| 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 | 50.7 | Low | 72.7 | Confident | 244 Ų | 244 | 115.4 Ų | 115.4 | 100% | 1.202 | 61% | 0.605 | S | S | * | * | 0 | 108.9 | 0 | -81 | -178 | 165.3 | 0 | 0 | 106.7 | S3 | M1-S3 PolarHBondContact O-N 2.89Š| |||
| 2 | L | 54.8 | Low | 74.1 | Confident | 151 Ų | 151 | 114.2 Ų | 114.2 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | trans | -59.9 | 125 | 161.3 | -81.6 | 148.4 | 0 | 0 | 0 | 105.9 | ||||
| 3 | S | 60 | Low | 75.4 | Confident | 68 Ų | 68 | 112.3 Ų | 112.3 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | trans | -58.6 | 145 | 175 | 53.5 | 0 | 0 | 0 | 0 | 108.3 | M1 T5 G6 | M1-S3 PolarHBondContact O-N 2.89Å; S3-T5 WeakPolarHBondContact CB-OG1 3.4Å; S3-T5 PolarHBondContact O-N 2.94Å; S3-T5 PolarHBondContact OG-OG1 2.86Å; S3-G6 PolarHBondContact O-N 3.12Å | ||
| 4 | I | 67.3 | Low | 76.4 | Confident | 133 Ų | 133 | 108 Ų | 108 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -49.9 | -33.7 | 175.7 | -66.8 | 169.8 | 0 | 0 | 0 | 110.3 | G6 V7 E8 | I4-G6 VanDerWaalsContact C-N 3.35Å; I4-G6 PolarHBondContact O-N 3.15Å; I4-V7 PolarHBondContact O-N 2.69Å; I4-E8 PolarHBondContact O-N 3.07Å |
| 5 | T | 73.6 | Confident | 77.5 | Confident | 77 Ų | 77 | 107.9 Ų | 107.9 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.3 | -38.1 | 175 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | S3 V7 E8 E9 | S3-T5 WeakPolarHBondContact CB-OG1 3.4Å; S3-T5 PolarHBondContact O-N 2.94Å; S3-T5 PolarHBondContact OG-OG1 2.86Å; T5-V7 VanDerWaalsContact C-N 3.33Å; T5-V7 PolarHBondContact O-N 3.49Å; T5-E8 PolarHBondContact O-N 3.03Å; T5-E9 WeakPolarHBondContact O-CG 3.48Å; T5-E9 PolarHBondContact O-N 3.16Å |
| 6 | G | 76.1 | Confident | 78.4 | Confident | 15 Ų | 15 | 107.7 Ų | 107.7 | 16% | 0.155 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -73.6 | -24.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S3 I4 M10 | S3-G6 PolarHBondContact O-N 3.12Å; I4-G6 VanDerWaalsContact C-N 3.35Å; I4-G6 PolarHBondContact O-N 3.15Å; G6-M10 WeakPolarHBondContact O-CB 3.28Å; G6-M10 WeakPolarHBondContact O-CG 3.38Å; G6-M10 PolarHBondContact O-N 3.43Å |
| 7 | V | 78.5 | Confident | 79.2 | Confident | 89 Ų | 89 | 109.6 Ų | 109.6 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -76.7 | -41.2 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | I4 T5 M10 Q11 | I4-V7 PolarHBondContact O-N 2.69Å; T5-V7 VanDerWaalsContact C-N 3.33Å; T5-V7 PolarHBondContact O-N 3.49Å; V7-M10 PolarHBondContact O-N 3.45Å; V7-Q11 PolarHBondContact O-N 3.45Å; V7-Q11 VanDerWaalsContact O-N 3.08Å |
| 8 | E | 82.8 | Confident | 79.8 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -44.3 | 176.7 | -68.5 | 174.4 | 165.9 | 0 | 0 | 111.8 | I4 T5 M10 Q11 E12 | I4-E8 PolarHBondContact O-N 3.07Å; T5-E8 PolarHBondContact O-N 3.03Å; E8-M10 PolarHBondContact O-N 3.29Å; E8-Q11 PolarHBondContact O-N 2.85Å; E8-E12 PolarHBondContact O-N 2.95Å |
| 9 | E | 84.4 | Confident | 80.4 | Confident | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.9 | -42.1 | 175.9 | -75.9 | 174.2 | 178.2 | 0 | 0 | 112.5 | T5 Q11 E12 L13 | T5-E9 WeakPolarHBondContact O-CG 3.48Å; T5-E9 PolarHBondContact O-N 3.16Å; E9-Q11 VanDerWaalsContact C-N 3.31Å; E9-Q11 PolarHBondContact O-N 3.12Å; E9-E12 PolarHBondContact O-N 3.02Å; E9-L13 WeakPolarHBondContact O-CB 3.28Å; E9-L13 WeakPolarHBondContact O-CD1 3.4Å; E9-L13 PolarHBondContact O-N 3.22Å |
| 10 | M | 84.9 | Confident | 80.9 | Confident | 134 Ų | 134 | 109.3 Ų | 109.3 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -34.9 | 177 | -75.9 | -73.4 | -69.5 | 0 | 0 | 112.2 | G6 V7 E8 A14 | G6-M10 WeakPolarHBondContact O-CB 3.28Å; G6-M10 WeakPolarHBondContact O-CG 3.38Å; G6-M10 PolarHBondContact O-N 3.43Å; V7-M10 PolarHBondContact O-N 3.45Å; E8-M10 PolarHBondContact O-N 3.29Å; M10-A14 PolarHBondContact O-N 3.36Å; M10-A14 VanDerWaalsContact O-N 3.09Å |
| 11 | Q | 86.1 | Confident | 81.1 | Confident | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.5 | -44.2 | 175.6 | -171.8 | 176.9 | -28.9 | 0 | 0 | 111.3 | V7 E8 E9 L13 A14 E15 | V7-Q11 PolarHBondContact O-N 3.45Å; V7-Q11 VanDerWaalsContact O-N 3.08Å; E8-Q11 PolarHBondContact O-N 2.85Å; E9-Q11 VanDerWaalsContact C-N 3.31Å; E9-Q11 PolarHBondContact O-N 3.12Å; Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 PolarHBondContact O-N 3.33Å; Q11-A14 PolarHBondContact O-N 3.09Å; Q11-A14 VanDerWaalsContact O-N 3.14Å; Q11-E15 PolarHBondContact NE2-OE1 2.84Å; Q11-E15 WeakPolarHBondContact O-CG 3.23Å; Q11-E15 PolarHBondContact O-N 2.92Å |
| 12 | E | 89.8 | Confident | 82.9 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -39 | 176.5 | -165.6 | -172.2 | 155.1 | 0 | 0 | 111.9 | E8 E9 E15 K16 | E8-E12 PolarHBondContact O-N 2.95Å; E9-E12 PolarHBondContact O-N 3.02Å; E12-E15 PolarHBondContact O-N 3.26Å; E12-K16 WeakPolarHBondContact O-CG 3.41Å; E12-K16 PolarHBondContact O-N 3.03Å; E12-K16 WeakPolarHBondContact OE1-CE 3.38Å; E12-K16 IonicContact OE1-NZ 3.92Å; E12-K16 PolarHBondContact OE1-NZ 2.72Å |
| 13 | L | 90.8 | Very high | 84.3 | Confident | 90 Ų | 90 | 95 Ų | 95 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 172.4 | -86.8 | 153.3 | 0 | 0 | 0 | 111.7 | E9 Q11 E15 K16 F17 | E9-L13 WeakPolarHBondContact O-CB 3.28Å; E9-L13 WeakPolarHBondContact O-CD1 3.4Å; E9-L13 PolarHBondContact O-N 3.22Å; Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 PolarHBondContact O-N 3.33Å; L13-E15 PolarHBondContact O-N 3.35Å; L13-K16 PolarHBondContact O-N 3.31Å; L13-F17 HydrophobicContact CD2-CE2 4.25Å; L13-F17 WeakPolarHBondContact O-CD2 3.44Å; L13-F17 PolarHBondContact O-N 3.45Å |
| 14 | A | 89.8 | Confident | 85.4 | Confident | 52 Ų | 52 | 95.2 Ų | 95.2 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M10 Q11 F17 T18 | M10-A14 PolarHBondContact O-N 3.36Å; M10-A14 VanDerWaalsContact O-N 3.09Å; Q11-A14 PolarHBondContact O-N 3.09Å; Q11-A14 VanDerWaalsContact O-N 3.14Å; A14-F17 PolarHBondContact O-N 3.2Å; A14-T18 PolarHBondContact O-N 2.97Å; A14-T18 PolarHBondContact O-OG1 3.44Å |
| 15 | E | 92.2 | Very high | 86 | Confident | 107 Ų | 107 | 94.9 Ų | 94.9 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.1 | -72.4 | 173.1 | -170.8 | 0 | 0 | 110.7 | Q11 E12 L13 F17 T18 E19 | Q11-E15 PolarHBondContact NE2-OE1 2.84Å; Q11-E15 WeakPolarHBondContact O-CG 3.23Å; Q11-E15 PolarHBondContact O-N 2.92Å; E12-E15 PolarHBondContact O-N 3.26Å; L13-E15 PolarHBondContact O-N 3.35Å; E15-F17 PolarHBondContact O-N 3.43Å; E15-T18 WeakPolarHBondContact O-CB 3.47Å; E15-T18 PolarHBondContact O-N 3.04Å; E15-T18 VanDerWaalsContact O-N 3.09Å; E15-E19 PolarHBondContact O-N 3.46Å |
| 16 | K | 92.1 | Very high | 86.1 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 45% | 0.452 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 175 | -75.6 | 175.7 | -174.7 | 161.6 | 0 | 113.1 | E12 L13 T18 E19 I20 | E12-K16 WeakPolarHBondContact O-CG 3.41Å; E12-K16 PolarHBondContact O-N 3.03Å; E12-K16 WeakPolarHBondContact OE1-CE 3.38Å; E12-K16 IonicContact OE1-NZ 3.92Å; E12-K16 PolarHBondContact OE1-NZ 2.72Å; L13-K16 PolarHBondContact O-N 3.31Å; K16-T18 VanDerWaalsContact C-N 3.28Å; K16-T18 PolarHBondContact O-N 3.26Å; K16-E19 PolarHBondContact O-N 3.08Å; K16-I20 VanDerWaalsContact O-CG1 3.28Å; K16-I20 WeakPolarHBondContact O-CG1 3.42Å; K16-I20 PolarHBondContact O-N 3.46Å |
| 17 | F | 91.9 | Very high | 85.8 | Confident | 141 Ų | 141 | 97 Ų | 97 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -37.7 | 174.9 | -87.2 | -68.2 | 0 | 0 | 0 | 112.2 | L13 A14 E15 S21 | L13-F17 HydrophobicContact CD2-CE2 4.25Å; L13-F17 WeakPolarHBondContact O-CD2 3.44Å; L13-F17 PolarHBondContact O-N 3.45Å; A14-F17 PolarHBondContact O-N 3.2Å; E15-F17 PolarHBondContact O-N 3.43Å; F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 3.38Å |
| 18 | T | 91 | Very high | 85.1 | Confident | 83 Ų | 83 | 98.1 Ų | 98.1 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | A14 E15 K16 S21 I22 | A14-T18 PolarHBondContact O-N 2.97Å; A14-T18 PolarHBondContact O-OG1 3.44Å; E15-T18 WeakPolarHBondContact O-CB 3.47Å; E15-T18 PolarHBondContact O-N 3.04Å; E15-T18 VanDerWaalsContact O-N 3.09Å; K16-T18 VanDerWaalsContact C-N 3.28Å; K16-T18 PolarHBondContact O-N 3.26Å; T18-S21 PolarHBondContact O-N 2.98Å; T18-I22 HydrophobicContact CG2-CD1 4.08Å; T18-I22 WeakPolarHBondContact O-CG1 3.28Å; T18-I22 PolarHBondContact O-N 3.48Å |
| 19 | E | 90.4 | Very high | 84.1 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | 175 | -72.4 | -175.8 | 166.3 | 0 | 0 | 112.2 | E15 K16 S21 I22 A23 | E15-E19 PolarHBondContact O-N 3.46Å; K16-E19 PolarHBondContact O-N 3.08Å; E19-S21 VanDerWaalsContact C-N 3.33Å; E19-S21 PolarHBondContact O-N 3.14Å; E19-I22 PolarHBondContact O-N 3.05Å; E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 2.98Å |
| 20 | I | 90.2 | Very high | 82.8 | Confident | 104 Ų | 104 | 95.5 Ų | 95.5 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.8 | -67.8 | 166.4 | 0 | 0 | 0 | 110.5 | K16 I22 A23 V24 | K16-I20 VanDerWaalsContact O-CG1 3.28Å; K16-I20 WeakPolarHBondContact O-CG1 3.42Å; K16-I20 PolarHBondContact O-N 3.46Å; I20-I22 VanDerWaalsContact C-N 3.34Å; I20-I22 PolarHBondContact O-N 3.41Å; I20-A23 PolarHBondContact O-N 3.41Å; I20-V24 HydrophobicContact CG2-CG2 4.2Å; I20-V24 WeakPolarHBondContact O-CB 3.48Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.49Å; I20-V24 PolarHBondContact O-N 3.48Å |
| 21 | S | 86.6 | Confident | 81.5 | Confident | 54 Ų | 54 | 94.5 Ų | 94.5 | 38% | 0.378 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | F17 T18 E19 K25 | F17-S21 WeakPolarHBondContact O-CB 3.37Å; F17-S21 PolarHBondContact O-N 3.38Å; T18-S21 PolarHBondContact O-N 2.98Å; E19-S21 VanDerWaalsContact C-N 3.33Å; E19-S21 PolarHBondContact O-N 3.14Å; S21-K25 WeakPolarHBondContact O-CB 3.48Å; S21-K25 VanDerWaalsContact O-CG 3.29Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-N 3.45Å; S21-K25 VanDerWaalsContact O-N 3.08Å |
| 22 | I | 87.3 | Confident | 79.9 | Confident | 99 Ų | 99 | 94.2 Ų | 94.2 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 174.7 | -67.8 | 166.4 | 0 | 0 | 0 | 109.8 | T18 E19 I20 V24 K25 S26 | T18-I22 HydrophobicContact CG2-CD1 4.08Å; T18-I22 WeakPolarHBondContact O-CG1 3.28Å; T18-I22 PolarHBondContact O-N 3.48Å; E19-I22 PolarHBondContact O-N 3.05Å; I20-I22 VanDerWaalsContact C-N 3.34Å; I20-I22 PolarHBondContact O-N 3.41Å; I22-V24 PolarHBondContact O-N 3.47Å; I22-K25 PolarHBondContact O-N 3.42Å; I22-S26 WeakPolarHBondContact O-CB 3.41Å; I22-S26 PolarHBondContact O-N 2.95Å; I22-S26 PolarHBondContact O-OG 3.16Å |
| 23 | A | 84.7 | Confident | 78.1 | Confident | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E19 I20 K25 S26 T27 | E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 2.98Å; I20-A23 PolarHBondContact O-N 3.41Å; A23-K25 PolarHBondContact O-N 3.37Å; A23-S26 CarbonylContact O-C 3.59Å; A23-S26 WeakPolarHBondContact O-CB 3.32Å; A23-S26 PolarHBondContact O-N 3.09Å; A23-T27 PolarHBondContact O-N 2.94Å; A23-T27 PolarHBondContact O-OG1 3.01Å |
| 24 | V | 83.1 | Confident | 76.4 | Confident | 72 Ų | 72 | 96.7 Ų | 96.7 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | I20 I22 S26 T27 E28 | I20-V24 HydrophobicContact CG2-CG2 4.2Å; I20-V24 WeakPolarHBondContact O-CB 3.48Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.49Å; I20-V24 PolarHBondContact O-N 3.48Å; I22-V24 PolarHBondContact O-N 3.47Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.28Å; V24-T27 PolarHBondContact O-N 2.93Å; V24-E28 WeakPolarHBondContact O-CB 3.39Å; V24-E28 WeakPolarHBondContact O-CG 3.29Å; V24-E28 PolarHBondContact O-N 3.45Å |
| 25 | K | 80.3 | Confident | 75 | Confident | 127 Ų | 127 | 95 Ų | 95 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 174.6 | -75.1 | 170.6 | -178.2 | 168.2 | 0 | 111.8 | S21 I22 A23 E28 V29 | S21-K25 WeakPolarHBondContact O-CB 3.48Å; S21-K25 VanDerWaalsContact O-CG 3.29Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-N 3.45Å; S21-K25 VanDerWaalsContact O-N 3.08Å; I22-K25 PolarHBondContact O-N 3.42Å; A23-K25 PolarHBondContact O-N 3.37Å; K25-E28 PolarHBondContact O-N 2.85Å; K25-V29 WeakPolarHBondContact O-CB 3.49Å; K25-V29 VanDerWaalsContact O-CG2 3.22Å; K25-V29 WeakPolarHBondContact O-CG2 3.24Å; K25-V29 PolarHBondContact O-N 3.23Å |
| 26 | S | 74.3 | Confident | 74 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | I22 A23 V24 V29 L30 | I22-S26 WeakPolarHBondContact O-CB 3.41Å; I22-S26 PolarHBondContact O-N 2.95Å; I22-S26 PolarHBondContact O-OG 3.16Å; A23-S26 CarbonylContact O-C 3.59Å; A23-S26 WeakPolarHBondContact O-CB 3.32Å; A23-S26 PolarHBondContact O-N 3.09Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.28Å; S26-V29 PolarHBondContact O-N 2.84Å; S26-L30 WeakPolarHBondContact O-CB 3.48Å; S26-L30 VanDerWaalsContact O-CG 3.27Å; S26-L30 WeakPolarHBondContact O-CG 3.26Å; S26-L30 PolarHBondContact O-N 3.27Å |
| 27 | T | 70.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | A23 V24 V29 L30 I31 | A23-T27 PolarHBondContact O-N 2.94Å; A23-T27 PolarHBondContact O-OG1 3.01Å; V24-T27 PolarHBondContact O-N 2.93Å; T27-V29 VanDerWaalsContact C-N 3.33Å; T27-V29 PolarHBondContact O-N 3.26Å; T27-L30 PolarHBondContact O-N 2.84Å; T27-I31 HydrophobicContact CG2-CD1 3.81Å; T27-I31 HydrophobicContact CG2-CG1 4.3Å; T27-I31 WeakPolarHBondContact O-CB 3.43Å; T27-I31 VanDerWaalsContact O-CG1 3.26Å; T27-I31 WeakPolarHBondContact O-CG1 3.27Å; T27-I31 PolarHBondContact O-N 3.48Å |
| 28 | E | 64.8 | Low | 73 | Confident | 113 Ų | 113 | 93.5 Ų | 93.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.3 | -77.2 | -179.7 | 174.6 | 0 | 0 | 111.6 | V24 K25 L30 N32 | V24-E28 WeakPolarHBondContact O-CB 3.39Å; V24-E28 WeakPolarHBondContact O-CG 3.29Å; V24-E28 PolarHBondContact O-N 3.45Å; K25-E28 PolarHBondContact O-N 2.85Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-N32 VanDerWaalsContact O-CB 3.25Å; E28-N32 WeakPolarHBondContact O-CB 3.42Å; E28-N32 PolarHBondContact O-N 3.17Å; E28-N32 PolarHBondContact O-ND2 3.39Å |
| 29 | V | 61.2 | Low | 73.2 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 171.9 | 171 | 0 | 0 | 0 | 0 | 109.8 | K25 S26 T27 N32 T33 | K25-V29 WeakPolarHBondContact O-CB 3.49Å; K25-V29 VanDerWaalsContact O-CG2 3.22Å; K25-V29 WeakPolarHBondContact O-CG2 3.24Å; K25-V29 PolarHBondContact O-N 3.23Å; S26-V29 PolarHBondContact O-N 2.84Å; T27-V29 VanDerWaalsContact C-N 3.33Å; T27-V29 PolarHBondContact O-N 3.26Å; V29-N32 CarbonylContact O-C 3.48Å; V29-N32 PolarHBondContact O-N 2.81Å; V29-T33 HydrophobicContact CG1-CG2 4.07Å; V29-T33 WeakPolarHBondContact O-CB 3.18Å; V29-T33 VanDerWaalsContact O-CG2 3.24Å; V29-T33 WeakPolarHBondContact O-CG2 3.46Å; V29-T33 PolarHBondContact O-N 3.47Å; V29-T33 PolarHBondContact O-OG1 2.83Å; V29-T33 VanDerWaalsContact O-OG1 3.1Å |
| 30 | L | 58.2 | Low | 73.4 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 179.1 | -76.5 | 166.2 | 0 | 0 | 0 | 112.8 | S26 T27 E28 N32 T33 E34 | S26-L30 WeakPolarHBondContact O-CB 3.48Å; S26-L30 VanDerWaalsContact O-CG 3.27Å; S26-L30 WeakPolarHBondContact O-CG 3.26Å; S26-L30 PolarHBondContact O-N 3.27Å; T27-L30 PolarHBondContact O-N 2.84Å; E28-L30 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.18Å; L30-T33 WeakPolarHBondContact CA-OG1 2.92Å; L30-T33 CarbonylContact O-C 3.54Å; L30-T33 PolarHBondContact O-N 3.49Å; L30-T33 PolarHBondContact O-OG1 2.82Å; L30-E34 PolarHBondContact O-N 2.82Å |
| 31 | I | 57.4 | Low | 73.6 | Confident | 114 Ų | 114 | 84.4 Ų | 84.4 | 59% | 0.585 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.4 | -33.8 | 176.3 | -66.7 | 165.5 | 0 | 0 | 0 | 111 | T27 | T27-I31 HydrophobicContact CG2-CD1 3.81Å; T27-I31 HydrophobicContact CG2-CG1 4.3Å; T27-I31 WeakPolarHBondContact O-CB 3.43Å; T27-I31 VanDerWaalsContact O-CG1 3.26Å; T27-I31 WeakPolarHBondContact O-CG1 3.27Å; T27-I31 PolarHBondContact O-N 3.48Å |
| 32 | N | 52.8 | Low | 73.9 | Confident | 109 Ų | 109 | 83.2 Ų | 83.2 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -80 | -21.5 | 175.2 | -71.2 | -38.9 | 0 | 0 | 0 | 113.2 | E28 V29 L30 | E28-N32 VanDerWaalsContact O-CB 3.25Å; E28-N32 WeakPolarHBondContact O-CB 3.42Å; E28-N32 PolarHBondContact O-N 3.17Å; E28-N32 PolarHBondContact O-ND2 3.39Å; V29-N32 CarbonylContact O-C 3.48Å; V29-N32 PolarHBondContact O-N 2.81Å; L30-N32 PolarHBondContact O-N 3.18Å |
| 33 | T | 50.6 | Low | 74.3 | Confident | 92 Ų | 92 | 84.8 Ų | 84.8 | 56% | 0.564 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -88.8 | -28 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | V29 L30 G35 | V29-T33 HydrophobicContact CG1-CG2 4.07Å; V29-T33 WeakPolarHBondContact O-CB 3.18Å; V29-T33 VanDerWaalsContact O-CG2 3.24Å; V29-T33 WeakPolarHBondContact O-CG2 3.46Å; V29-T33 PolarHBondContact O-N 3.47Å; V29-T33 PolarHBondContact O-OG1 2.83Å; V29-T33 VanDerWaalsContact O-OG1 3.1Å; L30-T33 WeakPolarHBondContact CA-OG1 2.92Å; L30-T33 CarbonylContact O-C 3.54Å; L30-T33 PolarHBondContact O-N 3.49Å; L30-T33 PolarHBondContact O-OG1 2.82Å; T33-G35 PolarHBondContact O-N 3.31Å; T33-G35 VanDerWaalsContact O-N 3.07Å |
| 34 | E | 55.5 | Low | 74.6 | Confident | 150 Ų | 150 | 86.4 Ų | 86.4 | 70% | 0.701 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -68.4 | 106.6 | 167.3 | -72.7 | -168.3 | 170.4 | 0 | 0 | 107.5 | L30 K36 | L30-E34 PolarHBondContact O-N 2.82Å; E34-K36 PolarHBondContact O-N 3.1Å |
| 35 | G | 60.4 | Low | 75 | Confident | 17 Ų | 17 | 86.5 Ų | 86.5 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | trans | -53 | 141.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | T33 Y51 | T33-G35 PolarHBondContact O-N 3.31Å; T33-G35 VanDerWaalsContact O-N 3.07Å; G35-Y51 CarbonylContact C-O 3.49Å; G35-Y51 WeakPolarHBondContact CA-O 3.39Å | ||
| 36 | K | 71.6 | Confident | 75.7 | Confident | 110 Ų | 110 | 83.3 Ų | 83.3 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -58.5 | 144.5 | 171.7 | -73.5 | -173.1 | 174 | -173.8 | 0 | 109.4 | E34 Y51 S53 | E34-K36 PolarHBondContact O-N 3.1Å; K36-Y51 HydrophobicContact CB-CD2 4.24Å; K36-Y51 HydrophobicContact CB-CE1 4.01Å; K36-Y51 HydrophobicContact CB-CE2 3.61Å; K36-Y51 VanDerWaalsContact CB-CZ 3.47Å; K36-Y51 HydrophobicContact CD-CE2 4.17Å; K36-Y51 HydrophobicContact CG-CE2 4.44Å; K36-Y51 PolarHBondContact N-O 3.12Å; K36-Y51 WeakPolarHBondContact O-CD1 3.1Å; K36-Y51 WeakPolarHBondContact O-CE1 3.37Å; K36-S53 WeakPolarHBondContact CE-OG 3.4Å; K36-S53 VanDerWaalsContact NZ-CB 3.29Å; K36-S53 PolarHBondContact NZ-OG 2.79Å |
| 37 | H | 74.8 | Confident | 76.7 | Confident | 187 Ų | 187 | 82.2 Ų | 82.2 | 87% | 0.866 | 44% | 0.439 | S | S | * | . | trans | -104.8 | 119.1 | 167.6 | -62.3 | -72.8 | 0 | 0 | 0 | 108.5 | ||||
| 38 | G | 88.4 | Confident | 77.8 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 25% | 0.247 | 43% | 0.427 | C | S | . | . | trans | -153.1 | 164.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S46 F47 Y51 | G38-S46 VanDerWaalsContact O-CA 3.3Å; G38-S46 WeakPolarHBondContact O-CA 3.48Å; G38-F47 VanDerWaalsContact O-CD2 3.29Å; G38-F47 WeakPolarHBondContact O-CD2 3.22Å; G38-F47 PolarHBondContact O-N 3.04Å; G38-Y51 WeakPolarHBondContact CA-OH 3.3Å; G38-Y51 PolarHBondContact N-OH 2.96Å | ||
| 39 | L | 93.8 | Very high | 79.3 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -82.9 | 146.2 | 176.7 | -61.7 | 176.4 | 0 | 0 | 0 | 111 | Y43 D45 F47 | L39-Y43 HydrophobicContact CD1-CD1 4.38Å; L39-D45 CarbonylContact C-O 3.55Å; L39-D45 VanDerWaalsContact CA-O 3.29Å; L39-D45 WeakPolarHBondContact CA-O 3.48Å; L39-D45 WeakPolarHBondContact CD2-O 3.49Å; L39-F47 WeakPolarHBondContact O-CE2 3.47Å |
| 40 | I | 95.1 | Very high | 80.9 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | trans | -69.2 | 168.6 | 169.7 | 68.3 | -179.1 | 0 | 0 | 0 | 110.5 | D42 Y43 D45 F47 P167 E168 | I40-D42 VanDerWaalsContact C-N 3.28Å; I40-D42 WeakPolarHBondContact CG1-OD1 3.49Å; I40-D42 PolarHBondContact O-N 3.01Å; I40-D42 VanDerWaalsContact O-N 3.14Å; I40-Y43 WeakPolarHBondContact O-CA 3.4Å; I40-Y43 PolarHBondContact O-N 3.18Å; I40-D45 HydrophobicContact CD1-CB 4.24Å; I40-D45 WeakPolarHBondContact CG1-O 3.3Å; I40-D45 PolarHBondContact N-O 3.04Å; I40-F47 HydrophobicContact CG2-CB 4.45Å; I40-F47 HydrophobicContact CG2-CD1 3.8Å; I40-F47 HydrophobicContact CG2-CD2 4.35Å; I40-F47 HydrophobicContact CG2-CE1 4.12Å; I40-F47 HydrophobicContact CG2-CG 3.94Å; I40-P167 HydrophobicContact CD1-CB 3.91Å; I40-P167 HydrophobicContact CD1-CG 4.16Å; I40-P167 HydrophobicContact CG1-CB 4.26Å; I40-E168 HydrophobicContact CB-CB 4.35Å; I40-E168 HydrophobicContact CD1-CB 4.44Å; I40-E168 HydrophobicContact CG2-CB 3.95Å; I40-E168 HydrophobicContact CG2-CG 3.85Å | ||
| 41 | A | 94.6 | Very high | 82.7 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.6 | -161 | 0 | 0 | 0 | 0 | 0 | 115.5 | R154 L164 P167 | A41-R154 PolarHBondContact O-NH2 2.79Å; A41-L164 HydrophobicContact CB-CD1 3.48Å; A41-L164 VanDerWaalsContact CB-CD1 3.48Å; A41-P167 WeakPolarHBondContact CB-O 3.32Å; A41-P167 PolarHBondContact N-O 3.49Å |
| 42 | D | 94 | Very high | 84.5 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.2 | 172.2 | 70.6 | -4.4 | 0 | 0 | 0 | 113.4 | I40 S44 P162 L164 P167 | I40-D42 VanDerWaalsContact C-N 3.28Å; I40-D42 WeakPolarHBondContact CG1-OD1 3.49Å; I40-D42 PolarHBondContact O-N 3.01Å; I40-D42 VanDerWaalsContact O-N 3.14Å; D42-S44 VanDerWaalsContact CG-OG 3.26Å; D42-S44 PolarHBondContact O-N 3.47Å; D42-S44 VanDerWaalsContact OD1-CB 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.48Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-S44 PolarHBondContact OD2-OG 3.16Å; D42-P162 WeakPolarHBondContact CA-O 3.39Å; D42-P162 VanDerWaalsContact CB-O 3.24Å; D42-P162 WeakPolarHBondContact CB-O 3.39Å; D42-P162 WeakPolarHBondContact O-CG 3.33Å; D42-L164 HydrophobicContact CB-CB 4.45Å; D42-L164 HydrophobicContact CB-CD1 4.41Å; D42-L164 HydrophobicContact CB-CG 4.47Å; D42-P167 HydrophobicContact CB-CB 4.03Å; D42-P167 VanDerWaalsContact CG-CB 3.45Å; D42-P167 WeakPolarHBondContact OD2-CB 3.13Å |
| 43 | Y | 93.7 | Very high | 86.3 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 64.3 | 14.1 | -178.9 | -42.1 | -77.9 | 0 | 0 | 0 | 115.2 | L39 I40 Y161 P162 | L39-Y43 HydrophobicContact CD1-CD1 4.38Å; I40-Y43 WeakPolarHBondContact O-CA 3.4Å; I40-Y43 PolarHBondContact O-N 3.18Å; Y43-Y161 PolarHBondContact OH-OH 3.07Å; Y43-P162 HydrophobicContact CD2-CB 3.84Å; Y43-P162 HydrophobicContact CD2-CG 4.21Å; Y43-P162 HydrophobicContact CE2-CB 3.99Å |
| 44 | S | 91.7 | Very high | 88.2 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -77.2 | -28.1 | -176.8 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | D42 | D42-S44 VanDerWaalsContact CG-OG 3.26Å; D42-S44 PolarHBondContact O-N 3.47Å; D42-S44 VanDerWaalsContact OD1-CB 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.48Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-S44 PolarHBondContact OD2-OG 3.16Å |
| 45 | D | 92 | Very high | 89.9 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -156 | 172.9 | -176.1 | -151 | -29.4 | 0 | 0 | 0 | 111.3 | L39 I40 R128 | L39-D45 CarbonylContact C-O 3.55Å; L39-D45 VanDerWaalsContact CA-O 3.29Å; L39-D45 WeakPolarHBondContact CA-O 3.48Å; L39-D45 WeakPolarHBondContact CD2-O 3.49Å; I40-D45 HydrophobicContact CD1-CB 4.24Å; I40-D45 WeakPolarHBondContact CG1-O 3.3Å; I40-D45 PolarHBondContact N-O 3.04Å; D45-R128 IonicContact OD1-NH2 2.73Å; D45-R128 PolarHBondContact OD1-NH2 2.68Å; D45-R128 IonicContact OD2-CZ 2.69Å; D45-R128 IonicContact OD2-NH2 3.5Å; D45-R128 PolarHBondContact OD2-NH2 3.39Å |
| 46 | S | 94.1 | Very high | 91.5 | Very high | 59 Ų | 59 | 66.6 Ų | 66.6 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -77.5 | 155.1 | 166.5 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | G38 R128 | G38-S46 VanDerWaalsContact O-CA 3.3Å; G38-S46 WeakPolarHBondContact O-CA 3.48Å; S46-R128 PolarHBondContact O-NH1 3.07Å; S46-R128 PolarHBondContact O-NH2 3.38Å |
| 47 | F | 95.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | trans | -57.7 | 135.3 | 172.2 | -77.4 | -81.9 | 0 | 0 | 0 | 111.8 | G38 L39 I40 Y51 P61 E168 Y170 | G38-F47 VanDerWaalsContact O-CD2 3.29Å; G38-F47 WeakPolarHBondContact O-CD2 3.22Å; G38-F47 PolarHBondContact O-N 3.04Å; L39-F47 WeakPolarHBondContact O-CE2 3.47Å; I40-F47 HydrophobicContact CG2-CB 4.45Å; I40-F47 HydrophobicContact CG2-CD1 3.8Å; I40-F47 HydrophobicContact CG2-CD2 4.35Å; I40-F47 HydrophobicContact CG2-CE1 4.12Å; I40-F47 HydrophobicContact CG2-CG 3.94Å; F47-Y51 HydrophobicContact CB-CD1 3.75Å; F47-Y51 HydrophobicContact CB-CE1 3.69Å; F47-Y51 HydrophobicContact CD2-CD1 4.04Å; F47-Y51 AromaticContact CD2-CE1 3.34Å; F47-Y51 HydrophobicContact CD2-CE1 3.34Å; F47-Y51 AromaticContact CD2-CZ 3.64Å; F47-Y51 HydrophobicContact CE2-CE1 4.11Å; F47-Y51 AromaticContact CE2-CZ 3.95Å; F47-Y51 AromaticContact CG-CD1 3.87Å; F47-Y51 HydrophobicContact CG-CD1 3.87Å; F47-Y51 AromaticContact CG-CE1 3.64Å; F47-Y51 HydrophobicContact CG-CE1 3.64Å; F47-P61 HydrophobicContact CE1-CB 4.04Å; F47-P61 HydrophobicContact CE1-CG 3.8Å; F47-P61 HydrophobicContact CZ-CB 4.08Å; F47-P61 HydrophobicContact CZ-CG 3.87Å; F47-E168 HydrophobicContact CD1-CG 4.01Å; F47-E168 HydrophobicContact CE1-CG 4.38Å; F47-Y170 HydrophobicContact CB-CE1 4.44Å; F47-Y170 WeakPolarHBondContact CB-OH 3.44Å; F47-Y170 HydrophobicContact CD1-CD1 4.47Å; F47-Y170 AromaticContact CD1-CE1 3.52Å; F47-Y170 HydrophobicContact CD1-CE1 3.52Å; F47-Y170 HydrophobicContact CD1-CE2 4.47Å; F47-Y170 AromaticContact CD1-CZ 3.53Å; F47-Y170 WeakPolarHBondContact CD1-OH 3.32Å; F47-Y170 HydrophobicContact CE1-CE1 4.11Å; F47-Y170 HydrophobicContact CG-CE1 4.27Å | ||
| 48 | A | 94.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -80.1 | -30.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I80 R128 E168 Y170 | A48-I80 HydrophobicContact CB-CD1 4.1Å; A48-I80 HydrophobicContact CB-CG1 4.01Å; A48-R128 VanDerWaalsContact CB-CD 3.43Å; A48-E168 WeakPolarHBondContact CB-OE1 3.5Å; A48-E168 PolarHBondContact N-OE1 3.33Å; A48-Y170 PolarHBondContact N-OH 2.96Å |
| 49 | L | 95.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -97.5 | 142.9 | -179.2 | -61.8 | -177.9 | 0 | 0 | 0 | 110.5 | Y51 I63 V67 L71 F76 I80 I130 Y170 | L49-Y51 PolarHBondContact O-N 2.78Å; L49-Y51 VanDerWaalsContact O-N 3.16Å; L49-I63 HydrophobicContact CB-CG2 4.19Å; L49-I63 HydrophobicContact CD1-CD1 4.4Å; L49-I63 HydrophobicContact CD1-CG2 4.2Å; L49-V67 HydrophobicContact CB-CG1 4.06Å; L49-V67 HydrophobicContact CD1-CG1 4.16Å; L49-V67 HydrophobicContact CD2-CG1 4.24Å; L49-V67 HydrophobicContact CG-CG1 4.4Å; L49-L71 HydrophobicContact CD1-CD2 4.25Å; L49-L71 HydrophobicContact CD2-CD1 4.49Å; L49-F76 HydrophobicContact CD2-CB 4.3Å; L49-F76 HydrophobicContact CD2-CD1 3.59Å; L49-F76 HydrophobicContact CD2-CD2 3.65Å; L49-F76 HydrophobicContact CD2-CE1 3.7Å; L49-F76 HydrophobicContact CD2-CE2 3.74Å; L49-F76 HydrophobicContact CD2-CG 3.57Å; L49-F76 HydrophobicContact CD2-CZ 3.77Å; L49-I80 HydrophobicContact CD1-CD1 4.39Å; L49-I80 HydrophobicContact CD2-CD1 3.4Å; L49-I80 VanDerWaalsContact CD2-CD1 3.4Å; L49-I80 HydrophobicContact CG-CD1 3.8Å; L49-I130 HydrophobicContact CD1-CD1 3.48Å; L49-I130 VanDerWaalsContact CD1-CD1 3.48Å; L49-I130 HydrophobicContact CG-CD1 4.16Å; L49-Y170 HydrophobicContact CB-CE1 4.13Å; L49-Y170 HydrophobicContact CB-CE2 4.21Å; L49-Y170 HydrophobicContact CD1-CD2 4.15Å; L49-Y170 HydrophobicContact CD1-CE2 3.9Å; L49-Y170 HydrophobicContact CG-CE2 4.12Å; L49-Y170 PolarHBondContact N-OH 2.85Å |
| 50 | P | 95.5 | Very high | 93.7 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | trans | -55.7 | 120.9 | 164.6 | -22.1 | 33.1 | 0 | 0 | 0 | 109.8 | V67 | P50-V67 HydrophobicContact CB-CG2 4.3Š| ||
| 51 | Y | 95.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 55.8 Ų | 55.8 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -132.9 | 160.2 | -178.8 | 79.8 | -84.3 | 0 | 0 | 0 | 111.3 | G35 K36 G38 F47 L49 P61 Q62 Y170 | G35-Y51 CarbonylContact C-O 3.49Å; G35-Y51 WeakPolarHBondContact CA-O 3.39Å; K36-Y51 HydrophobicContact CB-CD2 4.24Å; K36-Y51 HydrophobicContact CB-CE1 4.01Å; K36-Y51 HydrophobicContact CB-CE2 3.61Å; K36-Y51 VanDerWaalsContact CB-CZ 3.47Å; K36-Y51 HydrophobicContact CD-CE2 4.17Å; K36-Y51 HydrophobicContact CG-CE2 4.44Å; K36-Y51 PolarHBondContact N-O 3.12Å; K36-Y51 WeakPolarHBondContact O-CD1 3.1Å; K36-Y51 WeakPolarHBondContact O-CE1 3.37Å; G38-Y51 WeakPolarHBondContact CA-OH 3.3Å; G38-Y51 PolarHBondContact N-OH 2.96Å; F47-Y51 HydrophobicContact CB-CD1 3.75Å; F47-Y51 HydrophobicContact CB-CE1 3.69Å; F47-Y51 HydrophobicContact CD2-CD1 4.04Å; F47-Y51 AromaticContact CD2-CE1 3.34Å; F47-Y51 HydrophobicContact CD2-CE1 3.34Å; F47-Y51 AromaticContact CD2-CZ 3.64Å; F47-Y51 HydrophobicContact CE2-CE1 4.11Å; F47-Y51 AromaticContact CE2-CZ 3.95Å; F47-Y51 AromaticContact CG-CD1 3.87Å; F47-Y51 HydrophobicContact CG-CD1 3.87Å; F47-Y51 AromaticContact CG-CE1 3.64Å; F47-Y51 HydrophobicContact CG-CE1 3.64Å; L49-Y51 PolarHBondContact O-N 2.78Å; L49-Y51 VanDerWaalsContact O-N 3.16Å; Y51-P61 HydrophobicContact CD2-CB 3.39Å; Y51-P61 HydrophobicContact CE2-CB 3.84Å; Y51-P61 HydrophobicContact CG-CB 3.93Å; Y51-Q62 CarbonylContact C-O 3.37Å; Y51-Q62 WeakPolarHBondContact CA-O 3.36Å; Y51-Q62 WeakPolarHBondContact CB-O 3.19Å; Y51-Y170 HydrophobicContact CD1-CE1 4.48Å; Y51-Y170 HydrophobicContact CG-CE1 4.32Å |
| 52 | F | 95.3 | Very high | 94 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 25% | 0.25 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 175.6 | 174.9 | 65.4 | -84.4 | 0 | 0 | 0 | 110.7 | Q62 S173 | F52-Q62 HydrophobicContact CD1-CB 4.45Å; F52-Q62 VanDerWaalsContact CD1-O 3.31Å; F52-Q62 WeakPolarHBondContact CD1-O 3.48Å; F52-Q62 HydrophobicContact CD2-CB 4.41Å; F52-Q62 HydrophobicContact CE1-CB 4.23Å; F52-Q62 HydrophobicContact CE2-CB 4.18Å; F52-Q62 HydrophobicContact CZ-CB 4.11Å; F52-Q62 PolarHBondContact N-O 3.06Å; F52-Q62 WeakPolarHBondContact O-CB 3.34Å; F52-Q62 PolarHBondContact O-N 2.51Å; F52-S173 WeakPolarHBondContact CZ-OG 3.11Å |
| 53 | S | 90.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.1 | 170.1 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | K36 | K36-S53 WeakPolarHBondContact CE-OG 3.4Å; K36-S53 VanDerWaalsContact NZ-CB 3.29Å; K36-S53 PolarHBondContact NZ-OG 2.79Å |
| 54 | S | 90.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 152.4 | 172.8 | 83.6 | 0 | 0 | 0 | 0 | 110.9 | R56 V57 P58 Q62 | S54-R56 PolarHBondContact O-N 3.46Å; S54-R56 VanDerWaalsContact O-N 3.15Å; S54-R56 PolarHBondContact OG-N 3.17Å; S54-V57 CarbonylContact O-C 3.57Å; S54-V57 PolarHBondContact O-N 3.36Å; S54-V57 PolarHBondContact OG-N 3.18Å; S54-P58 WeakPolarHBondContact O-CA 3.43Å; S54-P58 VanDerWaalsContact O-N 3.14Å; S54-Q62 VanDerWaalsContact CB-NE2 3.28Å; S54-Q62 PolarHBondContact OG-NE2 3.16Å |
| 55 | P | 91.8 | Very high | 94.6 | Very high | 130 Ų | 130 | 45 Ų | 45 | 84% | 0.844 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28 | 173.5 | -25.9 | 34.8 | 0 | 0 | 0 | 114.6 | ||
| 56 | R | 93 | Very high | 94.9 | Very high | 185 Ų | 185 | 45 Ų | 45 | 70% | 0.698 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -29.9 | -178.5 | -68.4 | -172 | -70 | -108.6 | 0.8 | 113.5 | S54 L139 | S54-R56 PolarHBondContact O-N 3.46Å; S54-R56 VanDerWaalsContact O-N 3.15Å; S54-R56 PolarHBondContact OG-N 3.17Å; R56-L139 HydrophobicContact CB-CD2 4Å |
| 57 | V | 92.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 73.8 | 179.1 | -168.7 | 0 | 0 | 0 | 0 | 107.4 | S54 L60 Q62 L139 P143 L171 | S54-V57 CarbonylContact O-C 3.57Å; S54-V57 PolarHBondContact O-N 3.36Å; S54-V57 PolarHBondContact OG-N 3.18Å; V57-L60 HydrophobicContact CG1-CB 3.9Å; V57-L60 HydrophobicContact CG1-CD1 3.77Å; V57-L60 HydrophobicContact CG1-CG 3.75Å; V57-Q62 PolarHBondContact O-NE2 3.26Å; V57-Q62 VanDerWaalsContact O-NE2 3.11Å; V57-L139 HydrophobicContact CG2-CD2 4.43Å; V57-P143 HydrophobicContact CG1-CB 4.3Å; V57-P143 HydrophobicContact CG1-CG 4.11Å; V57-P143 HydrophobicContact CG2-CG 4.11Å; V57-L171 HydrophobicContact CB-CD2 4.49Å; V57-L171 HydrophobicContact CG1-CD2 4.26Å |
| 58 | P | 93 | Very high | 95.2 | Very high | 81 Ų | 81 | 40.9 Ų | 40.9 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -22.6 | -167.9 | 29.9 | -35.5 | 0 | 0 | 0 | 113.6 | S54 | S54-P58 WeakPolarHBondContact O-CA 3.43Å; S54-P58 VanDerWaalsContact O-N 3.14Å |
| 59 | D | 92.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 40.4 Ų | 40.4 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -18.8 | -175.9 | 60.7 | -49.3 | 0 | 0 | 0 | 113.9 | R147 | D59-R147 IonicContact OD1-NH2 3.79Å; D59-R147 PolarHBondContact OD1-NH2 2.95Å; D59-R147 IonicContact OD2-CZ 2.85Å; D59-R147 IonicContact OD2-NE 2.64Å; D59-R147 PolarHBondContact OD2-NE 3.4Å; D59-R147 VanDerWaalsContact OD2-NE 3.08Å; D59-R147 IonicContact OD2-NH2 3.68Å; D59-R147 PolarHBondContact OD2-NH2 3.04Å |
| 60 | L | 96 | Very high | 95.5 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137 | -175.1 | -54.3 | -172.3 | 0 | 0 | 0 | 111.6 | V57 Q62 P143 F146 R147 | V57-L60 HydrophobicContact CG1-CB 3.9Å; V57-L60 HydrophobicContact CG1-CD1 3.77Å; V57-L60 HydrophobicContact CG1-CG 3.75Å; L60-Q62 PolarHBondContact O-N 3.27Å; L60-P143 HydrophobicContact CD1-CB 3.77Å; L60-P143 HydrophobicContact CD1-CG 4.36Å; L60-F146 HydrophobicContact CD1-CB 4.18Å; L60-F146 HydrophobicContact CD1-CD1 4.1Å; L60-F146 HydrophobicContact CD1-CD2 4.43Å; L60-F146 HydrophobicContact CD1-CG 4.01Å; L60-F146 HydrophobicContact CD2-CD1 3.68Å; L60-F146 HydrophobicContact CD2-CE1 3.61Å; L60-F146 HydrophobicContact CD2-CG 4.37Å; L60-F146 HydrophobicContact CD2-CZ 4.18Å; L60-F146 HydrophobicContact CG-CD1 4.49Å; L60-R147 HydrophobicContact CD2-CG 4.49Å |
| 61 | P | 97.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 129.4 | 173.9 | 30.7 | -36.1 | 0 | 0 | 0 | 110.2 | F47 Y51 F146 M169 Y170 L171 | F47-P61 HydrophobicContact CE1-CB 4.04Å; F47-P61 HydrophobicContact CE1-CG 3.8Å; F47-P61 HydrophobicContact CZ-CB 4.08Å; F47-P61 HydrophobicContact CZ-CG 3.87Å; Y51-P61 HydrophobicContact CD2-CB 3.39Å; Y51-P61 HydrophobicContact CE2-CB 3.84Å; Y51-P61 HydrophobicContact CG-CB 3.93Å; P61-F146 HydrophobicContact CG-CZ 4.34Å; P61-M169 WeakPolarHBondContact CG-O 3.41Å; P61-Y170 HydrophobicContact CB-CD1 4.02Å; P61-Y170 HydrophobicContact CB-CE1 4.41Å; P61-Y170 HydrophobicContact CG-CD1 4.32Å; P61-Y170 WeakPolarHBondContact O-CA 3.43Å; P61-L171 PolarHBondContact O-N 3.1Å |
| 62 | Q | 98 | Very high | 95.6 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.5 | -178.6 | -66 | -178.6 | 47.5 | 0 | 0 | 111.8 | Y51 F52 S54 V57 L60 L171 S173 | Y51-Q62 CarbonylContact C-O 3.37Å; Y51-Q62 WeakPolarHBondContact CA-O 3.36Å; Y51-Q62 WeakPolarHBondContact CB-O 3.19Å; F52-Q62 HydrophobicContact CD1-CB 4.45Å; F52-Q62 VanDerWaalsContact CD1-O 3.31Å; F52-Q62 WeakPolarHBondContact CD1-O 3.48Å; F52-Q62 HydrophobicContact CD2-CB 4.41Å; F52-Q62 HydrophobicContact CE1-CB 4.23Å; F52-Q62 HydrophobicContact CE2-CB 4.18Å; F52-Q62 HydrophobicContact CZ-CB 4.11Å; F52-Q62 PolarHBondContact N-O 3.06Å; F52-Q62 WeakPolarHBondContact O-CB 3.34Å; F52-Q62 PolarHBondContact O-N 2.51Å; S54-Q62 VanDerWaalsContact CB-NE2 3.28Å; S54-Q62 PolarHBondContact OG-NE2 3.16Å; V57-Q62 PolarHBondContact O-NE2 3.26Å; V57-Q62 VanDerWaalsContact O-NE2 3.11Å; L60-Q62 PolarHBondContact O-N 3.27Å; Q62-L171 CarbonylContact C-O 3.45Å; Q62-L171 WeakPolarHBondContact CA-O 3.29Å; Q62-L171 HydrophobicContact CG-CB 4.13Å; Q62-L171 HydrophobicContact CG-CD2 4.11Å; Q62-S173 PolarHBondContact OE1-OG 3.4Å |
| 63 | I | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 152.5 | 170.6 | 61.4 | 171.8 | 0 | 0 | 0 | 110.2 | L49 V67 L68 I132 Y170 L171 L172 S173 | L49-I63 HydrophobicContact CB-CG2 4.19Å; L49-I63 HydrophobicContact CD1-CD1 4.4Å; L49-I63 HydrophobicContact CD1-CG2 4.2Å; I63-V67 HydrophobicContact CB-CB 4.23Å; I63-V67 HydrophobicContact CB-CG1 4.03Å; I63-V67 HydrophobicContact CG2-CG1 4.06Å; I63-L68 HydrophobicContact CD1-CB 4.12Å; I63-L68 HydrophobicContact CD1-CD1 4.48Å; I63-I132 HydrophobicContact CD1-CD1 3.8Å; I63-I132 HydrophobicContact CD1-CG1 4.02Å; I63-I132 HydrophobicContact CD1-CG2 3.94Å; I63-Y170 HydrophobicContact CG2-CD1 3.57Å; I63-Y170 HydrophobicContact CG2-CE1 4.12Å; I63-Y170 HydrophobicContact CG2-CG 3.83Å; I63-L171 PolarHBondContact N-O 2.85Å; I63-L172 HydrophobicContact CG1-CD1 4.33Å; I63-S173 WeakPolarHBondContact O-CB 3.13Å; I63-S173 PolarHBondContact O-N 2.93Å |
| 64 | S | 97.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | trans | -75.6 | 163.8 | 169.2 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | T66 V67 L68 | S64-T66 VanDerWaalsContact C-N 3.28Å; S64-T66 PolarHBondContact OG-N 3.17Å; S64-V67 PolarHBondContact O-N 3.37Å; S64-V67 WeakPolarHBondContact OG-CG2 3.29Å; S64-V67 PolarHBondContact OG-N 2.73Å; S64-V67 VanDerWaalsContact OG-N 3.14Å; S64-L68 PolarHBondContact O-N 3.1Å; S64-L68 VanDerWaalsContact O-N 3.17Å | ||
| 65 | D | 98 | Very high | 96.2 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 165.6 | 41.5 | -16.2 | 0 | 0 | 0 | 112.1 | V67 L68 V69 K178 F179 N182 | D65-V67 PolarHBondContact O-N 2.86Å; D65-L68 WeakPolarHBondContact O-CB 3.46Å; D65-L68 PolarHBondContact O-N 2.69Å; D65-V69 WeakPolarHBondContact O-CG2 3.5Å; D65-V69 PolarHBondContact O-N 2.62Å; D65-K178 IonicContact OD1-NZ 3.5Å; D65-K178 PolarHBondContact OD1-NZ 3.37Å; D65-K178 WeakPolarHBondContact OD2-CE 3.34Å; D65-K178 IonicContact OD2-NZ 3.57Å; D65-F179 HydrophobicContact CB-CD2 3.86Å; D65-N182 PolarHBondContact OD2-ND2 3.35Å |
| 66 | T | 97.9 | Very high | 96.3 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.8 | -48.7 | 174.9 | -46.9 | 0 | 0 | 0 | 0 | 112.5 | S64 L68 V69 E70 | S64-T66 VanDerWaalsContact C-N 3.28Å; S64-T66 PolarHBondContact OG-N 3.17Å; T66-L68 VanDerWaalsContact C-N 3.28Å; T66-L68 PolarHBondContact O-N 2.69Å; T66-V69 WeakPolarHBondContact O-CB 3.46Å; T66-V69 PolarHBondContact O-N 3.27Å; T66-V69 VanDerWaalsContact O-N 3.12Å; T66-E70 WeakPolarHBondContact O-CG 3.22Å; T66-E70 PolarHBondContact O-N 2.96Å |
| 67 | V | 97.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -36.7 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | L49 P50 I63 S64 D65 E70 L71 F76 | L49-V67 HydrophobicContact CB-CG1 4.06Å; L49-V67 HydrophobicContact CD1-CG1 4.16Å; L49-V67 HydrophobicContact CD2-CG1 4.24Å; L49-V67 HydrophobicContact CG-CG1 4.4Å; P50-V67 HydrophobicContact CB-CG2 4.3Å; I63-V67 HydrophobicContact CB-CB 4.23Å; I63-V67 HydrophobicContact CB-CG1 4.03Å; I63-V67 HydrophobicContact CG2-CG1 4.06Å; S64-V67 PolarHBondContact O-N 3.37Å; S64-V67 WeakPolarHBondContact OG-CG2 3.29Å; S64-V67 PolarHBondContact OG-N 2.73Å; S64-V67 VanDerWaalsContact OG-N 3.14Å; D65-V67 PolarHBondContact O-N 2.86Å; V67-E70 PolarHBondContact O-N 2.82Å; V67-L71 WeakPolarHBondContact O-CB 3.38Å; V67-L71 PolarHBondContact O-N 3.39Å; V67-F76 HydrophobicContact CG1-CE2 4.46Å; V67-F76 HydrophobicContact CG1-CZ 4.49Å |
| 68 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 175 | 179.4 | 59.5 | 0 | 0 | 0 | 112 | I63 S64 D65 T66 L71 I72 I85 I99 I132 L172 F179 | I63-L68 HydrophobicContact CD1-CB 4.12Å; I63-L68 HydrophobicContact CD1-CD1 4.48Å; S64-L68 PolarHBondContact O-N 3.1Å; S64-L68 VanDerWaalsContact O-N 3.17Å; D65-L68 WeakPolarHBondContact O-CB 3.46Å; D65-L68 PolarHBondContact O-N 2.69Å; T66-L68 VanDerWaalsContact C-N 3.28Å; T66-L68 PolarHBondContact O-N 2.69Å; L68-L71 HydrophobicContact CD1-CD2 4.28Å; L68-L71 PolarHBondContact O-N 3.33Å; L68-I72 HydrophobicContact CD1-CD1 4.09Å; L68-I72 HydrophobicContact CD1-CG1 4.33Å; L68-I72 HydrophobicContact CG-CD1 4.01Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 2.87Å; L68-I85 HydrophobicContact CD1-CD1 3.94Å; L68-I85 HydrophobicContact CD1-CG1 4.4Å; L68-I99 HydrophobicContact CD2-CD1 3.72Å; L68-I132 HydrophobicContact CD1-CD1 3.85Å; L68-L172 HydrophobicContact CB-CD1 4.09Å; L68-L172 HydrophobicContact CD2-CD1 3.77Å; L68-L172 HydrophobicContact CD2-CD2 3.66Å; L68-L172 HydrophobicContact CD2-CG 4.27Å; L68-F179 HydrophobicContact CB-CE2 4.37Å; L68-F179 HydrophobicContact CD2-CD2 3.97Å; L68-F179 HydrophobicContact CD2-CE2 3.71Å; L68-F179 HydrophobicContact CD2-CZ 4.45Å; L68-F179 HydrophobicContact CG-CE2 4.06Å |
| 69 | V | 98 | Very high | 96 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | D65 T66 L71 I72 E73 F179 H183 M186 | D65-V69 WeakPolarHBondContact O-CG2 3.5Å; D65-V69 PolarHBondContact O-N 2.62Å; T66-V69 WeakPolarHBondContact O-CB 3.46Å; T66-V69 PolarHBondContact O-N 3.27Å; T66-V69 VanDerWaalsContact O-N 3.12Å; V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 3.13Å; V69-I72 PolarHBondContact O-N 3.34Å; V69-E73 HydrophobicContact CG1-CG 4.18Å; V69-E73 WeakPolarHBondContact O-CB 3.25Å; V69-E73 WeakPolarHBondContact O-CG 3.37Å; V69-E73 PolarHBondContact O-N 3.09Å; V69-F179 HydrophobicContact CG2-CE2 4.04Å; V69-F179 HydrophobicContact CG2-CZ 4.32Å; V69-H183 HydrophobicContact CG2-CB 4.45Å; V69-M186 HydrophobicContact CB-CE 4.5Å; V69-M186 HydrophobicContact CB-SD 4.16Å; V69-M186 HydrophobicContact CG1-CE 4.17Å; V69-M186 HydrophobicContact CG1-SD 3.79Å; V69-M186 HydrophobicContact CG2-CE 4.3Å; V69-M186 HydrophobicContact CG2-SD 3.53Å; V69-M186 VanDerWaalsContact CG2-SD 3.53Å |
| 70 | E | 97.5 | Very high | 96 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.8 | -40.6 | 176.9 | -72.1 | 169.5 | -178.6 | 0 | 0 | 111.9 | T66 V67 E73 G74 Q75 F76 | T66-E70 WeakPolarHBondContact O-CG 3.22Å; T66-E70 PolarHBondContact O-N 2.96Å; V67-E70 PolarHBondContact O-N 2.82Å; E70-E73 PolarHBondContact O-N 2.92Å; E70-G74 PolarHBondContact O-N 2.82Å; E70-Q75 HydrophobicContact CB-CB 4.04Å; E70-Q75 HydrophobicContact CB-CG 4Å; E70-Q75 HydrophobicContact CG-CG 4.35Å; E70-Q75 VanDerWaalsContact O-CB 3.28Å; E70-Q75 WeakPolarHBondContact O-CB 3.31Å; E70-Q75 WeakPolarHBondContact O-CG 3.33Å; E70-Q75 PolarHBondContact O-N 3.25Å; E70-F76 HydrophobicContact CB-CD2 4.39Å; E70-F76 HydrophobicContact CB-CE2 3.68Å |
| 71 | L | 97 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 173.1 | 177.1 | 68.7 | 0 | 0 | 0 | 112.7 | L49 V67 L68 V69 E73 G74 F76 I80 F83 I130 I132 | L49-L71 HydrophobicContact CD1-CD2 4.25Å; L49-L71 HydrophobicContact CD2-CD1 4.49Å; V67-L71 WeakPolarHBondContact O-CB 3.38Å; V67-L71 PolarHBondContact O-N 3.39Å; L68-L71 HydrophobicContact CD1-CD2 4.28Å; L68-L71 PolarHBondContact O-N 3.33Å; V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 3.13Å; L71-E73 VanDerWaalsContact C-N 3.27Å; L71-E73 PolarHBondContact O-N 3.34Å; L71-G74 PolarHBondContact O-N 3.04Å; L71-G74 VanDerWaalsContact O-N 3.16Å; L71-F76 HydrophobicContact CB-CD2 4.17Å; L71-F76 HydrophobicContact CD1-CB 4.23Å; L71-F76 HydrophobicContact CD1-CD2 4.41Å; L71-I80 HydrophobicContact CD1-CB 4.47Å; L71-I80 HydrophobicContact CD1-CD1 3.72Å; L71-I80 HydrophobicContact CD1-CG2 4.16Å; L71-F83 HydrophobicContact CD1-CD1 3.8Å; L71-F83 HydrophobicContact CD1-CE1 4.26Å; L71-F83 HydrophobicContact CD1-CG 4.27Å; L71-F83 HydrophobicContact CD2-CB 4.02Å; L71-F83 HydrophobicContact CD2-CD1 4.11Å; L71-F83 HydrophobicContact CD2-CD2 4.02Å; L71-F83 HydrophobicContact CD2-CG 3.79Å; L71-F83 HydrophobicContact CG-CD1 3.82Å; L71-F83 HydrophobicContact CG-CD2 4.42Å; L71-F83 HydrophobicContact CG-CE1 4.02Å; L71-F83 HydrophobicContact CG-CG 4.04Å; L71-F83 HydrophobicContact CG-CZ 4.41Å; L71-I130 HydrophobicContact CD1-CD1 4.25Å; L71-I130 HydrophobicContact CD2-CD1 3.77Å; L71-I132 HydrophobicContact CD2-CD1 3.28Å |
| 72 | I | 96.8 | Very high | 95.6 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 179.9 | -68.1 | 166.1 | 0 | 0 | 0 | 111.1 | L68 V69 G74 F83 I85 I99 M186 | L68-I72 HydrophobicContact CD1-CD1 4.09Å; L68-I72 HydrophobicContact CD1-CG1 4.33Å; L68-I72 HydrophobicContact CG-CD1 4.01Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 2.87Å; V69-I72 PolarHBondContact O-N 3.34Å; I72-G74 PolarHBondContact O-N 2.93Å; I72-F83 HydrophobicContact CG1-CE2 4.17Å; I72-F83 HydrophobicContact CG1-CZ 4.16Å; I72-I85 HydrophobicContact CD1-CD1 3.96Å; I72-I85 HydrophobicContact CG1-CD1 4.24Å; I72-I99 HydrophobicContact CD1-CG2 4.11Å; I72-M186 HydrophobicContact CB-CE 3.85Å; I72-M186 HydrophobicContact CD1-CE 3.94Å; I72-M186 HydrophobicContact CG2-CE 3.56Å |
| 73 | E | 96.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 3.7 | 177.9 | -67.5 | -177.2 | 162.6 | 0 | 0 | 113.5 | V69 E70 L71 | V69-E73 HydrophobicContact CG1-CG 4.18Å; V69-E73 WeakPolarHBondContact O-CB 3.25Å; V69-E73 WeakPolarHBondContact O-CG 3.37Å; V69-E73 PolarHBondContact O-N 3.09Å; E70-E73 PolarHBondContact O-N 2.92Å; L71-E73 VanDerWaalsContact C-N 3.27Å; L71-E73 PolarHBondContact O-N 3.34Å |
| 74 | G | 95.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 13 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E70 L71 I72 F76 Q77 | E70-G74 PolarHBondContact O-N 2.82Å; L71-G74 PolarHBondContact O-N 3.04Å; L71-G74 VanDerWaalsContact O-N 3.16Å; I72-G74 PolarHBondContact O-N 2.93Å; G74-F76 PolarHBondContact O-N 3.08Å; G74-F76 VanDerWaalsContact O-N 3.12Å; G74-Q77 WeakPolarHBondContact O-CB 3.4Å; G74-Q77 VanDerWaalsContact O-CG 3.28Å; G74-Q77 WeakPolarHBondContact O-CG 3.35Å; G74-Q77 PolarHBondContact O-N 2.83Å; G74-Q77 VanDerWaalsContact O-N 3.15Å |
| 75 | Q | 96.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 51.4 Ų | 51.4 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.8 | 179.9 | -59.9 | -58.2 | -61 | 0 | 0 | 113.4 | E70 | E70-Q75 HydrophobicContact CB-CB 4.04Å; E70-Q75 HydrophobicContact CB-CG 4Å; E70-Q75 HydrophobicContact CG-CG 4.35Å; E70-Q75 VanDerWaalsContact O-CB 3.28Å; E70-Q75 WeakPolarHBondContact O-CB 3.31Å; E70-Q75 WeakPolarHBondContact O-CG 3.33Å; E70-Q75 PolarHBondContact O-N 3.25Å |
| 76 | F | 94 | Very high | 95.4 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 16.5 | 178.1 | -59.9 | -86.5 | 0 | 0 | 0 | 113.5 | L49 V67 E70 L71 G74 D78 S79 I80 | L49-F76 HydrophobicContact CD2-CB 4.3Å; L49-F76 HydrophobicContact CD2-CD1 3.59Å; L49-F76 HydrophobicContact CD2-CD2 3.65Å; L49-F76 HydrophobicContact CD2-CE1 3.7Å; L49-F76 HydrophobicContact CD2-CE2 3.74Å; L49-F76 HydrophobicContact CD2-CG 3.57Å; L49-F76 HydrophobicContact CD2-CZ 3.77Å; V67-F76 HydrophobicContact CG1-CE2 4.46Å; V67-F76 HydrophobicContact CG1-CZ 4.49Å; E70-F76 HydrophobicContact CB-CD2 4.39Å; E70-F76 HydrophobicContact CB-CE2 3.68Å; L71-F76 HydrophobicContact CB-CD2 4.17Å; L71-F76 HydrophobicContact CD1-CB 4.23Å; L71-F76 HydrophobicContact CD1-CD2 4.41Å; G74-F76 PolarHBondContact O-N 3.08Å; G74-F76 VanDerWaalsContact O-N 3.12Å; F76-D78 PolarHBondContact O-N 3.46Å; F76-D78 VanDerWaalsContact O-N 3.12Å; F76-S79 PolarHBondContact O-N 2.92Å; F76-S79 VanDerWaalsContact O-N 3.09Å; F76-S79 PolarHBondContact O-OG 3.48Å; F76-I80 HydrophobicContact CB-CB 4.42Å; F76-I80 HydrophobicContact CB-CD1 3.76Å; F76-I80 HydrophobicContact CB-CG1 4.25Å; F76-I80 HydrophobicContact CG-CD1 4.31Å; F76-I80 PolarHBondContact O-N 2.86Å |
| 77 | Q | 91.6 | Very high | 95.4 | Very high | 145 Ų | 145 | 47.6 Ų | 47.6 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.4 | -176.6 | 67.6 | -173 | -7.4 | 0 | 0 | 114.2 | G74 | G74-Q77 WeakPolarHBondContact O-CB 3.4Å; G74-Q77 VanDerWaalsContact O-CG 3.28Å; G74-Q77 WeakPolarHBondContact O-CG 3.35Å; G74-Q77 PolarHBondContact O-N 2.83Å; G74-Q77 VanDerWaalsContact O-N 3.15Å |
| 78 | D | 91 | Very high | 95.4 | Very high | 160 Ų | 160 | 47 Ų | 47 | 86% | 0.856 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -24.6 | 179.4 | -64.5 | -27.8 | 0 | 0 | 0 | 112.7 | F76 | F76-D78 PolarHBondContact O-N 3.46Å; F76-D78 VanDerWaalsContact O-N 3.12Å |
| 79 | S | 90 | Very high | 95.4 | Very high | 55 Ų | 55 | 47 Ų | 47 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -25.2 | -177.4 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | F76 R128 | F76-S79 PolarHBondContact O-N 2.92Å; F76-S79 VanDerWaalsContact O-N 3.09Å; F76-S79 PolarHBondContact O-OG 3.48Å; S79-R128 VanDerWaalsContact O-CB 3.23Å; S79-R128 WeakPolarHBondContact O-CB 3.14Å |
| 80 | I | 92.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.2 | -176.2 | -62.8 | 172.2 | 0 | 0 | 0 | 108.9 | A48 L49 L71 F76 S82 I130 | A48-I80 HydrophobicContact CB-CD1 4.1Å; A48-I80 HydrophobicContact CB-CG1 4.01Å; L49-I80 HydrophobicContact CD1-CD1 4.39Å; L49-I80 HydrophobicContact CD2-CD1 3.4Å; L49-I80 VanDerWaalsContact CD2-CD1 3.4Å; L49-I80 HydrophobicContact CG-CD1 3.8Å; L71-I80 HydrophobicContact CD1-CB 4.47Å; L71-I80 HydrophobicContact CD1-CD1 3.72Å; L71-I80 HydrophobicContact CD1-CG2 4.16Å; F76-I80 HydrophobicContact CB-CB 4.42Å; F76-I80 HydrophobicContact CB-CD1 3.76Å; F76-I80 HydrophobicContact CB-CG1 4.25Å; F76-I80 HydrophobicContact CG-CD1 4.31Å; F76-I80 PolarHBondContact O-N 2.86Å; I80-S82 WeakPolarHBondContact CG2-O 3.45Å; I80-I130 HydrophobicContact CD1-CD1 3.77Å; I80-I130 HydrophobicContact CG2-CD1 4.35Å; I80-I130 HydrophobicContact CG2-CG1 4.07Å |
| 81 | A | 92 | Very high | 95.5 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -35 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | I124 R128 | A81-I124 HydrophobicContact CB-CB 4.18Å; A81-I124 HydrophobicContact CB-CD1 3.87Å; A81-I124 HydrophobicContact CB-CG2 4.43Å; A81-R128 PolarHBondContact N-O 3Å |
| 82 | S | 92.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156.8 | 173.3 | 80.6 | 0 | 0 | 0 | 0 | 111.6 | I80 R128 N129 I130 | I80-S82 WeakPolarHBondContact CG2-O 3.45Å; S82-R128 PolarHBondContact N-O 3.35Å; S82-N129 WeakPolarHBondContact O-CA 3.28Å; S82-N129 PolarHBondContact OG-OD1 2.99Å; S82-I130 PolarHBondContact O-N 3.25Å; S82-I130 VanDerWaalsContact O-N 3.1Å |
| 83 | F | 95 | Very high | 95.6 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.4 | 173.3 | 62.6 | -92.1 | 0 | 0 | 0 | 110.7 | L71 I72 I85 I130 | L71-F83 HydrophobicContact CD1-CD1 3.8Å; L71-F83 HydrophobicContact CD1-CE1 4.26Å; L71-F83 HydrophobicContact CD1-CG 4.27Å; L71-F83 HydrophobicContact CD2-CB 4.02Å; L71-F83 HydrophobicContact CD2-CD1 4.11Å; L71-F83 HydrophobicContact CD2-CD2 4.02Å; L71-F83 HydrophobicContact CD2-CG 3.79Å; L71-F83 HydrophobicContact CG-CD1 3.82Å; L71-F83 HydrophobicContact CG-CD2 4.42Å; L71-F83 HydrophobicContact CG-CE1 4.02Å; L71-F83 HydrophobicContact CG-CG 4.04Å; L71-F83 HydrophobicContact CG-CZ 4.41Å; I72-F83 HydrophobicContact CG1-CE2 4.17Å; I72-F83 HydrophobicContact CG1-CZ 4.16Å; F83-I85 HydrophobicContact CD2-CD1 4.32Å; F83-I85 HydrophobicContact CD2-CG1 3.9Å; F83-I85 HydrophobicContact CE2-CD1 3.97Å; F83-I85 HydrophobicContact CE2-CG1 4.05Å; F83-I130 CarbonylContact C-O 3.51Å; F83-I130 VanDerWaalsContact CA-O 3.29Å; F83-I130 WeakPolarHBondContact CA-O 3.21Å; F83-I130 HydrophobicContact CB-CD1 4.07Å; F83-I130 HydrophobicContact CB-CG1 3.49Å; F83-I130 VanDerWaalsContact CB-CG1 3.49Å |
| 84 | L | 95.7 | Very high | 95.7 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.6 | 175.8 | -177.5 | 60.7 | 0 | 0 | 0 | 110 | I86 V103 V114 F115 V121 I130 I131 I132 | L84-I86 HydrophobicContact CD1-CD1 4.28Å; L84-I86 HydrophobicContact CD2-CD1 3.62Å; L84-I86 HydrophobicContact CD2-CG1 4.48Å; L84-I86 HydrophobicContact CG-CD1 3.59Å; L84-I86 HydrophobicContact CG-CG1 4.22Å; L84-V103 HydrophobicContact CD1-CB 4.42Å; L84-V103 HydrophobicContact CD1-CG2 3.83Å; L84-V114 HydrophobicContact CD2-CG1 3.88Å; L84-F115 HydrophobicContact CD2-CE1 4.15Å; L84-V121 HydrophobicContact CD2-CG2 4.2Å; L84-I130 PolarHBondContact N-O 3.19Å; L84-I131 WeakPolarHBondContact O-CA 3.18Å; L84-I132 PolarHBondContact O-N 2.84Å |
| 85 | I | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.1 | 177.1 | -46 | 175.4 | 0 | 0 | 0 | 108.6 | L68 I72 F83 I99 A102 V103 I132 Y134 | L68-I85 HydrophobicContact CD1-CD1 3.94Å; L68-I85 HydrophobicContact CD1-CG1 4.4Å; I72-I85 HydrophobicContact CD1-CD1 3.96Å; I72-I85 HydrophobicContact CG1-CD1 4.24Å; F83-I85 HydrophobicContact CD2-CD1 4.32Å; F83-I85 HydrophobicContact CD2-CG1 3.9Å; F83-I85 HydrophobicContact CE2-CD1 3.97Å; F83-I85 HydrophobicContact CE2-CG1 4.05Å; I85-I99 HydrophobicContact CD1-CG2 4.25Å; I85-A102 HydrophobicContact CB-CB 4.11Å; I85-A102 HydrophobicContact CG2-CB 4.06Å; I85-A102 CarbonylContact O-C 3.3Å; I85-A102 VanDerWaalsContact O-CA 3.31Å; I85-A102 WeakPolarHBondContact O-CA 3.44Å; I85-V103 PolarHBondContact O-N 3.08Å; I85-I132 CarbonylContact C-O 3.58Å; I85-I132 WeakPolarHBondContact CA-O 3.29Å; I85-Y134 HydrophobicContact CG2-CD1 3.78Å; I85-Y134 HydrophobicContact CG2-CE1 3.53Å |
| 86 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.9 | -174.8 | -56.3 | -66.4 | 0 | 0 | 0 | 110 | L84 V105 V114 F115 I131 I132 F133 Y134 | L84-I86 HydrophobicContact CD1-CD1 4.28Å; L84-I86 HydrophobicContact CD2-CD1 3.62Å; L84-I86 HydrophobicContact CD2-CG1 4.48Å; L84-I86 HydrophobicContact CG-CD1 3.59Å; L84-I86 HydrophobicContact CG-CG1 4.22Å; I86-V105 HydrophobicContact CD1-CG2 4.07Å; I86-V105 HydrophobicContact CG2-CB 3.85Å; I86-V105 HydrophobicContact CG2-CG2 3.78Å; I86-V114 HydrophobicContact CD1-CG1 4.12Å; I86-F115 HydrophobicContact CD1-CE1 3.99Å; I86-F115 HydrophobicContact CD1-CZ 3.67Å; I86-F115 HydrophobicContact CG1-CE1 4.29Å; I86-F115 HydrophobicContact CG1-CZ 3.86Å; I86-I131 HydrophobicContact CG1-CG2 3.71Å; I86-I132 PolarHBondContact N-O 2.88Å; I86-F133 HydrophobicContact CB-CD1 3.77Å; I86-F133 HydrophobicContact CB-CE1 4Å; I86-F133 HydrophobicContact CB-CG 4.45Å; I86-F133 HydrophobicContact CG1-CD1 4.32Å; I86-F133 HydrophobicContact CG1-CE1 4.12Å; I86-F133 HydrophobicContact CG2-CD1 3.72Å; I86-F133 HydrophobicContact CG2-CE1 3.82Å; I86-Y134 VanDerWaalsContact O-CD1 3.28Å; I86-Y134 WeakPolarHBondContact O-CD1 3.45Å; I86-Y134 PolarHBondContact O-N 2.62Å |
| 87 | D | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 110.2 | 170.6 | -166.7 | -22 | 0 | 0 | 0 | 110.3 | R89 Y94 V103 N104 V105 Y134 | D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 WeakPolarHBondContact OD1-CB 3.34Å; D87-R89 WeakPolarHBondContact OD1-CG 3.33Å; D87-R89 PolarHBondContact OD1-N 3.29Å; D87-R89 IonicContact OD1-NE 3.37Å; D87-R89 PolarHBondContact OD1-NE 3.45Å; D87-R89 VanDerWaalsContact OD1-NE 3.15Å; D87-R89 IonicContact OD2-CZ 3.8Å; D87-R89 VanDerWaalsContact OD2-CZ 3.27Å; D87-R89 IonicContact OD2-NE 3.47Å; D87-R89 PolarHBondContact OD2-NE 3.33Å; D87-R89 IonicContact OD2-NH2 2.69Å; D87-R89 PolarHBondContact OD2-NH2 2.76Å; D87-Y94 HydrophobicContact CB-CD2 3.81Å; D87-Y94 HydrophobicContact CB-CE2 4.33Å; D87-Y94 WeakPolarHBondContact OD2-CD2 3.29Å; D87-V103 PolarHBondContact N-O 3.47Å; D87-N104 WeakPolarHBondContact O-CA 3.29Å; D87-N104 PolarHBondContact O-ND2 2.93Å; D87-V105 PolarHBondContact O-N 3.41Å; D87-Y134 HydrophobicContact CB-CE1 3.75Å; D87-Y134 HydrophobicContact CB-CE2 3.94Å; D87-Y134 VanDerWaalsContact CB-CZ 3.43Å; D87-Y134 WeakPolarHBondContact CB-OH 3.47Å; D87-Y134 VanDerWaalsContact CG-CZ 3.41Å; D87-Y134 WeakPolarHBondContact OD2-CE2 3.38Å; D87-Y134 PolarHBondContact OD2-OH 2.94Å; D87-Y134 VanDerWaalsContact OD2-OH 3.07Å |
| 88 | C | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -89.8 | 9.7 | 178.5 | -52.1 | 0 | 0 | 0 | 0 | 113.7 | Y134 C135 R141 M145 R210 | C88-Y134 VanDerWaalsContact CB-O 3.32Å; C88-Y134 WeakPolarHBondContact CB-O 3.43Å; C88-Y134 PolarHBondContact N-O 2.8Å; C88-C135 HydrophobicContact CB-CB 4.32Å; C88-R141 HydrophobicContact CB-CB 4.33Å; C88-M145 HydrophobicContact CB-CB 4.41Å; C88-M145 WeakPolarHBondContact SG-CB 3.45Å; C88-R210 PolarHBondContact O-NH1 3.44Å; C88-R210 PolarHBondContact O-NH2 3.32Å | ||
| 89 | R | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -72.2 | 173.4 | 173.7 | -65.2 | -178.5 | -62.7 | 154.4 | -1.1 | 111.7 | D87 E93 G97 N104 C135 E136 Y176 R210 | D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 WeakPolarHBondContact OD1-CB 3.34Å; D87-R89 WeakPolarHBondContact OD1-CG 3.33Å; D87-R89 PolarHBondContact OD1-N 3.29Å; D87-R89 IonicContact OD1-NE 3.37Å; D87-R89 PolarHBondContact OD1-NE 3.45Å; D87-R89 VanDerWaalsContact OD1-NE 3.15Å; D87-R89 IonicContact OD2-CZ 3.8Å; D87-R89 VanDerWaalsContact OD2-CZ 3.27Å; D87-R89 IonicContact OD2-NE 3.47Å; D87-R89 PolarHBondContact OD2-NE 3.33Å; D87-R89 IonicContact OD2-NH2 2.69Å; D87-R89 PolarHBondContact OD2-NH2 2.76Å; R89-E93 HydrophobicContact CB-CB 3.78Å; R89-E93 HydrophobicContact CB-CG 4.38Å; R89-E93 WeakPolarHBondContact CD-OE1 3.33Å; R89-E93 HydrophobicContact CG-CB 4.46Å; R89-E93 PolarHBondContact NH1-O 3.36Å; R89-G97 PolarHBondContact NH1-O 2.87Å; R89-G97 PolarHBondContact NH2-O 2.8Å; R89-N104 PolarHBondContact O-ND2 3.31Å; R89-C135 HydrophobicContact CG-CB 4.09Å; R89-E136 HydrophobicContact CG-CB 4.42Å; R89-Y176 VanDerWaalsContact NH1-CD1 3.26Å; R89-R210 PolarHBondContact O-NH2 2.7Å |
| 90 | Y | 98.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | trans | -71.2 | 155.4 | 173.4 | -58.9 | -47.2 | 0 | 0 | 0 | 111.3 | Y92 E93 Y94 H106 M195 W203 C206 R207 R210 | Y90-Y92 VanDerWaalsContact C-N 3.26Å; Y90-Y92 AromaticContact CD2-CE1 3.82Å; Y90-Y92 HydrophobicContact CD2-CE1 3.82Å; Y90-Y92 AromaticContact CD2-CZ 3.9Å; Y90-Y92 WeakPolarHBondContact CD2-OH 3.18Å; Y90-Y92 AromaticContact CG-CE1 3.96Å; Y90-Y92 HydrophobicContact CG-CE1 3.96Å; Y90-Y92 PolarHBondContact O-N 2.81Å; Y90-E93 VanDerWaalsContact CB-OE2 3.24Å; Y90-E93 WeakPolarHBondContact CB-OE2 3.49Å; Y90-E93 WeakPolarHBondContact CD2-OE2 3.18Å; Y90-E93 PolarHBondContact N-OE2 3.01Å; Y90-E93 WeakPolarHBondContact O-CB 3.49Å; Y90-E93 PolarHBondContact O-N 2.76Å; Y90-Y94 PolarHBondContact O-N 2.76Å; Y90-Y94 VanDerWaalsContact O-N 3.13Å; Y90-H106 AromaticContact CD1-CE1 3.28Å; Y90-H106 WeakPolarHBondContact CD1-CE1 3.3Å; Y90-H106 AromaticContact CD1-ND1 3.51Å; Y90-H106 AromaticContact CE1-CE1 3.64Å; Y90-M195 HydrophobicContact CD2-CG 3.81Å; Y90-M195 HydrophobicContact CD2-SD 4.47Å; Y90-M195 HydrophobicContact CE2-CG 3.66Å; Y90-M195 HydrophobicContact CE2-SD 3.78Å; Y90-W203 HydrophobicContact CD2-CB 4.35Å; Y90-W203 HydrophobicContact CE2-CB 4.03Å; Y90-C206 HydrophobicContact CD1-CB 3.32Å; Y90-C206 HydrophobicContact CD2-CB 4Å; Y90-C206 HydrophobicContact CE1-CB 3.67Å; Y90-C206 HydrophobicContact CE2-CB 4.33Å; Y90-C206 HydrophobicContact CG-CB 3.49Å; Y90-C206 VanDerWaalsContact CG-CB 3.49Å; Y90-R207 VanDerWaalsContact OH-CA 3.31Å; Y90-R207 WeakPolarHBondContact OH-CA 3.47Å; Y90-R207 VanDerWaalsContact OH-CB 3.24Å; Y90-R207 WeakPolarHBondContact OH-CB 3.35Å; Y90-R210 VanDerWaalsContact CE1-NH1 3.31Å | ||
| 91 | P | 97.9 | Very high | 97.2 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.9 | -37.2 | -175.6 | -29.3 | 36.7 | 0 | 0 | 0 | 113.8 | Y94 N95 H106 | P91-Y94 PolarHBondContact O-N 2.84Å; P91-N95 VanDerWaalsContact O-CB 3.29Å; P91-N95 WeakPolarHBondContact O-CB 3.42Å; P91-N95 PolarHBondContact O-N 3.26Å; P91-N95 PolarHBondContact O-ND2 2.92Å; P91-N95 VanDerWaalsContact O-ND2 3.15Å; P91-H106 HydrophobicContact CG-CB 4.09Å |
| 92 | Y | 97.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.4 | -33.5 | 178.8 | 67.3 | -92.6 | 0 | 0 | 0 | 113.3 | Y90 G96 V193 M195 Y200 W203 C206 | Y90-Y92 VanDerWaalsContact C-N 3.26Å; Y90-Y92 AromaticContact CD2-CE1 3.82Å; Y90-Y92 HydrophobicContact CD2-CE1 3.82Å; Y90-Y92 AromaticContact CD2-CZ 3.9Å; Y90-Y92 WeakPolarHBondContact CD2-OH 3.18Å; Y90-Y92 AromaticContact CG-CE1 3.96Å; Y90-Y92 HydrophobicContact CG-CE1 3.96Å; Y90-Y92 PolarHBondContact O-N 2.81Å; Y92-G96 PolarHBondContact O-N 2.87Å; Y92-V193 HydrophobicContact CD2-CG1 4.15Å; Y92-M195 PolarHBondContact OH-O 3.34Å; Y92-Y200 VanDerWaalsContact CB-O 3.24Å; Y92-Y200 WeakPolarHBondContact CB-O 3.38Å; Y92-W203 VanDerWaalsContact OH-CA 3.31Å; Y92-W203 WeakPolarHBondContact OH-CA 3.47Å; Y92-W203 WeakPolarHBondContact OH-CB 3.2Å; Y92-C206 HydrophobicContact CE1-CB 4.45Å |
| 93 | E | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 173.1 | -68.8 | 167.7 | 83.3 | 0 | 0 | 110.4 | R89 Y90 G96 G97 R141 | R89-E93 HydrophobicContact CB-CB 3.78Å; R89-E93 HydrophobicContact CB-CG 4.38Å; R89-E93 WeakPolarHBondContact CD-OE1 3.33Å; R89-E93 HydrophobicContact CG-CB 4.46Å; R89-E93 PolarHBondContact NH1-O 3.36Å; Y90-E93 VanDerWaalsContact CB-OE2 3.24Å; Y90-E93 WeakPolarHBondContact CB-OE2 3.49Å; Y90-E93 WeakPolarHBondContact CD2-OE2 3.18Å; Y90-E93 PolarHBondContact N-OE2 3.01Å; Y90-E93 WeakPolarHBondContact O-CB 3.49Å; Y90-E93 PolarHBondContact O-N 2.76Å; E93-G96 PolarHBondContact O-N 2.8Å; E93-G97 PolarHBondContact O-N 3.35Å; E93-R141 VanDerWaalsContact CD-NH1 3.31Å; E93-R141 IonicContact OE1-CZ 3.55Å; E93-R141 IonicContact OE1-NH1 3.99Å; E93-R141 PolarHBondContact OE1-NH1 3.13Å; E93-R141 VanDerWaalsContact OE1-NH1 3.14Å; E93-R141 IonicContact OE1-NH2 3.27Å; E93-R141 PolarHBondContact OE1-NH2 3.37Å; E93-R141 IonicContact OE2-CZ 2.68Å; E93-R141 IonicContact OE2-NH1 3.01Å; E93-R141 PolarHBondContact OE2-NH1 3.15Å; E93-R141 IonicContact OE2-NH2 2.76Å |
| 94 | Y | 98.6 | Very high | 97.9 | Very high | 41 Ų | 41 | 28.3 Ų | 28.3 | 16% | 0.161 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -50.1 | 177.7 | 172 | -91.5 | 0 | 0 | 0 | 111.5 | D87 Y90 P91 G96 G97 H98 A102 N104 | D87-Y94 HydrophobicContact CB-CD2 3.81Å; D87-Y94 HydrophobicContact CB-CE2 4.33Å; D87-Y94 WeakPolarHBondContact OD2-CD2 3.29Å; Y90-Y94 PolarHBondContact O-N 2.76Å; Y90-Y94 VanDerWaalsContact O-N 3.13Å; P91-Y94 PolarHBondContact O-N 2.84Å; Y94-G96 PolarHBondContact O-N 3.43Å; Y94-G97 CarbonylContact O-C 3.18Å; Y94-G97 VanDerWaalsContact O-C 3.28Å; Y94-G97 PolarHBondContact O-N 3.33Å; Y94-H98 AromaticContact CD1-ND1 3.87Å; Y94-H98 HydrophobicContact CD2-CB 3.39Å; Y94-H98 AromaticContact CD2-CG 3.51Å; Y94-H98 AromaticContact CD2-ND1 3.78Å; Y94-H98 AromaticContact CE1-CE1 3.65Å; Y94-H98 AromaticContact CE1-ND1 3.69Å; Y94-H98 HydrophobicContact CE2-CB 3.56Å; Y94-H98 AromaticContact CE2-CD2 3.42Å; Y94-H98 VanDerWaalsContact CE2-CD2 3.42Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.46Å; Y94-H98 AromaticContact CE2-CG 3.25Å; Y94-H98 AromaticContact CE2-ND1 3.64Å; Y94-H98 AromaticContact CE2-NE2 3.93Å; Y94-H98 HydrophobicContact CG-CB 4.14Å; Y94-H98 AromaticContact CG-ND1 3.91Å; Y94-H98 AromaticContact CZ-CD2 3.54Å; Y94-H98 AromaticContact CZ-CE1 3.53Å; Y94-H98 AromaticContact CZ-CG 3.61Å; Y94-H98 AromaticContact CZ-ND1 3.58Å; Y94-H98 AromaticContact CZ-NE2 3.52Å; Y94-H98 PolarHBondContact O-ND1 3.29Å; Y94-H98 PolarHBondContact OH-NE2 2.98Å; Y94-A102 HydrophobicContact CE2-CB 4.47Å; Y94-A102 PolarHBondContact OH-O 3.11Å; Y94-N104 HydrophobicContact CD1-CB 3.86Å; Y94-N104 HydrophobicContact CD2-CB 3.67Å; Y94-N104 HydrophobicContact CE1-CB 4.14Å; Y94-N104 HydrophobicContact CE2-CB 3.93Å; Y94-N104 HydrophobicContact CG-CB 3.63Å |
| 95 | N | 97.8 | Very high | 98 | Very high | 108 Ų | 108 | 27.1 Ų | 27.1 | 58% | 0.578 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -62.4 | -30.4 | 178.6 | -69.4 | -24.5 | 0 | 0 | 0 | 112.1 | P91 G97 | P91-N95 VanDerWaalsContact O-CB 3.29Å; P91-N95 WeakPolarHBondContact O-CB 3.42Å; P91-N95 PolarHBondContact O-N 3.26Å; P91-N95 PolarHBondContact O-ND2 2.92Å; P91-N95 VanDerWaalsContact O-ND2 3.15Å; N95-G97 PolarHBondContact O-N 3.26Å |
| 96 | G | 97.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y92 E93 Y94 P189 N191 | Y92-G96 PolarHBondContact O-N 2.87Å; E93-G96 PolarHBondContact O-N 2.8Å; Y94-G96 PolarHBondContact O-N 3.43Å; G96-P189 WeakPolarHBondContact O-CG 3.31Å; G96-N191 VanDerWaalsContact O-CB 3.28Å; G96-N191 WeakPolarHBondContact O-CB 3.28Å; G96-N191 PolarHBondContact O-ND2 3.44Å |
| 97 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | 147.5 | 127.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R89 E93 Y94 N95 Y176 P189 N191 | R89-G97 PolarHBondContact NH1-O 2.87Å; R89-G97 PolarHBondContact NH2-O 2.8Å; E93-G97 PolarHBondContact O-N 3.35Å; Y94-G97 CarbonylContact O-C 3.18Å; Y94-G97 VanDerWaalsContact O-C 3.28Å; Y94-G97 PolarHBondContact O-N 3.33Å; N95-G97 PolarHBondContact O-N 3.26Å; G97-Y176 VanDerWaalsContact C-CZ 3.47Å; G97-Y176 VanDerWaalsContact O-CE1 3.29Å; G97-Y176 WeakPolarHBondContact O-CE1 3.49Å; G97-Y176 PolarHBondContact O-OH 3.03Å; G97-P189 WeakPolarHBondContact CA-O 3.24Å; G97-N191 WeakPolarHBondContact CA-O 3.46Å | ||
| 98 | H | 98.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.2 | 178.8 | 53.1 | -86.2 | 0 | 0 | 0 | 111.2 | Y94 R100 Y176 C187 S188 | Y94-H98 AromaticContact CD1-ND1 3.87Å; Y94-H98 HydrophobicContact CD2-CB 3.39Å; Y94-H98 AromaticContact CD2-CG 3.51Å; Y94-H98 AromaticContact CD2-ND1 3.78Å; Y94-H98 AromaticContact CE1-CE1 3.65Å; Y94-H98 AromaticContact CE1-ND1 3.69Å; Y94-H98 HydrophobicContact CE2-CB 3.56Å; Y94-H98 AromaticContact CE2-CD2 3.42Å; Y94-H98 VanDerWaalsContact CE2-CD2 3.42Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.46Å; Y94-H98 AromaticContact CE2-CG 3.25Å; Y94-H98 AromaticContact CE2-ND1 3.64Å; Y94-H98 AromaticContact CE2-NE2 3.93Å; Y94-H98 HydrophobicContact CG-CB 4.14Å; Y94-H98 AromaticContact CG-ND1 3.91Å; Y94-H98 AromaticContact CZ-CD2 3.54Å; Y94-H98 AromaticContact CZ-CE1 3.53Å; Y94-H98 AromaticContact CZ-CG 3.61Å; Y94-H98 AromaticContact CZ-ND1 3.58Å; Y94-H98 AromaticContact CZ-NE2 3.52Å; Y94-H98 PolarHBondContact O-ND1 3.29Å; Y94-H98 PolarHBondContact OH-NE2 2.98Å; H98-R100 PolarHBondContact O-N 3.14Å; H98-Y176 VanDerWaalsContact C-CE2 3.43Å; H98-Y176 VanDerWaalsContact CA-CE2 3.45Å; H98-Y176 PolarHBondContact N-OH 2.87Å; H98-C187 CarbonylContact O-C 3.58Å; H98-C187 WeakPolarHBondContact O-CA 3.24Å; H98-C187 WeakPolarHBondContact O-CB 3.4Å; H98-S188 PolarHBondContact CE1-O 3.37Å; H98-S188 PolarHBondContact N-O 2.89Å; H98-S188 PolarHBondContact ND1-O 2.98Å; H98-S188 PolarHBondContact NE2-O 2.87Å; H98-S188 PolarHBondContact O-N 2.92Å |
| 99 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 132.7 | 172 | -52.9 | -177.2 | 0 | 0 | 0 | 107.6 | L68 I72 I85 T101 A102 Y134 L172 Y176 F179 | L68-I99 HydrophobicContact CD2-CD1 3.72Å; I72-I99 HydrophobicContact CD1-CG2 4.11Å; I85-I99 HydrophobicContact CD1-CG2 4.25Å; I99-T101 PolarHBondContact O-N 3.02Å; I99-A102 HydrophobicContact CB-CB 4.39Å; I99-A102 WeakPolarHBondContact O-CB 3.32Å; I99-A102 PolarHBondContact O-N 3.07Å; I99-A102 VanDerWaalsContact O-N 3.08Å; I99-Y134 HydrophobicContact CD1-CD1 4.38Å; I99-Y134 HydrophobicContact CD1-CE1 4.05Å; I99-Y134 HydrophobicContact CD1-CE2 4.4Å; I99-Y134 HydrophobicContact CG1-CE1 4.35Å; I99-Y134 HydrophobicContact CG1-CE2 4.42Å; I99-Y134 PolarHBondContact N-OH 3.47Å; I99-L172 HydrophobicContact CD1-CD2 3.65Å; I99-Y176 HydrophobicContact CG1-CD2 3.8Å; I99-Y176 HydrophobicContact CG1-CE2 3.96Å; I99-F179 HydrophobicContact CB-CE1 4.29Å; I99-F179 HydrophobicContact CD1-CB 4.34Å; I99-F179 HydrophobicContact CD1-CD1 3.7Å; I99-F179 HydrophobicContact CD1-CD2 4.01Å; I99-F179 HydrophobicContact CD1-CE1 3.95Å; I99-F179 HydrophobicContact CD1-CE2 4.24Å; I99-F179 HydrophobicContact CD1-CG 3.73Å; I99-F179 HydrophobicContact CD1-CZ 4.21Å; I99-F179 HydrophobicContact CG1-CD1 3.62Å; I99-F179 HydrophobicContact CG1-CE1 3.73Å; I99-F179 HydrophobicContact CG1-CG 4.18Å; I99-F179 HydrophobicContact CG1-CZ 4.38Å; I99-F179 HydrophobicContact CG2-CE1 3.86Å; I99-F179 HydrophobicContact CG2-CZ 3.92Å |
| 100 | R | 97.3 | Very high | 97.4 | Very high | 138 Ų | 138 | 38 Ų | 38 | 52% | 0.521 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 143.6 | 176.9 | -73.8 | 169.3 | -173 | -171.8 | 0.9 | 110.2 | H98 A102 N185 M186 | H98-R100 PolarHBondContact O-N 3.14Å; R100-A102 PolarHBondContact O-N 3.31Å; R100-A102 VanDerWaalsContact O-N 3.11Å; R100-N185 PolarHBondContact NH2-O 3.49Å; R100-M186 WeakPolarHBondContact CB-O 3.36Å; R100-M186 VanDerWaalsContact CG-O 3.22Å; R100-M186 WeakPolarHBondContact CG-O 3.12Å; R100-M186 PolarHBondContact N-O 3.42Å |
| 101 | T | 94.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 2.6 | -177.4 | 78 | 0 | 0 | 0 | 0 | 116.4 | I99 | I99-T101 PolarHBondContact O-N 3.02Š|
| 102 | A | 98 | Very high | 97 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | trans | -68.1 | 149.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I85 Y94 I99 R100 Y134 | I85-A102 HydrophobicContact CB-CB 4.11Å; I85-A102 HydrophobicContact CG2-CB 4.06Å; I85-A102 CarbonylContact O-C 3.3Å; I85-A102 VanDerWaalsContact O-CA 3.31Å; I85-A102 WeakPolarHBondContact O-CA 3.44Å; Y94-A102 HydrophobicContact CE2-CB 4.47Å; Y94-A102 PolarHBondContact OH-O 3.11Å; I99-A102 HydrophobicContact CB-CB 4.39Å; I99-A102 WeakPolarHBondContact O-CB 3.32Å; I99-A102 PolarHBondContact O-N 3.07Å; I99-A102 VanDerWaalsContact O-N 3.08Å; R100-A102 PolarHBondContact O-N 3.31Å; R100-A102 VanDerWaalsContact O-N 3.11Å; A102-Y134 HydrophobicContact CB-CE1 3.97Å; A102-Y134 WeakPolarHBondContact CB-OH 3.28Å | ||
| 103 | V | 97.5 | Very high | 96.8 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.3 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | L84 I85 D87 V114 | L84-V103 HydrophobicContact CD1-CB 4.42Å; L84-V103 HydrophobicContact CD1-CG2 3.83Å; I85-V103 PolarHBondContact O-N 3.08Å; D87-V103 PolarHBondContact N-O 3.47Å; V103-V114 HydrophobicContact CG1-CG2 3.94Å |
| 104 | N | 98.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.3 | 174.4 | -171.9 | -128.3 | 0 | 0 | 0 | 110.9 | D87 R89 Y94 | D87-N104 WeakPolarHBondContact O-CA 3.29Å; D87-N104 PolarHBondContact O-ND2 2.93Å; R89-N104 PolarHBondContact O-ND2 3.31Å; Y94-N104 HydrophobicContact CD1-CB 3.86Å; Y94-N104 HydrophobicContact CD2-CB 3.67Å; Y94-N104 HydrophobicContact CE1-CB 4.14Å; Y94-N104 HydrophobicContact CE2-CB 3.93Å; Y94-N104 HydrophobicContact CG-CB 3.63Å |
| 105 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -122.8 | 100.3 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | I86 D87 D110 F111 V114 M145 | I86-V105 HydrophobicContact CD1-CG2 4.07Å; I86-V105 HydrophobicContact CG2-CB 3.85Å; I86-V105 HydrophobicContact CG2-CG2 3.78Å; D87-V105 PolarHBondContact O-N 3.41Å; V105-D110 HydrophobicContact CG1-CB 4.16Å; V105-F111 HydrophobicContact CG1-CB 3.86Å; V105-F111 HydrophobicContact CG1-CD2 4.36Å; V105-V114 HydrophobicContact CG2-CB 4.29Å; V105-V114 HydrophobicContact CG2-CG1 4.35Å; V105-V114 HydrophobicContact CG2-CG2 4.02Å; V105-M145 HydrophobicContact CG1-CE 3.99Å; V105-M145 HydrophobicContact CG1-SD 4.19Å | ||
| 106 | H | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | trans | -102.6 | -49.9 | -174.1 | 175 | 50.6 | 0 | 0 | 0 | 112.5 | Y90 P91 D110 C206 E209 R210 | Y90-H106 AromaticContact CD1-CE1 3.28Å; Y90-H106 WeakPolarHBondContact CD1-CE1 3.3Å; Y90-H106 AromaticContact CD1-ND1 3.51Å; Y90-H106 AromaticContact CE1-CE1 3.64Å; P91-H106 HydrophobicContact CG-CB 4.09Å; H106-D110 PolarHBondContact N-OD2 3.23Å; H106-D110 VanDerWaalsContact N-OD2 3.12Å; H106-C206 PolarHBondContact CE1-O 3.4Å; H106-C206 PolarHBondContact NE2-O 3.18Å; H106-E209 IonicContact CD2-OE2 3.1Å; H106-E209 IonicContact NE2-OE2 2.77Å; H106-R210 VanDerWaalsContact ND1-CZ 3.32Å; H106-R210 PolarHBondContact ND1-NE 2.65Å; H106-R210 PolarHBondContact ND1-NH2 2.94Å; H106-R210 PolarHBondContact O-NE 3.1Å | ||
| 107 | T | 96.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -106.6 | 169.8 | -172.3 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | Q109 D110 F111 E209 S213 | T107-Q109 PolarHBondContact O-N 2.75Å; T107-Q109 PolarHBondContact OG1-N 3.33Å; T107-D110 PolarHBondContact N-OD2 3.31Å; T107-D110 PolarHBondContact O-N 3.37Å; T107-D110 PolarHBondContact OG1-N 3.19Å; T107-D110 PolarHBondContact OG1-OD1 3.22Å; T107-D110 PolarHBondContact OG1-OD2 3.47Å; T107-F111 WeakPolarHBondContact O-CB 3.24Å; T107-F111 PolarHBondContact O-N 3.38Å; T107-E209 HydrophobicContact CG2-CG 4.34Å; T107-S213 WeakPolarHBondContact CA-OG 3.47Å |
| 108 | A | 95.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.9 | -30.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F111 N112 S213 F214 | A108-F111 PolarHBondContact O-N 3.38Å; A108-N112 VanDerWaalsContact O-CG 3.26Å; A108-N112 PolarHBondContact O-N 2.8Å; A108-N112 PolarHBondContact O-ND2 2.86Å; A108-N112 VanDerWaalsContact O-ND2 3.09Å; A108-S213 WeakPolarHBondContact CB-O 3.03Å; A108-S213 PolarHBondContact N-OG 2.83Å; A108-F214 VanDerWaalsContact CA-CE1 3.41Å; A108-F214 HydrophobicContact CB-CD1 3.53Å; A108-F214 HydrophobicContact CB-CE1 3.64Å; A108-F214 HydrophobicContact CB-CG 4.08Å; A108-F214 HydrophobicContact CB-CZ 4.26Å |
| 109 | Q | 94.7 | Very high | 91.5 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 72% | 0.724 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.1 | -49 | 175.6 | -178.9 | 177 | -11.8 | 0 | 0 | 110.2 | T107 F111 N112 H113 | T107-Q109 PolarHBondContact O-N 2.75Å; T107-Q109 PolarHBondContact OG1-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.32Å; Q109-N112 PolarHBondContact O-N 3.47Å; Q109-H113 VanDerWaalsContact O-CB 3.22Å; Q109-H113 WeakPolarHBondContact O-CB 3.5Å; Q109-H113 PolarHBondContact O-N 3.32Å |
| 110 | D | 95.5 | Very high | 89.3 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 176.1 | -52.1 | -37 | 0 | 0 | 0 | 110.8 | V105 H106 T107 H113 V114 | V105-D110 HydrophobicContact CG1-CB 4.16Å; H106-D110 PolarHBondContact N-OD2 3.23Å; H106-D110 VanDerWaalsContact N-OD2 3.12Å; T107-D110 PolarHBondContact N-OD2 3.31Å; T107-D110 PolarHBondContact O-N 3.37Å; T107-D110 PolarHBondContact OG1-N 3.19Å; T107-D110 PolarHBondContact OG1-OD1 3.22Å; T107-D110 PolarHBondContact OG1-OD2 3.47Å; D110-H113 PolarHBondContact O-N 3.02Å; D110-V114 WeakPolarHBondContact O-CB 3.27Å; D110-V114 VanDerWaalsContact O-CG2 3.26Å; D110-V114 WeakPolarHBondContact O-CG2 3.05Å; D110-V114 PolarHBondContact O-N 2.84Å |
| 111 | F | 95.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 179.8 | 177.1 | -89.5 | 0 | 0 | 0 | 112.1 | V105 T107 A108 Q109 H113 F115 F116 M145 R148 L149 A152 F214 | V105-F111 HydrophobicContact CG1-CB 3.86Å; V105-F111 HydrophobicContact CG1-CD2 4.36Å; T107-F111 WeakPolarHBondContact O-CB 3.24Å; T107-F111 PolarHBondContact O-N 3.38Å; A108-F111 PolarHBondContact O-N 3.38Å; Q109-F111 PolarHBondContact O-N 3.32Å; F111-H113 VanDerWaalsContact C-N 3.33Å; F111-H113 PolarHBondContact O-N 2.88Å; F111-F115 HydrophobicContact CD1-CD2 4.5Å; F111-F115 AromaticContact CD2-CD2 3.6Å; F111-F115 HydrophobicContact CD2-CD2 3.6Å; F111-F115 AromaticContact CD2-CE2 3.61Å; F111-F115 HydrophobicContact CD2-CE2 3.61Å; F111-F115 AromaticContact CE2-CD2 3.77Å; F111-F115 HydrophobicContact CE2-CD2 3.77Å; F111-F115 AromaticContact CE2-CE2 3.87Å; F111-F115 HydrophobicContact CE2-CE2 3.87Å; F111-F115 HydrophobicContact CG-CD2 4.01Å; F111-F115 HydrophobicContact CG-CE2 4.36Å; F111-F115 HydrophobicContact CZ-CD2 4.31Å; F111-F115 WeakPolarHBondContact O-CD2 3.44Å; F111-F115 PolarHBondContact O-N 3.11Å; F111-F116 HydrophobicContact CD1-CE2 4.38Å; F111-F116 HydrophobicContact CE1-CD2 4.47Å; F111-F116 AromaticContact CE1-CE2 3.72Å; F111-F116 HydrophobicContact CE1-CE2 3.72Å; F111-F116 HydrophobicContact CZ-CE2 4.35Å; F111-M145 HydrophobicContact CD2-CG 4.36Å; F111-M145 HydrophobicContact CD2-SD 3.46Å; F111-M145 WeakPolarHBondContact CD2-SD 3.26Å; F111-M145 HydrophobicContact CE2-SD 3.93Å; F111-M145 HydrophobicContact CG-SD 4.43Å; F111-R148 HydrophobicContact CE1-CG 4.4Å; F111-R148 HydrophobicContact CE2-CB 4.35Å; F111-R148 HydrophobicContact CE2-CG 4.06Å; F111-R148 HydrophobicContact CZ-CB 4.43Å; F111-R148 HydrophobicContact CZ-CG 3.84Å; F111-L149 HydrophobicContact CE2-CB 3.95Å; F111-L149 HydrophobicContact CE2-CD1 4.26Å; F111-L149 HydrophobicContact CZ-CB 4.13Å; F111-L149 HydrophobicContact CZ-CD1 3.99Å; F111-A152 HydrophobicContact CE1-CB 4.25Å; F111-A152 HydrophobicContact CZ-CB 4.24Å; F111-F214 HydrophobicContact CB-CE1 4.15Å; F111-F214 HydrophobicContact CB-CZ 4.18Å; F111-F214 HydrophobicContact CG-CE1 4.25Å |
| 112 | N | 93.6 | Very high | 85.5 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 178.2 | -62.2 | -37.2 | 0 | 0 | 0 | 110.9 | A108 Q109 V114 F116 D117 K217 | A108-N112 VanDerWaalsContact O-CG 3.26Å; A108-N112 PolarHBondContact O-N 2.8Å; A108-N112 PolarHBondContact O-ND2 2.86Å; A108-N112 VanDerWaalsContact O-ND2 3.09Å; Q109-N112 PolarHBondContact O-N 3.47Å; N112-V114 PolarHBondContact O-N 3.28Å; N112-F116 CarbonylContact O-C 3.57Å; N112-F116 WeakPolarHBondContact O-CA 3.42Å; N112-F116 WeakPolarHBondContact O-CB 3.42Å; N112-F116 PolarHBondContact O-N 2.75Å; N112-D117 PolarHBondContact O-N 3.26Å; N112-K217 PolarHBondContact OD1-NZ 3.28Å |
| 113 | H | 92.9 | Very high | 83.7 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -59.6 | -47.6 | 179.1 | 178.6 | 75 | 0 | 0 | 0 | 111.9 | Q109 D110 F111 D117 T118 K120 | Q109-H113 VanDerWaalsContact O-CB 3.22Å; Q109-H113 WeakPolarHBondContact O-CB 3.5Å; Q109-H113 PolarHBondContact O-N 3.32Å; D110-H113 PolarHBondContact O-N 3.02Å; F111-H113 VanDerWaalsContact C-N 3.33Å; F111-H113 PolarHBondContact O-N 2.88Å; H113-D117 WeakPolarHBondContact CA-OD2 3.4Å; H113-T118 WeakPolarHBondContact CE1-CG2 3.23Å; H113-T118 WeakPolarHBondContact O-CB 3.17Å; H113-T118 PolarHBondContact O-N 3.21Å; H113-T118 PolarHBondContact O-OG1 3.25Å; H113-K120 PolarHBondContact NE2-NZ 3.06Å |
| 114 | V | 93.2 | Very high | 82 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -71.9 | -40.1 | -177.2 | 171.3 | 0 | 0 | 0 | 0 | 112.5 | L84 I86 V103 V105 D110 N112 | L84-V114 HydrophobicContact CD2-CG1 3.88Å; I86-V114 HydrophobicContact CD1-CG1 4.12Å; V103-V114 HydrophobicContact CG1-CG2 3.94Å; V105-V114 HydrophobicContact CG2-CB 4.29Å; V105-V114 HydrophobicContact CG2-CG1 4.35Å; V105-V114 HydrophobicContact CG2-CG2 4.02Å; D110-V114 WeakPolarHBondContact O-CB 3.27Å; D110-V114 VanDerWaalsContact O-CG2 3.26Å; D110-V114 WeakPolarHBondContact O-CG2 3.05Å; D110-V114 PolarHBondContact O-N 2.84Å; N112-V114 PolarHBondContact O-N 3.28Å |
| 115 | F | 92.8 | Very high | 79.9 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -103 | -17.4 | -171.1 | -60.1 | -60.8 | 0 | 0 | 0 | 115.3 | L84 I86 F111 I131 F133 L149 Y166 | L84-F115 HydrophobicContact CD2-CE1 4.15Å; I86-F115 HydrophobicContact CD1-CE1 3.99Å; I86-F115 HydrophobicContact CD1-CZ 3.67Å; I86-F115 HydrophobicContact CG1-CE1 4.29Å; I86-F115 HydrophobicContact CG1-CZ 3.86Å; F111-F115 HydrophobicContact CD1-CD2 4.5Å; F111-F115 AromaticContact CD2-CD2 3.6Å; F111-F115 HydrophobicContact CD2-CD2 3.6Å; F111-F115 AromaticContact CD2-CE2 3.61Å; F111-F115 HydrophobicContact CD2-CE2 3.61Å; F111-F115 AromaticContact CE2-CD2 3.77Å; F111-F115 HydrophobicContact CE2-CD2 3.77Å; F111-F115 AromaticContact CE2-CE2 3.87Å; F111-F115 HydrophobicContact CE2-CE2 3.87Å; F111-F115 HydrophobicContact CG-CD2 4.01Å; F111-F115 HydrophobicContact CG-CE2 4.36Å; F111-F115 HydrophobicContact CZ-CD2 4.31Å; F111-F115 WeakPolarHBondContact O-CD2 3.44Å; F111-F115 PolarHBondContact O-N 3.11Å; F115-I131 HydrophobicContact CD1-CD1 4.18Å; F115-I131 HydrophobicContact CE1-CD1 3.85Å; F115-I131 HydrophobicContact CE1-CG2 4.37Å; F115-F133 HydrophobicContact CZ-CE1 4.09Å; F115-F133 HydrophobicContact CZ-CZ 4.08Å; F115-L149 HydrophobicContact CB-CD1 3.83Å; F115-L149 HydrophobicContact CD1-CD1 4.1Å; F115-L149 HydrophobicContact CD1-CD2 3.68Å; F115-L149 HydrophobicContact CD2-CD1 3.88Å; F115-L149 HydrophobicContact CD2-CD2 4.27Å; F115-L149 HydrophobicContact CE1-CD2 3.6Å; F115-L149 HydrophobicContact CE2-CD1 4.49Å; F115-L149 HydrophobicContact CE2-CD2 4.2Å; F115-L149 HydrophobicContact CG-CD1 3.67Å; F115-L149 HydrophobicContact CG-CD2 4.04Å; F115-L149 HydrophobicContact CZ-CD2 3.87Å; F115-Y166 HydrophobicContact CB-CE2 4.09Å; F115-Y166 HydrophobicContact CD1-CE2 4.35Å; F115-Y166 PolarHBondContact O-OH 3.12Å |
| 116 | F | 89 | Confident | 78.2 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -132.1 | -31.2 | -172.6 | -59 | -59.5 | 0 | 0 | 0 | 114.6 | F111 N112 L149 A152 K156 Y166 | F111-F116 HydrophobicContact CD1-CE2 4.38Å; F111-F116 HydrophobicContact CE1-CD2 4.47Å; F111-F116 AromaticContact CE1-CE2 3.72Å; F111-F116 HydrophobicContact CE1-CE2 3.72Å; F111-F116 HydrophobicContact CZ-CE2 4.35Å; N112-F116 CarbonylContact O-C 3.57Å; N112-F116 WeakPolarHBondContact O-CA 3.42Å; N112-F116 WeakPolarHBondContact O-CB 3.42Å; N112-F116 PolarHBondContact O-N 2.75Å; F116-L149 HydrophobicContact CE2-CD1 4.45Å; F116-L149 HydrophobicContact CZ-CD1 4.01Å; F116-A152 HydrophobicContact CE2-CB 3.95Å; F116-A152 HydrophobicContact CZ-CB 3.74Å; F116-K156 HydrophobicContact CD1-CD 4.28Å; F116-K156 HydrophobicContact CE1-CD 4.11Å; F116-Y166 HydrophobicContact CE1-CE2 4.43Å |
| 117 | D | 84.9 | Confident | 77.2 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -89.8 | -46.5 | -178.7 | -55.2 | -24.4 | 0 | 0 | 0 | 112.1 | N112 H113 | N112-D117 PolarHBondContact O-N 3.26Å; H113-D117 WeakPolarHBondContact CA-OD2 3.4Å |
| 118 | T | 60.7 | Low | 76.8 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -93.9 | 127.5 | -179.9 | 61 | 0 | 0 | 0 | 0 | 108.8 | H113 K120 | H113-T118 WeakPolarHBondContact CE1-CG2 3.23Å; H113-T118 WeakPolarHBondContact O-CB 3.17Å; H113-T118 PolarHBondContact O-N 3.21Å; H113-T118 PolarHBondContact O-OG1 3.25Å; T118-K120 PolarHBondContact O-N 2.85Å; T118-K120 VanDerWaalsContact OG1-CD 3.23Å; T118-K120 WeakPolarHBondContact OG1-CD 3.13Å; T118-K120 VanDerWaalsContact OG1-CG 3.24Å; T118-K120 WeakPolarHBondContact OG1-CG 3.47Å |
| 119 | G | 58 | Low | 76.6 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 32.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V121 E122 | G119-V121 CarbonylContact O-C 3.55Å; G119-V121 VanDerWaalsContact O-C 3.3Å; G119-V121 PolarHBondContact O-N 3.28Å; G119-E122 PolarHBondContact O-N 2.73Å |
| 120 | K | 53.4 | Low | 76.6 | Confident | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.3 | 178.1 | -86.6 | 179.1 | -172.3 | 169.9 | 0 | 111.8 | H113 T118 E122 | H113-K120 PolarHBondContact NE2-NZ 3.06Å; T118-K120 PolarHBondContact O-N 2.85Å; T118-K120 VanDerWaalsContact OG1-CD 3.23Å; T118-K120 WeakPolarHBondContact OG1-CD 3.13Å; T118-K120 VanDerWaalsContact OG1-CG 3.24Å; T118-K120 WeakPolarHBondContact OG1-CG 3.47Å; K120-E122 VanDerWaalsContact C-N 3.3Å; K120-E122 PolarHBondContact O-N 2.91Å |
| 121 | V | 56.1 | Low | 76.6 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -82.2 | 89 | 161.8 | -172.1 | 0 | 0 | 0 | 0 | 107.1 | L84 G119 H123 N129 Y166 | L84-V121 HydrophobicContact CD2-CG2 4.2Å; G119-V121 CarbonylContact O-C 3.55Å; G119-V121 VanDerWaalsContact O-C 3.3Å; G119-V121 PolarHBondContact O-N 3.28Å; V121-H123 VanDerWaalsContact C-N 3.34Å; V121-H123 PolarHBondContact O-CD2 3.42Å; V121-H123 PolarHBondContact O-N 2.68Å; V121-N129 HydrophobicContact CG1-CB 4.09Å; V121-Y166 HydrophobicContact CB-CE1 3.96Å; V121-Y166 HydrophobicContact CG1-CE1 3.98Å; V121-Y166 HydrophobicContact CG2-CE1 3.67Å |
| 122 | E | 54.1 | Low | 76.8 | Confident | 143 Ų | 143 | 62.6 Ų | 62.6 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | trans | -64.1 | 101.9 | 166.8 | -71.8 | -167.6 | 173.5 | 0 | 0 | 107.2 | G119 K120 I124 N129 | G119-E122 PolarHBondContact O-N 2.73Å; K120-E122 VanDerWaalsContact C-N 3.3Å; K120-E122 PolarHBondContact O-N 2.91Å; E122-I124 PolarHBondContact O-N 3.07Å; E122-N129 PolarHBondContact O-OD1 3.26Å | ||
| 123 | H | 60 | Low | 77 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 41% | 0.407 | 31% | 0.312 | S | S | . | . | trans | -69.6 | 85.4 | 167.1 | -67.4 | -82.9 | 0 | 0 | 0 | 107.3 | V121 K125 Q165 | V121-H123 VanDerWaalsContact C-N 3.34Å; V121-H123 PolarHBondContact O-CD2 3.42Å; V121-H123 PolarHBondContact O-N 2.68Å; H123-K125 PolarHBondContact O-N 2.96Å; H123-Q165 PolarHBondContact CE1-O 3.38Å; H123-Q165 WeakPolarHBondContact NE2-CG 3.19Å; H123-Q165 PolarHBondContact NE2-NE2 3.01Å | ||
| 124 | I | 61.7 | Low | 77.3 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 41% | 0.41 | 30% | 0.295 | S | S | . | . | trans | -55.9 | 116.3 | 168.2 | -65 | 171.4 | 0 | 0 | 0 | 105.3 | A81 E122 N126 G127 | A81-I124 HydrophobicContact CB-CB 4.18Å; A81-I124 HydrophobicContact CB-CD1 3.87Å; A81-I124 HydrophobicContact CB-CG2 4.43Å; E122-I124 PolarHBondContact O-N 3.07Å; I124-N126 PolarHBondContact O-N 2.86Å; I124-G127 PolarHBondContact O-N 2.77Å | ||
| 125 | K | 55.2 | Low | 77.5 | Confident | 195 Ų | 195 | 56.7 Ų | 56.7 | 85% | 0.848 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 111.7 | 179.8 | -69.6 | -178.1 | 179.3 | 179.6 | 0 | 107 | H123 | H123-K125 PolarHBondContact O-N 2.96Š|
| 126 | N | 62.7 | Low | 77.8 | Confident | 174 Ų | 174 | 57 Ų | 57 | 93% | 0.93 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 4.3 | -176.6 | -45.2 | -23.6 | 0 | 0 | 0 | 116.8 | I124 | I124-N126 PolarHBondContact O-N 2.86Š|
| 127 | G | 74.2 | Confident | 78.2 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | trans | -102.9 | 138.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I124 N129 | I124-G127 PolarHBondContact O-N 2.77Å; G127-N129 PolarHBondContact O-ND2 2.8Å; G127-N129 VanDerWaalsContact O-ND2 3.13Å | ||
| 128 | R | 89 | Confident | 78.8 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.4 | 171.7 | -173.6 | -178.8 | -78.6 | -134.2 | 14.9 | 109.7 | D45 S46 A48 S79 A81 S82 I130 E168 | D45-R128 IonicContact OD1-NH2 2.73Å; D45-R128 PolarHBondContact OD1-NH2 2.68Å; D45-R128 IonicContact OD2-CZ 2.69Å; D45-R128 IonicContact OD2-NH2 3.5Å; D45-R128 PolarHBondContact OD2-NH2 3.39Å; S46-R128 PolarHBondContact O-NH1 3.07Å; S46-R128 PolarHBondContact O-NH2 3.38Å; A48-R128 VanDerWaalsContact CB-CD 3.43Å; S79-R128 VanDerWaalsContact O-CB 3.23Å; S79-R128 WeakPolarHBondContact O-CB 3.14Å; A81-R128 PolarHBondContact N-O 3Å; S82-R128 PolarHBondContact N-O 3.35Å; R128-I130 HydrophobicContact CG-CG2 4.14Å; R128-E168 WeakPolarHBondContact CD-OE2 3.29Å; R128-E168 WeakPolarHBondContact CG-OE2 3.44Å; R128-E168 IonicContact CZ-OE2 3.02Å; R128-E168 IonicContact NE-OE2 2.88Å; R128-E168 IonicContact NH1-OE1 3.08Å; R128-E168 IonicContact NH1-OE2 3.42Å; R128-E168 PolarHBondContact NH1-OE2 3.49Å |
| 129 | N | 90.5 | Very high | 80.6 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.1 | 179.5 | -50.5 | -66.8 | 0 | 0 | 0 | 108.7 | S82 V121 E122 G127 | S82-N129 WeakPolarHBondContact O-CA 3.28Å; S82-N129 PolarHBondContact OG-OD1 2.99Å; V121-N129 HydrophobicContact CG1-CB 4.09Å; E122-N129 PolarHBondContact O-OD1 3.26Å; G127-N129 PolarHBondContact O-ND2 2.8Å; G127-N129 VanDerWaalsContact O-ND2 3.13Å |
| 130 | I | 95.1 | Very high | 82.4 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 150.1 | -175.1 | 67 | 163 | 0 | 0 | 0 | 112 | L49 L71 I80 S82 F83 L84 R128 I132 E168 Y170 | L49-I130 HydrophobicContact CD1-CD1 3.48Å; L49-I130 VanDerWaalsContact CD1-CD1 3.48Å; L49-I130 HydrophobicContact CG-CD1 4.16Å; L71-I130 HydrophobicContact CD1-CD1 4.25Å; L71-I130 HydrophobicContact CD2-CD1 3.77Å; I80-I130 HydrophobicContact CD1-CD1 3.77Å; I80-I130 HydrophobicContact CG2-CD1 4.35Å; I80-I130 HydrophobicContact CG2-CG1 4.07Å; S82-I130 PolarHBondContact O-N 3.25Å; S82-I130 VanDerWaalsContact O-N 3.1Å; F83-I130 CarbonylContact C-O 3.51Å; F83-I130 VanDerWaalsContact CA-O 3.29Å; F83-I130 WeakPolarHBondContact CA-O 3.21Å; F83-I130 HydrophobicContact CB-CD1 4.07Å; F83-I130 HydrophobicContact CB-CG1 3.49Å; F83-I130 VanDerWaalsContact CB-CG1 3.49Å; L84-I130 PolarHBondContact N-O 3.19Å; R128-I130 HydrophobicContact CG-CG2 4.14Å; I130-I132 HydrophobicContact CD1-CD1 4Å; I130-I132 HydrophobicContact CD1-CG1 4.41Å; I130-E168 HydrophobicContact CG2-CB 4.14Å; I130-E168 HydrophobicContact CG2-CG 3.75Å; I130-Y170 HydrophobicContact CB-CE2 4.35Å; I130-Y170 HydrophobicContact CD1-CD2 4.4Å; I130-Y170 HydrophobicContact CD1-CE2 4.23Å; I130-Y170 HydrophobicContact CG2-CE2 4.34Å |
| 131 | I | 97.1 | Very high | 84.5 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.1 | 175.5 | -55.6 | 175.8 | 0 | 0 | 0 | 109.8 | L84 I86 F115 F133 L149 Y166 E168 M169 Y170 | L84-I131 WeakPolarHBondContact O-CA 3.18Å; I86-I131 HydrophobicContact CG1-CG2 3.71Å; F115-I131 HydrophobicContact CD1-CD1 4.18Å; F115-I131 HydrophobicContact CE1-CD1 3.85Å; F115-I131 HydrophobicContact CE1-CG2 4.37Å; I131-F133 HydrophobicContact CB-CE2 4.16Å; I131-F133 HydrophobicContact CG2-CD2 3.95Å; I131-F133 HydrophobicContact CG2-CE1 4.37Å; I131-F133 HydrophobicContact CG2-CE2 3.37Å; I131-F133 HydrophobicContact CG2-CZ 3.63Å; I131-L149 HydrophobicContact CD1-CD2 3.47Å; I131-L149 VanDerWaalsContact CD1-CD2 3.47Å; I131-Y166 HydrophobicContact CD1-CD1 3.42Å; I131-Y166 VanDerWaalsContact CD1-CD1 3.42Å; I131-Y166 HydrophobicContact CD1-CD2 4.33Å; I131-Y166 HydrophobicContact CD1-CE1 3.98Å; I131-Y166 HydrophobicContact CD1-CG 3.6Å; I131-Y166 HydrophobicContact CG1-CD1 4.37Å; I131-E168 PolarHBondContact N-O 3Å; I131-M169 HydrophobicContact CB-CG 4.09Å; I131-M169 HydrophobicContact CD1-SD 4.38Å; I131-M169 CarbonylContact O-C 3.44Å; I131-M169 WeakPolarHBondContact O-CA 3.48Å; I131-Y170 PolarHBondContact O-N 2.9Å |
| 132 | I | 98.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.6 | 179.5 | -63.6 | 160.3 | 0 | 0 | 0 | 108.5 | I63 L68 L71 L84 I85 I86 I130 Y170 L172 | I63-I132 HydrophobicContact CD1-CD1 3.8Å; I63-I132 HydrophobicContact CD1-CG1 4.02Å; I63-I132 HydrophobicContact CD1-CG2 3.94Å; L68-I132 HydrophobicContact CD1-CD1 3.85Å; L71-I132 HydrophobicContact CD2-CD1 3.28Å; L84-I132 PolarHBondContact O-N 2.84Å; I85-I132 CarbonylContact C-O 3.58Å; I85-I132 WeakPolarHBondContact CA-O 3.29Å; I86-I132 PolarHBondContact N-O 2.88Å; I130-I132 HydrophobicContact CD1-CD1 4Å; I130-I132 HydrophobicContact CD1-CG1 4.41Å; I132-Y170 WeakPolarHBondContact CA-O 3.43Å; I132-Y170 HydrophobicContact CG1-CD2 4.43Å; I132-L172 HydrophobicContact CG2-CB 4.28Å |
| 133 | F | 98.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 144.7 | 176.7 | -67.2 | -89 | 0 | 0 | 0 | 111.1 | I86 F115 I131 M145 F146 L149 M169 Y170 L171 L172 | I86-F133 HydrophobicContact CB-CD1 3.77Å; I86-F133 HydrophobicContact CB-CE1 4Å; I86-F133 HydrophobicContact CB-CG 4.45Å; I86-F133 HydrophobicContact CG1-CD1 4.32Å; I86-F133 HydrophobicContact CG1-CE1 4.12Å; I86-F133 HydrophobicContact CG2-CD1 3.72Å; I86-F133 HydrophobicContact CG2-CE1 3.82Å; F115-F133 HydrophobicContact CZ-CE1 4.09Å; F115-F133 HydrophobicContact CZ-CZ 4.08Å; I131-F133 HydrophobicContact CB-CE2 4.16Å; I131-F133 HydrophobicContact CG2-CD2 3.95Å; I131-F133 HydrophobicContact CG2-CE1 4.37Å; I131-F133 HydrophobicContact CG2-CE2 3.37Å; I131-F133 HydrophobicContact CG2-CZ 3.63Å; F133-M145 HydrophobicContact CD1-CB 4.02Å; F133-M145 HydrophobicContact CD1-CG 4.02Å; F133-M145 HydrophobicContact CE1-CB 4.1Å; F133-M145 HydrophobicContact CE1-CG 3.68Å; F133-F146 HydrophobicContact CD2-CB 3.99Å; F133-F146 AromaticContact CD2-CD2 3.68Å; F133-F146 HydrophobicContact CD2-CD2 3.68Å; F133-F146 HydrophobicContact CD2-CG 4.18Å; F133-F146 HydrophobicContact CE2-CB 4.32Å; F133-F146 HydrophobicContact CE2-CD2 4.19Å; F133-F146 HydrophobicContact CE2-CG 4.44Å; F133-F146 HydrophobicContact CG-CB 4.25Å; F133-L149 HydrophobicContact CE2-CD2 4.32Å; F133-L149 HydrophobicContact CZ-CB 4.11Å; F133-L149 HydrophobicContact CZ-CD2 3.72Å; F133-M169 HydrophobicContact CE2-CB 4.43Å; F133-M169 HydrophobicContact CE2-SD 3.72Å; F133-M169 HydrophobicContact CZ-SD 4.35Å; F133-Y170 PolarHBondContact N-O 2.73Å; F133-L171 HydrophobicContact CB-CD1 4.2Å; F133-L171 CarbonylContact O-C 3.59Å; F133-L171 WeakPolarHBondContact O-CA 3.19Å; F133-L172 PolarHBondContact O-N 2.94Å |
| 134 | Y | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163.5 | 166.2 | 73.3 | -85.8 | 0 | 0 | 0 | 111.8 | I85 I86 D87 C88 I99 A102 S138 L172 Y176 | I85-Y134 HydrophobicContact CG2-CD1 3.78Å; I85-Y134 HydrophobicContact CG2-CE1 3.53Å; I86-Y134 VanDerWaalsContact O-CD1 3.28Å; I86-Y134 WeakPolarHBondContact O-CD1 3.45Å; I86-Y134 PolarHBondContact O-N 2.62Å; D87-Y134 HydrophobicContact CB-CE1 3.75Å; D87-Y134 HydrophobicContact CB-CE2 3.94Å; D87-Y134 VanDerWaalsContact CB-CZ 3.43Å; D87-Y134 WeakPolarHBondContact CB-OH 3.47Å; D87-Y134 VanDerWaalsContact CG-CZ 3.41Å; D87-Y134 WeakPolarHBondContact OD2-CE2 3.38Å; D87-Y134 PolarHBondContact OD2-OH 2.94Å; D87-Y134 VanDerWaalsContact OD2-OH 3.07Å; C88-Y134 VanDerWaalsContact CB-O 3.32Å; C88-Y134 WeakPolarHBondContact CB-O 3.43Å; C88-Y134 PolarHBondContact N-O 2.8Å; I99-Y134 HydrophobicContact CD1-CD1 4.38Å; I99-Y134 HydrophobicContact CD1-CE1 4.05Å; I99-Y134 HydrophobicContact CD1-CE2 4.4Å; I99-Y134 HydrophobicContact CG1-CE1 4.35Å; I99-Y134 HydrophobicContact CG1-CE2 4.42Å; I99-Y134 PolarHBondContact N-OH 3.47Å; A102-Y134 HydrophobicContact CB-CE1 3.97Å; A102-Y134 WeakPolarHBondContact CB-OH 3.28Å; Y134-S138 WeakPolarHBondContact CA-OG 3.37Å; Y134-L172 HydrophobicContact CG-CD2 4.35Å; Y134-Y176 AromaticContact CE2-CD2 3.91Å; Y134-Y176 HydrophobicContact CE2-CD2 3.91Å; Y134-Y176 HydrophobicContact CE2-CG 4.19Å |
| 135 | C | 98.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | trans | -136.1 | -152.6 | 159.3 | 67.6 | 0 | 0 | 0 | 0 | 109.1 | C88 R89 Y137 S138 R141 G175 Y176 | C88-C135 HydrophobicContact CB-CB 4.32Å; R89-C135 HydrophobicContact CG-CB 4.09Å; C135-Y137 PolarHBondContact O-N 3.05Å; C135-S138 PolarHBondContact N-OG 3.25Å; C135-S138 WeakPolarHBondContact SG-CA 3.5Å; C135-S138 PolarHBondContact SG-N 3.18Å; C135-R141 HydrophobicContact CB-CB 3.79Å; C135-G175 CarbonylContact O-C 3.28Å; C135-G175 VanDerWaalsContact O-CA 3.27Å; C135-G175 WeakPolarHBondContact O-CA 3.22Å; C135-Y176 PolarHBondContact O-N 3.1Å | ||
| 136 | E | 98.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -61.6 | -46.8 | 179.6 | -174.4 | 175.8 | -164.1 | 0 | 0 | 112.7 | R89 R141 G175 Y176 K177 Y192 E194 M195 | R89-E136 HydrophobicContact CG-CB 4.42Å; E136-R141 VanDerWaalsContact CB-NH2 3.33Å; E136-R141 IonicContact OE2-NH2 3.54Å; E136-R141 PolarHBondContact OE2-NH2 3.22Å; E136-G175 CarbonylContact O-C 3.59Å; E136-Y176 PolarHBondContact O-N 3.4Å; E136-K177 WeakPolarHBondContact O-CB 3.39Å; E136-K177 PolarHBondContact O-N 3.36Å; E136-Y192 HydrophobicContact CG-CE2 4.03Å; E136-Y192 WeakPolarHBondContact CG-OH 3.32Å; E136-Y192 PolarHBondContact OE1-OH 2.92Å; E136-E194 WeakPolarHBondContact OE1-CA 3.3Å; E136-M195 PolarHBondContact OE1-N 2.77Å; E136-M195 WeakPolarHBondContact OE2-CB 3.5Å |
| 137 | Y | 97.7 | Very high | 95.8 | Very high | 68 Ų | 68 | 28 Ų | 28 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -117.8 | -7.9 | 179.8 | -58.4 | -82.2 | 0 | 0 | 0 | 113.4 | C135 L139 K177 | C135-Y137 PolarHBondContact O-N 3.05Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.1Å; Y137-K177 HydrophobicContact CD1-CD 4Å; Y137-K177 HydrophobicContact CE1-CB 4.48Å; Y137-K177 HydrophobicContact CE1-CD 3.24Å; Y137-K177 HydrophobicContact CE1-CG 4.48Å; Y137-K177 PolarHBondContact OH-NZ 3.31Å |
| 138 | S | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 56.1 | 37.8 | -172.9 | -66.3 | 0 | 0 | 0 | 0 | 115 | Y134 C135 L171 L172 G175 | Y134-S138 WeakPolarHBondContact CA-OG 3.37Å; C135-S138 PolarHBondContact N-OG 3.25Å; C135-S138 WeakPolarHBondContact SG-CA 3.5Å; C135-S138 PolarHBondContact SG-N 3.18Å; S138-L171 WeakPolarHBondContact O-CD2 3.49Å; S138-L172 WeakPolarHBondContact CB-O 3.49Å; S138-L172 PolarHBondContact OG-O 3.47Å; S138-G175 VanDerWaalsContact OG-CA 3.23Å; S138-G175 WeakPolarHBondContact OG-CA 3.37Å |
| 139 | L | 96.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 33% | 0.33 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -105.6 | -35.6 | 178.7 | -60.1 | 179.8 | 0 | 0 | 0 | 113.7 | R56 V57 Y137 P143 | R56-L139 HydrophobicContact CB-CD2 4Å; V57-L139 HydrophobicContact CG2-CD2 4.43Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.1Å; L139-P143 WeakPolarHBondContact O-CG 3.45Å |
| 140 | E | 96.2 | Very high | 97.6 | Very high | 144 Ų | 144 | 28 Ų | 28 | 67% | 0.673 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -119.7 | -71.4 | -173.2 | -64.6 | -58.6 | 143.2 | 0 | 0 | 111.6 | G142 P143 A144 | E140-G142 PolarHBondContact O-N 2.65Å; E140-P143 WeakPolarHBondContact O-CD 3.24Å; E140-A144 VanDerWaalsContact O-CB 3.3Å; E140-A144 WeakPolarHBondContact O-CB 3.46Å; E140-A144 PolarHBondContact O-N 2.97Å |
| 141 | R | 97.5 | Very high | 97.7 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 13% | 0.132 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | -172.2 | -60.4 | 175.9 | -83.8 | 167.5 | 3.1 | 113.1 | C88 E93 C135 E136 M145 | C88-R141 HydrophobicContact CB-CB 4.33Å; E93-R141 VanDerWaalsContact CD-NH1 3.31Å; E93-R141 IonicContact OE1-CZ 3.55Å; E93-R141 IonicContact OE1-NH1 3.99Å; E93-R141 PolarHBondContact OE1-NH1 3.13Å; E93-R141 VanDerWaalsContact OE1-NH1 3.14Å; E93-R141 IonicContact OE1-NH2 3.27Å; E93-R141 PolarHBondContact OE1-NH2 3.37Å; E93-R141 IonicContact OE2-CZ 2.68Å; E93-R141 IonicContact OE2-NH1 3.01Å; E93-R141 PolarHBondContact OE2-NH1 3.15Å; E93-R141 IonicContact OE2-NH2 2.76Å; C135-R141 HydrophobicContact CB-CB 3.79Å; E136-R141 VanDerWaalsContact CB-NH2 3.33Å; E136-R141 IonicContact OE2-NH2 3.54Å; E136-R141 PolarHBondContact OE2-NH2 3.22Å; R141-M145 PolarHBondContact O-N 2.6Å; R141-M145 VanDerWaalsContact O-N 3.15Å |
| 142 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -56.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E140 A144 M145 F146 | E140-G142 PolarHBondContact O-N 2.65Å; G142-A144 VanDerWaalsContact C-N 3.3Å; G142-A144 PolarHBondContact O-N 2.96Å; G142-M145 PolarHBondContact O-N 3.43Å; G142-M145 VanDerWaalsContact O-N 3.13Å; G142-F146 PolarHBondContact O-N 3.19Å |
| 143 | P | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.2 | -40 | 174.6 | -31.6 | 39.5 | 0 | 0 | 0 | 114.2 | V57 L60 L139 E140 M145 F146 R147 L171 | V57-P143 HydrophobicContact CG1-CB 4.3Å; V57-P143 HydrophobicContact CG1-CG 4.11Å; V57-P143 HydrophobicContact CG2-CG 4.11Å; L60-P143 HydrophobicContact CD1-CB 3.77Å; L60-P143 HydrophobicContact CD1-CG 4.36Å; L139-P143 WeakPolarHBondContact O-CG 3.45Å; E140-P143 WeakPolarHBondContact O-CD 3.24Å; P143-M145 PolarHBondContact O-N 3.5Å; P143-F146 WeakPolarHBondContact O-CB 3.35Å; P143-F146 PolarHBondContact O-N 3.21Å; P143-R147 WeakPolarHBondContact O-CG 3.35Å; P143-R147 PolarHBondContact O-N 3.45Å; P143-L171 HydrophobicContact CG-CD1 4.1Å; P143-L171 HydrophobicContact CG-CD2 3.76Å |
| 144 | A | 97.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 45% | 0.446 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E140 G142 R148 | E140-A144 VanDerWaalsContact O-CB 3.3Å; E140-A144 WeakPolarHBondContact O-CB 3.46Å; E140-A144 PolarHBondContact O-N 2.97Å; G142-A144 VanDerWaalsContact C-N 3.3Å; G142-A144 PolarHBondContact O-N 2.96Å; A144-R148 WeakPolarHBondContact O-CB 3.47Å; A144-R148 PolarHBondContact O-N 3.02Å |
| 145 | M | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.4 | -39.6 | 178 | -162 | 66.6 | 74.7 | 0 | 0 | 112.3 | C88 V105 F111 F133 R141 G142 P143 R147 R148 L149 F214 | C88-M145 HydrophobicContact CB-CB 4.41Å; C88-M145 WeakPolarHBondContact SG-CB 3.45Å; V105-M145 HydrophobicContact CG1-CE 3.99Å; V105-M145 HydrophobicContact CG1-SD 4.19Å; F111-M145 HydrophobicContact CD2-CG 4.36Å; F111-M145 HydrophobicContact CD2-SD 3.46Å; F111-M145 WeakPolarHBondContact CD2-SD 3.26Å; F111-M145 HydrophobicContact CE2-SD 3.93Å; F111-M145 HydrophobicContact CG-SD 4.43Å; F133-M145 HydrophobicContact CD1-CB 4.02Å; F133-M145 HydrophobicContact CD1-CG 4.02Å; F133-M145 HydrophobicContact CE1-CB 4.1Å; F133-M145 HydrophobicContact CE1-CG 3.68Å; R141-M145 PolarHBondContact O-N 2.6Å; R141-M145 VanDerWaalsContact O-N 3.15Å; G142-M145 PolarHBondContact O-N 3.43Å; G142-M145 VanDerWaalsContact O-N 3.13Å; P143-M145 PolarHBondContact O-N 3.5Å; M145-R147 PolarHBondContact O-N 3.42Å; M145-R148 PolarHBondContact O-N 3.49Å; M145-L149 PolarHBondContact O-N 3.15Å; M145-F214 HydrophobicContact CE-CE2 4.2Å; M145-F214 HydrophobicContact CE-CZ 3.94Å; M145-F214 HydrophobicContact SD-CZ 4.04Å |
| 146 | F | 98.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.4 | -53.7 | 174.1 | -177 | -66.7 | 0 | 0 | 0 | 110.9 | L60 P61 F133 G142 P143 R148 L149 R150 M169 | L60-F146 HydrophobicContact CD1-CB 4.18Å; L60-F146 HydrophobicContact CD1-CD1 4.1Å; L60-F146 HydrophobicContact CD1-CD2 4.43Å; L60-F146 HydrophobicContact CD1-CG 4.01Å; L60-F146 HydrophobicContact CD2-CD1 3.68Å; L60-F146 HydrophobicContact CD2-CE1 3.61Å; L60-F146 HydrophobicContact CD2-CG 4.37Å; L60-F146 HydrophobicContact CD2-CZ 4.18Å; L60-F146 HydrophobicContact CG-CD1 4.49Å; P61-F146 HydrophobicContact CG-CZ 4.34Å; F133-F146 HydrophobicContact CD2-CB 3.99Å; F133-F146 AromaticContact CD2-CD2 3.68Å; F133-F146 HydrophobicContact CD2-CD2 3.68Å; F133-F146 HydrophobicContact CD2-CG 4.18Å; F133-F146 HydrophobicContact CE2-CB 4.32Å; F133-F146 HydrophobicContact CE2-CD2 4.19Å; F133-F146 HydrophobicContact CE2-CG 4.44Å; F133-F146 HydrophobicContact CG-CB 4.25Å; G142-F146 PolarHBondContact O-N 3.19Å; P143-F146 WeakPolarHBondContact O-CB 3.35Å; P143-F146 PolarHBondContact O-N 3.21Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.88Å; F146-L149 PolarHBondContact O-N 3.08Å; F146-R150 PolarHBondContact O-N 3.2Å; F146-R150 VanDerWaalsContact O-N 3.07Å; F146-M169 HydrophobicContact CD1-CE 3.9Å; F146-M169 HydrophobicContact CD2-CB 4.1Å; F146-M169 HydrophobicContact CE1-CE 3.66Å; F146-M169 HydrophobicContact CE2-CB 3.42Å; F146-M169 VanDerWaalsContact CE2-CB 3.42Å; F146-M169 HydrophobicContact CE2-CE 4.35Å; F146-M169 HydrophobicContact CG-CE 4.3Å; F146-M169 HydrophobicContact CZ-CB 3.69Å; F146-M169 HydrophobicContact CZ-CE 3.91Å |
| 147 | R | 97.8 | Very high | 96.5 | Very high | 97 Ų | 97 | 44.7 Ų | 44.7 | 37% | 0.366 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | -179 | -67.4 | -176.4 | -167.7 | 108.2 | -1 | 110.8 | D59 L60 P143 M145 L149 R150 D151 | D59-R147 IonicContact OD1-NH2 3.79Å; D59-R147 PolarHBondContact OD1-NH2 2.95Å; D59-R147 IonicContact OD2-CZ 2.85Å; D59-R147 IonicContact OD2-NE 2.64Å; D59-R147 PolarHBondContact OD2-NE 3.4Å; D59-R147 VanDerWaalsContact OD2-NE 3.08Å; D59-R147 IonicContact OD2-NH2 3.68Å; D59-R147 PolarHBondContact OD2-NH2 3.04Å; L60-R147 HydrophobicContact CD2-CG 4.49Å; P143-R147 WeakPolarHBondContact O-CG 3.35Å; P143-R147 PolarHBondContact O-N 3.45Å; M145-R147 PolarHBondContact O-N 3.42Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.84Å; R147-R150 PolarHBondContact O-N 3.13Å; R147-R150 VanDerWaalsContact O-N 3.16Å; R147-D151 WeakPolarHBondContact O-CB 3.14Å; R147-D151 VanDerWaalsContact O-CG 3.25Å; R147-D151 PolarHBondContact O-N 3.05Å |
| 148 | R | 97.3 | Very high | 96.3 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 176.2 | -172 | 178.6 | -67.2 | -85.1 | 0.8 | 112.8 | F111 A144 M145 F146 A152 F214 | F111-R148 HydrophobicContact CE1-CG 4.4Å; F111-R148 HydrophobicContact CE2-CB 4.35Å; F111-R148 HydrophobicContact CE2-CG 4.06Å; F111-R148 HydrophobicContact CZ-CB 4.43Å; F111-R148 HydrophobicContact CZ-CG 3.84Å; A144-R148 WeakPolarHBondContact O-CB 3.47Å; A144-R148 PolarHBondContact O-N 3.02Å; M145-R148 PolarHBondContact O-N 3.49Å; F146-R148 VanDerWaalsContact C-N 3.32Å; F146-R148 PolarHBondContact O-N 2.88Å; R148-A152 WeakPolarHBondContact O-CB 3.29Å; R148-A152 PolarHBondContact O-N 3.14Å; R148-F214 VanDerWaalsContact CD-CD1 3.48Å; R148-F214 VanDerWaalsContact CZ-CG 3.46Å |
| 149 | L | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -46.5 | 175.2 | -175.4 | 56.1 | 0 | 0 | 0 | 111.8 | F111 F115 F116 I131 F133 M145 F146 R147 D151 A152 D153 Y166 M169 | F111-L149 HydrophobicContact CE2-CB 3.95Å; F111-L149 HydrophobicContact CE2-CD1 4.26Å; F111-L149 HydrophobicContact CZ-CB 4.13Å; F111-L149 HydrophobicContact CZ-CD1 3.99Å; F115-L149 HydrophobicContact CB-CD1 3.83Å; F115-L149 HydrophobicContact CD1-CD1 4.1Å; F115-L149 HydrophobicContact CD1-CD2 3.68Å; F115-L149 HydrophobicContact CD2-CD1 3.88Å; F115-L149 HydrophobicContact CD2-CD2 4.27Å; F115-L149 HydrophobicContact CE1-CD2 3.6Å; F115-L149 HydrophobicContact CE2-CD1 4.49Å; F115-L149 HydrophobicContact CE2-CD2 4.2Å; F115-L149 HydrophobicContact CG-CD1 3.67Å; F115-L149 HydrophobicContact CG-CD2 4.04Å; F115-L149 HydrophobicContact CZ-CD2 3.87Å; F116-L149 HydrophobicContact CE2-CD1 4.45Å; F116-L149 HydrophobicContact CZ-CD1 4.01Å; I131-L149 HydrophobicContact CD1-CD2 3.47Å; I131-L149 VanDerWaalsContact CD1-CD2 3.47Å; F133-L149 HydrophobicContact CE2-CD2 4.32Å; F133-L149 HydrophobicContact CZ-CB 4.11Å; F133-L149 HydrophobicContact CZ-CD2 3.72Å; M145-L149 PolarHBondContact O-N 3.15Å; F146-L149 PolarHBondContact O-N 3.08Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.84Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 2.87Å; L149-A152 PolarHBondContact O-N 3.36Å; L149-D153 WeakPolarHBondContact O-CB 3.07Å; L149-D153 PolarHBondContact O-N 2.75Å; L149-Y166 HydrophobicContact CD1-CD2 3.75Å; L149-Y166 HydrophobicContact CD1-CE2 3.9Å; L149-Y166 HydrophobicContact CD2-CD2 3.93Å; L149-Y166 HydrophobicContact CD2-CE2 4.44Å; L149-Y166 HydrophobicContact CD2-CG 4.23Å; L149-Y166 HydrophobicContact CG-CD2 3.98Å; L149-M169 HydrophobicContact CB-SD 4.32Å; L149-M169 HydrophobicContact CD2-SD 3.66Å; L149-M169 HydrophobicContact CG-SD 4.06Å |
| 150 | R | 97.4 | Very high | 96 | Very high | 48 Ų | 48 | 60 Ų | 60 | 18% | 0.181 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58 | -45 | 177.6 | -178.5 | 56.3 | 55.7 | 66.9 | -6.5 | 111.9 | F146 R147 D153 R154 P167 M169 | F146-R150 PolarHBondContact O-N 3.2Å; F146-R150 VanDerWaalsContact O-N 3.07Å; R147-R150 PolarHBondContact O-N 3.13Å; R147-R150 VanDerWaalsContact O-N 3.16Å; R150-D153 PolarHBondContact O-N 3.32Å; R150-R154 WeakPolarHBondContact O-CB 3.23Å; R150-R154 VanDerWaalsContact O-CG 3.29Å; R150-R154 WeakPolarHBondContact O-CG 3.41Å; R150-R154 PolarHBondContact O-N 2.95Å; R150-P167 PolarHBondContact NH2-O 3.07Å; R150-M169 HydrophobicContact CB-CE 3.85Å |
| 151 | D | 96.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 179.8 | -67.5 | -18.5 | 0 | 0 | 0 | 111.2 | R147 L149 D153 R154 V155 | R147-D151 WeakPolarHBondContact O-CB 3.14Å; R147-D151 VanDerWaalsContact O-CG 3.25Å; R147-D151 PolarHBondContact O-N 3.05Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 2.87Å; D151-D153 VanDerWaalsContact C-N 3.34Å; D151-D153 PolarHBondContact O-N 3.49Å; D151-R154 PolarHBondContact O-N 3.45Å; D151-V155 VanDerWaalsContact O-CG2 3.3Å; D151-V155 WeakPolarHBondContact O-CG2 3.21Å; D151-V155 PolarHBondContact O-N 3.26Å |
| 152 | A | 95.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 60.6 Ų | 60.6 | 22% | 0.223 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F111 F116 R148 L149 V155 K156 | F111-A152 HydrophobicContact CE1-CB 4.25Å; F111-A152 HydrophobicContact CZ-CB 4.24Å; F116-A152 HydrophobicContact CE2-CB 3.95Å; F116-A152 HydrophobicContact CZ-CB 3.74Å; R148-A152 WeakPolarHBondContact O-CB 3.29Å; R148-A152 PolarHBondContact O-N 3.14Å; L149-A152 PolarHBondContact O-N 3.36Å; A152-V155 PolarHBondContact O-N 3.07Å; A152-K156 WeakPolarHBondContact O-CB 3.4Å; A152-K156 PolarHBondContact O-N 3.41Å |
| 153 | D | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 178.3 | -166.6 | 9.9 | 0 | 0 | 0 | 112 | L149 R150 D151 K156 H157 L164 Q165 Y166 | L149-D153 WeakPolarHBondContact O-CB 3.07Å; L149-D153 PolarHBondContact O-N 2.75Å; R150-D153 PolarHBondContact O-N 3.32Å; D151-D153 VanDerWaalsContact C-N 3.34Å; D151-D153 PolarHBondContact O-N 3.49Å; D153-K156 WeakPolarHBondContact O-CB 3.35Å; D153-K156 PolarHBondContact O-N 2.84Å; D153-H157 PolarHBondContact O-N 3.15Å; D153-H157 PolarHBondContact O-ND1 3.31Å; D153-H157 VanDerWaalsContact O-ND1 3.1Å; D153-H157 IonicContact OD1-CE1 3.15Å; D153-H157 PolarHBondContact OD1-CE1 3.13Å; D153-H157 IonicContact OD1-ND1 3.14Å; D153-H157 PolarHBondContact OD1-ND1 3.35Å; D153-L164 HydrophobicContact CB-CD2 4.05Å; D153-L164 WeakPolarHBondContact OD2-CB 3.43Å; D153-L164 WeakPolarHBondContact OD2-CD2 3.46Å; D153-Q165 PolarHBondContact OD1-N 3.05Å; D153-Q165 PolarHBondContact OD2-N 3.18Å; D153-Y166 PolarHBondContact OD2-N 2.9Å |
| 154 | R | 95.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 172.7 | -74.9 | -67.1 | -169.8 | -150 | -0.9 | 112.9 | A41 R150 D151 H157 K158 P162 L164 | A41-R154 PolarHBondContact O-NH2 2.79Å; R150-R154 WeakPolarHBondContact O-CB 3.23Å; R150-R154 VanDerWaalsContact O-CG 3.29Å; R150-R154 WeakPolarHBondContact O-CG 3.41Å; R150-R154 PolarHBondContact O-N 2.95Å; D151-R154 PolarHBondContact O-N 3.45Å; R154-H157 CarbonylContact O-C 3.49Å; R154-H157 PolarHBondContact O-N 3.06Å; R154-K158 WeakPolarHBondContact O-CA 3.42Å; R154-K158 PolarHBondContact O-N 2.98Å; R154-P162 VanDerWaalsContact NH1-C 3.33Å; R154-P162 PolarHBondContact NH1-O 2.95Å; R154-L164 HydrophobicContact CG-CD2 3.96Å |
| 155 | V | 94.7 | Very high | 94.9 | Very high | 80 Ų | 80 | 65 Ų | 65 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | D151 A152 H157 K158 L251 | D151-V155 VanDerWaalsContact O-CG2 3.3Å; D151-V155 WeakPolarHBondContact O-CG2 3.21Å; D151-V155 PolarHBondContact O-N 3.26Å; A152-V155 PolarHBondContact O-N 3.07Å; V155-H157 PolarHBondContact O-N 2.98Å; V155-K158 WeakPolarHBondContact O-CB 3.46Å; V155-K158 PolarHBondContact O-N 2.97Å; V155-L251 HydrophobicContact CG2-CD2 4.38Å |
| 156 | K | 92.2 | Very high | 94.8 | Very high | 112 Ų | 112 | 64.9 Ų | 64.9 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.7 | -177.2 | 178 | 175.7 | 179.6 | 0 | 112.1 | F116 A152 D153 | F116-K156 HydrophobicContact CD1-CD 4.28Å; F116-K156 HydrophobicContact CE1-CD 4.11Å; A152-K156 WeakPolarHBondContact O-CB 3.4Å; A152-K156 PolarHBondContact O-N 3.41Å; D153-K156 WeakPolarHBondContact O-CB 3.35Å; D153-K156 PolarHBondContact O-N 2.84Å |
| 157 | H | 92.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 24.3 | -178.6 | -61.4 | 97.3 | 0 | 0 | 0 | 114 | D153 R154 V155 L159 Q160 Y161 M163 | D153-H157 PolarHBondContact O-N 3.15Å; D153-H157 PolarHBondContact O-ND1 3.31Å; D153-H157 VanDerWaalsContact O-ND1 3.1Å; D153-H157 IonicContact OD1-CE1 3.15Å; D153-H157 PolarHBondContact OD1-CE1 3.13Å; D153-H157 IonicContact OD1-ND1 3.14Å; D153-H157 PolarHBondContact OD1-ND1 3.35Å; R154-H157 CarbonylContact O-C 3.49Å; R154-H157 PolarHBondContact O-N 3.06Å; V155-H157 PolarHBondContact O-N 2.98Å; H157-L159 PolarHBondContact O-N 3.34Å; H157-L159 VanDerWaalsContact O-N 3.1Å; H157-Q160 CarbonylContact O-C 3.54Å; H157-Q160 PolarHBondContact O-N 3.3Å; H157-Y161 PolarHBondContact O-N 3.43Å; H157-M163 VanDerWaalsContact CB-O 3.29Å; H157-M163 WeakPolarHBondContact CB-O 3.47Å |
| 158 | K | 93.3 | Very high | 94.5 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -53.7 | -37.4 | -174.1 | -178.3 | 175.3 | 179.8 | -179.4 | 0 | 113.9 | R154 V155 | R154-K158 WeakPolarHBondContact O-CA 3.42Å; R154-K158 PolarHBondContact O-N 2.98Å; V155-K158 WeakPolarHBondContact O-CB 3.46Å; V155-K158 PolarHBondContact O-N 2.97Å |
| 159 | L | 95.7 | Very high | 94.6 | Very high | 174 Ų | 174 | 59 Ų | 59 | 91% | 0.911 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -84 | -7.4 | -179.3 | -61.1 | -179.5 | 0 | 0 | 0 | 113.9 | H157 | H157-L159 PolarHBondContact O-N 3.34Å; H157-L159 VanDerWaalsContact O-N 3.1Å |
| 160 | Q | 93.5 | Very high | 94.6 | Very high | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.542 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -123.9 | 25 | -172.5 | -63.9 | 172.7 | 6.2 | 0 | 0 | 111.9 | H157 M163 | H157-Q160 CarbonylContact O-C 3.54Å; H157-Q160 PolarHBondContact O-N 3.3Å; Q160-M163 HydrophobicContact CB-CB 4.13Å; Q160-M163 HydrophobicContact CB-SD 4.34Å; Q160-M163 WeakPolarHBondContact O-CB 3.45Å; Q160-M163 PolarHBondContact O-N 3.16Å; Q160-M163 PolarHBondContact OE1-SD 3.3Å |
| 161 | Y | 91.8 | Very high | 94.7 | Very high | 143 Ų | 143 | 56.8 Ų | 56.8 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.1 | 177.6 | -176.7 | -86.6 | 0 | 0 | 0 | 111.2 | Y43 H157 | Y43-Y161 PolarHBondContact OH-OH 3.07Å; H157-Y161 PolarHBondContact O-N 3.43Å |
| 162 | P | 94.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.9 | 16.5 | 11.4 | 38.8 | -37.5 | 0 | 0 | 0 | 115.6 | D42 Y43 R154 | D42-P162 WeakPolarHBondContact CA-O 3.39Å; D42-P162 VanDerWaalsContact CB-O 3.24Å; D42-P162 WeakPolarHBondContact CB-O 3.39Å; D42-P162 WeakPolarHBondContact O-CG 3.33Å; Y43-P162 HydrophobicContact CD2-CB 3.84Å; Y43-P162 HydrophobicContact CD2-CG 4.21Å; Y43-P162 HydrophobicContact CE2-CB 3.99Å; R154-P162 VanDerWaalsContact NH1-C 3.33Å; R154-P162 PolarHBondContact NH1-O 2.95Å |
| 163 | M | 93.5 | Very high | 94.9 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | trans | -53.7 | 141.9 | -177.1 | -173.4 | 176.5 | 172.8 | 0 | 0 | 112.9 | H157 Q160 | H157-M163 VanDerWaalsContact CB-O 3.29Å; H157-M163 WeakPolarHBondContact CB-O 3.47Å; Q160-M163 HydrophobicContact CB-CB 4.13Å; Q160-M163 HydrophobicContact CB-SD 4.34Å; Q160-M163 WeakPolarHBondContact O-CB 3.45Å; Q160-M163 PolarHBondContact O-N 3.16Å; Q160-M163 PolarHBondContact OE1-SD 3.3Å | ||
| 164 | L | 93.5 | Very high | 95 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | trans | -139.6 | 147.9 | 173.6 | -71.5 | 173.4 | 0 | 0 | 0 | 109.4 | A41 D42 D153 R154 P167 | A41-L164 HydrophobicContact CB-CD1 3.48Å; A41-L164 VanDerWaalsContact CB-CD1 3.48Å; D42-L164 HydrophobicContact CB-CB 4.45Å; D42-L164 HydrophobicContact CB-CD1 4.41Å; D42-L164 HydrophobicContact CB-CG 4.47Å; D153-L164 HydrophobicContact CB-CD2 4.05Å; D153-L164 WeakPolarHBondContact OD2-CB 3.43Å; D153-L164 WeakPolarHBondContact OD2-CD2 3.46Å; R154-L164 HydrophobicContact CG-CD2 3.96Å; L164-P167 HydrophobicContact CB-CB 4.13Å; L164-P167 HydrophobicContact CD1-CB 4.42Å | ||
| 165 | Q | 91.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -77.5 | -31.1 | 166.1 | -174.6 | 173.2 | -13.5 | 0 | 0 | 111.1 | H123 D153 P167 | H123-Q165 PolarHBondContact CE1-O 3.38Å; H123-Q165 WeakPolarHBondContact NE2-CG 3.19Å; H123-Q165 PolarHBondContact NE2-NE2 3.01Å; D153-Q165 PolarHBondContact OD1-N 3.05Å; D153-Q165 PolarHBondContact OD2-N 3.18Å; Q165-P167 WeakPolarHBondContact O-CD 3.5Å |
| 166 | Y | 94.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -122.8 | 67.5 | -178.5 | -51.1 | -59.3 | 0 | 0 | 0 | 110.7 | F115 F116 V121 I131 L149 D153 E168 | F115-Y166 HydrophobicContact CB-CE2 4.09Å; F115-Y166 HydrophobicContact CD1-CE2 4.35Å; F115-Y166 PolarHBondContact O-OH 3.12Å; F116-Y166 HydrophobicContact CE1-CE2 4.43Å; V121-Y166 HydrophobicContact CB-CE1 3.96Å; V121-Y166 HydrophobicContact CG1-CE1 3.98Å; V121-Y166 HydrophobicContact CG2-CE1 3.67Å; I131-Y166 HydrophobicContact CD1-CD1 3.42Å; I131-Y166 VanDerWaalsContact CD1-CD1 3.42Å; I131-Y166 HydrophobicContact CD1-CD2 4.33Å; I131-Y166 HydrophobicContact CD1-CE1 3.98Å; I131-Y166 HydrophobicContact CD1-CG 3.6Å; I131-Y166 HydrophobicContact CG1-CD1 4.37Å; L149-Y166 HydrophobicContact CD1-CD2 3.75Å; L149-Y166 HydrophobicContact CD1-CE2 3.9Å; L149-Y166 HydrophobicContact CD2-CD2 3.93Å; L149-Y166 HydrophobicContact CD2-CE2 4.44Å; L149-Y166 HydrophobicContact CD2-CG 4.23Å; L149-Y166 HydrophobicContact CG-CD2 3.98Å; D153-Y166 PolarHBondContact OD2-N 2.9Å; Y166-E168 VanDerWaalsContact C-N 3.29Å; Y166-E168 PolarHBondContact O-N 3.04Å |
| 167 | P | 95 | Very high | 95.7 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | trans | -67.8 | -30.7 | -176.1 | 28.2 | -35.2 | 0 | 0 | 0 | 112.6 | I40 A41 D42 R150 L164 Q165 | I40-P167 HydrophobicContact CD1-CB 3.91Å; I40-P167 HydrophobicContact CD1-CG 4.16Å; I40-P167 HydrophobicContact CG1-CB 4.26Å; A41-P167 WeakPolarHBondContact CB-O 3.32Å; A41-P167 PolarHBondContact N-O 3.49Å; D42-P167 HydrophobicContact CB-CB 4.03Å; D42-P167 VanDerWaalsContact CG-CB 3.45Å; D42-P167 WeakPolarHBondContact OD2-CB 3.13Å; R150-P167 PolarHBondContact NH2-O 3.07Å; L164-P167 HydrophobicContact CB-CB 4.13Å; L164-P167 HydrophobicContact CD1-CB 4.42Å; Q165-P167 WeakPolarHBondContact O-CD 3.5Å | ||
| 168 | E | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -115.9 | 116.1 | -175.3 | -171.1 | 168.8 | 170.8 | 0 | 0 | 111.8 | I40 F47 A48 R128 I130 I131 Y166 Y170 | I40-E168 HydrophobicContact CB-CB 4.35Å; I40-E168 HydrophobicContact CD1-CB 4.44Å; I40-E168 HydrophobicContact CG2-CB 3.95Å; I40-E168 HydrophobicContact CG2-CG 3.85Å; F47-E168 HydrophobicContact CD1-CG 4.01Å; F47-E168 HydrophobicContact CE1-CG 4.38Å; A48-E168 WeakPolarHBondContact CB-OE1 3.5Å; A48-E168 PolarHBondContact N-OE1 3.33Å; R128-E168 WeakPolarHBondContact CD-OE2 3.29Å; R128-E168 WeakPolarHBondContact CG-OE2 3.44Å; R128-E168 IonicContact CZ-OE2 3.02Å; R128-E168 IonicContact NE-OE2 2.88Å; R128-E168 IonicContact NH1-OE1 3.08Å; R128-E168 IonicContact NH1-OE2 3.42Å; R128-E168 PolarHBondContact NH1-OE2 3.49Å; I130-E168 HydrophobicContact CG2-CB 4.14Å; I130-E168 HydrophobicContact CG2-CG 3.75Å; I131-E168 PolarHBondContact N-O 3Å; Y166-E168 VanDerWaalsContact C-N 3.29Å; Y166-E168 PolarHBondContact O-N 3.04Å; E168-Y170 HydrophobicContact CG-CE2 3.64Å; E168-Y170 WeakPolarHBondContact OE1-CE2 3.29Å; E168-Y170 PolarHBondContact OE1-OH 3.35Å | ||
| 169 | M | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 150.6 | -179.5 | -55.6 | -167.7 | -65.6 | 0 | 0 | 109.7 | P61 I131 F133 F146 L149 R150 | P61-M169 WeakPolarHBondContact CG-O 3.41Å; I131-M169 HydrophobicContact CB-CG 4.09Å; I131-M169 HydrophobicContact CD1-SD 4.38Å; I131-M169 CarbonylContact O-C 3.44Å; I131-M169 WeakPolarHBondContact O-CA 3.48Å; F133-M169 HydrophobicContact CE2-CB 4.43Å; F133-M169 HydrophobicContact CE2-SD 3.72Å; F133-M169 HydrophobicContact CZ-SD 4.35Å; F146-M169 HydrophobicContact CD1-CE 3.9Å; F146-M169 HydrophobicContact CD2-CB 4.1Å; F146-M169 HydrophobicContact CE1-CE 3.66Å; F146-M169 HydrophobicContact CE2-CB 3.42Å; F146-M169 VanDerWaalsContact CE2-CB 3.42Å; F146-M169 HydrophobicContact CE2-CE 4.35Å; F146-M169 HydrophobicContact CG-CE 4.3Å; F146-M169 HydrophobicContact CZ-CB 3.69Å; F146-M169 HydrophobicContact CZ-CE 3.91Å; L149-M169 HydrophobicContact CB-SD 4.32Å; L149-M169 HydrophobicContact CD2-SD 3.66Å; L149-M169 HydrophobicContact CG-SD 4.06Å; R150-M169 HydrophobicContact CB-CE 3.85Å |
| 170 | Y | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 162.1 | 179.9 | -58.9 | -86.7 | 0 | 0 | 0 | 112 | F47 A48 L49 Y51 P61 I63 I130 I131 I132 F133 E168 | F47-Y170 HydrophobicContact CB-CE1 4.44Å; F47-Y170 WeakPolarHBondContact CB-OH 3.44Å; F47-Y170 HydrophobicContact CD1-CD1 4.47Å; F47-Y170 AromaticContact CD1-CE1 3.52Å; F47-Y170 HydrophobicContact CD1-CE1 3.52Å; F47-Y170 HydrophobicContact CD1-CE2 4.47Å; F47-Y170 AromaticContact CD1-CZ 3.53Å; F47-Y170 WeakPolarHBondContact CD1-OH 3.32Å; F47-Y170 HydrophobicContact CE1-CE1 4.11Å; F47-Y170 HydrophobicContact CG-CE1 4.27Å; A48-Y170 PolarHBondContact N-OH 2.96Å; L49-Y170 HydrophobicContact CB-CE1 4.13Å; L49-Y170 HydrophobicContact CB-CE2 4.21Å; L49-Y170 HydrophobicContact CD1-CD2 4.15Å; L49-Y170 HydrophobicContact CD1-CE2 3.9Å; L49-Y170 HydrophobicContact CG-CE2 4.12Å; L49-Y170 PolarHBondContact N-OH 2.85Å; Y51-Y170 HydrophobicContact CD1-CE1 4.48Å; Y51-Y170 HydrophobicContact CG-CE1 4.32Å; P61-Y170 HydrophobicContact CB-CD1 4.02Å; P61-Y170 HydrophobicContact CB-CE1 4.41Å; P61-Y170 HydrophobicContact CG-CD1 4.32Å; P61-Y170 WeakPolarHBondContact O-CA 3.43Å; I63-Y170 HydrophobicContact CG2-CD1 3.57Å; I63-Y170 HydrophobicContact CG2-CE1 4.12Å; I63-Y170 HydrophobicContact CG2-CG 3.83Å; I130-Y170 HydrophobicContact CB-CE2 4.35Å; I130-Y170 HydrophobicContact CD1-CD2 4.4Å; I130-Y170 HydrophobicContact CD1-CE2 4.23Å; I130-Y170 HydrophobicContact CG2-CE2 4.34Å; I131-Y170 PolarHBondContact O-N 2.9Å; I132-Y170 WeakPolarHBondContact CA-O 3.43Å; I132-Y170 HydrophobicContact CG1-CD2 4.43Å; F133-Y170 PolarHBondContact N-O 2.73Å; E168-Y170 HydrophobicContact CG-CE2 3.64Å; E168-Y170 WeakPolarHBondContact OE1-CE2 3.29Å; E168-Y170 PolarHBondContact OE1-OH 3.35Å |
| 171 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128 | 169.4 | -177.5 | 77.6 | 0 | 0 | 0 | 109.8 | V57 P61 Q62 I63 F133 S138 P143 S173 | V57-L171 HydrophobicContact CB-CD2 4.49Å; V57-L171 HydrophobicContact CG1-CD2 4.26Å; P61-L171 PolarHBondContact O-N 3.1Å; Q62-L171 CarbonylContact C-O 3.45Å; Q62-L171 WeakPolarHBondContact CA-O 3.29Å; Q62-L171 HydrophobicContact CG-CB 4.13Å; Q62-L171 HydrophobicContact CG-CD2 4.11Å; I63-L171 PolarHBondContact N-O 2.85Å; F133-L171 HydrophobicContact CB-CD1 4.2Å; F133-L171 CarbonylContact O-C 3.59Å; F133-L171 WeakPolarHBondContact O-CA 3.19Å; S138-L171 WeakPolarHBondContact O-CD2 3.49Å; P143-L171 HydrophobicContact CG-CD1 4.1Å; P143-L171 HydrophobicContact CG-CD2 3.76Å; L171-S173 PolarHBondContact O-N 3.47Å |
| 172 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.2 | 174.9 | 178.9 | 62.9 | 0 | 0 | 0 | 110 | I63 L68 I99 I132 F133 Y134 S138 G175 F179 | I63-L172 HydrophobicContact CG1-CD1 4.33Å; L68-L172 HydrophobicContact CB-CD1 4.09Å; L68-L172 HydrophobicContact CD2-CD1 3.77Å; L68-L172 HydrophobicContact CD2-CD2 3.66Å; L68-L172 HydrophobicContact CD2-CG 4.27Å; I99-L172 HydrophobicContact CD1-CD2 3.65Å; I132-L172 HydrophobicContact CG2-CB 4.28Å; F133-L172 PolarHBondContact O-N 2.94Å; Y134-L172 HydrophobicContact CG-CD2 4.35Å; S138-L172 WeakPolarHBondContact CB-O 3.49Å; S138-L172 PolarHBondContact OG-O 3.47Å; L172-G175 PolarHBondContact O-N 2.92Å; L172-F179 HydrophobicContact CD2-CB 4.2Å; L172-F179 HydrophobicContact CD2-CD2 4.21Å; L172-F179 HydrophobicContact CD2-CG 4.41Å |
| 173 | S | 97.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 30.2 Ų | 30.2 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 134 | -176.7 | -159.4 | 0 | 0 | 0 | 0 | 112.4 | F52 Q62 I63 L171 G175 | F52-S173 WeakPolarHBondContact CZ-OG 3.11Å; Q62-S173 PolarHBondContact OE1-OG 3.4Å; I63-S173 WeakPolarHBondContact O-CB 3.13Å; I63-S173 PolarHBondContact O-N 2.93Å; L171-S173 PolarHBondContact O-N 3.47Å; S173-G175 PolarHBondContact O-N 3.28Å |
| 174 | G | 97.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 22% | 0.216 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -5.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K178 | G174-K178 PolarHBondContact O-N 2.97Š|
| 175 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | 61.3 | -163.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C135 E136 S138 L172 S173 K177 K178 F179 | C135-G175 CarbonylContact O-C 3.28Å; C135-G175 VanDerWaalsContact O-CA 3.27Å; C135-G175 WeakPolarHBondContact O-CA 3.22Å; E136-G175 CarbonylContact O-C 3.59Å; S138-G175 VanDerWaalsContact OG-CA 3.23Å; S138-G175 WeakPolarHBondContact OG-CA 3.37Å; L172-G175 PolarHBondContact O-N 2.92Å; S173-G175 PolarHBondContact O-N 3.28Å; G175-K177 VanDerWaalsContact C-N 3.25Å; G175-K177 PolarHBondContact O-N 2.87Å; G175-K178 PolarHBondContact O-N 2.94Å; G175-F179 PolarHBondContact O-N 3.22Å; G175-F179 VanDerWaalsContact O-N 3.13Å |
| 176 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -34.4 | -178.8 | -170.4 | -108.3 | 0 | 0 | 0 | 112.5 | R89 G97 H98 I99 Y134 C135 E136 K178 F179 F180 C187 N191 Y192 | R89-Y176 VanDerWaalsContact NH1-CD1 3.26Å; G97-Y176 VanDerWaalsContact C-CZ 3.47Å; G97-Y176 VanDerWaalsContact O-CE1 3.29Å; G97-Y176 WeakPolarHBondContact O-CE1 3.49Å; G97-Y176 PolarHBondContact O-OH 3.03Å; H98-Y176 VanDerWaalsContact C-CE2 3.43Å; H98-Y176 VanDerWaalsContact CA-CE2 3.45Å; H98-Y176 PolarHBondContact N-OH 2.87Å; I99-Y176 HydrophobicContact CG1-CD2 3.8Å; I99-Y176 HydrophobicContact CG1-CE2 3.96Å; Y134-Y176 AromaticContact CE2-CD2 3.91Å; Y134-Y176 HydrophobicContact CE2-CD2 3.91Å; Y134-Y176 HydrophobicContact CE2-CG 4.19Å; C135-Y176 PolarHBondContact O-N 3.1Å; E136-Y176 PolarHBondContact O-N 3.4Å; Y176-K178 PolarHBondContact O-N 2.83Å; Y176-F179 PolarHBondContact O-N 3.13Å; Y176-F180 HydrophobicContact CD1-CB 4.38Å; Y176-F180 HydrophobicContact CE1-CB 4.05Å; Y176-F180 HydrophobicContact CE1-CD2 4.43Å; Y176-F180 HydrophobicContact CE1-CG 4.35Å; Y176-F180 WeakPolarHBondContact O-CB 3.3Å; Y176-F180 PolarHBondContact O-N 3.28Å; Y176-C187 HydrophobicContact CE2-CB 4.42Å; Y176-C187 WeakPolarHBondContact OH-CB 3.35Å; Y176-N191 PolarHBondContact OH-O 3.44Å; Y176-Y192 AromaticContact CD1-CD2 3.68Å; Y176-Y192 HydrophobicContact CD1-CD2 3.68Å; Y176-Y192 HydrophobicContact CD1-CE2 4.28Å; Y176-Y192 HydrophobicContact CD1-CG 4.48Å; Y176-Y192 AromaticContact CE1-CD2 3.91Å; Y176-Y192 HydrophobicContact CE1-CD2 3.91Å; Y176-Y192 HydrophobicContact CE1-CG 4.41Å |
| 177 | K | 98.5 | Very high | 98 | Very high | 59 Ų | 59 | 31 Ų | 31 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.8 | -48.8 | -179.9 | -175.5 | 177 | -166.2 | 152.5 | 0 | 111.7 | E136 Y137 G175 N181 Y192 E194 | E136-K177 WeakPolarHBondContact O-CB 3.39Å; E136-K177 PolarHBondContact O-N 3.36Å; Y137-K177 HydrophobicContact CD1-CD 4Å; Y137-K177 HydrophobicContact CE1-CB 4.48Å; Y137-K177 HydrophobicContact CE1-CD 3.24Å; Y137-K177 HydrophobicContact CE1-CG 4.48Å; Y137-K177 PolarHBondContact OH-NZ 3.31Å; G175-K177 VanDerWaalsContact C-N 3.25Å; G175-K177 PolarHBondContact O-N 2.87Å; K177-N181 PolarHBondContact O-N 3.27Å; K177-N181 PolarHBondContact O-ND2 3.35Å; K177-Y192 HydrophobicContact CB-CE1 4.36Å; K177-Y192 HydrophobicContact CD-CE1 4.32Å; K177-Y192 HydrophobicContact CG-CE1 3.89Å; K177-E194 IonicContact NZ-OE1 3.27Å |
| 178 | K | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 32.7 Ų | 32.7 | 35% | 0.352 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 177.3 | -172.5 | -169.2 | 177.4 | -150.3 | 0 | 110.6 | D65 G174 G175 Y176 F180 N181 N182 | D65-K178 IonicContact OD1-NZ 3.5Å; D65-K178 PolarHBondContact OD1-NZ 3.37Å; D65-K178 WeakPolarHBondContact OD2-CE 3.34Å; D65-K178 IonicContact OD2-NZ 3.57Å; G174-K178 PolarHBondContact O-N 2.97Å; G175-K178 PolarHBondContact O-N 2.94Å; Y176-K178 PolarHBondContact O-N 2.83Å; K178-F180 PolarHBondContact O-N 3.45Å; K178-N181 PolarHBondContact O-N 2.85Å; K178-N182 PolarHBondContact O-N 3.17Å |
| 179 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | -177.9 | -173.5 | -86.3 | 0 | 0 | 0 | 112.3 | D65 L68 V69 I99 L172 G175 Y176 N181 N182 H183 M186 | D65-F179 HydrophobicContact CB-CD2 3.86Å; L68-F179 HydrophobicContact CB-CE2 4.37Å; L68-F179 HydrophobicContact CD2-CD2 3.97Å; L68-F179 HydrophobicContact CD2-CE2 3.71Å; L68-F179 HydrophobicContact CD2-CZ 4.45Å; L68-F179 HydrophobicContact CG-CE2 4.06Å; V69-F179 HydrophobicContact CG2-CE2 4.04Å; V69-F179 HydrophobicContact CG2-CZ 4.32Å; I99-F179 HydrophobicContact CB-CE1 4.29Å; I99-F179 HydrophobicContact CD1-CB 4.34Å; I99-F179 HydrophobicContact CD1-CD1 3.7Å; I99-F179 HydrophobicContact CD1-CD2 4.01Å; I99-F179 HydrophobicContact CD1-CE1 3.95Å; I99-F179 HydrophobicContact CD1-CE2 4.24Å; I99-F179 HydrophobicContact CD1-CG 3.73Å; I99-F179 HydrophobicContact CD1-CZ 4.21Å; I99-F179 HydrophobicContact CG1-CD1 3.62Å; I99-F179 HydrophobicContact CG1-CE1 3.73Å; I99-F179 HydrophobicContact CG1-CG 4.18Å; I99-F179 HydrophobicContact CG1-CZ 4.38Å; I99-F179 HydrophobicContact CG2-CE1 3.86Å; I99-F179 HydrophobicContact CG2-CZ 3.92Å; L172-F179 HydrophobicContact CD2-CB 4.2Å; L172-F179 HydrophobicContact CD2-CD2 4.21Å; L172-F179 HydrophobicContact CD2-CG 4.41Å; G175-F179 PolarHBondContact O-N 3.22Å; G175-F179 VanDerWaalsContact O-N 3.13Å; Y176-F179 PolarHBondContact O-N 3.13Å; F179-N181 PolarHBondContact O-N 2.94Å; F179-N182 PolarHBondContact O-N 3.12Å; F179-H183 HydrophobicContact CD1-CB 4.36Å; F179-H183 HydrophobicContact CE1-CB 3.96Å; F179-H183 HydrophobicContact CE2-CB 4.39Å; F179-H183 HydrophobicContact CZ-CB 3.98Å; F179-H183 WeakPolarHBondContact O-CA 3.25Å; F179-H183 PolarHBondContact O-N 2.58Å; F179-M186 HydrophobicContact CE1-CB 4.07Å; F179-M186 HydrophobicContact CZ-CB 4.1Å; F179-M186 HydrophobicContact CZ-SD 4.41Å |
| 180 | F | 98.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 179.3 | 177.7 | -103.6 | 0 | 0 | 0 | 112.1 | Y176 K178 N182 A184 C187 P190 Y192 | Y176-F180 HydrophobicContact CD1-CB 4.38Å; Y176-F180 HydrophobicContact CE1-CB 4.05Å; Y176-F180 HydrophobicContact CE1-CD2 4.43Å; Y176-F180 HydrophobicContact CE1-CG 4.35Å; Y176-F180 WeakPolarHBondContact O-CB 3.3Å; Y176-F180 PolarHBondContact O-N 3.28Å; K178-F180 PolarHBondContact O-N 3.45Å; F180-N182 PolarHBondContact O-N 3.13Å; F180-A184 HydrophobicContact CD2-CB 4.01Å; F180-A184 HydrophobicContact CE2-CB 3.69Å; F180-A184 HydrophobicContact CZ-CB 4.14Å; F180-A184 WeakPolarHBondContact O-CA 3.48Å; F180-A184 WeakPolarHBondContact O-CB 3.15Å; F180-A184 PolarHBondContact O-N 2.86Å; F180-C187 HydrophobicContact CD2-CB 4.15Å; F180-P190 VanDerWaalsContact CE2-C 3.44Å; F180-Y192 HydrophobicContact CD1-CG 4.34Å |
| 181 | N | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 42.8 Ų | 42.8 | 59% | 0.594 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.9 | -33.2 | 178.3 | -72.3 | -13.4 | 0 | 0 | 0 | 112.7 | K177 K178 F179 | K177-N181 PolarHBondContact O-N 3.27Å; K177-N181 PolarHBondContact O-ND2 3.35Å; K178-N181 PolarHBondContact O-N 2.85Å; F179-N181 PolarHBondContact O-N 2.94Å |
| 182 | N | 98.2 | Very high | 98.1 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -96 | -29 | -176.2 | -67.5 | -12.3 | 0 | 0 | 0 | 113.3 | D65 K178 F179 F180 | D65-N182 PolarHBondContact OD2-ND2 3.35Å; K178-N182 PolarHBondContact O-N 3.17Å; F179-N182 PolarHBondContact O-N 3.12Å; F180-N182 PolarHBondContact O-N 3.13Å |
| 183 | H | 97.9 | Very high | 98 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.181 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -139.8 | 42.1 | -169.2 | -54 | -69.9 | 0 | 0 | 0 | 112.7 | V69 F179 N185 M186 | V69-H183 HydrophobicContact CG2-CB 4.45Å; F179-H183 HydrophobicContact CD1-CB 4.36Å; F179-H183 HydrophobicContact CE1-CB 3.96Å; F179-H183 HydrophobicContact CE2-CB 4.39Å; F179-H183 HydrophobicContact CZ-CB 3.98Å; F179-H183 WeakPolarHBondContact O-CA 3.25Å; F179-H183 PolarHBondContact O-N 2.58Å; H183-N185 PolarHBondContact O-N 3.15Å; H183-M186 HydrophobicContact CB-CB 4.44Å; H183-M186 HydrophobicContact CB-CG 4.42Å; H183-M186 HydrophobicContact CB-SD 4.32Å; H183-M186 WeakPolarHBondContact O-CB 3.32Å; H183-M186 PolarHBondContact O-N 2.64Å |
| 184 | A | 97.8 | Very high | 98 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -53.3 | -29.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | F180 M186 C187 | F180-A184 HydrophobicContact CD2-CB 4.01Å; F180-A184 HydrophobicContact CE2-CB 3.69Å; F180-A184 HydrophobicContact CZ-CB 4.14Å; F180-A184 WeakPolarHBondContact O-CA 3.48Å; F180-A184 WeakPolarHBondContact O-CB 3.15Å; F180-A184 PolarHBondContact O-N 2.86Å; A184-M186 PolarHBondContact O-N 3.04Å; A184-C187 WeakPolarHBondContact O-CB 3.31Å; A184-C187 PolarHBondContact O-N 3.15Å; A184-C187 VanDerWaalsContact O-N 3.16Å |
| 185 | N | 97.7 | Very high | 98 | Very high | 112 Ų | 112 | 48 Ų | 48 | 60% | 0.599 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -65.6 | -16.1 | 175.5 | 64.8 | -54 | 0 | 0 | 0 | 113.6 | R100 H183 | R100-N185 PolarHBondContact NH2-O 3.49Å; H183-N185 PolarHBondContact O-N 3.15Å |
| 186 | M | 98 | Very high | 97.8 | Very high | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -99.7 | 10.9 | 176.5 | -59.5 | -175 | 77.3 | 0 | 0 | 112.8 | V69 I72 R100 F179 H183 A184 | V69-M186 HydrophobicContact CB-CE 4.5Å; V69-M186 HydrophobicContact CB-SD 4.16Å; V69-M186 HydrophobicContact CG1-CE 4.17Å; V69-M186 HydrophobicContact CG1-SD 3.79Å; V69-M186 HydrophobicContact CG2-CE 4.3Å; V69-M186 HydrophobicContact CG2-SD 3.53Å; V69-M186 VanDerWaalsContact CG2-SD 3.53Å; I72-M186 HydrophobicContact CB-CE 3.85Å; I72-M186 HydrophobicContact CD1-CE 3.94Å; I72-M186 HydrophobicContact CG2-CE 3.56Å; R100-M186 WeakPolarHBondContact CB-O 3.36Å; R100-M186 VanDerWaalsContact CG-O 3.22Å; R100-M186 WeakPolarHBondContact CG-O 3.12Å; R100-M186 PolarHBondContact N-O 3.42Å; F179-M186 HydrophobicContact CE1-CB 4.07Å; F179-M186 HydrophobicContact CZ-CB 4.1Å; F179-M186 HydrophobicContact CZ-SD 4.41Å; H183-M186 HydrophobicContact CB-CB 4.44Å; H183-M186 HydrophobicContact CB-CG 4.42Å; H183-M186 HydrophobicContact CB-SD 4.32Å; H183-M186 WeakPolarHBondContact O-CB 3.32Å; H183-M186 PolarHBondContact O-N 2.64Å; A184-M186 PolarHBondContact O-N 3.04Å |
| 187 | C | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 156.8 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | H98 Y176 F180 A184 | H98-C187 CarbonylContact O-C 3.58Å; H98-C187 WeakPolarHBondContact O-CA 3.24Å; H98-C187 WeakPolarHBondContact O-CB 3.4Å; Y176-C187 HydrophobicContact CE2-CB 4.42Å; Y176-C187 WeakPolarHBondContact OH-CB 3.35Å; F180-C187 HydrophobicContact CD2-CB 4.15Å; A184-C187 WeakPolarHBondContact O-CB 3.31Å; A184-C187 PolarHBondContact O-N 3.15Å; A184-C187 VanDerWaalsContact O-N 3.16Å |
| 188 | S | 97.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 121.5 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | H98 | H98-S188 PolarHBondContact CE1-O 3.37Å; H98-S188 PolarHBondContact N-O 2.89Å; H98-S188 PolarHBondContact ND1-O 2.98Å; H98-S188 PolarHBondContact NE2-O 2.87Å; H98-S188 PolarHBondContact O-N 2.92Å |
| 189 | P | 97.7 | Very high | 96.8 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | S | Bend | cis | -54.4 | 157.4 | -19.9 | 27.7 | -36.9 | 0 | 0 | 0 | 111.1 | G96 G97 N191 | G96-P189 WeakPolarHBondContact O-CG 3.31Å; G97-P189 WeakPolarHBondContact CA-O 3.24Å; P189-N191 PolarHBondContact O-N 3.03Å |
| 190 | P | 96.7 | Very high | 96.3 | Very high | 94 Ų | 94 | 69 Ų | 69 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.7 | 64.4 | 177.2 | 33.5 | -36.6 | 0 | 0 | 0 | 110.4 | F180 | F180-P190 VanDerWaalsContact CE2-C 3.44Š|
| 191 | N | 97.9 | Very high | 96 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | trans | -142.8 | 164.1 | -177.2 | -178.4 | 41.4 | 0 | 0 | 0 | 110.1 | G96 G97 Y176 P189 | G96-N191 VanDerWaalsContact O-CB 3.28Å; G96-N191 WeakPolarHBondContact O-CB 3.28Å; G96-N191 PolarHBondContact O-ND2 3.44Å; G97-N191 WeakPolarHBondContact CA-O 3.46Å; Y176-N191 PolarHBondContact OH-O 3.44Å; P189-N191 PolarHBondContact O-N 3.03Å | ||
| 192 | Y | 98.2 | Very high | 95.8 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | trans | -131.2 | 117.7 | 177.1 | 168.6 | -135.6 | 0 | 0 | 0 | 110 | E136 Y176 K177 F180 E194 | E136-Y192 HydrophobicContact CG-CE2 4.03Å; E136-Y192 WeakPolarHBondContact CG-OH 3.32Å; E136-Y192 PolarHBondContact OE1-OH 2.92Å; Y176-Y192 AromaticContact CD1-CD2 3.68Å; Y176-Y192 HydrophobicContact CD1-CD2 3.68Å; Y176-Y192 HydrophobicContact CD1-CE2 4.28Å; Y176-Y192 HydrophobicContact CD1-CG 4.48Å; Y176-Y192 AromaticContact CE1-CD2 3.91Å; Y176-Y192 HydrophobicContact CE1-CD2 3.91Å; Y176-Y192 HydrophobicContact CE1-CG 4.41Å; K177-Y192 HydrophobicContact CB-CE1 4.36Å; K177-Y192 HydrophobicContact CD-CE1 4.32Å; K177-Y192 HydrophobicContact CG-CE1 3.89Å; F180-Y192 HydrophobicContact CD1-CG 4.34Å; Y192-E194 HydrophobicContact CE1-CG 3.82Å; Y192-E194 HydrophobicContact CE2-CG 4.28Å | ||
| 193 | V | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | trans | -107.1 | 117.8 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 108.4 | Y92 N197 Y200 | Y92-V193 HydrophobicContact CD2-CG1 4.15Å; V193-N197 HydrophobicContact CG1-CB 4.09Å; V193-Y200 HydrophobicContact CB-CD2 4.44Å; V193-Y200 HydrophobicContact CG1-CD1 4.47Å; V193-Y200 HydrophobicContact CG1-CD2 3.63Å; V193-Y200 HydrophobicContact CG1-CE2 4.34Å; V193-Y200 HydrophobicContact CG1-CG 3.7Å; V193-Y200 HydrophobicContact CG2-CD1 4.07Å; V193-Y200 HydrophobicContact CG2-CD2 3.89Å; V193-Y200 HydrophobicContact CG2-CE1 4Å; V193-Y200 HydrophobicContact CG2-CE2 3.82Å; V193-Y200 HydrophobicContact CG2-CG 4.01Å | ||
| 194 | E | 97.5 | Very high | 95.5 | Very high | 74 Ų | 74 | 65.6 Ų | 65.6 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | trans | -70.2 | 153.4 | 175.7 | -57.1 | -164.6 | 151 | 0 | 0 | 111.3 | E136 K177 Y192 T196 N197 | E136-E194 WeakPolarHBondContact OE1-CA 3.3Å; K177-E194 IonicContact NZ-OE1 3.27Å; Y192-E194 HydrophobicContact CE1-CG 3.82Å; Y192-E194 HydrophobicContact CE2-CG 4.28Å; E194-T196 PolarHBondContact O-N 2.86Å; E194-N197 VanDerWaalsContact O-CB 3.32Å; E194-N197 WeakPolarHBondContact O-CB 3.42Å; E194-N197 PolarHBondContact O-N 2.82Å; E194-N197 VanDerWaalsContact O-N 3.13Å | ||
| 195 | M | 96.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 70.5 Ų | 70.5 | 17% | 0.167 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -40.1 | 176.3 | -173.2 | -171.4 | 73.3 | 0 | 0 | 111.8 | Y90 Y92 E136 N197 W203 | Y90-M195 HydrophobicContact CD2-CG 3.81Å; Y90-M195 HydrophobicContact CD2-SD 4.47Å; Y90-M195 HydrophobicContact CE2-CG 3.66Å; Y90-M195 HydrophobicContact CE2-SD 3.78Å; Y92-M195 PolarHBondContact OH-O 3.34Å; E136-M195 PolarHBondContact OE1-N 2.77Å; E136-M195 WeakPolarHBondContact OE2-CB 3.5Å; M195-N197 PolarHBondContact O-N 3.17Å; M195-W203 HydrophobicContact CG-CB 3.95Å; M195-W203 WeakPolarHBondContact O-CB 3.49Å |
| 196 | T | 95.2 | Very high | 95.4 | Very high | 82 Ų | 82 | 66 Ų | 66 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 5.1 | -176.9 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | E194 E198 | E194-T196 PolarHBondContact O-N 2.86Å; T196-E198 PolarHBondContact O-N 2.85Å; T196-E198 VanDerWaalsContact O-N 3.08Å |
| 197 | N | 92.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | trans | -80.7 | 93.8 | -177.1 | -163.8 | -34.8 | 0 | 0 | 0 | 112.1 | V193 E194 M195 K199 Y200 | V193-N197 HydrophobicContact CG1-CB 4.09Å; E194-N197 VanDerWaalsContact O-CB 3.32Å; E194-N197 WeakPolarHBondContact O-CB 3.42Å; E194-N197 PolarHBondContact O-N 2.82Å; E194-N197 VanDerWaalsContact O-N 3.13Å; M195-N197 PolarHBondContact O-N 3.17Å; N197-K199 PolarHBondContact O-N 3.48Å; N197-K199 VanDerWaalsContact O-N 3.12Å; N197-K199 VanDerWaalsContact OD1-CB 3.25Å; N197-K199 WeakPolarHBondContact OD1-CB 3.4Å; N197-K199 PolarHBondContact OD1-N 3.37Å; N197-Y200 HydrophobicContact CB-CD2 4.22Å; N197-Y200 PolarHBondContact O-N 3.02Å; N197-Y200 VanDerWaalsContact O-N 3.13Å; N197-Y200 WeakPolarHBondContact OD1-CD2 3.39Å | ||
| 198 | E | 90 | Very high | 95.2 | Very high | 166 Ų | 166 | 75.2 Ų | 75.2 | 78% | 0.776 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.2 | -178.7 | -62.5 | 180 | 175 | 0 | 0 | 114 | T196 Y200 | T196-E198 PolarHBondContact O-N 2.85Å; T196-E198 VanDerWaalsContact O-N 3.08Å; E198-Y200 PolarHBondContact O-N 3.41Å |
| 199 | K | 92 | Very high | 95.1 | Very high | 174 Ų | 174 | 77.4 Ų | 77.4 | 76% | 0.757 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -30.6 | 177 | -176.6 | -177.4 | 173.1 | -174.9 | 0 | 112.3 | N197 | N197-K199 PolarHBondContact O-N 3.48Å; N197-K199 VanDerWaalsContact O-N 3.12Å; N197-K199 VanDerWaalsContact OD1-CB 3.25Å; N197-K199 WeakPolarHBondContact OD1-CB 3.4Å; N197-K199 PolarHBondContact OD1-N 3.37Å |
| 200 | Y | 88.5 | Confident | 95.1 | Very high | 103 Ų | 103 | 76.1 Ų | 76.1 | 40% | 0.404 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -25.1 | -173.4 | -69.3 | -87.2 | 0 | 0 | 0 | 113.1 | Y92 V193 N197 E198 | Y92-Y200 VanDerWaalsContact CB-O 3.24Å; Y92-Y200 WeakPolarHBondContact CB-O 3.38Å; V193-Y200 HydrophobicContact CB-CD2 4.44Å; V193-Y200 HydrophobicContact CG1-CD1 4.47Å; V193-Y200 HydrophobicContact CG1-CD2 3.63Å; V193-Y200 HydrophobicContact CG1-CE2 4.34Å; V193-Y200 HydrophobicContact CG1-CG 3.7Å; V193-Y200 HydrophobicContact CG2-CD1 4.07Å; V193-Y200 HydrophobicContact CG2-CD2 3.89Å; V193-Y200 HydrophobicContact CG2-CE1 4Å; V193-Y200 HydrophobicContact CG2-CE2 3.82Å; V193-Y200 HydrophobicContact CG2-CG 4.01Å; N197-Y200 HydrophobicContact CB-CD2 4.22Å; N197-Y200 PolarHBondContact O-N 3.02Å; N197-Y200 VanDerWaalsContact O-N 3.13Å; N197-Y200 WeakPolarHBondContact OD1-CD2 3.39Å; E198-Y200 PolarHBondContact O-N 3.41Å |
| 201 | G | 91.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 73 Ų | 73 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | trans | 176.4 | 171.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 202 | S | 95.2 | Very high | 94.8 | Very high | 36 Ų | 36 | 72.8 Ų | 72.8 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | trans | -96.2 | 106.6 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | S204 E205 C206 | S202-S204 PolarHBondContact O-N 3.08Å; S202-S204 PolarHBondContact OG-OG 3.29Å; S202-S204 VanDerWaalsContact OG-OG 3.05Å; S202-E205 WeakPolarHBondContact CB-OE2 3.24Å; S202-E205 PolarHBondContact O-N 3.38Å; S202-E205 WeakPolarHBondContact OG-CG 3.4Å; S202-E205 PolarHBondContact OG-N 3.09Å; S202-C206 PolarHBondContact O-N 3.45Å; S202-C206 VanDerWaalsContact O-N 3.11Å | ||
| 203 | W | 93.9 | Very high | 94.7 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -30.2 | 178.5 | 71.1 | -91.9 | 0 | 0 | 0 | 112.5 | Y90 Y92 M195 R207 | Y90-W203 HydrophobicContact CD2-CB 4.35Å; Y90-W203 HydrophobicContact CE2-CB 4.03Å; Y92-W203 VanDerWaalsContact OH-CA 3.31Å; Y92-W203 WeakPolarHBondContact OH-CA 3.47Å; Y92-W203 WeakPolarHBondContact OH-CB 3.2Å; M195-W203 HydrophobicContact CG-CB 3.95Å; M195-W203 WeakPolarHBondContact O-CB 3.49Å; W203-R207 WeakPolarHBondContact O-CB 3.36Å; W203-R207 PolarHBondContact O-N 3.28Å |
| 204 | S | 95.3 | Very high | 94.4 | Very high | 61 Ų | 61 | 73.4 Ų | 73.4 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.7 | -41 | 179.6 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | S202 R207 Q208 | S202-S204 PolarHBondContact O-N 3.08Å; S202-S204 PolarHBondContact OG-OG 3.29Å; S202-S204 VanDerWaalsContact OG-OG 3.05Å; S204-R207 PolarHBondContact O-N 3.26Å; S204-Q208 WeakPolarHBondContact O-CB 3.5Å; S204-Q208 PolarHBondContact O-N 3.35Å |
| 205 | E | 95.9 | Very high | 94 | Very high | 138 Ų | 138 | 73.1 Ų | 73.1 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.5 | -50.8 | 173.8 | -70.9 | 173.1 | 179.5 | 0 | 0 | 111 | S202 R207 Q208 E209 | S202-E205 WeakPolarHBondContact CB-OE2 3.24Å; S202-E205 PolarHBondContact O-N 3.38Å; S202-E205 WeakPolarHBondContact OG-CG 3.4Å; S202-E205 PolarHBondContact OG-N 3.09Å; E205-R207 VanDerWaalsContact C-N 3.27Å; E205-R207 PolarHBondContact O-N 2.81Å; E205-Q208 WeakPolarHBondContact O-CB 3.5Å; E205-Q208 PolarHBondContact O-N 2.89Å; E205-Q208 VanDerWaalsContact O-N 3.1Å; E205-E209 WeakPolarHBondContact O-CB 3.22Å; E205-E209 PolarHBondContact O-N 2.72Å |
| 206 | C | 96.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 75.7 Ų | 75.7 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | Y90 Y92 H106 S202 R210 | Y90-C206 HydrophobicContact CD1-CB 3.32Å; Y90-C206 HydrophobicContact CD2-CB 4Å; Y90-C206 HydrophobicContact CE1-CB 3.67Å; Y90-C206 HydrophobicContact CE2-CB 4.33Å; Y90-C206 HydrophobicContact CG-CB 3.49Å; Y90-C206 VanDerWaalsContact CG-CB 3.49Å; Y92-C206 HydrophobicContact CE1-CB 4.45Å; H106-C206 PolarHBondContact CE1-O 3.4Å; H106-C206 PolarHBondContact NE2-O 3.18Å; S202-C206 PolarHBondContact O-N 3.45Å; S202-C206 VanDerWaalsContact O-N 3.11Å; C206-R210 WeakPolarHBondContact O-CB 3.31Å; C206-R210 PolarHBondContact O-N 2.91Å |
| 207 | R | 95.8 | Very high | 90.6 | Very high | 95 Ų | 95 | 77.8 Ų | 77.8 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 172.3 | -177 | -179.7 | -77.5 | -144.4 | 4.1 | 110.9 | Y90 W203 S204 E205 A211 | Y90-R207 VanDerWaalsContact OH-CA 3.31Å; Y90-R207 WeakPolarHBondContact OH-CA 3.47Å; Y90-R207 VanDerWaalsContact OH-CB 3.24Å; Y90-R207 WeakPolarHBondContact OH-CB 3.35Å; W203-R207 WeakPolarHBondContact O-CB 3.36Å; W203-R207 PolarHBondContact O-N 3.28Å; S204-R207 PolarHBondContact O-N 3.26Å; E205-R207 VanDerWaalsContact C-N 3.27Å; E205-R207 PolarHBondContact O-N 2.81Å; R207-A211 WeakPolarHBondContact O-CB 3.35Å; R207-A211 PolarHBondContact O-N 3.02Å |
| 208 | Q | 96 | Very high | 88.5 | Confident | 121 Ų | 121 | 84.7 Ų | 84.7 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | -179.8 | -177.4 | 60.8 | 26.2 | 0 | 0 | 111.2 | S204 E205 R210 A211 V212 | S204-Q208 WeakPolarHBondContact O-CB 3.5Å; S204-Q208 PolarHBondContact O-N 3.35Å; E205-Q208 WeakPolarHBondContact O-CB 3.5Å; E205-Q208 PolarHBondContact O-N 2.89Å; E205-Q208 VanDerWaalsContact O-N 3.1Å; Q208-R210 PolarHBondContact O-N 3.11Å; Q208-A211 PolarHBondContact O-N 3.23Å; Q208-V212 HydrophobicContact CG-CG2 4.47Å; Q208-V212 WeakPolarHBondContact O-CG2 3.47Å; Q208-V212 PolarHBondContact O-N 3.41Å |
| 209 | E | 96.1 | Very high | 86.4 | Confident | 105 Ų | 105 | 86.8 Ų | 86.8 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.6 | -51.4 | 176.8 | -178.7 | -177.4 | -173.3 | 0 | 0 | 111.4 | H106 T107 E205 A211 V212 S213 | H106-E209 IonicContact CD2-OE2 3.1Å; H106-E209 IonicContact NE2-OE2 2.77Å; T107-E209 HydrophobicContact CG2-CG 4.34Å; E205-E209 WeakPolarHBondContact O-CB 3.22Å; E205-E209 PolarHBondContact O-N 2.72Å; E209-A211 PolarHBondContact O-N 3.42Å; E209-V212 PolarHBondContact O-N 3.32Å; E209-S213 WeakPolarHBondContact O-CB 3.39Å; E209-S213 PolarHBondContact O-N 3.24Å |
| 210 | R | 96.7 | Very high | 83.9 | Confident | 30 Ų | 30 | 86.1 Ų | 86.1 | 11% | 0.113 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56 | -50.4 | 175.9 | 176.4 | 174.4 | -73.4 | 158.4 | -8 | 111.6 | C88 R89 Y90 H106 C206 Q208 V212 S213 F214 | C88-R210 PolarHBondContact O-NH1 3.44Å; C88-R210 PolarHBondContact O-NH2 3.32Å; R89-R210 PolarHBondContact O-NH2 2.7Å; Y90-R210 VanDerWaalsContact CE1-NH1 3.31Å; H106-R210 VanDerWaalsContact ND1-CZ 3.32Å; H106-R210 PolarHBondContact ND1-NE 2.65Å; H106-R210 PolarHBondContact ND1-NH2 2.94Å; H106-R210 PolarHBondContact O-NE 3.1Å; C206-R210 WeakPolarHBondContact O-CB 3.31Å; C206-R210 PolarHBondContact O-N 2.91Å; Q208-R210 PolarHBondContact O-N 3.11Å; R210-V212 PolarHBondContact O-N 3.32Å; R210-S213 PolarHBondContact O-N 3.38Å; R210-S213 PolarHBondContact O-OG 3.02Å; R210-F214 HydrophobicContact CG-CD2 3.87Å; R210-F214 HydrophobicContact CG-CE2 3.89Å; R210-F214 VanDerWaalsContact O-CD2 3.29Å; R210-F214 WeakPolarHBondContact O-CD2 3.29Å; R210-F214 PolarHBondContact O-N 2.85Å |
| 211 | A | 94.4 | Very high | 81.6 | Confident | 28 Ų | 28 | 85.8 Ų | 85.8 | 23% | 0.231 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R207 Q208 E209 S213 F214 C215 | R207-A211 WeakPolarHBondContact O-CB 3.35Å; R207-A211 PolarHBondContact O-N 3.02Å; Q208-A211 PolarHBondContact O-N 3.23Å; E209-A211 PolarHBondContact O-N 3.42Å; A211-S213 PolarHBondContact O-N 3.47Å; A211-F214 PolarHBondContact O-N 2.76Å; A211-C215 PolarHBondContact O-N 3.28Å; A211-C215 PolarHBondContact O-SG 3.36Å |
| 212 | V | 95.1 | Very high | 79 | Confident | 60 Ų | 60 | 93.3 Ų | 93.3 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | Q208 E209 R210 F214 C215 D216 | Q208-V212 HydrophobicContact CG-CG2 4.47Å; Q208-V212 WeakPolarHBondContact O-CG2 3.47Å; Q208-V212 PolarHBondContact O-N 3.41Å; E209-V212 PolarHBondContact O-N 3.32Å; R210-V212 PolarHBondContact O-N 3.32Å; V212-F214 PolarHBondContact O-N 3.47Å; V212-F214 VanDerWaalsContact O-N 3.15Å; V212-C215 PolarHBondContact O-N 3.09Å; V212-D216 WeakPolarHBondContact CG1-OD2 3.43Å; V212-D216 PolarHBondContact O-N 2.95Å |
| 213 | S | 95.4 | Very high | 76.1 | Confident | 27 Ų | 27 | 97.3 Ų | 97.3 | 19% | 0.189 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -57.2 | -36 | -176.2 | 77.5 | 0 | 0 | 0 | 0 | 112.9 | T107 A108 E209 R210 A211 | T107-S213 WeakPolarHBondContact CA-OG 3.47Å; A108-S213 WeakPolarHBondContact CB-O 3.03Å; A108-S213 PolarHBondContact N-OG 2.83Å; E209-S213 WeakPolarHBondContact O-CB 3.39Å; E209-S213 PolarHBondContact O-N 3.24Å; R210-S213 PolarHBondContact O-N 3.38Å; R210-S213 PolarHBondContact O-OG 3.02Å; A211-S213 PolarHBondContact O-N 3.47Å |
| 214 | F | 92.4 | Very high | 73.6 | Confident | 24 Ų | 24 | 100.7 Ų | 100.7 | 11% | 0.105 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -86.4 | -16.1 | -179.5 | -75.6 | -65.7 | 0 | 0 | 0 | 114.2 | A108 F111 M145 R148 R210 A211 V212 | A108-F214 VanDerWaalsContact CA-CE1 3.41Å; A108-F214 HydrophobicContact CB-CD1 3.53Å; A108-F214 HydrophobicContact CB-CE1 3.64Å; A108-F214 HydrophobicContact CB-CG 4.08Å; A108-F214 HydrophobicContact CB-CZ 4.26Å; F111-F214 HydrophobicContact CB-CE1 4.15Å; F111-F214 HydrophobicContact CB-CZ 4.18Å; F111-F214 HydrophobicContact CG-CE1 4.25Å; M145-F214 HydrophobicContact CE-CE2 4.2Å; M145-F214 HydrophobicContact CE-CZ 3.94Å; M145-F214 HydrophobicContact SD-CZ 4.04Å; R148-F214 VanDerWaalsContact CD-CD1 3.48Å; R148-F214 VanDerWaalsContact CZ-CG 3.46Å; R210-F214 HydrophobicContact CG-CD2 3.87Å; R210-F214 HydrophobicContact CG-CE2 3.89Å; R210-F214 VanDerWaalsContact O-CD2 3.29Å; R210-F214 WeakPolarHBondContact O-CD2 3.29Å; R210-F214 PolarHBondContact O-N 2.85Å; A211-F214 PolarHBondContact O-N 2.76Å; V212-F214 PolarHBondContact O-N 3.47Å; V212-F214 VanDerWaalsContact O-N 3.15Å |
| 215 | C | 88.3 | Confident | 70.9 | Confident | 68 Ų | 68 | 103 Ų | 103 | 46% | 0.459 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -80.8 | -30 | 174.8 | -70.4 | 0 | 0 | 0 | 0 | 112.9 | A211 V212 K217 C255 | A211-C215 PolarHBondContact O-N 3.28Å; A211-C215 PolarHBondContact O-SG 3.36Å; V212-C215 PolarHBondContact O-N 3.09Å; C215-K217 PolarHBondContact O-N 2.9Å; C215-C255 PolarHBondContact SG-SG 3.15Å |
| 216 | D | 63.4 | Low | 68.1 | Low | 87 Ų | 87 | 101.7 Ų | 101.7 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | trans | -76.8 | 12.6 | -162.4 | -94.2 | -25.5 | 0 | 0 | 0 | 116.9 | V212 R218 | V212-D216 WeakPolarHBondContact CG1-OD2 3.43Å; V212-D216 PolarHBondContact O-N 2.95Å; D216-R218 PolarHBondContact O-N 3.18Å | ||
| 217 | K | 56.3 | Low | 65.5 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 55% | 0.548 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | 2.1 | -177.2 | -68.7 | -166.2 | 174.7 | -168.7 | 0 | 115.7 | N112 C215 | N112-K217 PolarHBondContact OD1-NZ 3.28Å; C215-K217 PolarHBondContact O-N 2.9Å |
| 218 | R | 49.1 | Very low | 62.8 | Low | 202 Ų | 202 | 112.2 Ų | 112.2 | 76% | 0.762 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -8.5 | 178.1 | -66.8 | -168.9 | -166.8 | 176.8 | 5.5 | 115.3 | D216 | D216-R218 PolarHBondContact O-N 3.18Š|
| 219 | R | 46.9 | Very low | 60 | Low | 209 Ų | 209 | 114 Ų | 114 | 79% | 0.789 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -102.5 | -14 | -172.1 | -72.8 | -176 | -173.5 | 165.8 | 4.4 | 116.8 | ||
| 220 | N | 39.5 | Very low | 57.5 | Low | 161 Ų | 161 | 114.3 Ų | 114.3 | 86% | 0.861 | 61% | 0.609 | S | S | * | * | trans | -106.4 | 18.6 | -176.2 | -76.1 | 2.2 | 0 | 0 | 0 | 115.1 | ||||
| 221 | S | 40.6 | Very low | 54.5 | Low | 96 Ų | 96 | 116.1 Ų | 116.1 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -84.4 | 107.6 | 157.9 | 55.4 | 0 | 0 | 0 | 0 | 108 | ||
| 222 | E | 35.1 | Very low | 52 | Low | 178 Ų | 178 | 122.6 Ų | 122.6 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 145.4 | 170.3 | -73.6 | -161.6 | 153.2 | 0 | 0 | 110.7 | I224 | E222-I224 PolarHBondContact O-N 2.97Š|
| 223 | P | 34.3 | Very low | 49.3 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122 | 176.7 | -10.3 | 24 | 0 | 0 | 0 | 109.2 | ||
| 224 | I | 41.9 | Very low | 46.8 | Very low | 161 Ų | 161 | 134 Ų | 134 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 126.2 | 167.5 | -59 | 171.8 | 0 | 0 | 0 | 107 | E222 S226 | E222-I224 PolarHBondContact O-N 2.97Å; I224-S226 PolarHBondContact O-N 3.05Å; I224-S226 VanDerWaalsContact O-N 3.14Å |
| 225 | P | 37.9 | Very low | 44.3 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 122 | 177.8 | -17.5 | 28.6 | 0 | 0 | 0 | 109.3 | K227 | P225-K227 PolarHBondContact O-N 2.95Š|
| 226 | S | 36.9 | Very low | 41.8 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -58.7 | 108.2 | 170 | 53.5 | 0 | 0 | 0 | 0 | 108.3 | I224 T228 | I224-S226 PolarHBondContact O-N 3.05Å; I224-S226 VanDerWaalsContact O-N 3.14Å; S226-T228 PolarHBondContact O-N 3.07Å; S226-T228 VanDerWaalsContact O-N 3.08Å | ||
| 227 | K | 44.3 | Very low | 40.8 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 111.2 | 169.4 | -76.8 | -172.2 | 176.5 | -179 | 0 | 108 | P225 | P225-K227 PolarHBondContact O-N 2.95Š| ||
| 228 | T | 39.2 | Very low | 39.8 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -58.9 | 137.1 | 164.5 | 40 | 0 | 0 | 0 | 0 | 110.3 | S226 | S226-T228 PolarHBondContact O-N 3.07Å; S226-T228 VanDerWaalsContact O-N 3.08Å | ||
| 229 | D | 36.6 | Very low | 39.1 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -41.7 | 125.2 | 175 | -160.1 | 4.5 | 0 | 0 | 0 | 114.1 | ||||
| 230 | S | 43.6 | Very low | 38.8 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -173.3 | 127.9 | 145.6 | 43.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 231 | G | 34.3 | Very low | 38.6 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -67.6 | 156.6 | -159.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 232 | N | 40.8 | Very low | 38.2 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | -166.4 | 147.8 | 126.2 | -111.4 | -22.7 | 0 | 0 | 0 | 111.4 | |||||
| 233 | Q | 37.5 | Very low | 38.3 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -62.6 | 136.2 | -173.5 | -56.5 | -175.7 | 3.3 | 0 | 0 | 113.3 | ||||
| 234 | V | 43.9 | Very low | 38.3 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -145.5 | 136.2 | 155.1 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 235 | S | 40.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 166.4 | -173 | 40.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 236 | P | 35.4 | Very low | 37.5 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 133.8 | -172.4 | 13.3 | 1.1 | 0 | 0 | 0 | 112.5 | ||
| 237 | L | 41.7 | Very low | 37.2 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 149.5 | 168.2 | -85.1 | 162.9 | 0 | 0 | 0 | 111 | ||
| 238 | P | 35.2 | Very low | 36.5 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 151.2 | -164.1 | 31.8 | -33.4 | 0 | 0 | 0 | 113.8 | ||
| 239 | E | 35.3 | Very low | 36.2 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 130.2 | 179.4 | -61.5 | -178.8 | 165.8 | 0 | 0 | 112.1 | ||
| 240 | T | 40.6 | Very low | 36 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 148.3 | 168.9 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 241 | P | 34.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 149.6 | -163.7 | -8.8 | 26.7 | 0 | 0 | 0 | 112.8 | H243 | P241-H243 PolarHBondContact O-N 3.26Å; P241-H243 VanDerWaalsContact O-N 3.09Å |
| 242 | R | 33.1 | Very low | 35.8 | Very low | 252 Ų | 252 | 145.7 Ų | 145.7 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -36.4 | 105.5 | 179.6 | -60.7 | -179.2 | -162.9 | -158.8 | 3.5 | 113.4 | ||||
| 243 | H | 36.6 | Very low | 35.5 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -72.9 | 136.4 | 166.3 | -100.4 | -87.3 | 0 | 0 | 0 | 110.8 | P241 H245 | P241-H243 PolarHBondContact O-N 3.26Å; P241-H243 VanDerWaalsContact O-N 3.09Å; H243-H245 PolarHBondContact O-N 3.28Å | ||
| 244 | F | 34.6 | Very low | 35.7 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | -37.8 | 126.1 | 167.2 | -90.9 | -104.2 | 0 | 0 | 0 | 111.5 | F246 | F244-F246 PolarHBondContact O-N 3.32Š| ||
| 245 | H | 28.3 | Very low | 35.2 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -69.3 | 82 | 173.3 | -155.2 | 64.7 | 0 | 0 | 0 | 108.5 | H243 Q247 | H243-H245 PolarHBondContact O-N 3.28Å; H245-Q247 PolarHBondContact O-N 2.98Å | ||
| 246 | F | 34.6 | Very low | 35 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | trans | -69.5 | 111.6 | 159.7 | -147.9 | -94.2 | 0 | 0 | 0 | 104.7 | F244 S248 | F244-F246 PolarHBondContact O-N 3.32Å; F246-S248 PolarHBondContact O-N 3.15Å | ||
| 247 | Q | 30.4 | Very low | 35.1 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | trans | -58.4 | 93.9 | 169.3 | -78.7 | -177.5 | -37.2 | 0 | 0 | 106.9 | H245 S249 | H245-Q247 PolarHBondContact O-N 2.98Å; Q247-S249 PolarHBondContact O-N 2.93Å | ||
| 248 | S | 30.6 | Very low | 34.9 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -66.4 | 91.7 | 159.8 | 61 | 0 | 0 | 0 | 0 | 104.8 | F246 S250 | F246-S248 PolarHBondContact O-N 3.15Å; S248-S250 VanDerWaalsContact C-N 3.26Å; S248-S250 PolarHBondContact O-N 3.41Å | ||
| 249 | S | 31.4 | Very low | 34.9 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | trans | -53 | 108.9 | 151.9 | 39.2 | 0 | 0 | 0 | 0 | 104.9 | Q247 D253 | Q247-S249 PolarHBondContact O-N 2.93Å; S249-D253 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 250 | S | 33.7 | Very low | 34.9 | Very low | 61 Ų | 61 | 135 Ų | 135 | 43% | 0.427 | 68% | 0.678 | S | S | . | * | trans | -43.1 | 141.5 | 177.4 | 38.9 | 0 | 0 | 0 | 0 | 109.7 | S248 T252 D253 | S248-S250 VanDerWaalsContact C-N 3.26Å; S248-S250 PolarHBondContact O-N 3.41Å; S250-T252 VanDerWaalsContact CB-OG1 3.24Å; S250-T252 WeakPolarHBondContact CB-OG1 3.36Å; S250-T252 PolarHBondContact O-N 3.41Å; S250-T252 PolarHBondContact OG-OG1 3.27Å; S250-D253 PolarHBondContact O-N 3.49Å | ||
| 251 | L | 37.5 | Very low | 34.6 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 2.9 | 171.5 | -73.6 | 164.8 | 0 | 0 | 0 | 114.2 | V155 L254 | V155-L251 HydrophobicContact CG2-CD2 4.38Å; L251-L254 HydrophobicContact CD2-CD1 3.96Å |
| 252 | T | 36.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 135 Ų | 135 | 44% | 0.442 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -12.7 | 168 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | S250 L254 | S250-T252 VanDerWaalsContact CB-OG1 3.24Å; S250-T252 WeakPolarHBondContact CB-OG1 3.36Å; S250-T252 PolarHBondContact O-N 3.41Å; S250-T252 PolarHBondContact OG-OG1 3.27Å; T252-L254 VanDerWaalsContact C-N 3.32Å |
| 253 | D | 34 | Very low | 34.4 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 54% | 0.535 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -4.7 | 176.1 | -72.3 | -21 | 0 | 0 | 0 | 113.7 | S249 S250 C255 Y256 | S249-D253 WeakPolarHBondContact CB-OD2 3.48Å; S250-D253 PolarHBondContact O-N 3.49Å; D253-C255 PolarHBondContact O-N 2.9Å; D253-Y256 PolarHBondContact O-N 2.7Å |
| 254 | L | 40.7 | Very low | 34 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 34% | 0.335 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75 | -5.2 | 171.5 | -76.3 | 166.9 | 0 | 0 | 0 | 113.3 | L251 T252 Y256 | L251-L254 HydrophobicContact CD2-CD1 3.96Å; T252-L254 VanDerWaalsContact C-N 3.32Å; L254-Y256 PolarHBondContact O-N 2.83Å |
| 255 | C | 34.6 | Very low | 33.9 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 51% | 0.507 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -82.6 | 59.4 | 154.3 | -66 | 0 | 0 | 0 | 0 | 108.7 | C215 D253 D257 | C215-C255 PolarHBondContact SG-SG 3.15Å; D253-C255 PolarHBondContact O-N 2.9Å; C255-D257 PolarHBondContact O-N 2.92Å; C255-D257 VanDerWaalsContact O-N 3.07Å |
| 256 | Y | 37.1 | Very low | 34 | Very low | 203 Ų | 203 | 124.6 Ų | 124.6 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -56.9 | 121.9 | 169 | -173.5 | -100.8 | 0 | 0 | 0 | 107.5 | D253 L254 S258 | D253-Y256 PolarHBondContact O-N 2.7Å; L254-Y256 PolarHBondContact O-N 2.83Å; Y256-S258 PolarHBondContact O-N 2.98Å | ||
| 257 | D | 37.1 | Very low | 33.8 | Very low | 66 Ų | 66 | 121 Ų | 121 | 35% | 0.353 | 64% | 0.636 | S | S | . | * | trans | -46.4 | 98 | -166.2 | -171.1 | 7 | 0 | 0 | 0 | 112.9 | C255 R259 Q260 | C255-D257 PolarHBondContact O-N 2.92Å; C255-D257 VanDerWaalsContact O-N 3.07Å; D257-R259 PolarHBondContact O-N 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.33Å; D257-R259 WeakPolarHBondContact OD1-CG 3.24Å; D257-R259 PolarHBondContact OD1-N 3.18Å; D257-Q260 PolarHBondContact O-N 3.03Å; D257-Q260 PolarHBondContact OD2-NE2 3Å | ||
| 258 | S | 36.1 | Very low | 33.8 | Very low | 91 Ų | 91 | 119 Ų | 119 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 12.4 | 172 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | Y256 | Y256-S258 PolarHBondContact O-N 2.98Š|
| 259 | R | 36.5 | Very low | 33.9 | Very low | 219 Ų | 219 | 123.2 Ų | 123.2 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 2.2 | 172.9 | -47.9 | -177.4 | -161.3 | -175.6 | 5.3 | 114 | D257 | D257-R259 PolarHBondContact O-N 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.33Å; D257-R259 WeakPolarHBondContact OD1-CG 3.24Å; D257-R259 PolarHBondContact OD1-N 3.18Å |
| 260 | Q | 34 | Very low | 33.9 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | trans | -115.7 | 64.8 | 172.9 | -71.8 | -176.5 | 50.1 | 0 | 0 | 112.1 | D257 | D257-Q260 PolarHBondContact O-N 3.03Å; D257-Q260 PolarHBondContact OD2-NE2 3Å | ||
| 261 | S | 35.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | trans | -150 | 40.3 | 152.5 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | S263 | S261-S263 PolarHBondContact O-N 3.04Š| ||
| 262 | D | 28.7 | Very low | 33.3 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 92% | 0.92 | 67% | 0.666 | S | S | * | * | trans | -77.7 | 82.3 | 151.2 | -88.7 | -23.9 | 0 | 0 | 0 | 107.3 | ||||
| 263 | S | 34 | Very low | 33.2 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -145.1 | 97.6 | 153.4 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | S261 F265 | S261-S263 PolarHBondContact O-N 3.04Å; S263-F265 VanDerWaalsContact C-N 3.34Å; S263-F265 PolarHBondContact O-N 3.02Å | ||
| 264 | S | 29.7 | Very low | 33.2 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | -32.8 | 98.1 | 139 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 265 | F | 32.6 | Very low | 32.9 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 82% | 0.82 | 73% | 0.726 | S | S | * | * | trans | -169.6 | 61.9 | 151.9 | -103.8 | -72.6 | 0 | 0 | 0 | 110.3 | S263 H267 | S263-F265 VanDerWaalsContact C-N 3.34Å; S263-F265 PolarHBondContact O-N 3.02Å; F265-H267 HydrophobicContact CD1-CB 4.3Å; F265-H267 PolarHBondContact O-N 3.14Å | ||
| 266 | Y | 30.5 | Very low | 32.9 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 96.1 | 146 | -103.2 | -92.7 | 0 | 0 | 0 | 107.2 | ||||
| 267 | H | 29.9 | Very low | 33 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 51% | 0.509 | 74% | 0.741 | S | S | . | * | trans | -149.3 | 117.3 | 158.6 | -154.2 | -47.5 | 0 | 0 | 0 | 110.3 | F265 R269 | F265-H267 HydrophobicContact CD1-CB 4.3Å; F265-H267 PolarHBondContact O-N 3.14Å; H267-R269 WeakPolarHBondContact CE1-CD 3.45Å; H267-R269 WeakPolarHBondContact CE1-CG 3.18Å; H267-R269 WeakPolarHBondContact ND1-CG 3.46Å; H267-R269 PolarHBondContact O-N 3.08Å | ||
| 268 | P | 30.6 | Very low | 33 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -82.8 | 105.7 | 167.7 | 31.2 | -25.9 | 0 | 0 | 0 | 107.4 | ||||
| 269 | R | 31.7 | Very low | 33.1 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -150 | 122.4 | 169.2 | -96.8 | -170.5 | 170 | 176.6 | -4.1 | 111.5 | H267 | H267-R269 WeakPolarHBondContact CE1-CD 3.45Å; H267-R269 WeakPolarHBondContact CE1-CG 3.18Å; H267-R269 WeakPolarHBondContact ND1-CG 3.46Å; H267-R269 PolarHBondContact O-N 3.08Å | ||
| 270 | F | 31.1 | Very low | 33.1 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 63.1 | 107.5 | 144.3 | -77.7 | -100.6 | 0 | 0 | 0 | 117.6 | ||||
| 271 | M | 29.3 | Very low | 33.4 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 100.3 | 124.3 | 79.3 | -90.5 | -155.5 | 164.3 | 0 | 0 | 112 | |||||
| 272 | A | 29.2 | Very low | 33.7 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 51 | 110.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 273 | I | 33.6 | Very low | 34.3 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -125.2 | 111 | 147.4 | -63.9 | 179.4 | 0 | 0 | 0 | 107.1 | ||||
| 274 | Q | 34.2 | Very low | 34.6 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 128.9 | 166.4 | -73.5 | 174 | -46.7 | 0 | 0 | 109.1 | A276 | Q274-A276 PolarHBondContact O-N 2.99Š| ||
| 275 | S | 35.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -76.2 | 112.8 | 164.4 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 276 | A | 33.4 | Very low | 36.4 | Very low | 95 Ų | 95 | 154.2 Ų | 154.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -89.3 | 117.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q274 | Q274-A276 PolarHBondContact O-N 2.99Š| ||
| 277 | H | 39.7 | Very low | 36.6 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -138.7 | 96.8 | 158.9 | -94.7 | -103.6 | 0 | 0 | 0 | 104.1 | ||||
| 278 | S | 36.6 | Very low | 37 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | 72.6 | 133.9 | 84.9 | -161.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 279 | V | 38.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 155.4 Ų | 155.4 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | trans | 98.5 | 116.6 | 154.1 | -146.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 280 | M | 37.7 | Very low | 37.7 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | trans | 122.2 | 100.1 | 141.7 | -67.2 | -150.5 | -178.9 | 0 | 0 | 117 | ||||
| 281 | Q | 38.8 | Very low | 38.1 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -41.7 | 145.7 | 153.9 | -64.6 | 163.2 | -57.6 | 0 | 0 | 112.4 | ||||
| 282 | F | 41.6 | Very low | 38.7 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | -163.3 | 114.6 | 124.6 | -106.2 | -76.1 | 0 | 0 | 0 | 111.4 | |||||
| 283 | N | 41.6 | Very low | 39.4 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 68% | 0.679 | 82% | 0.821 | S | S | * | * | trans | 11.2 | 145.6 | 148.2 | -60.2 | -31.9 | 0 | 0 | 0 | 123.7 | ||||
| 284 | H | 41.4 | Very low | 39.8 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | 103.1 | 100.6 | 131.7 | -105.1 | -59.7 | 0 | 0 | 0 | 120.3 | ||||
| 285 | V | 48.6 | Very low | 40.3 | Very low | 109 Ų | 109 | 151.8 Ų | 151.8 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | 52.3 | 114.4 | 123.7 | 179.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 286 | H | 50.1 | Low | 40.7 | Very low | 259 Ų | 259 | 155.2 Ų | 155.2 | 100% | 1.199 | 81% | 0.812 | S | S | * | * | -140 | 0 | 112.3 | -107.6 | -61.7 | 0 | 0 | 0 | 110.2 |
Retrieved 286 of 286 residues in 324.9 ms
(Link to these results)