| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.5 | Very low | 60.5 | Low | 256 Ų | 256 | 114.3 Ų | 114.3 | 100% | 1.261 | 68% | 0.681 | S | S | * | * | 0 | 128.6 | 0 | -69.1 | 167.5 | 167.2 | 0 | 0 | 107.5 | |||||
| 2 | G | 51.3 | Low | 61.6 | Low | 74 Ų | 74 | 112.5 Ų | 112.5 | 76% | 0.763 | 67% | 0.665 | S | S | * | * | trans | 162.6 | -2.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | G | 52.8 | Low | 62.6 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -86.6 | -11.7 | -173 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 4 | A | 55 | Low | 63.2 | Low | 76 Ų | 76 | 111.7 Ų | 111.7 | 63% | 0.628 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -99 | -13.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 5 | M | 56.3 | Low | 64.1 | Low | 144 Ų | 144 | 108.1 Ų | 108.1 | 71% | 0.709 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.2 | -31.7 | -170.9 | -77.9 | 165.2 | 63 | 0 | 0 | 114.2 | L8 L9 | M5-L8 PolarHBondContact O-N 3.37Å; M5-L9 WeakPolarHBondContact O-CB 3.27Å; M5-L9 PolarHBondContact O-N 2.92Å; M5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | G | 61.8 | Low | 64.7 | Low | 44 Ų | 44 | 104.6 Ų | 104.6 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.6 | -58.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L8 L9 H10 | G6-L8 VanDerWaalsContact C-N 3.28Å; G6-L8 PolarHBondContact O-N 3.43Å; G6-L9 PolarHBondContact O-N 2.68Å; G6-H10 PolarHBondContact O-CD2 3.31Å; G6-H10 PolarHBondContact O-N 2.7Å |
| 7 | P | 69.2 | Low | 65.1 | Low | 93 Ų | 93 | 101.2 Ų | 101.2 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -29.6 | -178.3 | 25 | -33.8 | 0 | 0 | 0 | 113 | W11 | P7-W11 WeakPolarHBondContact O-CB 3.32Å; P7-W11 PolarHBondContact O-N 2.91Å |
| 8 | L | 65.1 | Low | 65.6 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.7 | -33.1 | 179.1 | -159.5 | 146.4 | 0 | 0 | 0 | 111.8 | M5 G6 L12 | M5-L8 PolarHBondContact O-N 3.37Å; G6-L8 VanDerWaalsContact C-N 3.28Å; G6-L8 PolarHBondContact O-N 3.43Å; L8-L12 HydrophobicContact CD2-CD1 3.88Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.44Å |
| 9 | L | 68.5 | Low | 66 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 52% | 0.518 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.8 | -36.8 | 178.1 | -149.2 | 142.1 | 0 | 0 | 0 | 112.1 | M5 G6 L12 Q13 | M5-L9 WeakPolarHBondContact O-CB 3.27Å; M5-L9 PolarHBondContact O-N 2.92Å; M5-L9 VanDerWaalsContact O-N 3.09Å; G6-L9 PolarHBondContact O-N 2.68Å; L9-L12 PolarHBondContact O-N 2.92Å; L9-Q13 WeakPolarHBondContact O-CG 3.42Å; L9-Q13 PolarHBondContact O-N 3.22Å |
| 10 | H | 67.8 | Low | 66.4 | Low | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -42.4 | 169.9 | -77.9 | -60.4 | 0 | 0 | 0 | 112.4 | G6 L12 Q13 D14 | G6-H10 PolarHBondContact O-CD2 3.31Å; G6-H10 PolarHBondContact O-N 2.7Å; H10-L12 VanDerWaalsContact C-N 3.29Å; H10-L12 PolarHBondContact O-N 3.34Å; H10-Q13 PolarHBondContact ND1-OE1 3.42Å; H10-Q13 WeakPolarHBondContact O-CB 3.25Å; H10-Q13 PolarHBondContact O-N 2.93Å; H10-D14 PolarHBondContact O-N 3.35Å |
| 11 | W | 71 | Confident | 66.6 | Low | 166 Ų | 166 | 103 Ų | 103 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.6 | -39.9 | 174.1 | -177 | 82.6 | 0 | 0 | 0 | 112.1 | P7 D14 V15 | P7-W11 WeakPolarHBondContact O-CB 3.32Å; P7-W11 PolarHBondContact O-N 2.91Å; W11-D14 PolarHBondContact O-N 2.95Å; W11-V15 HydrophobicContact CD2-CG2 4.03Å; W11-V15 HydrophobicContact CE3-CG2 4.38Å; W11-V15 HydrophobicContact CH2-CG2 4.31Å; W11-V15 HydrophobicContact CZ2-CG2 3.95Å; W11-V15 WeakPolarHBondContact O-CB 3.38Å; W11-V15 VanDerWaalsContact O-CG2 3.25Å; W11-V15 WeakPolarHBondContact O-CG2 3.33Å; W11-V15 PolarHBondContact O-N 3.4Å |
| 12 | L | 74.4 | Confident | 68 | Low | 93 Ų | 93 | 98 Ų | 98 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63 | -38.5 | 172 | -81.5 | 167 | 0 | 0 | 0 | 112.9 | L8 L9 H10 A16 | L8-L12 HydrophobicContact CD2-CD1 3.88Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 2.92Å; H10-L12 VanDerWaalsContact C-N 3.29Å; H10-L12 PolarHBondContact O-N 3.34Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.99Å |
| 13 | Q | 74.9 | Confident | 69.3 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.3 | -76.6 | 179.5 | -35.7 | 0 | 0 | 112.4 | L9 H10 A16 A17 | L9-Q13 WeakPolarHBondContact O-CG 3.42Å; L9-Q13 PolarHBondContact O-N 3.22Å; H10-Q13 PolarHBondContact ND1-OE1 3.42Å; H10-Q13 WeakPolarHBondContact O-CB 3.25Å; H10-Q13 PolarHBondContact O-N 2.93Å; Q13-A16 PolarHBondContact O-N 2.89Å; Q13-A17 WeakPolarHBondContact O-CB 3.16Å; Q13-A17 PolarHBondContact O-N 2.9Å |
| 14 | D | 70.9 | Confident | 70.7 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 57% | 0.572 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -42 | 178.5 | -72.4 | -27.2 | 0 | 0 | 0 | 111.6 | H10 W11 A16 A17 V18 | H10-D14 PolarHBondContact O-N 3.35Å; W11-D14 PolarHBondContact O-N 2.95Å; D14-A16 VanDerWaalsContact C-N 3.34Å; D14-A16 PolarHBondContact O-N 3.46Å; D14-A17 PolarHBondContact O-N 2.86Å; D14-V18 WeakPolarHBondContact O-CB 3.35Å; D14-V18 WeakPolarHBondContact O-CG2 3.48Å; D14-V18 PolarHBondContact O-N 3.44Å |
| 15 | V | 76.7 | Confident | 71.9 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 35% | 0.345 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | W11 T19 | W11-V15 HydrophobicContact CD2-CG2 4.03Å; W11-V15 HydrophobicContact CE3-CG2 4.38Å; W11-V15 HydrophobicContact CH2-CG2 4.31Å; W11-V15 HydrophobicContact CZ2-CG2 3.95Å; W11-V15 WeakPolarHBondContact O-CB 3.38Å; W11-V15 VanDerWaalsContact O-CG2 3.25Å; W11-V15 WeakPolarHBondContact O-CG2 3.33Å; W11-V15 PolarHBondContact O-N 3.4Å; V15-T19 HydrophobicContact CG1-CG2 4.27Å; V15-T19 VanDerWaalsContact O-CB 3.29Å; V15-T19 WeakPolarHBondContact O-CB 3.27Å; V15-T19 VanDerWaalsContact O-CG2 3.25Å; V15-T19 WeakPolarHBondContact O-CG2 3.3Å; V15-T19 PolarHBondContact O-N 2.97Å; V15-T19 PolarHBondContact O-OG1 3.01Å |
| 16 | A | 72.8 | Confident | 73.1 | Confident | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 Q13 D14 T19 F20 | L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 2.99Å; Q13-A16 PolarHBondContact O-N 2.89Å; D14-A16 VanDerWaalsContact C-N 3.34Å; D14-A16 PolarHBondContact O-N 3.46Å; A16-T19 WeakPolarHBondContact CA-OG1 3.34Å; A16-T19 PolarHBondContact O-OG1 3.24Å; A16-T19 VanDerWaalsContact O-OG1 3.09Å; A16-F20 WeakPolarHBondContact O-CB 3.3Å; A16-F20 PolarHBondContact O-N 2.67Å |
| 17 | A | 71.9 | Confident | 74.3 | Confident | 46 Ų | 46 | 104.5 Ų | 104.5 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q13 D14 F20 H21 | Q13-A17 WeakPolarHBondContact O-CB 3.16Å; Q13-A17 PolarHBondContact O-N 2.9Å; D14-A17 PolarHBondContact O-N 2.86Å; A17-F20 PolarHBondContact O-N 2.94Å; A17-H21 PolarHBondContact O-CD2 3.09Å; A17-H21 VanDerWaalsContact O-CD2 3.23Å; A17-H21 PolarHBondContact O-N 2.74Å |
| 18 | V | 74.1 | Confident | 75.1 | Confident | 100 Ų | 100 | 105.6 Ų | 105.6 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 178.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | D14 K22 | D14-V18 WeakPolarHBondContact O-CB 3.35Å; D14-V18 WeakPolarHBondContact O-CG2 3.48Å; D14-V18 PolarHBondContact O-N 3.44Å; V18-K22 VanDerWaalsContact O-CB 3.29Å; V18-K22 WeakPolarHBondContact O-CB 3.43Å; V18-K22 PolarHBondContact O-N 3.47Å |
| 19 | T | 72.8 | Confident | 76.1 | Confident | 79 Ų | 79 | 105 Ų | 105 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 112 | V15 A16 K22 A23 | V15-T19 HydrophobicContact CG1-CG2 4.27Å; V15-T19 VanDerWaalsContact O-CB 3.29Å; V15-T19 WeakPolarHBondContact O-CB 3.27Å; V15-T19 VanDerWaalsContact O-CG2 3.25Å; V15-T19 WeakPolarHBondContact O-CG2 3.3Å; V15-T19 PolarHBondContact O-N 2.97Å; V15-T19 PolarHBondContact O-OG1 3.01Å; A16-T19 WeakPolarHBondContact CA-OG1 3.34Å; A16-T19 PolarHBondContact O-OG1 3.24Å; A16-T19 VanDerWaalsContact O-OG1 3.09Å; T19-K22 PolarHBondContact O-N 2.97Å; T19-A23 WeakPolarHBondContact O-CB 3.37Å; T19-A23 PolarHBondContact O-N 2.88Å |
| 20 | F | 74.8 | Confident | 77 | Confident | 134 Ų | 134 | 102.9 Ų | 102.9 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 174.7 | -176.4 | -102 | 0 | 0 | 0 | 112.5 | A16 A17 A23 R24 | A16-F20 WeakPolarHBondContact O-CB 3.3Å; A16-F20 PolarHBondContact O-N 2.67Å; A17-F20 PolarHBondContact O-N 2.94Å; F20-A23 PolarHBondContact O-N 3.15Å; F20-R24 VanDerWaalsContact O-CB 3.31Å; F20-R24 WeakPolarHBondContact O-CB 3.47Å; F20-R24 PolarHBondContact O-N 3.31Å |
| 21 | H | 70.1 | Confident | 78.1 | Confident | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 174.4 | -83.1 | -73.8 | 0 | 0 | 0 | 112.5 | A17 R25 | A17-H21 PolarHBondContact O-CD2 3.09Å; A17-H21 VanDerWaalsContact O-CD2 3.23Å; A17-H21 PolarHBondContact O-N 2.74Å; H21-R25 PolarHBondContact O-N 3.32Å; H21-R25 VanDerWaalsContact O-N 3.11Å |
| 22 | K | 76.9 | Confident | 79 | Confident | 153 Ų | 153 | 97.3 Ų | 97.3 | 67% | 0.665 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 176.4 | -164.1 | 171.7 | -176.1 | 178.2 | 0 | 111.5 | V18 T19 R25 T26 | V18-K22 VanDerWaalsContact O-CB 3.29Å; V18-K22 WeakPolarHBondContact O-CB 3.43Å; V18-K22 PolarHBondContact O-N 3.47Å; T19-K22 PolarHBondContact O-N 2.97Å; K22-R25 PolarHBondContact O-N 3.16Å; K22-T26 WeakPolarHBondContact O-CG2 3.3Å; K22-T26 PolarHBondContact O-N 3.42Å; K22-T26 PolarHBondContact O-OG1 2.96Å; K22-T26 VanDerWaalsContact O-OG1 3.11Å |
| 23 | A | 78.1 | Confident | 79.7 | Confident | 41 Ų | 41 | 98.1 Ų | 98.1 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T19 F20 R25 T26 L27 | T19-A23 WeakPolarHBondContact O-CB 3.37Å; T19-A23 PolarHBondContact O-N 2.88Å; F20-A23 PolarHBondContact O-N 3.15Å; A23-R25 VanDerWaalsContact C-N 3.31Å; A23-R25 PolarHBondContact O-N 3.15Å; A23-T26 WeakPolarHBondContact CA-OG1 3.44Å; A23-T26 PolarHBondContact O-N 2.66Å; A23-T26 PolarHBondContact O-OG1 3.47Å; A23-T26 VanDerWaalsContact O-OG1 3.08Å; A23-L27 VanDerWaalsContact O-CB 3.23Å; A23-L27 WeakPolarHBondContact O-CB 3.41Å; A23-L27 WeakPolarHBondContact O-CG 3.5Å; A23-L27 PolarHBondContact O-N 2.82Å |
| 24 | R | 81.1 | Confident | 80.6 | Confident | 140 Ų | 140 | 99.7 Ų | 99.7 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.1 | -172.8 | 172.6 | -178.4 | -165.8 | -3.4 | 111.5 | F20 F28 | F20-R24 VanDerWaalsContact O-CB 3.31Å; F20-R24 WeakPolarHBondContact O-CB 3.47Å; F20-R24 PolarHBondContact O-N 3.31Å; R24-F28 HydrophobicContact CG-CD2 3.93Å; R24-F28 HydrophobicContact CG-CE2 3.59Å; R24-F28 WeakPolarHBondContact O-CD2 3.42Å; R24-F28 PolarHBondContact O-N 2.81Å |
| 25 | R | 81 | Confident | 81.7 | Confident | 176 Ų | 176 | 97.8 Ų | 97.8 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.8 | -45.4 | 176 | -173 | 175.6 | -179.7 | 175.3 | 1.4 | 112.3 | H21 K22 A23 F28 Q29 | H21-R25 PolarHBondContact O-N 3.32Å; H21-R25 VanDerWaalsContact O-N 3.11Å; K22-R25 PolarHBondContact O-N 3.16Å; A23-R25 VanDerWaalsContact C-N 3.31Å; A23-R25 PolarHBondContact O-N 3.15Å; R25-F28 PolarHBondContact O-N 2.96Å; R25-Q29 WeakPolarHBondContact O-CG 3.43Å; R25-Q29 PolarHBondContact O-N 3.42Å |
| 26 | T | 80.6 | Confident | 82.4 | Confident | 74 Ų | 74 | 98 Ų | 98 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | K22 A23 Q29 A30 | K22-T26 WeakPolarHBondContact O-CG2 3.3Å; K22-T26 PolarHBondContact O-N 3.42Å; K22-T26 PolarHBondContact O-OG1 2.96Å; K22-T26 VanDerWaalsContact O-OG1 3.11Å; A23-T26 WeakPolarHBondContact CA-OG1 3.44Å; A23-T26 PolarHBondContact O-N 2.66Å; A23-T26 PolarHBondContact O-OG1 3.47Å; A23-T26 VanDerWaalsContact O-OG1 3.08Å; T26-Q29 PolarHBondContact O-N 3.13Å; T26-A30 WeakPolarHBondContact O-CB 3.47Å; T26-A30 PolarHBondContact O-N 3.31Å |
| 27 | L | 87.3 | Confident | 83.4 | Confident | 121 Ų | 121 | 99.5 Ų | 99.5 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 173 | -76.2 | 167.5 | 0 | 0 | 0 | 111.6 | A23 A30 A31 | A23-L27 VanDerWaalsContact O-CB 3.23Å; A23-L27 WeakPolarHBondContact O-CB 3.41Å; A23-L27 WeakPolarHBondContact O-CG 3.5Å; A23-L27 PolarHBondContact O-N 2.82Å; L27-A30 PolarHBondContact O-N 3.48Å; L27-A31 VanDerWaalsContact O-CB 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.49Å; L27-A31 PolarHBondContact O-N 3.09Å |
| 28 | F | 87.4 | Confident | 84.5 | Confident | 116 Ų | 116 | 100 Ų | 100 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.4 | -77.2 | -54 | 0 | 0 | 0 | 112.4 | R24 R25 A31 I32 | R24-F28 HydrophobicContact CG-CD2 3.93Å; R24-F28 HydrophobicContact CG-CE2 3.59Å; R24-F28 WeakPolarHBondContact O-CD2 3.42Å; R24-F28 PolarHBondContact O-N 2.81Å; R25-F28 PolarHBondContact O-N 2.96Å; F28-A31 PolarHBondContact O-N 2.91Å; F28-I32 WeakPolarHBondContact O-CB 3.27Å; F28-I32 WeakPolarHBondContact O-CD1 3.18Å; F28-I32 VanDerWaalsContact O-CG1 3.23Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 2.88Å |
| 29 | Q | 84.5 | Confident | 85.5 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176 | -73.6 | 176.5 | -44.6 | 0 | 0 | 112.1 | R25 T26 I32 L33 | R25-Q29 WeakPolarHBondContact O-CG 3.43Å; R25-Q29 PolarHBondContact O-N 3.42Å; T26-Q29 PolarHBondContact O-N 3.13Å; Q29-I32 PolarHBondContact O-N 2.94Å; Q29-L33 WeakPolarHBondContact O-CB 3.27Å; Q29-L33 WeakPolarHBondContact O-CG 3.38Å; Q29-L33 PolarHBondContact O-N 3.18Å |
| 30 | A | 87.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T26 L27 L33 F34 | T26-A30 WeakPolarHBondContact O-CB 3.47Å; T26-A30 PolarHBondContact O-N 3.31Å; L27-A30 PolarHBondContact O-N 3.48Å; A30-L33 PolarHBondContact O-N 3.07Å; A30-F34 VanDerWaalsContact O-CB 3.24Å; A30-F34 WeakPolarHBondContact O-CB 3.18Å; A30-F34 PolarHBondContact O-N 3.47Å |
| 31 | A | 91 | Very high | 87.5 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 F28 C35 | L27-A31 VanDerWaalsContact O-CB 3.24Å; L27-A31 WeakPolarHBondContact O-CB 3.49Å; L27-A31 PolarHBondContact O-N 3.09Å; F28-A31 PolarHBondContact O-N 2.91Å; A31-C35 VanDerWaalsContact O-CB 3.22Å; A31-C35 WeakPolarHBondContact O-CB 3.09Å; A31-C35 PolarHBondContact O-N 2.66Å |
| 32 | I | 89.6 | Confident | 88.8 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -48.1 | 173.7 | -69.4 | 163.7 | 0 | 0 | 0 | 110.2 | F28 Q29 F34 C35 T36 | F28-I32 WeakPolarHBondContact O-CB 3.27Å; F28-I32 WeakPolarHBondContact O-CD1 3.18Å; F28-I32 VanDerWaalsContact O-CG1 3.23Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 2.88Å; Q29-I32 PolarHBondContact O-N 2.94Å; I32-F34 PolarHBondContact O-N 3.37Å; I32-C35 PolarHBondContact O-N 2.91Å; I32-T36 WeakPolarHBondContact O-CG2 3.34Å; I32-T36 PolarHBondContact O-N 3.06Å; I32-T36 PolarHBondContact O-OG1 3.43Å |
| 33 | L | 90.1 | Very high | 89.8 | Confident | 110 Ų | 110 | 93.4 Ų | 93.4 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 176.4 | -77 | 170.8 | 0 | 0 | 0 | 112.3 | Q29 A30 T36 L37 | Q29-L33 WeakPolarHBondContact O-CB 3.27Å; Q29-L33 WeakPolarHBondContact O-CG 3.38Å; Q29-L33 PolarHBondContact O-N 3.18Å; A30-L33 PolarHBondContact O-N 3.07Å; L33-T36 WeakPolarHBondContact CA-OG1 3.18Å; L33-T36 PolarHBondContact O-N 3.5Å; L33-T36 PolarHBondContact O-OG1 3.04Å; L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 WeakPolarHBondContact O-CG 3.24Å; L33-L37 PolarHBondContact O-N 3.32Å |
| 34 | F | 92.6 | Very high | 90.6 | Very high | 141 Ų | 141 | 91.5 Ų | 91.5 | 62% | 0.618 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 176.3 | -179 | -101.3 | 0 | 0 | 0 | 111.2 | A30 I32 T36 L37 C38 | A30-F34 VanDerWaalsContact O-CB 3.24Å; A30-F34 WeakPolarHBondContact O-CB 3.18Å; A30-F34 PolarHBondContact O-N 3.47Å; I32-F34 PolarHBondContact O-N 3.37Å; F34-T36 PolarHBondContact O-N 2.66Å; F34-L37 PolarHBondContact O-N 2.72Å; F34-C38 PolarHBondContact O-N 2.59Å; F34-C38 PolarHBondContact O-SG 2.86Å; F34-C38 VanDerWaalsContact O-SG 3.34Å |
| 35 | C | 94.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 89 Ų | 89 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 175.4 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | A31 I32 L37 C38 L39 | A31-C35 VanDerWaalsContact O-CB 3.22Å; A31-C35 WeakPolarHBondContact O-CB 3.09Å; A31-C35 PolarHBondContact O-N 2.66Å; I32-C35 PolarHBondContact O-N 2.91Å; C35-L37 PolarHBondContact O-N 3.46Å; C35-C38 PolarHBondContact O-N 2.82Å; C35-L39 WeakPolarHBondContact O-CG 3.31Å; C35-L39 PolarHBondContact O-N 2.84Å |
| 36 | T | 91.7 | Very high | 92.1 | Very high | 61 Ų | 61 | 86.5 Ų | 86.5 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | I32 L33 F34 L39 L40 | I32-T36 WeakPolarHBondContact O-CG2 3.34Å; I32-T36 PolarHBondContact O-N 3.06Å; I32-T36 PolarHBondContact O-OG1 3.43Å; L33-T36 WeakPolarHBondContact CA-OG1 3.18Å; L33-T36 PolarHBondContact O-N 3.5Å; L33-T36 PolarHBondContact O-OG1 3.04Å; F34-T36 PolarHBondContact O-N 2.66Å; T36-L39 PolarHBondContact O-N 2.88Å; T36-L40 WeakPolarHBondContact O-CB 3.34Å; T36-L40 WeakPolarHBondContact O-CG 3.46Å; T36-L40 PolarHBondContact O-N 2.88Å |
| 37 | L | 93.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 86.9 Ų | 86.9 | 44% | 0.44 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 175.1 | -67.6 | 168.2 | 0 | 0 | 0 | 112.1 | L33 F34 C35 L40 L41 F242 | L33-L37 WeakPolarHBondContact O-CB 3.39Å; L33-L37 WeakPolarHBondContact O-CG 3.24Å; L33-L37 PolarHBondContact O-N 3.32Å; F34-L37 PolarHBondContact O-N 2.72Å; C35-L37 PolarHBondContact O-N 3.46Å; L37-L40 PolarHBondContact O-N 2.92Å; L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 PolarHBondContact O-N 2.86Å; L37-F242 HydrophobicContact CD2-CE2 4.44Å; L37-F242 HydrophobicContact CD2-CZ 3.86Å |
| 38 | C | 94.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 82.4 Ų | 82.4 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 174.2 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | F34 C35 L41 W42 | F34-C38 PolarHBondContact O-N 2.59Å; F34-C38 PolarHBondContact O-SG 2.86Å; F34-C38 VanDerWaalsContact O-SG 3.34Å; C35-C38 PolarHBondContact O-N 2.82Å; C38-L41 PolarHBondContact O-N 3.07Å; C38-W42 WeakPolarHBondContact O-CB 3.37Å; C38-W42 PolarHBondContact O-N 2.81Å |
| 39 | L | 94.7 | Very high | 93.4 | Very high | 103 Ų | 103 | 78.5 Ų | 78.5 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.9 | -70.6 | 172.7 | 0 | 0 | 0 | 111.8 | C35 T36 L41 W42 V43 | C35-L39 WeakPolarHBondContact O-CG 3.31Å; C35-L39 PolarHBondContact O-N 2.84Å; T36-L39 PolarHBondContact O-N 2.88Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L41 PolarHBondContact O-N 3.25Å; L39-W42 PolarHBondContact O-N 2.87Å; L39-V43 WeakPolarHBondContact O-CG2 3.28Å; L39-V43 PolarHBondContact O-N 2.86Å |
| 40 | L | 95.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 76.4 Ų | 76.4 | 17% | 0.168 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 175.6 | -72.7 | 166.8 | 0 | 0 | 0 | 111.8 | T36 L37 S44 F242 L245 A249 | T36-L40 WeakPolarHBondContact O-CB 3.34Å; T36-L40 WeakPolarHBondContact O-CG 3.46Å; T36-L40 PolarHBondContact O-N 2.88Å; L37-L40 PolarHBondContact O-N 2.92Å; L40-S44 VanDerWaalsContact O-CB 3.22Å; L40-S44 WeakPolarHBondContact O-CB 3.29Å; L40-S44 PolarHBondContact O-N 3.22Å; L40-F242 HydrophobicContact CB-CD2 4.1Å; L40-F242 HydrophobicContact CB-CE2 3.91Å; L40-L245 HydrophobicContact CD2-CB 3.74Å; L40-A249 HydrophobicContact CD1-CB 4.28Å; L40-A249 HydrophobicContact CD2-CB 4.44Å |
| 41 | L | 95.8 | Very high | 94 | Very high | 86 Ų | 86 | 78.3 Ų | 78.3 | 45% | 0.45 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 175.7 | 179.8 | 142.6 | 0 | 0 | 0 | 111.7 | L37 C38 L39 S44 I45 F242 | L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 PolarHBondContact O-N 2.86Å; C38-L41 PolarHBondContact O-N 3.07Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L41 PolarHBondContact O-N 3.25Å; L41-S44 WeakPolarHBondContact O-CB 3.25Å; L41-S44 PolarHBondContact O-N 3.22Å; L41-I45 HydrophobicContact CD2-CD1 3.58Å; L41-I45 HydrophobicContact CG-CD1 4.2Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 2.7Å; L41-F242 HydrophobicContact CB-CD2 4.21Å; L41-F242 HydrophobicContact CB-CE2 4.22Å |
| 42 | W | 97.1 | Very high | 94.1 | Very high | 172 Ų | 172 | 79.3 Ų | 79.3 | 65% | 0.652 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -46.8 | 176.4 | -172.6 | 88.4 | 0 | 0 | 0 | 112.1 | C38 L39 S44 I45 F46 | C38-W42 WeakPolarHBondContact O-CB 3.37Å; C38-W42 PolarHBondContact O-N 2.81Å; L39-W42 PolarHBondContact O-N 2.87Å; W42-S44 VanDerWaalsContact C-N 3.33Å; W42-S44 PolarHBondContact O-N 2.85Å; W42-I45 PolarHBondContact O-N 3.36Å; W42-F46 WeakPolarHBondContact O-CB 3.34Å; W42-F46 PolarHBondContact O-N 2.82Å |
| 43 | V | 96.4 | Very high | 94 | Very high | 64 Ų | 64 | 83.8 Ų | 83.8 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L39 F46 L47 L245 | L39-V43 WeakPolarHBondContact O-CG2 3.28Å; L39-V43 PolarHBondContact O-N 2.86Å; V43-F46 PolarHBondContact O-N 2.81Å; V43-L47 VanDerWaalsContact O-CB 3.31Å; V43-L47 WeakPolarHBondContact O-CB 3.49Å; V43-L47 PolarHBondContact O-N 2.63Å; V43-L245 HydrophobicContact CB-CD1 4.33Å; V43-L245 HydrophobicContact CG1-CD1 3.83Å |
| 44 | S | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | L40 L41 W42 L47 Y48 V238 N241 F242 | L40-S44 VanDerWaalsContact O-CB 3.22Å; L40-S44 WeakPolarHBondContact O-CB 3.29Å; L40-S44 PolarHBondContact O-N 3.22Å; L41-S44 WeakPolarHBondContact O-CB 3.25Å; L41-S44 PolarHBondContact O-N 3.22Å; W42-S44 VanDerWaalsContact C-N 3.33Å; W42-S44 PolarHBondContact O-N 2.85Å; S44-L47 PolarHBondContact O-N 2.03Å; S44-Y48 PolarHBondContact O-N 2.86Å; S44-V238 PolarHBondContact OG-O 3.35Å; S44-N241 WeakPolarHBondContact OG-CB 3.46Å; S44-F242 PolarHBondContact OG-N 2.9Å |
| 45 | I | 95.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 80.6 Ų | 80.6 | 45% | 0.446 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.4 | -69 | 169 | 0 | 0 | 0 | 110.6 | L41 W42 L47 Y48 G49 V238 | L41-I45 HydrophobicContact CD2-CD1 3.58Å; L41-I45 HydrophobicContact CG-CD1 4.2Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 2.7Å; W42-I45 PolarHBondContact O-N 3.36Å; I45-L47 VanDerWaalsContact C-N 3.33Å; I45-L47 PolarHBondContact O-N 3.24Å; I45-Y48 PolarHBondContact O-N 2.9Å; I45-G49 PolarHBondContact O-N 2.8Å; I45-V238 HydrophobicContact CG1-CG1 3.86Å; I45-V238 HydrophobicContact CG1-CG2 4.07Å |
| 46 | F | 96.1 | Very high | 93.4 | Very high | 125 Ų | 125 | 78.4 Ų | 78.4 | 55% | 0.548 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 177.9 | -179.6 | -95.7 | 0 | 0 | 0 | 112.2 | W42 V43 G49 S50 | W42-F46 WeakPolarHBondContact O-CB 3.34Å; W42-F46 PolarHBondContact O-N 2.82Å; V43-F46 PolarHBondContact O-N 2.81Å; F46-G49 PolarHBondContact O-N 2.82Å; F46-S50 WeakPolarHBondContact O-CB 3.4Å; F46-S50 PolarHBondContact O-N 2.81Å; F46-S50 PolarHBondContact O-OG 3.33Å |
| 47 | L | 94.9 | Very high | 93 | Very high | 82 Ų | 82 | 76.6 Ų | 76.6 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 177.7 | -174.7 | 62.7 | 0 | 0 | 0 | 111.7 | V43 S44 I45 F51 N241 | V43-L47 VanDerWaalsContact O-CB 3.31Å; V43-L47 WeakPolarHBondContact O-CB 3.49Å; V43-L47 PolarHBondContact O-N 2.63Å; S44-L47 PolarHBondContact O-N 2.03Å; I45-L47 VanDerWaalsContact C-N 3.33Å; I45-L47 PolarHBondContact O-N 3.24Å; L47-F51 WeakPolarHBondContact O-CB 3.41Å; L47-F51 PolarHBondContact O-N 3.23Å; L47-N241 HydrophobicContact CD2-CB 4.44Å |
| 48 | Y | 94.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 75.9 Ų | 75.9 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 174 | 175.6 | -95.5 | 0 | 0 | 0 | 111.9 | S44 I45 S50 F51 Y52 S233 A234 V238 | S44-Y48 PolarHBondContact O-N 2.86Å; I45-Y48 PolarHBondContact O-N 2.9Å; Y48-S50 VanDerWaalsContact C-N 3.35Å; Y48-S50 PolarHBondContact O-N 2.94Å; Y48-F51 PolarHBondContact O-N 2.88Å; Y48-Y52 HydrophobicContact CE1-CD2 4.48Å; Y48-Y52 WeakPolarHBondContact O-CB 3.45Å; Y48-Y52 PolarHBondContact O-N 2.83Å; Y48-S233 PolarHBondContact OH-OG 2.98Å; Y48-A234 HydrophobicContact CD1-CB 4.39Å; Y48-A234 HydrophobicContact CE1-CB 3.66Å; Y48-A234 VanDerWaalsContact CZ-CA 3.45Å; Y48-A234 PolarHBondContact OH-N 2.8Å; Y48-V238 HydrophobicContact CD1-CG2 4.36Å; Y48-V238 HydrophobicContact CG-CG2 4.15Å |
| 49 | G | 93.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 75.7 Ų | 75.7 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I45 F46 Y52 Y53 | I45-G49 PolarHBondContact O-N 2.8Å; F46-G49 PolarHBondContact O-N 2.82Å; G49-Y52 PolarHBondContact O-N 2.89Å; G49-Y53 WeakPolarHBondContact O-CB 3.24Å; G49-Y53 PolarHBondContact O-N 2.97Å |
| 50 | S | 94.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 74.2 Ų | 74.2 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | F46 Y48 S54 | F46-S50 WeakPolarHBondContact O-CB 3.4Å; F46-S50 PolarHBondContact O-N 2.81Å; F46-S50 PolarHBondContact O-OG 3.33Å; Y48-S50 VanDerWaalsContact C-N 3.35Å; Y48-S50 PolarHBondContact O-N 2.94Å; S50-S54 VanDerWaalsContact O-CB 3.24Å; S50-S54 WeakPolarHBondContact O-CB 3.4Å; S50-S54 PolarHBondContact O-N 3.38Å |
| 51 | F | 92.8 | Very high | 90.8 | Very high | 95 Ų | 95 | 75.3 Ų | 75.3 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 173.5 | 168.9 | -102.5 | 0 | 0 | 0 | 111.6 | L47 Y48 Y53 S54 Y55 L226 | L47-F51 WeakPolarHBondContact O-CB 3.41Å; L47-F51 PolarHBondContact O-N 3.23Å; Y48-F51 PolarHBondContact O-N 2.88Å; F51-Y53 PolarHBondContact O-N 3.32Å; F51-S54 PolarHBondContact O-N 3.2Å; F51-Y55 HydrophobicContact CE1-CD1 4.41Å; F51-Y55 HydrophobicContact CE2-CD1 4.39Å; F51-Y55 HydrophobicContact CE2-CD2 4.42Å; F51-Y55 HydrophobicContact CE2-CG 4.02Å; F51-Y55 AromaticContact CZ-CD1 3.85Å; F51-Y55 HydrophobicContact CZ-CD1 3.85Å; F51-Y55 HydrophobicContact CZ-CE1 4.42Å; F51-Y55 AromaticContact CZ-CG 3.95Å; F51-Y55 HydrophobicContact CZ-CG 3.95Å; F51-Y55 WeakPolarHBondContact O-CB 3.32Å; F51-Y55 PolarHBondContact O-N 2.88Å; F51-L226 HydrophobicContact CE1-CD2 4.1Å |
| 52 | Y | 91.3 | Very high | 90.6 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.4 | -51.5 | -179.6 | -179 | -88 | 0 | 0 | 0 | 111 | Y48 G49 S54 Y55 M56 L226 | Y48-Y52 HydrophobicContact CE1-CD2 4.48Å; Y48-Y52 WeakPolarHBondContact O-CB 3.45Å; Y48-Y52 PolarHBondContact O-N 2.83Å; G49-Y52 PolarHBondContact O-N 2.89Å; Y52-S54 PolarHBondContact O-N 2.86Å; Y52-Y55 PolarHBondContact O-N 3.17Å; Y52-M56 HydrophobicContact CD2-CG 4.45Å; Y52-M56 HydrophobicContact CE2-CG 4.13Å; Y52-M56 VanDerWaalsContact O-CB 3.32Å; Y52-M56 WeakPolarHBondContact O-CB 3.18Å; Y52-M56 PolarHBondContact O-N 2.97Å; Y52-L226 HydrophobicContact CD2-CD2 3.84Å; Y52-L226 HydrophobicContact CD2-CG 4.28Å; Y52-L226 HydrophobicContact CE2-CB 4.37Å; Y52-L226 HydrophobicContact CE2-CD2 4.31Å; Y52-L226 HydrophobicContact CE2-CG 4.43Å |
| 53 | Y | 88.7 | Confident | 90.4 | Very high | 204 Ų | 204 | 67.4 Ų | 67.4 | 80% | 0.8 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | -179.4 | -169.4 | -94.7 | 0 | 0 | 0 | 113 | G49 F51 | G49-Y53 WeakPolarHBondContact O-CB 3.24Å; G49-Y53 PolarHBondContact O-N 2.97Å; F51-Y53 PolarHBondContact O-N 3.32Å |
| 54 | S | 88.8 | Confident | 90.3 | Very high | 108 Ų | 108 | 68 Ų | 68 | 76% | 0.755 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -76.3 | -25.9 | 177.6 | -174 | 0 | 0 | 0 | 0 | 113.5 | S50 F51 Y52 | S50-S54 VanDerWaalsContact O-CB 3.24Å; S50-S54 WeakPolarHBondContact O-CB 3.4Å; S50-S54 PolarHBondContact O-N 3.38Å; F51-S54 PolarHBondContact O-N 3.2Å; Y52-S54 PolarHBondContact O-N 2.86Å |
| 55 | Y | 87.7 | Confident | 90.3 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -99.3 | -29 | -173.7 | -174.9 | -111.5 | 0 | 0 | 0 | 113.6 | F51 Y52 P57 I222 R223 | F51-Y55 HydrophobicContact CE1-CD1 4.41Å; F51-Y55 HydrophobicContact CE2-CD1 4.39Å; F51-Y55 HydrophobicContact CE2-CD2 4.42Å; F51-Y55 HydrophobicContact CE2-CG 4.02Å; F51-Y55 AromaticContact CZ-CD1 3.85Å; F51-Y55 HydrophobicContact CZ-CD1 3.85Å; F51-Y55 HydrophobicContact CZ-CE1 4.42Å; F51-Y55 AromaticContact CZ-CG 3.95Å; F51-Y55 HydrophobicContact CZ-CG 3.95Å; F51-Y55 WeakPolarHBondContact O-CB 3.32Å; F51-Y55 PolarHBondContact O-N 2.88Å; Y52-Y55 PolarHBondContact O-N 3.17Å; Y55-P57 WeakPolarHBondContact O-CD 3.03Å; Y55-I222 HydrophobicContact CE1-CB 4.24Å; Y55-I222 HydrophobicContact CE1-CG2 4Å; Y55-R223 HydrophobicContact CD1-CG 4.02Å; Y55-R223 HydrophobicContact CE1-CB 4.47Å; Y55-R223 HydrophobicContact CE1-CG 3.33Å; Y55-R223 PolarHBondContact O-NE 3.38Å; Y55-R223 PolarHBondContact O-NH2 2.77Å |
| 56 | M | 86.7 | Confident | 90.3 | Very high | 21 Ų | 21 | 71 Ų | 71 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -86.1 | 115.9 | 175.9 | -86.1 | -64.4 | -164.5 | 0 | 0 | 112 | Y52 F219 R223 L226 | Y52-M56 HydrophobicContact CD2-CG 4.45Å; Y52-M56 HydrophobicContact CE2-CG 4.13Å; Y52-M56 VanDerWaalsContact O-CB 3.32Å; Y52-M56 WeakPolarHBondContact O-CB 3.18Å; Y52-M56 PolarHBondContact O-N 2.97Å; M56-F219 HydrophobicContact SD-CD1 4.43Å; M56-F219 HydrophobicContact SD-CE1 3.91Å; M56-F219 HydrophobicContact SD-CZ 4.11Å; M56-R223 HydrophobicContact CE-CB 4.21Å; M56-R223 WeakPolarHBondContact CE-O 3.47Å; M56-R223 HydrophobicContact SD-CB 4.38Å; M56-R223 HydrophobicContact SD-CG 4.38Å; M56-L226 HydrophobicContact CE-CB 3.46Å; M56-L226 VanDerWaalsContact CE-CB 3.46Å | ||
| 57 | P | 84.2 | Confident | 90.2 | Very high | 23 Ų | 23 | 67.3 Ų | 67.3 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -74.7 | 177.5 | 170.3 | 34.8 | -36.3 | 0 | 0 | 0 | 111.2 | Y55 V59 A100 Q103 F219 | Y55-P57 WeakPolarHBondContact O-CD 3.03Å; P57-V59 PolarHBondContact O-N 2.97Å; P57-A100 HydrophobicContact CB-CB 3.67Å; P57-Q103 HydrophobicContact CG-CG 4.22Å; P57-F219 HydrophobicContact CG-CE1 3.9Å | ||
| 58 | T | 79.4 | Confident | 90.1 | Very high | 69 Ų | 69 | 69.3 Ų | 69.3 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | trans | -48.3 | 120.2 | 167.7 | 41 | 0 | 0 | 0 | 0 | 111.8 | V98 Y105 | T58-V98 WeakPolarHBondContact CB-O 2.99Å; T58-V98 PolarHBondContact OG1-O 3.04Å; T58-Y105 PolarHBondContact OG1-OH 3.28Å | ||
| 59 | V | 81.1 | Confident | 89.9 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | trans | -84 | -45.9 | -164 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | P57 A217 F219 Y227 | P57-V59 PolarHBondContact O-N 2.97Å; V59-A217 PolarHBondContact O-N 3.43Å; V59-A217 VanDerWaalsContact O-N 3.12Å; V59-F219 HydrophobicContact CB-CZ 4.42Å; V59-F219 HydrophobicContact CG1-CE2 3.59Å; V59-F219 HydrophobicContact CG1-CZ 3.92Å; V59-Y227 HydrophobicContact CG1-CD2 3.5Å; V59-Y227 HydrophobicContact CG1-CE2 3.29Å | ||
| 60 | S | 84.6 | Confident | 89.5 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 51% | 0.51 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151.7 | 171.6 | 61 | 0 | 0 | 0 | 0 | 109.6 | I215 | S60-I215 CarbonylContact C-O 3.6Å; S60-I215 VanDerWaalsContact CA-O 3.27Å; S60-I215 WeakPolarHBondContact CA-O 3.38Å |
| 61 | F | 87.8 | Confident | 88.8 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.2 | 175.7 | -179.3 | -100.2 | 0 | 0 | 0 | 109 | T63 V98 I215 | F61-T63 HydrophobicContact CD1-CG2 4.27Å; F61-T63 HydrophobicContact CE1-CG2 3.29Å; F61-T63 HydrophobicContact CE2-CG2 4.33Å; F61-T63 HydrophobicContact CZ-CG2 3.32Å; F61-V98 HydrophobicContact CB-CG1 3.5Å; F61-V98 VanDerWaalsContact CB-CG1 3.5Å; F61-V98 HydrophobicContact CD1-CB 4.4Å; F61-V98 HydrophobicContact CD1-CG1 3.46Å; F61-V98 VanDerWaalsContact CD1-CG1 3.46Å; F61-V98 HydrophobicContact CD1-CG2 4.12Å; F61-V98 HydrophobicContact CD2-CG1 3.82Å; F61-V98 HydrophobicContact CD2-CG2 3.84Å; F61-V98 HydrophobicContact CE1-CB 4.47Å; F61-V98 HydrophobicContact CE1-CG1 3.98Å; F61-V98 HydrophobicContact CE1-CG2 3.81Å; F61-V98 HydrophobicContact CE2-CG1 4.34Å; F61-V98 HydrophobicContact CE2-CG2 3.55Å; F61-V98 HydrophobicContact CG-CB 4.37Å; F61-V98 HydrophobicContact CG-CG1 3.32Å; F61-V98 HydrophobicContact CG-CG2 4.1Å; F61-V98 HydrophobicContact CZ-CG1 4.39Å; F61-V98 HydrophobicContact CZ-CG2 3.51Å; F61-I215 HydrophobicContact CB-CB 4.43Å; F61-I215 HydrophobicContact CD1-CD1 4.25Å; F61-I215 PolarHBondContact N-O 3.48Å; F61-I215 PolarHBondContact O-N 2.94Å |
| 62 | S | 91.1 | Very high | 88.2 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.9 | 179.8 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | L213 | S62-L213 VanDerWaalsContact CA-O 3.3Å; S62-L213 WeakPolarHBondContact CA-O 3.47Å |
| 63 | T | 92.3 | Very high | 87.6 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 17% | 0.172 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.6 | 175.6 | 33.1 | 0 | 0 | 0 | 0 | 111.6 | F61 Q212 L213 | F61-T63 HydrophobicContact CD1-CG2 4.27Å; F61-T63 HydrophobicContact CE1-CG2 3.29Å; F61-T63 HydrophobicContact CE2-CG2 4.33Å; F61-T63 HydrophobicContact CZ-CG2 3.32Å; T63-Q212 CarbonylContact O-C 3.57Å; T63-Q212 VanDerWaalsContact O-CA 3.32Å; T63-Q212 WeakPolarHBondContact O-CA 3.49Å; T63-L213 PolarHBondContact N-O 3.37Å; T63-L213 PolarHBondContact O-N 3.33Å |
| 64 | P | 95.1 | Very high | 86.9 | Confident | 75 Ų | 75 | 76 Ų | 76 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 142.7 | 167.9 | 30.9 | -34.3 | 0 | 0 | 0 | 109.7 | ||
| 65 | V | 95.9 | Very high | 86 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.03 | 42% | 0.424 | C | S | . | . | trans | -113.5 | 108.4 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | F67 A86 I88 I199 A211 L213 | V65-F67 HydrophobicContact CG1-CE1 4.13Å; V65-F67 HydrophobicContact CG1-CE2 4.12Å; V65-F67 HydrophobicContact CG1-CZ 3.81Å; V65-A86 HydrophobicContact CG1-CB 3.34Å; V65-I88 HydrophobicContact CG2-CG2 4.29Å; V65-I199 HydrophobicContact CG1-CD1 3.97Å; V65-I199 HydrophobicContact CG2-CD1 4.06Å; V65-A211 HydrophobicContact CB-CB 3.88Å; V65-A211 HydrophobicContact CG1-CB 4.4Å; V65-A211 PolarHBondContact N-O 3.43Å; V65-L213 HydrophobicContact CG2-CB 3.85Å | ||
| 66 | H | 95.1 | Very high | 84.9 | Confident | 147 Ų | 147 | 78.3 Ų | 78.3 | 68% | 0.681 | 45% | 0.446 | S | S | * | . | trans | -96.4 | 110.4 | 179 | -62.7 | -69.5 | 0 | 0 | 0 | 109.7 | A86 | H66-A86 VanDerWaalsContact O-CB 3.28Å; H66-A86 WeakPolarHBondContact O-CB 3.28Å | ||
| 67 | F | 94.8 | Very high | 84 | Confident | 46 Ų | 46 | 85.4 Ų | 85.4 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | trans | -78.1 | 130.5 | 175.6 | -67.3 | -71.8 | 0 | 0 | 0 | 111.1 | V65 P84 T85 A86 I109 L111 I199 I201 I208 A211 | V65-F67 HydrophobicContact CG1-CE1 4.13Å; V65-F67 HydrophobicContact CG1-CE2 4.12Å; V65-F67 HydrophobicContact CG1-CZ 3.81Å; F67-P84 HydrophobicContact CB-CB 4.05Å; F67-P84 HydrophobicContact CD1-CB 4.04Å; F67-P84 HydrophobicContact CG-CB 4.16Å; F67-T85 WeakPolarHBondContact CA-O 3.48Å; F67-A86 HydrophobicContact CD1-CB 3.61Å; F67-A86 HydrophobicContact CE1-CB 3.78Å; F67-A86 HydrophobicContact CG-CB 4.27Å; F67-I109 HydrophobicContact CZ-CD1 4.42Å; F67-L111 HydrophobicContact CE2-CD2 4.3Å; F67-I199 HydrophobicContact CE1-CB 4.41Å; F67-I199 HydrophobicContact CE1-CG2 3.97Å; F67-I199 HydrophobicContact CZ-CG2 4.12Å; F67-I201 HydrophobicContact CE1-CD1 3.86Å; F67-I201 HydrophobicContact CE1-CG1 3.97Å; F67-I201 HydrophobicContact CE2-CD1 3.75Å; F67-I201 HydrophobicContact CZ-CD1 3.4Å; F67-I201 VanDerWaalsContact CZ-CD1 3.4Å; F67-I201 HydrophobicContact CZ-CG1 3.95Å; F67-I208 HydrophobicContact CE2-CD1 4.4Å; F67-A211 HydrophobicContact CD2-CB 4.38Å; F67-A211 HydrophobicContact CE2-CB 3.56Å; F67-A211 HydrophobicContact CZ-CB 4.31Å | ||
| 68 | Y | 93 | Very high | 83.1 | Confident | 124 Ų | 124 | 90.5 Ų | 90.5 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | B | Isolated β-bridge | trans | -110.8 | 158.3 | 164.7 | 61.9 | -91 | 0 | 0 | 0 | 109.7 | T85 N87 | Y68-T85 WeakPolarHBondContact CD1-O 3.43Å; Y68-T85 WeakPolarHBondContact CE1-O 3.36Å; Y68-T85 WeakPolarHBondContact CE2-OG1 3.3Å; Y68-T85 PolarHBondContact N-O 2.89Å; Y68-T85 PolarHBondContact O-N 3.21Å; Y68-T85 VanDerWaalsContact O-O 3.06Å; Y68-T85 PolarHBondContact O-OG1 2.83Å; Y68-N87 HydrophobicContact CE1-CB 4.44Å |
| 69 | Y | 89.7 | Confident | 82.8 | Confident | 140 Ų | 140 | 89.5 Ų | 89.5 | 55% | 0.549 | 52% | 0.516 | S | S | . | . | trans | -144.8 | 152.9 | 177.6 | 51.2 | -92.8 | 0 | 0 | 0 | 108.3 | L80 S82 | Y69-L80 HydrophobicContact CD1-CD2 3.77Å; Y69-L80 HydrophobicContact CD2-CD2 4.27Å; Y69-L80 HydrophobicContact CD2-CG 4.28Å; Y69-L80 HydrophobicContact CE1-CD2 4.35Å; Y69-L80 HydrophobicContact CG-CD2 3.73Å; Y69-L80 HydrophobicContact CG-CG 4.23Å; Y69-S82 WeakPolarHBondContact CA-OG 3.39Å; Y69-S82 WeakPolarHBondContact CB-OG 3.48Å | ||
| 70 | T | 86.1 | Confident | 82.7 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | trans | -85 | 150.3 | 173.3 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | C81 S82 | T70-C81 WeakPolarHBondContact O-CB 3.25Å; T70-S82 PolarHBondContact N-OG 3.14Å; T70-S82 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 71 | S | 79.6 | Confident | 82.6 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | trans | -105.7 | 5 | 178.3 | 46.6 | 0 | 0 | 0 | 0 | 113 | C73 C81 | S71-C73 PolarHBondContact O-N 3.02Å; S71-C81 VanDerWaalsContact C-SG 3.54Å | ||
| 72 | D | 78.9 | Confident | 82.6 | Confident | 138 Ų | 138 | 85.7 Ų | 85.7 | 74% | 0.738 | 49% | 0.494 | S | S | * | . | trans | -85.6 | 32.7 | -160.5 | -43 | -39.5 | 0 | 0 | 0 | 113.5 | ||||
| 73 | C | 79.1 | Confident | 82.7 | Confident | 59 Ų | 59 | 86 Ų | 86 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -112.5 | 159.4 | 178.1 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | S71 A75 C81 | S71-C73 PolarHBondContact O-N 3.02Å; C73-A75 PolarHBondContact O-N 2.83Å; C73-C81 HydrophobicContact CB-CB 3.52Å; C73-C81 WeakPolarHBondContact CB-SG 3.41Å; C73-C81 PolarHBondContact N-SG 2.81Å; C73-C81 VanDerWaalsContact N-SG 3.37Å; C73-C81 VanDerWaalsContact SG-CA 3.51Å; C73-C81 WeakPolarHBondContact SG-CB 3.31Å; C73-C81 CovalentContact SG-SG 2.03Å; C73-C81 PolarHBondContact SG-SG 3.02Å |
| 74 | D | 75 | Confident | 82.8 | Confident | 132 Ų | 132 | 85 Ų | 85 | 71% | 0.706 | 48% | 0.481 | S | S | * | . | trans | -53.8 | 124.6 | 175.7 | -72.7 | -43.8 | 0 | 0 | 0 | 111.7 | T76 | D74-T76 PolarHBondContact O-N 3.42Š| ||
| 75 | A | 68.1 | Low | 82.9 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 90% | 0.901 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 8.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | C73 K77 | C73-A75 PolarHBondContact O-N 2.83Å; A75-K77 VanDerWaalsContact C-N 3.32Å |
| 76 | T | 66.4 | Low | 82.9 | Confident | 122 Ų | 122 | 82.6 Ų | 82.6 | 75% | 0.748 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9.7 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | D74 | D74-T76 PolarHBondContact O-N 3.42Š|
| 77 | K | 66.2 | Low | 82.9 | Confident | 170 Ų | 170 | 79.7 Ų | 79.7 | 74% | 0.739 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -120.7 | 120.2 | -179.5 | -68 | 177.6 | -176.7 | 169.7 | 0 | 111.6 | A75 G79 | A75-K77 VanDerWaalsContact C-N 3.32Å; K77-G79 PolarHBondContact O-N 2.93Å |
| 78 | S | 65.3 | Low | 82.8 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 92% | 0.916 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -72.2 | 95.8 | 174.4 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 79 | G | 73.3 | Confident | 82.7 | Confident | 47 Ų | 47 | 75 Ų | 75 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 166.8 | 175 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K77 | K77-G79 PolarHBondContact O-N 2.93Š|
| 80 | L | 79.2 | Confident | 82.7 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | trans | -70.4 | 141.1 | 175.1 | -79.5 | 69.1 | 0 | 0 | 0 | 110.8 | Y69 P84 R204 | Y69-L80 HydrophobicContact CD1-CD2 3.77Å; Y69-L80 HydrophobicContact CD2-CD2 4.27Å; Y69-L80 HydrophobicContact CD2-CG 4.28Å; Y69-L80 HydrophobicContact CE1-CD2 4.35Å; Y69-L80 HydrophobicContact CG-CD2 3.73Å; Y69-L80 HydrophobicContact CG-CG 4.23Å; L80-P84 HydrophobicContact CD2-CG 3.85Å; L80-R204 HydrophobicContact CB-CB 4.44Å; L80-R204 PolarHBondContact N-O 2.81Å; L80-R204 WeakPolarHBondContact O-CB 3.26Å; L80-R204 VanDerWaalsContact O-CD 3.25Å; L80-R204 WeakPolarHBondContact O-CD 3.26Å; L80-R204 WeakPolarHBondContact O-CG 3.41Å | ||
| 81 | C | 82.9 | Confident | 82.6 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 17% | 0.169 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -69.8 | -55.5 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | T70 S71 C73 R204 | T70-C81 WeakPolarHBondContact O-CB 3.25Å; S71-C81 VanDerWaalsContact C-SG 3.54Å; C73-C81 HydrophobicContact CB-CB 3.52Å; C73-C81 WeakPolarHBondContact CB-SG 3.41Å; C73-C81 PolarHBondContact N-SG 2.81Å; C73-C81 VanDerWaalsContact N-SG 3.37Å; C73-C81 VanDerWaalsContact SG-CA 3.51Å; C73-C81 WeakPolarHBondContact SG-CB 3.31Å; C73-C81 CovalentContact SG-SG 2.03Å; C73-C81 PolarHBondContact SG-SG 3.02Å; C81-R204 PolarHBondContact O-NE 3.04Å; C81-R204 PolarHBondContact O-NH2 3.4Å |
| 82 | S | 88.4 | Confident | 82.7 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -91.5 | 169.5 | 175.8 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | Y69 T70 | Y69-S82 WeakPolarHBondContact CA-OG 3.39Å; Y69-S82 WeakPolarHBondContact CB-OG 3.48Å; T70-S82 PolarHBondContact N-OG 3.14Å; T70-S82 WeakPolarHBondContact OG1-CB 3.42Å |
| 83 | F | 93.1 | Very high | 82.6 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 31% | 0.307 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 144 | 158 | -62.8 | -54.8 | 0 | 0 | 0 | 109.5 | T85 E200 I201 H202 R204 | F83-T85 PolarHBondContact O-N 3.14Å; F83-E200 HydrophobicContact CB-CG 3.98Å; F83-E200 VanDerWaalsContact CD2-OE1 3.25Å; F83-E200 WeakPolarHBondContact CD2-OE1 3.32Å; F83-I201 WeakPolarHBondContact CB-O 3.42Å; F83-H202 AromaticContact CD2-ND1 3.86Å; F83-H202 AromaticContact CE2-ND1 4Å; F83-R204 HydrophobicContact CD1-CG 4.13Å; F83-R204 HydrophobicContact CE1-CG 4.13Å |
| 84 | P | 94.8 | Very high | 82.3 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 123.6 | 169 | -22.8 | 33.1 | 0 | 0 | 0 | 110.4 | F67 L80 E200 I201 S203 V206 | F67-P84 HydrophobicContact CB-CB 4.05Å; F67-P84 HydrophobicContact CD1-CB 4.04Å; F67-P84 HydrophobicContact CG-CB 4.16Å; L80-P84 HydrophobicContact CD2-CG 3.85Å; P84-E200 WeakPolarHBondContact O-CA 3.42Å; P84-I201 WeakPolarHBondContact CD-O 3.44Å; P84-I201 PolarHBondContact O-N 3.03Å; P84-S203 WeakPolarHBondContact CD-O 3.46Å; P84-V206 HydrophobicContact CG-CG1 4.19Å |
| 85 | T | 95.2 | Very high | 82.3 | Confident | 28 Ų | 28 | 74.3 Ų | 74.3 | 17% | 0.172 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.3 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | F67 Y68 F83 I199 E200 | F67-T85 WeakPolarHBondContact CA-O 3.48Å; Y68-T85 WeakPolarHBondContact CD1-O 3.43Å; Y68-T85 WeakPolarHBondContact CE1-O 3.36Å; Y68-T85 WeakPolarHBondContact CE2-OG1 3.3Å; Y68-T85 PolarHBondContact N-O 2.89Å; Y68-T85 PolarHBondContact O-N 3.21Å; Y68-T85 VanDerWaalsContact O-O 3.06Å; Y68-T85 PolarHBondContact O-OG1 2.83Å; F83-T85 PolarHBondContact O-N 3.14Å; T85-I199 CarbonylContact C-O 3.59Å; T85-I199 VanDerWaalsContact CA-O 3.31Å; T85-I199 WeakPolarHBondContact CA-O 3.34Å; T85-E200 HydrophobicContact CG2-CB 4.16Å; T85-E200 HydrophobicContact CG2-CG 3.94Å |
| 86 | A | 96.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V65 H66 F67 V198 I199 | V65-A86 HydrophobicContact CG1-CB 3.34Å; H66-A86 VanDerWaalsContact O-CB 3.28Å; H66-A86 WeakPolarHBondContact O-CB 3.28Å; F67-A86 HydrophobicContact CD1-CB 3.61Å; F67-A86 HydrophobicContact CE1-CB 3.78Å; F67-A86 HydrophobicContact CG-CB 4.27Å; A86-V198 CarbonylContact O-C 3.59Å; A86-V198 WeakPolarHBondContact O-CA 3.11Å; A86-I199 PolarHBondContact N-O 2.94Å; A86-I199 PolarHBondContact O-N 3.09Å |
| 87 | N | 94.9 | Very high | 83.7 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.4 | 173.3 | -170.7 | 9.8 | 0 | 0 | 0 | 108.8 | Y68 Y132 A197 | Y68-N87 HydrophobicContact CE1-CB 4.44Å; N87-Y132 WeakPolarHBondContact OD1-CE1 3.49Å; N87-Y132 PolarHBondContact OD1-OH 2.82Å; N87-A197 PolarHBondContact OD1-O 2.88Å |
| 88 | I | 93.1 | Very high | 84.6 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.8 | -176.4 | 53.2 | 167.2 | 0 | 0 | 0 | 111.1 | V65 F90 G196 A197 I199 L213 | V65-I88 HydrophobicContact CG2-CG2 4.29Å; I88-F90 HydrophobicContact CD1-CE1 3.76Å; I88-F90 HydrophobicContact CD1-CZ 4.22Å; I88-F90 HydrophobicContact CG1-CE1 4.31Å; I88-G196 CarbonylContact O-C 3.56Å; I88-G196 WeakPolarHBondContact O-CA 3.32Å; I88-A197 HydrophobicContact CG1-CB 4.32Å; I88-A197 WeakPolarHBondContact CG1-O 3.24Å; I88-A197 PolarHBondContact N-O 2.85Å; I88-A197 PolarHBondContact O-N 2.67Å; I88-I199 HydrophobicContact CD1-CD1 3.66Å; I88-I199 HydrophobicContact CD1-CG1 4.48Å; I88-I199 HydrophobicContact CG1-CD1 4.34Å; I88-L213 HydrophobicContact CD1-CB 4.19Å; I88-L213 HydrophobicContact CD1-CD2 3.54Å; I88-L213 HydrophobicContact CD1-CG 4.38Å |
| 89 | S | 91.1 | Very high | 85.7 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.8 | 172.1 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | M91 | S89-M91 VanDerWaalsContact C-N 3.31Å |
| 90 | F | 89.3 | Confident | 86.3 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | trans | -99.5 | 25.2 | 168.5 | -54.4 | -40.3 | 0 | 0 | 0 | 111.1 | I88 V98 M99 T194 V195 G196 A197 L213 I215 | I88-F90 HydrophobicContact CD1-CE1 3.76Å; I88-F90 HydrophobicContact CD1-CZ 4.22Å; I88-F90 HydrophobicContact CG1-CE1 4.31Å; F90-V98 HydrophobicContact CB-CB 4.33Å; F90-V98 WeakPolarHBondContact O-CB 3.22Å; F90-V98 VanDerWaalsContact O-CG2 3.25Å; F90-V98 WeakPolarHBondContact O-CG2 3.27Å; F90-V98 PolarHBondContact O-N 3.21Å; F90-M99 HydrophobicContact CB-CE 4.07Å; F90-M99 HydrophobicContact CD2-CE 3.33Å; F90-M99 HydrophobicContact CE2-CE 3.8Å; F90-M99 HydrophobicContact CG-CE 3.75Å; F90-T194 HydrophobicContact CD2-CG2 3.89Å; F90-T194 HydrophobicContact CE2-CG2 3.92Å; F90-V195 PolarHBondContact N-O 3.5Å; F90-G196 VanDerWaalsContact CE2-C 3.45Å; F90-A197 HydrophobicContact CE2-CB 3.86Å; F90-A197 HydrophobicContact CZ-CB 3.57Å; F90-L213 HydrophobicContact CE1-CD2 3.64Å; F90-L213 HydrophobicContact CZ-CD2 4.04Å; F90-I215 HydrophobicContact CD1-CD1 3.87Å; F90-I215 HydrophobicContact CE1-CD1 3.79Å; F90-I215 HydrophobicContact CZ-CD1 4.46Å | ||
| 91 | M | 85.3 | Confident | 86.7 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 12% | 0.118 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.7 | 176.2 | -64.5 | -162.9 | 72.7 | 0 | 0 | 109.4 | S89 D94 R95 D96 V195 | S89-M91 VanDerWaalsContact C-N 3.31Å; M91-D94 VanDerWaalsContact CE-O 3.23Å; M91-D94 WeakPolarHBondContact CE-O 3.36Å; M91-R95 WeakPolarHBondContact CE-O 3.49Å; M91-D96 CarbonylContact C-O 3.59Å; M91-D96 WeakPolarHBondContact CA-O 3.4Å; M91-V195 HydrophobicContact CG-CG1 4.23Å; M91-V195 HydrophobicContact SD-CG1 3.96Å |
| 92 | K | 80.2 | Confident | 86.9 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.4 | 172.4 | -175.3 | -178.2 | -178.2 | -175.7 | 0 | 108.2 | D94 R95 D96 | K92-D94 PolarHBondContact O-N 3.28Å; K92-D94 VanDerWaalsContact O-N 3.16Å; K92-R95 PolarHBondContact O-N 2.95Å; K92-R95 VanDerWaalsContact O-N 3.15Å; K92-D96 HydrophobicContact CB-CB 4.31Å; K92-D96 PolarHBondContact N-O 3.03Å; K92-D96 PolarHBondContact O-N 3.39Å; K92-D96 VanDerWaalsContact O-N 3.11Å |
| 93 | N | 77.5 | Confident | 86.9 | Confident | 127 Ų | 127 | 59.8 Ų | 59.8 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 36.7 | -177.3 | -56 | -15.3 | 0 | 0 | 0 | 113.3 | R95 | N93-R95 WeakPolarHBondContact O-CG 3.06Å; N93-R95 PolarHBondContact O-N 3.46Å |
| 94 | D | 73.3 | Confident | 86.8 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 69% | 0.69 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 15.1 | -178.2 | -57.8 | -46.6 | 0 | 0 | 0 | 116.5 | M91 K92 | M91-D94 VanDerWaalsContact CE-O 3.23Å; M91-D94 WeakPolarHBondContact CE-O 3.36Å; K92-D94 PolarHBondContact O-N 3.28Å; K92-D94 VanDerWaalsContact O-N 3.16Å |
| 95 | R | 74.6 | Confident | 86.7 | Confident | 209 Ų | 209 | 57.3 Ų | 57.3 | 79% | 0.789 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -53.1 | -174.7 | -65.3 | 170.5 | -161.5 | -169.3 | 3 | 112.6 | M91 K92 N93 | M91-R95 WeakPolarHBondContact CE-O 3.49Å; K92-R95 PolarHBondContact O-N 2.95Å; K92-R95 VanDerWaalsContact O-N 3.15Å; N93-R95 WeakPolarHBondContact O-CG 3.06Å; N93-R95 PolarHBondContact O-N 3.46Å |
| 96 | D | 79.4 | Confident | 86.7 | Confident | 100 Ų | 100 | 60.9 Ų | 60.9 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.6 | -171.7 | -54 | -31.7 | 0 | 0 | 0 | 110.4 | M91 K92 | M91-D96 CarbonylContact C-O 3.59Å; M91-D96 WeakPolarHBondContact CA-O 3.4Å; K92-D96 HydrophobicContact CB-CB 4.31Å; K92-D96 PolarHBondContact N-O 3.03Å; K92-D96 PolarHBondContact O-N 3.39Å; K92-D96 VanDerWaalsContact O-N 3.11Å |
| 97 | Q | 83.6 | Confident | 86.6 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.9 | 174.6 | -67.7 | -179.4 | 35.6 | 0 | 0 | 110.2 | M99 | Q97-M99 VanDerWaalsContact C-N 3.34Å |
| 98 | V | 85.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -67.7 | -33.6 | 179.4 | 164.3 | 0 | 0 | 0 | 0 | 112.4 | T58 F61 F90 I215 | T58-V98 WeakPolarHBondContact CB-O 2.99Å; T58-V98 PolarHBondContact OG1-O 3.04Å; F61-V98 HydrophobicContact CB-CG1 3.5Å; F61-V98 VanDerWaalsContact CB-CG1 3.5Å; F61-V98 HydrophobicContact CD1-CB 4.4Å; F61-V98 HydrophobicContact CD1-CG1 3.46Å; F61-V98 VanDerWaalsContact CD1-CG1 3.46Å; F61-V98 HydrophobicContact CD1-CG2 4.12Å; F61-V98 HydrophobicContact CD2-CG1 3.82Å; F61-V98 HydrophobicContact CD2-CG2 3.84Å; F61-V98 HydrophobicContact CE1-CB 4.47Å; F61-V98 HydrophobicContact CE1-CG1 3.98Å; F61-V98 HydrophobicContact CE1-CG2 3.81Å; F61-V98 HydrophobicContact CE2-CG1 4.34Å; F61-V98 HydrophobicContact CE2-CG2 3.55Å; F61-V98 HydrophobicContact CG-CB 4.37Å; F61-V98 HydrophobicContact CG-CG1 3.32Å; F61-V98 HydrophobicContact CG-CG2 4.1Å; F61-V98 HydrophobicContact CZ-CG1 4.39Å; F61-V98 HydrophobicContact CZ-CG2 3.51Å; F90-V98 HydrophobicContact CB-CB 4.33Å; F90-V98 WeakPolarHBondContact O-CB 3.22Å; F90-V98 VanDerWaalsContact O-CG2 3.25Å; F90-V98 WeakPolarHBondContact O-CG2 3.27Å; F90-V98 PolarHBondContact O-N 3.21Å; V98-I215 HydrophobicContact CG1-CD1 4.4Å |
| 99 | M | 87.7 | Confident | 86.8 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -104.5 | 130.9 | -178.2 | -68.9 | 176.6 | -75.4 | 0 | 0 | 110.4 | F90 Q97 Y105 Y186 I215 | F90-M99 HydrophobicContact CB-CE 4.07Å; F90-M99 HydrophobicContact CD2-CE 3.33Å; F90-M99 HydrophobicContact CE2-CE 3.8Å; F90-M99 HydrophobicContact CG-CE 3.75Å; Q97-M99 VanDerWaalsContact C-N 3.34Å; M99-Y105 HydrophobicContact CB-CD2 4.06Å; M99-Y105 HydrophobicContact CB-CE2 3.74Å; M99-Y105 HydrophobicContact CG-CD1 4.48Å; M99-Y105 HydrophobicContact CG-CD2 3.98Å; M99-Y105 HydrophobicContact CG-CE2 4.04Å; M99-Y105 HydrophobicContact CG-CG 4.21Å; M99-Y105 HydrophobicContact SD-CD2 4.43Å; M99-Y186 HydrophobicContact CE-CE1 4.29Å; M99-Y186 HydrophobicContact SD-CD1 3.92Å; M99-Y186 HydrophobicContact SD-CE1 4.2Å; M99-I215 HydrophobicContact CG-CG2 4.08Å; M99-I215 HydrophobicContact SD-CD1 4.38Å; M99-I215 HydrophobicContact SD-CG2 4.22Å |
| 100 | A | 87.1 | Confident | 87.1 | Confident | 34 Ų | 34 | 54 Ų | 54 | 28% | 0.281 | 27% | 0.274 | S | S | . | . | trans | -74.9 | 138.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P57 G102 Q103 Y105 | P57-A100 HydrophobicContact CB-CB 3.67Å; A100-G102 PolarHBondContact O-N 3.36Å; A100-Q103 HydrophobicContact CB-CB 4.18Å; A100-Q103 PolarHBondContact O-N 3.47Å; A100-Y105 PolarHBondContact N-OH 2.94Å | ||
| 101 | N | 88.3 | Confident | 87.5 | Confident | 85 Ų | 85 | 53.8 Ų | 53.8 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -59.5 | 135.8 | 178.3 | -67.9 | -37 | 0 | 0 | 0 | 111.7 | Q103 | N101-Q103 PolarHBondContact O-N 2.96Å; N101-Q103 VanDerWaalsContact O-N 3.1Å |
| 102 | G | 86.2 | Confident | 88 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A100 T188 | A100-G102 PolarHBondContact O-N 3.36Å; G102-T188 PolarHBondContact N-O 3Å |
| 103 | Q | 88.3 | Confident | 88.8 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | trans | -74.8 | 131.4 | 173.9 | 171.3 | 61.6 | 49.3 | 0 | 0 | 109.8 | P57 A100 N101 Y105 Y218 | P57-Q103 HydrophobicContact CG-CG 4.22Å; A100-Q103 HydrophobicContact CB-CB 4.18Å; A100-Q103 PolarHBondContact O-N 3.47Å; N101-Q103 PolarHBondContact O-N 2.96Å; N101-Q103 VanDerWaalsContact O-N 3.1Å; Q103-Y105 HydrophobicContact CB-CD2 4.45Å; Q103-Y105 HydrophobicContact CB-CE2 3.78Å; Q103-Y105 HydrophobicContact CG-CD2 4.18Å; Q103-Y105 HydrophobicContact CG-CE2 3.6Å; Q103-Y105 VanDerWaalsContact O-CD2 3.23Å; Q103-Y105 WeakPolarHBondContact O-CD2 3.39Å; Q103-Y218 PolarHBondContact NE2-O 3.16Å | ||
| 104 | P | 91.5 | Very high | 89.6 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.2 | 170.3 | 26.6 | -33.4 | 0 | 0 | 0 | 112.1 | D185 Y186 K187 Y218 | P104-D185 HydrophobicContact CB-CB 4.45Å; P104-Y186 CarbonylContact C-O 3.55Å; P104-Y186 WeakPolarHBondContact CA-O 3.46Å; P104-K187 HydrophobicContact CB-CG 4.25Å; P104-Y218 PolarHBondContact O-N 3.15Å |
| 105 | Y | 92.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.5 | 175.7 | -71.1 | -87.7 | 0 | 0 | 0 | 110.9 | T58 M99 A100 Q103 Y186 I215 H216 A217 | T58-Y105 PolarHBondContact OG1-OH 3.28Å; M99-Y105 HydrophobicContact CB-CD2 4.06Å; M99-Y105 HydrophobicContact CB-CE2 3.74Å; M99-Y105 HydrophobicContact CG-CD1 4.48Å; M99-Y105 HydrophobicContact CG-CD2 3.98Å; M99-Y105 HydrophobicContact CG-CE2 4.04Å; M99-Y105 HydrophobicContact CG-CG 4.21Å; M99-Y105 HydrophobicContact SD-CD2 4.43Å; A100-Y105 PolarHBondContact N-OH 2.94Å; Q103-Y105 HydrophobicContact CB-CD2 4.45Å; Q103-Y105 HydrophobicContact CB-CE2 3.78Å; Q103-Y105 HydrophobicContact CG-CD2 4.18Å; Q103-Y105 HydrophobicContact CG-CE2 3.6Å; Q103-Y105 VanDerWaalsContact O-CD2 3.23Å; Q103-Y105 WeakPolarHBondContact O-CD2 3.39Å; Y105-Y186 PolarHBondContact N-O 3.36Å; Y105-Y186 WeakPolarHBondContact O-CB 3.31Å; Y105-Y186 PolarHBondContact O-N 3.45Å; Y105-I215 HydrophobicContact CD1-CG2 3.63Å; Y105-I215 HydrophobicContact CE1-CG2 4.4Å; Y105-I215 HydrophobicContact CG-CG2 4.02Å; Y105-H216 CarbonylContact C-O 3.5Å; Y105-H216 WeakPolarHBondContact CA-O 3.22Å; Y105-A217 HydrophobicContact CD1-CB 3.9Å; Y105-A217 HydrophobicContact CE1-CB 3.65Å |
| 106 | R | 94 | Very high | 91.4 | Very high | 103 Ų | 103 | 30.7 Ų | 30.7 | 39% | 0.389 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.4 | 167.2 | -171.2 | 176.9 | -172.4 | -133.4 | -0.8 | 108.6 | E181 Y183 P184 H216 | R106-E181 WeakPolarHBondContact CG-OE1 3.25Å; R106-E181 IonicContact CZ-OE1 2.72Å; R106-E181 IonicContact CZ-OE2 3.17Å; R106-E181 IonicContact NE-OE1 2.71Å; R106-E181 PolarHBondContact NE-OE1 3.3Å; R106-E181 IonicContact NE-OE2 2.77Å; R106-E181 PolarHBondContact NE-OE2 3.09Å; R106-E181 IonicContact NH2-OE1 3.44Å; R106-E181 IonicContact NH2-OE2 3.38Å; R106-E181 PolarHBondContact NH2-OE2 3.35Å; R106-Y183 CarbonylContact C-O 3.59Å; R106-Y183 WeakPolarHBondContact CA-O 3.14Å; R106-P184 VanDerWaalsContact CA-O 3.27Å; R106-P184 WeakPolarHBondContact CA-O 3.23Å; R106-P184 WeakPolarHBondContact CB-O 3.37Å; R106-H216 PolarHBondContact N-O 3.34Å; R106-H216 PolarHBondContact O-N 3.29Å |
| 107 | V | 95.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113 | -179.2 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | M129 L182 Y183 L213 R214 I215 | V107-M129 HydrophobicContact CG1-CE 3.92Å; V107-M129 HydrophobicContact CG1-SD 4.3Å; V107-L182 PolarHBondContact O-N 3.12Å; V107-Y183 PolarHBondContact N-O 3.4Å; V107-Y183 PolarHBondContact O-N 3.5Å; V107-L213 HydrophobicContact CG1-CD1 3.77Å; V107-L213 HydrophobicContact CG1-CD2 3.97Å; V107-L213 HydrophobicContact CG1-CG 4.05Å; V107-R214 WeakPolarHBondContact CA-O 3.18Å; V107-I215 HydrophobicContact CG1-CG1 4.34Å; V107-I215 HydrophobicContact CG2-CG1 4.38Å; V107-I215 HydrophobicContact CG2-CG2 4.42Å |
| 108 | S | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.5 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | E179 V180 L213 R214 | S108-E179 VanDerWaalsContact CB-OE1 3.24Å; S108-E179 WeakPolarHBondContact CB-OE1 3.25Å; S108-E179 PolarHBondContact OG-OE1 2.99Å; S108-V180 CarbonylContact C-O 3.56Å; S108-V180 VanDerWaalsContact CA-O 3.26Å; S108-V180 WeakPolarHBondContact CA-O 3.36Å; S108-L213 WeakPolarHBondContact O-CD1 3.42Å; S108-R214 PolarHBondContact N-O 3.49Å; S108-R214 PolarHBondContact O-N 2.91Å; S108-R214 VanDerWaalsContact O-O 3.13Å |
| 109 | I | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.5 | 169.6 | -172.8 | 174 | 0 | 0 | 0 | 108.8 | F67 L111 I127 E179 V180 L182 I199 L213 | F67-I109 HydrophobicContact CZ-CD1 4.42Å; I109-L111 HydrophobicContact CD1-CD2 3.82Å; I109-L111 HydrophobicContact CG1-CD2 4.06Å; I109-I127 HydrophobicContact CG2-CD1 3.81Å; I109-I127 HydrophobicContact CG2-CG2 4.41Å; I109-E179 CarbonylContact O-C 3.59Å; I109-E179 WeakPolarHBondContact O-CA 3.36Å; I109-V180 HydrophobicContact CG2-CB 3.91Å; I109-V180 PolarHBondContact N-O 2.79Å; I109-V180 PolarHBondContact O-N 2.87Å; I109-L182 HydrophobicContact CB-CD1 4.07Å; I109-L182 HydrophobicContact CG2-CD1 3.9Å; I109-L182 HydrophobicContact CG2-CD2 4.36Å; I109-L182 HydrophobicContact CG2-CG 4.12Å; I109-I199 HydrophobicContact CD1-CD1 4.24Å; I109-I199 HydrophobicContact CD1-CG2 3.91Å; I109-L213 HydrophobicContact CB-CD1 4.05Å |
| 110 | V | 97.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117.5 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | L177 I178 E179 A211 Q212 R214 | V110-L177 HydrophobicContact CG1-CB 4.38Å; V110-L177 HydrophobicContact CG1-CD2 4.3Å; V110-I178 WeakPolarHBondContact CA-O 3.49Å; V110-E179 HydrophobicContact CG2-CB 4.16Å; V110-E179 HydrophobicContact CG2-CG 4.02Å; V110-A211 CarbonylContact O-C 3.55Å; V110-A211 VanDerWaalsContact O-CA 3.28Å; V110-A211 WeakPolarHBondContact O-CA 3.25Å; V110-Q212 PolarHBondContact N-O 3.34Å; V110-Q212 PolarHBondContact O-N 2.83Å; V110-R214 HydrophobicContact CG2-CG 4.42Å |
| 111 | L | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.9 | 174.9 | -60 | -178.9 | 0 | 0 | 0 | 109.8 | F67 I109 M113 F125 I127 L177 I178 I201 I208 A211 | F67-L111 HydrophobicContact CE2-CD2 4.3Å; I109-L111 HydrophobicContact CD1-CD2 3.82Å; I109-L111 HydrophobicContact CG1-CD2 4.06Å; L111-M113 HydrophobicContact CB-CG 4.2Å; L111-M113 HydrophobicContact CB-SD 4.23Å; L111-M113 HydrophobicContact CD1-SD 4.22Å; L111-F125 HydrophobicContact CD1-CE2 3.88Å; L111-F125 HydrophobicContact CD1-CZ 3.99Å; L111-I127 HydrophobicContact CD1-CD1 3.62Å; L111-I127 HydrophobicContact CD1-CG1 4.45Å; L111-I127 HydrophobicContact CG-CD1 4.31Å; L111-L177 CarbonylContact O-C 3.59Å; L111-L177 WeakPolarHBondContact O-CA 3.39Å; L111-I178 PolarHBondContact N-O 3.47Å; L111-I178 PolarHBondContact O-N 2.84Å; L111-I201 HydrophobicContact CD1-CD1 4.36Å; L111-I201 HydrophobicContact CD2-CD1 4.23Å; L111-I208 HydrophobicContact CD2-CD1 4.47Å; L111-A211 HydrophobicContact CD2-CB 3.64Å |
| 112 | E | 96.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.7 | 171.1 | -174.3 | 177.6 | -160.2 | 0 | 0 | 108.8 | K175 L177 I208 Y209 S210 | E112-K175 HydrophobicContact CG-CD 4.26Å; E112-K175 VanDerWaalsContact OE1-CD 3.27Å; E112-K175 WeakPolarHBondContact OE1-CD 3.39Å; E112-K175 WeakPolarHBondContact OE1-CE 3.38Å; E112-K175 IonicContact OE1-NZ 2.66Å; E112-K175 PolarHBondContact OE1-NZ 3.42Å; E112-L177 HydrophobicContact CB-CD2 3.8Å; E112-L177 HydrophobicContact CG-CD2 3.89Å; E112-I208 WeakPolarHBondContact O-CG2 3.2Å; E112-Y209 HydrophobicContact CG-CD2 4.42Å; E112-Y209 PolarHBondContact O-N 3.29Å; E112-S210 WeakPolarHBondContact CB-OG 3.44Å; E112-S210 PolarHBondContact N-O 2.81Å; E112-S210 WeakPolarHBondContact OE2-CB 3.4Å; E112-S210 PolarHBondContact OE2-OG 3.48Å |
| 113 | M | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.3 | -171.3 | -65.9 | -178.8 | 62.5 | 0 | 0 | 111.4 | L111 N119 F125 L148 Q176 I178 V206 I208 | L111-M113 HydrophobicContact CB-CG 4.2Å; L111-M113 HydrophobicContact CB-SD 4.23Å; L111-M113 HydrophobicContact CD1-SD 4.22Å; M113-N119 HydrophobicContact CE-CB 4.34Å; M113-F125 HydrophobicContact CE-CE1 4.14Å; M113-F125 HydrophobicContact CE-CZ 4.12Å; M113-F125 HydrophobicContact SD-CE1 4.31Å; M113-F125 HydrophobicContact SD-CZ 3.8Å; M113-L148 HydrophobicContact CB-CD1 4.45Å; M113-Q176 PolarHBondContact N-O 3.1Å; M113-Q176 PolarHBondContact O-N 2.95Å; M113-I178 HydrophobicContact SD-CD1 3.69Å; M113-V206 HydrophobicContact CE-CG2 3.51Å; M113-V206 HydrophobicContact SD-CG2 4.45Å; M113-I208 HydrophobicContact CG-CB 4.45Å; M113-I208 HydrophobicContact CG-CG1 4.14Å; M113-I208 HydrophobicContact CG-CG2 4.27Å; M113-I208 HydrophobicContact SD-CG1 4.41Å |
| 114 | P | 95.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 150.5 | 170 | 26.3 | -31.4 | 0 | 0 | 0 | 112.2 | S116 N119 Q207 Y209 | P114-S116 PolarHBondContact O-N 3.09Å; P114-N119 PolarHBondContact O-ND2 2.87Å; P114-Q207 HydrophobicContact CG-CB 4.31Å; P114-Y209 HydrophobicContact CB-CE2 3.65Å; P114-Y209 HydrophobicContact CG-CE1 4.35Å; P114-Y209 HydrophobicContact CG-CE2 3.96Å |
| 115 | E | 92.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | trans | -75.4 | 54.4 | 165.8 | -67.7 | -177.4 | -156.3 | 0 | 0 | 110.6 | R151 Q174 | E115-R151 IonicContact OE1-CZ 3.52Å; E115-R151 IonicContact OE1-NH1 2.66Å; E115-R151 PolarHBondContact OE1-NH1 3.35Å; E115-R151 IonicContact OE2-NH1 3.31Å; E115-R151 PolarHBondContact OE2-NH1 2.97Å; E115-Q174 PolarHBondContact N-O 2.95Å | ||
| 116 | S | 92.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.119 | 23% | 0.225 | C | C | . | . | trans | -81.9 | 151.6 | 179.5 | 85.2 | 0 | 0 | 0 | 0 | 111.6 | P114 V118 N119 E120 Q207 | P114-S116 PolarHBondContact O-N 3.09Å; S116-V118 PolarHBondContact O-N 3.39Å; S116-V118 VanDerWaalsContact O-N 3.09Å; S116-V118 PolarHBondContact OG-N 3.39Å; S116-N119 PolarHBondContact O-N 3.47Å; S116-N119 PolarHBondContact OG-N 3.28Å; S116-E120 PolarHBondContact O-N 2.81Å; S116-Q207 VanDerWaalsContact CB-OE1 3.3Å; S116-Q207 PolarHBondContact OG-OE1 2.91Å | ||
| 117 | P | 93 | Very high | 94.9 | Very high | 79 Ų | 79 | 41 Ų | 41 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -14.8 | 177.7 | 27.1 | -36 | 0 | 0 | 0 | 113.3 | R121 | P117-R121 WeakPolarHBondContact O-CB 3.37Å; P117-R121 VanDerWaalsContact O-CD 3.27Å; P117-R121 WeakPolarHBondContact O-CD 3.27Å; P117-R121 WeakPolarHBondContact O-CG 3.42Å; P117-R121 PolarHBondContact O-N 3.1Å |
| 118 | V | 93.3 | Very high | 95 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -78.4 | -47.1 | 172 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | S116 R121 L122 Q205 | S116-V118 PolarHBondContact O-N 3.39Å; S116-V118 VanDerWaalsContact O-N 3.09Å; S116-V118 PolarHBondContact OG-N 3.39Å; V118-R121 PolarHBondContact O-N 3.4Å; V118-L122 PolarHBondContact O-N 2.87Å; V118-Q205 HydrophobicContact CG1-CB 4.19Å; V118-Q205 VanDerWaalsContact CG1-O 3.24Å; V118-Q205 WeakPolarHBondContact CG1-O 3.37Å |
| 119 | N | 94.1 | Very high | 95 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 176.9 | -79.3 | -12.6 | 0 | 0 | 0 | 112.7 | M113 P114 S116 R121 L122 L148 Q207 | M113-N119 HydrophobicContact CE-CB 4.34Å; P114-N119 PolarHBondContact O-ND2 2.87Å; S116-N119 PolarHBondContact O-N 3.47Å; S116-N119 PolarHBondContact OG-N 3.28Å; N119-R121 VanDerWaalsContact C-N 3.33Å; N119-R121 PolarHBondContact O-N 3Å; N119-L122 WeakPolarHBondContact O-CB 3.38Å; N119-L122 PolarHBondContact O-N 2.82Å; N119-L148 HydrophobicContact CB-CD2 4.13Å; N119-Q207 PolarHBondContact ND2-O 3.38Å; N119-Q207 PolarHBondContact OD1-N 2.83Å; N119-Q207 PolarHBondContact OD1-O 3.42Å |
| 120 | E | 92.3 | Very high | 95 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -41.7 | 176.6 | -174.8 | -174.7 | -146.1 | 0 | 0 | 111.6 | S116 Q156 | S116-E120 PolarHBondContact O-N 2.81Å; E120-Q156 PolarHBondContact OE1-NE2 3.39Å |
| 121 | R | 92.5 | Very high | 94.9 | Very high | 207 Ų | 207 | 45 Ų | 45 | 78% | 0.781 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -82.5 | -12.4 | 180 | -65.9 | 175.4 | -168.9 | -173 | 3.5 | 114 | P117 V118 N119 G123 | P117-R121 WeakPolarHBondContact O-CB 3.37Å; P117-R121 VanDerWaalsContact O-CD 3.27Å; P117-R121 WeakPolarHBondContact O-CD 3.27Å; P117-R121 WeakPolarHBondContact O-CG 3.42Å; P117-R121 PolarHBondContact O-N 3.1Å; V118-R121 PolarHBondContact O-N 3.4Å; N119-R121 VanDerWaalsContact C-N 3.33Å; N119-R121 PolarHBondContact O-N 3Å; R121-G123 PolarHBondContact O-N 3.39Å |
| 122 | L | 92.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -32 | -178.8 | -177.4 | 65.3 | 0 | 0 | 0 | 112.2 | V118 N119 F125 S203 Q205 V206 | V118-L122 PolarHBondContact O-N 2.87Å; N119-L122 WeakPolarHBondContact O-CB 3.38Å; N119-L122 PolarHBondContact O-N 2.82Å; L122-F125 HydrophobicContact CD2-CB 4.24Å; L122-F125 HydrophobicContact CD2-CD1 3.72Å; L122-F125 HydrophobicContact CD2-CE1 4.34Å; L122-F125 HydrophobicContact CD2-CG 4.16Å; L122-F125 HydrophobicContact CG-CD1 4.43Å; L122-S203 WeakPolarHBondContact CD1-OG 3.36Å; L122-Q205 HydrophobicContact CD1-CB 4.34Å; L122-V206 HydrophobicContact CD2-CB 3.76Å; L122-V206 HydrophobicContact CD2-CG2 3.83Å |
| 123 | G | 92.9 | Very high | 94.5 | Very high | 22 Ų | 22 | 46 Ų | 46 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | trans | 66.6 | -144 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R121 M147 | R121-G123 PolarHBondContact O-N 3.39Å; G123-M147 WeakPolarHBondContact O-CG 3.41Å | ||
| 124 | M | 95.6 | Very high | 94.2 | Very high | 147 Ų | 147 | 53.3 Ų | 53.3 | 72% | 0.724 | 26% | 0.262 | S | S | * | . | trans | -72.7 | 129.2 | 178.8 | -65.8 | -173.6 | -67.7 | 0 | 0 | 111.4 | T146 M147 | M124-T146 WeakPolarHBondContact CA-O 3.08Å; M124-M147 HydrophobicContact CG-CB 4.3Å; M124-M147 HydrophobicContact CG-SD 4.11Å | ||
| 125 | F | 95.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 157.1 | 170.3 | 63.2 | -88.1 | 0 | 0 | 0 | 110.6 | L111 M113 L122 I127 S145 T146 I201 V206 | L111-F125 HydrophobicContact CD1-CE2 3.88Å; L111-F125 HydrophobicContact CD1-CZ 3.99Å; M113-F125 HydrophobicContact CE-CE1 4.14Å; M113-F125 HydrophobicContact CE-CZ 4.12Å; M113-F125 HydrophobicContact SD-CE1 4.31Å; M113-F125 HydrophobicContact SD-CZ 3.8Å; L122-F125 HydrophobicContact CD2-CB 4.24Å; L122-F125 HydrophobicContact CD2-CD1 3.72Å; L122-F125 HydrophobicContact CD2-CE1 4.34Å; L122-F125 HydrophobicContact CD2-CG 4.16Å; L122-F125 HydrophobicContact CG-CD1 4.43Å; F125-I127 HydrophobicContact CD2-CG1 4.37Å; F125-I127 HydrophobicContact CE2-CD1 4.41Å; F125-I127 HydrophobicContact CE2-CG1 4.09Å; F125-S145 CarbonylContact O-C 3.59Å; F125-S145 WeakPolarHBondContact O-CA 3.34Å; F125-T146 HydrophobicContact CD1-CG2 4.39Å; F125-T146 HydrophobicContact CD2-CG2 3.87Å; F125-T146 HydrophobicContact CE1-CG2 3.96Å; F125-T146 HydrophobicContact CE2-CG2 3.38Å; F125-T146 HydrophobicContact CG-CG2 4.36Å; F125-T146 HydrophobicContact CZ-CG2 3.44Å; F125-T146 VanDerWaalsContact CZ-CG2 3.44Å; F125-T146 PolarHBondContact N-O 3.44Å; F125-T146 PolarHBondContact O-N 3.49Å; F125-I201 HydrophobicContact CD2-CG2 3.78Å; F125-I201 HydrophobicContact CE2-CG2 4.1Å; F125-V206 HydrophobicContact CZ-CG2 4.39Å |
| 126 | M | 96.9 | Very high | 93.5 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.9 | -179.3 | -172.1 | -179.9 | -65.8 | 0 | 0 | 111.1 | R144 H202 | M126-R144 WeakPolarHBondContact CA-O 3.48Å; M126-H202 HydrophobicContact CB-CB 4.32Å; M126-H202 PolarHBondContact O-N 3.4Å |
| 127 | I | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.6 | 165.9 | -51 | 173 | 0 | 0 | 0 | 107.3 | I109 L111 F125 G143 R144 T146 V180 L182 I199 I201 | I109-I127 HydrophobicContact CG2-CD1 3.81Å; I109-I127 HydrophobicContact CG2-CG2 4.41Å; L111-I127 HydrophobicContact CD1-CD1 3.62Å; L111-I127 HydrophobicContact CD1-CG1 4.45Å; L111-I127 HydrophobicContact CG-CD1 4.31Å; F125-I127 HydrophobicContact CD2-CG1 4.37Å; F125-I127 HydrophobicContact CE2-CD1 4.41Å; F125-I127 HydrophobicContact CE2-CG1 4.09Å; I127-G143 CarbonylContact O-C 3.56Å; I127-G143 WeakPolarHBondContact O-CA 3.3Å; I127-R144 PolarHBondContact N-O 2.91Å; I127-R144 PolarHBondContact O-N 3.18Å; I127-T146 HydrophobicContact CD1-CG2 3.88Å; I127-T146 HydrophobicContact CG1-CG2 4.11Å; I127-V180 HydrophobicContact CD1-CB 4.14Å; I127-V180 HydrophobicContact CD1-CG1 4.35Å; I127-V180 HydrophobicContact CD1-CG2 3.88Å; I127-L182 HydrophobicContact CG2-CD2 4.26Å; I127-I199 HydrophobicContact CG2-CG2 3.93Å; I127-I201 HydrophobicContact CG1-CG1 4.48Å; I127-I201 HydrophobicContact CG2-CG1 4.49Å |
| 128 | K | 97.3 | Very high | 93.4 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.7 | 174.7 | -176.7 | -178.7 | 175.6 | -169.8 | 0 | 109.2 | S141 V142 I199 E200 H202 | K128-S141 WeakPolarHBondContact CE-OG 3.32Å; K128-V142 CarbonylContact C-O 3.55Å; K128-V142 VanDerWaalsContact CA-O 3.31Å; K128-V142 WeakPolarHBondContact CA-O 3.43Å; K128-I199 CarbonylContact O-C 3.54Å; K128-I199 WeakPolarHBondContact O-CA 3.22Å; K128-E200 PolarHBondContact N-O 2.76Å; K128-E200 PolarHBondContact O-N 3.35Å; K128-H202 WeakPolarHBondContact CD-NE2 3.23Å |
| 129 | M | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.2 | 172.2 | -173.6 | 177.3 | 76.5 | 0 | 0 | 109.7 | V107 S141 V142 L182 Y183 A197 V198 I199 L213 | V107-M129 HydrophobicContact CG1-CE 3.92Å; V107-M129 HydrophobicContact CG1-SD 4.3Å; M129-S141 CarbonylContact O-C 3.56Å; M129-S141 VanDerWaalsContact O-CA 3.3Å; M129-S141 WeakPolarHBondContact O-CA 3.17Å; M129-S141 PolarHBondContact O-OG 3.43Å; M129-V142 HydrophobicContact CB-CG1 4.3Å; M129-V142 PolarHBondContact N-O 2.9Å; M129-V142 PolarHBondContact O-N 3.23Å; M129-L182 HydrophobicContact CB-CD1 3.94Å; M129-L182 HydrophobicContact CE-CB 4.33Å; M129-L182 HydrophobicContact CE-CD1 4.16Å; M129-L182 HydrophobicContact CG-CD1 4.41Å; M129-L182 HydrophobicContact SD-CD1 3.7Å; M129-Y183 HydrophobicContact CE-CD2 3.49Å; M129-Y183 VanDerWaalsContact CE-CD2 3.49Å; M129-Y183 HydrophobicContact CE-CE2 3.49Å; M129-Y183 VanDerWaalsContact CE-CE2 3.49Å; M129-A197 HydrophobicContact CG-CB 3.75Å; M129-A197 HydrophobicContact SD-CB 3.99Å; M129-V198 CarbonylContact C-O 3.56Å; M129-V198 WeakPolarHBondContact CA-O 3.36Å; M129-I199 HydrophobicContact CB-CG1 4.34Å; M129-I199 HydrophobicContact CG-CG1 3.87Å; M129-I199 HydrophobicContact SD-CG1 4.25Å; M129-L213 HydrophobicContact SD-CD1 4.17Å; M129-L213 HydrophobicContact SD-CD2 4.48Å |
| 130 | S | 96.3 | Very high | 93.3 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 16% | 0.161 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 111.8 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | S140 S141 A197 V198 | S130-S140 CarbonylContact C-O 3.54Å; S130-S140 WeakPolarHBondContact CA-O 3.27Å; S130-S141 PolarHBondContact OG-OG 3.47Å; S130-A197 CarbonylContact O-C 3.47Å; S130-A197 VanDerWaalsContact O-CA 3.27Å; S130-A197 WeakPolarHBondContact O-CA 3.21Å; S130-V198 PolarHBondContact N-O 3.31Å; S130-V198 PolarHBondContact O-N 2.84Å |
| 131 | C | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.7 | -179.3 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | T138 V139 S140 T194 G196 | C131-T138 CarbonylContact O-C 3.54Å; C131-T138 WeakPolarHBondContact O-CA 3.32Å; C131-V139 PolarHBondContact O-N 3Å; C131-S140 WeakPolarHBondContact CB-OG 2.99Å; C131-S140 PolarHBondContact N-O 3Å; C131-T194 HydrophobicContact CB-CG2 3.63Å; C131-G196 WeakPolarHBondContact CA-O 3.41Å |
| 132 | Y | 94.2 | Very high | 93.7 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155.6 | -175 | 67.1 | -92.5 | 0 | 0 | 0 | 114.1 | N87 T137 V195 G196 V198 | N87-Y132 WeakPolarHBondContact OD1-CE1 3.49Å; N87-Y132 PolarHBondContact OD1-OH 2.82Å; Y132-T137 CarbonylContact C-O 3.52Å; Y132-T137 VanDerWaalsContact CA-O 3.27Å; Y132-T137 WeakPolarHBondContact CA-O 3.19Å; Y132-V195 HydrophobicContact CE2-CB 4.39Å; Y132-V195 HydrophobicContact CE2-CG1 4.44Å; Y132-V195 PolarHBondContact O-N 2.93Å; Y132-G196 WeakPolarHBondContact CD1-O 3.49Å; Y132-G196 PolarHBondContact N-O 3.32Å; Y132-V198 HydrophobicContact CD1-CG2 4.16Å; Y132-V198 HydrophobicContact CE1-CG2 4.09Å |
| 133 | T | 92.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | trans | -90.7 | 175.5 | 176.9 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | G135 G136 T137 V139 H192 | T133-G135 PolarHBondContact O-N 2.6Å; T133-G135 VanDerWaalsContact O-N 3.08Å; T133-G135 PolarHBondContact OG1-N 3.5Å; T133-G135 VanDerWaalsContact OG1-N 3.15Å; T133-G136 PolarHBondContact O-N 3.17Å; T133-T137 PolarHBondContact N-O 3.21Å; T133-T137 PolarHBondContact OG1-OG1 2.95Å; T133-V139 HydrophobicContact CG2-CG2 3.25Å; T133-H192 HydrophobicContact CG2-CB 4.14Å | ||
| 134 | K | 87.8 | Confident | 94.1 | Very high | 156 Ų | 156 | 55 Ų | 55 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.6 | 172.5 | -70.8 | -166.2 | 176 | -169.7 | 0 | 113.5 | G136 V195 | K134-G136 VanDerWaalsContact C-N 3.35Å; K134-V195 HydrophobicContact CB-CG2 4.14Å; K134-V195 HydrophobicContact CD-CG2 4.47Å; K134-V195 HydrophobicContact CG-CG2 3.3Å; K134-V195 VanDerWaalsContact N-CG2 3.29Å |
| 135 | G | 86.6 | Confident | 94.1 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T133 T137 | T133-G135 PolarHBondContact O-N 2.6Å; T133-G135 VanDerWaalsContact O-N 3.08Å; T133-G135 PolarHBondContact OG1-N 3.5Å; T133-G135 VanDerWaalsContact OG1-N 3.15Å; G135-T137 PolarHBondContact O-N 2.87Å; G135-T137 VanDerWaalsContact O-N 3.14Å |
| 136 | G | 87.4 | Confident | 94.1 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 73.1 | -3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | T133 K134 | T133-G136 PolarHBondContact O-N 3.17Å; K134-G136 VanDerWaalsContact C-N 3.35Å |
| 137 | T | 91.6 | Very high | 94 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | trans | -68.6 | 132.6 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | Y132 T133 G135 V139 | Y132-T137 CarbonylContact C-O 3.52Å; Y132-T137 VanDerWaalsContact CA-O 3.27Å; Y132-T137 WeakPolarHBondContact CA-O 3.19Å; T133-T137 PolarHBondContact N-O 3.21Å; T133-T137 PolarHBondContact OG1-OG1 2.95Å; G135-T137 PolarHBondContact O-N 2.87Å; G135-T137 VanDerWaalsContact O-N 3.14Å; T137-V139 PolarHBondContact O-N 2.95Å | ||
| 138 | T | 92.5 | Very high | 93.9 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120.3 | 175 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | C131 | C131-T138 CarbonylContact O-C 3.54Å; C131-T138 WeakPolarHBondContact O-CA 3.32Å |
| 139 | V | 92.3 | Very high | 93.7 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -41.6 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | C131 T133 T137 | C131-V139 PolarHBondContact O-N 3Å; T133-V139 HydrophobicContact CG2-CG2 3.25Å; T137-V139 PolarHBondContact O-N 2.95Å |
| 140 | S | 92.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 148.3 | -174.9 | 63.9 | 0 | 0 | 0 | 0 | 110.2 | S130 C131 Y183 Y186 | S130-S140 CarbonylContact C-O 3.54Å; S130-S140 WeakPolarHBondContact CA-O 3.27Å; C131-S140 WeakPolarHBondContact CB-OG 2.99Å; C131-S140 PolarHBondContact N-O 3Å; S140-Y183 WeakPolarHBondContact CB-OH 3.14Å; S140-Y183 PolarHBondContact OG-OH 3.23Å; S140-Y186 WeakPolarHBondContact OG-CE2 3.24Å |
| 141 | S | 95.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 67 Ų | 67 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.6 | 172.1 | -165.6 | 0 | 0 | 0 | 0 | 109.4 | K128 M129 S130 Y183 | K128-S141 WeakPolarHBondContact CE-OG 3.32Å; M129-S141 CarbonylContact O-C 3.56Å; M129-S141 VanDerWaalsContact O-CA 3.3Å; M129-S141 WeakPolarHBondContact O-CA 3.17Å; M129-S141 PolarHBondContact O-OG 3.43Å; S130-S141 PolarHBondContact OG-OG 3.47Å; S141-Y183 VanDerWaalsContact C-OH 3.24Å; S141-Y183 PolarHBondContact N-OH 3.05Å; S141-Y183 PolarHBondContact O-OH 3.05Å |
| 142 | V | 97.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 14% | 0.139 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.3 | 175.8 | 64.8 | 0 | 0 | 0 | 0 | 109.7 | K128 M129 R144 L182 Y183 | K128-V142 CarbonylContact C-O 3.55Å; K128-V142 VanDerWaalsContact CA-O 3.31Å; K128-V142 WeakPolarHBondContact CA-O 3.43Å; M129-V142 HydrophobicContact CB-CG1 4.3Å; M129-V142 PolarHBondContact N-O 2.9Å; M129-V142 PolarHBondContact O-N 3.23Å; V142-R144 HydrophobicContact CG2-CG 4.46Å; V142-L182 HydrophobicContact CG1-CB 4.04Å; V142-Y183 HydrophobicContact CB-CE1 3.84Å; V142-Y183 HydrophobicContact CB-CE2 4.18Å; V142-Y183 HydrophobicContact CG1-CD1 4.44Å; V142-Y183 HydrophobicContact CG1-CD2 3.96Å; V142-Y183 HydrophobicContact CG1-CE1 4Å; V142-Y183 HydrophobicContact CG1-CE2 3.48Å; V142-Y183 VanDerWaalsContact CG1-CE2 3.48Å; V142-Y183 HydrophobicContact CG1-CG 4.41Å; V142-Y183 VanDerWaalsContact CG1-CZ 3.48Å; V142-Y183 HydrophobicContact CG2-CE1 4.43Å |
| 143 | G | 96.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I127 | I127-G143 CarbonylContact O-C 3.56Å; I127-G143 WeakPolarHBondContact O-CA 3.3Å |
| 144 | R | 97.5 | Very high | 93.5 | Very high | 101 Ų | 101 | 76 Ų | 76 | 38% | 0.381 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.8 | 173.7 | -62.9 | -64.2 | -174.9 | -176.3 | 0.1 | 109.6 | M126 I127 V142 V180 E181 L182 | M126-R144 WeakPolarHBondContact CA-O 3.48Å; I127-R144 PolarHBondContact N-O 2.91Å; I127-R144 PolarHBondContact O-N 3.18Å; V142-R144 HydrophobicContact CG2-CG 4.46Å; R144-V180 HydrophobicContact CB-CG1 3.77Å; R144-V180 HydrophobicContact CG-CG1 4.37Å; R144-E181 WeakPolarHBondContact CG-O 3.37Å; R144-E181 PolarHBondContact NE-O 3.45Å; R144-L182 HydrophobicContact CB-CD2 4.27Å; R144-L182 HydrophobicContact CG-CD2 3.95Å; R144-L182 PolarHBondContact NE-O 3.47Å; R144-L182 PolarHBondContact NH2-O 3.46Å |
| 145 | S | 96.5 | Very high | 93.8 | Very high | 85 Ų | 85 | 73 Ų | 73 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 145.8 | 166.3 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | F125 | F125-S145 CarbonylContact O-C 3.59Å; F125-S145 WeakPolarHBondContact O-CA 3.34Å |
| 146 | T | 95.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 72.3 Ų | 72.3 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 169.7 | 171.4 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | M124 F125 I127 I178 V180 | M124-T146 WeakPolarHBondContact CA-O 3.08Å; F125-T146 HydrophobicContact CD1-CG2 4.39Å; F125-T146 HydrophobicContact CD2-CG2 3.87Å; F125-T146 HydrophobicContact CE1-CG2 3.96Å; F125-T146 HydrophobicContact CE2-CG2 3.38Å; F125-T146 HydrophobicContact CG-CG2 4.36Å; F125-T146 HydrophobicContact CZ-CG2 3.44Å; F125-T146 VanDerWaalsContact CZ-CG2 3.44Å; F125-T146 PolarHBondContact N-O 3.44Å; F125-T146 PolarHBondContact O-N 3.49Å; I127-T146 HydrophobicContact CD1-CG2 3.88Å; I127-T146 HydrophobicContact CG1-CG2 4.11Å; T146-I178 WeakPolarHBondContact OG1-CG2 3.15Å; T146-V180 HydrophobicContact CG2-CG2 3.87Å; T146-V180 VanDerWaalsContact OG1-CG2 3.31Å; T146-V180 WeakPolarHBondContact OG1-CG2 3.32Å |
| 147 | M | 94.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 74.1 Ų | 74.1 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | trans | -152.5 | 147.2 | -178.9 | -173.3 | 173.5 | 162 | 0 | 0 | 109.8 | G123 M124 | G123-M147 WeakPolarHBondContact O-CG 3.41Å; M124-M147 HydrophobicContact CG-CB 4.3Å; M124-M147 HydrophobicContact CG-SD 4.11Å | ||
| 148 | L | 94.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 74.7 Ų | 74.7 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 138 | 166.4 | -170.4 | 74.2 | 0 | 0 | 0 | 109 | M113 N119 Y150 Q176 I178 | M113-L148 HydrophobicContact CB-CD1 4.45Å; N119-L148 HydrophobicContact CB-CD2 4.13Å; L148-Y150 PolarHBondContact O-N 2.88Å; L148-Y150 VanDerWaalsContact O-N 3.13Å; L148-Q176 HydrophobicContact CD1-CB 4.06Å; L148-I178 HydrophobicContact CD1-CD1 4.06Å |
| 149 | H | 94.4 | Very high | 94.9 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 119 | -176.8 | -67.5 | 33.8 | 0 | 0 | 0 | 109.4 | R151 Q176 | H149-R151 PolarHBondContact O-N 3.49Å; H149-Q176 PolarHBondContact ND1-NE2 3.39Å |
| 150 | Y | 93.1 | Very high | 95 | Very high | 171 Ų | 171 | 72.3 Ų | 72.3 | 67% | 0.671 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 133.3 | -176.5 | 177 | -103.6 | 0 | 0 | 0 | 111.9 | L148 | L148-Y150 PolarHBondContact O-N 2.88Å; L148-Y150 VanDerWaalsContact O-N 3.13Å |
| 151 | R | 92.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 77 Ų | 77 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | trans | -128.5 | 137.9 | 170 | -70.6 | 177.6 | 166.1 | 170.8 | -0.6 | 108 | E115 H149 L155 Q156 | E115-R151 IonicContact OE1-CZ 3.52Å; E115-R151 IonicContact OE1-NH1 2.66Å; E115-R151 PolarHBondContact OE1-NH1 3.35Å; E115-R151 IonicContact OE2-NH1 3.31Å; E115-R151 PolarHBondContact OE2-NH1 2.97Å; H149-R151 PolarHBondContact O-N 3.49Å; R151-L155 HydrophobicContact CB-CD2 4.42Å; R151-L155 HydrophobicContact CG-CD2 4.37Å; R151-Q156 HydrophobicContact CB-CG 3.92Å; R151-Q156 PolarHBondContact O-NE2 2.82Å | ||
| 152 | S | 94.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 81.5 Ų | 81.5 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | trans | -69.5 | 149.9 | 175.4 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | L154 L155 Q156 | S152-L154 PolarHBondContact O-N 2.98Å; S152-L155 WeakPolarHBondContact O-CA 3.47Å; S152-L155 WeakPolarHBondContact O-CB 3.23Å; S152-L155 PolarHBondContact O-N 2.83Å; S152-L155 WeakPolarHBondContact OG-CB 3.46Å; S152-L155 PolarHBondContact OG-N 3.15Å; S152-Q156 WeakPolarHBondContact O-CG 3.45Å; S152-Q156 PolarHBondContact O-N 3.31Å | ||
| 153 | S | 94.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 84.8 Ų | 84.8 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.1 | -34.4 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | T157 | S153-T157 WeakPolarHBondContact O-CB 3.43Å; S153-T157 PolarHBondContact O-N 2.8Å; S153-T157 PolarHBondContact O-OG1 3.32Å |
| 154 | L | 95.9 | Very high | 95.2 | Very high | 117 Ų | 117 | 85 Ų | 85 | 61% | 0.613 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | 172.5 | -177.5 | 66.1 | 0 | 0 | 0 | 111.5 | S152 T157 L158 | S152-L154 PolarHBondContact O-N 2.98Å; L154-T157 PolarHBondContact O-N 2.84Å; L154-L158 HydrophobicContact CD1-CD1 4.34Å; L154-L158 HydrophobicContact CG-CD1 4.07Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 WeakPolarHBondContact O-CG 3.37Å; L154-L158 PolarHBondContact O-N 2.86Å |
| 155 | L | 94.9 | Very high | 95.1 | Very high | 91 Ų | 91 | 83.8 Ų | 83.8 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 178.5 | -177.3 | 65.2 | 0 | 0 | 0 | 111.9 | R151 S152 T157 L158 S159 | R151-L155 HydrophobicContact CB-CD2 4.42Å; R151-L155 HydrophobicContact CG-CD2 4.37Å; S152-L155 WeakPolarHBondContact O-CA 3.47Å; S152-L155 WeakPolarHBondContact O-CB 3.23Å; S152-L155 PolarHBondContact O-N 2.83Å; S152-L155 WeakPolarHBondContact OG-CB 3.46Å; S152-L155 PolarHBondContact OG-N 3.15Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 2.88Å; L155-L158 PolarHBondContact O-N 3.42Å; L155-S159 WeakPolarHBondContact O-CB 3.33Å; L155-S159 PolarHBondContact O-N 3.35Å |
| 156 | Q | 93.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 83.6 Ų | 83.6 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 172.6 | -66.7 | 169.7 | 12.3 | 0 | 0 | 110.8 | E120 R151 S152 T160 | E120-Q156 PolarHBondContact OE1-NE2 3.39Å; R151-Q156 HydrophobicContact CB-CG 3.92Å; R151-Q156 PolarHBondContact O-NE2 2.82Å; S152-Q156 WeakPolarHBondContact O-CG 3.45Å; S152-Q156 PolarHBondContact O-N 3.31Å; Q156-T160 VanDerWaalsContact O-CB 3.3Å; Q156-T160 WeakPolarHBondContact O-CB 3.41Å; Q156-T160 PolarHBondContact O-N 3.42Å; Q156-T160 PolarHBondContact O-OG1 2.96Å |
| 157 | T | 95.1 | Very high | 95.1 | Very high | 92 Ų | 92 | 84.9 Ų | 84.9 | 56% | 0.564 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.1 | -49.7 | 178.4 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | S153 L154 L155 T160 L161 | S153-T157 WeakPolarHBondContact O-CB 3.43Å; S153-T157 PolarHBondContact O-N 2.8Å; S153-T157 PolarHBondContact O-OG1 3.32Å; L154-T157 PolarHBondContact O-N 2.84Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 2.88Å; T157-T160 PolarHBondContact O-N 2.98Å; T157-L161 WeakPolarHBondContact O-CB 3.33Å; T157-L161 PolarHBondContact O-N 3.35Å |
| 158 | L | 96.6 | Very high | 95.1 | Very high | 98 Ų | 98 | 88.5 Ų | 88.5 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 179 | -72 | 171.3 | 0 | 0 | 0 | 112.1 | L154 L155 L161 F162 | L154-L158 HydrophobicContact CD1-CD1 4.34Å; L154-L158 HydrophobicContact CG-CD1 4.07Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 WeakPolarHBondContact O-CG 3.37Å; L154-L158 PolarHBondContact O-N 2.86Å; L155-L158 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 3.44Å; L158-F162 VanDerWaalsContact O-CB 3.27Å; L158-F162 WeakPolarHBondContact O-CB 3.34Å; L158-F162 PolarHBondContact O-N 2.91Å |
| 159 | S | 94.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 92.4 Ų | 92.4 | 27% | 0.266 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | L155 L161 F162 F163 | L155-S159 WeakPolarHBondContact O-CB 3.33Å; L155-S159 PolarHBondContact O-N 3.35Å; S159-L161 PolarHBondContact O-N 2.9Å; S159-F162 PolarHBondContact O-N 3.22Å; S159-F163 WeakPolarHBondContact O-CB 3.48Å; S159-F163 WeakPolarHBondContact O-CD2 3.25Å; S159-F163 PolarHBondContact O-N 2.75Å |
| 160 | T | 95.4 | Very high | 95.2 | Very high | 53 Ų | 53 | 89.2 Ų | 89.2 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | Q156 T157 S164 L167 Q174 | Q156-T160 VanDerWaalsContact O-CB 3.3Å; Q156-T160 WeakPolarHBondContact O-CB 3.41Å; Q156-T160 PolarHBondContact O-N 3.42Å; Q156-T160 PolarHBondContact O-OG1 2.96Å; T157-T160 PolarHBondContact O-N 2.98Å; T160-S164 VanDerWaalsContact O-CA 3.3Å; T160-S164 WeakPolarHBondContact O-CA 3.33Å; T160-S164 VanDerWaalsContact O-CB 3.27Å; T160-S164 WeakPolarHBondContact O-CB 3.4Å; T160-S164 PolarHBondContact O-N 3.48Å; T160-L167 HydrophobicContact CG2-CD1 3.98Å; T160-Q174 PolarHBondContact OG1-NE2 3.47Å; T160-Q174 VanDerWaalsContact OG1-NE2 3.09Å |
| 161 | L | 96.4 | Very high | 95.2 | Very high | 125 Ų | 125 | 88.6 Ų | 88.6 | 65% | 0.654 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -47.5 | 175 | -177.5 | 64.1 | 0 | 0 | 0 | 111.6 | T157 L158 S159 S164 | T157-L161 WeakPolarHBondContact O-CB 3.33Å; T157-L161 PolarHBondContact O-N 3.35Å; L158-L161 PolarHBondContact O-N 3.44Å; S159-L161 PolarHBondContact O-N 2.9Å; L161-S164 VanDerWaalsContact O-CB 3.32Å; L161-S164 WeakPolarHBondContact O-CB 3.27Å; L161-S164 PolarHBondContact O-N 2.76Å; L161-S164 PolarHBondContact O-OG 3.44Å |
| 162 | F | 96.4 | Very high | 95.3 | Very high | 158 Ų | 158 | 85.3 Ų | 85.3 | 69% | 0.693 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | -178.3 | -176.6 | -97.7 | 0 | 0 | 0 | 112.6 | L158 S159 S164 | L158-F162 VanDerWaalsContact O-CB 3.27Å; L158-F162 WeakPolarHBondContact O-CB 3.34Å; L158-F162 PolarHBondContact O-N 2.91Å; S159-F162 PolarHBondContact O-N 3.22Å; F162-S164 VanDerWaalsContact C-N 3.32Å |
| 163 | F | 96.1 | Very high | 95.1 | Very high | 92 Ų | 92 | 89.2 Ų | 89.2 | 40% | 0.404 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.8 | 177 | -65 | -66.5 | 0 | 0 | 0 | 113.8 | S159 P165 L166 L167 | S159-F163 WeakPolarHBondContact O-CB 3.48Å; S159-F163 WeakPolarHBondContact O-CD2 3.25Å; S159-F163 PolarHBondContact O-N 2.75Å; F163-P165 VanDerWaalsContact C-N 3.32Å; F163-P165 VanDerWaalsContact O-N 3.16Å; F163-L166 HydrophobicContact CD1-CD2 4.42Å; F163-L166 PolarHBondContact O-N 3.01Å; F163-L167 HydrophobicContact CB-CG 4.47Å; F163-L167 WeakPolarHBondContact O-CG 3.46Å; F163-L167 PolarHBondContact O-N 2.99Å |
| 164 | S | 96.8 | Very high | 95 | Very high | 41 Ų | 41 | 90.5 Ų | 90.5 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -52 | -37.5 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 114.9 | T160 L161 F162 L166 L167 L168 | T160-S164 VanDerWaalsContact O-CA 3.3Å; T160-S164 WeakPolarHBondContact O-CA 3.33Å; T160-S164 VanDerWaalsContact O-CB 3.27Å; T160-S164 WeakPolarHBondContact O-CB 3.4Å; T160-S164 PolarHBondContact O-N 3.48Å; L161-S164 VanDerWaalsContact O-CB 3.32Å; L161-S164 WeakPolarHBondContact O-CB 3.27Å; L161-S164 PolarHBondContact O-N 2.76Å; L161-S164 PolarHBondContact O-OG 3.44Å; F162-S164 VanDerWaalsContact C-N 3.32Å; S164-L166 VanDerWaalsContact C-N 3.35Å; S164-L166 PolarHBondContact O-N 2.99Å; S164-L167 PolarHBondContact O-N 2.81Å; S164-L168 WeakPolarHBondContact O-CB 3.12Å; S164-L168 VanDerWaalsContact O-CG 3.25Å; S164-L168 WeakPolarHBondContact O-CG 3.13Å; S164-L168 PolarHBondContact O-N 3.32Å |
| 165 | P | 96.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 88.8 Ų | 88.8 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 177.4 | -19.1 | 34.1 | 0 | 0 | 0 | 112.6 | F163 T169 | F163-P165 VanDerWaalsContact C-N 3.32Å; F163-P165 VanDerWaalsContact O-N 3.16Å; P165-T169 WeakPolarHBondContact O-CB 3.33Å; P165-T169 VanDerWaalsContact O-CG2 3.3Å; P165-T169 WeakPolarHBondContact O-CG2 3.12Å; P165-T169 PolarHBondContact O-N 2.86Å; P165-T169 VanDerWaalsContact O-N 3.16Å; P165-T169 PolarHBondContact O-OG1 3.48Å |
| 166 | L | 96.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 85.6 Ų | 85.6 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74.6 | -37 | 178.6 | -82.3 | 66.9 | 0 | 0 | 0 | 111.3 | F163 S164 T169 G170 M171 A172 | F163-L166 HydrophobicContact CD1-CD2 4.42Å; F163-L166 PolarHBondContact O-N 3.01Å; S164-L166 VanDerWaalsContact C-N 3.35Å; S164-L166 PolarHBondContact O-N 2.99Å; L166-T169 WeakPolarHBondContact CA-OG1 3.43Å; L166-T169 PolarHBondContact O-OG1 3.47Å; L166-G170 PolarHBondContact O-N 3.31Å; L166-M171 HydrophobicContact CB-CB 4.46Å; L166-M171 PolarHBondContact O-N 2.93Å; L166-A172 HydrophobicContact CB-CB 4.02Å; L166-A172 PolarHBondContact O-N 2.87Å; L166-A172 VanDerWaalsContact O-N 3.15Å |
| 167 | L | 95 | Very high | 95 | Very high | 46 Ų | 46 | 88.5 Ų | 88.5 | 24% | 0.241 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.5 | -46.3 | 175.7 | -64.8 | 173.9 | 0 | 0 | 0 | 111.3 | T160 F163 S164 T169 G170 A172 Q174 | T160-L167 HydrophobicContact CG2-CD1 3.98Å; F163-L167 HydrophobicContact CB-CG 4.47Å; F163-L167 WeakPolarHBondContact O-CG 3.46Å; F163-L167 PolarHBondContact O-N 2.99Å; S164-L167 PolarHBondContact O-N 2.81Å; L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.36Å; L167-G170 PolarHBondContact O-N 2.99Å; L167-G170 VanDerWaalsContact O-N 3.15Å; L167-A172 HydrophobicContact CD2-CB 4.1Å; L167-A172 WeakPolarHBondContact CD2-O 3.31Å; L167-Q174 HydrophobicContact CD1-CG 4.42Å; L167-Q174 HydrophobicContact CD2-CG 4.05Å |
| 168 | L | 95.8 | Very high | 95.1 | Very high | 153 Ų | 153 | 84.2 Ų | 84.2 | 80% | 0.801 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.3 | -28.3 | 179.9 | -70.5 | 172.1 | 0 | 0 | 0 | 113.5 | S164 G170 | S164-L168 WeakPolarHBondContact O-CB 3.12Å; S164-L168 VanDerWaalsContact O-CG 3.25Å; S164-L168 WeakPolarHBondContact O-CG 3.13Å; S164-L168 PolarHBondContact O-N 3.32Å; L168-G170 VanDerWaalsContact C-N 3.31Å |
| 169 | T | 96 | Very high | 95.1 | Very high | 97 Ų | 97 | 84.3 Ų | 84.3 | 60% | 0.595 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.6 | 174.3 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | P165 L166 L167 M171 | P165-T169 WeakPolarHBondContact O-CB 3.33Å; P165-T169 VanDerWaalsContact O-CG2 3.3Å; P165-T169 WeakPolarHBondContact O-CG2 3.12Å; P165-T169 PolarHBondContact O-N 2.86Å; P165-T169 VanDerWaalsContact O-N 3.16Å; P165-T169 PolarHBondContact O-OG1 3.48Å; L166-T169 WeakPolarHBondContact CA-OG1 3.43Å; L166-T169 PolarHBondContact O-OG1 3.47Å; L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.36Å; T169-M171 PolarHBondContact O-N 2.9Å; T169-M171 WeakPolarHBondContact OG1-CG 3.27Å |
| 170 | G | 94.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 83 Ų | 83 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 10.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L166 L167 L168 A172 | L166-G170 PolarHBondContact O-N 3.31Å; L167-G170 PolarHBondContact O-N 2.99Å; L167-G170 VanDerWaalsContact O-N 3.15Å; L168-G170 VanDerWaalsContact C-N 3.31Å; G170-A172 VanDerWaalsContact C-N 3.27Å |
| 171 | M | 93.7 | Very high | 95.2 | Very high | 158 Ų | 158 | 83.6 Ų | 83.6 | 78% | 0.778 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -75.7 | -17.7 | 177.5 | -65.9 | -67.2 | -69.3 | 0 | 0 | 112.5 | L166 T169 | L166-M171 HydrophobicContact CB-CB 4.46Å; L166-M171 PolarHBondContact O-N 2.93Å; T169-M171 PolarHBondContact O-N 2.9Å; T169-M171 WeakPolarHBondContact OG1-CG 3.27Å |
| 172 | A | 93.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 77.7 Ų | 77.7 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -138.3 | 152.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L166 L167 G170 | L166-A172 HydrophobicContact CB-CB 4.02Å; L166-A172 PolarHBondContact O-N 2.87Å; L166-A172 VanDerWaalsContact O-N 3.15Å; L167-A172 HydrophobicContact CD2-CB 4.1Å; L167-A172 WeakPolarHBondContact CD2-O 3.31Å; G170-A172 VanDerWaalsContact C-N 3.27Å |
| 173 | E | 91.8 | Very high | 95.1 | Very high | 127 Ų | 127 | 71.7 Ų | 71.7 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | trans | -126.6 | 147.9 | 179.2 | -65.5 | 178.9 | 150 | 0 | 0 | 110.4 | K175 | E173-K175 VanDerWaalsContact C-N 3.28Å; E173-K175 HydrophobicContact CB-CD 4.03Å; E173-K175 HydrophobicContact CB-CG 4.2Å; E173-K175 PolarHBondContact O-N 2.87Å; E173-K175 WeakPolarHBondContact OE2-CD 3.3Å; E173-K175 WeakPolarHBondContact OE2-CE 3.47Å; E173-K175 IonicContact OE2-NZ 3.32Å; E173-K175 PolarHBondContact OE2-NZ 3.48Å | ||
| 174 | Q | 91.6 | Very high | 95 | Very high | 111 Ų | 111 | 70.1 Ų | 70.1 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -79.9 | 72.7 | 176.9 | -72 | 178.7 | -42.4 | 0 | 0 | 111.6 | E115 T160 L167 | E115-Q174 PolarHBondContact N-O 2.95Å; T160-Q174 PolarHBondContact OG1-NE2 3.47Å; T160-Q174 VanDerWaalsContact OG1-NE2 3.09Å; L167-Q174 HydrophobicContact CD1-CG 4.42Å; L167-Q174 HydrophobicContact CD2-CG 4.05Å |
| 175 | K | 93.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 35% | 0.352 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.5 | -179.3 | 66 | -171 | -175 | 179.9 | 0 | 112.4 | E112 E173 Y209 | E112-K175 HydrophobicContact CG-CD 4.26Å; E112-K175 VanDerWaalsContact OE1-CD 3.27Å; E112-K175 WeakPolarHBondContact OE1-CD 3.39Å; E112-K175 WeakPolarHBondContact OE1-CE 3.38Å; E112-K175 IonicContact OE1-NZ 2.66Å; E112-K175 PolarHBondContact OE1-NZ 3.42Å; E173-K175 VanDerWaalsContact C-N 3.28Å; E173-K175 HydrophobicContact CB-CD 4.03Å; E173-K175 HydrophobicContact CB-CG 4.2Å; E173-K175 PolarHBondContact O-N 2.87Å; E173-K175 WeakPolarHBondContact OE2-CD 3.3Å; E173-K175 WeakPolarHBondContact OE2-CE 3.47Å; E173-K175 IonicContact OE2-NZ 3.32Å; E173-K175 PolarHBondContact OE2-NZ 3.48Å; K175-Y209 HydrophobicContact CB-CE2 4.39Å |
| 176 | Q | 94.7 | Very high | 94.6 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 12% | 0.117 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.9 | 177.4 | -170.8 | 179.1 | -6.9 | 0 | 0 | 110.9 | M113 L148 H149 I178 | M113-Q176 PolarHBondContact N-O 3.1Å; M113-Q176 PolarHBondContact O-N 2.95Å; L148-Q176 HydrophobicContact CD1-CB 4.06Å; H149-Q176 PolarHBondContact ND1-NE2 3.39Å; Q176-I178 HydrophobicContact CG-CG1 4.33Å |
| 177 | L | 96.2 | Very high | 94.3 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 59% | 0.592 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.2 | 166.5 | -61.8 | 174.1 | 0 | 0 | 0 | 109.1 | V110 L111 E112 | V110-L177 HydrophobicContact CG1-CB 4.38Å; V110-L177 HydrophobicContact CG1-CD2 4.3Å; L111-L177 CarbonylContact O-C 3.59Å; L111-L177 WeakPolarHBondContact O-CA 3.39Å; E112-L177 HydrophobicContact CB-CD2 3.8Å; E112-L177 HydrophobicContact CG-CD2 3.89Å |
| 178 | I | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.2 | 176.5 | -50.7 | 176.9 | 0 | 0 | 0 | 108 | V110 L111 M113 T146 L148 Q176 V180 | V110-I178 WeakPolarHBondContact CA-O 3.49Å; L111-I178 PolarHBondContact N-O 3.47Å; L111-I178 PolarHBondContact O-N 2.84Å; M113-I178 HydrophobicContact SD-CD1 3.69Å; T146-I178 WeakPolarHBondContact OG1-CG2 3.15Å; L148-I178 HydrophobicContact CD1-CD1 4.06Å; Q176-I178 HydrophobicContact CG-CG1 4.33Å; I178-V180 HydrophobicContact CG2-CG2 4Å |
| 179 | E | 96.4 | Very high | 93.7 | Very high | 99 Ų | 99 | 66.5 Ų | 66.5 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.8 | 171.2 | -175.3 | 165.9 | -174.9 | 0 | 0 | 110.5 | S108 I109 V110 | S108-E179 VanDerWaalsContact CB-OE1 3.24Å; S108-E179 WeakPolarHBondContact CB-OE1 3.25Å; S108-E179 PolarHBondContact OG-OE1 2.99Å; I109-E179 CarbonylContact O-C 3.59Å; I109-E179 WeakPolarHBondContact O-CA 3.36Å; V110-E179 HydrophobicContact CG2-CB 4.16Å; V110-E179 HydrophobicContact CG2-CG 4.02Å |
| 180 | V | 96.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.2 | 178.8 | -175 | 0 | 0 | 0 | 0 | 109.2 | S108 I109 I127 R144 T146 I178 L182 | S108-V180 CarbonylContact C-O 3.56Å; S108-V180 VanDerWaalsContact CA-O 3.26Å; S108-V180 WeakPolarHBondContact CA-O 3.36Å; I109-V180 HydrophobicContact CG2-CB 3.91Å; I109-V180 PolarHBondContact N-O 2.79Å; I109-V180 PolarHBondContact O-N 2.87Å; I127-V180 HydrophobicContact CD1-CB 4.14Å; I127-V180 HydrophobicContact CD1-CG1 4.35Å; I127-V180 HydrophobicContact CD1-CG2 3.88Å; R144-V180 HydrophobicContact CB-CG1 3.77Å; R144-V180 HydrophobicContact CG-CG1 4.37Å; T146-V180 HydrophobicContact CG2-CG2 3.87Å; T146-V180 VanDerWaalsContact OG1-CG2 3.31Å; T146-V180 WeakPolarHBondContact OG1-CG2 3.32Å; I178-V180 HydrophobicContact CG2-CG2 4Å; V180-L182 PolarHBondContact O-N 2.81Å |
| 181 | E | 96.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 111.8 | 175.7 | 179.1 | 167.5 | -161.4 | 0 | 0 | 110.9 | R106 R144 P184 | R106-E181 WeakPolarHBondContact CG-OE1 3.25Å; R106-E181 IonicContact CZ-OE1 2.72Å; R106-E181 IonicContact CZ-OE2 3.17Å; R106-E181 IonicContact NE-OE1 2.71Å; R106-E181 PolarHBondContact NE-OE1 3.3Å; R106-E181 IonicContact NE-OE2 2.77Å; R106-E181 PolarHBondContact NE-OE2 3.09Å; R106-E181 IonicContact NH2-OE1 3.44Å; R106-E181 IonicContact NH2-OE2 3.38Å; R106-E181 PolarHBondContact NH2-OE2 3.35Å; R144-E181 WeakPolarHBondContact CG-O 3.37Å; R144-E181 PolarHBondContact NE-O 3.45Å; E181-P184 VanDerWaalsContact OE1-CA 3.32Å; E181-P184 WeakPolarHBondContact OE1-CA 3.19Å; E181-P184 WeakPolarHBondContact OE1-CB 3.29Å |
| 182 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -58.6 | -179.4 | -63 | 169.4 | 0 | 0 | 0 | 109.7 | V107 I109 I127 M129 V142 R144 V180 L213 | V107-L182 PolarHBondContact O-N 3.12Å; I109-L182 HydrophobicContact CB-CD1 4.07Å; I109-L182 HydrophobicContact CG2-CD1 3.9Å; I109-L182 HydrophobicContact CG2-CD2 4.36Å; I109-L182 HydrophobicContact CG2-CG 4.12Å; I127-L182 HydrophobicContact CG2-CD2 4.26Å; M129-L182 HydrophobicContact CB-CD1 3.94Å; M129-L182 HydrophobicContact CE-CB 4.33Å; M129-L182 HydrophobicContact CE-CD1 4.16Å; M129-L182 HydrophobicContact CG-CD1 4.41Å; M129-L182 HydrophobicContact SD-CD1 3.7Å; V142-L182 HydrophobicContact CG1-CB 4.04Å; R144-L182 HydrophobicContact CB-CD2 4.27Å; R144-L182 HydrophobicContact CG-CD2 3.95Å; R144-L182 PolarHBondContact NE-O 3.47Å; R144-L182 PolarHBondContact NH2-O 3.46Å; V180-L182 PolarHBondContact O-N 2.81Å; L182-L213 HydrophobicContact CD1-CD1 4.1Å |
| 183 | Y | 95.3 | Very high | 92.5 | Very high | 32 Ų | 32 | 70.3 Ų | 70.3 | 13% | 0.125 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130 | 175.7 | -71.3 | -71.1 | 0 | 0 | 0 | 111.3 | R106 V107 M129 S140 S141 V142 Y186 | R106-Y183 CarbonylContact C-O 3.59Å; R106-Y183 WeakPolarHBondContact CA-O 3.14Å; V107-Y183 PolarHBondContact N-O 3.4Å; V107-Y183 PolarHBondContact O-N 3.5Å; M129-Y183 HydrophobicContact CE-CD2 3.49Å; M129-Y183 VanDerWaalsContact CE-CD2 3.49Å; M129-Y183 HydrophobicContact CE-CE2 3.49Å; M129-Y183 VanDerWaalsContact CE-CE2 3.49Å; S140-Y183 WeakPolarHBondContact CB-OH 3.14Å; S140-Y183 PolarHBondContact OG-OH 3.23Å; S141-Y183 VanDerWaalsContact C-OH 3.24Å; S141-Y183 PolarHBondContact N-OH 3.05Å; S141-Y183 PolarHBondContact O-OH 3.05Å; V142-Y183 HydrophobicContact CB-CE1 3.84Å; V142-Y183 HydrophobicContact CB-CE2 4.18Å; V142-Y183 HydrophobicContact CG1-CD1 4.44Å; V142-Y183 HydrophobicContact CG1-CD2 3.96Å; V142-Y183 HydrophobicContact CG1-CE1 4Å; V142-Y183 HydrophobicContact CG1-CE2 3.48Å; V142-Y183 VanDerWaalsContact CG1-CE2 3.48Å; V142-Y183 HydrophobicContact CG1-CG 4.41Å; V142-Y183 VanDerWaalsContact CG1-CZ 3.48Å; V142-Y183 HydrophobicContact CG2-CE1 4.43Å; Y183-Y186 HydrophobicContact CD1-CD2 4.16Å; Y183-Y186 AromaticContact CD2-CD2 3.82Å; Y183-Y186 HydrophobicContact CD2-CD2 3.82Å; Y183-Y186 HydrophobicContact CD2-CE2 4.49Å; Y183-Y186 HydrophobicContact CD2-CG 4.33Å; Y183-Y186 HydrophobicContact CE1-CD2 4.32Å; Y183-Y186 AromaticContact CE2-CD2 3.98Å; Y183-Y186 HydrophobicContact CE2-CD2 3.98Å; Y183-Y186 HydrophobicContact CE2-CE2 4.21Å; Y183-Y186 AromaticContact CG-CD2 3.93Å; Y183-Y186 HydrophobicContact CG-CD2 3.93Å; Y183-Y186 HydrophobicContact CG-CG 4.42Å |
| 184 | P | 92.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -46.7 | 172.3 | 28.6 | -31.8 | 0 | 0 | 0 | 112.5 | R106 E181 | R106-P184 VanDerWaalsContact CA-O 3.27Å; R106-P184 WeakPolarHBondContact CA-O 3.23Å; R106-P184 WeakPolarHBondContact CB-O 3.37Å; E181-P184 VanDerWaalsContact OE1-CA 3.32Å; E181-P184 WeakPolarHBondContact OE1-CA 3.19Å; E181-P184 WeakPolarHBondContact OE1-CB 3.29Å |
| 185 | D | 92.3 | Very high | 92.4 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 61.8 | -175 | -76.9 | -59.7 | 0 | 0 | 0 | 111.3 | P104 | P104-D185 HydrophobicContact CB-CB 4.45Å |
| 186 | Y | 92.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 132.5 | 174.3 | -167.7 | -107.6 | 0 | 0 | 0 | 111 | M99 P104 Y105 S140 Y183 T194 | M99-Y186 HydrophobicContact CE-CE1 4.29Å; M99-Y186 HydrophobicContact SD-CD1 3.92Å; M99-Y186 HydrophobicContact SD-CE1 4.2Å; P104-Y186 CarbonylContact C-O 3.55Å; P104-Y186 WeakPolarHBondContact CA-O 3.46Å; Y105-Y186 PolarHBondContact N-O 3.36Å; Y105-Y186 WeakPolarHBondContact O-CB 3.31Å; Y105-Y186 PolarHBondContact O-N 3.45Å; S140-Y186 WeakPolarHBondContact OG-CE2 3.24Å; Y183-Y186 HydrophobicContact CD1-CD2 4.16Å; Y183-Y186 AromaticContact CD2-CD2 3.82Å; Y183-Y186 HydrophobicContact CD2-CD2 3.82Å; Y183-Y186 HydrophobicContact CD2-CE2 4.49Å; Y183-Y186 HydrophobicContact CD2-CG 4.33Å; Y183-Y186 HydrophobicContact CE1-CD2 4.32Å; Y183-Y186 AromaticContact CE2-CD2 3.98Å; Y183-Y186 HydrophobicContact CE2-CD2 3.98Å; Y183-Y186 HydrophobicContact CE2-CE2 4.21Å; Y183-Y186 AromaticContact CG-CD2 3.93Å; Y183-Y186 HydrophobicContact CG-CD2 3.93Å; Y183-Y186 HydrophobicContact CG-CG 4.42Å; Y186-T194 PolarHBondContact OH-OG1 3.03Å |
| 187 | K | 91.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 50% | 0.504 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.8 | 178 | -67.4 | 176.6 | -175.1 | 173.6 | 0 | 110.1 | P104 | P104-K187 HydrophobicContact CB-CG 4.25Å |
| 188 | T | 88.9 | Confident | 92.4 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -82.4 | 131.3 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | G102 | G102-T188 PolarHBondContact N-O 3Å |
| 189 | N | 87.8 | Confident | 92.5 | Very high | 94 Ų | 94 | 52 Ų | 52 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | trans | -88 | 135.4 | 178 | -70.3 | -37.4 | 0 | 0 | 0 | 111 | Y191 H192 P193 | N189-Y191 PolarHBondContact O-N 2.99Å; N189-H192 CarbonylContact O-C 3.17Å; N189-H192 PolarHBondContact O-N 3.37Å; N189-P193 WeakPolarHBondContact O-CA 3.4Å | ||
| 190 | A | 87.2 | Confident | 92.5 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 56% | 0.562 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -65.4 | -35.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 191 | Y | 87.6 | Confident | 92.4 | Very high | 212 Ų | 212 | 49.1 Ų | 49.1 | 83% | 0.831 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -74.2 | -29.5 | 178.6 | -60 | -76.5 | 0 | 0 | 0 | 113.4 | N189 | N189-Y191 PolarHBondContact O-N 2.99Š|
| 192 | H | 88.2 | Confident | 92.4 | Very high | 117 Ų | 117 | 48.7 Ų | 48.7 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -131.2 | 74.1 | -180 | -66.5 | -42.4 | 0 | 0 | 0 | 109.2 | T133 N189 T194 | T133-H192 HydrophobicContact CG2-CB 4.14Å; N189-H192 CarbonylContact O-C 3.17Å; N189-H192 PolarHBondContact O-N 3.37Å; H192-T194 PolarHBondContact O-N 3.44Å |
| 193 | P | 88.8 | Confident | 92.2 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 20% | 0.195 | 25% | 0.251 | C | S | . | . | trans | -67.2 | 133.4 | -178.3 | 27.3 | -34.3 | 0 | 0 | 0 | 110.5 | N189 V195 | N189-P193 WeakPolarHBondContact O-CA 3.4Å; P193-V195 PolarHBondContact O-N 2.87Å | ||
| 194 | T | 90.9 | Very high | 92 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | trans | -77.1 | 120.1 | 177.5 | -49.9 | 0 | 0 | 0 | 0 | 109.7 | F90 C131 Y186 H192 | F90-T194 HydrophobicContact CD2-CG2 3.89Å; F90-T194 HydrophobicContact CE2-CG2 3.92Å; C131-T194 HydrophobicContact CB-CG2 3.63Å; Y186-T194 PolarHBondContact OH-OG1 3.03Å; H192-T194 PolarHBondContact O-N 3.44Å | ||
| 195 | V | 91.3 | Very high | 91.9 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | trans | -93.5 | -30.6 | -175.2 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | F90 M91 Y132 K134 P193 | F90-V195 PolarHBondContact N-O 3.5Å; M91-V195 HydrophobicContact CG-CG1 4.23Å; M91-V195 HydrophobicContact SD-CG1 3.96Å; Y132-V195 HydrophobicContact CE2-CB 4.39Å; Y132-V195 HydrophobicContact CE2-CG1 4.44Å; Y132-V195 PolarHBondContact O-N 2.93Å; K134-V195 HydrophobicContact CB-CG2 4.14Å; K134-V195 HydrophobicContact CD-CG2 4.47Å; K134-V195 HydrophobicContact CG-CG2 3.3Å; K134-V195 VanDerWaalsContact N-CG2 3.29Å; P193-V195 PolarHBondContact O-N 2.87Å | ||
| 196 | G | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I88 F90 C131 Y132 | I88-G196 CarbonylContact O-C 3.56Å; I88-G196 WeakPolarHBondContact O-CA 3.32Å; F90-G196 VanDerWaalsContact CE2-C 3.45Å; C131-G196 WeakPolarHBondContact CA-O 3.41Å; Y132-G196 WeakPolarHBondContact CD1-O 3.49Å; Y132-G196 PolarHBondContact N-O 3.32Å |
| 197 | A | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | N87 I88 F90 M129 S130 | N87-A197 PolarHBondContact OD1-O 2.88Å; I88-A197 HydrophobicContact CG1-CB 4.32Å; I88-A197 WeakPolarHBondContact CG1-O 3.24Å; I88-A197 PolarHBondContact N-O 2.85Å; I88-A197 PolarHBondContact O-N 2.67Å; F90-A197 HydrophobicContact CE2-CB 3.86Å; F90-A197 HydrophobicContact CZ-CB 3.57Å; M129-A197 HydrophobicContact CG-CB 3.75Å; M129-A197 HydrophobicContact SD-CB 3.99Å; S130-A197 CarbonylContact O-C 3.47Å; S130-A197 VanDerWaalsContact O-CA 3.27Å; S130-A197 WeakPolarHBondContact O-CA 3.21Å |
| 198 | V | 96 | Very high | 92.1 | Very high | 49 Ų | 49 | 52.5 Ų | 52.5 | 30% | 0.297 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.1 | 165.6 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | A86 M129 S130 Y132 | A86-V198 CarbonylContact O-C 3.59Å; A86-V198 WeakPolarHBondContact O-CA 3.11Å; M129-V198 CarbonylContact C-O 3.56Å; M129-V198 WeakPolarHBondContact CA-O 3.36Å; S130-V198 PolarHBondContact N-O 3.31Å; S130-V198 PolarHBondContact O-N 2.84Å; Y132-V198 HydrophobicContact CD1-CG2 4.16Å; Y132-V198 HydrophobicContact CE1-CG2 4.09Å |
| 199 | I | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.7 | 176.2 | -60 | 164 | 0 | 0 | 0 | 107.5 | V65 F67 T85 A86 I88 I109 I127 K128 M129 L213 | V65-I199 HydrophobicContact CG1-CD1 3.97Å; V65-I199 HydrophobicContact CG2-CD1 4.06Å; F67-I199 HydrophobicContact CE1-CB 4.41Å; F67-I199 HydrophobicContact CE1-CG2 3.97Å; F67-I199 HydrophobicContact CZ-CG2 4.12Å; T85-I199 CarbonylContact C-O 3.59Å; T85-I199 VanDerWaalsContact CA-O 3.31Å; T85-I199 WeakPolarHBondContact CA-O 3.34Å; A86-I199 PolarHBondContact N-O 2.94Å; A86-I199 PolarHBondContact O-N 3.09Å; I88-I199 HydrophobicContact CD1-CD1 3.66Å; I88-I199 HydrophobicContact CD1-CG1 4.48Å; I88-I199 HydrophobicContact CG1-CD1 4.34Å; I109-I199 HydrophobicContact CD1-CD1 4.24Å; I109-I199 HydrophobicContact CD1-CG2 3.91Å; I127-I199 HydrophobicContact CG2-CG2 3.93Å; K128-I199 CarbonylContact O-C 3.54Å; K128-I199 WeakPolarHBondContact O-CA 3.22Å; M129-I199 HydrophobicContact CB-CG1 4.34Å; M129-I199 HydrophobicContact CG-CG1 3.87Å; M129-I199 HydrophobicContact SD-CG1 4.25Å; I199-L213 HydrophobicContact CD1-CD1 4.15Å |
| 200 | E | 96.4 | Very high | 92.8 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.7 | 179.5 | -177.4 | -177.9 | -178.2 | 0 | 0 | 108.9 | F83 P84 T85 K128 H202 | F83-E200 HydrophobicContact CB-CG 3.98Å; F83-E200 VanDerWaalsContact CD2-OE1 3.25Å; F83-E200 WeakPolarHBondContact CD2-OE1 3.32Å; P84-E200 WeakPolarHBondContact O-CA 3.42Å; T85-E200 HydrophobicContact CG2-CB 4.16Å; T85-E200 HydrophobicContact CG2-CG 3.94Å; K128-E200 PolarHBondContact N-O 2.76Å; K128-E200 PolarHBondContact O-N 3.35Å; E200-H202 IonicContact OE1-CE1 3.66Å; E200-H202 PolarHBondContact OE1-CE1 3.08Å; E200-H202 IonicContact OE1-ND1 3.69Å; E200-H202 PolarHBondContact OE1-ND1 2.8Å; E200-H202 IonicContact OE2-CE1 3.36Å; E200-H202 PolarHBondContact OE2-CE1 3.11Å; E200-H202 IonicContact OE2-NE2 2.7Å |
| 201 | I | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.1 | 174.4 | -59.3 | -179.1 | 0 | 0 | 0 | 108.5 | F67 F83 P84 L111 F125 I127 S203 V206 I208 | F67-I201 HydrophobicContact CE1-CD1 3.86Å; F67-I201 HydrophobicContact CE1-CG1 3.97Å; F67-I201 HydrophobicContact CE2-CD1 3.75Å; F67-I201 HydrophobicContact CZ-CD1 3.4Å; F67-I201 VanDerWaalsContact CZ-CD1 3.4Å; F67-I201 HydrophobicContact CZ-CG1 3.95Å; F83-I201 WeakPolarHBondContact CB-O 3.42Å; P84-I201 WeakPolarHBondContact CD-O 3.44Å; P84-I201 PolarHBondContact O-N 3.03Å; L111-I201 HydrophobicContact CD1-CD1 4.36Å; L111-I201 HydrophobicContact CD2-CD1 4.23Å; F125-I201 HydrophobicContact CD2-CG2 3.78Å; F125-I201 HydrophobicContact CE2-CG2 4.1Å; I127-I201 HydrophobicContact CG1-CG1 4.48Å; I127-I201 HydrophobicContact CG2-CG1 4.49Å; I201-S203 PolarHBondContact O-N 3.4Å; I201-V206 HydrophobicContact CG2-CG1 3.99Å; I201-I208 HydrophobicContact CD1-CD1 3.3Å |
| 202 | H | 94.6 | Very high | 93.7 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -78.2 | 59.7 | -178.2 | -64.9 | -60.2 | 0 | 0 | 0 | 112.1 | F83 M126 K128 E200 | F83-H202 AromaticContact CD2-ND1 3.86Å; F83-H202 AromaticContact CE2-ND1 4Å; M126-H202 HydrophobicContact CB-CB 4.32Å; M126-H202 PolarHBondContact O-N 3.4Å; K128-H202 WeakPolarHBondContact CD-NE2 3.23Å; E200-H202 IonicContact OE1-CE1 3.66Å; E200-H202 PolarHBondContact OE1-CE1 3.08Å; E200-H202 IonicContact OE1-ND1 3.69Å; E200-H202 PolarHBondContact OE1-ND1 2.8Å; E200-H202 IonicContact OE2-CE1 3.36Å; E200-H202 PolarHBondContact OE2-CE1 3.11Å; E200-H202 IonicContact OE2-NE2 2.7Å |
| 203 | S | 93 | Very high | 94 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | trans | -151.7 | 137.2 | 167.5 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | P84 L122 I201 Q205 V206 | P84-S203 WeakPolarHBondContact CD-O 3.46Å; L122-S203 WeakPolarHBondContact CD1-OG 3.36Å; I201-S203 PolarHBondContact O-N 3.4Å; S203-Q205 PolarHBondContact OG-N 3.32Å; S203-V206 PolarHBondContact OG-N 3.4Å | ||
| 204 | R | 90.6 | Very high | 94.4 | Very high | 132 Ų | 132 | 44.3 Ų | 44.3 | 50% | 0.498 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -94.1 | -5.7 | 175.6 | -71.3 | 174.1 | 169.9 | 142.5 | -0 | 114 | L80 C81 F83 | L80-R204 HydrophobicContact CB-CB 4.44Å; L80-R204 PolarHBondContact N-O 2.81Å; L80-R204 WeakPolarHBondContact O-CB 3.26Å; L80-R204 VanDerWaalsContact O-CD 3.25Å; L80-R204 WeakPolarHBondContact O-CD 3.26Å; L80-R204 WeakPolarHBondContact O-CG 3.41Å; C81-R204 PolarHBondContact O-NE 3.04Å; C81-R204 PolarHBondContact O-NH2 3.4Å; F83-R204 HydrophobicContact CD1-CG 4.13Å; F83-R204 HydrophobicContact CE1-CG 4.13Å |
| 205 | Q | 90.5 | Very high | 94.5 | Very high | 119 Ų | 119 | 44.1 Ų | 44.1 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -116 | -3.8 | -175.3 | -67.9 | 177.5 | -11.6 | 0 | 0 | 112.4 | V118 L122 S203 | V118-Q205 HydrophobicContact CG1-CB 4.19Å; V118-Q205 VanDerWaalsContact CG1-O 3.24Å; V118-Q205 WeakPolarHBondContact CG1-O 3.37Å; L122-Q205 HydrophobicContact CD1-CB 4.34Å; S203-Q205 PolarHBondContact OG-N 3.32Å |
| 206 | V | 93 | Very high | 94.5 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | trans | -65.2 | 133.3 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 111 | P84 M113 L122 F125 I201 S203 I208 | P84-V206 HydrophobicContact CG-CG1 4.19Å; M113-V206 HydrophobicContact CE-CG2 3.51Å; M113-V206 HydrophobicContact SD-CG2 4.45Å; L122-V206 HydrophobicContact CD2-CB 3.76Å; L122-V206 HydrophobicContact CD2-CG2 3.83Å; F125-V206 HydrophobicContact CZ-CG2 4.39Å; I201-V206 HydrophobicContact CG2-CG1 3.99Å; S203-V206 PolarHBondContact OG-N 3.4Å; V206-I208 HydrophobicContact CG1-CD1 4.13Å; V206-I208 HydrophobicContact CG1-CG1 4.4Å; V206-I208 HydrophobicContact CG2-CD1 3.93Å; V206-I208 HydrophobicContact CG2-CG1 3.8Å | ||
| 207 | Q | 93.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 47 Ų | 47 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | trans | -112.6 | 123 | 176.8 | -62.1 | 175.9 | -15.8 | 0 | 0 | 108.6 | P114 S116 N119 | P114-Q207 HydrophobicContact CG-CB 4.31Å; S116-Q207 VanDerWaalsContact CB-OE1 3.3Å; S116-Q207 PolarHBondContact OG-OE1 2.91Å; N119-Q207 PolarHBondContact ND2-O 3.38Å; N119-Q207 PolarHBondContact OD1-N 2.83Å; N119-Q207 PolarHBondContact OD1-O 3.42Å | ||
| 208 | I | 94.7 | Very high | 93.6 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 23% | 0.226 | 24% | 0.244 | C | C | . | . | trans | -136.7 | 133.8 | -172.6 | -49 | 178.4 | 0 | 0 | 0 | 107.4 | F67 L111 E112 M113 I201 V206 S210 | F67-I208 HydrophobicContact CE2-CD1 4.4Å; L111-I208 HydrophobicContact CD2-CD1 4.47Å; E112-I208 WeakPolarHBondContact O-CG2 3.2Å; M113-I208 HydrophobicContact CG-CB 4.45Å; M113-I208 HydrophobicContact CG-CG1 4.14Å; M113-I208 HydrophobicContact CG-CG2 4.27Å; M113-I208 HydrophobicContact SD-CG1 4.41Å; I201-I208 HydrophobicContact CD1-CD1 3.3Å; V206-I208 HydrophobicContact CG1-CD1 4.13Å; V206-I208 HydrophobicContact CG1-CG1 4.4Å; V206-I208 HydrophobicContact CG2-CD1 3.93Å; V206-I208 HydrophobicContact CG2-CG1 3.8Å; I208-S210 VanDerWaalsContact CG2-O 3.29Å; I208-S210 WeakPolarHBondContact CG2-O 3.46Å | ||
| 209 | Y | 94.8 | Very high | 92.9 | Very high | 155 Ų | 155 | 51.9 Ų | 51.9 | 61% | 0.608 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -85 | -50.9 | 175.5 | -68.2 | -46.4 | 0 | 0 | 0 | 111.6 | E112 P114 K175 | E112-Y209 HydrophobicContact CG-CD2 4.42Å; E112-Y209 PolarHBondContact O-N 3.29Å; P114-Y209 HydrophobicContact CB-CE2 3.65Å; P114-Y209 HydrophobicContact CG-CE1 4.35Å; P114-Y209 HydrophobicContact CG-CE2 3.96Å; K175-Y209 HydrophobicContact CB-CE2 4.39Å |
| 210 | S | 95.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.6 | 178.6 | 87.7 | 0 | 0 | 0 | 0 | 110.8 | E112 I208 | E112-S210 WeakPolarHBondContact CB-OG 3.44Å; E112-S210 PolarHBondContact N-O 2.81Å; E112-S210 WeakPolarHBondContact OE2-CB 3.4Å; E112-S210 PolarHBondContact OE2-OG 3.48Å; I208-S210 VanDerWaalsContact CG2-O 3.29Å; I208-S210 WeakPolarHBondContact CG2-O 3.46Å |
| 211 | A | 96.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | V65 F67 V110 L111 | V65-A211 HydrophobicContact CB-CB 3.88Å; V65-A211 HydrophobicContact CG1-CB 4.4Å; V65-A211 PolarHBondContact N-O 3.43Å; F67-A211 HydrophobicContact CD2-CB 4.38Å; F67-A211 HydrophobicContact CE2-CB 3.56Å; F67-A211 HydrophobicContact CZ-CB 4.31Å; V110-A211 CarbonylContact O-C 3.55Å; V110-A211 VanDerWaalsContact O-CA 3.28Å; V110-A211 WeakPolarHBondContact O-CA 3.25Å; L111-A211 HydrophobicContact CD2-CB 3.64Å |
| 212 | Q | 96.8 | Very high | 91.1 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 34% | 0.341 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.1 | 177.8 | -61.8 | 178.9 | 4.9 | 0 | 0 | 108.8 | T63 V110 | T63-Q212 CarbonylContact O-C 3.57Å; T63-Q212 VanDerWaalsContact O-CA 3.32Å; T63-Q212 WeakPolarHBondContact O-CA 3.49Å; V110-Q212 PolarHBondContact N-O 3.34Å; V110-Q212 PolarHBondContact O-N 2.83Å |
| 213 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.6 | 167.5 | -167.4 | 80.8 | 0 | 0 | 0 | 108.6 | S62 T63 V65 I88 F90 V107 S108 I109 M129 L182 I199 I215 | S62-L213 VanDerWaalsContact CA-O 3.3Å; S62-L213 WeakPolarHBondContact CA-O 3.47Å; T63-L213 PolarHBondContact N-O 3.37Å; T63-L213 PolarHBondContact O-N 3.33Å; V65-L213 HydrophobicContact CG2-CB 3.85Å; I88-L213 HydrophobicContact CD1-CB 4.19Å; I88-L213 HydrophobicContact CD1-CD2 3.54Å; I88-L213 HydrophobicContact CD1-CG 4.38Å; F90-L213 HydrophobicContact CE1-CD2 3.64Å; F90-L213 HydrophobicContact CZ-CD2 4.04Å; V107-L213 HydrophobicContact CG1-CD1 3.77Å; V107-L213 HydrophobicContact CG1-CD2 3.97Å; V107-L213 HydrophobicContact CG1-CG 4.05Å; S108-L213 WeakPolarHBondContact O-CD1 3.42Å; I109-L213 HydrophobicContact CB-CD1 4.05Å; M129-L213 HydrophobicContact SD-CD1 4.17Å; M129-L213 HydrophobicContact SD-CD2 4.48Å; L182-L213 HydrophobicContact CD1-CD1 4.1Å; I199-L213 HydrophobicContact CD1-CD1 4.15Å; L213-I215 HydrophobicContact CD2-CD1 4.11Å; L213-I215 HydrophobicContact CD2-CG1 4.06Å; L213-I215 HydrophobicContact CG-CG1 4.49Å |
| 214 | R | 95.2 | Very high | 90.5 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.3 | 175.3 | -64.9 | -176.9 | 179 | 168.7 | 1.2 | 109.8 | V107 S108 V110 | V107-R214 WeakPolarHBondContact CA-O 3.18Å; S108-R214 PolarHBondContact N-O 3.49Å; S108-R214 PolarHBondContact O-N 2.91Å; S108-R214 VanDerWaalsContact O-O 3.13Å; V110-R214 HydrophobicContact CG2-CG 4.42Å |
| 215 | I | 93.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 113.6 | 177.1 | -55.8 | 178.5 | 0 | 0 | 0 | 106.6 | S60 F61 F90 V98 M99 Y105 V107 L213 | S60-I215 CarbonylContact C-O 3.6Å; S60-I215 VanDerWaalsContact CA-O 3.27Å; S60-I215 WeakPolarHBondContact CA-O 3.38Å; F61-I215 HydrophobicContact CB-CB 4.43Å; F61-I215 HydrophobicContact CD1-CD1 4.25Å; F61-I215 PolarHBondContact N-O 3.48Å; F61-I215 PolarHBondContact O-N 2.94Å; F90-I215 HydrophobicContact CD1-CD1 3.87Å; F90-I215 HydrophobicContact CE1-CD1 3.79Å; F90-I215 HydrophobicContact CZ-CD1 4.46Å; V98-I215 HydrophobicContact CG1-CD1 4.4Å; M99-I215 HydrophobicContact CG-CG2 4.08Å; M99-I215 HydrophobicContact SD-CD1 4.38Å; M99-I215 HydrophobicContact SD-CG2 4.22Å; Y105-I215 HydrophobicContact CD1-CG2 3.63Å; Y105-I215 HydrophobicContact CE1-CG2 4.4Å; Y105-I215 HydrophobicContact CG-CG2 4.02Å; V107-I215 HydrophobicContact CG1-CG1 4.34Å; V107-I215 HydrophobicContact CG2-CG1 4.38Å; V107-I215 HydrophobicContact CG2-CG2 4.42Å; L213-I215 HydrophobicContact CD2-CD1 4.11Å; L213-I215 HydrophobicContact CD2-CG1 4.06Å; L213-I215 HydrophobicContact CG-CG1 4.49Å |
| 216 | H | 91.6 | Very high | 90.3 | Very high | 70 Ų | 70 | 59.8 Ų | 59.8 | 32% | 0.324 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.1 | -178.3 | -69.1 | -76.8 | 0 | 0 | 0 | 110 | Y105 R106 Y218 | Y105-H216 CarbonylContact C-O 3.5Å; Y105-H216 WeakPolarHBondContact CA-O 3.22Å; R106-H216 PolarHBondContact N-O 3.34Å; R106-H216 PolarHBondContact O-N 3.29Å; H216-Y218 PolarHBondContact O-N 2.92Å |
| 217 | A | 88.7 | Confident | 90 | Very high | 14 Ų | 14 | 65 Ų | 65 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V59 Y105 F219 | V59-A217 PolarHBondContact O-N 3.43Å; V59-A217 VanDerWaalsContact O-N 3.12Å; Y105-A217 HydrophobicContact CD1-CB 3.9Å; Y105-A217 HydrophobicContact CE1-CB 3.65Å; A217-F219 HydrophobicContact CB-CD1 4.37Å; A217-F219 HydrophobicContact CB-CD2 4.41Å; A217-F219 HydrophobicContact CB-CE1 3.75Å; A217-F219 HydrophobicContact CB-CE2 3.77Å; A217-F219 HydrophobicContact CB-CZ 3.43Å; A217-F219 VanDerWaalsContact CB-CZ 3.43Å; A217-F219 PolarHBondContact O-N 3.11Å |
| 218 | Y | 81.6 | Confident | 89.8 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 54% | 0.541 | 32% | 0.317 | S | S | . | . | trans | -88 | 102 | 172.6 | -166.5 | -101.3 | 0 | 0 | 0 | 110 | Q103 P104 H216 T220 | Q103-Y218 PolarHBondContact NE2-O 3.16Å; P104-Y218 PolarHBondContact O-N 3.15Å; H216-Y218 PolarHBondContact O-N 2.92Å; Y218-T220 HydrophobicContact CD1-CG2 3.9Å; Y218-T220 HydrophobicContact CE1-CG2 3.68Å | ||
| 219 | F | 80.5 | Confident | 89.6 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | trans | -88 | 133.7 | -178.2 | -61.9 | -62 | 0 | 0 | 0 | 112.3 | M56 P57 V59 A217 R223 Y227 | M56-F219 HydrophobicContact SD-CD1 4.43Å; M56-F219 HydrophobicContact SD-CE1 3.91Å; M56-F219 HydrophobicContact SD-CZ 4.11Å; P57-F219 HydrophobicContact CG-CE1 3.9Å; V59-F219 HydrophobicContact CB-CZ 4.42Å; V59-F219 HydrophobicContact CG1-CE2 3.59Å; V59-F219 HydrophobicContact CG1-CZ 3.92Å; A217-F219 HydrophobicContact CB-CD1 4.37Å; A217-F219 HydrophobicContact CB-CD2 4.41Å; A217-F219 HydrophobicContact CB-CE1 3.75Å; A217-F219 HydrophobicContact CB-CE2 3.77Å; A217-F219 HydrophobicContact CB-CZ 3.43Å; A217-F219 VanDerWaalsContact CB-CZ 3.43Å; A217-F219 PolarHBondContact O-N 3.11Å; F219-R223 HydrophobicContact CB-CB 3.95Å; F219-R223 HydrophobicContact CD1-CB 3.62Å; F219-R223 HydrophobicContact CD1-CG 4.31Å; F219-R223 HydrophobicContact CE1-CB 4.46Å; F219-R223 HydrophobicContact CG-CB 4.09Å; F219-Y227 AromaticContact CD2-CD1 3.84Å; F219-Y227 HydrophobicContact CD2-CD1 3.84Å; F219-Y227 HydrophobicContact CD2-CD2 4.33Å; F219-Y227 HydrophobicContact CD2-CE1 4.49Å; F219-Y227 AromaticContact CD2-CG 3.73Å; F219-Y227 HydrophobicContact CD2-CG 3.73Å; F219-Y227 HydrophobicContact CE2-CD1 4.31Å; F219-Y227 HydrophobicContact CE2-CD2 4.06Å; F219-Y227 AromaticContact CE2-CG 3.93Å; F219-Y227 HydrophobicContact CE2-CG 3.93Å | ||
| 220 | T | 80.4 | Confident | 89.4 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 56% | 0.564 | 32% | 0.319 | S | S | * | . | trans | -126.3 | 161 | 172.7 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | Y218 I222 R223 | Y218-T220 HydrophobicContact CD1-CG2 3.9Å; Y218-T220 HydrophobicContact CE1-CG2 3.68Å; T220-I222 PolarHBondContact O-N 2.94Å; T220-R223 PolarHBondContact O-N 3.36Å | ||
| 221 | G | 85.6 | Confident | 89.2 | Confident | 63 Ų | 63 | 68 Ų | 68 | 65% | 0.649 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -133.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R223 Y224 L225 | G221-R223 VanDerWaalsContact C-N 3.28Å; G221-R223 PolarHBondContact O-N 2.93Å; G221-Y224 WeakPolarHBondContact O-CB 3.34Å; G221-Y224 PolarHBondContact O-N 2.93Å; G221-Y224 VanDerWaalsContact O-N 3.1Å; G221-L225 PolarHBondContact O-N 2.86Å |
| 222 | I | 85.5 | Confident | 89 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | -177.2 | -62.1 | 173 | 0 | 0 | 0 | 111.6 | Y55 T220 Y224 L225 L226 | Y55-I222 HydrophobicContact CE1-CB 4.24Å; Y55-I222 HydrophobicContact CE1-CG2 4Å; T220-I222 PolarHBondContact O-N 2.94Å; I222-Y224 VanDerWaalsContact C-N 3.31Å; I222-Y224 PolarHBondContact O-N 3.44Å; I222-L225 PolarHBondContact O-N 3.27Å; I222-L226 HydrophobicContact CG2-CD1 3.9Å; I222-L226 WeakPolarHBondContact O-CD1 3.31Å; I222-L226 PolarHBondContact O-N 2.91Å; I222-L226 VanDerWaalsContact O-N 3.09Å |
| 223 | R | 87.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 23% | 0.234 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 177 | -67.9 | -173.6 | 169.4 | 152.8 | 2.3 | 111.9 | Y55 M56 F219 T220 G221 L225 L226 Y227 | Y55-R223 HydrophobicContact CD1-CG 4.02Å; Y55-R223 HydrophobicContact CE1-CB 4.47Å; Y55-R223 HydrophobicContact CE1-CG 3.33Å; Y55-R223 PolarHBondContact O-NE 3.38Å; Y55-R223 PolarHBondContact O-NH2 2.77Å; M56-R223 HydrophobicContact CE-CB 4.21Å; M56-R223 WeakPolarHBondContact CE-O 3.47Å; M56-R223 HydrophobicContact SD-CB 4.38Å; M56-R223 HydrophobicContact SD-CG 4.38Å; F219-R223 HydrophobicContact CB-CB 3.95Å; F219-R223 HydrophobicContact CD1-CB 3.62Å; F219-R223 HydrophobicContact CD1-CG 4.31Å; F219-R223 HydrophobicContact CE1-CB 4.46Å; F219-R223 HydrophobicContact CG-CB 4.09Å; T220-R223 PolarHBondContact O-N 3.36Å; G221-R223 VanDerWaalsContact C-N 3.28Å; G221-R223 PolarHBondContact O-N 2.93Å; R223-L225 PolarHBondContact O-N 3.45Å; R223-L226 PolarHBondContact O-N 3.46Å; R223-Y227 WeakPolarHBondContact O-CB 3.47Å; R223-Y227 PolarHBondContact O-N 2.87Å |
| 224 | Y | 87.9 | Confident | 88.7 | Confident | 125 Ų | 125 | 69.4 Ų | 69.4 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 177.4 | 177.1 | -95.3 | 0 | 0 | 0 | 111.6 | G221 I222 Y227 N228 | G221-Y224 WeakPolarHBondContact O-CB 3.34Å; G221-Y224 PolarHBondContact O-N 2.93Å; G221-Y224 VanDerWaalsContact O-N 3.1Å; I222-Y224 VanDerWaalsContact C-N 3.31Å; I222-Y224 PolarHBondContact O-N 3.44Å; Y224-Y227 PolarHBondContact O-N 3.36Å; Y224-N228 WeakPolarHBondContact O-CB 3.33Å; Y224-N228 PolarHBondContact O-N 2.95Å |
| 225 | L | 88.6 | Confident | 88.7 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 44% | 0.44 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.9 | -173.6 | 72.8 | 0 | 0 | 0 | 111.9 | G221 I222 R223 Y227 F229 | G221-L225 PolarHBondContact O-N 2.86Å; I222-L225 PolarHBondContact O-N 3.27Å; R223-L225 PolarHBondContact O-N 3.45Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-Y227 PolarHBondContact O-N 2.91Å; L225-F229 HydrophobicContact CD1-CD2 4.06Å; L225-F229 PolarHBondContact O-N 3.41Å |
| 226 | L | 88.1 | Confident | 88.7 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 178.9 | -94.8 | 63.5 | 0 | 0 | 0 | 112.8 | F51 Y52 M56 I222 R223 | F51-L226 HydrophobicContact CE1-CD2 4.1Å; Y52-L226 HydrophobicContact CD2-CD2 3.84Å; Y52-L226 HydrophobicContact CD2-CG 4.28Å; Y52-L226 HydrophobicContact CE2-CB 4.37Å; Y52-L226 HydrophobicContact CE2-CD2 4.31Å; Y52-L226 HydrophobicContact CE2-CG 4.43Å; M56-L226 HydrophobicContact CE-CB 3.46Å; M56-L226 VanDerWaalsContact CE-CB 3.46Å; I222-L226 HydrophobicContact CG2-CD1 3.9Å; I222-L226 WeakPolarHBondContact O-CD1 3.31Å; I222-L226 PolarHBondContact O-N 2.91Å; I222-L226 VanDerWaalsContact O-N 3.09Å; R223-L226 PolarHBondContact O-N 3.46Å |
| 227 | Y | 87.1 | Confident | 88.9 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.3 | -46.9 | 177.8 | 176 | -118.3 | 0 | 0 | 0 | 112.1 | V59 F219 R223 Y224 L225 | V59-Y227 HydrophobicContact CG1-CD2 3.5Å; V59-Y227 HydrophobicContact CG1-CE2 3.29Å; F219-Y227 AromaticContact CD2-CD1 3.84Å; F219-Y227 HydrophobicContact CD2-CD1 3.84Å; F219-Y227 HydrophobicContact CD2-CD2 4.33Å; F219-Y227 HydrophobicContact CD2-CE1 4.49Å; F219-Y227 AromaticContact CD2-CG 3.73Å; F219-Y227 HydrophobicContact CD2-CG 3.73Å; F219-Y227 HydrophobicContact CE2-CD1 4.31Å; F219-Y227 HydrophobicContact CE2-CD2 4.06Å; F219-Y227 AromaticContact CE2-CG 3.93Å; F219-Y227 HydrophobicContact CE2-CG 3.93Å; R223-Y227 WeakPolarHBondContact O-CB 3.47Å; R223-Y227 PolarHBondContact O-N 2.87Å; Y224-Y227 PolarHBondContact O-N 3.36Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-Y227 PolarHBondContact O-N 2.91Å |
| 228 | N | 89.1 | Confident | 89.2 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -80.7 | -28.1 | -174 | -162.5 | 84.4 | 0 | 0 | 0 | 113.1 | Y224 | Y224-N228 WeakPolarHBondContact O-CB 3.33Å; Y224-N228 PolarHBondContact O-N 2.95Å |
| 229 | F | 91.7 | Very high | 89.9 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | trans | -133.2 | 61.3 | -177.6 | -55.1 | -80.6 | 0 | 0 | 0 | 112.9 | L225 L231 T232 S233 | L225-F229 HydrophobicContact CD1-CD2 4.06Å; L225-F229 PolarHBondContact O-N 3.41Å; F229-L231 PolarHBondContact O-N 3.46Å; F229-L231 VanDerWaalsContact O-N 3.14Å; F229-T232 VanDerWaalsContact CB-OG1 3.26Å; F229-T232 WeakPolarHBondContact CB-OG1 3.45Å; F229-T232 PolarHBondContact O-N 3.33Å; F229-T232 PolarHBondContact O-OG1 2.95Å; F229-S233 PolarHBondContact O-N 3.42Å; F229-S233 PolarHBondContact O-OG 2.96Å | ||
| 230 | P | 90.1 | Very high | 90.6 | Very high | 69 Ų | 69 | 72.4 Ų | 72.4 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | -172.8 | 24 | -35.1 | 0 | 0 | 0 | 113.8 | S233 A234 | P230-S233 PolarHBondContact O-OG 2.79Å; P230-A234 WeakPolarHBondContact O-CB 3.23Å; P230-A234 PolarHBondContact O-N 2.89Å; P230-A234 VanDerWaalsContact O-N 3.14Å |
| 231 | L | 91.4 | Very high | 91.3 | Very high | 136 Ų | 136 | 69.7 Ų | 69.7 | 71% | 0.712 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.8 | -45.6 | 178.4 | -176 | 65 | 0 | 0 | 0 | 112.2 | F229 A234 V235 | F229-L231 PolarHBondContact O-N 3.46Å; F229-L231 VanDerWaalsContact O-N 3.14Å; L231-A234 PolarHBondContact O-N 2.86Å; L231-V235 WeakPolarHBondContact O-CG2 3.43Å; L231-V235 PolarHBondContact O-N 3.48Å |
| 232 | T | 92.8 | Very high | 91.8 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.6 | -37.3 | -178.3 | 67 | 0 | 0 | 0 | 0 | 110.9 | F229 A234 V235 I236 | F229-T232 VanDerWaalsContact CB-OG1 3.26Å; F229-T232 WeakPolarHBondContact CB-OG1 3.45Å; F229-T232 PolarHBondContact O-N 3.33Å; F229-T232 PolarHBondContact O-OG1 2.95Å; T232-A234 VanDerWaalsContact C-N 3.32Å; T232-A234 PolarHBondContact O-N 2.91Å; T232-V235 PolarHBondContact O-N 3.4Å; T232-I236 WeakPolarHBondContact O-CB 3.25Å; T232-I236 VanDerWaalsContact O-CG1 3.25Å; T232-I236 WeakPolarHBondContact O-CG1 3.38Å; T232-I236 PolarHBondContact O-N 2.98Å |
| 233 | S | 92 | Very high | 92.3 | Very high | 8 Ų | 8 | 67.2 Ų | 67.2 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 173.7 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | Y48 F229 P230 G237 | Y48-S233 PolarHBondContact OH-OG 2.98Å; F229-S233 PolarHBondContact O-N 3.42Å; F229-S233 PolarHBondContact O-OG 2.96Å; P230-S233 PolarHBondContact O-OG 2.79Å; S233-G237 PolarHBondContact O-N 3.14Å |
| 234 | A | 93.4 | Very high | 92.7 | Very high | 28 Ų | 28 | 70.8 Ų | 70.8 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y48 P230 L231 T232 I236 G237 V238 | Y48-A234 HydrophobicContact CD1-CB 4.39Å; Y48-A234 HydrophobicContact CE1-CB 3.66Å; Y48-A234 VanDerWaalsContact CZ-CA 3.45Å; Y48-A234 PolarHBondContact OH-N 2.8Å; P230-A234 WeakPolarHBondContact O-CB 3.23Å; P230-A234 PolarHBondContact O-N 2.89Å; P230-A234 VanDerWaalsContact O-N 3.14Å; L231-A234 PolarHBondContact O-N 2.86Å; T232-A234 VanDerWaalsContact C-N 3.32Å; T232-A234 PolarHBondContact O-N 2.91Å; A234-I236 PolarHBondContact O-N 3.15Å; A234-G237 PolarHBondContact O-N 3.36Å; A234-V238 VanDerWaalsContact O-CB 3.32Å; A234-V238 WeakPolarHBondContact O-CB 3.28Å; A234-V238 VanDerWaalsContact O-CG2 3.27Å; A234-V238 WeakPolarHBondContact O-CG2 3.35Å; A234-V238 PolarHBondContact O-N 3.44Å |
| 235 | V | 94.9 | Very high | 93 | Very high | 96 Ų | 96 | 66.6 Ų | 66.6 | 58% | 0.582 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111 | L231 T232 A239 | L231-V235 WeakPolarHBondContact O-CG2 3.43Å; L231-V235 PolarHBondContact O-N 3.48Å; T232-V235 PolarHBondContact O-N 3.4Å; V235-A239 WeakPolarHBondContact O-CB 3.5Å; V235-A239 PolarHBondContact O-N 3.42Å |
| 236 | I | 95 | Very high | 93.2 | Very high | 102 Ų | 102 | 64.4 Ų | 64.4 | 52% | 0.523 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 178.9 | -66.7 | 166.5 | 0 | 0 | 0 | 110.6 | T232 A234 V238 A239 T240 | T232-I236 WeakPolarHBondContact O-CB 3.25Å; T232-I236 VanDerWaalsContact O-CG1 3.25Å; T232-I236 WeakPolarHBondContact O-CG1 3.38Å; T232-I236 PolarHBondContact O-N 2.98Å; A234-I236 PolarHBondContact O-N 3.15Å; I236-V238 PolarHBondContact O-N 3.12Å; I236-A239 PolarHBondContact O-N 3.35Å; I236-T240 PolarHBondContact O-N 2.99Å; I236-T240 PolarHBondContact O-OG1 3.08Å |
| 237 | G | 94.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S233 A234 T240 N241 | S233-G237 PolarHBondContact O-N 3.14Å; A234-G237 PolarHBondContact O-N 3.36Å; G237-T240 WeakPolarHBondContact CA-OG1 3.24Å; G237-T240 PolarHBondContact O-OG1 2.97Å; G237-N241 VanDerWaalsContact O-CB 3.31Å; G237-N241 WeakPolarHBondContact O-CB 3.4Å; G237-N241 PolarHBondContact O-N 2.93Å; G237-N241 PolarHBondContact O-ND2 2.86Å |
| 238 | V | 96.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 66 Ų | 66 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.2 | -36.8 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | S44 I45 Y48 A234 I236 F242 | S44-V238 PolarHBondContact OG-O 3.35Å; I45-V238 HydrophobicContact CG1-CG1 3.86Å; I45-V238 HydrophobicContact CG1-CG2 4.07Å; Y48-V238 HydrophobicContact CD1-CG2 4.36Å; Y48-V238 HydrophobicContact CG-CG2 4.15Å; A234-V238 VanDerWaalsContact O-CB 3.32Å; A234-V238 WeakPolarHBondContact O-CB 3.28Å; A234-V238 VanDerWaalsContact O-CG2 3.27Å; A234-V238 WeakPolarHBondContact O-CG2 3.35Å; A234-V238 PolarHBondContact O-N 3.44Å; I236-V238 PolarHBondContact O-N 3.12Å; V238-F242 WeakPolarHBondContact O-CB 3.33Å; V238-F242 PolarHBondContact O-N 3.23Å |
| 239 | A | 95.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V235 I236 F242 A243 | V235-A239 WeakPolarHBondContact O-CB 3.5Å; V235-A239 PolarHBondContact O-N 3.42Å; I236-A239 PolarHBondContact O-N 3.35Å; A239-F242 PolarHBondContact O-N 2.92Å; A239-A243 VanDerWaalsContact O-CB 3.3Å; A239-A243 WeakPolarHBondContact O-CB 3.31Å; A239-A243 PolarHBondContact O-N 3.45Å |
| 240 | T | 95.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 177.3 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | I236 G237 A243 F244 | I236-T240 PolarHBondContact O-N 2.99Å; I236-T240 PolarHBondContact O-OG1 3.08Å; G237-T240 WeakPolarHBondContact CA-OG1 3.24Å; G237-T240 PolarHBondContact O-OG1 2.97Å; T240-A243 PolarHBondContact O-N 3.05Å; T240-F244 WeakPolarHBondContact O-CB 3.48Å; T240-F244 PolarHBondContact O-N 2.92Å |
| 241 | N | 95.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.193 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.2 | -75.2 | -7.6 | 0 | 0 | 0 | 111.3 | S44 L47 G237 F244 L245 | S44-N241 WeakPolarHBondContact OG-CB 3.46Å; L47-N241 HydrophobicContact CD2-CB 4.44Å; G237-N241 VanDerWaalsContact O-CB 3.31Å; G237-N241 WeakPolarHBondContact O-CB 3.4Å; G237-N241 PolarHBondContact O-N 2.93Å; G237-N241 PolarHBondContact O-ND2 2.86Å; N241-F244 PolarHBondContact O-N 3.32Å; N241-L245 WeakPolarHBondContact O-CB 3.29Å; N241-L245 VanDerWaalsContact O-CG 3.25Å; N241-L245 WeakPolarHBondContact O-CG 3.46Å; N241-L245 PolarHBondContact O-N 2.83Å |
| 242 | F | 96.5 | Very high | 93.7 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 177.3 | 179.2 | -96.8 | 0 | 0 | 0 | 112.1 | L37 L40 L41 S44 V238 A239 S246 | L37-F242 HydrophobicContact CD2-CE2 4.44Å; L37-F242 HydrophobicContact CD2-CZ 3.86Å; L40-F242 HydrophobicContact CB-CD2 4.1Å; L40-F242 HydrophobicContact CB-CE2 3.91Å; L41-F242 HydrophobicContact CB-CD2 4.21Å; L41-F242 HydrophobicContact CB-CE2 4.22Å; S44-F242 PolarHBondContact OG-N 2.9Å; V238-F242 WeakPolarHBondContact O-CB 3.33Å; V238-F242 PolarHBondContact O-N 3.23Å; A239-F242 PolarHBondContact O-N 2.92Å; F242-S246 VanDerWaalsContact O-CB 3.23Å; F242-S246 WeakPolarHBondContact O-CB 3.23Å; F242-S246 PolarHBondContact O-N 3.11Å; F242-S246 PolarHBondContact O-OG 2.85Å |
| 243 | A | 95.4 | Very high | 93.4 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A239 T240 S246 V247 | A239-A243 VanDerWaalsContact O-CB 3.3Å; A239-A243 WeakPolarHBondContact O-CB 3.31Å; A239-A243 PolarHBondContact O-N 3.45Å; T240-A243 PolarHBondContact O-N 3.05Å; A243-S246 WeakPolarHBondContact CA-OG 3.44Å; A243-S246 PolarHBondContact O-N 2.99Å; A243-S246 PolarHBondContact O-OG 2.88Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 3.46Å |
| 244 | F | 95.5 | Very high | 93.3 | Very high | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.601 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 178.1 | -177.6 | -107.1 | 0 | 0 | 0 | 112.6 | T240 N241 S246 V247 I248 | T240-F244 WeakPolarHBondContact O-CB 3.48Å; T240-F244 PolarHBondContact O-N 2.92Å; N241-F244 PolarHBondContact O-N 3.32Å; F244-S246 PolarHBondContact O-N 3.44Å; F244-V247 PolarHBondContact O-N 2.93Å; F244-I248 HydrophobicContact CD1-CD1 3.92Å; F244-I248 HydrophobicContact CE1-CD1 3.47Å; F244-I248 VanDerWaalsContact CE1-CD1 3.47Å; F244-I248 HydrophobicContact CE2-CD1 4.34Å; F244-I248 HydrophobicContact CZ-CD1 3.71Å; F244-I248 WeakPolarHBondContact O-CG1 3.12Å; F244-I248 PolarHBondContact O-N 2.97Å; F244-I248 VanDerWaalsContact O-N 3.12Å |
| 245 | L | 94.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 73.7 Ų | 73.7 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 177.9 | -65.9 | 171 | 0 | 0 | 0 | 112.3 | L40 V43 N241 I248 A249 | L40-L245 HydrophobicContact CD2-CB 3.74Å; V43-L245 HydrophobicContact CB-CD1 4.33Å; V43-L245 HydrophobicContact CG1-CD1 3.83Å; N241-L245 WeakPolarHBondContact O-CB 3.29Å; N241-L245 VanDerWaalsContact O-CG 3.25Å; N241-L245 WeakPolarHBondContact O-CG 3.46Å; N241-L245 PolarHBondContact O-N 2.83Å; L245-I248 PolarHBondContact O-N 2.94Å; L245-A249 WeakPolarHBondContact O-CB 3.35Å; L245-A249 PolarHBondContact O-N 3.34Å |
| 246 | S | 93.2 | Very high | 92.3 | Very high | 38 Ų | 38 | 76.5 Ų | 76.5 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 176.8 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | F242 A243 F244 A249 L250 | F242-S246 VanDerWaalsContact O-CB 3.23Å; F242-S246 WeakPolarHBondContact O-CB 3.23Å; F242-S246 PolarHBondContact O-N 3.11Å; F242-S246 PolarHBondContact O-OG 2.85Å; A243-S246 WeakPolarHBondContact CA-OG 3.44Å; A243-S246 PolarHBondContact O-N 2.99Å; A243-S246 PolarHBondContact O-OG 2.88Å; F244-S246 PolarHBondContact O-N 3.44Å; S246-A249 PolarHBondContact O-N 2.91Å; S246-L250 VanDerWaalsContact O-CB 3.28Å; S246-L250 WeakPolarHBondContact O-CB 3.37Å; S246-L250 PolarHBondContact O-N 3.34Å |
| 247 | V | 94.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 76.1 Ų | 76.1 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 170.9 | 169 | 0 | 0 | 0 | 0 | 111.1 | A243 F244 L250 F251 | A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 3.46Å; F244-V247 PolarHBondContact O-N 2.93Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-F251 HydrophobicContact CG1-CD2 3.7Å; V247-F251 HydrophobicContact CG1-CE2 3.61Å; V247-F251 VanDerWaalsContact O-CD2 3.26Å; V247-F251 WeakPolarHBondContact O-CD2 3.45Å; V247-F251 PolarHBondContact O-N 3.29Å |
| 248 | I | 92.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 85 Ų | 85 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.3 | -67.2 | 168.8 | 0 | 0 | 0 | 110.9 | F244 L245 L250 F251 G252 | F244-I248 HydrophobicContact CD1-CD1 3.92Å; F244-I248 HydrophobicContact CE1-CD1 3.47Å; F244-I248 VanDerWaalsContact CE1-CD1 3.47Å; F244-I248 HydrophobicContact CE2-CD1 4.34Å; F244-I248 HydrophobicContact CZ-CD1 3.71Å; F244-I248 WeakPolarHBondContact O-CG1 3.12Å; F244-I248 PolarHBondContact O-N 2.97Å; F244-I248 VanDerWaalsContact O-N 3.12Å; L245-I248 PolarHBondContact O-N 2.94Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 PolarHBondContact O-N 2.93Å; I248-F251 PolarHBondContact O-N 3.47Å; I248-G252 PolarHBondContact O-N 2.87Å |
| 249 | A | 91 | Very high | 89 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 L245 S246 G252 Y253 | L40-A249 HydrophobicContact CD1-CB 4.28Å; L40-A249 HydrophobicContact CD2-CB 4.44Å; L245-A249 WeakPolarHBondContact O-CB 3.35Å; L245-A249 PolarHBondContact O-N 3.34Å; S246-A249 PolarHBondContact O-N 2.91Å; A249-G252 PolarHBondContact O-N 3.31Å; A249-Y253 WeakPolarHBondContact O-CB 3.45Å; A249-Y253 PolarHBondContact O-N 3.27Å |
| 250 | L | 90.6 | Very high | 87.2 | Confident | 99 Ų | 99 | 85.9 Ų | 85.9 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 175 | -179.7 | 64.6 | 0 | 0 | 0 | 111.6 | S246 V247 I248 Y253 L254 | S246-L250 VanDerWaalsContact O-CB 3.28Å; S246-L250 WeakPolarHBondContact O-CB 3.37Å; S246-L250 PolarHBondContact O-N 3.34Å; V247-L250 PolarHBondContact O-N 3.32Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 PolarHBondContact O-N 2.93Å; L250-Y253 PolarHBondContact O-N 3.43Å; L250-L254 HydrophobicContact CD1-CD1 4.5Å; L250-L254 HydrophobicContact CG-CD1 4.19Å; L250-L254 WeakPolarHBondContact O-CB 3.31Å; L250-L254 VanDerWaalsContact O-CG 3.31Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 2.88Å |
| 251 | F | 90.6 | Very high | 85.1 | Confident | 123 Ų | 123 | 88.5 Ų | 88.5 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.9 | -82.5 | -65.5 | 0 | 0 | 0 | 112 | V247 I248 Y253 L254 Q255 | V247-F251 HydrophobicContact CG1-CD2 3.7Å; V247-F251 HydrophobicContact CG1-CE2 3.61Å; V247-F251 VanDerWaalsContact O-CD2 3.26Å; V247-F251 WeakPolarHBondContact O-CD2 3.45Å; V247-F251 PolarHBondContact O-N 3.29Å; I248-F251 PolarHBondContact O-N 3.47Å; F251-Y253 VanDerWaalsContact C-N 3.35Å; F251-Y253 PolarHBondContact O-N 2.89Å; F251-L254 PolarHBondContact O-N 2.85Å; F251-Q255 WeakPolarHBondContact O-CB 3.26Å; F251-Q255 WeakPolarHBondContact O-CG 3.3Å; F251-Q255 PolarHBondContact O-N 3.33Å |
| 252 | G | 87.9 | Confident | 82.9 | Confident | 35 Ų | 35 | 97.2 Ų | 97.2 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I248 A249 Q255 F256 | I248-G252 PolarHBondContact O-N 2.87Å; A249-G252 PolarHBondContact O-N 3.31Å; G252-Q255 PolarHBondContact O-N 2.91Å; G252-F256 WeakPolarHBondContact O-CB 3.33Å; G252-F256 PolarHBondContact O-N 2.88Å |
| 253 | Y | 87.4 | Confident | 80.7 | Confident | 137 Ų | 137 | 99 Ų | 99 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 173.9 | 178.4 | -100.9 | 0 | 0 | 0 | 112.4 | A249 L250 F251 F256 M257 | A249-Y253 WeakPolarHBondContact O-CB 3.45Å; A249-Y253 PolarHBondContact O-N 3.27Å; L250-Y253 PolarHBondContact O-N 3.43Å; F251-Y253 VanDerWaalsContact C-N 3.35Å; F251-Y253 PolarHBondContact O-N 2.89Å; Y253-F256 PolarHBondContact O-N 3.46Å; Y253-M257 HydrophobicContact CD1-CG 4.27Å; Y253-M257 HydrophobicContact CD2-CG 4.48Å; Y253-M257 HydrophobicContact CE1-CG 3.84Å; Y253-M257 HydrophobicContact CE2-CG 4.07Å; Y253-M257 HydrophobicContact CE2-SD 4.35Å; Y253-M257 WeakPolarHBondContact O-CB 3.37Å; Y253-M257 VanDerWaalsContact O-CG 3.3Å; Y253-M257 WeakPolarHBondContact O-CG 3.26Å; Y253-M257 PolarHBondContact O-N 2.83Å |
| 254 | L | 87.9 | Confident | 78.5 | Confident | 64 Ų | 64 | 101.9 Ų | 101.9 | 34% | 0.335 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.3 | -71 | 169.7 | 0 | 0 | 0 | 111.7 | L250 F251 M257 W258 | L250-L254 HydrophobicContact CD1-CD1 4.5Å; L250-L254 HydrophobicContact CG-CD1 4.19Å; L250-L254 WeakPolarHBondContact O-CB 3.31Å; L250-L254 VanDerWaalsContact O-CG 3.31Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 2.88Å; F251-L254 PolarHBondContact O-N 2.85Å; L254-M257 PolarHBondContact O-N 3.49Å; L254-W258 WeakPolarHBondContact O-CB 3.46Å; L254-W258 PolarHBondContact O-N 3.21Å |
| 255 | Q | 85.5 | Confident | 76 | Confident | 146 Ų | 146 | 102.8 Ų | 102.8 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -36.8 | 173.4 | -77 | 179.2 | -13.4 | 0 | 0 | 112.4 | F251 G252 G259 | F251-Q255 WeakPolarHBondContact O-CB 3.26Å; F251-Q255 WeakPolarHBondContact O-CG 3.3Å; F251-Q255 PolarHBondContact O-N 3.33Å; G252-Q255 PolarHBondContact O-N 2.91Å; Q255-G259 VanDerWaalsContact O-CA 3.26Å; Q255-G259 WeakPolarHBondContact O-CA 3.39Å; Q255-G259 PolarHBondContact O-N 3.29Å |
| 256 | F | 82.9 | Confident | 73.5 | Confident | 155 Ų | 155 | 109.1 Ų | 109.1 | 68% | 0.68 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.2 | -44.7 | 173.3 | -179.9 | -101.5 | 0 | 0 | 0 | 111.4 | G252 Y253 G260 | G252-F256 WeakPolarHBondContact O-CB 3.33Å; G252-F256 PolarHBondContact O-N 2.88Å; Y253-F256 PolarHBondContact O-N 3.46Å; F256-G260 PolarHBondContact O-N 3.01Å |
| 257 | M | 81.4 | Confident | 71.4 | Confident | 95 Ų | 95 | 113.3 Ų | 113.3 | 47% | 0.468 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.6 | -40.4 | 179.4 | -72.7 | -63.7 | -59.7 | 0 | 0 | 113.5 | Y253 L254 | Y253-M257 HydrophobicContact CD1-CG 4.27Å; Y253-M257 HydrophobicContact CD2-CG 4.48Å; Y253-M257 HydrophobicContact CE1-CG 3.84Å; Y253-M257 HydrophobicContact CE2-CG 4.07Å; Y253-M257 HydrophobicContact CE2-SD 4.35Å; Y253-M257 WeakPolarHBondContact O-CB 3.37Å; Y253-M257 VanDerWaalsContact O-CG 3.3Å; Y253-M257 WeakPolarHBondContact O-CG 3.26Å; Y253-M257 PolarHBondContact O-N 2.83Å; L254-M257 PolarHBondContact O-N 3.49Å |
| 258 | W | 74 | Confident | 68.7 | Low | 198 Ų | 198 | 120 Ų | 120 | 75% | 0.75 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.9 | -30.1 | 175.8 | -78.8 | -23.2 | 0 | 0 | 0 | 113.4 | L254 G260 L261 | L254-W258 WeakPolarHBondContact O-CB 3.46Å; L254-W258 PolarHBondContact O-N 3.21Å; W258-G260 VanDerWaalsContact C-N 3.27Å; W258-G260 PolarHBondContact O-N 3.46Å; W258-L261 WeakPolarHBondContact O-CB 3.41Å; W258-L261 PolarHBondContact O-N 3.17Å; W258-L261 VanDerWaalsContact O-N 3.12Å |
| 259 | G | 60.8 | Low | 66.4 | Low | 49 Ų | 49 | 121.1 Ų | 121.1 | 51% | 0.505 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.5 | -31.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q255 L261 R262 | Q255-G259 VanDerWaalsContact O-CA 3.26Å; Q255-G259 WeakPolarHBondContact O-CA 3.39Å; Q255-G259 PolarHBondContact O-N 3.29Å; G259-L261 PolarHBondContact O-N 2.74Å; G259-R262 PolarHBondContact O-N 3.12Å; G259-R262 VanDerWaalsContact O-N 3.17Å |
| 260 | G | 56.9 | Low | 63.9 | Low | 55 Ų | 55 | 128.9 Ų | 128.9 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -3.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F256 W258 | F256-G260 PolarHBondContact O-N 3.01Å; W258-G260 VanDerWaalsContact C-N 3.27Å; W258-G260 PolarHBondContact O-N 3.46Å |
| 261 | L | 50.9 | Low | 61.9 | Low | 136 Ų | 136 | 130 Ų | 130 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.8 | 168.5 | -101.8 | 81.7 | 0 | 0 | 0 | 113.5 | W258 G259 P263 | W258-L261 WeakPolarHBondContact O-CB 3.41Å; W258-L261 PolarHBondContact O-N 3.17Å; W258-L261 VanDerWaalsContact O-N 3.12Å; G259-L261 PolarHBondContact O-N 2.74Å; L261-P263 VanDerWaalsContact O-CD 3.31Å; L261-P263 WeakPolarHBondContact O-CD 3.31Å |
| 262 | R | 49.4 | Very low | 59.7 | Low | 218 Ų | 218 | 131.8 Ų | 131.8 | 82% | 0.823 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -68.7 | 112.7 | 160.2 | -169.2 | 174.8 | -70.6 | 171.3 | -2.2 | 105.2 | G259 | G259-R262 PolarHBondContact O-N 3.12Å; G259-R262 VanDerWaalsContact O-N 3.17Å |
| 263 | P | 50.5 | Low | 57.6 | Low | 101 Ų | 101 | 137.8 Ų | 137.8 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | trans | -56.1 | 136.4 | -172.6 | 23.1 | -33.2 | 0 | 0 | 0 | 108.2 | L261 D265 | L261-P263 VanDerWaalsContact O-CD 3.31Å; L261-P263 WeakPolarHBondContact O-CD 3.31Å; P263-D265 PolarHBondContact O-N 2.75Å | ||
| 264 | P | 49.3 | Very low | 56 | Low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | trans | -56.4 | 124.1 | 168.3 | 25.7 | -32 | 0 | 0 | 0 | 105.6 | Q266 | P264-Q266 VanDerWaalsContact C-N 3.32Å; P264-Q266 PolarHBondContact O-N 3.06Å | ||
| 265 | D | 44.3 | Very low | 54.5 | Low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | trans | -53.2 | 109.3 | 168.8 | -106.4 | -38.9 | 0 | 0 | 0 | 105.3 | P263 V267 | P263-D265 PolarHBondContact O-N 2.75Å; D265-V267 PolarHBondContact O-N 2.8Å | ||
| 266 | Q | 40.6 | Very low | 53.1 | Low | 169 Ų | 169 | 129.8 Ų | 129.8 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -63.5 | 98.5 | 168.7 | -73.9 | -172.7 | 2.2 | 0 | 0 | 103.6 | P264 R268 | P264-Q266 VanDerWaalsContact C-N 3.32Å; P264-Q266 PolarHBondContact O-N 3.06Å; Q266-R268 PolarHBondContact O-N 2.73Å | ||
| 267 | V | 49.3 | Very low | 52 | Low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | -53.9 | 94.2 | 157.4 | 175.9 | 0 | 0 | 0 | 0 | 103.5 | D265 V269 | D265-V267 PolarHBondContact O-N 2.8Å; V267-V269 PolarHBondContact O-N 2.67Å | ||
| 268 | R | 38.4 | Very low | 51.1 | Low | 212 Ų | 212 | 130 Ų | 130 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | trans | -63.5 | 93.2 | 171 | -69 | -169.3 | -161.4 | -173.9 | 7.9 | 103.5 | Q266 R270 | Q266-R268 PolarHBondContact O-N 2.73Å; R268-R270 PolarHBondContact O-N 2.82Å | ||
| 269 | V | 45.6 | Very low | 50.4 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | trans | -55.2 | 94.4 | 146.6 | -177.9 | 0 | 0 | 0 | 0 | 103.2 | V267 V271 | V267-V269 PolarHBondContact O-N 2.67Å; V269-V271 HydrophobicContact CG1-CG2 3.94Å; V269-V271 PolarHBondContact O-N 2.89Å | ||
| 270 | R | 38.3 | Very low | 50.6 | Low | 209 Ų | 209 | 129.5 Ų | 129.5 | 79% | 0.789 | 67% | 0.669 | S | S | * | * | trans | -61.8 | 82 | 157.8 | -76.4 | -170.6 | -175.4 | -160.8 | 3.9 | 104.2 | R268 M272 | R268-R270 PolarHBondContact O-N 2.82Å; R270-M272 PolarHBondContact O-N 2.74Å | ||
| 271 | V | 47.5 | Very low | 51 | Low | 123 Ų | 123 | 135 Ų | 135 | 75% | 0.745 | 67% | 0.673 | S | S | * | * | trans | -54.2 | 105.7 | 149.3 | -177.6 | 0 | 0 | 0 | 0 | 102.4 | V269 M273 | V269-V271 HydrophobicContact CG1-CG2 3.94Å; V269-V271 PolarHBondContact O-N 2.89Å; V271-M273 PolarHBondContact O-N 2.74Å | ||
| 272 | M | 44.4 | Very low | 51.8 | Low | 161 Ų | 161 | 137.7 Ų | 137.7 | 79% | 0.793 | 67% | 0.674 | S | S | * | * | trans | -57.9 | 105.8 | -175.5 | -76.7 | -81.9 | -101.4 | 0 | 0 | 106.2 | R270 G274 | R270-M272 PolarHBondContact O-N 2.74Å; M272-G274 PolarHBondContact O-N 3.42Å | ||
| 273 | M | 44.1 | Very low | 52.8 | Low | 161 Ų | 161 | 136.8 Ų | 136.8 | 79% | 0.793 | 67% | 0.67 | S | S | * | * | trans | -74 | 51.6 | 167.3 | -136.4 | -80.6 | -165.1 | 0 | 0 | 107.5 | V271 T276 | V271-M273 PolarHBondContact O-N 2.74Å; M273-T276 HydrophobicContact CE-CG2 4.12Å; M273-T276 HydrophobicContact SD-CG2 3.87Å | ||
| 274 | G | 53.7 | Low | 53.9 | Low | 47 Ų | 47 | 138.4 Ų | 138.4 | 49% | 0.485 | 67% | 0.669 | S | S | . | * | trans | -74.9 | 143.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | M272 T276 | M272-G274 PolarHBondContact O-N 3.42Å; G274-T276 PolarHBondContact O-N 3.46Å | ||
| 275 | D | 55.9 | Low | 55 | Low | 59 Ų | 59 | 137.5 Ų | 137.5 | 32% | 0.316 | 66% | 0.655 | S | S | . | * | trans | 76.7 | 20 | 150.3 | -62.3 | -5 | 0 | 0 | 0 | 118.7 | T277 R278 I279 | D275-T277 PolarHBondContact O-N 2.79Å; D275-R278 HydrophobicContact CB-CB 3.83Å; D275-R278 HydrophobicContact CB-CG 4.13Å; D275-R278 PolarHBondContact O-N 2.97Å; D275-R278 VanDerWaalsContact OD1-CD 3.24Å; D275-R278 WeakPolarHBondContact OD1-CD 3.48Å; D275-R278 VanDerWaalsContact OD1-CG 3.31Å; D275-R278 WeakPolarHBondContact OD1-CG 3.39Å; D275-R278 IonicContact OD1-CZ 3.27Å; D275-R278 IonicContact OD1-NE 3.26Å; D275-R278 PolarHBondContact OD1-NE 3.04Å; D275-R278 IonicContact OD1-NH1 3.93Å; D275-R278 PolarHBondContact OD1-NH1 2.92Å; D275-R278 WeakPolarHBondContact OD2-CD 3.23Å; D275-R278 IonicContact OD2-CZ 3.73Å; D275-R278 IonicContact OD2-NE 3.39Å; D275-R278 IonicContact OD2-NH1 3.54Å; D275-R278 PolarHBondContact OD2-NH1 3.41Å; D275-I279 WeakPolarHBondContact O-CB 3.33Å; D275-I279 VanDerWaalsContact O-CG1 3.23Å; D275-I279 WeakPolarHBondContact O-CG1 3.42Å; D275-I279 PolarHBondContact O-N 3.4Å | ||
| 276 | T | 55.8 | Low | 56.1 | Low | 73 Ų | 73 | 132.5 Ų | 132.5 | 45% | 0.448 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -55.6 | -43.8 | 155.8 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | M273 G274 I279 Q280 | M273-T276 HydrophobicContact CE-CG2 4.12Å; M273-T276 HydrophobicContact SD-CG2 3.87Å; G274-T276 PolarHBondContact O-N 3.46Å; T276-I279 PolarHBondContact O-N 2.93Å; T276-Q280 PolarHBondContact O-N 3.34Å |
| 277 | T | 60.9 | Low | 57.6 | Low | 97 Ų | 97 | 134.2 Ų | 134.2 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.6 | -39 | 176 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | D275 Q280 R281 | D275-T277 PolarHBondContact O-N 2.79Å; T277-Q280 PolarHBondContact O-N 3.42Å; T277-R281 WeakPolarHBondContact O-CB 3.43Å; T277-R281 PolarHBondContact O-N 3.37Å |
| 278 | R | 61.5 | Low | 58.5 | Low | 156 Ų | 156 | 135.6 Ų | 135.6 | 59% | 0.589 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -33.4 | 175.4 | -62.1 | -164.5 | -171.1 | 142.6 | -11.1 | 112.4 | D275 R281 R282 | D275-R278 HydrophobicContact CB-CB 3.83Å; D275-R278 HydrophobicContact CB-CG 4.13Å; D275-R278 PolarHBondContact O-N 2.97Å; D275-R278 VanDerWaalsContact OD1-CD 3.24Å; D275-R278 WeakPolarHBondContact OD1-CD 3.48Å; D275-R278 VanDerWaalsContact OD1-CG 3.31Å; D275-R278 WeakPolarHBondContact OD1-CG 3.39Å; D275-R278 IonicContact OD1-CZ 3.27Å; D275-R278 IonicContact OD1-NE 3.26Å; D275-R278 PolarHBondContact OD1-NE 3.04Å; D275-R278 IonicContact OD1-NH1 3.93Å; D275-R278 PolarHBondContact OD1-NH1 2.92Å; D275-R278 WeakPolarHBondContact OD2-CD 3.23Å; D275-R278 IonicContact OD2-CZ 3.73Å; D275-R278 IonicContact OD2-NE 3.39Å; D275-R278 IonicContact OD2-NH1 3.54Å; D275-R278 PolarHBondContact OD2-NH1 3.41Å; R278-R281 PolarHBondContact O-N 3.07Å; R278-R282 WeakPolarHBondContact O-CG 3.46Å; R278-R282 PolarHBondContact O-N 3.13Å |
| 279 | I | 61.2 | Low | 59.7 | Low | 111 Ų | 111 | 134.9 Ų | 134.9 | 57% | 0.569 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.4 | -41.5 | 174.3 | -69.5 | 166.6 | 0 | 0 | 0 | 110.5 | D275 T276 R283 | D275-I279 WeakPolarHBondContact O-CB 3.33Å; D275-I279 VanDerWaalsContact O-CG1 3.23Å; D275-I279 WeakPolarHBondContact O-CG1 3.42Å; D275-I279 PolarHBondContact O-N 3.4Å; T276-I279 PolarHBondContact O-N 2.93Å; I279-R283 PolarHBondContact O-N 3.4Å; I279-R283 VanDerWaalsContact O-N 3.13Å |
| 280 | Q | 64.9 | Low | 60.2 | Low | 127 Ų | 127 | 137.2 Ų | 137.2 | 59% | 0.593 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.2 | -45.8 | 171.7 | -78.9 | 172.6 | -68.8 | 0 | 0 | 111.8 | T276 T277 R282 R283 E284 | T276-Q280 PolarHBondContact O-N 3.34Å; T277-Q280 PolarHBondContact O-N 3.42Å; Q280-R282 PolarHBondContact O-N 2.71Å; Q280-R283 WeakPolarHBondContact O-CA 3.28Å; Q280-R283 WeakPolarHBondContact O-CB 3.43Å; Q280-R283 PolarHBondContact O-N 2.92Å; Q280-E284 PolarHBondContact O-N 3.27Å |
| 281 | R | 65 | Low | 61.1 | Low | 171 Ų | 171 | 131.7 Ų | 131.7 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60 | -43.7 | 178.6 | -148.5 | -178.8 | -158.8 | 168.9 | 4.8 | 112.5 | T277 R278 R283 E284 E285 | T277-R281 WeakPolarHBondContact O-CB 3.43Å; T277-R281 PolarHBondContact O-N 3.37Å; R278-R281 PolarHBondContact O-N 3.07Å; R281-R283 VanDerWaalsContact C-N 3.31Å; R281-R283 PolarHBondContact O-N 3.44Å; R281-E284 PolarHBondContact O-N 3.49Å; R281-E285 WeakPolarHBondContact O-CB 3.24Å; R281-E285 WeakPolarHBondContact O-CG 3.31Å; R281-E285 PolarHBondContact O-N 3.07Å |
| 282 | R | 66.4 | Low | 61.3 | Low | 192 Ų | 192 | 130.5 Ų | 130.5 | 73% | 0.725 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.6 | -34.9 | 173.4 | -74.2 | -169.8 | -171.5 | -162.7 | 5.9 | 112.8 | R278 Q280 A286 | R278-R282 WeakPolarHBondContact O-CG 3.46Å; R278-R282 PolarHBondContact O-N 3.13Å; Q280-R282 PolarHBondContact O-N 2.71Å; R282-A286 VanDerWaalsContact O-CB 3.28Å; R282-A286 WeakPolarHBondContact O-CB 3.33Å; R282-A286 PolarHBondContact O-N 3.31Å |
| 283 | R | 71.2 | Confident | 61.6 | Low | 199 Ų | 199 | 127.9 Ų | 127.9 | 75% | 0.751 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.2 | -41.2 | 174.8 | -104 | 179.8 | 169 | 170.5 | -2.9 | 112.1 | I279 Q280 R281 R287 | I279-R283 PolarHBondContact O-N 3.4Å; I279-R283 VanDerWaalsContact O-N 3.13Å; Q280-R283 WeakPolarHBondContact O-CA 3.28Å; Q280-R283 WeakPolarHBondContact O-CB 3.43Å; Q280-R283 PolarHBondContact O-N 2.92Å; R281-R283 VanDerWaalsContact C-N 3.31Å; R281-R283 PolarHBondContact O-N 3.44Å; R283-R287 WeakPolarHBondContact O-CB 3.41Å; R283-R287 PolarHBondContact O-N 2.88Å |
| 284 | E | 72.6 | Confident | 61.4 | Low | 135 Ų | 135 | 128.4 Ų | 128.4 | 63% | 0.631 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.7 | -40 | 175.9 | -69.4 | -173.6 | 143.5 | 0 | 0 | 112.7 | Q280 R281 R287 K288 | Q280-E284 PolarHBondContact O-N 3.27Å; R281-E284 PolarHBondContact O-N 3.49Å; E284-R287 PolarHBondContact O-N 3.27Å; E284-K288 PolarHBondContact O-N 3.22Å |
| 285 | E | 72.8 | Confident | 60.4 | Low | 90 Ų | 90 | 131.5 Ų | 131.5 | 42% | 0.421 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64 | -41.1 | 174.6 | -74.4 | 169.4 | -163.8 | 0 | 0 | 111.9 | R281 R287 K288 R289 | R281-E285 WeakPolarHBondContact O-CB 3.24Å; R281-E285 WeakPolarHBondContact O-CG 3.31Å; R281-E285 PolarHBondContact O-N 3.07Å; E285-R287 VanDerWaalsContact C-N 3.33Å; E285-R287 PolarHBondContact O-N 3.41Å; E285-K288 PolarHBondContact O-N 3.14Å; E285-R289 WeakPolarHBondContact O-CG 3.24Å; E285-R289 PolarHBondContact O-N 3.08Å |
| 286 | A | 69 | Low | 59.3 | Low | 50 Ų | 50 | 134.7 Ų | 134.7 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -62.2 | -40.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R282 R289 M290 | R282-A286 VanDerWaalsContact O-CB 3.28Å; R282-A286 WeakPolarHBondContact O-CB 3.33Å; R282-A286 PolarHBondContact O-N 3.31Å; A286-R289 PolarHBondContact O-N 2.96Å; A286-M290 PolarHBondContact O-N 2.88Å; A286-M290 VanDerWaalsContact O-N 3.14Å |
| 287 | R | 70.7 | Confident | 58.5 | Low | 206 Ų | 206 | 136.7 Ų | 136.7 | 78% | 0.777 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.7 | -39.4 | 177 | -155.7 | 177 | -163.9 | -171.1 | 3.6 | 112.3 | R283 E284 E285 M290 S291 | R283-R287 WeakPolarHBondContact O-CB 3.41Å; R283-R287 PolarHBondContact O-N 2.88Å; E284-R287 PolarHBondContact O-N 3.27Å; E285-R287 VanDerWaalsContact C-N 3.33Å; E285-R287 PolarHBondContact O-N 3.41Å; R287-M290 PolarHBondContact O-N 3.26Å; R287-S291 PolarHBondContact O-N 3.23Å |
| 288 | K | 67.6 | Low | 57 | Low | 156 Ų | 156 | 139.2 Ų | 139.2 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.6 | -33.8 | 173.3 | -80.4 | -174 | 172.5 | -177.2 | 0 | 113.2 | E284 E285 M290 S291 S292 | E284-K288 PolarHBondContact O-N 3.22Å; E285-K288 PolarHBondContact O-N 3.14Å; K288-M290 VanDerWaalsContact C-N 3.33Å; K288-S291 PolarHBondContact O-N 3.37Å; K288-S291 PolarHBondContact O-OG 2.94Å; K288-S291 VanDerWaalsContact O-OG 3.08Å; K288-S292 VanDerWaalsContact O-CB 3.24Å; K288-S292 WeakPolarHBondContact O-CB 3.38Å; K288-S292 PolarHBondContact O-N 3.16Å; K288-S292 VanDerWaalsContact O-N 3.16Å |
| 289 | R | 65.2 | Low | 55.5 | Low | 196 Ų | 196 | 138.8 Ų | 138.8 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.8 | -30.9 | 174.9 | -74.1 | 179.7 | -173 | -177.9 | 4 | 112.7 | E285 A286 S291 | E285-R289 WeakPolarHBondContact O-CG 3.24Å; E285-R289 PolarHBondContact O-N 3.08Å; A286-R289 PolarHBondContact O-N 2.96Å; R289-S291 VanDerWaalsContact C-N 3.32Å |
| 290 | M | 56.2 | Low | 55.2 | Low | 162 Ų | 162 | 138.9 Ų | 138.9 | 80% | 0.798 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -72.5 | -21.2 | 171.4 | -70.9 | 177.7 | 175.1 | 0 | 0 | 113.8 | A286 R287 K288 | A286-M290 PolarHBondContact O-N 2.88Å; A286-M290 VanDerWaalsContact O-N 3.14Å; R287-M290 PolarHBondContact O-N 3.26Å; K288-M290 VanDerWaalsContact C-N 3.33Å |
| 291 | S | 55.6 | Low | 53.3 | Low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -2.2 | 178.6 | 70.6 | 0 | 0 | 0 | 0 | 114.5 | R287 K288 R289 | R287-S291 PolarHBondContact O-N 3.23Å; K288-S291 PolarHBondContact O-N 3.37Å; K288-S291 PolarHBondContact O-OG 2.94Å; K288-S291 VanDerWaalsContact O-OG 3.08Å; R289-S291 VanDerWaalsContact C-N 3.32Å |
| 292 | S | 53.5 | Low | 51.6 | Low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -111.9 | 9 | -171.8 | -170.5 | 0 | 0 | 0 | 0 | 113.6 | K288 E294 | K288-S292 VanDerWaalsContact O-CB 3.24Å; K288-S292 WeakPolarHBondContact O-CB 3.38Å; K288-S292 PolarHBondContact O-N 3.16Å; K288-S292 VanDerWaalsContact O-N 3.16Å; S292-E294 VanDerWaalsContact C-N 3.3Å; S292-E294 PolarHBondContact O-N 3.45Å |
| 293 | S | 50.1 | Low | 49.6 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -92.4 | 27 | 179.6 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 294 | E | 39.1 | Very low | 47.6 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -128.8 | 107.3 | 179.9 | -165.3 | 159 | -160.5 | 0 | 0 | 110.9 | S292 | S292-E294 VanDerWaalsContact C-N 3.3Å; S292-E294 PolarHBondContact O-N 3.45Å |
| 295 | S | 33.3 | Very low | 45.6 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | 95 | 146 | 166.9 | -48.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 296 | P | 32.1 | Very low | 43.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -102.6 | 179.2 | -162.3 | 1.4 | 24.3 | 0 | 0 | 0 | 114.8 | ||||
| 297 | P | 40.5 | Very low | 41.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -98.7 | 160.6 | -160 | 38.5 | -36.9 | 0 | 0 | 0 | 116.4 | ||||
| 298 | V | 28.7 | Very low | 39.8 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | trans | -139.9 | 150.3 | 162.6 | -177 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 299 | I | 30.7 | Very low | 38 | Very low | 147 Ų | 147 | 130 Ų | 130 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -137.8 | 161 | -172.2 | -45.3 | 167.5 | 0 | 0 | 0 | 106.8 | ||||
| 300 | P | 53 | Low | 36.1 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -122.4 | -175.5 | -45 | 38.7 | -24.3 | 0 | 0 | 0 | 112.2 | ||||
| 301 | E | 25.4 | Very low | 34.9 | Very low | 200 Ų | 200 | 126.9 Ų | 126.9 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | -156.5 | 170.8 | 137.3 | -125.9 | 173.3 | -174.2 | 0 | 0 | 112.8 | ||||
| 302 | A | 28.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -128.9 | -167.4 | -152.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 303 | S | 26.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 82.4 | 138.1 | -173.5 | -160.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 304 | G | 28 | Very low | 31.3 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 149.7 | 149.7 | 9.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 305 | A | 30.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | cis | -154.5 | 171.1 | 5.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 306 | E | 30 | Very low | 30.6 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | 27 | 147.7 | 139.9 | -66.5 | 171.8 | 130.6 | 0 | 0 | 121.4 | ||||
| 307 | A | 30.3 | Very low | 30.6 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -166.4 | -169.4 | -10 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 308 | A | 30.7 | Very low | 30.1 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | cis | -150.1 | -136.2 | 7.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 309 | Q | 29.3 | Very low | 30.2 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -125.4 | -177.8 | 178.2 | -63 | 161.5 | -55 | 0 | 0 | 108.4 | ||||
| 310 | T | 26.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 78% | 0.778 | S | S | * | * | -176 | 136.1 | 66.6 | -63.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 311 | Q | 29.3 | Very low | 29.8 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | 71.6 | 141.6 | 150.2 | -76.8 | 156.7 | -7.3 | 0 | 0 | 125.6 | ||||
| 312 | Q | 28.8 | Very low | 30.2 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -96 | 166.5 | 161.9 | -54 | 153.9 | -94.6 | 0 | 0 | 108.7 | ||||
| 313 | E | 28.7 | Very low | 30.2 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | -169.1 | 138.4 | 126.8 | -108.1 | 170.7 | 177.6 | 0 | 0 | 112.9 | |||||
| 314 | E | 27.3 | Very low | 30.5 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 61.5 | 158.5 | 138.2 | -78.8 | -163.4 | 160.7 | 0 | 0 | 123.6 | ||||
| 315 | S | 28.1 | Very low | 30.4 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | cis | -165 | 166.7 | -9.3 | 43.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 316 | H | 30.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 55.9 | 159.7 | 151.9 | -83.2 | -18 | 0 | 0 | 0 | 121.7 | ||||
| 317 | N | 30.4 | Very low | 30.5 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | cis | -150.9 | 140.8 | -10.3 | -120.2 | -18.6 | 0 | 0 | 0 | 107.7 | ||||
| 318 | S | 31.3 | Very low | 30.5 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | 58.4 | 114.3 | 91.2 | -54 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 319 | E | 31.2 | Very low | 30.6 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | -178.7 | 142.4 | 124.6 | -100.7 | 177 | 136.8 | 0 | 0 | 113.5 | |||||
| 320 | G | 28 | Very low | 30.8 | Very low | 66 Ų | 66 | 136.2 Ų | 136.2 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -100.7 | -150.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 321 | P | 45.9 | Very low | 31 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -136.8 | 162.2 | 9.4 | 45.7 | -27.4 | 0 | 0 | 0 | 114.5 | ||||
| 322 | V | 33.4 | Very low | 31 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | 90.5 | 149.2 | 105.5 | 167.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 323 | E | 30.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -45.9 | 167.9 | 177.8 | -54.6 | 161 | 139.5 | 0 | 0 | 115.9 | ||||
| 324 | T | 31.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | -164.5 | 144.7 | 54.2 | 24 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 325 | D | 27.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | 66 | 143.1 | 85.3 | -157.9 | 20.9 | 0 | 0 | 0 | 115.9 | |||||
| 326 | G | 29.7 | Very low | 31.5 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 143.8 | 113.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 327 | S | 30.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -103.1 | 177.1 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 328 | N | 31.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | 102.7 | 136.7 | 142.4 | -94.8 | 27.9 | 0 | 0 | 0 | 123.5 | ||||
| 329 | E | 32.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 68.7 | 131.1 | 147.1 | -67.5 | 172.2 | 106.4 | 0 | 0 | 120.6 | ||||
| 330 | L | 34 | Very low | 32.3 | Very low | 138 Ų | 138 | 130 Ų | 130 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | cis | 101.3 | 101.5 | 30.4 | -159 | 170.7 | 0 | 0 | 0 | 112.4 | ||||
| 331 | N | 30.2 | Very low | 32.8 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 170.7 | 151.3 | 152 | -89.7 | -35.1 | 0 | 0 | 0 | 108.8 | ||||
| 332 | G | 29.3 | Very low | 32.6 | Very low | 57 Ų | 57 | 132.3 Ų | 132.3 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | cis | 139.8 | 143.1 | -0 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 333 | S | 32.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 71.6 | 123.5 | 174.1 | 67.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 334 | L | 32.8 | Very low | 33.4 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | 70.9 | 139.7 | 77.7 | -95.8 | 71.3 | 0 | 0 | 0 | 112.6 | |||||
| 335 | Q | 30.1 | Very low | 33.5 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | cis | -150.7 | 148.9 | 22.6 | -105.2 | 155.5 | -9.4 | 0 | 0 | 109.2 | ||||
| 336 | S | 28.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | 80 | 112.6 | 73.2 | -163.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 337 | Q | 32 | Very low | 34 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | 52.4 | 119.2 | 146.5 | -67.6 | -177.3 | -14.8 | 0 | 0 | 123.1 | ||||
| 338 | T | 33.2 | Very low | 34.2 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | -164.2 | 158.3 | 113 | 36.7 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 339 | G | 34.1 | Very low | 34.4 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | cis | 127.3 | 78.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 340 | E | 39.4 | Very low | 34.6 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -154.8 | 156 | 169.3 | -131.8 | 171 | 175.1 | 0 | 0 | 114.5 | ||||
| 341 | T | 39.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | trans | -115.4 | 143.2 | -166.4 | 46 | 0 | 0 | 0 | 0 | 113 | ||||
| 342 | A | 41.2 | Very low | 35 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | trans | 177.3 | 124.8 | 138 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 343 | V | 46.9 | Very low | 35.5 | Very low | 222 Ų | 222 | 144.5 Ų | 144.5 | 100% | 1.345 | 86% | 0.863 | S | S | * | * | -179.9 | 0 | 115.8 | 164.9 | 0 | 0 | 0 | 0 | 107 |
Retrieved 343 of 343 residues in 52.7 ms
(Link to these results)