58.9 | Low | 100 Ų | 100 | 83.3 Ų | 83.3 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.3 | -74.2 | 178.1 | 179.3 | 0 | 0 | 113 | S256 F257 K262 V263 L264 | S256-E260 PolarHBondContact O-N 3.47Å; F257-E260 PolarHBondContact O-N 3.19Å; E260-K262 VanDerWaalsContact C-N 3.33Å; E260-K262 PolarHBondContact O-N 3.49Å; E260-V263 WeakPolarHBondContact O-CB 3.18Å; E260-V263 PolarHBondContact O-N 3.41Å; E260-L264 PolarHBondContact O-N 2.93Å |
| 261 | T | 56 | Low | 59.9 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.7 | -31.9 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 112.5 | F257 L264 K265 | F257-T261 PolarHBondContact O-N 3.33Å; F257-T261 PolarHBondContact O-OG1 3.15Å; T261-L264 PolarHBondContact O-N 2.03Å; T261-K265 PolarHBondContact O-N 3.11Å; T261-K265 VanDerWaalsContact O-N 3.09Å |
| 262 | K | 61.5 | Low | 61.1 | Low | 149 Ų | 149 | 78.3 Ų | 78.3 | 65% | 0.648 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.8 | -36.3 | 172.7 | -78.7 | 174.1 | -179.1 | -178.6 | 0 | 112.6 | K258 R259 E260 K265 T266 | K258-K262 VanDerWaalsContact O-CG 3.27Å; K258-K262 WeakPolarHBondContact O-CG 3.48Å; K258-K262 PolarHBondContact O-N 3.47Å; R259-K262 PolarHBondContact O-N 3.35Å; E260-K262 VanDerWaalsContact C-N 3.33Å; E260-K262 PolarHBondContact O-N 3.49Å; K262-K265 PolarHBondContact O-N 3.28Å; K262-T266 PolarHBondContact O-N 2.94Å; K262-T266 VanDerWaalsContact O-N 3.13Å; K262-T266 PolarHBondContact O-OG1 2.9Å |
| 263 | V | 59 | Low | 62.7 | Low | 73 Ų | 73 | 76.3 Ų | 76.3 | 44% | 0.442 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | R259 E260 K265 T266 L267 | R259-V263 WeakPolarHBondContact O-CG2 3.34Å; R259-V263 PolarHBondContact O-N 3.45Å; E260-V263 WeakPolarHBondContact O-CB 3.18Å; E260-V263 PolarHBondContact O-N 3.41Å; V263-K265 PolarHBondContact O-N 3.07Å; V263-T266 PolarHBondContact O-N 3.47Å; V263-L267 HydrophobicContact CG1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CG 4.48Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 3.5Å |
| 264 | L | 61.8 | Low | 64.1 | Low | 36 Ų | 36 | 71 Ų | 71 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.2 | -68.9 | 171.7 | 0 | 0 | 0 | 113.1 | I124 I213 A217 E260 T261 T266 L267 S268 | I124-L264 HydrophobicContact CD1-CD2 3.79Å; I213-L264 HydrophobicContact CG2-CD2 3.38Å; A217-L264 HydrophobicContact CB-CD1 3.36Å; E260-L264 PolarHBondContact O-N 2.93Å; T261-L264 PolarHBondContact O-N 2.03Å; L264-T266 VanDerWaalsContact C-N 3.32Å; L264-T266 PolarHBondContact O-N 3.29Å; L264-L267 PolarHBondContact O-N 2.63Å; L264-S268 PolarHBondContact O-N 3.07Å; L264-S268 PolarHBondContact O-OG 3.4Å |
| 265 | K | 65.4 | Low | 65.6 | Low | 159 Ų | 159 | 68.6 Ų | 68.6 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 175.7 | -173.3 | 175.5 | -179.9 | 175.7 | 0 | 111.8 | T261 K262 V263 S268 V269 | T261-K265 PolarHBondContact O-N 3.11Å; T261-K265 VanDerWaalsContact O-N 3.09Å; K262-K265 PolarHBondContact O-N 3.28Å; V263-K265 PolarHBondContact O-N 3.07Å; K265-S268 PolarHBondContact O-N 2.97Å; K265-V269 WeakPolarHBondContact O-CG2 3.37Å; K265-V269 PolarHBondContact O-N 3.21Å; K265-V269 VanDerWaalsContact O-N 3.14Å |
| 266 | T | 64.7 | Low | 67.2 | Low | 38 Ų | 38 | 66.5 Ų | 66.5 | 23% | 0.233 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.2 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | K262 V263 L264 S268 V269 I270 I324 F327 | K262-T266 PolarHBondContact O-N 2.94Å; K262-T266 VanDerWaalsContact O-N 3.13Å; K262-T266 PolarHBondContact O-OG1 2.9Å; V263-T266 PolarHBondContact O-N 3.47Å; L264-T266 VanDerWaalsContact C-N 3.32Å; L264-T266 PolarHBondContact O-N 3.29Å; T266-S268 PolarHBondContact O-N 3.15Å; T266-V269 PolarHBondContact O-N 3.21Å; T266-I270 WeakPolarHBondContact O-CG1 3.47Å; T266-I270 PolarHBondContact O-N 2.89Å; T266-I270 VanDerWaalsContact O-N 3.12Å; T266-I324 HydrophobicContact CG2-CG2 4.24Å; T266-F327 HydrophobicContact CG2-CB 3.93Å |
| 267 | L | 66.8 | Low | 68.7 | Low | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.2 | -69.3 | 177.1 | 0 | 0 | 0 | 112.8 | R120 I124 Y210 V263 L264 I270 M271 | R120-L267 HydrophobicContact CB-CD1 4.2Å; R120-L267 HydrophobicContact CG-CD1 3.96Å; R120-L267 HydrophobicContact CG-CD2 3.92Å; I124-L267 HydrophobicContact CD1-CD1 4.48Å; Y210-L267 HydrophobicContact CE1-CB 3.76Å; Y210-L267 VanDerWaalsContact CE1-O 3.25Å; Y210-L267 WeakPolarHBondContact CE1-O 3.34Å; Y210-L267 PolarHBondContact OH-O 3.32Å; V263-L267 HydrophobicContact CG1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CG 4.48Å; V263-L267 WeakPolarHBondContact O-CG 3.47Å; V263-L267 PolarHBondContact O-N 3.5Å; L264-L267 PolarHBondContact O-N 2.63Å; L267-I270 HydrophobicContact CD2-CD1 4.11Å; L267-I270 WeakPolarHBondContact O-CB 3.43Å; L267-I270 PolarHBondContact O-N 2.83Å; L267-M271 PolarHBondContact O-N 3.4Å |
| 268 | S | 65.8 | Low | 70.4 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 43% | 0.434 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.9 | -32.6 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | L264 K265 T266 M271 G272 | L264-S268 PolarHBondContact O-N 3.07Å; L264-S268 PolarHBondContact O-OG 3.4Å; K265-S268 PolarHBondContact O-N 2.97Å; T266-S268 PolarHBondContact O-N 3.15Å; S268-M271 PolarHBondContact O-N 3.34Å; S268-G272 PolarHBondContact O-N 3.31Å |
| 269 | V | 71.3 | Confident | 72 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | K265 T266 M271 G272 V273 | K265-V269 WeakPolarHBondContact O-CG2 3.37Å; K265-V269 PolarHBondContact O-N 3.21Å; K265-V269 VanDerWaalsContact O-N 3.14Å; T266-V269 PolarHBondContact O-N 3.21Å; V269-M271 PolarHBondContact O-N 2.9Å; V269-G272 PolarHBondContact O-N 3.45Å; V269-V273 HydrophobicContact CG1-CG2 4.2Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.14Å |
| 270 | I | 72.6 | Confident | 73.6 | Confident | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.3 | -46 | 174.4 | -65.4 | 167 | 0 | 0 | 0 | 110.5 | L113 T266 L267 F274 I324 | L113-I270 HydrophobicContact CD2-CG2 4.22Å; T266-I270 WeakPolarHBondContact O-CG1 3.47Å; T266-I270 PolarHBondContact O-N 2.89Å; T266-I270 VanDerWaalsContact O-N 3.12Å; L267-I270 HydrophobicContact CD2-CD1 4.11Å; L267-I270 WeakPolarHBondContact O-CB 3.43Å; L267-I270 PolarHBondContact O-N 2.83Å; I270-F274 WeakPolarHBondContact O-CB 3.35Å; I270-F274 PolarHBondContact O-N 3.48Å; I270-I324 HydrophobicContact CB-CG2 4.46Å; I270-I324 HydrophobicContact CD1-CG2 3.77Å; I270-I324 HydrophobicContact CG1-CB 4.2Å; I270-I324 HydrophobicContact CG1-CD1 4.21Å; I270-I324 HydrophobicContact CG1-CG2 3.16Å |
| 271 | M | 73.1 | Confident | 74.9 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.7 | -39.2 | -178.4 | -62.3 | -41.2 | -174.1 | 0 | 0 | 114.4 | S117 M206 Y210 L267 S268 V269 F274 V275 | S117-M271 WeakPolarHBondContact OG-CE 3.35Å; M206-M271 HydrophobicContact CE-CE 3.45Å; M206-M271 VanDerWaalsContact CE-CE 3.45Å; M206-M271 HydrophobicContact CE-SD 3.11Å; M206-M271 WeakPolarHBondContact CE-SD 3.37Å; M206-M271 HydrophobicContact CG-CE 4.45Å; Y210-M271 HydrophobicContact CD1-CG 3.84Å; Y210-M271 HydrophobicContact CD2-CE 3.98Å; Y210-M271 HydrophobicContact CD2-CG 3.83Å; Y210-M271 HydrophobicContact CE1-CE 4.44Å; Y210-M271 HydrophobicContact CE1-CG 3.53Å; Y210-M271 HydrophobicContact CE2-CE 3.1Å; Y210-M271 HydrophobicContact CE2-CG 3.58Å; Y210-M271 HydrophobicContact CE2-SD 4.13Å; Y210-M271 HydrophobicContact CG-CG 3.95Å; Y210-M271 VanDerWaalsContact OH-CE 3.25Å; Y210-M271 WeakPolarHBondContact OH-CE 3.37Å; L267-M271 PolarHBondContact O-N 3.4Å; S268-M271 PolarHBondContact O-N 3.34Å; V269-M271 PolarHBondContact O-N 2.9Å; M271-F274 PolarHBondContact O-N 2.89Å; M271-V275 WeakPolarHBondContact O-CG2 3.18Å; M271-V275 PolarHBondContact O-N 3.49Å |
| 272 | G | 78.7 | Confident | 76.4 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S268 V269 F274 V275 C276 | S268-G272 PolarHBondContact O-N 3.31Å; V269-G272 PolarHBondContact O-N 3.45Å; G272-F274 PolarHBondContact O-N 3.12Å; G272-V275 PolarHBondContact O-N 2.88Å; G272-C276 WeakPolarHBondContact O-CB 3.42Å; G272-C276 PolarHBondContact O-N 2.95Å; G272-C276 PolarHBondContact O-SG 3.01Å |
| 273 | V | 84.2 | Confident | 77.6 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V269 V275 C276 C277 L320 I324 | V269-V273 HydrophobicContact CG1-CG2 4.2Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.14Å; V273-V275 PolarHBondContact O-N 3.25Å; V273-C276 PolarHBondContact O-N 3.46Å; V273-C277 WeakPolarHBondContact O-CB 3.27Å; V273-C277 PolarHBondContact O-N 3.35Å; V273-C277 PolarHBondContact O-SG 3.44Å; V273-C277 VanDerWaalsContact O-SG 3.33Å; V273-L320 HydrophobicContact CG1-CB 4.29Å; V273-L320 HydrophobicContact CG1-CD1 3.5Å; V273-I324 HydrophobicContact CG1-CD1 4.47Å |
| 274 | F | 83.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -50.8 | 178.7 | 171.5 | -104.9 | 0 | 0 | 0 | 113 | I110 L113 F199 V203 M206 I270 M271 G272 C276 C277 W278 N317 | I110-F274 HydrophobicContact CB-CE2 4.35Å; I110-F274 HydrophobicContact CB-CZ 4.09Å; I110-F274 HydrophobicContact CG1-CE2 3.75Å; I110-F274 HydrophobicContact CG1-CZ 3.73Å; I110-F274 HydrophobicContact CG2-CE2 4.41Å; I110-F274 HydrophobicContact CG2-CZ 3.68Å; L113-F274 HydrophobicContact CD1-CB 4.36Å; L113-F274 HydrophobicContact CD1-CD2 3.21Å; L113-F274 HydrophobicContact CD1-CE2 3.59Å; L113-F274 HydrophobicContact CD1-CG 3.86Å; L113-F274 HydrophobicContact CD1-CZ 4.5Å; F199-F274 HydrophobicContact CD2-CZ 4.36Å; F199-F274 HydrophobicContact CE2-CE1 4.31Å; F199-F274 HydrophobicContact CE2-CZ 4.24Å; V203-F274 HydrophobicContact CG2-CE1 3.74Å; V203-F274 HydrophobicContact CG2-CZ 4.46Å; M206-F274 HydrophobicContact CE-CD1 3.48Å; M206-F274 VanDerWaalsContact CE-CD1 3.48Å; M206-F274 HydrophobicContact CE-CE1 3.72Å; M206-F274 HydrophobicContact CE-CG 4.19Å; M206-F274 HydrophobicContact SD-CD1 4.2Å; M206-F274 HydrophobicContact SD-CE1 3.82Å; I270-F274 WeakPolarHBondContact O-CB 3.35Å; I270-F274 PolarHBondContact O-N 3.48Å; M271-F274 PolarHBondContact O-N 2.89Å; G272-F274 PolarHBondContact O-N 3.12Å; F274-C276 PolarHBondContact O-N 2.91Å; F274-C277 PolarHBondContact O-N 3.46Å; F274-W278 AromaticContact CD2-CD1 3.51Å; F274-W278 AromaticContact CE2-CD1 3.32Å; F274-W278 HydrophobicContact CE2-CG 4.06Å; F274-W278 AromaticContact CE2-NE1 3.77Å; F274-W278 PolarHBondContact O-N 2.86Å; F274-W278 VanDerWaalsContact O-N 3.11Å; F274-N317 WeakPolarHBondContact CA-OD1 3.28Å |
| 275 | V | 84.5 | Confident | 79.7 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | V203 M271 G272 V273 C277 W278 L279 | V203-V275 HydrophobicContact CG1-CG2 4.32Å; M271-V275 WeakPolarHBondContact O-CG2 3.18Å; M271-V275 PolarHBondContact O-N 3.49Å; G272-V275 PolarHBondContact O-N 2.88Å; V273-V275 PolarHBondContact O-N 3.25Å; V275-C277 VanDerWaalsContact C-N 3.32Å; V275-C277 PolarHBondContact O-N 3.39Å; V275-W278 PolarHBondContact O-N 3.05Å; V275-L279 HydrophobicContact CG1-CB 4.1Å; V275-L279 HydrophobicContact CG1-CD2 4.04Å; V275-L279 WeakPolarHBondContact O-CB 3.5Å; V275-L279 PolarHBondContact O-N 3.03Å |
| 276 | C | 86.5 | Confident | 80.6 | Confident | 91 Ų | 91 | 33.9 Ų | 33.9 | 62% | 0.615 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64 | -35.5 | 178.9 | -71.6 | 0 | 0 | 0 | 0 | 113.2 | G272 V273 F274 P280 | G272-C276 WeakPolarHBondContact O-CB 3.42Å; G272-C276 PolarHBondContact O-N 2.95Å; G272-C276 PolarHBondContact O-SG 3.01Å; V273-C276 PolarHBondContact O-N 3.46Å; F274-C276 PolarHBondContact O-N 2.91Å; C276-P280 VanDerWaalsContact O-CD 3.27Å; C276-P280 WeakPolarHBondContact O-CD 3.47Å |
| 277 | C | 87.6 | Confident | 81.3 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.8 | -41.5 | 178.6 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | V273 F274 V275 F313 G314 N317 | V273-C277 WeakPolarHBondContact O-CB 3.27Å; V273-C277 PolarHBondContact O-N 3.35Å; V273-C277 PolarHBondContact O-SG 3.44Å; V273-C277 VanDerWaalsContact O-SG 3.33Å; F274-C277 PolarHBondContact O-N 3.46Å; V275-C277 VanDerWaalsContact C-N 3.32Å; V275-C277 PolarHBondContact O-N 3.39Å; C277-F313 WeakPolarHBondContact CB-O 3.48Å; C277-F313 CarbonylContact O-C 3.54Å; C277-G314 PolarHBondContact O-N 3.4Å; C277-N317 HydrophobicContact CB-CB 3.88Å |
| 278 | W | 87.4 | Confident | 81.7 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -99.4 | -31.2 | -170.3 | -78.2 | 102.5 | 0 | 0 | 0 | 114.9 | S106 F199 F274 V275 P280 F281 F282 G314 N317 | S106-W278 WeakPolarHBondContact OG-CH2 3.28Å; F199-W278 HydrophobicContact CD2-CB 4.11Å; F199-W278 HydrophobicContact CE2-CB 3.44Å; F199-W278 VanDerWaalsContact CE2-CB 3.44Å; F199-W278 HydrophobicContact CE2-CG 4.46Å; F199-W278 HydrophobicContact CZ-CB 4.15Å; F274-W278 AromaticContact CD2-CD1 3.51Å; F274-W278 AromaticContact CE2-CD1 3.32Å; F274-W278 HydrophobicContact CE2-CG 4.06Å; F274-W278 AromaticContact CE2-NE1 3.77Å; F274-W278 PolarHBondContact O-N 2.86Å; F274-W278 VanDerWaalsContact O-N 3.11Å; V275-W278 PolarHBondContact O-N 3.05Å; W278-P280 VanDerWaalsContact C-CD 3.49Å; W278-F281 HydrophobicContact CE3-CD1 4.02Å; W278-F281 HydrophobicContact CZ3-CD1 4.06Å; W278-F281 HydrophobicContact CZ3-CE1 4.34Å; W278-F281 PolarHBondContact O-N 2.71Å; W278-F282 HydrophobicContact CB-CD2 4.18Å; W278-F282 HydrophobicContact CB-CE2 4.3Å; W278-F282 HydrophobicContact CD2-CE2 4.12Å; W278-F282 HydrophobicContact CE3-CD2 4.03Å; W278-F282 AromaticContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CZ 4.26Å; W278-F282 HydrophobicContact CZ3-CE2 4.04Å; W278-F282 HydrophobicContact CZ3-CZ 4.49Å; W278-F282 WeakPolarHBondContact O-CD2 3.28Å; W278-F282 PolarHBondContact O-N 3.14Å; W278-F282 VanDerWaalsContact O-N 3.09Å; W278-G314 WeakPolarHBondContact CZ2-O 3.29Å; W278-G314 PolarHBondContact NE1-O 3.42Å; W278-N317 PolarHBondContact NE1-ND2 3.24Å |
| 279 | L | 88.1 | Confident | 82.1 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.5 | -44 | -175.9 | -179 | 65.2 | 0 | 0 | 0 | 113.3 | F199 V275 F281 F282 I283 | F199-L279 HydrophobicContact CE1-CD1 3.87Å; F199-L279 HydrophobicContact CZ-CB 4.06Å; F199-L279 HydrophobicContact CZ-CD1 4.11Å; V275-L279 HydrophobicContact CG1-CB 4.1Å; V275-L279 HydrophobicContact CG1-CD2 4.04Å; V275-L279 WeakPolarHBondContact O-CB 3.5Å; V275-L279 PolarHBondContact O-N 3.03Å; L279-F281 PolarHBondContact O-N 2.77Å; L279-F282 PolarHBondContact O-N 3.15Å; L279-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CD2-CD1 4.46Å; L279-I283 HydrophobicContact CG-CD1 3.78Å; L279-I283 HydrophobicContact CG-CG1 4.38Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 3.36Å |
| 280 | P | 88.9 | Confident | 82.3 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 178.6 | -24.5 | 35.9 | 0 | 0 | 0 | 111.9 | C276 W278 F282 I283 L284 F310 | C276-P280 VanDerWaalsContact O-CD 3.27Å; C276-P280 WeakPolarHBondContact O-CD 3.47Å; W278-P280 VanDerWaalsContact C-CD 3.49Å; P280-F282 PolarHBondContact O-N 3.34Å; P280-I283 PolarHBondContact O-N 3.36Å; P280-L284 WeakPolarHBondContact O-CG 3.38Å; P280-L284 PolarHBondContact O-N 3.25Å; P280-L284 VanDerWaalsContact O-N 3.08Å; P280-F310 HydrophobicContact CB-CD1 3.31Å; P280-F310 HydrophobicContact CB-CE1 3.44Å; P280-F310 VanDerWaalsContact CB-CE1 3.44Å; P280-F310 HydrophobicContact CB-CG 4.06Å; P280-F310 HydrophobicContact CB-CZ 4.27Å; P280-F310 HydrophobicContact CG-CD1 4.19Å; P280-F310 HydrophobicContact CG-CE1 4.15Å |
| 281 | F | 86.4 | Confident | 82.3 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 11% | 0.114 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 178.1 | 168.8 | -102.2 | 0 | 0 | 0 | 112.1 | W278 L279 I283 L284 N285 F307 F310 V311 | W278-F281 HydrophobicContact CE3-CD1 4.02Å; W278-F281 HydrophobicContact CZ3-CD1 4.06Å; W278-F281 HydrophobicContact CZ3-CE1 4.34Å; W278-F281 PolarHBondContact O-N 2.71Å; L279-F281 PolarHBondContact O-N 2.77Å; F281-I283 VanDerWaalsContact C-N 3.31Å; F281-I283 PolarHBondContact O-N 3.33Å; F281-L284 PolarHBondContact O-N 2.93Å; F281-L284 VanDerWaalsContact O-N 3.12Å; F281-N285 HydrophobicContact CE1-CB 4.45Å; F281-N285 HydrophobicContact CZ-CB 4.33Å; F281-N285 WeakPolarHBondContact O-CB 2.98Å; F281-N285 PolarHBondContact O-N 3.07Å; F281-F307 HydrophobicContact CD2-CE2 4.48Å; F281-F307 HydrophobicContact CD2-CZ 4.36Å; F281-F307 HydrophobicContact CE2-CE1 4.09Å; F281-F307 HydrophobicContact CE2-CE2 4.08Å; F281-F307 AromaticContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CZ-CZ 4.42Å; F281-F310 HydrophobicContact CB-CB 4.28Å; F281-V311 HydrophobicContact CD2-CB 4.47Å; F281-V311 HydrophobicContact CD2-CG2 3.62Å; F281-V311 HydrophobicContact CE2-CG2 3.43Å; F281-V311 VanDerWaalsContact CE2-CG2 3.43Å; F281-V311 HydrophobicContact CZ-CG2 4.47Å |
| 282 | F | 85.9 | Confident | 81.6 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -31.2 | -177.9 | -82.4 | -74.2 | 0 | 0 | 0 | 113.4 | I110 F199 Y200 W278 L279 P280 C286 | I110-F282 HydrophobicContact CD1-CE2 3.9Å; I110-F282 HydrophobicContact CD1-CZ 3.96Å; F199-F282 HydrophobicContact CB-CD1 3.71Å; F199-F282 HydrophobicContact CB-CD2 3.65Å; F199-F282 HydrophobicContact CB-CE1 3.59Å; F199-F282 HydrophobicContact CB-CE2 3.52Å; F199-F282 HydrophobicContact CB-CG 3.75Å; F199-F282 HydrophobicContact CB-CZ 3.5Å; F199-F282 VanDerWaalsContact CB-CZ 3.5Å; F199-F282 HydrophobicContact CD1-CB 3.55Å; F199-F282 HydrophobicContact CD1-CD1 4.15Å; F199-F282 AromaticContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CD2 3.54Å; F199-F282 HydrophobicContact CD1-CE2 4.27Å; F199-F282 AromaticContact CD1-CG 3.46Å; F199-F282 HydrophobicContact CD1-CG 3.46Å; F199-F282 VanDerWaalsContact CD1-CG 3.46Å; F199-F282 AromaticContact CD2-CD2 3.27Å; F199-F282 HydrophobicContact CD2-CD2 3.27Å; F199-F282 AromaticContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CE2 3.36Å; F199-F282 HydrophobicContact CD2-CG 4.07Å; F199-F282 HydrophobicContact CD2-CZ 4.23Å; F199-F282 HydrophobicContact CE1-CB 3.75Å; F199-F282 AromaticContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CD2 3.93Å; F199-F282 HydrophobicContact CE1-CG 4.03Å; F199-F282 AromaticContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CD2 3.71Å; F199-F282 HydrophobicContact CE2-CE2 4.11Å; F199-F282 HydrophobicContact CG-CB 4.11Å; F199-F282 HydrophobicContact CG-CD1 4Å; F199-F282 AromaticContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CD2 3.18Å; F199-F282 HydrophobicContact CG-CE1 4.23Å; F199-F282 AromaticContact CG-CE2 3.46Å; F199-F282 HydrophobicContact CG-CE2 3.46Å; F199-F282 VanDerWaalsContact CG-CE2 3.46Å; F199-F282 AromaticContact CG-CG 3.48Å; F199-F282 HydrophobicContact CG-CG 3.48Å; F199-F282 VanDerWaalsContact CG-CG 3.48Å; F199-F282 AromaticContact CG-CZ 4Å; F199-F282 HydrophobicContact CG-CZ 4Å; F199-F282 HydrophobicContact CZ-CB 4.46Å; F199-F282 HydrophobicContact CZ-CD2 4.01Å; Y200-F282 PolarHBondContact OH-O 3.05Å; W278-F282 HydrophobicContact CB-CD2 4.18Å; W278-F282 HydrophobicContact CB-CE2 4.3Å; W278-F282 HydrophobicContact CD2-CE2 4.12Å; W278-F282 HydrophobicContact CE3-CD2 4.03Å; W278-F282 AromaticContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CE2 3.4Å; W278-F282 HydrophobicContact CE3-CZ 4.26Å; W278-F282 HydrophobicContact CZ3-CE2 4.04Å; W278-F282 HydrophobicContact CZ3-CZ 4.49Å; W278-F282 WeakPolarHBondContact O-CD2 3.28Å; W278-F282 PolarHBondContact O-N 3.14Å; W278-F282 VanDerWaalsContact O-N 3.09Å; L279-F282 PolarHBondContact O-N 3.15Å; P280-F282 PolarHBondContact O-N 3.34Å; F282-C286 PolarHBondContact O-N 2.97Å; F282-C286 VanDerWaalsContact O-N 3.09Å; F282-C286 PolarHBondContact O-SG 2.72Å |
| 283 | I | 86.6 | Confident | 80.6 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 36% | 0.359 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 170.1 | -69.8 | 167.8 | 0 | 0 | 0 | 109.7 | L279 P280 F281 N285 C286 M287 | L279-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CD2-CD1 4.46Å; L279-I283 HydrophobicContact CG-CD1 3.78Å; L279-I283 HydrophobicContact CG-CG1 4.38Å; L279-I283 VanDerWaalsContact O-CG1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 3.36Å; P280-I283 PolarHBondContact O-N 3.36Å; F281-I283 VanDerWaalsContact C-N 3.31Å; F281-I283 PolarHBondContact O-N 3.33Å; I283-N285 PolarHBondContact O-N 3.41Å; I283-C286 PolarHBondContact O-N 3.35Å; I283-M287 HydrophobicContact CG2-CG 4.34Å; I283-M287 HydrophobicContact CG2-SD 3.67Å; I283-M287 WeakPolarHBondContact O-CB 3.32Å; I283-M287 VanDerWaalsContact O-CG 3.29Å; I283-M287 WeakPolarHBondContact O-CG 3.25Å; I283-M287 PolarHBondContact O-N 2.98Å |
| 284 | L | 82.9 | Confident | 79.1 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 179.3 | -56.4 | -179 | 0 | 0 | 0 | 111.9 | P280 F281 C286 M287 V288 I302 F307 F310 | P280-L284 WeakPolarHBondContact O-CG 3.38Å; P280-L284 PolarHBondContact O-N 3.25Å; P280-L284 VanDerWaalsContact O-N 3.08Å; F281-L284 PolarHBondContact O-N 2.93Å; F281-L284 VanDerWaalsContact O-N 3.12Å; L284-C286 PolarHBondContact O-N 3.39Å; L284-M287 PolarHBondContact O-N 3.41Å; L284-V288 WeakPolarHBondContact O-CB 3.12Å; L284-V288 VanDerWaalsContact O-CG2 3.27Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 2.78Å; L284-I302 HydrophobicContact CB-CD1 4.41Å; L284-I302 HydrophobicContact CD2-CD1 3.37Å; L284-I302 HydrophobicContact CD2-CG1 4.18Å; L284-I302 HydrophobicContact CG-CD1 4.3Å; L284-F307 HydrophobicContact CB-CD2 4.18Å; L284-F307 HydrophobicContact CB-CE2 4.45Å; L284-F310 HydrophobicContact CD1-CB 4.12Å; L284-F310 HydrophobicContact CD1-CD2 3.19Å; L284-F310 HydrophobicContact CD1-CE2 3.79Å; L284-F310 HydrophobicContact CD1-CG 3.91Å; L284-F310 HydrophobicContact CG-CD2 4.43Å |
| 285 | N | 82.8 | Confident | 77.8 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -32.4 | 177.1 | -169.7 | 58.5 | 0 | 0 | 0 | 112.5 | S195 F281 I283 P289 | S195-N285 PolarHBondContact OG-ND2 3.39Å; F281-N285 HydrophobicContact CE1-CB 4.45Å; F281-N285 HydrophobicContact CZ-CB 4.33Å; F281-N285 WeakPolarHBondContact O-CB 2.98Å; F281-N285 PolarHBondContact O-N 3.07Å; I283-N285 PolarHBondContact O-N 3.41Å; N285-P289 WeakPolarHBondContact O-CD 3.49Å; N285-P289 WeakPolarHBondContact O-CG 3.35Å |
| 286 | C | 83.8 | Confident | 76.1 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.8 | -28.7 | 173.5 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | F282 I283 L284 F290 | F282-C286 PolarHBondContact O-N 2.97Å; F282-C286 VanDerWaalsContact O-N 3.09Å; F282-C286 PolarHBondContact O-SG 2.72Å; I283-C286 PolarHBondContact O-N 3.35Å; L284-C286 PolarHBondContact O-N 3.39Å; C286-F290 WeakPolarHBondContact O-CD2 3.18Å; C286-F290 VanDerWaalsContact O-CE2 3.25Å; C286-F290 WeakPolarHBondContact O-CE2 3.42Å |
| 287 | M | 80.8 | Confident | 74.3 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -84.2 | -43.2 | -177.2 | -73.6 | -178.3 | 69.8 | 0 | 0 | 113.5 | I283 L284 P289 F290 | I283-M287 HydrophobicContact CG2-CG 4.34Å; I283-M287 HydrophobicContact CG2-SD 3.67Å; I283-M287 WeakPolarHBondContact O-CB 3.32Å; I283-M287 VanDerWaalsContact O-CG 3.29Å; I283-M287 WeakPolarHBondContact O-CG 3.25Å; I283-M287 PolarHBondContact O-N 2.98Å; L284-M287 PolarHBondContact O-N 3.41Å; M287-P289 VanDerWaalsContact C-CD 3.47Å; M287-P289 VanDerWaalsContact C-N 3.35Å; M287-F290 WeakPolarHBondContact O-CB 3.22Å; M287-F290 PolarHBondContact O-N 2.71Å |
| 288 | V | 75.2 | Confident | 72.3 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -54.1 | -40.1 | -174.8 | 167.5 | 0 | 0 | 0 | 0 | 113.3 | L284 F290 C291 I302 F307 | L284-V288 WeakPolarHBondContact O-CB 3.12Å; L284-V288 VanDerWaalsContact O-CG2 3.27Å; L284-V288 WeakPolarHBondContact O-CG2 3.33Å; L284-V288 PolarHBondContact O-N 2.78Å; V288-F290 PolarHBondContact O-N 3.48Å; V288-F290 VanDerWaalsContact O-N 3.11Å; V288-C291 VanDerWaalsContact O-CB 3.25Å; V288-C291 WeakPolarHBondContact O-CB 3.47Å; V288-C291 PolarHBondContact O-N 2.8Å; V288-I302 HydrophobicContact CG2-CD1 4.1Å; V288-F307 HydrophobicContact CG2-CD2 4.25Å; V288-F307 HydrophobicContact CG2-CE2 4.49Å |
| 289 | P | 73.3 | Confident | 70.4 | Confident | 24 Ų | 24 | 76.8 Ų | 76.8 | 16% | 0.156 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -64.1 | -16.1 | 177.1 | -25.1 | 36.1 | 0 | 0 | 0 | 115.2 | R188 A191 N285 M287 | R188-P289 HydrophobicContact CB-CB 4.18Å; R188-P289 HydrophobicContact CG-CB 3.57Å; R188-P289 WeakPolarHBondContact CG-O 3.36Å; R188-P289 PolarHBondContact NE-O 3.45Å; A191-P289 HydrophobicContact CB-CG 3.76Å; N285-P289 WeakPolarHBondContact O-CD 3.49Å; N285-P289 WeakPolarHBondContact O-CG 3.35Å; M287-P289 VanDerWaalsContact C-CD 3.47Å; M287-P289 VanDerWaalsContact C-N 3.35Å |
| 290 | F | 74.4 | Confident | 68.7 | Low | 121 Ų | 121 | 81.7 Ų | 81.7 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -97.9 | -3.1 | 176 | -61.9 | -83.5 | 0 | 0 | 0 | 113.3 | I192 C286 M287 V288 E292 | I192-F290 HydrophobicContact CD1-CE2 3.68Å; I192-F290 HydrophobicContact CD1-CZ 3.47Å; I192-F290 VanDerWaalsContact CD1-CZ 3.47Å; I192-F290 HydrophobicContact CG1-CE2 4.26Å; C286-F290 WeakPolarHBondContact O-CD2 3.18Å; C286-F290 VanDerWaalsContact O-CE2 3.25Å; C286-F290 WeakPolarHBondContact O-CE2 3.42Å; M287-F290 WeakPolarHBondContact O-CB 3.22Å; M287-F290 PolarHBondContact O-N 2.71Å; V288-F290 PolarHBondContact O-N 3.48Å; V288-F290 VanDerWaalsContact O-N 3.11Å; F290-E292 PolarHBondContact O-N 3.09Å |
| 291 | C | 72.6 | Confident | 67.7 | Low | 44 Ų | 44 | 82.5 Ų | 82.5 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | trans | -73.1 | 107.3 | 173.1 | -76.8 | 0 | 0 | 0 | 0 | 109.5 | V288 C301 | V288-C291 VanDerWaalsContact O-CB 3.25Å; V288-C291 WeakPolarHBondContact O-CB 3.47Å; V288-C291 PolarHBondContact O-N 2.8Å; C291-C301 HydrophobicContact CB-CB 4.2Å; C291-C301 WeakPolarHBondContact CB-SG 3.48Å | ||
| 292 | E | 60 | Low | 66.9 | Low | 118 Ų | 118 | 83.6 Ų | 83.6 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | trans | -90.2 | 123.9 | 172 | -73.1 | -175 | 170.7 | 0 | 0 | 109.9 | R188 F290 N294 | R188-E292 IonicContact NH2-OE1 2.77Å; F290-E292 PolarHBondContact O-N 3.09Å; E292-N294 PolarHBondContact O-N 3.37Å | ||
| 293 | P | 56.9 | Low | 66.4 | Low | 118 Ų | 118 | 86.4 Ų | 86.4 | 77% | 0.766 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.9 | 179.8 | -24 | 32.5 | 0 | 0 | 0 | 114.6 | ||
| 294 | N | 53.7 | Low | 65.6 | Low | 163 Ų | 163 | 87 Ų | 87 | 87% | 0.872 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | 19.2 | -171.1 | -63.1 | -35.4 | 0 | 0 | 0 | 113.9 | E292 | E292-N294 PolarHBondContact O-N 3.37Š|
| 295 | G | 55.4 | Low | 65.3 | Low | 25 Ų | 25 | 87.9 Ų | 87.9 | 26% | 0.258 | 51% | 0.507 | S | S | . | . | trans | -75.8 | 155.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S297 | G295-S297 PolarHBondContact O-N 3.12Š| ||
| 296 | P | 49.7 | Very low | 65.2 | Low | 140 Ų | 140 | 90.2 Ų | 90.2 | 91% | 0.909 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -73.5 | 16 | -178.1 | 31.5 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 297 | S | 48.2 | Very low | 65 | Low | 82 Ų | 82 | 90.5 Ų | 90.5 | 57% | 0.573 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -115.7 | 115.5 | -179 | -39 | 0 | 0 | 0 | 0 | 107.8 | G295 F299 | G295-S297 PolarHBondContact O-N 3.12Å; S297-F299 PolarHBondContact O-N 3.38Å |
| 298 | D | 44.4 | Very low | 65 | Low | 175 Ų | 175 | 86.5 Ų | 86.5 | 94% | 0.936 | 50% | 0.501 | S | S | * | . | trans | -65.7 | 37.5 | 170.7 | -69.1 | -42.8 | 0 | 0 | 0 | 112.8 | L300 | D298-L300 VanDerWaalsContact C-N 3.31Å; D298-L300 PolarHBondContact O-N 3.26Å | ||
| 299 | F | 47.3 | Very low | 65.6 | Low | 177 Ų | 177 | 86.2 Ų | 86.2 | 78% | 0.776 | 50% | 0.499 | S | S | * | . | trans | -74.3 | 95.5 | 163.6 | -92.9 | -78.1 | 0 | 0 | 0 | 107.3 | S297 C301 | S297-F299 PolarHBondContact O-N 3.38Å; F299-C301 PolarHBondContact O-N 3.45Å | ||
| 300 | L | 52.9 | Low | 66.2 | Low | 165 Ų | 165 | 88 Ų | 88 | 86% | 0.864 | 50% | 0.504 | S | S | * | . | trans | -49.6 | 106.6 | 175.7 | -157.1 | 95.4 | 0 | 0 | 0 | 109 | D298 I302 | D298-L300 VanDerWaalsContact C-N 3.31Å; D298-L300 PolarHBondContact O-N 3.26Å; L300-I302 PolarHBondContact O-N 3.08Å | ||
| 301 | C | 67.7 | Low | 66.8 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 136.3 | 174.1 | -63.3 | 0 | 0 | 0 | 0 | 108.5 | C291 F299 S303 | C291-C301 HydrophobicContact CB-CB 4.2Å; C291-C301 WeakPolarHBondContact CB-SG 3.48Å; F299-C301 PolarHBondContact O-N 3.45Å; C301-S303 PolarHBondContact O-N 3.3Å |
| 302 | I | 70.9 | Confident | 67.6 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 25% | 0.251 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 132.7 | -174.3 | -66.2 | 138.4 | 0 | 0 | 0 | 109.4 | L284 V288 L300 T306 | L284-I302 HydrophobicContact CB-CD1 4.41Å; L284-I302 HydrophobicContact CD2-CD1 3.37Å; L284-I302 HydrophobicContact CD2-CG1 4.18Å; L284-I302 HydrophobicContact CG-CD1 4.3Å; V288-I302 HydrophobicContact CG2-CD1 4.1Å; L300-I302 PolarHBondContact O-N 3.08Å; I302-T306 HydrophobicContact CG2-CG2 3.74Å |
| 303 | S | 75.1 | Confident | 68.9 | Low | 72 Ų | 72 | 81.7 Ų | 81.7 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 138.9 | 174 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | C301 G305 T306 F307 | C301-S303 PolarHBondContact O-N 3.3Å; S303-G305 PolarHBondContact O-N 3.27Å; S303-G305 VanDerWaalsContact O-N 3.17Å; S303-T306 WeakPolarHBondContact O-CB 3.24Å; S303-T306 PolarHBondContact O-N 3.34Å; S303-F307 PolarHBondContact O-N 3.23Å |
| 304 | P | 70.3 | Confident | 70.3 | Confident | 83 Ų | 83 | 76 Ų | 76 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -49.5 | -42.6 | 177 | -29.2 | 35.2 | 0 | 0 | 0 | 113.1 | T306 F307 D308 | P304-T306 VanDerWaalsContact C-N 3.27Å; P304-T306 PolarHBondContact O-N 3.03Å; P304-F307 WeakPolarHBondContact O-CA 3.42Å; P304-F307 WeakPolarHBondContact O-CB 3.45Å; P304-F307 PolarHBondContact O-N 2.89Å; P304-D308 PolarHBondContact O-N 2.9Å; P304-D308 VanDerWaalsContact O-OD2 3.14Å |
| 305 | G | 75.4 | Confident | 72 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S303 V309 | S303-G305 PolarHBondContact O-N 3.27Å; S303-G305 VanDerWaalsContact O-N 3.17Å; G305-V309 VanDerWaalsContact O-CG2 3.24Å; G305-V309 WeakPolarHBondContact O-CG2 3.11Å; G305-V309 PolarHBondContact O-N 3Å; G305-V309 VanDerWaalsContact O-N 3.09Å |
| 306 | T | 80.5 | Confident | 73.6 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 173.6 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | I302 S303 P304 V309 F310 | I302-T306 HydrophobicContact CG2-CG2 3.74Å; S303-T306 WeakPolarHBondContact O-CB 3.24Å; S303-T306 PolarHBondContact O-N 3.34Å; P304-T306 VanDerWaalsContact C-N 3.27Å; P304-T306 PolarHBondContact O-N 3.03Å; T306-V309 PolarHBondContact O-N 3.09Å; T306-F310 HydrophobicContact CG2-CD2 3.94Å; T306-F310 HydrophobicContact CG2-CE2 3.63Å; T306-F310 WeakPolarHBondContact O-CD2 3.31Å; T306-F310 PolarHBondContact O-N 3.25Å |
| 307 | F | 80.7 | Confident | 75.5 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.8 | -175.4 | -92.4 | 0 | 0 | 0 | 111 | F281 L284 V288 S303 P304 V309 F310 V311 | F281-F307 HydrophobicContact CD2-CE2 4.48Å; F281-F307 HydrophobicContact CD2-CZ 4.36Å; F281-F307 HydrophobicContact CE2-CE1 4.09Å; F281-F307 HydrophobicContact CE2-CE2 4.08Å; F281-F307 AromaticContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CE2-CZ 3.59Å; F281-F307 HydrophobicContact CZ-CZ 4.42Å; L284-F307 HydrophobicContact CB-CD2 4.18Å; L284-F307 HydrophobicContact CB-CE2 4.45Å; V288-F307 HydrophobicContact CG2-CD2 4.25Å; V288-F307 HydrophobicContact CG2-CE2 4.49Å; S303-F307 PolarHBondContact O-N 3.23Å; P304-F307 WeakPolarHBondContact O-CA 3.42Å; P304-F307 WeakPolarHBondContact O-CB 3.45Å; P304-F307 PolarHBondContact O-N 2.89Å; F307-V309 PolarHBondContact O-N 3.34Å; F307-F310 PolarHBondContact O-N 3.09Å; F307-F310 VanDerWaalsContact O-N 3.11Å; F307-V311 HydrophobicContact CD1-CG2 4.03Å; F307-V311 HydrophobicContact CE1-CG2 3.83Å; F307-V311 WeakPolarHBondContact O-CG2 3.25Å; F307-V311 PolarHBondContact O-N 3.32Å |
| 308 | D | 81.3 | Confident | 77.4 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 178.3 | -65.9 | -45.3 | 0 | 0 | 0 | 112.3 | K80 P304 F310 V311 W312 | K80-D308 WeakPolarHBondContact CE-OD1 3.28Å; K80-D308 IonicContact NZ-OD1 2.7Å; K80-D308 PolarHBondContact NZ-OD1 2.86Å; P304-D308 PolarHBondContact O-N 2.9Å; P304-D308 VanDerWaalsContact O-OD2 3.14Å; D308-F310 VanDerWaalsContact C-N 3.29Å; D308-F310 PolarHBondContact O-N 3.23Å; D308-V311 WeakPolarHBondContact O-CB 3.35Å; D308-V311 PolarHBondContact O-N 3.44Å; D308-V311 VanDerWaalsContact O-N 3.15Å; D308-W312 HydrophobicContact CB-CZ2 4.02Å; D308-W312 PolarHBondContact O-N 2.92Å; D308-W312 PolarHBondContact O-NE1 2.85Å |
| 309 | V | 86.2 | Confident | 79.6 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 33% | 0.327 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 174.2 | 167 | 0 | 0 | 0 | 0 | 110.9 | G305 T306 F307 W312 F313 | G305-V309 VanDerWaalsContact O-CG2 3.24Å; G305-V309 WeakPolarHBondContact O-CG2 3.11Å; G305-V309 PolarHBondContact O-N 3Å; G305-V309 VanDerWaalsContact O-N 3.09Å; T306-V309 PolarHBondContact O-N 3.09Å; F307-V309 PolarHBondContact O-N 3.34Å; V309-W312 HydrophobicContact CG2-CE3 4.09Å; V309-W312 HydrophobicContact CG2-CH2 4.49Å; V309-W312 HydrophobicContact CG2-CZ3 3.86Å; V309-W312 WeakPolarHBondContact O-CB 3.44Å; V309-W312 PolarHBondContact O-N 2.87Å; V309-W312 VanDerWaalsContact O-N 3.14Å; V309-F313 HydrophobicContact CG1-CD2 3.96Å; V309-F313 HydrophobicContact CG1-CE2 3.93Å; V309-F313 WeakPolarHBondContact O-CD2 3.49Å; V309-F313 PolarHBondContact O-N 3.26Å |
| 310 | F | 87.3 | Confident | 81.7 | Confident | 60 Ų | 60 | 44.5 Ų | 44.5 | 26% | 0.263 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.3 | -29.3 | 179.2 | -73.1 | -63.5 | 0 | 0 | 0 | 113.5 | P280 F281 L284 T306 F307 D308 W312 F313 G314 | P280-F310 HydrophobicContact CB-CD1 3.31Å; P280-F310 HydrophobicContact CB-CE1 3.44Å; P280-F310 VanDerWaalsContact CB-CE1 3.44Å; P280-F310 HydrophobicContact CB-CG 4.06Å; P280-F310 HydrophobicContact CB-CZ 4.27Å; P280-F310 HydrophobicContact CG-CD1 4.19Å; P280-F310 HydrophobicContact CG-CE1 4.15Å; F281-F310 HydrophobicContact CB-CB 4.28Å; L284-F310 HydrophobicContact CD1-CB 4.12Å; L284-F310 HydrophobicContact CD1-CD2 3.19Å; L284-F310 HydrophobicContact CD1-CE2 3.79Å; L284-F310 HydrophobicContact CD1-CG 3.91Å; L284-F310 HydrophobicContact CG-CD2 4.43Å; T306-F310 HydrophobicContact CG2-CD2 3.94Å; T306-F310 HydrophobicContact CG2-CE2 3.63Å; T306-F310 WeakPolarHBondContact O-CD2 3.31Å; T306-F310 PolarHBondContact O-N 3.25Å; F307-F310 PolarHBondContact O-N 3.09Å; F307-F310 VanDerWaalsContact O-N 3.11Å; D308-F310 VanDerWaalsContact C-N 3.29Å; D308-F310 PolarHBondContact O-N 3.23Å; F310-W312 VanDerWaalsContact C-N 3.32Å; F310-F313 PolarHBondContact O-N 2.97Å; F310-G314 PolarHBondContact O-N 3.42Å; F310-G314 VanDerWaalsContact O-N 3.07Å |
| 311 | V | 85.4 | Confident | 83.3 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 166.4 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | F281 F307 D308 F313 G314 W315 | F281-V311 HydrophobicContact CD2-CB 4.47Å; F281-V311 HydrophobicContact CD2-CG2 3.62Å; F281-V311 HydrophobicContact CE2-CG2 3.43Å; F281-V311 VanDerWaalsContact CE2-CG2 3.43Å; F281-V311 HydrophobicContact CZ-CG2 4.47Å; F307-V311 HydrophobicContact CD1-CG2 4.03Å; F307-V311 HydrophobicContact CE1-CG2 3.83Å; F307-V311 WeakPolarHBondContact O-CG2 3.25Å; F307-V311 PolarHBondContact O-N 3.32Å; D308-V311 WeakPolarHBondContact O-CB 3.35Å; D308-V311 PolarHBondContact O-N 3.44Å; D308-V311 VanDerWaalsContact O-N 3.15Å; V311-F313 VanDerWaalsContact C-N 3.31Å; V311-F313 PolarHBondContact O-N 2.79Å; V311-G314 WeakPolarHBondContact O-CA 3.27Å; V311-G314 PolarHBondContact O-N 3.09Å; V311-W315 HydrophobicContact CG1-CD2 4.12Å; V311-W315 HydrophobicContact CG1-CE3 4.5Å; V311-W315 HydrophobicContact CG1-CH2 3.84Å; V311-W315 HydrophobicContact CG1-CZ2 3.39Å; V311-W315 HydrophobicContact CG1-CZ3 4.38Å; V311-W315 PolarHBondContact O-N 3.04Å |
| 312 | W | 89.6 | Confident | 84.3 | Confident | 29 Ų | 29 | 34.7 Ų | 34.7 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -34.6 | 179 | -51.8 | -16.6 | 0 | 0 | 0 | 112.4 | T25 F28 L29 E84 D308 V309 F310 G314 W315 A316 | T25-W312 HydrophobicContact CG2-CH2 3.37Å; T25-W312 HydrophobicContact CG2-CZ2 3.73Å; T25-W312 HydrophobicContact CG2-CZ3 4.09Å; F28-W312 HydrophobicContact CD1-CE3 4.23Å; F28-W312 HydrophobicContact CE1-CB 4.21Å; F28-W312 HydrophobicContact CE1-CE3 4.05Å; L29-W312 HydrophobicContact CD1-CZ2 4.38Å; L29-W312 HydrophobicContact CD2-CD2 3.91Å; L29-W312 HydrophobicContact CD2-CG 3.84Å; E84-W312 HydrophobicContact CG-CZ2 4.03Å; D308-W312 HydrophobicContact CB-CZ2 4.02Å; D308-W312 PolarHBondContact O-N 2.92Å; D308-W312 PolarHBondContact O-NE1 2.85Å; V309-W312 HydrophobicContact CG2-CE3 4.09Å; V309-W312 HydrophobicContact CG2-CH2 4.49Å; V309-W312 HydrophobicContact CG2-CZ3 3.86Å; V309-W312 WeakPolarHBondContact O-CB 3.44Å; V309-W312 PolarHBondContact O-N 2.87Å; V309-W312 VanDerWaalsContact O-N 3.14Å; F310-W312 VanDerWaalsContact C-N 3.32Å; W312-G314 VanDerWaalsContact C-N 3.32Å; W312-W315 AromaticContact CD1-CE3 3.7Å; W312-W315 AromaticContact CD1-CZ3 3.35Å; W312-W315 HydrophobicContact CG-CE3 4.41Å; W312-W315 HydrophobicContact CG-CZ3 4.37Å; W312-W315 AromaticContact NE1-CZ3 3.92Å; W312-W315 PolarHBondContact O-N 3.32Å; W312-A316 WeakPolarHBondContact O-CB 3.37Å; W312-A316 PolarHBondContact O-N 2.97Å |
| 313 | F | 87.8 | Confident | 85.1 | Confident | 109 Ų | 109 | 37 Ų | 37 | 48% | 0.478 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -39.4 | 170.9 | -93.5 | -96.2 | 0 | 0 | 0 | 112.1 | C277 V309 F310 V311 A316 | C277-F313 WeakPolarHBondContact CB-O 3.48Å; C277-F313 CarbonylContact O-C 3.54Å; V309-F313 HydrophobicContact CG1-CD2 3.96Å; V309-F313 HydrophobicContact CG1-CE2 3.93Å; V309-F313 WeakPolarHBondContact O-CD2 3.49Å; V309-F313 PolarHBondContact O-N 3.26Å; F310-F313 PolarHBondContact O-N 2.97Å; V311-F313 VanDerWaalsContact C-N 3.31Å; V311-F313 PolarHBondContact O-N 2.79Å; F313-A316 WeakPolarHBondContact O-CB 3.49Å; F313-A316 PolarHBondContact O-N 3Å |
| 314 | G | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C277 W278 F310 V311 W312 A316 N317 | C277-G314 PolarHBondContact O-N 3.4Å; W278-G314 WeakPolarHBondContact CZ2-O 3.29Å; W278-G314 PolarHBondContact NE1-O 3.42Å; F310-G314 PolarHBondContact O-N 3.42Å; F310-G314 VanDerWaalsContact O-N 3.07Å; V311-G314 WeakPolarHBondContact O-CA 3.27Å; V311-G314 PolarHBondContact O-N 3.09Å; W312-G314 VanDerWaalsContact C-N 3.32Å; G314-A316 VanDerWaalsContact C-N 3.34Å; G314-A316 PolarHBondContact O-N 3.11Å; G314-N317 WeakPolarHBondContact O-CB 3.28Å; G314-N317 PolarHBondContact O-N 3.47Å |
| 315 | W | 88.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -33 | 176.3 | -65.3 | -18.3 | 0 | 0 | 0 | 114.1 | L29 L32 V72 V76 M77 K80 V311 W312 N317 S318 | L29-W315 HydrophobicContact CD2-CE3 4.49Å; L29-W315 HydrophobicContact CD2-CZ3 4.19Å; L32-W315 HydrophobicContact CD2-CB 4.03Å; V72-W315 HydrophobicContact CG1-CG 4.48Å; V76-W315 HydrophobicContact CG1-CZ2 4.01Å; M77-W315 HydrophobicContact CE-CB 3.72Å; M77-W315 HydrophobicContact CE-CG 4.07Å; M77-W315 HydrophobicContact CG-CD2 4.06Å; M77-W315 HydrophobicContact CG-CE3 4.14Å; M77-W315 HydrophobicContact CG-CG 4.34Å; K80-W315 HydrophobicContact CB-CH2 3.73Å; K80-W315 HydrophobicContact CB-CZ2 4.34Å; K80-W315 HydrophobicContact CG-CH2 3.51Å; K80-W315 HydrophobicContact CG-CZ2 4.21Å; V311-W315 HydrophobicContact CG1-CD2 4.12Å; V311-W315 HydrophobicContact CG1-CE3 4.5Å; V311-W315 HydrophobicContact CG1-CH2 3.84Å; V311-W315 HydrophobicContact CG1-CZ2 3.39Å; V311-W315 HydrophobicContact CG1-CZ3 4.38Å; V311-W315 PolarHBondContact O-N 3.04Å; W312-W315 AromaticContact CD1-CE3 3.7Å; W312-W315 AromaticContact CD1-CZ3 3.35Å; W312-W315 HydrophobicContact CG-CE3 4.41Å; W312-W315 HydrophobicContact CG-CZ3 4.37Å; W312-W315 AromaticContact NE1-CZ3 3.92Å; W312-W315 PolarHBondContact O-N 3.32Å; W315-N317 PolarHBondContact O-N 3.23Å; W315-N317 VanDerWaalsContact O-N 3.15Å; W315-S318 WeakPolarHBondContact O-CB 3.38Å; W315-S318 PolarHBondContact O-N 2.81Å |
| 316 | A | 89.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 30.9 Ų | 30.9 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.3 | -28.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L32 W312 F313 G314 S318 S319 L320 | L32-A316 HydrophobicContact CD1-CB 4.32Å; W312-A316 WeakPolarHBondContact O-CB 3.37Å; W312-A316 PolarHBondContact O-N 2.97Å; F313-A316 WeakPolarHBondContact O-CB 3.49Å; F313-A316 PolarHBondContact O-N 3Å; G314-A316 VanDerWaalsContact C-N 3.34Å; G314-A316 PolarHBondContact O-N 3.11Å; A316-S318 VanDerWaalsContact C-N 3.29Å; A316-S318 PolarHBondContact O-N 3.29Å; A316-S319 WeakPolarHBondContact O-CB 3.4Å; A316-S319 PolarHBondContact O-N 3.04Å; A316-S319 PolarHBondContact O-OG 2.83Å; A316-L320 VanDerWaalsContact O-CG 3.3Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.95Å |
| 317 | N | 89.3 | Confident | 87 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -51.9 | -46.7 | 171.8 | -177.1 | 68.7 | 0 | 0 | 0 | 112.5 | F274 C277 W278 G314 W315 S319 L320 N321 | F274-N317 WeakPolarHBondContact CA-OD1 3.28Å; C277-N317 HydrophobicContact CB-CB 3.88Å; W278-N317 PolarHBondContact NE1-ND2 3.24Å; G314-N317 WeakPolarHBondContact O-CB 3.28Å; G314-N317 PolarHBondContact O-N 3.47Å; W315-N317 PolarHBondContact O-N 3.23Å; W315-N317 VanDerWaalsContact O-N 3.15Å; N317-S319 VanDerWaalsContact C-N 3.26Å; N317-S319 PolarHBondContact O-N 3.11Å; N317-L320 PolarHBondContact O-N 3.01Å; N317-L320 VanDerWaalsContact O-N 3.13Å; N317-N321 PolarHBondContact O-N 2.98Å |
| 318 | S | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -30 | 179.3 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | N40 D69 W315 A316 | N40-S318 PolarHBondContact ND2-O 2.57Å; D69-S318 VanDerWaalsContact OD1-CB 3.28Å; D69-S318 WeakPolarHBondContact OD1-CB 3.41Å; D69-S318 PolarHBondContact OD1-OG 3.47Å; W315-S318 WeakPolarHBondContact O-CB 3.38Å; W315-S318 PolarHBondContact O-N 2.81Å; A316-S318 VanDerWaalsContact C-N 3.29Å; A316-S318 PolarHBondContact O-N 3.29Å |
| 319 | S | 90.7 | Very high | 87.3 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -77 | -26.9 | 175 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | T36 A316 N317 | T36-S319 VanDerWaalsContact OG1-CB 3.32Å; T36-S319 WeakPolarHBondContact OG1-CB 3.35Å; A316-S319 WeakPolarHBondContact O-CB 3.4Å; A316-S319 PolarHBondContact O-N 3.04Å; A316-S319 PolarHBondContact O-OG 2.83Å; N317-S319 VanDerWaalsContact C-N 3.26Å; N317-S319 PolarHBondContact O-N 3.11Å |
| 320 | L | 90 | Very high | 87.3 | Confident | 56 Ų | 56 | 37.9 Ų | 37.9 | 29% | 0.293 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -81.9 | -26.6 | -177.5 | -68.8 | 171.1 | 0 | 0 | 0 | 112.5 | V273 A316 N317 I323 I324 | V273-L320 HydrophobicContact CG1-CB 4.29Å; V273-L320 HydrophobicContact CG1-CD1 3.5Å; A316-L320 VanDerWaalsContact O-CG 3.3Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.95Å; N317-L320 PolarHBondContact O-N 3.01Å; N317-L320 VanDerWaalsContact O-N 3.13Å; L320-I323 HydrophobicContact CD2-CD1 4.16Å; L320-I323 WeakPolarHBondContact O-CB 3.33Å; L320-I323 PolarHBondContact O-N 3.45Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 3.49Å |
| 321 | N | 87.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.4 | -49.8 | -178.3 | -73.1 | -26.1 | 0 | 0 | 0 | 113.8 | D69 N317 I323 I324 Y325 | D69-N321 PolarHBondContact OD2-ND2 2.9Å; N317-N321 PolarHBondContact O-N 2.98Å; N321-I323 VanDerWaalsContact C-N 3.33Å; N321-I323 PolarHBondContact O-N 3.2Å; N321-I324 PolarHBondContact O-N 2.73Å; N321-I324 VanDerWaalsContact O-N 3.12Å; N321-Y325 HydrophobicContact CB-CE2 4.23Å; N321-Y325 WeakPolarHBondContact O-CD2 3.43Å; N321-Y325 PolarHBondContact O-N 3.24Å |
| 322 | P | 89.3 | Confident | 87.6 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 175.4 | -26.2 | 35.7 | 0 | 0 | 0 | 114.4 | V43 I324 Y325 A326 | V43-P322 HydrophobicContact CG2-CB 4.02Å; V43-P322 HydrophobicContact CG2-CG 4.18Å; P322-I324 VanDerWaalsContact C-N 3.29Å; P322-I324 PolarHBondContact O-N 2.85Å; P322-Y325 PolarHBondContact O-N 3.03Å; P322-A326 PolarHBondContact O-N 2.98Å; P322-A326 VanDerWaalsContact O-N 3.09Å |
| 323 | I | 88.1 | Confident | 87.6 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.3 | -62.5 | 169.6 | 0 | 0 | 0 | 109.4 | L320 N321 Y325 A326 | L320-I323 HydrophobicContact CD2-CD1 4.16Å; L320-I323 WeakPolarHBondContact O-CB 3.33Å; L320-I323 PolarHBondContact O-N 3.45Å; N321-I323 VanDerWaalsContact C-N 3.33Å; N321-I323 PolarHBondContact O-N 3.2Å; I323-Y325 VanDerWaalsContact C-N 3.33Å; I323-Y325 PolarHBondContact O-N 3.45Å; I323-A326 WeakPolarHBondContact O-CB 3.49Å; I323-A326 PolarHBondContact O-N 3.03Å; I323-A326 VanDerWaalsContact O-N 3.15Å |
| 324 | I | 85.3 | Confident | 87.7 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 179.8 | -55.1 | 161.5 | 0 | 0 | 0 | 111.1 | T266 I270 V273 L320 N321 P322 A326 F327 | T266-I324 HydrophobicContact CG2-CG2 4.24Å; I270-I324 HydrophobicContact CB-CG2 4.46Å; I270-I324 HydrophobicContact CD1-CG2 3.77Å; I270-I324 HydrophobicContact CG1-CB 4.2Å; I270-I324 HydrophobicContact CG1-CD1 4.21Å; I270-I324 HydrophobicContact CG1-CG2 3.16Å; V273-I324 HydrophobicContact CG1-CD1 4.47Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 3.49Å; N321-I324 PolarHBondContact O-N 2.73Å; N321-I324 VanDerWaalsContact O-N 3.12Å; P322-I324 VanDerWaalsContact C-N 3.29Å; P322-I324 PolarHBondContact O-N 2.85Å; I324-A326 PolarHBondContact O-N 3.49Å; I324-F327 HydrophobicContact CG2-CD2 4.31Å; I324-F327 WeakPolarHBondContact O-CB 3.48Å; I324-F327 WeakPolarHBondContact O-CD2 3.25Å; I324-F327 PolarHBondContact O-N 3.05Å; I324-F327 VanDerWaalsContact O-N 3.12Å |
| 325 | Y | 85.2 | Confident | 88 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -29 | 174 | -60.1 | -43 | 0 | 0 | 0 | 113.1 | V43 V62 L65 N321 P322 I323 F327 N328 F331 | V43-Y325 HydrophobicContact CG1-CD2 4.26Å; V43-Y325 HydrophobicContact CG1-CE2 4.38Å; V43-Y325 HydrophobicContact CG2-CD2 3.82Å; V43-Y325 HydrophobicContact CG2-CE2 4.44Å; V62-Y325 HydrophobicContact CG1-CD2 4.13Å; V62-Y325 HydrophobicContact CG1-CE1 4.15Å; V62-Y325 HydrophobicContact CG1-CE2 3.65Å; V62-Y325 HydrophobicContact CG2-CE1 4.14Å; L65-Y325 WeakPolarHBondContact CD2-OH 3.42Å; N321-Y325 HydrophobicContact CB-CE2 4.23Å; N321-Y325 WeakPolarHBondContact O-CD2 3.43Å; N321-Y325 PolarHBondContact O-N 3.24Å; P322-Y325 PolarHBondContact O-N 3.03Å; I323-Y325 VanDerWaalsContact C-N 3.33Å; I323-Y325 PolarHBondContact O-N 3.45Å; Y325-F327 PolarHBondContact O-N 3.17Å; Y325-N328 VanDerWaalsContact O-CB 3.29Å; Y325-N328 WeakPolarHBondContact O-CB 3.46Å; Y325-N328 PolarHBondContact O-N 2.9Å; Y325-F331 VanDerWaalsContact O-CB 3.27Å; Y325-F331 WeakPolarHBondContact O-CB 3.5Å |
| 326 | A | 87.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 45 Ų | 45 | 26% | 0.256 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P322 I323 I324 N328 R332 F335 | P322-A326 PolarHBondContact O-N 2.98Å; P322-A326 VanDerWaalsContact O-N 3.09Å; I323-A326 WeakPolarHBondContact O-CB 3.49Å; I323-A326 PolarHBondContact O-N 3.03Å; I323-A326 VanDerWaalsContact O-N 3.15Å; I324-A326 PolarHBondContact O-N 3.49Å; A326-N328 VanDerWaalsContact C-N 3.27Å; A326-R332 WeakPolarHBondContact O-CB 3.45Å; A326-F335 HydrophobicContact CB-CD2 4.06Å; A326-F335 HydrophobicContact CB-CE2 4.12Å |
| 327 | F | 83.1 | Confident | 88.1 | Confident | 127 Ų | 127 | 47.7 Ų | 47.7 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -20 | 168.8 | -66.1 | -63.9 | 0 | 0 | 0 | 113 | T266 I324 Y325 | T266-F327 HydrophobicContact CG2-CB 3.93Å; I324-F327 HydrophobicContact CG2-CD2 4.31Å; I324-F327 WeakPolarHBondContact O-CB 3.48Å; I324-F327 WeakPolarHBondContact O-CD2 3.25Å; I324-F327 PolarHBondContact O-N 3.05Å; I324-F327 VanDerWaalsContact O-N 3.12Å; Y325-F327 PolarHBondContact O-N 3.17Å |
| 328 | N | 83.3 | Confident | 88.1 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 35% | 0.353 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -78.4 | 126 | 172.4 | -174.5 | -51.7 | 0 | 0 | 0 | 109.9 | Y325 A326 D330 F331 R332 | Y325-N328 VanDerWaalsContact O-CB 3.29Å; Y325-N328 WeakPolarHBondContact O-CB 3.46Å; Y325-N328 PolarHBondContact O-N 2.9Å; A326-N328 VanDerWaalsContact C-N 3.27Å; N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 2.78Å; N328-D330 WeakPolarHBondContact OD1-CB 3.3Å; N328-D330 PolarHBondContact OD1-N 3.39Å; N328-F331 HydrophobicContact CB-CB 4.3Å; N328-F331 HydrophobicContact CB-CD2 4.06Å; N328-F331 PolarHBondContact O-N 3.16Å; N328-R332 WeakPolarHBondContact O-CB 3.39Å; N328-R332 PolarHBondContact O-N 2.86Å |
| 329 | A | 83.8 | Confident | 88.2 | Confident | 59 Ų | 59 | 55 Ų | 55 | 49% | 0.488 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K333 | A329-K333 WeakPolarHBondContact O-CB 3.45Å; A329-K333 PolarHBondContact O-N 3.23Å |
| 330 | D | 87.3 | Confident | 87.8 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.3 | -46.5 | -180 | -62.8 | -22.6 | 0 | 0 | 0 | 110.4 | L53 K56 N328 K333 A334 | L53-D330 HydrophobicContact CD2-CB 3.72Å; K56-D330 IonicContact NZ-OD2 3.98Å; K56-D330 PolarHBondContact NZ-OD2 3.39Å; N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 2.78Å; N328-D330 WeakPolarHBondContact OD1-CB 3.3Å; N328-D330 PolarHBondContact OD1-N 3.39Å; D330-K333 PolarHBondContact O-N 2.74Å; D330-A334 PolarHBondContact O-N 2.87Å |
| 331 | F | 88.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.7 | -83.8 | -83.9 | 0 | 0 | 0 | 111.9 | V43 V47 L53 V62 Y325 N328 K333 A334 F335 | V43-F331 HydrophobicContact CG1-CE1 4.47Å; V47-F331 HydrophobicContact CG2-CE1 3.61Å; V47-F331 HydrophobicContact CG2-CZ 3.78Å; L53-F331 HydrophobicContact CD1-CD1 4.38Å; L53-F331 HydrophobicContact CD1-CE1 4.4Å; L53-F331 HydrophobicContact CD2-CD2 4.33Å; L53-F331 HydrophobicContact CD2-CE2 4.23Å; V62-F331 HydrophobicContact CG1-CE1 4.42Å; V62-F331 HydrophobicContact CG1-CZ 4.07Å; Y325-F331 VanDerWaalsContact O-CB 3.27Å; Y325-F331 WeakPolarHBondContact O-CB 3.5Å; N328-F331 HydrophobicContact CB-CB 4.3Å; N328-F331 HydrophobicContact CB-CD2 4.06Å; N328-F331 PolarHBondContact O-N 3.16Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 2.8Å; F331-A334 WeakPolarHBondContact O-CB 3.43Å; F331-A334 PolarHBondContact O-N 2.92Å; F331-A334 VanDerWaalsContact O-N 3.14Å; F331-F335 HydrophobicContact CB-CE2 4.25Å; F331-F335 HydrophobicContact CB-CZ 4.27Å; F331-F335 HydrophobicContact CD1-CE1 4.03Å; F331-F335 AromaticContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CG-CZ 4.49Å; F331-F335 WeakPolarHBondContact O-CB 3.3Å; F331-F335 WeakPolarHBondContact O-CG 3.13Å; F331-F335 PolarHBondContact O-N 2.91Å |
| 332 | R | 90.1 | Very high | 85.5 | Confident | 153 Ų | 153 | 62 Ų | 62 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.4 | -42 | 177 | -169.1 | 170.2 | 62.2 | -170.2 | 0.9 | 112.3 | A326 N328 S336 | A326-R332 WeakPolarHBondContact O-CB 3.45Å; N328-R332 WeakPolarHBondContact O-CB 3.39Å; N328-R332 PolarHBondContact O-N 2.86Å; R332-S336 WeakPolarHBondContact O-CB 3.41Å; R332-S336 PolarHBondContact O-N 3.37Å |
| 333 | K | 89.1 | Confident | 83.9 | Confident | 146 Ų | 146 | 72.6 Ų | 72.6 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 175.7 | -173.4 | 174.4 | -177.6 | 174.7 | 0 | 111 | A329 D330 F331 S336 I337 | A329-K333 WeakPolarHBondContact O-CB 3.45Å; A329-K333 PolarHBondContact O-N 3.23Å; D330-K333 PolarHBondContact O-N 2.74Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 2.8Å; K333-S336 PolarHBondContact O-N 3.44Å; K333-I337 HydrophobicContact CG-CD1 4.16Å; K333-I337 WeakPolarHBondContact O-CG1 3.29Å; K333-I337 PolarHBondContact O-N 2.92Å; K333-I337 VanDerWaalsContact O-N 3.13Å |
| 334 | A | 90.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A46 F50 L53 D330 F331 I337 L338 | A46-A334 HydrophobicContact CB-CB 4Å; F50-A334 HydrophobicContact CD2-CB 3.43Å; F50-A334 VanDerWaalsContact CD2-CB 3.43Å; F50-A334 HydrophobicContact CE2-CB 3.43Å; F50-A334 VanDerWaalsContact CE2-CB 3.43Å; F50-A334 HydrophobicContact CG-CB 4.23Å; F50-A334 HydrophobicContact CZ-CB 4.21Å; L53-A334 HydrophobicContact CD1-CB 3.85Å; D330-A334 PolarHBondContact O-N 2.87Å; F331-A334 WeakPolarHBondContact O-CB 3.43Å; F331-A334 PolarHBondContact O-N 2.92Å; F331-A334 VanDerWaalsContact O-N 3.14Å; A334-I337 PolarHBondContact O-N 2.92Å; A334-L338 WeakPolarHBondContact O-CG 3.3Å; A334-L338 PolarHBondContact O-N 3.05Å |
| 335 | F | 93.1 | Very high | 80.5 | Confident | 15 Ų | 15 | 78.7 Ų | 78.7 | 7% | 0.066 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 177.9 | -64.3 | -16 | 0 | 0 | 0 | 112.1 | L42 V43 A46 A326 F331 I337 L338 L339 | L42-F335 HydrophobicContact CD1-CD1 4.3Å; L42-F335 HydrophobicContact CD2-CB 4.11Å; L42-F335 HydrophobicContact CD2-CD1 3.71Å; L42-F335 HydrophobicContact CD2-CD2 4.36Å; L42-F335 HydrophobicContact CD2-CE1 4.18Å; L42-F335 HydrophobicContact CD2-CG 3.82Å; L42-F335 HydrophobicContact CG-CD1 3.61Å; L42-F335 HydrophobicContact CG-CE1 3.89Å; L42-F335 HydrophobicContact CG-CG 4.25Å; V43-F335 HydrophobicContact CG2-CE1 4.4Å; V43-F335 HydrophobicContact CG2-CZ 3.86Å; A46-F335 HydrophobicContact CB-CD1 3.97Å; A46-F335 HydrophobicContact CB-CE1 3.69Å; A326-F335 HydrophobicContact CB-CD2 4.06Å; A326-F335 HydrophobicContact CB-CE2 4.12Å; F331-F335 HydrophobicContact CB-CE2 4.25Å; F331-F335 HydrophobicContact CB-CZ 4.27Å; F331-F335 HydrophobicContact CD1-CE1 4.03Å; F331-F335 AromaticContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CD1-CZ 3.8Å; F331-F335 HydrophobicContact CG-CZ 4.49Å; F331-F335 WeakPolarHBondContact O-CB 3.3Å; F331-F335 WeakPolarHBondContact O-CG 3.13Å; F331-F335 PolarHBondContact O-N 2.91Å; F335-I337 VanDerWaalsContact C-N 3.3Å; F335-I337 PolarHBondContact O-N 3.02Å; F335-L338 PolarHBondContact O-N 2.75Å; F335-L339 WeakPolarHBondContact O-CB 3.48Å; F335-L339 WeakPolarHBondContact O-CG 3.12Å; F335-L339 PolarHBondContact O-N 2.86Å |
| 336 | S | 89.3 | Confident | 78.6 | Confident | 41 Ų | 41 | 83.7 Ų | 83.7 | 29% | 0.287 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | R332 K333 G340 C341 | R332-S336 WeakPolarHBondContact O-CB 3.41Å; R332-S336 PolarHBondContact O-N 3.37Å; K333-S336 PolarHBondContact O-N 3.44Å; S336-G340 PolarHBondContact O-N 3.4Å; S336-C341 PolarHBondContact O-N 2.97Å |
| 337 | I | 89.4 | Confident | 76.9 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 40% | 0.395 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 176.1 | -66.3 | 165.5 | 0 | 0 | 0 | 110.9 | F50 K333 A334 F335 G340 | F50-I337 HydrophobicContact CE1-CD1 3.97Å; F50-I337 HydrophobicContact CE1-CG2 4.34Å; F50-I337 HydrophobicContact CZ-CB 3.94Å; F50-I337 HydrophobicContact CZ-CD1 4.08Å; F50-I337 HydrophobicContact CZ-CG2 3.83Å; K333-I337 HydrophobicContact CG-CD1 4.16Å; K333-I337 WeakPolarHBondContact O-CG1 3.29Å; K333-I337 PolarHBondContact O-N 2.92Å; K333-I337 VanDerWaalsContact O-N 3.13Å; A334-I337 PolarHBondContact O-N 2.92Å; F335-I337 VanDerWaalsContact C-N 3.3Å; F335-I337 PolarHBondContact O-N 3.02Å; I337-G340 PolarHBondContact O-N 2.93Å |
| 338 | L | 90.9 | Very high | 75.2 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 23% | 0.23 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | -178.6 | -74.3 | 171.3 | 0 | 0 | 0 | 113.1 | L42 V45 A46 K49 F50 A334 F335 G340 | L42-L338 HydrophobicContact CD1-CB 3.7Å; L42-L338 HydrophobicContact CD1-CD1 3.71Å; L42-L338 HydrophobicContact CD1-CG 4.35Å; V45-L338 HydrophobicContact CB-CD1 4.43Å; V45-L338 HydrophobicContact CG1-CD1 3.92Å; V45-L338 HydrophobicContact CG1-CD2 3.77Å; A46-L338 HydrophobicContact CB-CD1 3.86Å; K49-L338 HydrophobicContact CD-CD2 3.76Å; F50-L338 HydrophobicContact CE2-CD1 4.02Å; F50-L338 HydrophobicContact CE2-CD2 4.46Å; F50-L338 HydrophobicContact CE2-CG 3.96Å; F50-L338 HydrophobicContact CZ-CG 4.46Å; A334-L338 WeakPolarHBondContact O-CG 3.3Å; A334-L338 PolarHBondContact O-N 3.05Å; F335-L338 PolarHBondContact O-N 2.75Å; L338-G340 PolarHBondContact O-N 3.29Å |
| 339 | L | 89.6 | Confident | 73.1 | Confident | 112 Ų | 112 | 88.2 Ų | 88.2 | 59% | 0.586 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.4 | 177.7 | -65.6 | 171.2 | 0 | 0 | 0 | 112.9 | L42 F335 C341 | L42-L339 HydrophobicContact CD1-CG 4.49Å; L42-L339 HydrophobicContact CD2-CD1 4.13Å; L42-L339 HydrophobicContact CD2-CD2 4.43Å; L42-L339 HydrophobicContact CD2-CG 4.3Å; F335-L339 WeakPolarHBondContact O-CB 3.48Å; F335-L339 WeakPolarHBondContact O-CG 3.12Å; F335-L339 PolarHBondContact O-N 2.86Å; L339-C341 PolarHBondContact O-N 3.28Å |
| 340 | G | 83.1 | Confident | 70.9 | Confident | 33 Ų | 33 | 90.1 Ų | 90.1 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 11.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S336 I337 L338 H342 R343 | S336-G340 PolarHBondContact O-N 3.4Å; I337-G340 PolarHBondContact O-N 2.93Å; L338-G340 PolarHBondContact O-N 3.29Å; G340-H342 PolarHBondContact O-N 2.94Å; G340-R343 PolarHBondContact O-N 2.88Å |
| 341 | C | 71.3 | Confident | 68.7 | Low | 51 Ų | 51 | 94.7 Ų | 94.7 | 35% | 0.345 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -60.5 | -16.5 | -179.1 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | S336 L339 R343 L344 C345 | S336-C341 PolarHBondContact O-N 2.97Å; L339-C341 PolarHBondContact O-N 3.28Å; C341-R343 PolarHBondContact O-N 2.92Å; C341-L344 PolarHBondContact O-N 2.71Å; C341-C345 PolarHBondContact O-N 2.93Å |
| 342 | H | 58.2 | Low | 66.2 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -64.6 | -18.5 | 172.3 | -139.9 | -57 | 0 | 0 | 0 | 113.6 | G340 | G340-H342 PolarHBondContact O-N 2.94Š|
| 343 | R | 55.3 | Low | 63.6 | Low | 235 Ų | 235 | 102.2 Ų | 102.2 | 89% | 0.887 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -86.8 | -14.8 | 172.4 | -66.5 | -168.2 | 178.5 | -165.7 | 0.6 | 113.5 | G340 C341 | G340-R343 PolarHBondContact O-N 2.88Å; C341-R343 PolarHBondContact O-N 2.92Å |
| 344 | L | 53.9 | Low | 61 | Low | 139 Ų | 139 | 99.9 Ų | 99.9 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -22.3 | -175.7 | -69.7 | 166 | 0 | 0 | 0 | 113.2 | C341 | C341-L344 PolarHBondContact O-N 2.71Š|
| 345 | C | 47.1 | Very low | 58.2 | Low | 97 Ų | 97 | 104.7 Ų | 104.7 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | trans | -133.8 | 91.4 | 175 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | C341 G347 | C341-C345 PolarHBondContact O-N 2.93Å; C345-G347 VanDerWaalsContact C-N 3.29Å; C345-G347 PolarHBondContact O-N 3.14Å | ||
| 346 | P | 45.2 | Very low | 55.4 | Low | 129 Ų | 129 | 111 Ų | 111 | 84% | 0.838 | 64% | 0.636 | S | S | * | * | trans | -78.6 | 77.9 | 169.7 | 32.1 | -30.3 | 0 | 0 | 0 | 109.2 | ||||
| 347 | G | 53 | Low | 52.8 | Low | 62 Ų | 62 | 116.7 Ų | 116.7 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | trans | 165.2 | 76.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | C345 | C345-G347 VanDerWaalsContact C-N 3.29Å; C345-G347 PolarHBondContact O-N 3.14Å | ||
| 348 | S | 46.2 | Very low | 50.2 | Low | 112 Ų | 112 | 119.7 Ų | 119.7 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 176.7 | 117.7 | 132.5 | -92.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 349 | N | 40 | Very low | 47.5 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | 81 | 57.9 | 169.3 | -48.1 | -22.7 | 0 | 0 | 0 | 116.3 | I351 | N349-I351 PolarHBondContact O-N 3.07Š| ||
| 350 | A | 37.6 | Very low | 44.7 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -68 | 101.8 | 139 | 0 | 0 | 0 | 0 | 0 | 107 | E352 | A350-E352 PolarHBondContact O-N 3.42Å; A350-E352 VanDerWaalsContact O-N 3.08Å | ||
| 351 | I | 40.9 | Very low | 42.3 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -73.9 | 92.9 | 158.5 | -64.3 | 177.4 | 0 | 0 | 0 | 104.4 | N349 I353 | N349-I351 PolarHBondContact O-N 3.07Å; I351-I353 PolarHBondContact O-N 2.9Å | ||
| 352 | E | 35.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -66.9 | 111.9 | 164.7 | -163.6 | 172.2 | -155.7 | 0 | 0 | 106.4 | A350 V354 | A350-E352 PolarHBondContact O-N 3.42Å; A350-E352 VanDerWaalsContact O-N 3.08Å; E352-V354 HydrophobicContact CB-CG2 4.36Å; E352-V354 HydrophobicContact CG-CG2 3.99Å; E352-V354 PolarHBondContact O-N 3Å | ||
| 353 | I | 36.3 | Very low | 39.3 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | trans | -72.6 | 86.1 | 169.4 | -59.2 | 176.5 | 0 | 0 | 0 | 105.4 | I351 S355 | I351-I353 PolarHBondContact O-N 2.9Å; I353-S355 PolarHBondContact O-N 3.4Å | ||
| 354 | V | 33.9 | Very low | 38.6 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 108.8 | 167.6 | 175.7 | 0 | 0 | 0 | 0 | 106.7 | E352 I356 | E352-V354 HydrophobicContact CB-CG2 4.36Å; E352-V354 HydrophobicContact CG-CG2 3.99Å; E352-V354 PolarHBondContact O-N 3Å; V354-I356 PolarHBondContact O-N 3.02Å; V354-I356 VanDerWaalsContact O-N 3.15Å | ||
| 355 | S | 33.1 | Very low | 37.3 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -67.5 | 107.4 | 164.5 | 60.8 | 0 | 0 | 0 | 0 | 107.8 | I353 N357 | I353-S355 PolarHBondContact O-N 3.4Å; S355-N357 PolarHBondContact O-N 3.22Å | ||
| 356 | I | 34.2 | Very low | 36.4 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 97.1 | 171.7 | -59.8 | 173.7 | 0 | 0 | 0 | 106.9 | V354 | V354-I356 PolarHBondContact O-N 3.02Å; V354-I356 VanDerWaalsContact O-N 3.15Å | ||
| 357 | N | 33.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 106.5 | 159.5 | -113 | 11.7 | 0 | 0 | 0 | 107 | S355 N359 | S355-N357 PolarHBondContact O-N 3.22Å; N357-N359 PolarHBondContact O-N 2.9Å | ||
| 358 | N | 34.8 | Very low | 34 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 104.8 | 175.7 | -158.8 | 25.9 | 0 | 0 | 0 | 108.2 | ||||
| 359 | N | 34 | Very low | 33 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -164.1 | 122.6 | 145.9 | -95.4 | -10.9 | 0 | 0 | 0 | 108.3 | N357 | N357-N359 PolarHBondContact O-N 2.9Š| ||
| 360 | G | 31.9 | Very low | 32.8 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -78.5 | 178.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 361 | S | 31.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 91.2 | 97.7 | 164.6 | 63.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 362 | Q | 28.6 | Very low | 31.4 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 82.6 | 138.6 | 145.9 | -76.5 | 179.1 | -22 | 0 | 0 | 122.5 | ||||
| 363 | P | 39.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -89.9 | 176.9 | 177.7 | 42.5 | -36.1 | 0 | 0 | 0 | 110.6 | ||||
| 364 | P | 40.1 | Very low | 30.6 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -153.3 | -170.1 | 33.8 | 40.6 | -16 | 0 | 0 | 0 | 117.9 | ||||
| 365 | A | 25.6 | Very low | 30.2 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 100 | 128.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 366 | S | 28.9 | Very low | 29.8 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -65.5 | 131.6 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 367 | Q | 25 | Very low | 29.4 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -156.6 | 144.8 | 144 | -133.5 | 167.2 | -1.6 | 0 | 0 | 113.7 | ||||
| 368 | Y | 22 | Very low | 28.9 | Very low | 215 Ų | 215 | 142.8 Ų | 142.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -77.5 | 160.8 | -175 | -109.8 | -109.8 | 0 | 0 | 0 | 113.6 | ||||
| 369 | Q | 26.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | 99.9 | 151.7 | 145 | -81 | -115.3 | -21.5 | 0 | 0 | 121.5 | ||||
| 370 | P | 34.7 | Very low | 27.9 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | trans | -125 | -176 | -135.1 | 44.7 | -32.2 | 0 | 0 | 0 | 115.6 | ||||
| 371 | K | 25 | Very low | 27.6 | Very low | 207 Ų | 207 | 143.1 Ų | 143.1 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | trans | 86.6 | 129.2 | 163.5 | -69.1 | 179.7 | 175.4 | 178.4 | 0 | 117.9 | ||||
| 372 | G | 24.5 | Very low | 27.3 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | 122.4 | 115.1 | 126 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 373 | H | 24.6 | Very low | 27.1 | Very low | 192 Ų | 192 | 143 Ų | 143 | 89% | 0.889 | 78% | 0.78 | S | S | * | * | trans | 73.4 | 128.2 | 143.5 | -98.3 | -65.7 | 0 | 0 | 0 | 122.8 | ||||
| 374 | I | 30 | Very low | 26.4 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 144.4 | 165.5 | -61.2 | 162.7 | 0 | 0 | 0 | 110.6 | ||||
| 375 | P | 26.8 | Very low | 25.8 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | -128.7 | 150.9 | 123.6 | 6.5 | 15.3 | 0 | 0 | 0 | 113.9 | |||||
| 376 | K | 25.2 | Very low | 26 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -81.3 | 170.7 | 174.3 | -77.8 | 178.3 | 165 | 178.3 | 0 | 112.2 | ||||
| 377 | E | 25.3 | Very low | 25.9 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 79.4 | 144.6 | 162 | -71.3 | -179.1 | 178.7 | 0 | 0 | 116.1 | ||||
| 378 | S | 22.3 | Very low | 26 | Very low | 86 Ų | 86 | 146.7 Ų | 146.7 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | cis | -174.7 | 150.6 | -6.1 | 153.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 379 | N | 25.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 95.7 | 115 | 150.7 | -71.6 | -11.9 | 0 | 0 | 0 | 122.8 | ||||
| 380 | N | 23.1 | Very low | 26.2 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 69.4 | 108.7 | 128.1 | -62.2 | -7.9 | 0 | 0 | 0 | 120.8 | |||||
| 381 | A | 25.9 | Very low | 25.6 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | -164.7 | 114.6 | 115.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 382 | T | 23.8 | Very low | 25.6 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | 6.1 | 133.3 | 141.8 | -36.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 383 | Y | 24.4 | Very low | 25.6 | Very low | 197 Ų | 197 | 149.5 Ų | 149.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | 172.4 | 124.5 | 110.5 | -88.9 | -73 | 0 | 0 | 0 | 113.4 | |||||
| 384 | M | 26.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 149 Ų | 149 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | 59.5 | 114.3 | 145.9 | -71.2 | -178 | -174.7 | 0 | 0 | 122.4 | ||||
| 385 | I | 26.4 | Very low | 25.3 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -87.8 | 148.4 | 152.6 | -43.7 | 171.3 | 0 | 0 | 0 | 107.5 | ||||
| 386 | P | 29.3 | Very low | 25.1 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | -147.9 | 150.4 | 96.1 | 41.2 | -25 | 0 | 0 | 0 | 111.7 | |||||
| 387 | H | 27.7 | Very low | 25.2 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | cis | -155.4 | 136.7 | 15.9 | -85.5 | -82.5 | 0 | 0 | 0 | 107.2 | ||||
| 388 | S | 26.4 | Very low | 25.1 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -158.9 | 125.5 | 141.8 | 56 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 389 | I | 28 | Very low | 25.2 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 118.1 | 175.9 | -67.7 | 167.7 | 0 | 0 | 0 | 107.1 | ||||
| 390 | L | 24.7 | Very low | 25.1 | Very low | 166 Ų | 166 | 160.8 Ų | 160.8 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -111.5 | 124.9 | 160.6 | -160.8 | 90.1 | 0 | 0 | 0 | 107.2 | ||||
| 391 | C | 24 | Very low | 25.2 | Very low | 116 Ų | 116 | 157 Ų | 157 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 138 | 172.8 | -68.5 | 0 | 0 | 0 | 0 | 111 | ||
| 392 | Q | 23.4 | Very low | 25.2 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 126.9 | 174.4 | -160 | 166.8 | 2.2 | 0 | 0 | 108.6 | ||
| 393 | E | 24.8 | Very low | 25.2 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 122.5 | 162.9 | -82.6 | 170.9 | 144.4 | 0 | 0 | 108.5 | ||
| 394 | E | 25.3 | Very low | 25.3 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -105.1 | 111.8 | 163 | -80.2 | -172.6 | 158 | 0 | 0 | 109.1 | ||||
| 395 | E | 22.3 | Very low | 25.3 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -77.1 | 126 | 156.6 | -76.1 | -169.8 | 147.6 | 0 | 0 | 108.6 | ||||
| 396 | L | 24.1 | Very low | 25.3 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -126.9 | 134.2 | 165.8 | -159 | 70.9 | 0 | 0 | 0 | 111.6 | ||||
| 397 | Q | 26 | Very low | 25.1 | Very low | 187 Ų | 187 | 157.1 Ų | 157.1 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -59.5 | 150.8 | -171.1 | -68.6 | 175.1 | -31.8 | 0 | 0 | 115.1 | ||||
| 398 | K | 23.9 | Very low | 25 | Very low | 208 Ų | 208 | 155.2 Ų | 155.2 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -92.2 | 126 | 175.5 | -156.9 | 179.4 | -168.2 | 179.7 | 0 | 109.8 | ||||
| 399 | K | 23.9 | Very low | 25 | Very low | 190 Ų | 190 | 157.5 Ų | 157.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -153.9 | 117.4 | 156.4 | -123.6 | -176.5 | 179.1 | -179 | 0 | 112.6 | ||||
| 400 | D | 24.7 | Very low | 24.8 | Very low | 152 Ų | 152 | 157.8 Ų | 157.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 41.2 | 129.6 | 145.7 | -53.2 | -27 | 0 | 0 | 0 | 123.3 | ||||
| 401 | G | 24.3 | Very low | 24.8 | Very low | 68 Ų | 68 | 155 Ų | 155 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 131.7 | 106 | 137.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 402 | V | 24.9 | Very low | 25.3 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 93% | 0.933 | 81% | 0.808 | S | S | * | * | trans | 33.5 | 129.7 | 134.9 | -168.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 403 | G | 24.7 | Very low | 25.3 | Very low | 63 Ų | 63 | 151 Ų | 151 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | cis | 156.4 | 162 | 11.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 404 | I | 26.5 | Very low | 25.2 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 93.8 | 116.3 | 148.7 | -61.6 | -176.8 | 0 | 0 | 0 | 121.1 | ||||
| 405 | K | 26.4 | Very low | 25.1 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | 87.3 | 102 | 141 | -75.9 | 166.6 | -166.1 | 177.5 | 0 | 123.2 | ||||
| 406 | T | 26.8 | Very low | 25.2 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | 28.9 | 121.2 | 110.8 | -37.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 407 | L | 24.6 | Very low | 25.3 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -164.8 | 98 | 139.1 | -144.1 | 93.2 | 0 | 0 | 0 | 108.5 | ||||
| 408 | E | 25.9 | Very low | 25.3 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | 79.8 | 120.7 | 93.3 | -139.1 | -169.8 | 170.5 | 0 | 0 | 116.4 | |||||
| 409 | K | 25.3 | Very low | 25.4 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | 43.5 | 128 | 148.6 | -81.8 | 175.6 | -173 | 140.3 | 0 | 120.9 | ||||
| 410 | L | 24.8 | Very low | 25.5 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | 178.4 | 121.2 | 106.6 | -93.6 | 147.2 | 0 | 0 | 0 | 110.1 | |||||
| 411 | S | 24.7 | Very low | 25.7 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -94.3 | 156.1 | 148.2 | 77.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 412 | P | 34.3 | Very low | 26 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | -147.4 | 160.5 | 77.2 | 35.6 | -15.2 | 0 | 0 | 0 | 116.6 | |||||
| 413 | S | 23 | Very low | 26.1 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 19.1 | 130.5 | 150.6 | 61.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 414 | L | 22.8 | Very low | 26.4 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | -178.5 | 136.8 | 102.6 | -147.6 | 69.6 | 0 | 0 | 0 | 113.1 | |||||
| 415 | S | 24 | Very low | 26.5 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 61.1 | 104 | 144.6 | -180 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 416 | G | 22.5 | Very low | 26.8 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | 59.3 | 110.2 | 117 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 417 | N | 26.3 | Very low | 27.2 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -155.6 | 144 | 132.3 | -125.9 | -13 | 0 | 0 | 0 | 113.6 | ||||
| 418 | L | 26.3 | Very low | 27.7 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -59.7 | 133.3 | -173.5 | -81.1 | 61.1 | 0 | 0 | 0 | 113.6 | ||||
| 419 | G | 25.7 | Very low | 28.2 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -108.4 | 86.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 420 | S | 26.1 | Very low | 28.4 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -110.6 | 92.9 | 167.9 | 174.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 421 | D | 29.1 | Very low | 28.8 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 121.6 | 168.6 | -86.1 | -26.9 | 0 | 0 | 0 | 109.9 | ||
| 422 | A | 30.7 | Very low | 29.2 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 144.9 | -162 | 0 | 0 | 0 | 0 | 0 | 114.2 | V424 | A422-V424 PolarHBondContact O-N 3.14Š|
| 423 | D | 28.2 | Very low | 29 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 122.2 | 159.9 | -94.2 | -39.7 | 0 | 0 | 0 | 111 | ||
| 424 | V | 30.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -98 | 90.9 | 161.2 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | A422 L426 | A422-V424 PolarHBondContact O-N 3.14Å; V424-L426 PolarHBondContact O-N 2.96Å | ||
| 425 | S | 27 | Very low | 30 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -80.5 | 107.2 | 164.3 | -72.6 | 0 | 0 | 0 | 0 | 109.2 | E427 | S425-E427 VanDerWaalsContact C-N 3.29Å; S425-E427 PolarHBondContact O-N 3.37Å | ||
| 426 | L | 33.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -79.8 | 74.5 | 174.8 | -111.4 | 155.6 | 0 | 0 | 0 | 109.8 | V424 | V424-L426 PolarHBondContact O-N 2.96Š| ||
| 427 | E | 35.3 | Very low | 30.6 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -143.2 | 74.7 | 173.1 | -153.2 | 168.4 | -142.7 | 0 | 0 | 111.1 | S425 | S425-E427 VanDerWaalsContact C-N 3.29Å; S425-E427 PolarHBondContact O-N 3.37Å | ||
| 428 | K | 34.3 | Very low | 30.9 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | 179 | 103.3 | 150.2 | -107.3 | 170.8 | -178.9 | 176.8 | 0 | 109.7 | ||||
| 429 | I | 36.6 | Very low | 31 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | trans | -127.7 | 106.7 | 155.3 | -58.6 | 177.7 | 0 | 0 | 0 | 105.6 | ||||
| 430 | N | 29.7 | Very low | 31.4 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 152.6 | 168.2 | -92.6 | -5.3 | 0 | 0 | 0 | 109.6 | ||
| 431 | P | 33.3 | Very low | 31.6 | Very low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 143.8 | -169.8 | 30.2 | -33.6 | 0 | 0 | 0 | 112.5 | T433 | P431-T433 PolarHBondContact O-N 3.08Š|
| 432 | I | 32.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 121.7 | 175.2 | -63.6 | 167.4 | 0 | 0 | 0 | 109.2 | ||
| 433 | T | 31.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -99 | 132.1 | 161.4 | 35.6 | 0 | 0 | 0 | 0 | 110.2 | P431 | P431-T433 PolarHBondContact O-N 3.08Š|
| 434 | Q | 34.5 | Very low | 32 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 131.3 | 167.4 | -76.6 | 174.3 | -34.2 | 0 | 0 | 110.3 | ||
| 435 | N | 31.5 | Very low | 32.1 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 84% | 0.841 | S | S | * | * | 178.6 | 135.3 | 116.5 | -95.7 | -15.7 | 0 | 0 | 0 | 110.3 | |||||
| 436 | G | 30.4 | Very low | 32.4 | Very low | 71 Ų | 71 | 156.4 Ų | 156.4 | 73% | 0.732 | 85% | 0.847 | S | S | * | * | trans | -77.2 | 162.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 437 | Q | 28.3 | Very low | 32.3 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 94% | 0.935 | 85% | 0.849 | S | S | * | * | -170.7 | 138.8 | 124.2 | -104.8 | 177.7 | -11.2 | 0 | 0 | 109.5 | |||||
| 438 | H | 32.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 84% | 0.838 | 85% | 0.852 | S | S | * | * | trans | -43.2 | 142 | 170.2 | -92 | -90 | 0 | 0 | 0 | 113.6 | ||||
| 439 | K | 29.6 | Very low | 32 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 85% | 0.852 | S | S | * | * | -157 | 129.1 | 125.6 | -107.5 | 169.1 | -171.9 | -177.2 | 0 | 111.6 | |||||
| 440 | T | 34 | Very low | 31.7 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 77% | 0.767 | 86% | 0.857 | S | S | * | * | trans | -51.1 | 142.4 | 171.7 | 13.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 441 | V | 28.7 | Very low | 31.8 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 87% | 0.867 | 87% | 0.865 | S | S | * | * | trans | -122.1 | 114.1 | 158.4 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 442 | T | 32.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 156.9 Ų | 156.9 | 75% | 0.748 | 87% | 0.874 | S | S | * | * | trans | -87 | 151.3 | 167 | 22 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 443 | C | 33.6 | Very low | 31.6 | Very low | 203 Ų | 203 | 155.9 Ų | 155.9 | 100% | 1.372 | 88% | 0.875 | S | S | * | * | trans | 83.6 | 0 | 173.4 | -62.1 | 0 | 0 | 0 | 0 | 116 |
Retrieved 443 of 443 residues in 1482.5 ms
(Link to these results)