| 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 | 46.6 | Very low | 48.9 | Very low | 226 Ų | 226 | 136.4 Ų | 136.4 | 100% | 1.113 | 71% | 0.711 | S | S | * | * | 0 | 46.8 | 0 | -95.8 | -95.3 | -168.3 | 0 | 0 | 108.1 | |||||
| 2 | D | 47.9 | Very low | 49.1 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | trans | -130.5 | 17.2 | -153.2 | -58.1 | -66.7 | 0 | 0 | 0 | 114.9 | ||||
| 3 | S | 52.2 | Low | 49.4 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -105.7 | -0 | -177.3 | 67.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 4 | L | 48.1 | Very low | 49.7 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.7 | -13.7 | -175.8 | -87.1 | 159 | 0 | 0 | 0 | 114.9 | ||
| 5 | Y | 48 | Very low | 50.4 | Low | 189 Ų | 189 | 132.1 Ų | 132.1 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -87.8 | -8.8 | -174.6 | -102.4 | -82.1 | 0 | 0 | 0 | 115.6 | ||
| 6 | T | 50.8 | Low | 51.4 | Low | 103 Ų | 103 | 133.1 Ų | 133.1 | 63% | 0.632 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -88.2 | -19.7 | -177 | 42.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 7 | N | 48.3 | Very low | 52.4 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.6 | -28.4 | -178.7 | -84.5 | -16.8 | 0 | 0 | 0 | 114.1 | F11 | N7-F11 PolarHBondContact O-N 2.94Å |
| 8 | E | 48.5 | Very low | 53.4 | Low | 133 Ų | 133 | 126.5 Ų | 126.5 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.6 | -34.1 | 178.8 | -72.5 | -158 | 149.8 | 0 | 0 | 112.9 | G10 F11 I12 | E8-G10 VanDerWaalsContact C-N 3.31Å; E8-G10 PolarHBondContact O-N 2.91Å; E8-F11 PolarHBondContact O-N 3.06Å; E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 3.05Å |
| 9 | I | 52.9 | Low | 54.6 | Low | 113 Ų | 113 | 123.2 Ų | 123.2 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.4 | -31.1 | -179.2 | -57.5 | 172.4 | 0 | 0 | 0 | 111 | K13 | I9-K13 PolarHBondContact O-N 2.75Å |
| 10 | G | 47.1 | Very low | 55.7 | Low | 44 Ų | 44 | 122.5 Ų | 122.5 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.8 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E8 K13 L14 | E8-G10 VanDerWaalsContact C-N 3.31Å; E8-G10 PolarHBondContact O-N 2.91Å; G10-K13 PolarHBondContact O-N 3.37Å; G10-L14 PolarHBondContact O-N 2.83Å |
| 11 | F | 47.2 | Very low | 56.7 | Low | 168 Ų | 168 | 124.8 Ų | 124.8 | 74% | 0.737 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68 | -38.3 | -179.1 | -121.2 | -90.4 | 0 | 0 | 0 | 112.6 | N7 E8 K13 L14 N15 | N7-F11 PolarHBondContact O-N 2.94Å; E8-F11 PolarHBondContact O-N 3.06Å; F11-K13 PolarHBondContact O-N 3.06Å; F11-L14 PolarHBondContact O-N 3.47Å; F11-N15 PolarHBondContact O-N 3.45Å; F11-N15 VanDerWaalsContact O-N 3.11Å |
| 12 | I | 51.7 | Low | 58.3 | Low | 99 Ų | 99 | 118.1 Ų | 118.1 | 51% | 0.508 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.7 | -34.3 | 178.1 | -64 | 167.3 | 0 | 0 | 0 | 111.6 | E8 K16 | E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 3.05Å; I12-K16 WeakPolarHBondContact O-CG 3.4Å; I12-K16 PolarHBondContact O-N 3.32Å |
| 13 | K | 53.3 | Low | 59.9 | Low | 157 Ų | 157 | 113.9 Ų | 113.9 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.9 | -36.5 | 175.3 | -103 | -179.5 | 175.6 | 178.1 | 0 | 112.7 | I9 G10 F11 T17 | I9-K13 PolarHBondContact O-N 2.75Å; G10-K13 PolarHBondContact O-N 3.37Å; F11-K13 PolarHBondContact O-N 3.06Å; K13-T17 PolarHBondContact O-N 2.99Å; K13-T17 PolarHBondContact O-OG1 2.04Å |
| 14 | L | 53.2 | Low | 61.3 | Low | 127 Ų | 127 | 113.9 Ų | 113.9 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.9 | -37.5 | 176.1 | -134.2 | 86.8 | 0 | 0 | 0 | 111.5 | G10 F11 T17 C18 | G10-L14 PolarHBondContact O-N 2.83Å; F11-L14 PolarHBondContact O-N 3.47Å; L14-T17 PolarHBondContact O-OG1 3.05Å; L14-C18 PolarHBondContact O-N 3.34Å |
| 15 | N | 60.8 | Low | 62.8 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.5 | -40.2 | -179.2 | -151.6 | 3.6 | 0 | 0 | 0 | 112.2 | F11 T17 C18 I19 | F11-N15 PolarHBondContact O-N 3.45Å; F11-N15 VanDerWaalsContact O-N 3.11Å; N15-T17 PolarHBondContact O-N 3.11Å; N15-C18 PolarHBondContact O-N 2.96Å; N15-I19 VanDerWaalsContact O-CG1 3.28Å; N15-I19 WeakPolarHBondContact O-CG1 3.44Å; N15-I19 PolarHBondContact O-N 2.9Å |
| 16 | K | 65.5 | Low | 64.4 | Low | 149 Ų | 149 | 106.3 Ų | 106.3 | 65% | 0.648 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -37.9 | 177.1 | -75.1 | -177.3 | 178.1 | -177.5 | 0 | 113.4 | I12 L20 | I12-K16 WeakPolarHBondContact O-CG 3.4Å; I12-K16 PolarHBondContact O-N 3.32Å; K16-L20 PolarHBondContact O-N 3.48Å |
| 17 | T | 68.8 | Low | 65.7 | Low | 78 Ų | 78 | 104.3 Ų | 104.3 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | K13 L14 N15 L20 W21 | K13-T17 PolarHBondContact O-N 2.99Å; K13-T17 PolarHBondContact O-OG1 2.04Å; L14-T17 PolarHBondContact O-OG1 3.05Å; N15-T17 PolarHBondContact O-N 3.11Å; T17-L20 PolarHBondContact O-N 3.34Å; T17-W21 VanDerWaalsContact O-CD1 3.27Å; T17-W21 PolarHBondContact O-N 3.43Å; T17-W21 VanDerWaalsContact O-N 3.15Å |
| 18 | C | 71 | Confident | 67.1 | Low | 69 Ų | 69 | 101.8 Ų | 101.8 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.1 | -164.7 | 0 | 0 | 0 | 0 | 112.3 | L14 N15 L20 W21 I22 | L14-C18 PolarHBondContact O-N 3.34Å; N15-C18 PolarHBondContact O-N 2.96Å; C18-L20 PolarHBondContact O-N 3.41Å; C18-W21 PolarHBondContact O-N 2.85Å; C18-I22 WeakPolarHBondContact O-CG1 3.09Å; C18-I22 PolarHBondContact O-N 3.2Å |
| 19 | I | 76.4 | Confident | 68.3 | Low | 63 Ų | 63 | 103.2 Ų | 103.2 | 32% | 0.323 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.9 | -65.8 | 164.5 | 0 | 0 | 0 | 111.2 | N15 W21 I22 V23 | N15-I19 VanDerWaalsContact O-CG1 3.28Å; N15-I19 WeakPolarHBondContact O-CG1 3.44Å; N15-I19 PolarHBondContact O-N 2.9Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 3Å; I19-I22 PolarHBondContact O-N 2.66Å; I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 WeakPolarHBondContact O-CG2 3.03Å; I19-V23 PolarHBondContact O-N 3.07Å |
| 20 | L | 76.7 | Confident | 69 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 177.7 | -171.8 | 71.9 | 0 | 0 | 0 | 112 | K16 T17 C18 V23 L24 | K16-L20 PolarHBondContact O-N 3.48Å; T17-L20 PolarHBondContact O-N 3.34Å; C18-L20 PolarHBondContact O-N 3.41Å; L20-V23 PolarHBondContact O-N 3.36Å; L20-L24 HydrophobicContact CG-CD1 4.27Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.15Å; L20-L24 PolarHBondContact O-N 3.35Å |
| 21 | W | 76.8 | Confident | 69.8 | Low | 172 Ų | 172 | 106.3 Ų | 106.3 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 176.5 | -88.5 | 102.5 | 0 | 0 | 0 | 112.7 | T17 C18 I19 L24 L25 | T17-W21 VanDerWaalsContact O-CD1 3.27Å; T17-W21 PolarHBondContact O-N 3.43Å; T17-W21 VanDerWaalsContact O-N 3.15Å; C18-W21 PolarHBondContact O-N 2.85Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 3Å; W21-L24 PolarHBondContact O-N 2.94Å; W21-L25 WeakPolarHBondContact O-CG 3.45Å; W21-L25 PolarHBondContact O-N 3.07Å |
| 22 | I | 80 | Confident | 70.4 | Confident | 86 Ų | 86 | 104.4 Ų | 104.4 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.2 | -67.1 | 166.9 | 0 | 0 | 0 | 110.4 | C18 I19 L24 L25 I26 | C18-I22 WeakPolarHBondContact O-CG1 3.09Å; C18-I22 PolarHBondContact O-N 3.2Å; I19-I22 PolarHBondContact O-N 2.66Å; I22-L24 PolarHBondContact O-N 2.98Å; I22-L25 PolarHBondContact O-N 3.08Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.44Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 2.96Å |
| 23 | V | 81.2 | Confident | 70.7 | Confident | 61 Ų | 61 | 105.6 Ų | 105.6 | 37% | 0.37 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | I19 L20 L25 I26 C27 | I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 WeakPolarHBondContact O-CG2 3.03Å; I19-V23 PolarHBondContact O-N 3.07Å; L20-V23 PolarHBondContact O-N 3.36Å; V23-L25 PolarHBondContact O-N 2.74Å; V23-I26 PolarHBondContact O-N 3.07Å; V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 2.96Å; V23-C27 PolarHBondContact O-SG 3.08Å; V23-C27 VanDerWaalsContact O-SG 3.32Å |
| 24 | L | 80.5 | Confident | 70.7 | Confident | 98 Ų | 98 | 101.9 Ų | 101.9 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.3 | -84.4 | 163.1 | 0 | 0 | 0 | 112.7 | L20 W21 I22 C27 S28 | L20-L24 HydrophobicContact CG-CD1 4.27Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.15Å; L20-L24 PolarHBondContact O-N 3.35Å; W21-L24 PolarHBondContact O-N 2.94Å; I22-L24 PolarHBondContact O-N 2.98Å; L24-C27 PolarHBondContact O-N 2.93Å; L24-S28 VanDerWaalsContact O-CB 3.27Å; L24-S28 WeakPolarHBondContact O-CB 3.48Å; L24-S28 PolarHBondContact O-N 3.35Å |
| 25 | L | 80.3 | Confident | 70.7 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 176.8 | -74.3 | 171.9 | 0 | 0 | 0 | 112.1 | W21 I22 V23 S28 K29 | W21-L25 WeakPolarHBondContact O-CG 3.45Å; W21-L25 PolarHBondContact O-N 3.07Å; I22-L25 PolarHBondContact O-N 3.08Å; V23-L25 PolarHBondContact O-N 2.74Å; L25-S28 PolarHBondContact O-N 2.82Å; L25-K29 PolarHBondContact O-N 3.21Å |
| 26 | I | 81.3 | Confident | 70.4 | Confident | 72 Ų | 72 | 105.9 Ų | 105.9 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -49.9 | 175.1 | -68.4 | 169.6 | 0 | 0 | 0 | 109.5 | I22 V23 S28 K29 F30 | I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.44Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.47Å; I22-I26 PolarHBondContact O-N 2.96Å; V23-I26 PolarHBondContact O-N 3.07Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 3.18Å; I26-K29 PolarHBondContact O-N 3.26Å; I26-F30 HydrophobicContact CG2-CD2 3.54Å; I26-F30 HydrophobicContact CG2-CE2 3.62Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.08Å; I26-F30 PolarHBondContact O-N 3.36Å |
| 27 | C | 78.8 | Confident | 69.5 | Low | 60 Ų | 60 | 101.8 Ų | 101.8 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 176.5 | -74 | 0 | 0 | 0 | 0 | 112 | V23 L24 K29 F30 I31 | V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 2.96Å; V23-C27 PolarHBondContact O-SG 3.08Å; V23-C27 VanDerWaalsContact O-SG 3.32Å; L24-C27 PolarHBondContact O-N 2.93Å; C27-K29 PolarHBondContact O-N 3Å; C27-F30 PolarHBondContact O-N 3.2Å; C27-I31 WeakPolarHBondContact O-CB 3.34Å; C27-I31 WeakPolarHBondContact O-CD1 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.43Å; C27-I31 PolarHBondContact O-N 2.99Å |
| 28 | S | 76.1 | Confident | 68.5 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | L24 L25 I26 I31 H32 | L24-S28 VanDerWaalsContact O-CB 3.27Å; L24-S28 WeakPolarHBondContact O-CB 3.48Å; L24-S28 PolarHBondContact O-N 3.35Å; L25-S28 PolarHBondContact O-N 2.82Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 3.18Å; S28-I31 PolarHBondContact O-N 3.34Å; S28-H32 WeakPolarHBondContact O-CB 3.41Å; S28-H32 PolarHBondContact O-N 3.45Å |
| 29 | K | 73.9 | Confident | 67.8 | Low | 163 Ų | 163 | 103 Ų | 103 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 174.7 | -76.2 | -162.1 | 175.2 | -170.3 | 0 | 112.6 | L25 I26 C27 H32 L33 | L25-K29 PolarHBondContact O-N 3.21Å; I26-K29 PolarHBondContact O-N 3.26Å; C27-K29 PolarHBondContact O-N 3Å; K29-H32 PolarHBondContact O-N 3.18Å; K29-L33 WeakPolarHBondContact O-CB 3.06Å; K29-L33 PolarHBondContact O-N 2.88Å |
| 30 | F | 67.6 | Low | 67.3 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.6 | -38.2 | 176 | -91.2 | -79.2 | 0 | 0 | 0 | 112.6 | I26 C27 H32 L33 S34 | I26-F30 HydrophobicContact CG2-CD2 3.54Å; I26-F30 HydrophobicContact CG2-CE2 3.62Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.08Å; I26-F30 PolarHBondContact O-N 3.36Å; C27-F30 PolarHBondContact O-N 3.2Å; F30-H32 VanDerWaalsContact C-N 3.35Å; F30-L33 PolarHBondContact O-N 2.97Å; F30-S34 VanDerWaalsContact O-CB 3.24Å; F30-S34 WeakPolarHBondContact O-CB 3.43Å; F30-S34 PolarHBondContact O-N 3.5Å; F30-S34 PolarHBondContact O-OG 2.93Å |
| 31 | I | 64.8 | Low | 67.5 | Low | 117 Ų | 117 | 104 Ų | 104 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 173.8 | -68 | 161.7 | 0 | 0 | 0 | 109.2 | C27 S28 L33 S34 Y35 | C27-I31 WeakPolarHBondContact O-CB 3.34Å; C27-I31 WeakPolarHBondContact O-CD1 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.43Å; C27-I31 PolarHBondContact O-N 2.99Å; S28-I31 PolarHBondContact O-N 3.34Å; I31-L33 PolarHBondContact O-N 3.09Å; I31-S34 PolarHBondContact O-N 2.98Å; I31-Y35 WeakPolarHBondContact O-CB 3.39Å; I31-Y35 PolarHBondContact O-N 3.2Å |
| 32 | H | 58.7 | Low | 67.9 | Low | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 177.4 | -157 | -78.6 | 0 | 0 | 0 | 112.4 | S28 K29 F30 Y35 I36 | S28-H32 WeakPolarHBondContact O-CB 3.41Å; S28-H32 PolarHBondContact O-N 3.45Å; K29-H32 PolarHBondContact O-N 3.18Å; F30-H32 VanDerWaalsContact C-N 3.35Å; H32-Y35 PolarHBondContact O-N 2.94Å; H32-I36 VanDerWaalsContact ND1-CD1 3.25Å; H32-I36 WeakPolarHBondContact ND1-CD1 3.45Å; H32-I36 WeakPolarHBondContact O-CD1 3.28Å; H32-I36 VanDerWaalsContact O-CG1 3.29Å; H32-I36 WeakPolarHBondContact O-CG1 3.41Å; H32-I36 PolarHBondContact O-N 3.31Å; H32-I36 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 57.9 | Low | 68.2 | Low | 124 Ų | 124 | 98 Ų | 98 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 175.3 | -133.1 | 77.7 | 0 | 0 | 0 | 112 | K29 F30 I31 Y35 I36 G37 | K29-L33 WeakPolarHBondContact O-CB 3.06Å; K29-L33 PolarHBondContact O-N 2.88Å; F30-L33 PolarHBondContact O-N 2.97Å; I31-L33 PolarHBondContact O-N 3.09Å; L33-Y35 VanDerWaalsContact C-N 3.31Å; L33-I36 PolarHBondContact O-N 3.49Å; L33-G37 PolarHBondContact O-N 3.35Å |
| 34 | S | 54.5 | Low | 68.6 | Low | 80 Ų | 80 | 95.3 Ų | 95.3 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -34.1 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | F30 I31 G37 | F30-S34 VanDerWaalsContact O-CB 3.24Å; F30-S34 WeakPolarHBondContact O-CB 3.43Å; F30-S34 PolarHBondContact O-N 3.5Å; F30-S34 PolarHBondContact O-OG 2.93Å; I31-S34 PolarHBondContact O-N 2.98Å; S34-G37 PolarHBondContact O-N 2.92Å |
| 35 | Y | 53.1 | Low | 69 | Low | 202 Ų | 202 | 93.2 Ų | 93.2 | 79% | 0.792 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.8 | -35.5 | 176.5 | -145.9 | -95.5 | 0 | 0 | 0 | 112.4 | I31 H32 L33 G37 | I31-Y35 WeakPolarHBondContact O-CB 3.39Å; I31-Y35 PolarHBondContact O-N 3.2Å; H32-Y35 PolarHBondContact O-N 2.94Å; L33-Y35 VanDerWaalsContact C-N 3.31Å; Y35-G37 VanDerWaalsContact C-N 3.33Å |
| 36 | I | 53.8 | Low | 69.5 | Low | 107 Ų | 107 | 88.4 Ų | 88.4 | 55% | 0.549 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74 | -25.8 | 174.7 | -67.1 | 166.1 | 0 | 0 | 0 | 111.6 | H32 L33 | H32-I36 VanDerWaalsContact ND1-CD1 3.25Å; H32-I36 WeakPolarHBondContact ND1-CD1 3.45Å; H32-I36 WeakPolarHBondContact O-CD1 3.28Å; H32-I36 VanDerWaalsContact O-CG1 3.29Å; H32-I36 WeakPolarHBondContact O-CG1 3.41Å; H32-I36 PolarHBondContact O-N 3.31Å; H32-I36 VanDerWaalsContact O-N 3.08Å; L33-I36 PolarHBondContact O-N 3.49Å |
| 37 | G | 46.2 | Very low | 70 | Confident | 62 Ų | 62 | 89.4 Ų | 89.4 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L33 S34 Y35 N39 | L33-G37 PolarHBondContact O-N 3.35Å; S34-G37 PolarHBondContact O-N 2.92Å; Y35-G37 VanDerWaalsContact C-N 3.33Å; G37-N39 VanDerWaalsContact C-N 3.34Å; G37-N39 PolarHBondContact O-N 3.3Å |
| 38 | C | 48.2 | Very low | 70.6 | Confident | 71 Ų | 71 | 86.5 Ų | 86.5 | 48% | 0.48 | 46% | 0.461 | S | S | . | . | trans | -90.4 | 50.5 | -176.9 | -91.4 | 0 | 0 | 0 | 0 | 113.7 | A40 C310 | C38-A40 VanDerWaalsContact C-N 3.26Å; C38-A40 PolarHBondContact O-N 3.18Å; C38-C310 PolarHBondContact SG-SG 3.02Å | ||
| 39 | N | 56.6 | Low | 71.2 | Confident | 102 Ų | 102 | 84.3 Ų | 84.3 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | trans | -80.9 | 81.3 | 162.2 | -76.1 | -42.1 | 0 | 0 | 0 | 108.5 | G37 F41 | G37-N39 VanDerWaalsContact C-N 3.34Å; G37-N39 PolarHBondContact O-N 3.3Å; N39-F41 PolarHBondContact O-N 3.02Å | ||
| 40 | A | 66.6 | Low | 72 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | trans | -61.3 | 120.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | C38 | C38-A40 VanDerWaalsContact C-N 3.26Å; C38-A40 PolarHBondContact O-N 3.18Å | ||
| 41 | F | 79.9 | Confident | 73 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 53% | 0.531 | 41% | 0.414 | S | S | . | . | trans | -62.8 | 136.4 | 174.5 | -53.3 | -54.8 | 0 | 0 | 0 | 109.6 | N39 K68 | N39-F41 PolarHBondContact O-N 3.02Å; F41-K68 HydrophobicContact CD1-CB 3.45Å; F41-K68 VanDerWaalsContact CD1-CB 3.45Å; F41-K68 HydrophobicContact CD1-CD 4.17Å; F41-K68 HydrophobicContact CD1-CG 4.44Å; F41-K68 HydrophobicContact CE1-CB 3.5Å; F41-K68 HydrophobicContact CE1-CD 3.34Å; F41-K68 HydrophobicContact CE1-CG 4.02Å; F41-K68 HydrophobicContact CE2-CD 4.08Å; F41-K68 HydrophobicContact CG-CB 4.02Å; F41-K68 HydrophobicContact CZ-CB 4.1Å; F41-K68 HydrophobicContact CZ-CD 3.28Å; F41-K68 HydrophobicContact CZ-CG 4.35Å | ||
| 42 | Q | 85.1 | Confident | 74.1 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | trans | -107.6 | 137.7 | -176.2 | -170.5 | 166.5 | 15.8 | 0 | 0 | 110.6 | D69 E70 | Q42-D69 PolarHBondContact N-OD1 3.24Å; Q42-D69 CarbonylContact O-C 3.57Å; Q42-D69 VanDerWaalsContact O-CA 3.3Å; Q42-D69 WeakPolarHBondContact O-CA 3.18Å; Q42-D69 WeakPolarHBondContact O-CB 3.41Å; Q42-E70 PolarHBondContact O-N 2.97Å | ||
| 43 | S | 86.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.5 | 169.4 | -51.7 | 0 | 0 | 0 | 0 | 109.5 | E70 | S43-E70 CarbonylContact C-O 3.5Å; S43-E70 WeakPolarHBondContact CA-O 3.18Å; S43-E70 PolarHBondContact OG-OE2 3.48Å |
| 44 | H | 89.7 | Confident | 76.9 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.019 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 108.7 | -179.7 | -58.3 | -84.8 | 0 | 0 | 0 | 111.2 | L63 D69 E70 I71 I72 W267 | H44-L63 HydrophobicContact CB-CD2 3.9Å; H44-D69 IonicContact CD2-OD2 3.81Å; H44-D69 IonicContact CE1-OD2 3.99Å; H44-D69 IonicContact NE2-OD2 2.95Å; H44-D69 PolarHBondContact NE2-OD2 2.87Å; H44-E70 PolarHBondContact N-O 3.47Å; H44-I71 CarbonylContact O-C 3.58Å; H44-I72 PolarHBondContact O-N 2.53Å; H44-W267 HydrophobicContact CB-CH2 4.2Å; H44-W267 HydrophobicContact CB-CZ2 3.74Å; H44-W267 AromaticContact ND1-CE2 3.99Å; H44-W267 AromaticContact ND1-CH2 3.55Å; H44-W267 AromaticContact ND1-CZ2 3.6Å; H44-W267 AromaticContact ND1-CZ3 3.94Å |
| 45 | L | 89.7 | Confident | 78.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.5 | 178 | -163.4 | 67.7 | 0 | 0 | 0 | 111.6 | Y47 I72 V74 | L45-Y47 HydrophobicContact CD2-CE2 3.64Å; L45-Y47 WeakPolarHBondContact CD2-OH 3.38Å; L45-Y47 HydrophobicContact CG-CE2 4.19Å; L45-I72 HydrophobicContact CD1-CB 3.79Å; L45-I72 HydrophobicContact CD1-CG2 3.69Å; L45-V74 HydrophobicContact CD1-CG2 3.47Å; L45-V74 VanDerWaalsContact CD1-CG2 3.47Å; L45-V74 HydrophobicContact CG-CG2 4.25Å |
| 46 | I | 90.9 | Very high | 80.1 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 108.9 | 176.6 | -58.2 | 165.2 | 0 | 0 | 0 | 108.6 | W48 I54 F55 L63 I71 I72 F73 V74 L244 I246 | I46-W48 HydrophobicContact CG2-CE3 4.04Å; I46-W48 PolarHBondContact O-N 3.42Å; I46-I54 HydrophobicContact CG2-CD1 4.09Å; I46-F55 HydrophobicContact CG2-CZ 4.49Å; I46-L63 HydrophobicContact CD1-CD2 4.4Å; I46-I71 HydrophobicContact CD1-CG2 3.5Å; I46-I71 VanDerWaalsContact CD1-CG2 3.5Å; I46-I71 HydrophobicContact CG1-CG2 4.46Å; I46-I72 PolarHBondContact N-O 3.19Å; I46-F73 HydrophobicContact CB-CD1 4.09Å; I46-F73 HydrophobicContact CB-CE1 4.34Å; I46-F73 HydrophobicContact CD1-CD1 4.26Å; I46-F73 HydrophobicContact CD1-CE1 3.74Å; I46-F73 HydrophobicContact CD1-CZ 3.98Å; I46-F73 HydrophobicContact CG2-CD1 4.09Å; I46-F73 HydrophobicContact CG2-CE1 4.2Å; I46-F73 CarbonylContact O-C 3.57Å; I46-F73 WeakPolarHBondContact O-CA 3.5Å; I46-V74 PolarHBondContact O-N 2.95Å; I46-L244 HydrophobicContact CD1-CD2 3.45Å; I46-L244 VanDerWaalsContact CD1-CD2 3.45Å; I46-L244 HydrophobicContact CG1-CD2 4.32Å; I46-L244 HydrophobicContact CG2-CD2 4.5Å; I46-I246 HydrophobicContact CD1-CD1 4.22Å |
| 47 | Y | 90.7 | Very high | 81.3 | Confident | 93 Ų | 93 | 55 Ų | 55 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 107.9 | 168.2 | -64.6 | -85.2 | 0 | 0 | 0 | 109 | L45 D49 N52 V74 | L45-Y47 HydrophobicContact CD2-CE2 3.64Å; L45-Y47 WeakPolarHBondContact CD2-OH 3.38Å; L45-Y47 HydrophobicContact CG-CE2 4.19Å; Y47-D49 PolarHBondContact O-N 3.17Å; Y47-N52 PolarHBondContact O-ND2 3.18Å; Y47-V74 HydrophobicContact CD1-CB 3.93Å; Y47-V74 HydrophobicContact CD1-CG1 3.94Å; Y47-V74 HydrophobicContact CE1-CB 4.25Å; Y47-V74 HydrophobicContact CE1-CG1 4.05Å |
| 48 | W | 91.6 | Very high | 83 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 73.1 | 179 | -157.6 | -101.8 | 0 | 0 | 0 | 109.4 | I46 F55 F73 V74 Y81 I82 F230 A232 M242 | I46-W48 HydrophobicContact CG2-CE3 4.04Å; I46-W48 PolarHBondContact O-N 3.42Å; W48-F55 AromaticContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CZ3-CE1 4.25Å; W48-F55 AromaticContact CZ3-CZ 3.9Å; W48-F55 HydrophobicContact CZ3-CZ 3.9Å; W48-F73 HydrophobicContact CD2-CD1 4.34Å; W48-F73 AromaticContact CE3-CD1 3.7Å; W48-F73 HydrophobicContact CE3-CD1 3.7Å; W48-F73 AromaticContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CZ3-CD1 4.21Å; W48-F73 AromaticContact CZ3-CE1 3.76Å; W48-F73 HydrophobicContact CZ3-CE1 3.76Å; W48-V74 PolarHBondContact N-O 2.98Å; W48-Y81 PolarHBondContact NE1-O 3.08Å; W48-I82 HydrophobicContact CB-CD1 4.32Å; W48-I82 HydrophobicContact CD2-CD1 4.31Å; W48-I82 HydrophobicContact CD2-CG1 3.99Å; W48-I82 HydrophobicContact CG-CD1 4.01Å; W48-I82 HydrophobicContact CG-CG1 3.83Å; W48-I82 HydrophobicContact CZ2-CG2 4.23Å; W48-F230 HydrophobicContact CH2-CB 3.82Å; W48-F230 HydrophobicContact CZ3-CB 4.26Å; W48-A232 HydrophobicContact CZ2-CB 4.42Å; W48-M242 HydrophobicContact CB-CE 4.08Å; W48-M242 HydrophobicContact CD2-CE 3.68Å; W48-M242 HydrophobicContact CG-CE 3.41Å; W48-M242 VanDerWaalsContact CG-CE 3.41Å; W48-M242 WeakPolarHBondContact O-CE 3.34Å |
| 49 | D | 89.7 | Confident | 84.5 | Confident | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | trans | -132.3 | 128.6 | -178.5 | -166.3 | -32.9 | 0 | 0 | 0 | 109.7 | Y47 D51 N52 F55 A76 M242 | Y47-D49 PolarHBondContact O-N 3.17Å; D49-D51 PolarHBondContact O-N 2.95Å; D49-D51 PolarHBondContact OD1-N 3.45Å; D49-N52 HydrophobicContact CB-CB 4.25Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 3.45Å; D49-F55 WeakPolarHBondContact O-CD2 3.4Å; D49-F55 WeakPolarHBondContact O-CE2 3.16Å; D49-A76 HydrophobicContact CB-CB 3.85Å; D49-A76 WeakPolarHBondContact OD2-CB 3.49Å; D49-M242 VanDerWaalsContact N-CE 3.26Å | ||
| 50 | P | 89.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.2 | 175.9 | -18.9 | 29.4 | 0 | 0 | 0 | 114.7 | N52 Q77 I80 V236 R240 M242 | P50-N52 VanDerWaalsContact C-N 3.33Å; P50-Q77 VanDerWaalsContact CG-OE1 3.27Å; P50-I80 HydrophobicContact CG-CD1 3.8Å; P50-V236 HydrophobicContact CB-CG1 4.27Å; P50-V236 HydrophobicContact CG-CG1 3.74Å; P50-R240 HydrophobicContact CB-CB 3.72Å; P50-R240 HydrophobicContact CB-CG 3.69Å; P50-M242 HydrophobicContact CB-SD 4.36Å; P50-M242 HydrophobicContact CG-CE 4.44Å; P50-M242 HydrophobicContact CG-SD 3.76Å |
| 51 | D | 88.8 | Confident | 86.7 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 51% | 0.508 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -2.3 | 176.7 | -63 | -36 | 0 | 0 | 0 | 112.4 | D49 I53 Q56 R240 | D49-D51 PolarHBondContact O-N 2.95Å; D49-D51 PolarHBondContact OD1-N 3.45Å; D51-I53 PolarHBondContact O-N 2.9Å; D51-Q56 PolarHBondContact O-NE2 2.91Å; D51-Q56 VanDerWaalsContact O-NE2 3.08Å; D51-R240 IonicContact OD1-CZ 3.66Å; D51-R240 IonicContact OD1-NH1 2.74Å; D51-R240 PolarHBondContact OD1-NH1 3.48Å; D51-R240 IonicContact OD1-NH2 3.89Å |
| 52 | N | 88.2 | Confident | 87.2 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -67.6 | 128.7 | 173.8 | -172.9 | -12.1 | 0 | 0 | 0 | 110.7 | Y47 D49 P50 I54 F55 | Y47-N52 PolarHBondContact O-ND2 3.18Å; D49-N52 HydrophobicContact CB-CB 4.25Å; D49-N52 WeakPolarHBondContact O-CB 3.35Å; D49-N52 PolarHBondContact O-N 3.45Å; P50-N52 VanDerWaalsContact C-N 3.33Å; N52-I54 HydrophobicContact CB-CG1 4.26Å; N52-I54 WeakPolarHBondContact ND2-CD1 3.45Å; N52-I54 PolarHBondContact O-N 3.07Å; N52-I54 PolarHBondContact OD1-N 2.67Å; N52-F55 HydrophobicContact CB-CD2 3.98Å; N52-F55 HydrophobicContact CB-CE2 4.17Å; N52-F55 PolarHBondContact O-N 2.87Å |
| 53 | I | 88.4 | Confident | 87.4 | Confident | 86 Ų | 86 | 46.5 Ų | 46.5 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54 | -29.5 | -177.2 | -164.5 | 163.7 | 0 | 0 | 0 | 113.2 | D51 F55 Q56 T57 | D51-I53 PolarHBondContact O-N 2.9Å; I53-F55 PolarHBondContact O-N 2.78Å; I53-Q56 PolarHBondContact O-N 2.85Å; I53-T57 PolarHBondContact O-N 2.96Å |
| 54 | I | 86.6 | Confident | 87.6 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -31.9 | 179.2 | 70.1 | 179.4 | 0 | 0 | 0 | 112.8 | I46 N52 T57 F263 | I46-I54 HydrophobicContact CG2-CD1 4.09Å; N52-I54 HydrophobicContact CB-CG1 4.26Å; N52-I54 WeakPolarHBondContact ND2-CD1 3.45Å; N52-I54 PolarHBondContact O-N 3.07Å; N52-I54 PolarHBondContact OD1-N 2.67Å; I54-T57 PolarHBondContact O-OG1 3.24Å; I54-F263 HydrophobicContact CB-CE1 3.96Å; I54-F263 HydrophobicContact CB-CZ 3.66Å; I54-F263 HydrophobicContact CG2-CE1 3.84Å; I54-F263 HydrophobicContact CG2-CZ 3.91Å |
| 55 | F | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -88.5 | -17.5 | -179.8 | -57.2 | -57.1 | 0 | 0 | 0 | 112.8 | I46 W48 D49 N52 I53 T57 P61 N241 M242 L244 | I46-F55 HydrophobicContact CG2-CZ 4.49Å; W48-F55 AromaticContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CE3-CZ 3.82Å; W48-F55 HydrophobicContact CZ3-CE1 4.25Å; W48-F55 AromaticContact CZ3-CZ 3.9Å; W48-F55 HydrophobicContact CZ3-CZ 3.9Å; D49-F55 WeakPolarHBondContact O-CD2 3.4Å; D49-F55 WeakPolarHBondContact O-CE2 3.16Å; N52-F55 HydrophobicContact CB-CD2 3.98Å; N52-F55 HydrophobicContact CB-CE2 4.17Å; N52-F55 PolarHBondContact O-N 2.87Å; I53-F55 PolarHBondContact O-N 2.78Å; F55-T57 VanDerWaalsContact C-N 3.3Å; F55-P61 HydrophobicContact CD1-CG 4.42Å; F55-N241 WeakPolarHBondContact O-CB 3.48Å; F55-N241 PolarHBondContact O-ND2 3.19Å; F55-N241 VanDerWaalsContact O-ND2 3.08Å; F55-M242 HydrophobicContact CD1-CG 4.34Å; F55-M242 HydrophobicContact CD2-CG 3.98Å; F55-M242 HydrophobicContact CE1-CG 4.35Å; F55-M242 HydrophobicContact CE2-CE 4.02Å; F55-M242 HydrophobicContact CE2-CG 3.99Å; F55-M242 HydrophobicContact CG-CB 4.47Å; F55-M242 HydrophobicContact CG-CG 4.16Å; F55-M242 HydrophobicContact CZ-CE 4.49Å; F55-M242 HydrophobicContact CZ-CG 4.17Å; F55-L244 HydrophobicContact CE1-CB 4.42Å |
| 56 | Q | 85.9 | Confident | 87.7 | Confident | 122 Ų | 122 | 49.8 Ų | 49.8 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -79.2 | -17.8 | 175.8 | -58.7 | 178.3 | 16.1 | 0 | 0 | 112.1 | D51 I53 | D51-Q56 PolarHBondContact O-NE2 2.91Å; D51-Q56 VanDerWaalsContact O-NE2 3.08Å; I53-Q56 PolarHBondContact O-N 2.85Å |
| 57 | T | 79.5 | Confident | 87.6 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76 | 146.2 | 177.3 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | I53 I54 F55 N241 | I53-T57 PolarHBondContact O-N 2.96Å; I54-T57 PolarHBondContact O-OG1 3.24Å; F55-T57 VanDerWaalsContact C-N 3.3Å; T57-N241 PolarHBondContact O-ND2 3.01Å |
| 58 | K | 80.9 | Confident | 87.4 | Confident | 184 Ų | 184 | 54.4 Ų | 54.4 | 80% | 0.8 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -121.8 | 135.8 | 165.6 | -67.5 | -175.7 | -179.5 | 179.9 | 0 | 108.1 | ||
| 59 | P | 81.1 | Confident | 87.3 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | S | Bend | cis | -68.2 | 170.7 | 1.1 | 30.7 | -36.8 | 0 | 0 | 0 | 113.4 | ||
| 60 | V | 83.8 | Confident | 87.3 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 138.2 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | L62 F91 R243 | V60-L62 PolarHBondContact O-N 2.84Å; V60-F91 HydrophobicContact CB-CZ 4.27Å; V60-F91 HydrophobicContact CG1-CE1 4.22Å; V60-F91 HydrophobicContact CG1-CE2 4.15Å; V60-F91 HydrophobicContact CG1-CZ 3.44Å; V60-F91 VanDerWaalsContact CG1-CZ 3.44Å; V60-R243 HydrophobicContact CG1-CG 3.78Å; V60-R243 WeakPolarHBondContact CG1-O 3.47Å; V60-R243 HydrophobicContact CG2-CG 4.39Å |
| 61 | P | 85.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 139.9 | -179.3 | 24.7 | -38.8 | 0 | 0 | 0 | 112.9 | F55 R243 L244 G245 F263 | F55-P61 HydrophobicContact CD1-CG 4.42Å; P61-R243 VanDerWaalsContact CG-O 3.3Å; P61-R243 WeakPolarHBondContact CG-O 3.4Å; P61-L244 HydrophobicContact CB-CD1 3.51Å; P61-L244 HydrophobicContact CG-CB 4.23Å; P61-L244 HydrophobicContact CG-CD1 3.73Å; P61-L244 WeakPolarHBondContact O-CD1 3.25Å; P61-G245 PolarHBondContact O-N 3.39Å; P61-F263 HydrophobicContact CB-CD1 4.19Å; P61-F263 HydrophobicContact CB-CD2 3.79Å; P61-F263 HydrophobicContact CB-CE1 3.73Å; P61-F263 HydrophobicContact CB-CE2 3.31Å; P61-F263 HydrophobicContact CB-CG 4.23Å; P61-F263 HydrophobicContact CB-CZ 3.3Å; P61-F263 HydrophobicContact CG-CE2 4.45Å; P61-F263 HydrophobicContact CG-CZ 4.32Å |
| 62 | L | 88.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113.3 | 171.2 | -176.8 | 68.9 | 0 | 0 | 0 | 109 | V60 G245 V247 F251 V260 | V60-L62 PolarHBondContact O-N 2.84Å; L62-G245 CarbonylContact C-O 3.58Å; L62-G245 WeakPolarHBondContact CA-O 3.5Å; L62-V247 HydrophobicContact CD1-CG1 4.13Å; L62-V247 HydrophobicContact CD2-CG1 4.39Å; L62-V247 HydrophobicContact CG-CG1 4.3Å; L62-F251 HydrophobicContact CD2-CD1 4.07Å; L62-V260 HydrophobicContact CD2-CG1 3.99Å |
| 63 | L | 90.5 | Very high | 87.7 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.9 | 177.1 | -178.2 | 66.1 | 0 | 0 | 0 | 110.1 | H44 I46 V65 L244 G245 I246 V247 | H44-L63 HydrophobicContact CB-CD2 3.9Å; I46-L63 HydrophobicContact CD1-CD2 4.4Å; L63-V65 HydrophobicContact CD2-CG1 3.97Å; L63-V65 HydrophobicContact CG-CG1 3.97Å; L63-L244 HydrophobicContact CB-CD1 4.28Å; L63-G245 PolarHBondContact N-O 2.97Å; L63-I246 HydrophobicContact CB-CG1 4.2Å; L63-I246 HydrophobicContact CB-CG2 4.5Å; L63-I246 HydrophobicContact CD2-CD1 4.33Å; L63-I246 CarbonylContact O-C 3.46Å; L63-I246 VanDerWaalsContact O-CA 3.29Å; L63-I246 WeakPolarHBondContact O-CA 3.29Å; L63-V247 PolarHBondContact O-N 3.49Å |
| 64 | R | 90.7 | Very high | 87.7 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.5 | 172.9 | -68.1 | 172.4 | 176.6 | -110.4 | 8.7 | 109.1 | V247 G249 D250 | R64-V247 WeakPolarHBondContact CA-O 3.42Å; R64-V247 HydrophobicContact CG-CG1 4.06Å; R64-G249 PolarHBondContact NH1-O 2.94Å; R64-D250 IonicContact CZ-OD1 3.94Å; R64-D250 IonicContact NH1-OD1 2.74Å; R64-D250 PolarHBondContact NH1-OD1 3.35Å |
| 65 | V | 90.7 | Very high | 87.9 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 159.2 | -178.7 | -64 | 0 | 0 | 0 | 0 | 110.6 | L63 D69 I71 V210 I246 V247 N248 | L63-V65 HydrophobicContact CD2-CG1 3.97Å; L63-V65 HydrophobicContact CG-CG1 3.97Å; V65-D69 HydrophobicContact CB-CB 4.37Å; V65-I71 HydrophobicContact CG1-CD1 4.24Å; V65-I71 HydrophobicContact CG1-CG1 4.27Å; V65-V210 HydrophobicContact CB-CG1 4.35Å; V65-V210 HydrophobicContact CB-CG2 3.95Å; V65-V210 HydrophobicContact CG1-CG2 4.33Å; V65-V210 HydrophobicContact CG2-CB 4.4Å; V65-V210 HydrophobicContact CG2-CG1 3.7Å; V65-V210 HydrophobicContact CG2-CG2 3.79Å; V65-I246 HydrophobicContact CB-CG2 4.42Å; V65-I246 HydrophobicContact CG1-CG2 3.76Å; V65-I246 HydrophobicContact CG2-CG2 3.73Å; V65-V247 WeakPolarHBondContact CG2-O 3.38Å; V65-V247 PolarHBondContact N-O 2.95Å; V65-N248 HydrophobicContact CG2-CB 4.39Å; V65-N248 WeakPolarHBondContact O-CA 3.41Å |
| 66 | K | 89.6 | Confident | 87.3 | Confident | 121 Ų | 121 | 51 Ų | 51 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | trans | -110 | 159.3 | 171.6 | -67 | -179.3 | 179.7 | -179.9 | 0 | 110.2 | K68 D69 V210 | K66-K68 PolarHBondContact O-N 2.84Å; K66-D69 PolarHBondContact N-OD2 3.39Å; K66-D69 VanDerWaalsContact O-CB 3.27Å; K66-D69 WeakPolarHBondContact O-CB 3.3Å; K66-D69 PolarHBondContact O-N 2.83Å; K66-D69 VanDerWaalsContact O-N 3.09Å; K66-V210 WeakPolarHBondContact O-CG1 3.14Å | ||
| 67 | P | 88.2 | Confident | 86.9 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137.9 | 172.3 | -25.5 | 35 | 0 | 0 | 0 | 111.2 | D69 | P67-D69 PolarHBondContact O-N 2.92Š|
| 68 | K | 87.2 | Confident | 87 | Confident | 120 Ų | 120 | 50.9 Ų | 50.9 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 4.3 | -176.8 | -52.2 | 168 | 173.4 | -179.9 | 0 | 115.9 | F41 K66 L209 V210 | F41-K68 HydrophobicContact CD1-CB 3.45Å; F41-K68 VanDerWaalsContact CD1-CB 3.45Å; F41-K68 HydrophobicContact CD1-CD 4.17Å; F41-K68 HydrophobicContact CD1-CG 4.44Å; F41-K68 HydrophobicContact CE1-CB 3.5Å; F41-K68 HydrophobicContact CE1-CD 3.34Å; F41-K68 HydrophobicContact CE1-CG 4.02Å; F41-K68 HydrophobicContact CE2-CD 4.08Å; F41-K68 HydrophobicContact CG-CB 4.02Å; F41-K68 HydrophobicContact CZ-CB 4.1Å; F41-K68 HydrophobicContact CZ-CD 3.28Å; F41-K68 HydrophobicContact CZ-CG 4.35Å; K66-K68 PolarHBondContact O-N 2.84Å; K68-L209 WeakPolarHBondContact O-CD1 3.17Å; K68-V210 PolarHBondContact N-O 2.81Å |
| 69 | D | 90.5 | Very high | 87 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | trans | -61.5 | 149.4 | 164.3 | -77.2 | -5.3 | 0 | 0 | 0 | 110.3 | Q42 H44 V65 K66 P67 V210 | Q42-D69 PolarHBondContact N-OD1 3.24Å; Q42-D69 CarbonylContact O-C 3.57Å; Q42-D69 VanDerWaalsContact O-CA 3.3Å; Q42-D69 WeakPolarHBondContact O-CA 3.18Å; Q42-D69 WeakPolarHBondContact O-CB 3.41Å; H44-D69 IonicContact CD2-OD2 3.81Å; H44-D69 IonicContact CE1-OD2 3.99Å; H44-D69 IonicContact NE2-OD2 2.95Å; H44-D69 PolarHBondContact NE2-OD2 2.87Å; V65-D69 HydrophobicContact CB-CB 4.37Å; K66-D69 PolarHBondContact N-OD2 3.39Å; K66-D69 VanDerWaalsContact O-CB 3.27Å; K66-D69 WeakPolarHBondContact O-CB 3.3Å; K66-D69 PolarHBondContact O-N 2.83Å; K66-D69 VanDerWaalsContact O-N 3.09Å; P67-D69 PolarHBondContact O-N 2.92Å; D69-V210 HydrophobicContact CB-CB 4.38Å; D69-V210 HydrophobicContact CB-CG2 4.09Å; D69-V210 WeakPolarHBondContact O-CB 3.45Å; D69-V210 WeakPolarHBondContact O-CG2 3.04Å; D69-V210 PolarHBondContact O-N 2.91Å | ||
| 70 | E | 89.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130 | 176 | -65.3 | 178.3 | 159.3 | 0 | 0 | 109.4 | Q42 S43 H44 T207 L209 | Q42-E70 PolarHBondContact O-N 2.97Å; S43-E70 CarbonylContact C-O 3.5Å; S43-E70 WeakPolarHBondContact CA-O 3.18Å; S43-E70 PolarHBondContact OG-OE2 3.48Å; H44-E70 PolarHBondContact N-O 3.47Å; E70-T207 HydrophobicContact CB-CG2 4.04Å; E70-T207 HydrophobicContact CG-CG2 4.32Å; E70-L209 HydrophobicContact CG-CD1 4.05Å |
| 71 | I | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.6 | 173.2 | -57.7 | 156.9 | 0 | 0 | 0 | 107.9 | H44 I46 V65 F73 T207 L208 V210 F222 I246 | H44-I71 CarbonylContact O-C 3.58Å; I46-I71 HydrophobicContact CD1-CG2 3.5Å; I46-I71 VanDerWaalsContact CD1-CG2 3.5Å; I46-I71 HydrophobicContact CG1-CG2 4.46Å; V65-I71 HydrophobicContact CG1-CD1 4.24Å; V65-I71 HydrophobicContact CG1-CG1 4.27Å; I71-F73 HydrophobicContact CG2-CD2 4.18Å; I71-F73 HydrophobicContact CG2-CE2 3.63Å; I71-F73 HydrophobicContact CG2-CZ 3.95Å; I71-T207 CarbonylContact O-C 3.55Å; I71-T207 WeakPolarHBondContact O-CA 3.21Å; I71-L208 HydrophobicContact CB-CB 4.28Å; I71-L208 HydrophobicContact CD1-CD2 4.34Å; I71-L208 PolarHBondContact N-O 3.09Å; I71-L208 PolarHBondContact O-N 3.38Å; I71-V210 HydrophobicContact CD1-CG2 3.5Å; I71-V210 HydrophobicContact CG1-CG2 3.95Å; I71-F222 HydrophobicContact CD1-CE1 4.22Å; I71-F222 HydrophobicContact CD1-CE2 4.42Å; I71-F222 HydrophobicContact CD1-CZ 3.8Å; I71-I246 HydrophobicContact CD1-CD1 3.81Å; I71-I246 HydrophobicContact CD1-CG2 3.93Å; I71-I246 HydrophobicContact CG2-CD1 4.07Å |
| 72 | I | 90.6 | Very high | 88 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.8 | -174.4 | -53 | 173.7 | 0 | 0 | 0 | 108.8 | H44 L45 I46 V74 Q205 F206 T207 | H44-I72 PolarHBondContact O-N 2.53Å; L45-I72 HydrophobicContact CD1-CB 3.79Å; L45-I72 HydrophobicContact CD1-CG2 3.69Å; I46-I72 PolarHBondContact N-O 3.19Å; I72-V74 HydrophobicContact CG2-CG2 4.28Å; I72-Q205 HydrophobicContact CG2-CB 4.47Å; I72-F206 CarbonylContact C-O 3.56Å; I72-F206 WeakPolarHBondContact CA-O 3.11Å; I72-T207 HydrophobicContact CG1-CG2 4.07Å |
| 73 | F | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.3 | 171.5 | -66.8 | -86.9 | 0 | 0 | 0 | 110.2 | I46 W48 I71 I82 L107 Q205 F206 L208 F230 I246 | I46-F73 HydrophobicContact CB-CD1 4.09Å; I46-F73 HydrophobicContact CB-CE1 4.34Å; I46-F73 HydrophobicContact CD1-CD1 4.26Å; I46-F73 HydrophobicContact CD1-CE1 3.74Å; I46-F73 HydrophobicContact CD1-CZ 3.98Å; I46-F73 HydrophobicContact CG2-CD1 4.09Å; I46-F73 HydrophobicContact CG2-CE1 4.2Å; I46-F73 CarbonylContact O-C 3.57Å; I46-F73 WeakPolarHBondContact O-CA 3.5Å; W48-F73 HydrophobicContact CD2-CD1 4.34Å; W48-F73 AromaticContact CE3-CD1 3.7Å; W48-F73 HydrophobicContact CE3-CD1 3.7Å; W48-F73 AromaticContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CE3-CE1 3.73Å; W48-F73 HydrophobicContact CZ3-CD1 4.21Å; W48-F73 AromaticContact CZ3-CE1 3.76Å; W48-F73 HydrophobicContact CZ3-CE1 3.76Å; I71-F73 HydrophobicContact CG2-CD2 4.18Å; I71-F73 HydrophobicContact CG2-CE2 3.63Å; I71-F73 HydrophobicContact CG2-CZ 3.95Å; F73-I82 HydrophobicContact CB-CD1 3.6Å; F73-I82 HydrophobicContact CD1-CD1 3.96Å; F73-I82 HydrophobicContact CD1-CG2 4.37Å; F73-I82 HydrophobicContact CE1-CG2 4.31Å; F73-I82 HydrophobicContact CG-CD1 3.84Å; F73-L107 HydrophobicContact CD2-CD2 4.19Å; F73-L107 HydrophobicContact CE2-CD2 3.99Å; F73-Q205 CarbonylContact O-C 3.53Å; F73-Q205 VanDerWaalsContact O-CA 3.23Å; F73-Q205 WeakPolarHBondContact O-CA 3.14Å; F73-F206 HydrophobicContact CD2-CD1 4.27Å; F73-F206 PolarHBondContact N-O 2.89Å; F73-F206 PolarHBondContact O-N 2.84Å; F73-L208 HydrophobicContact CE2-CD2 4.44Å; F73-F230 HydrophobicContact CE1-CD1 4.47Å; F73-F230 HydrophobicContact CE2-CD1 4.46Å; F73-F230 HydrophobicContact CE2-CE1 4.22Å; F73-F230 AromaticContact CZ-CD1 3.79Å; F73-F230 HydrophobicContact CZ-CD1 3.79Å; F73-F230 AromaticContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CG 4.14Å; F73-F230 HydrophobicContact CZ-CZ 4.37Å; F73-I246 HydrophobicContact CZ-CD1 4.4Å |
| 74 | V | 89.8 | Confident | 88.5 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.5 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | L45 I46 Y47 W48 I72 A76 S204 | L45-V74 HydrophobicContact CD1-CG2 3.47Å; L45-V74 VanDerWaalsContact CD1-CG2 3.47Å; L45-V74 HydrophobicContact CG-CG2 4.25Å; I46-V74 PolarHBondContact O-N 2.95Å; Y47-V74 HydrophobicContact CD1-CB 3.93Å; Y47-V74 HydrophobicContact CD1-CG1 3.94Å; Y47-V74 HydrophobicContact CE1-CB 4.25Å; Y47-V74 HydrophobicContact CE1-CG1 4.05Å; W48-V74 PolarHBondContact N-O 2.98Å; I72-V74 HydrophobicContact CG2-CG2 4.28Å; V74-A76 PolarHBondContact O-N 3.38Å; V74-S204 CarbonylContact C-O 3.58Å; V74-S204 WeakPolarHBondContact CA-O 3.25Å |
| 75 | C | 89.5 | Confident | 88.6 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 109 | 174.1 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | C110 S204 | C75-C110 HydrophobicContact CB-CB 3.55Å; C75-C110 WeakPolarHBondContact CB-SG 3.31Å; C75-C110 WeakPolarHBondContact SG-CA 3.45Å; C75-C110 WeakPolarHBondContact SG-CB 3.17Å; C75-C110 CovalentContact SG-SG 2.03Å; C75-C110 PolarHBondContact SG-SG 2.85Å; C75-S204 PolarHBondContact N-O 2.79Å |
| 76 | A | 78.5 | Confident | 88.7 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | trans | -88.8 | -39.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D49 V74 | D49-A76 HydrophobicContact CB-CB 3.85Å; D49-A76 WeakPolarHBondContact OD2-CB 3.49Å; V74-A76 PolarHBondContact O-N 3.38Å | ||
| 77 | Q | 76.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 40.4 Ų | 40.4 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -99.3 | 150.5 | 178.5 | -165.3 | 167.2 | 22.7 | 0 | 0 | 112.1 | P50 I80 C110 | P50-Q77 VanDerWaalsContact CG-OE1 3.27Å; Q77-I80 HydrophobicContact CB-CD1 3.71Å; Q77-I80 HydrophobicContact CB-CG1 4.28Å; Q77-I80 HydrophobicContact CG-CD1 4.03Å; Q77-I80 HydrophobicContact CG-CG1 4.39Å; Q77-C110 WeakPolarHBondContact O-CB 3.32Å |
| 78 | E | 80.5 | Confident | 88.9 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 153.7 | -179.4 | -65.5 | 170.6 | -121.7 | 0 | 0 | 111.9 | I80 K113 | E78-I80 PolarHBondContact O-N 2.9Å; E78-K113 VanDerWaalsContact CD-CB 3.48Å; E78-K113 HydrophobicContact CG-CB 4.32Å; E78-K113 HydrophobicContact CG-CD 4.36Å; E78-K113 HydrophobicContact CG-CG 3.79Å; E78-K113 WeakPolarHBondContact OE1-CD 3.46Å; E78-K113 WeakPolarHBondContact OE1-CE 3.29Å; E78-K113 WeakPolarHBondContact OE1-CG 3.24Å; E78-K113 IonicContact OE1-NZ 2.67Å; E78-K113 PolarHBondContact OE1-NZ 3.05Å; E78-K113 VanDerWaalsContact OE2-CB 3.25Å; E78-K113 WeakPolarHBondContact OE2-CB 3.33Å; E78-K113 PolarHBondContact OE2-N 3.41Å |
| 79 | S | 81 | Confident | 89 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 36% | 0.357 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 15.1 | 169.2 | -41.8 | 0 | 0 | 0 | 0 | 116.2 | C110 D112 | S79-C110 PolarHBondContact N-O 2.91Å; S79-D112 WeakPolarHBondContact CA-OD1 3.33Å; S79-D112 WeakPolarHBondContact CB-OD1 3.4Å; S79-D112 PolarHBondContact N-OD1 3.36Å; S79-D112 PolarHBondContact OG-OD1 3.39Å |
| 80 | I | 88.1 | Confident | 89 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -83.2 | 136.8 | 171.9 | -60.9 | -171.1 | 0 | 0 | 0 | 109.9 | P50 Q77 E78 C110 A232 M242 | P50-I80 HydrophobicContact CG-CD1 3.8Å; Q77-I80 HydrophobicContact CB-CD1 3.71Å; Q77-I80 HydrophobicContact CB-CG1 4.28Å; Q77-I80 HydrophobicContact CG-CD1 4.03Å; Q77-I80 HydrophobicContact CG-CG1 4.39Å; E78-I80 PolarHBondContact O-N 2.9Å; I80-C110 WeakPolarHBondContact O-CB 3.5Å; I80-C110 PolarHBondContact O-N 2.67Å; I80-C110 PolarHBondContact O-SG 3.48Å; I80-C110 VanDerWaalsContact O-SG 3.39Å; I80-A232 HydrophobicContact CG2-CB 4.29Å; I80-M242 HydrophobicContact CD1-CE 4.36Å; I80-M242 HydrophobicContact CD1-SD 4.25Å; I80-M242 HydrophobicContact CG2-CE 4.33Å; I80-M242 HydrophobicContact CG2-SD 4.25Å | ||
| 81 | Y | 91.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 37 Ų | 37 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.2 | 170 | -58 | -61.9 | 0 | 0 | 0 | 111.5 | W48 L106 K109 A232 Q233 | W48-Y81 PolarHBondContact NE1-O 3.08Å; Y81-L106 HydrophobicContact CD1-CD1 3.83Å; Y81-L106 HydrophobicContact CG-CD1 4.3Å; Y81-K109 HydrophobicContact CD1-CB 3.76Å; Y81-K109 HydrophobicContact CD1-CD 4.31Å; Y81-K109 HydrophobicContact CD1-CG 3.7Å; Y81-K109 HydrophobicContact CE1-CB 3.77Å; Y81-K109 HydrophobicContact CE1-CD 3.49Å; Y81-K109 VanDerWaalsContact CE1-CD 3.49Å; Y81-K109 HydrophobicContact CE1-CG 3.37Å; Y81-K109 PolarHBondContact OH-NZ 3.27Å; Y81-A232 WeakPolarHBondContact O-CA 3.22Å; Y81-Q233 HydrophobicContact CD2-CB 4.16Å |
| 82 | I | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 107.4 | 163 | -51.8 | -178.9 | 0 | 0 | 0 | 105.7 | W48 F73 L107 L108 F230 | W48-I82 HydrophobicContact CB-CD1 4.32Å; W48-I82 HydrophobicContact CD2-CD1 4.31Å; W48-I82 HydrophobicContact CD2-CG1 3.99Å; W48-I82 HydrophobicContact CG-CD1 4.01Å; W48-I82 HydrophobicContact CG-CG1 3.83Å; W48-I82 HydrophobicContact CZ2-CG2 4.23Å; F73-I82 HydrophobicContact CB-CD1 3.6Å; F73-I82 HydrophobicContact CD1-CD1 3.96Å; F73-I82 HydrophobicContact CD1-CG2 4.37Å; F73-I82 HydrophobicContact CE1-CG2 4.31Å; F73-I82 HydrophobicContact CG-CD1 3.84Å; I82-L107 HydrophobicContact CB-CB 4.28Å; I82-L107 HydrophobicContact CG2-CB 4.13Å; I82-L107 HydrophobicContact CG2-CD2 3.8Å; I82-L107 VanDerWaalsContact O-CB 3.31Å; I82-L107 WeakPolarHBondContact O-CB 3.33Å; I82-L107 PolarHBondContact O-N 3.3Å; I82-L108 HydrophobicContact CB-CB 4.28Å; I82-L108 HydrophobicContact CD1-CB 4.15Å; I82-L108 HydrophobicContact CD1-CD2 3.92Å; I82-L108 HydrophobicContact CG1-CB 4.35Å; I82-L108 PolarHBondContact N-O 3.5Å; I82-L108 PolarHBondContact O-N 3.07Å; I82-F230 HydrophobicContact CG2-CD1 4.19Å |
| 83 | L | 94.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.8 | 177.2 | -52.1 | 174.1 | 0 | 0 | 0 | 109.4 | V104 N105 L106 F230 L231 | L83-V104 HydrophobicContact CB-CB 4.49Å; L83-V104 HydrophobicContact CD1-CG2 4.41Å; L83-N105 CarbonylContact C-O 3.55Å; L83-N105 VanDerWaalsContact CA-O 3.25Å; L83-N105 WeakPolarHBondContact CA-O 3.37Å; L83-L106 HydrophobicContact CD2-CB 4.29Å; L83-L106 HydrophobicContact CD2-CD1 3.76Å; L83-F230 CarbonylContact O-C 3.47Å; L83-F230 VanDerWaalsContact O-CA 3.24Å; L83-F230 WeakPolarHBondContact O-CA 3.4Å; L83-L231 HydrophobicContact CB-CD2 4.2Å; L83-L231 HydrophobicContact CB-CG 4.19Å; L83-L231 WeakPolarHBondContact CB-O 3.39Å; L83-L231 PolarHBondContact N-O 3.01Å; L83-L231 PolarHBondContact O-N 3.35Å |
| 84 | W | 94.9 | Very high | 89.3 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.7 | 176 | 73 | -91.8 | 0 | 0 | 0 | 112.9 | Y86 N105 G218 P220 V228 Y229 F230 | W84-Y86 AromaticContact CH2-CE2 3.95Å; W84-Y86 HydrophobicContact CH2-CE2 3.95Å; W84-Y86 AromaticContact CZ3-CD2 3.85Å; W84-Y86 HydrophobicContact CZ3-CD2 3.85Å; W84-Y86 AromaticContact CZ3-CE2 3.41Å; W84-Y86 HydrophobicContact CZ3-CE2 3.41Å; W84-Y86 VanDerWaalsContact CZ3-CE2 3.41Å; W84-Y86 AromaticContact CZ3-CZ 3.81Å; W84-N105 HydrophobicContact CD2-CB 3.96Å; W84-N105 VanDerWaalsContact CE2-CB 3.43Å; W84-N105 HydrophobicContact CG-CB 4.23Å; W84-N105 WeakPolarHBondContact CH2-ND2 3.46Å; W84-N105 HydrophobicContact CZ2-CB 3.78Å; W84-N105 WeakPolarHBondContact CZ2-ND2 3.38Å; W84-N105 PolarHBondContact N-O 3.27Å; W84-N105 PolarHBondContact O-N 2.96Å; W84-G218 PolarHBondContact NE1-O 3.47Å; W84-P220 HydrophobicContact CD2-CB 3.8Å; W84-P220 HydrophobicContact CD2-CG 4.16Å; W84-P220 HydrophobicContact CE3-CB 3.71Å; W84-P220 HydrophobicContact CG-CB 4.41Å; W84-P220 HydrophobicContact CG-CG 4.3Å; W84-P220 HydrophobicContact CH2-CB 4.2Å; W84-P220 HydrophobicContact CZ2-CB 4.27Å; W84-P220 HydrophobicContact CZ3-CB 3.94Å; W84-V228 HydrophobicContact CE3-CG1 4.29Å; W84-Y229 CarbonylContact C-O 3.47Å; W84-Y229 WeakPolarHBondContact CA-O 3.23Å; W84-F230 HydrophobicContact CB-CD1 3.85Å; W84-F230 HydrophobicContact CB-CE1 3.84Å; W84-F230 HydrophobicContact CB-CZ 4.5Å |
| 85 | T | 93.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 159.6 | 177.2 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | E87 V90 M103 Y229 L231 | T85-E87 PolarHBondContact OG1-N 2.97Å; T85-V90 HydrophobicContact CG2-CB 4.34Å; T85-V90 HydrophobicContact CG2-CG1 4.23Å; T85-M103 WeakPolarHBondContact CB-O 3.41Å; T85-M103 PolarHBondContact OG1-O 3.47Å; T85-Y229 PolarHBondContact N-O 3.42Å; T85-Y229 WeakPolarHBondContact O-CB 3.44Å; T85-Y229 PolarHBondContact O-N 3.04Å; T85-L231 HydrophobicContact CG2-CD2 4.11Å |
| 86 | Y | 91.8 | Very high | 89.5 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -94.7 | -9.8 | 166 | -62.8 | -70.2 | 0 | 0 | 0 | 112.7 | W84 F88 S221 V228 | W84-Y86 AromaticContact CH2-CE2 3.95Å; W84-Y86 HydrophobicContact CH2-CE2 3.95Å; W84-Y86 AromaticContact CZ3-CD2 3.85Å; W84-Y86 HydrophobicContact CZ3-CD2 3.85Å; W84-Y86 AromaticContact CZ3-CE2 3.41Å; W84-Y86 HydrophobicContact CZ3-CE2 3.41Å; W84-Y86 VanDerWaalsContact CZ3-CE2 3.41Å; W84-Y86 AromaticContact CZ3-CZ 3.81Å; Y86-F88 PolarHBondContact O-N 2.85Å; Y86-S221 PolarHBondContact OH-N 3.14Å; Y86-S221 PolarHBondContact OH-O 3.42Å; Y86-S221 VanDerWaalsContact OH-O 3.07Å; Y86-S221 PolarHBondContact OH-OG 3.46Å; Y86-V228 HydrophobicContact CD1-CG2 4.3Å; Y86-V228 HydrophobicContact CE1-CG2 3.79Å |
| 87 | E | 91.9 | Very high | 90 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | trans | -86.6 | 110.8 | -172.4 | -66.9 | -56.5 | 147.7 | 0 | 0 | 111.5 | T85 K89 V90 F91 L98 M103 | T85-E87 PolarHBondContact OG1-N 2.97Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 3.27Å; E87-V90 HydrophobicContact CB-CB 4.03Å; E87-V90 HydrophobicContact CB-CG2 3.68Å; E87-V90 HydrophobicContact CG-CG2 4.5Å; E87-V90 PolarHBondContact O-N 2.86Å; E87-F91 PolarHBondContact O-N 2.82Å; E87-L98 HydrophobicContact CG-CD2 4.43Å; E87-M103 HydrophobicContact CG-CB 4.29Å; E87-M103 HydrophobicContact CG-CG 4.24Å; E87-M103 HydrophobicContact CG-SD 4.04Å | ||
| 88 | F | 90.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 26% | 0.263 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -38.7 | -178.8 | 177.4 | -109.5 | 0 | 0 | 0 | 112.6 | Y86 V90 F91 E92 Y229 L254 | Y86-F88 PolarHBondContact O-N 2.85Å; F88-V90 VanDerWaalsContact C-N 3.3Å; F88-V90 PolarHBondContact O-N 2.85Å; F88-F91 AromaticContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CE1 4.38Å; F88-F91 AromaticContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CE1 4.02Å; F88-F91 WeakPolarHBondContact O-CB 3.43Å; F88-F91 PolarHBondContact O-N 2.76Å; F88-E92 HydrophobicContact CE1-CB 4.21Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.25Å; F88-E92 HydrophobicContact CE2-CB 4.46Å; F88-E92 HydrophobicContact CZ-CB 4.08Å; F88-E92 HydrophobicContact CZ-CG 4.35Å; F88-E92 WeakPolarHBondContact O-CB 3.47Å; F88-E92 PolarHBondContact O-N 3.43Å; F88-Y229 HydrophobicContact CB-CE2 3.86Å; F88-Y229 HydrophobicContact CD2-CE1 4Å; F88-Y229 HydrophobicContact CD2-CE2 4.18Å; F88-Y229 AromaticContact CD2-CZ 3.62Å; F88-Y229 WeakPolarHBondContact CD2-OH 3.47Å; F88-L254 HydrophobicContact CD1-CD2 4.02Å; F88-L254 HydrophobicContact CD2-CD1 3.72Å; F88-L254 HydrophobicContact CD2-CD2 4.33Å; F88-L254 HydrophobicContact CE1-CD1 4.4Å; F88-L254 HydrophobicContact CE1-CD2 3.46Å; F88-L254 VanDerWaalsContact CE1-CD2 3.46Å; F88-L254 HydrophobicContact CE2-CD1 3.14Å; F88-L254 HydrophobicContact CE2-CD2 3.82Å; F88-L254 HydrophobicContact CE2-CG 4.07Å; F88-L254 HydrophobicContact CG-CD2 4.43Å; F88-L254 HydrophobicContact CZ-CD1 3.54Å; F88-L254 HydrophobicContact CZ-CD2 3.34Å; F88-L254 HydrophobicContact CZ-CG 4.07Å |
| 89 | K | 89.8 | Confident | 90.2 | Very high | 136 Ų | 136 | 51.8 Ų | 51.8 | 59% | 0.591 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.5 | -42.6 | 178.9 | -68.6 | -177.3 | 178.4 | 179.7 | 0 | 112 | E87 E92 S93 L98 | E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 3.27Å; K89-E92 PolarHBondContact O-N 3.11Å; K89-S93 WeakPolarHBondContact O-CB 3.18Å; K89-S93 PolarHBondContact O-N 2.79Å; K89-S93 PolarHBondContact O-OG 3.28Å; K89-L98 HydrophobicContact CB-CD1 3.97Å; K89-L98 HydrophobicContact CD-CD1 4.16Å |
| 90 | V | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 179.3 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | T85 E87 F88 C94 S95 L98 M103 V104 | T85-V90 HydrophobicContact CG2-CB 4.34Å; T85-V90 HydrophobicContact CG2-CG1 4.23Å; E87-V90 HydrophobicContact CB-CB 4.03Å; E87-V90 HydrophobicContact CB-CG2 3.68Å; E87-V90 HydrophobicContact CG-CG2 4.5Å; E87-V90 PolarHBondContact O-N 2.86Å; F88-V90 VanDerWaalsContact C-N 3.3Å; F88-V90 PolarHBondContact O-N 2.85Å; V90-C94 WeakPolarHBondContact O-CA 3.14Å; V90-C94 PolarHBondContact O-N 2.86Å; V90-S95 WeakPolarHBondContact CG1-O 3.42Å; V90-S95 PolarHBondContact O-N 2.89Å; V90-L98 HydrophobicContact CG2-CB 3.81Å; V90-L98 HydrophobicContact CG2-CD1 4.45Å; V90-L98 HydrophobicContact CG2-CD2 4.47Å; V90-L98 HydrophobicContact CG2-CG 4.48Å; V90-M103 HydrophobicContact CG1-CB 4.5Å; V90-M103 HydrophobicContact CG2-CB 3.77Å; V90-M103 HydrophobicContact CG2-CG 4.33Å; V90-V104 HydrophobicContact CG1-CG1 3.47Å; V90-V104 VanDerWaalsContact CG1-CG1 3.47Å |
| 91 | F | 92.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 174.8 | 168.1 | -102.2 | 0 | 0 | 0 | 113 | V60 E87 F88 C94 Y229 R243 | V60-F91 HydrophobicContact CB-CZ 4.27Å; V60-F91 HydrophobicContact CG1-CE1 4.22Å; V60-F91 HydrophobicContact CG1-CE2 4.15Å; V60-F91 HydrophobicContact CG1-CZ 3.44Å; V60-F91 VanDerWaalsContact CG1-CZ 3.44Å; E87-F91 PolarHBondContact O-N 2.82Å; F88-F91 AromaticContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CD1 3.78Å; F88-F91 HydrophobicContact CD2-CE1 4.38Å; F88-F91 AromaticContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CD1 3.71Å; F88-F91 HydrophobicContact CE2-CE1 4.02Å; F88-F91 WeakPolarHBondContact O-CB 3.43Å; F88-F91 PolarHBondContact O-N 2.76Å; F91-C94 PolarHBondContact O-N 3.15Å; F91-Y229 HydrophobicContact CB-CD1 4.19Å; F91-Y229 HydrophobicContact CB-CD2 4.21Å; F91-Y229 HydrophobicContact CB-CG 3.79Å; F91-Y229 AromaticContact CD1-CD1 3.63Å; F91-Y229 HydrophobicContact CD1-CD1 3.63Å; F91-Y229 AromaticContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CG 4.14Å; F91-Y229 AromaticContact CD2-CD1 3.76Å; F91-Y229 HydrophobicContact CD2-CD1 3.76Å; F91-Y229 AromaticContact CD2-CG 3.89Å; F91-Y229 HydrophobicContact CD2-CG 3.89Å; F91-Y229 AromaticContact CE1-CD1 3.71Å; F91-Y229 HydrophobicContact CE1-CD1 3.71Å; F91-Y229 AromaticContact CE1-CE1 3.92Å; F91-Y229 HydrophobicContact CE1-CE1 3.92Å; F91-Y229 AromaticContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CG 4.33Å; F91-Y229 AromaticContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD2 4.5Å; F91-Y229 HydrophobicContact CG-CE1 4.34Å; F91-Y229 AromaticContact CG-CG 3.7Å; F91-Y229 HydrophobicContact CG-CG 3.7Å; F91-Y229 AromaticContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CE1 4.27Å; F91-R243 HydrophobicContact CD2-CB 4.05Å; F91-R243 HydrophobicContact CE2-CB 3.64Å; F91-R243 HydrophobicContact CE2-CG 4.02Å; F91-R243 HydrophobicContact CZ-CB 4.49Å; F91-R243 HydrophobicContact CZ-CG 4.43Å; F91-R243 PolarHBondContact O-NH1 2.82Å |
| 92 | E | 90.4 | Very high | 89.9 | Confident | 118 Ų | 118 | 62 Ų | 62 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | 179.5 | -173.7 | 179.4 | -162 | 0 | 0 | 111.5 | F88 K89 C94 R243 | F88-E92 HydrophobicContact CE1-CB 4.21Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.25Å; F88-E92 HydrophobicContact CE2-CB 4.46Å; F88-E92 HydrophobicContact CZ-CB 4.08Å; F88-E92 HydrophobicContact CZ-CG 4.35Å; F88-E92 WeakPolarHBondContact O-CB 3.47Å; F88-E92 PolarHBondContact O-N 3.43Å; K89-E92 PolarHBondContact O-N 3.11Å; E92-C94 VanDerWaalsContact C-N 3.31Å; E92-C94 PolarHBondContact O-N 2.81Å; E92-R243 VanDerWaalsContact C-NH1 3.35Å; E92-R243 PolarHBondContact O-NH1 3.24Å |
| 93 | S | 92.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.8 | 179.4 | 66.9 | 0 | 0 | 0 | 0 | 114 | K89 S95 H238 | K89-S93 WeakPolarHBondContact O-CB 3.18Å; K89-S93 PolarHBondContact O-N 2.79Å; K89-S93 PolarHBondContact O-OG 3.28Å; S93-S95 PolarHBondContact O-N 2.87Å; S93-S95 WeakPolarHBondContact OG-CB 2.92Å; S93-S95 PolarHBondContact OG-OG 2.74Å; S93-S95 VanDerWaalsContact OG-OG 3.05Å; S93-H238 PolarHBondContact O-CE1 3.48Å; S93-H238 PolarHBondContact O-NE2 3.41Å |
| 94 | C | 94.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 30.1 | -172 | -71.3 | 0 | 0 | 0 | 0 | 113.3 | V90 F91 E92 P234 C237 | V90-C94 WeakPolarHBondContact O-CA 3.14Å; V90-C94 PolarHBondContact O-N 2.86Å; F91-C94 PolarHBondContact O-N 3.15Å; E92-C94 VanDerWaalsContact C-N 3.31Å; E92-C94 PolarHBondContact O-N 2.81Å; C94-P234 WeakPolarHBondContact O-CB 3.08Å; C94-C237 HydrophobicContact CB-CB 3.58Å; C94-C237 WeakPolarHBondContact CB-SG 2.86Å; C94-C237 WeakPolarHBondContact SG-CB 3.26Å; C94-C237 CovalentContact SG-SG 2.04Å; C94-C237 PolarHBondContact SG-SG 3.37Å |
| 95 | S | 92.9 | Very high | 89.3 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | trans | -86.2 | 166.4 | -179.6 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | V90 S93 W97 | V90-S95 WeakPolarHBondContact CG1-O 3.42Å; V90-S95 PolarHBondContact O-N 2.89Å; S93-S95 PolarHBondContact O-N 2.87Å; S93-S95 WeakPolarHBondContact OG-CB 2.92Å; S93-S95 PolarHBondContact OG-OG 2.74Å; S93-S95 VanDerWaalsContact OG-OG 3.05Å; S95-W97 PolarHBondContact OG-O 2.03Å | ||
| 96 | M | 90.2 | Very high | 89.2 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 28% | 0.281 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -98 | -13.7 | 168 | -62.8 | -175.1 | 64.9 | 0 | 0 | 112 | L102 M103 V104 P234 | M96-L102 HydrophobicContact CB-CD1 4.06Å; M96-L102 HydrophobicContact CE-CD1 4.09Å; M96-L102 WeakPolarHBondContact O-CD1 2.96Å; M96-M103 PolarHBondContact O-N 2.83Å; M96-V104 HydrophobicContact CB-CG2 3.7Å; M96-V104 HydrophobicContact CE-CG2 3.76Å; M96-V104 HydrophobicContact CG-CG2 3.93Å; M96-P234 HydrophobicContact CG-CG 3.76Å; M96-P234 HydrophobicContact SD-CG 4.12Å |
| 97 | W | 88.5 | Confident | 89.1 | Confident | 150 Ų | 150 | 68.6 Ų | 68.6 | 57% | 0.568 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147 | -166 | -28.6 | 91.1 | 0 | 0 | 0 | 110.4 | S95 N101 L102 | S95-W97 PolarHBondContact OG-O 2.03Å; W97-N101 VanDerWaalsContact CA-O 3.26Å; W97-N101 WeakPolarHBondContact CA-O 3.34Å; W97-L102 HydrophobicContact CD2-CD1 4.47Å; W97-L102 HydrophobicContact CE3-CB 3.99Å; W97-L102 HydrophobicContact CE3-CD1 3.87Å; W97-L102 HydrophobicContact CH2-CD1 4.2Å; W97-L102 HydrophobicContact CZ3-CB 3.99Å; W97-L102 HydrophobicContact CZ3-CD1 3.72Å; W97-L102 HydrophobicContact CZ3-CG 4.41Å |
| 98 | L | 81.4 | Confident | 89 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 124.4 | 165.4 | -167.5 | 69.1 | 0 | 0 | 0 | 107.6 | E87 K89 V90 D100 N101 M103 | E87-L98 HydrophobicContact CG-CD2 4.43Å; K89-L98 HydrophobicContact CB-CD1 3.97Å; K89-L98 HydrophobicContact CD-CD1 4.16Å; V90-L98 HydrophobicContact CG2-CB 3.81Å; V90-L98 HydrophobicContact CG2-CD1 4.45Å; V90-L98 HydrophobicContact CG2-CD2 4.47Å; V90-L98 HydrophobicContact CG2-CG 4.48Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.98Å; L98-N101 PolarHBondContact N-O 2.81Å; L98-N101 PolarHBondContact O-N 3.05Å; L98-M103 HydrophobicContact CB-CB 4.47Å; L98-M103 HydrophobicContact CB-CG 3.67Å |
| 99 | N | 81.4 | Confident | 89 | Confident | 137 Ų | 137 | 68.5 Ų | 68.5 | 73% | 0.733 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 51.3 | -178.2 | -54.5 | -23.6 | 0 | 0 | 0 | 112.3 | N101 | N99-N101 PolarHBondContact O-N 3.38Š|
| 100 | D | 81.1 | Confident | 88.9 | Confident | 157 Ų | 157 | 62 Ų | 62 | 84% | 0.84 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 3.1 | -178 | -57.1 | -38 | 0 | 0 | 0 | 116.7 | L98 | L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.98Å |
| 101 | N | 86.6 | Confident | 88.6 | Confident | 97 Ų | 97 | 63.7 Ų | 63.7 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.7 | 175.7 | -64.4 | -37.9 | 0 | 0 | 0 | 110.5 | W97 L98 N99 M103 | W97-N101 VanDerWaalsContact CA-O 3.26Å; W97-N101 WeakPolarHBondContact CA-O 3.34Å; L98-N101 PolarHBondContact N-O 2.81Å; L98-N101 PolarHBondContact O-N 3.05Å; N99-N101 PolarHBondContact O-N 3.38Å; N101-M103 HydrophobicContact CB-CE 3.31Å; N101-M103 PolarHBondContact O-N 3.44Å |
| 102 | L | 85.9 | Confident | 87.8 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 115.3 | 171.2 | -177.6 | 72.9 | 0 | 0 | 0 | 108.8 | M96 W97 V104 | M96-L102 HydrophobicContact CB-CD1 4.06Å; M96-L102 HydrophobicContact CE-CD1 4.09Å; M96-L102 WeakPolarHBondContact O-CD1 2.96Å; W97-L102 HydrophobicContact CD2-CD1 4.47Å; W97-L102 HydrophobicContact CE3-CB 3.99Å; W97-L102 HydrophobicContact CE3-CD1 3.87Å; W97-L102 HydrophobicContact CH2-CD1 4.2Å; W97-L102 HydrophobicContact CZ3-CB 3.99Å; W97-L102 HydrophobicContact CZ3-CD1 3.72Å; W97-L102 HydrophobicContact CZ3-CG 4.41Å; L102-V104 HydrophobicContact CD1-CG2 3.77Å; L102-V104 HydrophobicContact CG-CG2 4.47Å |
| 103 | M | 88.1 | Confident | 86.7 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 30% | 0.296 | 33% | 0.334 | S | S | . | . | trans | -109.6 | 3.2 | -175.7 | -74.2 | -64.6 | 142.1 | 0 | 0 | 113.2 | T85 E87 V90 M96 L98 N101 | T85-M103 WeakPolarHBondContact CB-O 3.41Å; T85-M103 PolarHBondContact OG1-O 3.47Å; E87-M103 HydrophobicContact CG-CB 4.29Å; E87-M103 HydrophobicContact CG-CG 4.24Å; E87-M103 HydrophobicContact CG-SD 4.04Å; V90-M103 HydrophobicContact CG1-CB 4.5Å; V90-M103 HydrophobicContact CG2-CB 3.77Å; V90-M103 HydrophobicContact CG2-CG 4.33Å; M96-M103 PolarHBondContact O-N 2.83Å; L98-M103 HydrophobicContact CB-CB 4.47Å; L98-M103 HydrophobicContact CB-CG 3.67Å; N101-M103 HydrophobicContact CB-CE 3.31Å; N101-M103 PolarHBondContact O-N 3.44Å | ||
| 104 | V | 91 | Very high | 85.1 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | trans | -112.6 | 136.7 | 179.7 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | L83 V90 M96 L102 L231 | L83-V104 HydrophobicContact CB-CB 4.49Å; L83-V104 HydrophobicContact CD1-CG2 4.41Å; V90-V104 HydrophobicContact CG1-CG1 3.47Å; V90-V104 VanDerWaalsContact CG1-CG1 3.47Å; M96-V104 HydrophobicContact CB-CG2 3.7Å; M96-V104 HydrophobicContact CE-CG2 3.76Å; M96-V104 HydrophobicContact CG-CG2 3.93Å; L102-V104 HydrophobicContact CD1-CG2 3.77Å; L102-V104 HydrophobicContact CG-CG2 4.47Å; V104-L231 HydrophobicContact CG1-CD2 4.31Å | ||
| 105 | N | 92 | Very high | 83.2 | Confident | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.9 | 175.2 | -68.1 | -56.5 | 0 | 0 | 0 | 109.9 | L83 W84 | L83-N105 CarbonylContact C-O 3.55Å; L83-N105 VanDerWaalsContact CA-O 3.25Å; L83-N105 WeakPolarHBondContact CA-O 3.37Å; W84-N105 HydrophobicContact CD2-CB 3.96Å; W84-N105 VanDerWaalsContact CE2-CB 3.43Å; W84-N105 HydrophobicContact CG-CB 4.23Å; W84-N105 WeakPolarHBondContact CH2-ND2 3.46Å; W84-N105 HydrophobicContact CZ2-CB 3.78Å; W84-N105 WeakPolarHBondContact CZ2-ND2 3.38Å; W84-N105 PolarHBondContact N-O 3.27Å; W84-N105 PolarHBondContact O-N 2.96Å |
| 106 | L | 91.1 | Very high | 81.2 | Confident | 56 Ų | 56 | 73.8 Ų | 73.8 | 29% | 0.293 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.9 | 173.2 | 178.5 | 69 | 0 | 0 | 0 | 109.8 | Y81 L83 L108 I191 | Y81-L106 HydrophobicContact CD1-CD1 3.83Å; Y81-L106 HydrophobicContact CG-CD1 4.3Å; L83-L106 HydrophobicContact CD2-CB 4.29Å; L83-L106 HydrophobicContact CD2-CD1 3.76Å; L106-L108 WeakPolarHBondContact CD1-O 3.25Å; L106-I191 HydrophobicContact CD2-CD1 3.9Å; L106-I191 HydrophobicContact CD2-CG2 3.7Å |
| 107 | L | 89.8 | Confident | 79.1 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -53.7 | 168 | -167.8 | 70 | 0 | 0 | 0 | 111 | F73 I82 F206 F230 | F73-L107 HydrophobicContact CD2-CD2 4.19Å; F73-L107 HydrophobicContact CE2-CD2 3.99Å; I82-L107 HydrophobicContact CB-CB 4.28Å; I82-L107 HydrophobicContact CG2-CB 4.13Å; I82-L107 HydrophobicContact CG2-CD2 3.8Å; I82-L107 VanDerWaalsContact O-CB 3.31Å; I82-L107 WeakPolarHBondContact O-CB 3.33Å; I82-L107 PolarHBondContact O-N 3.3Å; L107-F206 HydrophobicContact CD1-CE1 3.61Å; L107-F206 HydrophobicContact CD1-CZ 3.72Å; L107-F206 HydrophobicContact CD2-CD1 3.84Å; L107-F206 HydrophobicContact CD2-CE1 3.57Å; L107-F206 HydrophobicContact CD2-CZ 4.42Å; L107-F206 HydrophobicContact CG-CD1 4.08Å; L107-F206 HydrophobicContact CG-CE1 3.53Å; L107-F206 HydrophobicContact CG-CZ 3.89Å; L107-F230 HydrophobicContact CD2-CD1 4.38Å; L107-F230 HydrophobicContact CD2-CE1 3.94Å |
| 108 | L | 88.7 | Confident | 77.2 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 141.1 | -172.7 | -174.3 | 74.2 | 0 | 0 | 0 | 111 | I82 L106 F206 | I82-L108 HydrophobicContact CB-CB 4.28Å; I82-L108 HydrophobicContact CD1-CB 4.15Å; I82-L108 HydrophobicContact CD1-CD2 3.92Å; I82-L108 HydrophobicContact CG1-CB 4.35Å; I82-L108 PolarHBondContact N-O 3.5Å; I82-L108 PolarHBondContact O-N 3.07Å; L106-L108 WeakPolarHBondContact CD1-O 3.25Å; L108-F206 HydrophobicContact CD1-CB 4.38Å; L108-F206 HydrophobicContact CD1-CD2 4.24Å; L108-F206 HydrophobicContact CD2-CB 3.63Å; L108-F206 HydrophobicContact CD2-CG 4.4Å; L108-F206 HydrophobicContact CG-CB 4.44Å |
| 109 | K | 89.8 | Confident | 75.7 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 41% | 0.409 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122 | 160.5 | -178.1 | -177 | -167.1 | 165.8 | 0 | 109.1 | Y81 | Y81-K109 HydrophobicContact CD1-CB 3.76Å; Y81-K109 HydrophobicContact CD1-CD 4.31Å; Y81-K109 HydrophobicContact CD1-CG 3.7Å; Y81-K109 HydrophobicContact CE1-CB 3.77Å; Y81-K109 HydrophobicContact CE1-CD 3.49Å; Y81-K109 VanDerWaalsContact CE1-CD 3.49Å; Y81-K109 HydrophobicContact CE1-CG 3.37Å; Y81-K109 PolarHBondContact OH-NZ 3.27Å |
| 110 | C | 89 | Confident | 73.7 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 134.9 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 110.6 | C75 Q77 S79 I80 | C75-C110 HydrophobicContact CB-CB 3.55Å; C75-C110 WeakPolarHBondContact CB-SG 3.31Å; C75-C110 WeakPolarHBondContact SG-CA 3.45Å; C75-C110 WeakPolarHBondContact SG-CB 3.17Å; C75-C110 CovalentContact SG-SG 2.03Å; C75-C110 PolarHBondContact SG-SG 2.85Å; Q77-C110 WeakPolarHBondContact O-CB 3.32Å; S79-C110 PolarHBondContact N-O 2.91Å; I80-C110 WeakPolarHBondContact O-CB 3.5Å; I80-C110 PolarHBondContact O-N 2.67Å; I80-C110 PolarHBondContact O-SG 3.48Å; I80-C110 VanDerWaalsContact O-SG 3.39Å |
| 111 | P | 83.9 | Confident | 71.6 | Confident | 36 Ų | 36 | 83.1 Ų | 83.1 | 23% | 0.234 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -67 | 139.3 | -175.3 | 31.2 | -39.8 | 0 | 0 | 0 | 111.6 | P203 | P111-P203 VanDerWaalsContact CG-O 3.25Å; P111-P203 WeakPolarHBondContact CG-O 3.49Å |
| 112 | D | 76.1 | Confident | 69.5 | Low | 42 Ų | 42 | 87.7 Ų | 87.7 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 139.4 | 169.7 | -55.3 | -19.9 | 0 | 0 | 0 | 109.4 | S79 S114 N115 | S79-D112 WeakPolarHBondContact CA-OD1 3.33Å; S79-D112 WeakPolarHBondContact CB-OD1 3.4Å; S79-D112 PolarHBondContact N-OD1 3.36Å; S79-D112 PolarHBondContact OG-OD1 3.39Å; D112-S114 PolarHBondContact O-N 3.29Å; D112-N115 PolarHBondContact O-N 2.81Å |
| 113 | K | 66 | Low | 67.4 | Low | 125 Ų | 125 | 90.1 Ų | 90.1 | 54% | 0.543 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -23.9 | -178.6 | -82.6 | 179.8 | -158 | 129.9 | 0 | 112.3 | E78 N115 R116 | E78-K113 VanDerWaalsContact CD-CB 3.48Å; E78-K113 HydrophobicContact CG-CB 4.32Å; E78-K113 HydrophobicContact CG-CD 4.36Å; E78-K113 HydrophobicContact CG-CG 3.79Å; E78-K113 WeakPolarHBondContact OE1-CD 3.46Å; E78-K113 WeakPolarHBondContact OE1-CE 3.29Å; E78-K113 WeakPolarHBondContact OE1-CG 3.24Å; E78-K113 IonicContact OE1-NZ 2.67Å; E78-K113 PolarHBondContact OE1-NZ 3.05Å; E78-K113 VanDerWaalsContact OE2-CB 3.25Å; E78-K113 WeakPolarHBondContact OE2-CB 3.33Å; E78-K113 PolarHBondContact OE2-N 3.41Å; K113-N115 VanDerWaalsContact C-N 3.27Å; K113-N115 PolarHBondContact O-N 3.03Å; K113-R116 PolarHBondContact O-N 3.07Å |
| 114 | S | 60.4 | Low | 65 | Low | 75 Ų | 75 | 91.8 Ų | 91.8 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 174.9 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | D112 R116 K117 | D112-S114 PolarHBondContact O-N 3.29Å; S114-R116 VanDerWaalsContact C-N 3.35Å; S114-R116 PolarHBondContact O-N 3.44Å; S114-K117 PolarHBondContact O-N 3.49Å |
| 115 | N | 52.5 | Low | 62.6 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.6 | -23.2 | -179.8 | -72.8 | -33.9 | 0 | 0 | 0 | 113.2 | D112 K113 K117 L118 Q119 | D112-N115 PolarHBondContact O-N 2.81Å; K113-N115 VanDerWaalsContact C-N 3.27Å; K113-N115 PolarHBondContact O-N 3.03Å; N115-K117 VanDerWaalsContact C-N 3.34Å; N115-K117 PolarHBondContact O-N 2.95Å; N115-L118 PolarHBondContact O-N 2.68Å; N115-Q119 PolarHBondContact O-N 2.97Å |
| 116 | R | 51.5 | Low | 59.9 | Low | 107 Ų | 107 | 96.7 Ų | 96.7 | 40% | 0.404 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.1 | -34.5 | 175 | -76.4 | -176.4 | 175.1 | 170.6 | -2.5 | 112.3 | K113 S114 M120 S204 | K113-R116 PolarHBondContact O-N 3.07Å; S114-R116 VanDerWaalsContact C-N 3.35Å; S114-R116 PolarHBondContact O-N 3.44Å; R116-M120 WeakPolarHBondContact O-CG 3.41Å; R116-M120 PolarHBondContact O-N 2.87Å; R116-S204 VanDerWaalsContact NH2-CB 3.26Å; R116-S204 PolarHBondContact NH2-OG 3.05Å; R116-S204 VanDerWaalsContact NH2-OG 3.12Å |
| 117 | K | 45.7 | Very low | 57.2 | Low | 173 Ų | 173 | 101.5 Ų | 101.5 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.5 | -33.2 | 176.8 | -76 | -173.7 | 177.6 | -179.6 | 0 | 112.6 | S114 N115 R121 | S114-K117 PolarHBondContact O-N 3.49Å; N115-K117 VanDerWaalsContact C-N 3.34Å; N115-K117 PolarHBondContact O-N 2.95Å; K117-R121 WeakPolarHBondContact O-CB 3.42Å; K117-R121 PolarHBondContact O-N 2.77Å |
| 118 | L | 48.3 | Very low | 54.6 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -76.9 | -33.3 | -179.6 | -80.4 | 158.6 | 0 | 0 | 0 | 113.2 | N115 R122 | N115-L118 PolarHBondContact O-N 2.68Å; L118-R122 PolarHBondContact O-N 2.93Å |
| 119 | Q | 50.2 | Low | 51.9 | Low | 122 Ų | 122 | 110.8 Ų | 110.8 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.5 | -37.7 | 178.4 | -75.1 | -176.4 | -1.1 | 0 | 0 | 113.3 | N115 R121 R122 Q123 | N115-Q119 PolarHBondContact O-N 2.97Å; Q119-R121 VanDerWaalsContact C-N 3.35Å; Q119-R121 PolarHBondContact O-N 2.81Å; Q119-R122 PolarHBondContact O-N 2.92Å; Q119-Q123 PolarHBondContact O-N 2.82Å |
| 120 | M | 39.2 | Very low | 49.2 | Very low | 143 Ų | 143 | 116.1 Ų | 116.1 | 70% | 0.704 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -39.8 | 173.4 | -73.4 | -95.2 | -154.4 | 0 | 0 | 111.9 | R116 R122 Q123 S124 | R116-M120 WeakPolarHBondContact O-CG 3.41Å; R116-M120 PolarHBondContact O-N 2.87Å; M120-R122 VanDerWaalsContact C-N 3.35Å; M120-R122 PolarHBondContact O-N 3.36Å; M120-Q123 PolarHBondContact O-N 3.48Å; M120-S124 PolarHBondContact O-N 3.2Å; M120-S124 VanDerWaalsContact O-N 3.15Å |
| 121 | R | 38.2 | Very low | 46.5 | Very low | 192 Ų | 192 | 123 Ų | 123 | 73% | 0.725 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.2 | -27.9 | -179.8 | -154.2 | 175 | -167.4 | 168.2 | 3 | 113 | K117 Q119 T125 | K117-R121 WeakPolarHBondContact O-CB 3.42Å; K117-R121 PolarHBondContact O-N 2.77Å; Q119-R121 VanDerWaalsContact C-N 3.35Å; Q119-R121 PolarHBondContact O-N 2.81Å; R121-T125 WeakPolarHBondContact O-CG2 2.98Å; R121-T125 PolarHBondContact O-OG1 3.23Å |
| 122 | R | 41.5 | Very low | 44 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.1 | -26 | 173.9 | -80.5 | -177.3 | 176.2 | 172.1 | -0.3 | 113.5 | L118 Q119 M120 | L118-R122 PolarHBondContact O-N 2.93Å; Q119-R122 PolarHBondContact O-N 2.92Å; M120-R122 VanDerWaalsContact C-N 3.35Å; M120-R122 PolarHBondContact O-N 3.36Å |
| 123 | Q | 42.5 | Very low | 42.1 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -86.7 | -20.6 | 176.4 | -72.3 | 177.4 | -6.8 | 0 | 0 | 113 | Q119 M120 | Q119-Q123 PolarHBondContact O-N 2.82Å; M120-Q123 PolarHBondContact O-N 3.48Å |
| 124 | S | 38.7 | Very low | 40.4 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -91.5 | -3.6 | 176.9 | 99.7 | 0 | 0 | 0 | 0 | 114.8 | M120 | M120-S124 PolarHBondContact O-N 3.2Å; M120-S124 VanDerWaalsContact O-N 3.15Å |
| 125 | T | 38.7 | Very low | 39 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 53% | 0.528 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -105.2 | 4.6 | -177.7 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | R121 | R121-T125 WeakPolarHBondContact O-CG2 2.98Å; R121-T125 PolarHBondContact O-OG1 3.23Å |
| 126 | T | 35.6 | Very low | 38 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -102.6 | 62.7 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 127 | N | 34.4 | Very low | 37 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -164 | 31.8 | 171.1 | -89.3 | -22.8 | 0 | 0 | 0 | 112.4 | ||||
| 128 | I | 36.2 | Very low | 36.3 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -103.6 | 118.4 | 171.6 | -59 | 178.3 | 0 | 0 | 0 | 108 | K130 | I128-K130 PolarHBondContact O-N 3.35Š| ||
| 129 | P | 31.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 148 Ų | 148 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | -62.1 | 135.8 | 177.7 | -7.2 | 19.1 | 0 | 0 | 0 | 109.9 | D131 | P129-D131 VanDerWaalsContact C-N 3.31Å; P129-D131 PolarHBondContact O-N 3.12Å | ||
| 130 | K | 32.2 | Very low | 34.2 | Very low | 206 Ų | 206 | 149.1 Ų | 149.1 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -65.4 | 89.4 | 168.1 | -70 | 173.6 | 176.8 | 175 | 0 | 108.4 | I128 | I128-K130 PolarHBondContact O-N 3.35Š| ||
| 131 | D | 32.1 | Very low | 33.8 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -154.1 | 127.7 | 164.1 | -93.1 | -37.1 | 0 | 0 | 0 | 111.5 | P129 | P129-D131 VanDerWaalsContact C-N 3.31Å; P129-D131 PolarHBondContact O-N 3.12Å | ||
| 132 | K | 33.3 | Very low | 33.5 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | 58.9 | 98.6 | 165 | -71.3 | 174.4 | 173.8 | 173.4 | 0 | 117.4 | ||||
| 133 | L | 35.1 | Very low | 32.8 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | -163.2 | 103.7 | 110.1 | -123.6 | 93.1 | 0 | 0 | 0 | 110.3 | |||||
| 134 | N | 30.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -76.4 | 133.2 | 160.3 | -65.1 | -45.6 | 0 | 0 | 0 | 108.3 | ||||
| 135 | L | 30.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 160.9 | 124.5 | 120.6 | -111.8 | 74.4 | 0 | 0 | 0 | 111.6 | |||||
| 136 | K | 32.1 | Very low | 31.6 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 67.3 | 96.6 | 144.4 | -65.3 | 178.6 | -178.6 | -178.5 | 0 | 119.1 | ||||
| 137 | T | 30.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 147.3 | 135.8 | 20.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 138 | P | 30.1 | Very low | 31.1 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -140.6 | 156.9 | 107.1 | 34.5 | -19.3 | 0 | 0 | 0 | 114.4 | |||||
| 139 | Q | 27.8 | Very low | 30.9 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -48.6 | 135.9 | 166.1 | -62.4 | 153.6 | -19.7 | 0 | 0 | 111.7 | ||||
| 140 | N | 26.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 156.4 Ų | 156.4 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 153.4 | 146.7 | 132.1 | -83.8 | -29.5 | 0 | 0 | 0 | 112.8 | ||||
| 141 | L | 30.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | 116.1 | 100.1 | 148.8 | -67.1 | 131.4 | 0 | 0 | 0 | 118.8 | ||||
| 142 | V | 31.4 | Very low | 30.8 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 65% | 0.648 | 80% | 0.8 | S | S | * | * | 88.9 | 94.1 | 117.1 | 178 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 143 | I | 27.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | 5 | 115.9 | 121 | -55.5 | 166.9 | 0 | 0 | 0 | 114.9 | |||||
| 144 | K | 33.4 | Very low | 30.6 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -138.1 | 109.8 | 148.5 | -88.8 | -171.5 | 177.7 | 176.6 | 0 | 111.2 | ||||
| 145 | N | 28.2 | Very low | 30.6 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -58.8 | 132.8 | 165.7 | -78.9 | -27.8 | 0 | 0 | 0 | 110.7 | ||||
| 146 | Y | 33.3 | Very low | 30.7 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 93% | 0.929 | 80% | 0.8 | S | S | * | * | trans | -103.7 | 93.7 | 158.9 | -88.2 | -89.5 | 0 | 0 | 0 | 108.1 | ||||
| 147 | S | 27.8 | Very low | 30.7 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -133.8 | 86.5 | 168.6 | 55.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 148 | S | 30.4 | Very low | 30.7 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 175.5 | 102.4 | 153.3 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 149 | L | 33.6 | Very low | 30.8 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | trans | -158.7 | 81.9 | 146 | -104.5 | 140 | 0 | 0 | 0 | 107.7 | ||||
| 150 | I | 31.2 | Very low | 30.9 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -64.7 | 129.1 | 157.9 | -72.8 | 164.1 | 0 | 0 | 0 | 106.8 | ||||
| 151 | G | 32.1 | Very low | 31.1 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -177.1 | 86.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 152 | N | 29.2 | Very low | 31 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -39.5 | 136.6 | 179 | -64.7 | -28.8 | 0 | 0 | 0 | 115.7 | ||||
| 153 | S | 34 | Very low | 31.1 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | -166.6 | 140.1 | 121.9 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 154 | S | 30.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 155.3 Ų | 155.3 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | trans | -79.7 | 172.5 | -165.1 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 155 | T | 30 | Very low | 31.1 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | 69.2 | 99.4 | 150.4 | 42.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 156 | V | 33.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 160.5 Ų | 160.5 | 92% | 0.915 | 84% | 0.838 | S | S | * | * | -161.4 | 122.2 | 109 | 173 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 157 | Q | 32 | Very low | 31.2 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 78% | 0.78 | 83% | 0.832 | S | S | * | * | trans | -98.7 | 156.3 | -174.2 | -152.9 | 168.5 | -10.7 | 0 | 0 | 109.4 | ||||
| 158 | N | 31.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 158.8 Ų | 158.8 | 69% | 0.69 | 84% | 0.84 | S | S | * | * | trans | 92.3 | 104.1 | 163.7 | -55.4 | -24.5 | 0 | 0 | 0 | 117.9 | ||||
| 159 | N | 30.7 | Very low | 31.5 | Very low | 144 Ų | 144 | 162.1 Ų | 162.1 | 77% | 0.77 | 85% | 0.849 | S | S | * | * | 161.7 | 60.4 | 116.6 | -79.2 | -25.6 | 0 | 0 | 0 | 113.5 | |||||
| 160 | Y | 31.6 | Very low | 31.5 | Very low | 238 Ų | 238 | 159.2 Ų | 159.2 | 93% | 0.933 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -146.5 | 51.1 | 164 | -77.7 | -77.5 | 0 | 0 | 0 | 111.9 | ||
| 161 | V | 29.3 | Very low | 31.6 | Very low | 146 Ų | 146 | 159.4 Ų | 159.4 | 89% | 0.885 | 84% | 0.844 | S | S | * | * | trans | -142.8 | 71.7 | 170.7 | -172 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 162 | K | 29.7 | Very low | 31.7 | Very low | 203 Ų | 203 | 165.3 Ų | 165.3 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | trans | -167.1 | 64.1 | 166.3 | -130.9 | 177.5 | -175.1 | 179.8 | 0 | 113.9 | ||||
| 163 | L | 32.4 | Very low | 31.9 | Very low | 183 Ų | 183 | 168.8 Ų | 168.8 | 96% | 0.958 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -170.4 | 64.5 | 158.7 | -103.2 | 138.4 | 0 | 0 | 0 | 109.5 | ||
| 164 | K | 30.7 | Very low | 31.9 | Very low | 207 Ų | 207 | 172.6 Ų | 172.6 | 90% | 0.9 | 85% | 0.852 | S | S | * | * | trans | -143.7 | 37.4 | 176.3 | -137.6 | -178.6 | -172 | -175.8 | 0 | 112.4 | ||||
| 165 | K | 32.1 | Very low | 32 | Very low | 198 Ų | 198 | 175.4 Ų | 175.4 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | trans | -143 | 31.5 | -171.6 | -129.3 | -179 | -174.8 | -175.9 | 0 | 116.3 | ||||
| 166 | Y | 31.8 | Very low | 32.2 | Very low | 238 Ų | 238 | 178.1 Ų | 178.1 | 93% | 0.933 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -138.7 | 68.2 | 167.6 | -85.9 | -81.3 | 0 | 0 | 0 | 109.9 | ||
| 167 | S | 30.6 | Very low | 32 | Very low | 115 Ų | 115 | 181.5 Ų | 181.5 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | trans | -161.3 | 44.5 | 167.4 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 168 | E | 33.4 | Very low | 32.1 | Very low | 182 Ų | 182 | 178.4 Ų | 178.4 | 85% | 0.85 | 85% | 0.853 | S | S | * | * | trans | -147.7 | 97.7 | 170.6 | -77 | -174.1 | 156.7 | 0 | 0 | 107 | ||||
| 169 | L | 32.4 | Very low | 32.2 | Very low | 178 Ų | 178 | 177.2 Ų | 177.2 | 93% | 0.932 | 86% | 0.855 | S | S | * | * | S | Bend | trans | 162.8 | 79.2 | 157.6 | -88.5 | 157.1 | 0 | 0 | 0 | 109.5 | ||
| 170 | S | 33.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 175.8 Ų | 175.8 | 83% | 0.832 | 86% | 0.856 | S | S | * | * | trans | 179.3 | 48.8 | 153.8 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 171 | I | 32.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 169 Ų | 169 | 87% | 0.867 | 84% | 0.844 | S | S | * | * | trans | -138.9 | 94 | 166.1 | -55 | 179.1 | 0 | 0 | 0 | 108.6 | ||||
| 172 | K | 34.4 | Very low | 32.2 | Very low | 199 Ų | 199 | 167.1 Ų | 167.1 | 87% | 0.865 | 84% | 0.837 | S | S | * | * | trans | -153.5 | 126.4 | 157.4 | -105.5 | 177.5 | -173.5 | 177.6 | 0 | 108.5 | ||||
| 173 | R | 32.6 | Very low | 32.3 | Very low | 231 Ų | 231 | 162.4 Ų | 162.4 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | 91.8 | 91.9 | 172.2 | -55.2 | 174.6 | -175.3 | 168.8 | 1.5 | 114.9 | ||||
| 174 | F | 34.8 | Very low | 32 | Very low | 204 Ų | 204 | 159.5 Ų | 159.5 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | -163.6 | 110.4 | 94.6 | -108.9 | -85.6 | 0 | 0 | 0 | 109.6 | |||||
| 175 | N | 33 | Very low | 31.8 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -82.1 | 129.8 | 173.5 | -79 | -29.2 | 0 | 0 | 0 | 109.7 | ||||
| 176 | K | 33.9 | Very low | 31.8 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | 170.8 | 127 | 121.2 | -107.6 | 173.7 | 172.4 | 170.8 | 0 | 111.5 | |||||
| 177 | R | 29.7 | Very low | 31.9 | Very low | 222 Ų | 222 | 145.4 Ų | 145.4 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 59.9 | 115.8 | 149.3 | -78.1 | 175.5 | 170.5 | 164 | -4.7 | 115.6 | ||||
| 178 | S | 33.8 | Very low | 32.1 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | cis | -162.7 | 135.9 | 41.5 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 179 | S | 32.8 | Very low | 32 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 53.4 | 117 | 141.5 | 49.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 180 | S | 32.7 | Very low | 32 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 65.2 | 132.8 | 147.8 | 56.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 181 | S | 30.7 | Very low | 32 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -177 | 119.4 | 3.3 | 40 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 182 | S | 28 | Very low | 31.9 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 40.4 | 110.4 | 132.6 | 62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 183 | S | 31.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 161.5 | 124.2 | 114.1 | 50.4 | 0 | 0 | 0 | 0 | 111 | S185 | S183-S185 PolarHBondContact O-N 3.32Š| |||
| 184 | S | 27.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -42.3 | 113.4 | 153.1 | 49.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 185 | S | 27.5 | Very low | 31.9 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | 174.5 | 140.4 | 144.8 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | S183 | S183-S185 PolarHBondContact O-N 3.32Š| ||
| 186 | S | 31.2 | Very low | 32.1 | Very low | 66 Ų | 66 | 127 Ų | 127 | 46% | 0.462 | 72% | 0.719 | S | S | . | * | trans | 84.3 | 102.8 | 149.8 | 91.7 | 0 | 0 | 0 | 0 | 118.6 | K188 | S186-K188 PolarHBondContact O-N 3.26Š| ||
| 187 | L | 34 | Very low | 32.5 | Very low | 185 Ų | 185 | 122 Ų | 122 | 97% | 0.969 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 21.9 | 147 | -87.9 | 152.5 | 0 | 0 | 0 | 112.5 | ||
| 188 | K | 34 | Very low | 32.9 | Very low | 195 Ų | 195 | 117.5 Ų | 117.5 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -1.5 | -173.6 | -69.9 | -176.2 | 168.9 | 176.8 | 0 | 114.4 | S186 | S186-K188 PolarHBondContact O-N 3.26Š|
| 189 | S | 30.9 | Very low | 33.4 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 48% | 0.483 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -118.8 | 2.4 | -170.3 | 66.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 190 | F | 33.2 | Very low | 33.8 | Very low | 193 Ų | 193 | 126.2 Ų | 126.2 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -105.3 | 11.8 | -177.2 | -77.6 | -79.5 | 0 | 0 | 0 | 115.4 | ||
| 191 | I | 34.1 | Very low | 34.4 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | trans | -117.5 | 64.1 | 174.1 | -49.4 | 178 | 0 | 0 | 0 | 107.6 | L106 | L106-I191 HydrophobicContact CD2-CD1 3.9Å; L106-I191 HydrophobicContact CD2-CG2 3.7Å | ||
| 192 | S | 29.6 | Very low | 35.3 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 53% | 0.531 | 69% | 0.687 | S | S | . | * | trans | -107.9 | 124.2 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 193 | H | 34 | Very low | 36.8 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | 92.4 | 65.1 | 165.1 | -40.3 | -61.9 | 0 | 0 | 0 | 118.2 | ||||
| 194 | S | 33.8 | Very low | 38.9 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | trans | -96.1 | 112.1 | 143 | -77 | 0 | 0 | 0 | 0 | 109 | ||||
| 195 | P | 34.9 | Very low | 41.5 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 51% | 0.506 | 62% | 0.623 | S | S | . | * | trans | -81.5 | 130.7 | -178.7 | 31.6 | -29.6 | 0 | 0 | 0 | 111.6 | ||||
| 196 | L | 36.8 | Very low | 44.2 | Very low | 171 Ų | 171 | 117.8 Ų | 117.8 | 90% | 0.895 | 60% | 0.595 | S | S | * | * | trans | 48.3 | 68.9 | 143.3 | -57.2 | 169.8 | 0 | 0 | 0 | 118.6 | ||||
| 197 | I | 41.8 | Very low | 46.8 | Very low | 78 Ų | 78 | 117.3 Ų | 117.3 | 40% | 0.4 | 59% | 0.589 | S | S | . | * | trans | -92.9 | 141.2 | 149.2 | -64.6 | 167.4 | 0 | 0 | 0 | 107.2 | R199 F206 | I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 WeakPolarHBondContact O-CG 3.03Å; I197-R199 PolarHBondContact O-N 3.17Å; I197-F206 HydrophobicContact CD1-CD2 4.46Å; I197-F206 HydrophobicContact CD1-CE2 3.59Å; I197-F206 HydrophobicContact CD1-CZ 4.12Å | ||
| 198 | D | 37.3 | Very low | 49.4 | Very low | 127 Ų | 127 | 108.5 Ų | 108.5 | 68% | 0.679 | 54% | 0.543 | S | S | * | . | trans | -57.1 | 84.3 | -175.6 | -170.1 | 7.1 | 0 | 0 | 0 | 112.7 | K200 | D198-K200 PolarHBondContact O-N 2.98Å; D198-K200 VanDerWaalsContact O-N 3.09Å; D198-K200 PolarHBondContact OD1-N 3.4Å | ||
| 199 | R | 45.3 | Very low | 51.9 | Low | 204 Ų | 204 | 102.4 Ų | 102.4 | 77% | 0.77 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 1.2 | -178.4 | -77.3 | 177.6 | -177.6 | 161.8 | 2.9 | 113.4 | I197 | I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 WeakPolarHBondContact O-CG 3.03Å; I197-R199 PolarHBondContact O-N 3.17Å |
| 200 | K | 40.8 | Very low | 54.6 | Low | 187 Ų | 187 | 99.1 Ų | 99.1 | 81% | 0.813 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.9 | -168.8 | -81.7 | -176.7 | 174.2 | 177.6 | 0 | 115.2 | D198 | D198-K200 PolarHBondContact O-N 2.98Å; D198-K200 VanDerWaalsContact O-N 3.09Å; D198-K200 PolarHBondContact OD1-N 3.4Å |
| 201 | K | 45.2 | Very low | 57 | Low | 168 Ų | 168 | 94.3 Ų | 94.3 | 73% | 0.73 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -93.9 | -39.6 | -169.2 | -129.3 | 169.1 | -176.2 | 173.4 | 0 | 115.6 | ||
| 202 | H | 50.3 | Low | 58.5 | Low | 102 Ų | 102 | 93.1 Ų | 93.1 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | trans | -152.6 | 112.6 | 173.1 | -62.4 | -78.3 | 0 | 0 | 0 | 109.7 | S204 Q205 | H202-S204 PolarHBondContact O-N 2.83Å; H202-Q205 HydrophobicContact CB-CB 4.4Å; H202-Q205 HydrophobicContact CB-CG 3.82Å; H202-Q205 PolarHBondContact CD2-NE2 2.75Å; H202-Q205 PolarHBondContact CD2-OE1 2.77Å; H202-Q205 PolarHBondContact O-N 2.86Å | ||
| 203 | P | 60 | Low | 60.3 | Low | 69 Ų | 69 | 96 Ų | 96 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -8.8 | -173.9 | 24.8 | -33.7 | 0 | 0 | 0 | 114 | P111 | P111-P203 VanDerWaalsContact CG-O 3.25Å; P111-P203 WeakPolarHBondContact CG-O 3.49Å |
| 204 | S | 74.2 | Confident | 61.8 | Low | 22 Ų | 22 | 88.3 Ų | 88.3 | 15% | 0.154 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 12.1 | -177.9 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | V74 C75 R116 H202 | V74-S204 CarbonylContact C-O 3.58Å; V74-S204 WeakPolarHBondContact CA-O 3.25Å; C75-S204 PolarHBondContact N-O 2.79Å; R116-S204 VanDerWaalsContact NH2-CB 3.26Å; R116-S204 PolarHBondContact NH2-OG 3.05Å; R116-S204 VanDerWaalsContact NH2-OG 3.12Å; H202-S204 PolarHBondContact O-N 2.83Å |
| 205 | Q | 82.3 | Confident | 62.9 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.3 | 177.2 | 83.6 | -170.7 | 13.2 | 0 | 0 | 112.4 | I72 F73 H202 | I72-Q205 HydrophobicContact CG2-CB 4.47Å; F73-Q205 CarbonylContact O-C 3.53Å; F73-Q205 VanDerWaalsContact O-CA 3.23Å; F73-Q205 WeakPolarHBondContact O-CA 3.14Å; H202-Q205 HydrophobicContact CB-CB 4.4Å; H202-Q205 HydrophobicContact CB-CG 3.82Å; H202-Q205 PolarHBondContact CD2-NE2 2.75Å; H202-Q205 PolarHBondContact CD2-OE1 2.77Å; H202-Q205 PolarHBondContact O-N 2.86Å |
| 206 | F | 84.1 | Confident | 63.9 | Low | 19 Ų | 19 | 93.4 Ų | 93.4 | 8% | 0.083 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 126.2 | 173.7 | 177.2 | -91.4 | 0 | 0 | 0 | 109.4 | I72 F73 L107 L108 I197 L208 | I72-F206 CarbonylContact C-O 3.56Å; I72-F206 WeakPolarHBondContact CA-O 3.11Å; F73-F206 HydrophobicContact CD2-CD1 4.27Å; F73-F206 PolarHBondContact N-O 2.89Å; F73-F206 PolarHBondContact O-N 2.84Å; L107-F206 HydrophobicContact CD1-CE1 3.61Å; L107-F206 HydrophobicContact CD1-CZ 3.72Å; L107-F206 HydrophobicContact CD2-CD1 3.84Å; L107-F206 HydrophobicContact CD2-CE1 3.57Å; L107-F206 HydrophobicContact CD2-CZ 4.42Å; L107-F206 HydrophobicContact CG-CD1 4.08Å; L107-F206 HydrophobicContact CG-CE1 3.53Å; L107-F206 HydrophobicContact CG-CZ 3.89Å; L108-F206 HydrophobicContact CD1-CB 4.38Å; L108-F206 HydrophobicContact CD1-CD2 4.24Å; L108-F206 HydrophobicContact CD2-CB 3.63Å; L108-F206 HydrophobicContact CD2-CG 4.4Å; L108-F206 HydrophobicContact CG-CB 4.44Å; I197-F206 HydrophobicContact CD1-CD2 4.46Å; I197-F206 HydrophobicContact CD1-CE2 3.59Å; I197-F206 HydrophobicContact CD1-CZ 4.12Å; F206-L208 HydrophobicContact CE1-CB 4Å; F206-L208 HydrophobicContact CE1-CD1 4.41Å |
| 207 | T | 86 | Confident | 65.4 | Low | 56 Ų | 56 | 89 Ų | 89 | 34% | 0.344 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.1 | 179 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | E70 I71 I72 | E70-T207 HydrophobicContact CB-CG2 4.04Å; E70-T207 HydrophobicContact CG-CG2 4.32Å; I71-T207 CarbonylContact O-C 3.55Å; I71-T207 WeakPolarHBondContact O-CA 3.21Å; I72-T207 HydrophobicContact CG1-CG2 4.07Å |
| 208 | L | 88 | Confident | 67 | Low | 1 Ų | 1 | 87.5 Ų | 87.5 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.6 | 175.3 | -179.5 | 66.2 | 0 | 0 | 0 | 108.3 | I71 F73 F206 N219 P220 F222 F230 | I71-L208 HydrophobicContact CB-CB 4.28Å; I71-L208 HydrophobicContact CD1-CD2 4.34Å; I71-L208 PolarHBondContact N-O 3.09Å; I71-L208 PolarHBondContact O-N 3.38Å; F73-L208 HydrophobicContact CE2-CD2 4.44Å; F206-L208 HydrophobicContact CE1-CB 4Å; F206-L208 HydrophobicContact CE1-CD1 4.41Å; L208-N219 HydrophobicContact CD1-CB 3.78Å; L208-P220 HydrophobicContact CD1-CG 4.32Å; L208-P220 HydrophobicContact CD2-CG 3.9Å; L208-F222 HydrophobicContact CD2-CE2 3.64Å; L208-F222 HydrophobicContact CD2-CZ 3.56Å; L208-F222 HydrophobicContact CG-CE2 3.99Å; L208-F222 HydrophobicContact CG-CZ 4.36Å; L208-F230 HydrophobicContact CD2-CE1 4.2Å; L208-F230 HydrophobicContact CD2-CZ 3.82Å |
| 209 | L | 87.8 | Confident | 69.4 | Low | 66 Ų | 66 | 82.7 Ų | 82.7 | 35% | 0.346 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 133.9 | 175.1 | -170.1 | 64.5 | 0 | 0 | 0 | 109.3 | K68 E70 E211 | K68-L209 WeakPolarHBondContact O-CD1 3.17Å; E70-L209 HydrophobicContact CG-CD1 4.05Å; L209-E211 HydrophobicContact CB-CG 4.31Å; L209-E211 HydrophobicContact CD2-CG 3.84Å; L209-E211 WeakPolarHBondContact CD2-OE1 3.29Å; L209-E211 HydrophobicContact CG-CG 3.8Å; L209-E211 PolarHBondContact O-N 3.33Å |
| 210 | V | 87 | Confident | 71.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | trans | -78 | 93.9 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | V65 K66 K68 D69 I71 F222 | V65-V210 HydrophobicContact CB-CG1 4.35Å; V65-V210 HydrophobicContact CB-CG2 3.95Å; V65-V210 HydrophobicContact CG1-CG2 4.33Å; V65-V210 HydrophobicContact CG2-CB 4.4Å; V65-V210 HydrophobicContact CG2-CG1 3.7Å; V65-V210 HydrophobicContact CG2-CG2 3.79Å; K66-V210 WeakPolarHBondContact O-CG1 3.14Å; K68-V210 PolarHBondContact N-O 2.81Å; D69-V210 HydrophobicContact CB-CB 4.38Å; D69-V210 HydrophobicContact CB-CG2 4.09Å; D69-V210 WeakPolarHBondContact O-CB 3.45Å; D69-V210 WeakPolarHBondContact O-CG2 3.04Å; D69-V210 PolarHBondContact O-N 2.91Å; I71-V210 HydrophobicContact CD1-CG2 3.5Å; I71-V210 HydrophobicContact CG1-CG2 3.95Å; V210-F222 HydrophobicContact CB-CD2 4.45Å; V210-F222 HydrophobicContact CG1-CB 3.8Å; V210-F222 HydrophobicContact CG1-CD2 4.18Å; V210-F222 HydrophobicContact CG1-CG 3.95Å; V210-F222 HydrophobicContact CG2-CD2 4.48Å | ||
| 211 | E | 83.2 | Confident | 73.9 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | trans | -125.7 | 152.5 | 177.7 | -61.3 | -171 | 148.8 | 0 | 0 | 111.3 | L209 F222 | L209-E211 HydrophobicContact CB-CG 4.31Å; L209-E211 HydrophobicContact CD2-CG 3.84Å; L209-E211 WeakPolarHBondContact CD2-OE1 3.29Å; L209-E211 HydrophobicContact CG-CG 3.8Å; L209-E211 PolarHBondContact O-N 3.33Å; E211-F222 PolarHBondContact O-N 3.15Å | ||
| 212 | E | 65.9 | Low | 76 | Confident | 105 Ų | 105 | 56.7 Ų | 56.7 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -75.8 | -28.2 | 176.5 | -168.4 | 170.2 | -173.9 | 0 | 0 | 112 | S221 | E212-S221 WeakPolarHBondContact O-CB 3.35Š|
| 213 | F | 67.9 | Low | 77.9 | Confident | 137 Ų | 137 | 53.3 Ų | 53.3 | 60% | 0.601 | 29% | 0.291 | S | S | * | . | trans | -113 | 40.2 | -170 | -57.7 | -71.7 | 0 | 0 | 0 | 114.1 | W215 | F213-W215 AromaticContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CZ2 4.08Å; F213-W215 AromaticContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CE1-CH2 4.11Å; F213-W215 PolarHBondContact O-N 3.49Å | ||
| 214 | A | 64.3 | Low | 79.2 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -74.4 | 14.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A216 N219 P220 | A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.34Å; A214-N219 HydrophobicContact CB-CB 4.26Å; A214-P220 VanDerWaalsContact CB-O 3.29Å; A214-P220 WeakPolarHBondContact CB-O 3.4Å |
| 215 | W | 56.8 | Low | 79.9 | Confident | 173 Ų | 173 | 57.1 Ų | 57.1 | 66% | 0.655 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -73.4 | -19.2 | -164.1 | -45.4 | -44.3 | 0 | 0 | 0 | 115.2 | F213 N217 S221 | F213-W215 AromaticContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CH2 3.58Å; F213-W215 HydrophobicContact CD1-CZ2 4.08Å; F213-W215 AromaticContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CD1-CZ3 3.97Å; F213-W215 HydrophobicContact CE1-CH2 4.11Å; F213-W215 PolarHBondContact O-N 3.49Å; W215-N217 PolarHBondContact O-N 3.39Å; W215-S221 PolarHBondContact NE1-OG 3.37Å |
| 216 | A | 57.7 | Low | 80.2 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 76% | 0.76 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -65.6 | -22.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A214 | A214-A216 VanDerWaalsContact C-N 3.34Å; A214-A216 PolarHBondContact O-N 3.34Å |
| 217 | N | 66.9 | Low | 80.5 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -119.5 | 5.8 | -168.6 | -63.5 | -17.9 | 0 | 0 | 0 | 114.8 | W215 N219 | W215-N217 PolarHBondContact O-N 3.39Å; N217-N219 PolarHBondContact O-N 2.87Å |
| 218 | G | 76 | Confident | 80.9 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 9.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W84 | W84-G218 PolarHBondContact NE1-O 3.47Š|
| 219 | N | 86.8 | Confident | 81.2 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 151.9 | 174.2 | -72 | -15.9 | 0 | 0 | 0 | 110.6 | L208 A214 N217 | L208-N219 HydrophobicContact CD1-CB 3.78Å; A214-N219 HydrophobicContact CB-CB 4.26Å; N217-N219 PolarHBondContact O-N 2.87Å |
| 220 | P | 90.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 141.6 | 171.9 | 27.8 | -33.7 | 0 | 0 | 0 | 110.9 | W84 L208 A214 F222 V228 F230 | W84-P220 HydrophobicContact CD2-CB 3.8Å; W84-P220 HydrophobicContact CD2-CG 4.16Å; W84-P220 HydrophobicContact CE3-CB 3.71Å; W84-P220 HydrophobicContact CG-CB 4.41Å; W84-P220 HydrophobicContact CG-CG 4.3Å; W84-P220 HydrophobicContact CH2-CB 4.2Å; W84-P220 HydrophobicContact CZ2-CB 4.27Å; W84-P220 HydrophobicContact CZ3-CB 3.94Å; L208-P220 HydrophobicContact CD1-CG 4.32Å; L208-P220 HydrophobicContact CD2-CG 3.9Å; A214-P220 VanDerWaalsContact CB-O 3.29Å; A214-P220 WeakPolarHBondContact CB-O 3.4Å; P220-F222 HydrophobicContact CG-CE2 4.2Å; P220-F222 HydrophobicContact CG-CZ 4.28Å; P220-V228 HydrophobicContact CB-CG1 3.62Å; P220-V228 HydrophobicContact CB-CG2 4.34Å; P220-V228 HydrophobicContact CG-CG1 4.06Å; P220-F230 HydrophobicContact CG-CE1 4.3Å; P220-F230 HydrophobicContact CG-CZ 3.95Å |
| 221 | S | 90.5 | Very high | 82 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -84 | 150.7 | 164 | 48 | 0 | 0 | 0 | 0 | 110.2 | Y86 E212 W215 P223 V228 | Y86-S221 PolarHBondContact OH-N 3.14Å; Y86-S221 PolarHBondContact OH-O 3.42Å; Y86-S221 VanDerWaalsContact OH-O 3.07Å; Y86-S221 PolarHBondContact OH-OG 3.46Å; E212-S221 WeakPolarHBondContact O-CB 3.35Å; W215-S221 PolarHBondContact NE1-OG 3.37Å; S221-P223 WeakPolarHBondContact O-CD 3.37Å; S221-V228 WeakPolarHBondContact O-CG2 3.32Å |
| 222 | F | 90.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -113 | 72.8 | 178.8 | -68.4 | -90.9 | 0 | 0 | 0 | 112.1 | I71 L208 V210 E211 P220 V228 F230 I246 N248 | I71-F222 HydrophobicContact CD1-CE1 4.22Å; I71-F222 HydrophobicContact CD1-CE2 4.42Å; I71-F222 HydrophobicContact CD1-CZ 3.8Å; L208-F222 HydrophobicContact CD2-CE2 3.64Å; L208-F222 HydrophobicContact CD2-CZ 3.56Å; L208-F222 HydrophobicContact CG-CE2 3.99Å; L208-F222 HydrophobicContact CG-CZ 4.36Å; V210-F222 HydrophobicContact CB-CD2 4.45Å; V210-F222 HydrophobicContact CG1-CB 3.8Å; V210-F222 HydrophobicContact CG1-CD2 4.18Å; V210-F222 HydrophobicContact CG1-CG 3.95Å; V210-F222 HydrophobicContact CG2-CD2 4.48Å; E211-F222 PolarHBondContact O-N 3.15Å; P220-F222 HydrophobicContact CG-CE2 4.2Å; P220-F222 HydrophobicContact CG-CZ 4.28Å; F222-V228 HydrophobicContact CD1-CB 4.29Å; F222-V228 HydrophobicContact CD1-CG2 3.6Å; F222-V228 HydrophobicContact CE1-CB 3.85Å; F222-V228 HydrophobicContact CE1-CG2 3.63Å; F222-V228 HydrophobicContact CG-CG2 4.26Å; F222-V228 HydrophobicContact CZ-CB 4.5Å; F222-V228 HydrophobicContact CZ-CG2 4.33Å; F222-F230 HydrophobicContact CE1-CE2 4.44Å; F222-F230 HydrophobicContact CZ-CE2 4.35Å; F222-F230 HydrophobicContact CZ-CZ 4.08Å; F222-I246 HydrophobicContact CD1-CG2 4.26Å; F222-I246 HydrophobicContact CE1-CB 3.97Å; F222-I246 HydrophobicContact CE1-CG2 3.65Å; F222-I246 HydrophobicContact CZ-CG2 4.5Å; F222-N248 HydrophobicContact CB-CB 4.13Å; F222-N248 PolarHBondContact O-ND2 3.15Å | ||
| 223 | P | 88.7 | Confident | 83.8 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | trans | -62.4 | 147.8 | 174.1 | 19.6 | -22.6 | 0 | 0 | 0 | 111 | S221 N225 R226 | S221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-N225 PolarHBondContact O-N 3.2Å; P223-R226 HydrophobicContact CB-CB 4.44Å; P223-R226 HydrophobicContact CG-CB 3.96Å; P223-R226 HydrophobicContact CG-CG 4.34Å; P223-R226 PolarHBondContact O-N 3.09Å | ||
| 224 | V | 88.4 | Confident | 84.9 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -59.7 | 134.4 | -177.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | R226 N248 | V224-R226 PolarHBondContact O-N 3.46Å; V224-R226 VanDerWaalsContact O-N 3.11Å; V224-N248 CarbonylContact C-O 3.54Å |
| 225 | N | 87.9 | Confident | 86.3 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 17.3 | 178.7 | -54.5 | -21.8 | 0 | 0 | 0 | 115.1 | P223 N248 D250 F251 | P223-N225 PolarHBondContact O-N 3.2Å; N225-N248 PolarHBondContact N-O 2.72Å; N225-D250 VanDerWaalsContact CG-O 3.3Å; N225-D250 PolarHBondContact OD1-N 3.29Å; N225-D250 PolarHBondContact OD1-O 3.46Å; N225-F251 WeakPolarHBondContact O-CD2 3.27Å |
| 226 | R | 88.6 | Confident | 88 | Confident | 118 Ų | 118 | 37.1 Ų | 37.1 | 45% | 0.445 | 23% | 0.226 | S | C | . | . | trans | -116.4 | 120.6 | 172.5 | -176.9 | 179.3 | -174.7 | -173.7 | 2.1 | 110 | P223 V224 | P223-R226 HydrophobicContact CB-CB 4.44Å; P223-R226 HydrophobicContact CG-CB 3.96Å; P223-R226 HydrophobicContact CG-CG 4.34Å; P223-R226 PolarHBondContact O-N 3.09Å; V224-R226 PolarHBondContact O-N 3.46Å; V224-R226 VanDerWaalsContact O-N 3.11Å | ||
| 227 | P | 91.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 144.6 | -179.9 | 30.1 | -34.4 | 0 | 0 | 0 | 111.2 | Y229 I246 V247 F251 | P227-Y229 HydrophobicContact CB-CE1 3.98Å; P227-Y229 HydrophobicContact CB-CE2 4.36Å; P227-Y229 HydrophobicContact CG-CE1 4.1Å; P227-Y229 HydrophobicContact CG-CE2 3.92Å; P227-Y229 VanDerWaalsContact CG-CZ 3.46Å; P227-Y229 WeakPolarHBondContact CG-OH 3.44Å; P227-I246 CarbonylContact C-O 3.59Å; P227-I246 WeakPolarHBondContact CA-O 3.38Å; P227-V247 HydrophobicContact CB-CB 4.31Å; P227-F251 HydrophobicContact CG-CD2 4.07Å; P227-F251 HydrophobicContact CG-CE1 4.1Å; P227-F251 HydrophobicContact CG-CE2 3.62Å; P227-F251 HydrophobicContact CG-CG 4.5Å; P227-F251 HydrophobicContact CG-CZ 3.63Å |
| 228 | V | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.5 | 164.2 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | W84 Y86 P220 S221 F222 F230 I246 | W84-V228 HydrophobicContact CE3-CG1 4.29Å; Y86-V228 HydrophobicContact CD1-CG2 4.3Å; Y86-V228 HydrophobicContact CE1-CG2 3.79Å; P220-V228 HydrophobicContact CB-CG1 3.62Å; P220-V228 HydrophobicContact CB-CG2 4.34Å; P220-V228 HydrophobicContact CG-CG1 4.06Å; S221-V228 WeakPolarHBondContact O-CG2 3.32Å; F222-V228 HydrophobicContact CD1-CB 4.29Å; F222-V228 HydrophobicContact CD1-CG2 3.6Å; F222-V228 HydrophobicContact CE1-CB 3.85Å; F222-V228 HydrophobicContact CE1-CG2 3.63Å; F222-V228 HydrophobicContact CG-CG2 4.26Å; F222-V228 HydrophobicContact CZ-CB 4.5Å; F222-V228 HydrophobicContact CZ-CG2 4.33Å; V228-F230 HydrophobicContact CB-CE2 3.93Å; V228-F230 HydrophobicContact CB-CZ 4.46Å; V228-F230 HydrophobicContact CG1-CD2 4.35Å; V228-F230 HydrophobicContact CG1-CE2 3.59Å; V228-F230 HydrophobicContact CG1-CZ 3.76Å; V228-I246 PolarHBondContact N-O 3.32Å; V228-I246 PolarHBondContact O-N 3.21Å |
| 229 | Y | 94.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.3 | -178.4 | -61 | -66.7 | 0 | 0 | 0 | 110.4 | W84 T85 F88 F91 P227 | W84-Y229 CarbonylContact C-O 3.47Å; W84-Y229 WeakPolarHBondContact CA-O 3.23Å; T85-Y229 PolarHBondContact N-O 3.42Å; T85-Y229 WeakPolarHBondContact O-CB 3.44Å; T85-Y229 PolarHBondContact O-N 3.04Å; F88-Y229 HydrophobicContact CB-CE2 3.86Å; F88-Y229 HydrophobicContact CD2-CE1 4Å; F88-Y229 HydrophobicContact CD2-CE2 4.18Å; F88-Y229 AromaticContact CD2-CZ 3.62Å; F88-Y229 WeakPolarHBondContact CD2-OH 3.47Å; F91-Y229 HydrophobicContact CB-CD1 4.19Å; F91-Y229 HydrophobicContact CB-CD2 4.21Å; F91-Y229 HydrophobicContact CB-CG 3.79Å; F91-Y229 AromaticContact CD1-CD1 3.63Å; F91-Y229 HydrophobicContact CD1-CD1 3.63Å; F91-Y229 AromaticContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CE1 3.93Å; F91-Y229 HydrophobicContact CD1-CG 4.14Å; F91-Y229 AromaticContact CD2-CD1 3.76Å; F91-Y229 HydrophobicContact CD2-CD1 3.76Å; F91-Y229 AromaticContact CD2-CG 3.89Å; F91-Y229 HydrophobicContact CD2-CG 3.89Å; F91-Y229 AromaticContact CE1-CD1 3.71Å; F91-Y229 HydrophobicContact CE1-CD1 3.71Å; F91-Y229 AromaticContact CE1-CE1 3.92Å; F91-Y229 HydrophobicContact CE1-CE1 3.92Å; F91-Y229 AromaticContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CD1 3.78Å; F91-Y229 HydrophobicContact CE2-CG 4.33Å; F91-Y229 AromaticContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD1 3.6Å; F91-Y229 HydrophobicContact CG-CD2 4.5Å; F91-Y229 HydrophobicContact CG-CE1 4.34Å; F91-Y229 AromaticContact CG-CG 3.7Å; F91-Y229 HydrophobicContact CG-CG 3.7Å; F91-Y229 AromaticContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CD1 3.72Å; F91-Y229 HydrophobicContact CZ-CE1 4.27Å; P227-Y229 HydrophobicContact CB-CE1 3.98Å; P227-Y229 HydrophobicContact CB-CE2 4.36Å; P227-Y229 HydrophobicContact CG-CE1 4.1Å; P227-Y229 HydrophobicContact CG-CE2 3.92Å; P227-Y229 VanDerWaalsContact CG-CZ 3.46Å; P227-Y229 WeakPolarHBondContact CG-OH 3.44Å |
| 230 | F | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.6 | 175.3 | -63 | -96 | 0 | 0 | 0 | 109.3 | W48 F73 I82 L83 W84 L107 L208 P220 F222 V228 R243 L244 I246 | W48-F230 HydrophobicContact CH2-CB 3.82Å; W48-F230 HydrophobicContact CZ3-CB 4.26Å; F73-F230 HydrophobicContact CE1-CD1 4.47Å; F73-F230 HydrophobicContact CE2-CD1 4.46Å; F73-F230 HydrophobicContact CE2-CE1 4.22Å; F73-F230 AromaticContact CZ-CD1 3.79Å; F73-F230 HydrophobicContact CZ-CD1 3.79Å; F73-F230 AromaticContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CE1 3.92Å; F73-F230 HydrophobicContact CZ-CG 4.14Å; F73-F230 HydrophobicContact CZ-CZ 4.37Å; I82-F230 HydrophobicContact CG2-CD1 4.19Å; L83-F230 CarbonylContact O-C 3.47Å; L83-F230 VanDerWaalsContact O-CA 3.24Å; L83-F230 WeakPolarHBondContact O-CA 3.4Å; W84-F230 HydrophobicContact CB-CD1 3.85Å; W84-F230 HydrophobicContact CB-CE1 3.84Å; W84-F230 HydrophobicContact CB-CZ 4.5Å; L107-F230 HydrophobicContact CD2-CD1 4.38Å; L107-F230 HydrophobicContact CD2-CE1 3.94Å; L208-F230 HydrophobicContact CD2-CE1 4.2Å; L208-F230 HydrophobicContact CD2-CZ 3.82Å; P220-F230 HydrophobicContact CG-CE1 4.3Å; P220-F230 HydrophobicContact CG-CZ 3.95Å; F222-F230 HydrophobicContact CE1-CE2 4.44Å; F222-F230 HydrophobicContact CZ-CE2 4.35Å; F222-F230 HydrophobicContact CZ-CZ 4.08Å; V228-F230 HydrophobicContact CB-CE2 3.93Å; V228-F230 HydrophobicContact CB-CZ 4.46Å; V228-F230 HydrophobicContact CG1-CD2 4.35Å; V228-F230 HydrophobicContact CG1-CE2 3.59Å; V228-F230 HydrophobicContact CG1-CZ 3.76Å; F230-R243 CarbonylContact O-C 3.59Å; F230-R243 WeakPolarHBondContact O-CA 3.3Å; F230-R243 WeakPolarHBondContact O-CB 3.11Å; F230-L244 PolarHBondContact N-O 3.08Å; F230-L244 PolarHBondContact O-N 2.68Å; F230-I246 HydrophobicContact CD2-CB 4.49Å; F230-I246 HydrophobicContact CD2-CD1 3.8Å; F230-I246 HydrophobicContact CD2-CG1 3.86Å; F230-I246 HydrophobicContact CE2-CB 4.08Å; F230-I246 HydrophobicContact CE2-CD1 3.53Å; F230-I246 HydrophobicContact CE2-CG1 3.79Å; F230-I246 HydrophobicContact CZ-CD1 4.28Å |
| 231 | L | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.6 | -179.8 | 63.6 | 159.6 | 0 | 0 | 0 | 111.5 | L83 T85 V104 R243 | L83-L231 HydrophobicContact CB-CD2 4.2Å; L83-L231 HydrophobicContact CB-CG 4.19Å; L83-L231 WeakPolarHBondContact CB-O 3.39Å; L83-L231 PolarHBondContact N-O 3.01Å; L83-L231 PolarHBondContact O-N 3.35Å; T85-L231 HydrophobicContact CG2-CD2 4.11Å; V104-L231 HydrophobicContact CG1-CD2 4.31Å; L231-R243 HydrophobicContact CB-CB 4.06Å |
| 232 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -76.1 | 174.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W48 I80 Y81 V236 M242 | W48-A232 HydrophobicContact CZ2-CB 4.42Å; I80-A232 HydrophobicContact CG2-CB 4.29Å; Y81-A232 WeakPolarHBondContact O-CA 3.22Å; A232-V236 HydrophobicContact CB-CB 3.89Å; A232-V236 HydrophobicContact CB-CG1 3.94Å; A232-M242 HydrophobicContact CB-CB 3.96Å; A232-M242 HydrophobicContact CB-CG 3.94Å; A232-M242 HydrophobicContact CB-SD 3.63Å; A232-M242 PolarHBondContact N-O 3.38Å | ||
| 233 | Q | 92.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | trans | -53.2 | 150.5 | 169.7 | 59.7 | -121.6 | 26.5 | 0 | 0 | 112.1 | Y81 S235 V236 C237 | Y81-Q233 HydrophobicContact CD2-CB 4.16Å; Q233-S235 VanDerWaalsContact C-N 3.27Å; Q233-S235 PolarHBondContact O-N 2.87Å; Q233-V236 HydrophobicContact CG-CB 4.25Å; Q233-V236 HydrophobicContact CG-CG2 3.79Å; Q233-V236 PolarHBondContact O-N 3.41Å; Q233-C237 PolarHBondContact O-N 3.39Å | ||
| 234 | P | 93 | Very high | 92.7 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 26% | 0.26 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -49.4 | -42.2 | -170.7 | -32.3 | 36.1 | 0 | 0 | 0 | 114.9 | C94 M96 V236 C237 H238 | C94-P234 WeakPolarHBondContact O-CB 3.08Å; M96-P234 HydrophobicContact CG-CG 3.76Å; M96-P234 HydrophobicContact SD-CG 4.12Å; P234-V236 VanDerWaalsContact C-N 3.32Å; P234-V236 PolarHBondContact O-N 3.2Å; P234-C237 PolarHBondContact O-N 3.07Å; P234-H238 WeakPolarHBondContact O-CB 3.37Å; P234-H238 PolarHBondContact O-CD2 2.86Å; P234-H238 PolarHBondContact O-N 3.23Å |
| 235 | S | 92.8 | Very high | 93 | Very high | 82 Ų | 82 | 38.4 Ų | 38.4 | 57% | 0.573 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -60.6 | -38.3 | 179.6 | 56 | 0 | 0 | 0 | 0 | 113.6 | Q233 S239 | Q233-S235 VanDerWaalsContact C-N 3.27Å; Q233-S235 PolarHBondContact O-N 2.87Å; S235-S239 WeakPolarHBondContact O-CB 3.27Å; S235-S239 PolarHBondContact O-N 3.37Å; S235-S239 PolarHBondContact O-OG 2.83Å |
| 236 | V | 93.2 | Very high | 93.2 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -84 | -39.8 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | P50 A232 Q233 P234 H238 S239 R240 M242 | P50-V236 HydrophobicContact CB-CG1 4.27Å; P50-V236 HydrophobicContact CG-CG1 3.74Å; A232-V236 HydrophobicContact CB-CB 3.89Å; A232-V236 HydrophobicContact CB-CG1 3.94Å; Q233-V236 HydrophobicContact CG-CB 4.25Å; Q233-V236 HydrophobicContact CG-CG2 3.79Å; Q233-V236 PolarHBondContact O-N 3.41Å; P234-V236 VanDerWaalsContact C-N 3.32Å; P234-V236 PolarHBondContact O-N 3.2Å; V236-H238 VanDerWaalsContact C-N 3.35Å; V236-H238 PolarHBondContact O-N 3.06Å; V236-S239 PolarHBondContact O-N 3.31Å; V236-R240 HydrophobicContact CG1-CB 4.45Å; V236-R240 WeakPolarHBondContact O-CB 3.46Å; V236-R240 PolarHBondContact O-N 3.36Å; V236-M242 HydrophobicContact CG1-CB 3.95Å; V236-M242 HydrophobicContact CG1-CG 4.41Å; V236-M242 HydrophobicContact CG1-SD 3.53Å; V236-M242 VanDerWaalsContact CG1-SD 3.53Å |
| 237 | C | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | C94 Q233 P234 N241 | C94-C237 HydrophobicContact CB-CB 3.58Å; C94-C237 WeakPolarHBondContact CB-SG 2.86Å; C94-C237 WeakPolarHBondContact SG-CB 3.26Å; C94-C237 CovalentContact SG-SG 2.04Å; C94-C237 PolarHBondContact SG-SG 3.37Å; Q233-C237 PolarHBondContact O-N 3.39Å; P234-C237 PolarHBondContact O-N 3.07Å; C237-N241 WeakPolarHBondContact O-CA 3.44Å; C237-N241 PolarHBondContact O-N 2.97Å |
| 238 | H | 92.7 | Very high | 93.3 | Very high | 124 Ų | 124 | 29 Ų | 29 | 57% | 0.574 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -69.2 | -47.2 | 178.3 | -76 | -62.6 | 0 | 0 | 0 | 113.6 | S93 P234 V236 | S93-H238 PolarHBondContact O-CE1 3.48Å; S93-H238 PolarHBondContact O-NE2 3.41Å; P234-H238 WeakPolarHBondContact O-CB 3.37Å; P234-H238 PolarHBondContact O-CD2 2.86Å; P234-H238 PolarHBondContact O-N 3.23Å; V236-H238 VanDerWaalsContact C-N 3.35Å; V236-H238 PolarHBondContact O-N 3.06Å |
| 239 | S | 92.8 | Very high | 92.9 | Very high | 85 Ų | 85 | 30.3 Ų | 30.3 | 59% | 0.594 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -76.7 | -29.2 | -172.5 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | S235 V236 | S235-S239 WeakPolarHBondContact O-CB 3.27Å; S235-S239 PolarHBondContact O-N 3.37Å; S235-S239 PolarHBondContact O-OG 2.83Å; V236-S239 PolarHBondContact O-N 3.31Å |
| 240 | R | 92.2 | Very high | 92.1 | Very high | 122 Ų | 122 | 35 Ų | 35 | 46% | 0.46 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -124.2 | 7.3 | -171.9 | -60.8 | -65.8 | -166.4 | 126.5 | 4.1 | 113.7 | P50 D51 V236 M242 | P50-R240 HydrophobicContact CB-CB 3.72Å; P50-R240 HydrophobicContact CB-CG 3.69Å; D51-R240 IonicContact OD1-CZ 3.66Å; D51-R240 IonicContact OD1-NH1 2.74Å; D51-R240 PolarHBondContact OD1-NH1 3.48Å; D51-R240 IonicContact OD1-NH2 3.89Å; V236-R240 HydrophobicContact CG1-CB 4.45Å; V236-R240 WeakPolarHBondContact O-CB 3.46Å; V236-R240 PolarHBondContact O-N 3.36Å; R240-M242 PolarHBondContact O-N 2.93Å; R240-M242 VanDerWaalsContact O-N 3.09Å |
| 241 | N | 92.6 | Very high | 90.9 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | trans | 50.8 | 34.6 | -177.9 | -172.9 | 51.7 | 0 | 0 | 0 | 112.3 | F55 T57 C237 R243 | F55-N241 WeakPolarHBondContact O-CB 3.48Å; F55-N241 PolarHBondContact O-ND2 3.19Å; F55-N241 VanDerWaalsContact O-ND2 3.08Å; T57-N241 PolarHBondContact O-ND2 3.01Å; C237-N241 WeakPolarHBondContact O-CA 3.44Å; C237-N241 PolarHBondContact O-N 2.97Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3.39Å; N241-R243 PolarHBondContact OD1-NE 3.47Å; N241-R243 PolarHBondContact OD1-NH2 2.79Å | ||
| 242 | M | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -80 | 78.1 | -173.2 | -166.3 | -176 | -170.2 | 0 | 0 | 110.7 | W48 D49 P50 F55 I80 A232 V236 R240 | W48-M242 HydrophobicContact CB-CE 4.08Å; W48-M242 HydrophobicContact CD2-CE 3.68Å; W48-M242 HydrophobicContact CG-CE 3.41Å; W48-M242 VanDerWaalsContact CG-CE 3.41Å; W48-M242 WeakPolarHBondContact O-CE 3.34Å; D49-M242 VanDerWaalsContact N-CE 3.26Å; P50-M242 HydrophobicContact CB-SD 4.36Å; P50-M242 HydrophobicContact CG-CE 4.44Å; P50-M242 HydrophobicContact CG-SD 3.76Å; F55-M242 HydrophobicContact CD1-CG 4.34Å; F55-M242 HydrophobicContact CD2-CG 3.98Å; F55-M242 HydrophobicContact CE1-CG 4.35Å; F55-M242 HydrophobicContact CE2-CE 4.02Å; F55-M242 HydrophobicContact CE2-CG 3.99Å; F55-M242 HydrophobicContact CG-CB 4.47Å; F55-M242 HydrophobicContact CG-CG 4.16Å; F55-M242 HydrophobicContact CZ-CE 4.49Å; F55-M242 HydrophobicContact CZ-CG 4.17Å; I80-M242 HydrophobicContact CD1-CE 4.36Å; I80-M242 HydrophobicContact CD1-SD 4.25Å; I80-M242 HydrophobicContact CG2-CE 4.33Å; I80-M242 HydrophobicContact CG2-SD 4.25Å; A232-M242 HydrophobicContact CB-CB 3.96Å; A232-M242 HydrophobicContact CB-CG 3.94Å; A232-M242 HydrophobicContact CB-SD 3.63Å; A232-M242 PolarHBondContact N-O 3.38Å; V236-M242 HydrophobicContact CG1-CB 3.95Å; V236-M242 HydrophobicContact CG1-CG 4.41Å; V236-M242 HydrophobicContact CG1-SD 3.53Å; V236-M242 VanDerWaalsContact CG1-SD 3.53Å; R240-M242 PolarHBondContact O-N 2.93Å; R240-M242 VanDerWaalsContact O-N 3.09Å | ||
| 243 | R | 94.4 | Very high | 87.6 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 153.4 | -177.9 | 54.7 | 172.1 | 175.5 | -170.8 | 2.4 | 110.4 | V60 P61 F91 E92 F230 L231 N241 | V60-R243 HydrophobicContact CG1-CG 3.78Å; V60-R243 WeakPolarHBondContact CG1-O 3.47Å; V60-R243 HydrophobicContact CG2-CG 4.39Å; P61-R243 VanDerWaalsContact CG-O 3.3Å; P61-R243 WeakPolarHBondContact CG-O 3.4Å; F91-R243 HydrophobicContact CD2-CB 4.05Å; F91-R243 HydrophobicContact CE2-CB 3.64Å; F91-R243 HydrophobicContact CE2-CG 4.02Å; F91-R243 HydrophobicContact CZ-CB 4.49Å; F91-R243 HydrophobicContact CZ-CG 4.43Å; F91-R243 PolarHBondContact O-NH1 2.82Å; E92-R243 VanDerWaalsContact C-NH1 3.35Å; E92-R243 PolarHBondContact O-NH1 3.24Å; F230-R243 CarbonylContact O-C 3.59Å; F230-R243 WeakPolarHBondContact O-CA 3.3Å; F230-R243 WeakPolarHBondContact O-CB 3.11Å; L231-R243 HydrophobicContact CB-CB 4.06Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3.39Å; N241-R243 PolarHBondContact OD1-NE 3.47Å; N241-R243 PolarHBondContact OD1-NH2 2.79Å |
| 244 | L | 93.7 | Very high | 85.6 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 134.3 | -174 | 169.4 | 72.1 | 0 | 0 | 0 | 110 | I46 F55 P61 L63 F230 I246 | I46-L244 HydrophobicContact CD1-CD2 3.45Å; I46-L244 VanDerWaalsContact CD1-CD2 3.45Å; I46-L244 HydrophobicContact CG1-CD2 4.32Å; I46-L244 HydrophobicContact CG2-CD2 4.5Å; F55-L244 HydrophobicContact CE1-CB 4.42Å; P61-L244 HydrophobicContact CB-CD1 3.51Å; P61-L244 HydrophobicContact CG-CB 4.23Å; P61-L244 HydrophobicContact CG-CD1 3.73Å; P61-L244 WeakPolarHBondContact O-CD1 3.25Å; L63-L244 HydrophobicContact CB-CD1 4.28Å; F230-L244 PolarHBondContact N-O 3.08Å; F230-L244 PolarHBondContact O-N 2.68Å; L244-I246 HydrophobicContact CD2-CD1 3.9Å; L244-I246 HydrophobicContact CD2-CG1 3.86Å; L244-I246 HydrophobicContact CG-CG1 3.96Å |
| 245 | G | 93.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 142.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P61 L62 L63 | P61-G245 PolarHBondContact O-N 3.39Å; L62-G245 CarbonylContact C-O 3.58Å; L62-G245 WeakPolarHBondContact CA-O 3.5Å; L63-G245 PolarHBondContact N-O 2.97Å |
| 246 | I | 93.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.3 | 170.5 | -54 | -173.3 | 0 | 0 | 0 | 108.3 | I46 L63 V65 I71 F73 F222 P227 V228 F230 L244 | I46-I246 HydrophobicContact CD1-CD1 4.22Å; L63-I246 HydrophobicContact CB-CG1 4.2Å; L63-I246 HydrophobicContact CB-CG2 4.5Å; L63-I246 HydrophobicContact CD2-CD1 4.33Å; L63-I246 CarbonylContact O-C 3.46Å; L63-I246 VanDerWaalsContact O-CA 3.29Å; L63-I246 WeakPolarHBondContact O-CA 3.29Å; V65-I246 HydrophobicContact CB-CG2 4.42Å; V65-I246 HydrophobicContact CG1-CG2 3.76Å; V65-I246 HydrophobicContact CG2-CG2 3.73Å; I71-I246 HydrophobicContact CD1-CD1 3.81Å; I71-I246 HydrophobicContact CD1-CG2 3.93Å; I71-I246 HydrophobicContact CG2-CD1 4.07Å; F73-I246 HydrophobicContact CZ-CD1 4.4Å; F222-I246 HydrophobicContact CD1-CG2 4.26Å; F222-I246 HydrophobicContact CE1-CB 3.97Å; F222-I246 HydrophobicContact CE1-CG2 3.65Å; F222-I246 HydrophobicContact CZ-CG2 4.5Å; P227-I246 CarbonylContact C-O 3.59Å; P227-I246 WeakPolarHBondContact CA-O 3.38Å; V228-I246 PolarHBondContact N-O 3.32Å; V228-I246 PolarHBondContact O-N 3.21Å; F230-I246 HydrophobicContact CD2-CB 4.49Å; F230-I246 HydrophobicContact CD2-CD1 3.8Å; F230-I246 HydrophobicContact CD2-CG1 3.86Å; F230-I246 HydrophobicContact CE2-CB 4.08Å; F230-I246 HydrophobicContact CE2-CD1 3.53Å; F230-I246 HydrophobicContact CE2-CG1 3.79Å; F230-I246 HydrophobicContact CZ-CD1 4.28Å; L244-I246 HydrophobicContact CD2-CD1 3.9Å; L244-I246 HydrophobicContact CD2-CG1 3.86Å; L244-I246 HydrophobicContact CG-CG1 3.96Å |
| 247 | V | 92.4 | Very high | 78.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.4 | -179.2 | 66 | 0 | 0 | 0 | 0 | 112.4 | L62 L63 R64 V65 P227 F251 | L62-V247 HydrophobicContact CD1-CG1 4.13Å; L62-V247 HydrophobicContact CD2-CG1 4.39Å; L62-V247 HydrophobicContact CG-CG1 4.3Å; L63-V247 PolarHBondContact O-N 3.49Å; R64-V247 WeakPolarHBondContact CA-O 3.42Å; R64-V247 HydrophobicContact CG-CG1 4.06Å; V65-V247 WeakPolarHBondContact CG2-O 3.38Å; V65-V247 PolarHBondContact N-O 2.95Å; P227-V247 HydrophobicContact CB-CB 4.31Å; V247-F251 HydrophobicContact CB-CB 4.08Å; V247-F251 HydrophobicContact CG1-CB 3.73Å; V247-F251 HydrophobicContact CG2-CB 3.69Å; V247-F251 HydrophobicContact CG2-CG 4.31Å |
| 248 | N | 90.3 | Very high | 75.4 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.7 | 168 | 176.7 | 14.3 | 0 | 0 | 0 | 108.9 | V65 F222 V224 N225 | V65-N248 HydrophobicContact CG2-CB 4.39Å; V65-N248 WeakPolarHBondContact O-CA 3.41Å; F222-N248 HydrophobicContact CB-CB 4.13Å; F222-N248 PolarHBondContact O-ND2 3.15Å; V224-N248 CarbonylContact C-O 3.54Å; N225-N248 PolarHBondContact N-O 2.72Å |
| 249 | G | 83.9 | Confident | 73.2 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 93.9 | -150.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R64 | R64-G249 PolarHBondContact NH1-O 2.94Š|
| 250 | D | 77.4 | Confident | 71 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 59% | 0.594 | 31% | 0.314 | S | S | * | . | trans | -98.9 | 101.2 | -174.9 | -73.1 | -43.3 | 0 | 0 | 0 | 111.1 | R64 N225 | R64-D250 IonicContact CZ-OD1 3.94Å; R64-D250 IonicContact NH1-OD1 2.74Å; R64-D250 PolarHBondContact NH1-OD1 3.35Å; N225-D250 VanDerWaalsContact CG-O 3.3Å; N225-D250 PolarHBondContact OD1-N 3.29Å; N225-D250 PolarHBondContact OD1-O 3.46Å | ||
| 251 | F | 70.3 | Confident | 68.6 | Low | 28 Ų | 28 | 55.7 Ų | 55.7 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -95.5 | 117.7 | 172.2 | -170.4 | -113.7 | 0 | 0 | 0 | 110.8 | L62 N225 P227 V247 L254 | L62-F251 HydrophobicContact CD2-CD1 4.07Å; N225-F251 WeakPolarHBondContact O-CD2 3.27Å; P227-F251 HydrophobicContact CG-CD2 4.07Å; P227-F251 HydrophobicContact CG-CE1 4.1Å; P227-F251 HydrophobicContact CG-CE2 3.62Å; P227-F251 HydrophobicContact CG-CG 4.5Å; P227-F251 HydrophobicContact CG-CZ 3.63Å; V247-F251 HydrophobicContact CB-CB 4.08Å; V247-F251 HydrophobicContact CG1-CB 3.73Å; V247-F251 HydrophobicContact CG2-CB 3.69Å; V247-F251 HydrophobicContact CG2-CG 4.31Å; F251-L254 HydrophobicContact CE1-CD1 4.45Å; F251-L254 HydrophobicContact CE1-CG 4.36Å | ||
| 252 | T | 65 | Low | 66.5 | Low | 105 Ų | 105 | 62.6 Ų | 62.6 | 64% | 0.644 | 35% | 0.345 | S | S | * | . | trans | -105 | 1.3 | 174.5 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | L254 L255 | T252-L254 PolarHBondContact O-N 3.49Å; T252-L255 VanDerWaalsContact CA-CD1 3.46Å; T252-L255 HydrophobicContact CG2-CD1 4.09Å; T252-L255 WeakPolarHBondContact O-CB 3.43Å; T252-L255 WeakPolarHBondContact O-CD1 3.43Å; T252-L255 WeakPolarHBondContact O-CG 3.17Å; T252-L255 PolarHBondContact O-N 2.82Å | ||
| 253 | G | 55 | Low | 64.4 | Low | 46 Ų | 46 | 63.9 Ų | 63.9 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 22.5 | -156 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 254 | L | 52 | Low | 62.2 | Low | 81 Ų | 81 | 66.9 Ų | 66.9 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 14.5 | 163 | -74.6 | 165.4 | 0 | 0 | 0 | 111.9 | F88 F251 T252 S256 | F88-L254 HydrophobicContact CD1-CD2 4.02Å; F88-L254 HydrophobicContact CD2-CD1 3.72Å; F88-L254 HydrophobicContact CD2-CD2 4.33Å; F88-L254 HydrophobicContact CE1-CD1 4.4Å; F88-L254 HydrophobicContact CE1-CD2 3.46Å; F88-L254 VanDerWaalsContact CE1-CD2 3.46Å; F88-L254 HydrophobicContact CE2-CD1 3.14Å; F88-L254 HydrophobicContact CE2-CD2 3.82Å; F88-L254 HydrophobicContact CE2-CG 4.07Å; F88-L254 HydrophobicContact CG-CD2 4.43Å; F88-L254 HydrophobicContact CZ-CD1 3.54Å; F88-L254 HydrophobicContact CZ-CD2 3.34Å; F88-L254 HydrophobicContact CZ-CG 4.07Å; F251-L254 HydrophobicContact CE1-CD1 4.45Å; F251-L254 HydrophobicContact CE1-CG 4.36Å; T252-L254 PolarHBondContact O-N 3.49Å; L254-S256 PolarHBondContact O-N 2.86Å |
| 255 | L | 40.3 | Very low | 59.7 | Low | 86 Ų | 86 | 69.6 Ų | 69.6 | 45% | 0.45 | 39% | 0.389 | S | S | . | . | trans | -78.6 | 63.4 | -169.5 | -71 | 169.8 | 0 | 0 | 0 | 113 | T252 D257 V260 | T252-L255 VanDerWaalsContact CA-CD1 3.46Å; T252-L255 HydrophobicContact CG2-CD1 4.09Å; T252-L255 WeakPolarHBondContact O-CB 3.43Å; T252-L255 WeakPolarHBondContact O-CD1 3.43Å; T252-L255 WeakPolarHBondContact O-CG 3.17Å; T252-L255 PolarHBondContact O-N 2.82Å; L255-D257 VanDerWaalsContact CD2-O 3.28Å; L255-D257 WeakPolarHBondContact CD2-O 3.24Å; L255-V260 HydrophobicContact CD2-CB 3.59Å; L255-V260 HydrophobicContact CD2-CG1 4.17Å; L255-V260 HydrophobicContact CD2-CG2 3.32Å; L255-V260 HydrophobicContact CG-CG2 4.42Å | ||
| 256 | S | 36.2 | Very low | 57.4 | Low | 124 Ų | 124 | 72.9 Ų | 72.9 | 87% | 0.867 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -86.7 | 15.3 | 140.6 | 54 | 0 | 0 | 0 | 0 | 111.4 | L254 | L254-S256 PolarHBondContact O-N 2.86Š|
| 257 | D | 43.3 | Very low | 55.1 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | trans | -130.8 | 111.4 | -176.5 | -163.7 | -24.9 | 0 | 0 | 0 | 112.1 | L255 Y259 | L255-D257 VanDerWaalsContact CD2-O 3.28Å; L255-D257 WeakPolarHBondContact CD2-O 3.24Å; D257-Y259 PolarHBondContact O-N 3.32Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.35Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.31Å; D257-Y259 PolarHBondContact OD1-N 2.94Å | ||
| 258 | P | 38.9 | Very low | 52.5 | Low | 116 Ų | 116 | 80.9 Ų | 80.9 | 75% | 0.753 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 3.4 | 176.7 | 26.6 | -31.9 | 0 | 0 | 0 | 114.8 | ||
| 259 | Y | 45.4 | Very low | 50.1 | Low | 158 Ų | 158 | 84.4 Ų | 84.4 | 62% | 0.62 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5.9 | -175.5 | -64.4 | -70.1 | 0 | 0 | 0 | 116.5 | D257 N261 R262 | D257-Y259 PolarHBondContact O-N 3.32Å; D257-Y259 WeakPolarHBondContact OD1-CB 3.35Å; D257-Y259 WeakPolarHBondContact OD1-CD2 3.31Å; D257-Y259 PolarHBondContact OD1-N 2.94Å; Y259-N261 PolarHBondContact O-N 3.32Å; Y259-R262 PolarHBondContact O-N 2.95Å |
| 260 | V | 47 | Very low | 48 | Very low | 38 Ų | 38 | 86.3 Ų | 86.3 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -9.1 | -176.2 | 172.8 | 0 | 0 | 0 | 0 | 114.9 | L62 L255 | L62-V260 HydrophobicContact CD2-CG1 3.99Å; L255-V260 HydrophobicContact CD2-CB 3.59Å; L255-V260 HydrophobicContact CD2-CG1 4.17Å; L255-V260 HydrophobicContact CD2-CG2 3.32Å; L255-V260 HydrophobicContact CG-CG2 4.42Å |
| 261 | N | 43.4 | Very low | 46.2 | Very low | 113 Ų | 113 | 84.4 Ų | 84.4 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.3 | -179.5 | -71 | -22.7 | 0 | 0 | 0 | 115.7 | Y259 F263 | Y259-N261 PolarHBondContact O-N 3.32Å; N261-F263 VanDerWaalsContact C-N 3.31Å; N261-F263 PolarHBondContact O-N 2.75Å |
| 262 | R | 47 | Very low | 44.4 | Very low | 168 Ų | 168 | 87.4 Ų | 87.4 | 63% | 0.634 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.7 | -19.8 | -175.8 | -143.9 | 176.6 | -172.5 | 171.6 | -0 | 114.2 | Y259 A265 F266 | Y259-R262 PolarHBondContact O-N 2.95Å; R262-A265 PolarHBondContact O-N 3.21Å; R262-F266 HydrophobicContact CG-CD2 3.9Å; R262-F266 HydrophobicContact CG-CE2 3.79Å; R262-F266 WeakPolarHBondContact O-CD2 3.33Å; R262-F266 PolarHBondContact O-N 3.48Å |
| 263 | F | 49.1 | Very low | 42.5 | Very low | 28 Ų | 28 | 84.8 Ų | 84.8 | 12% | 0.123 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | -175.8 | -111.9 | -90 | 0 | 0 | 0 | 114.2 | I54 P61 N261 A265 F266 W267 | I54-F263 HydrophobicContact CB-CE1 3.96Å; I54-F263 HydrophobicContact CB-CZ 3.66Å; I54-F263 HydrophobicContact CG2-CE1 3.84Å; I54-F263 HydrophobicContact CG2-CZ 3.91Å; P61-F263 HydrophobicContact CB-CD1 4.19Å; P61-F263 HydrophobicContact CB-CD2 3.79Å; P61-F263 HydrophobicContact CB-CE1 3.73Å; P61-F263 HydrophobicContact CB-CE2 3.31Å; P61-F263 HydrophobicContact CB-CG 4.23Å; P61-F263 HydrophobicContact CB-CZ 3.3Å; P61-F263 HydrophobicContact CG-CE2 4.45Å; P61-F263 HydrophobicContact CG-CZ 4.32Å; N261-F263 VanDerWaalsContact C-N 3.31Å; N261-F263 PolarHBondContact O-N 2.75Å; F263-A265 VanDerWaalsContact C-N 3.3Å; F263-A265 PolarHBondContact O-N 3.26Å; F263-F266 PolarHBondContact O-N 3.44Å; F263-W267 WeakPolarHBondContact O-CB 3.49Å; F263-W267 PolarHBondContact O-N 3.06Å |
| 264 | Q | 48.1 | Very low | 41.3 | Very low | 104 Ų | 104 | 89 Ų | 89 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.1 | -80.8 | 179.7 | -15.1 | 0 | 0 | 110.7 | F266 W267 F268 | Q264-F266 PolarHBondContact O-N 3.14Å; Q264-W267 PolarHBondContact O-N 2.97Å; Q264-F268 HydrophobicContact CB-CD2 4.35Å; Q264-F268 HydrophobicContact CB-CE2 4.12Å; Q264-F268 HydrophobicContact CG-CE2 4.34Å; Q264-F268 WeakPolarHBondContact O-CD2 3.46Å; Q264-F268 PolarHBondContact O-N 3.45Å; Q264-F268 VanDerWaalsContact O-N 3.07Å |
| 265 | A | 41.7 | Very low | 40.4 | Very low | 60 Ų | 60 | 92.2 Ų | 92.2 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R262 F263 W267 T269 | R262-A265 PolarHBondContact O-N 3.21Å; F263-A265 VanDerWaalsContact C-N 3.3Å; F263-A265 PolarHBondContact O-N 3.26Å; A265-W267 PolarHBondContact O-N 3.48Å; A265-T269 VanDerWaalsContact O-CG2 3.26Å; A265-T269 WeakPolarHBondContact O-CG2 3.4Å; A265-T269 PolarHBondContact O-N 3.26Å; A265-T269 PolarHBondContact O-OG1 2.96Å; A265-T269 VanDerWaalsContact O-OG1 3.08Å |
| 266 | F | 44.1 | Very low | 40.1 | Very low | 71 Ų | 71 | 92.7 Ų | 92.7 | 31% | 0.311 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -31.7 | 178.9 | -86.6 | -73.5 | 0 | 0 | 0 | 113.8 | R262 F263 Q264 T269 N270 | R262-F266 HydrophobicContact CG-CD2 3.9Å; R262-F266 HydrophobicContact CG-CE2 3.79Å; R262-F266 WeakPolarHBondContact O-CD2 3.33Å; R262-F266 PolarHBondContact O-N 3.48Å; F263-F266 PolarHBondContact O-N 3.44Å; Q264-F266 PolarHBondContact O-N 3.14Å; F266-T269 WeakPolarHBondContact CA-OG1 3.28Å; F266-T269 PolarHBondContact O-N 3.15Å; F266-T269 PolarHBondContact O-OG1 3.4Å; F266-T269 VanDerWaalsContact O-OG1 3.14Å; F266-N270 WeakPolarHBondContact O-CB 3.35Å; F266-N270 PolarHBondContact O-N 3.39Å |
| 267 | W | 45.9 | Very low | 39.7 | Very low | 36 Ų | 36 | 91.8 Ų | 91.8 | 14% | 0.136 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -76.5 | -33.9 | -176.6 | -151.5 | 85.6 | 0 | 0 | 0 | 111.8 | H44 F263 Q264 A265 N271 | H44-W267 HydrophobicContact CB-CH2 4.2Å; H44-W267 HydrophobicContact CB-CZ2 3.74Å; H44-W267 AromaticContact ND1-CE2 3.99Å; H44-W267 AromaticContact ND1-CH2 3.55Å; H44-W267 AromaticContact ND1-CZ2 3.6Å; H44-W267 AromaticContact ND1-CZ3 3.94Å; F263-W267 WeakPolarHBondContact O-CB 3.49Å; F263-W267 PolarHBondContact O-N 3.06Å; Q264-W267 PolarHBondContact O-N 2.97Å; A265-W267 PolarHBondContact O-N 3.48Å; W267-N271 WeakPolarHBondContact CH2-ND2 3.33Å; W267-N271 WeakPolarHBondContact CZ2-ND2 3.36Å; W267-N271 WeakPolarHBondContact CZ3-ND2 3.42Å; W267-N271 PolarHBondContact O-ND2 3.18Å |
| 268 | F | 39.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 96.9 Ų | 96.9 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.4 | -25 | 170.9 | -68.1 | -62.2 | 0 | 0 | 0 | 112.9 | Q264 | Q264-F268 HydrophobicContact CB-CD2 4.35Å; Q264-F268 HydrophobicContact CB-CE2 4.12Å; Q264-F268 HydrophobicContact CG-CE2 4.34Å; Q264-F268 WeakPolarHBondContact O-CD2 3.46Å; Q264-F268 PolarHBondContact O-N 3.45Å; Q264-F268 VanDerWaalsContact O-N 3.07Å |
| 269 | T | 39.7 | Very low | 38.8 | Very low | 88 Ų | 88 | 100.7 Ų | 100.7 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -89.2 | -26.5 | 178.8 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | A265 F266 | A265-T269 VanDerWaalsContact O-CG2 3.26Å; A265-T269 WeakPolarHBondContact O-CG2 3.4Å; A265-T269 PolarHBondContact O-N 3.26Å; A265-T269 PolarHBondContact O-OG1 2.96Å; A265-T269 VanDerWaalsContact O-OG1 3.08Å; F266-T269 WeakPolarHBondContact CA-OG1 3.28Å; F266-T269 PolarHBondContact O-N 3.15Å; F266-T269 PolarHBondContact O-OG1 3.4Å; F266-T269 VanDerWaalsContact O-OG1 3.14Å |
| 270 | N | 40 | Very low | 37.9 | Very low | 66 Ų | 66 | 103.9 Ų | 103.9 | 35% | 0.353 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -102.6 | -7.5 | -175.1 | -80.8 | -12.2 | 0 | 0 | 0 | 115.8 | F266 S272 | F266-N270 WeakPolarHBondContact O-CB 3.35Å; F266-N270 PolarHBondContact O-N 3.39Å; N270-S272 PolarHBondContact O-N 3.04Å |
| 271 | N | 38.6 | Very low | 37 | Very low | 72 Ų | 72 | 109.7 Ų | 109.7 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -82.7 | 12.1 | 174.3 | -76.8 | -47.3 | 0 | 0 | 0 | 114.5 | W267 | W267-N271 WeakPolarHBondContact CH2-ND2 3.33Å; W267-N271 WeakPolarHBondContact CZ2-ND2 3.36Å; W267-N271 WeakPolarHBondContact CZ3-ND2 3.42Å; W267-N271 PolarHBondContact O-ND2 3.18Å |
| 272 | S | 32.3 | Very low | 36.2 | Very low | 90 Ų | 90 | 109.1 Ų | 109.1 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -113.6 | 76.2 | 165.8 | 30.8 | 0 | 0 | 0 | 0 | 109.7 | N270 | N270-S272 PolarHBondContact O-N 3.04Š|
| 273 | G | 26.6 | Very low | 35.3 | Very low | 50 Ų | 50 | 106 Ų | 106 | 52% | 0.515 | 58% | 0.581 | S | S | . | * | trans | 82.4 | 81.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 274 | L | 29.3 | Very low | 34.3 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 71% | 0.707 | 61% | 0.613 | S | S | * | * | trans | -138.5 | 90 | 153.5 | -75 | 175.2 | 0 | 0 | 0 | 109.8 | ||||
| 275 | I | 31.7 | Very low | 33.3 | Very low | 149 Ų | 149 | 115 Ų | 115 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | trans | -75.4 | 122.4 | 163.2 | -63 | 169.1 | 0 | 0 | 0 | 106.4 | S277 | I275-S277 PolarHBondContact O-N 3.18Š| ||
| 276 | P | 34.7 | Very low | 32.5 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | trans | -71.3 | 100.4 | 165.3 | 2.6 | 12.2 | 0 | 0 | 0 | 107.1 | L278 | P276-L278 PolarHBondContact O-N 3.34Š| ||
| 277 | S | 28.9 | Very low | 31.8 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -65.9 | 84.2 | 160.2 | 56.8 | 0 | 0 | 0 | 0 | 108 | I275 K279 | I275-S277 PolarHBondContact O-N 3.18Å; S277-K279 PolarHBondContact O-N 3.43Å | ||
| 278 | L | 32.2 | Very low | 31 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -68.9 | 78.9 | 163.7 | -92.9 | 158.4 | 0 | 0 | 0 | 108 | P276 R280 | P276-L278 PolarHBondContact O-N 3.34Å; L278-R280 PolarHBondContact O-N 3.38Å | ||
| 279 | K | 29.7 | Very low | 30.4 | Very low | 196 Ų | 196 | 123.4 Ų | 123.4 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 122.1 | 164.5 | -150.6 | 174.7 | -174.4 | -179.3 | 0 | 106.1 | S277 N281 | S277-K279 PolarHBondContact O-N 3.43Å; K279-N281 PolarHBondContact O-N 3.44Å | ||
| 280 | R | 27.7 | Very low | 30 | Very low | 225 Ų | 225 | 127 Ų | 127 | 85% | 0.849 | 70% | 0.703 | S | S | * | * | trans | -40.9 | 136.3 | 166.4 | -67.4 | 173.1 | -166.7 | 128.1 | 5.4 | 109.3 | L278 | L278-R280 PolarHBondContact O-N 3.38Š| ||
| 281 | N | 28.3 | Very low | 29.4 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | -153.7 | 116.1 | 124.9 | -89.2 | -20 | 0 | 0 | 0 | 109.4 | K279 | K279-N281 PolarHBondContact O-N 3.44Š| |||
| 282 | S | 26.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -48.2 | 151.1 | 153.9 | 42.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 283 | S | 26.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 94.8 | 139.8 | 151.5 | 86.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 284 | F | 28.1 | Very low | 28.7 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 74.3 | 101.6 | 163.7 | -82.5 | -100.6 | 0 | 0 | 0 | 117.2 | ||||
| 285 | L | 27.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | 63.8 | 112.5 | 82.7 | -82.1 | 162.4 | 0 | 0 | 0 | 113.3 | |||||
| 286 | S | 26.4 | Very low | 28.4 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 60.2 | 128.1 | 141 | 67.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 287 | N | 28.2 | Very low | 28.2 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 89 | 123.3 | 140.2 | -68.5 | -2.9 | 0 | 0 | 0 | 119.1 | ||||
| 288 | S | 29.3 | Very low | 28.1 | Very low | 95 Ų | 95 | 150.7 Ų | 150.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 65.8 | 121 | 137.1 | 56.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 289 | D | 27.1 | Very low | 27.9 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 43.9 | 116.2 | 131.2 | -48 | -35.6 | 0 | 0 | 0 | 117.4 | ||||
| 290 | L | 30.9 | Very low | 28 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | 177.7 | 151.9 | 105.9 | -115.6 | 89.5 | 0 | 0 | 0 | 111.3 | |||||
| 291 | N | 27.8 | Very low | 28.3 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -59.3 | 169.3 | 176.8 | -60.6 | -53 | 0 | 0 | 0 | 114.7 | ||||
| 292 | N | 27.9 | Very low | 28.5 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | 74.6 | 108 | 167.4 | -80.3 | -15.8 | 0 | 0 | 0 | 117 | ||||
| 293 | Y | 26.9 | Very low | 28.8 | Very low | 238 Ų | 238 | 142.6 Ų | 142.6 | 93% | 0.933 | 75% | 0.75 | S | S | * | * | -163.6 | 154.1 | 112.4 | -129.6 | -99.4 | 0 | 0 | 0 | 113.6 | |||||
| 294 | D | 27.5 | Very low | 29.4 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | -91.2 | 168.6 | -153.5 | -157 | -3.9 | 0 | 0 | 0 | 114.8 | ||||
| 295 | Q | 28.5 | Very low | 29.8 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -44.6 | 124.6 | 172.2 | -66.7 | 170.8 | -7.7 | 0 | 0 | 113.7 | ||||
| 296 | S | 26.6 | Very low | 30.2 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -179.3 | 130.1 | 134.9 | 46.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 297 | I | 30 | Very low | 30.6 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | 155.4 | 96.1 | 137.9 | -75.3 | 156.2 | 0 | 0 | 0 | 107.3 | ||||
| 298 | Q | 27.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | -59.1 | 158.1 | 171.3 | -72.1 | -177.8 | -10.1 | 0 | 0 | 112.9 | ||||
| 299 | K | 28.2 | Very low | 30.8 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | 74.8 | 116.9 | 150.2 | -71.6 | 153.1 | -179.6 | 167.7 | 0 | 115.7 | ||||
| 300 | N | 31 | Very low | 30.9 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 172.8 | 132 | 106.7 | -90.5 | -30.2 | 0 | 0 | 0 | 115 | |||||
| 301 | I | 33.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 109.7 | 92.5 | 142.6 | -56.5 | 142.1 | 0 | 0 | 0 | 120.2 | ||||
| 302 | I | 33.5 | Very low | 31 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | 37.6 | 120 | 127.5 | -48.6 | 168.3 | 0 | 0 | 0 | 120.7 | |||||
| 303 | P | 33 | Very low | 31.2 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 58% | 0.584 | 74% | 0.743 | S | S | * | * | trans | -78.4 | 135.2 | 165.9 | 31.2 | -30.3 | 0 | 0 | 0 | 112.3 | N305 | P303-N305 PolarHBondContact O-N 3.11Å; P303-N305 VanDerWaalsContact O-N 3.15Å | ||
| 304 | K | 38.3 | Very low | 31.3 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 90% | 0.904 | 73% | 0.733 | S | S | * | * | trans | -79 | 88.5 | 163.3 | -83 | -175.9 | 176.4 | 177.7 | 0 | 109.1 | K306 | K304-K306 PolarHBondContact O-N 3.38Š| ||
| 305 | N | 37.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | trans | -64.3 | 112.6 | 160.2 | -81 | -11.5 | 0 | 0 | 0 | 108.4 | P303 H307 | P303-N305 PolarHBondContact O-N 3.11Å; P303-N305 VanDerWaalsContact O-N 3.15Å; N305-H307 PolarHBondContact O-N 3.07Å | ||
| 306 | K | 35.9 | Very low | 31.5 | Very low | 205 Ų | 205 | 134 Ų | 134 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | trans | -71.7 | 91.8 | 150.4 | -80.4 | -176.8 | 178.6 | 176 | 0 | 106 | K304 S308 | K304-K306 PolarHBondContact O-N 3.38Å; K306-S308 PolarHBondContact O-N 3.38Å | ||
| 307 | H | 34.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | -60.5 | 99.9 | 166.4 | -81.9 | -93.9 | 0 | 0 | 0 | 108.1 | N305 L309 | N305-H307 PolarHBondContact O-N 3.07Å; H307-L309 PolarHBondContact O-N 3Å | ||
| 308 | S | 31.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | trans | -68.3 | 116.2 | 151.2 | 55.7 | 0 | 0 | 0 | 0 | 106.4 | K306 C310 | K306-S308 PolarHBondContact O-N 3.38Å; S308-C310 PolarHBondContact O-N 3.45Å | ||
| 309 | L | 30 | Very low | 31.6 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -57.4 | 104.4 | -177.6 | -79.2 | 96.3 | 0 | 0 | 0 | 111.3 | H307 | H307-L309 PolarHBondContact O-N 3Š| ||
| 310 | C | 28.2 | Very low | 31.6 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | trans | -121.5 | 65.3 | 147.4 | -67.6 | 0 | 0 | 0 | 0 | 106.9 | C38 S308 | C38-C310 PolarHBondContact SG-SG 3.02Å; S308-C310 PolarHBondContact O-N 3.45Å | ||
| 311 | S | 31.5 | Very low | 31.5 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 57% | 0.566 | 75% | 0.75 | S | S | * | * | trans | -92.2 | 112.3 | 173.5 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | T313 | S311-T313 PolarHBondContact O-N 3.48Š| ||
| 312 | T | 30.5 | Very low | 31.3 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -43.3 | 112.6 | 159.7 | 41 | 0 | 0 | 0 | 0 | 110.8 | S314 | T312-S314 PolarHBondContact O-N 3.42Š| ||
| 313 | T | 30.8 | Very low | 31 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -78.2 | 97 | 174 | 26.1 | 0 | 0 | 0 | 0 | 110.4 | S311 T315 | S311-T313 PolarHBondContact O-N 3.48Å; T313-T315 PolarHBondContact O-N 3.11Å | ||
| 314 | S | 29.2 | Very low | 30.7 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -77.1 | 106.9 | 151.1 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | T312 | T312-S314 PolarHBondContact O-N 3.42Š| ||
| 315 | T | 28.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | 20.8 | 104.7 | 149.6 | 50.9 | 0 | 0 | 0 | 0 | 118.4 | T313 | T313-T315 PolarHBondContact O-N 3.11Š| ||
| 316 | S | 32.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -168.1 | 123.9 | 132.6 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 317 | L | 26.9 | Very low | 30.1 | Very low | 168 Ų | 168 | 123.4 Ų | 123.4 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | -56.8 | 137.9 | 173.4 | -71.9 | 82.5 | 0 | 0 | 0 | 111.3 | ||||
| 318 | S | 28.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 161.5 | 139.2 | 116.2 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 319 | S | 30.8 | Very low | 30.9 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 64.8 | 106.2 | 159 | 55.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 320 | S | 28.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 55.8 | 119.8 | 135.4 | 62.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 321 | V | 28.9 | Very low | 32.8 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | 173.9 | 118.2 | 117.3 | 157.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 322 | S | 28.4 | Very low | 34 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | 49.4 | 104.3 | 153.9 | 62.1 | 0 | 0 | 0 | 0 | 121.3 | S324 | S322-S324 PolarHBondContact O-N 3.37Š| ||
| 323 | L | 26.7 | Very low | 35.3 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 96% | 0.958 | 72% | 0.721 | S | S | * | * | trans | -59.2 | 121.3 | 151 | -90 | 81.7 | 0 | 0 | 0 | 110.4 | ||||
| 324 | S | 27.9 | Very low | 36.7 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -148.9 | 109.2 | 148.2 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | S322 | S322-S324 PolarHBondContact O-N 3.37Š| ||
| 325 | I | 29.9 | Very low | 38.3 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 82% | 0.821 | 70% | 0.696 | S | S | * | * | trans | 67.7 | 110.6 | 146.7 | -49.1 | 162.9 | 0 | 0 | 0 | 114.4 | ||||
| 326 | V | 32.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 118 Ų | 118 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | 174.5 | 115.5 | 127.6 | 159.1 | 0 | 0 | 0 | 0 | 108 | |||||
| 327 | N | 36.1 | Very low | 41.2 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | trans | 74.7 | 114.9 | 157 | -62.8 | -11.7 | 0 | 0 | 0 | 119.3 | Y329 | N327-Y329 HydrophobicContact CB-CD2 4.24Å; N327-Y329 PolarHBondContact O-N 3.18Å | ||
| 328 | G | 36.2 | Very low | 42.9 | Very low | 59 Ų | 59 | 118.6 Ų | 118.6 | 61% | 0.608 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 329 | Y | 46.2 | Very low | 44.6 | Very low | 184 Ų | 184 | 119 Ų | 119 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -10.2 | 173.3 | -76.5 | -85.6 | 0 | 0 | 0 | 113.2 | N327 | N327-Y329 HydrophobicContact CB-CD2 4.24Å; N327-Y329 PolarHBondContact O-N 3.18Å |
| 330 | F | 45.5 | Very low | 45.8 | Very low | 163 Ų | 163 | 117.6 Ų | 117.6 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -88.6 | -13.3 | -179.9 | -89.1 | -82.9 | 0 | 0 | 0 | 115.2 | I334 | F330-I334 WeakPolarHBondContact O-CD1 3.34Š|
| 331 | I | 53.5 | Low | 47.1 | Very low | 109 Ų | 109 | 118.2 Ų | 118.2 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.7 | -30.9 | -175.9 | -57.2 | -179.6 | 0 | 0 | 0 | 111.2 | I334 I335 | I331-I334 PolarHBondContact O-N 3.49Å; I331-I335 HydrophobicContact CG2-CD1 3.53Å; I331-I335 HydrophobicContact CG2-CG1 4.04Å; I331-I335 WeakPolarHBondContact O-CG1 3.28Å; I331-I335 PolarHBondContact O-N 3.22Å |
| 332 | I | 56.9 | Low | 48 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 52% | 0.518 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.2 | -44.9 | -174.9 | -60.1 | 172.2 | 0 | 0 | 0 | 113 | I334 I335 I336 | I332-I334 VanDerWaalsContact C-N 3.29Å; I332-I334 PolarHBondContact O-N 3.4Å; I332-I335 PolarHBondContact O-N 3.42Å; I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.4Å; I332-I336 VanDerWaalsContact O-N 3.11Å |
| 333 | P | 56.1 | Low | 49 | Very low | 57 Ų | 57 | 121.2 Ų | 121.2 | 37% | 0.37 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.8 | -33.4 | 178.7 | -17.3 | 30 | 0 | 0 | 0 | 112.6 | F337 | P333-F337 WeakPolarHBondContact O-CB 3.29Å; P333-F337 PolarHBondContact O-N 3.46Å |
| 334 | I | 61.6 | Low | 50.2 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 60% | 0.6 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.3 | -40.8 | -178.8 | -61.3 | 174.5 | 0 | 0 | 0 | 110.5 | F330 I331 I332 F337 Y338 | F330-I334 WeakPolarHBondContact O-CD1 3.34Å; I331-I334 PolarHBondContact O-N 3.49Å; I332-I334 VanDerWaalsContact C-N 3.29Å; I332-I334 PolarHBondContact O-N 3.4Å; I334-F337 PolarHBondContact O-N 3.12Å; I334-Y338 WeakPolarHBondContact O-CB 3.45Å; I334-Y338 PolarHBondContact O-N 3.45Å |
| 335 | I | 62.6 | Low | 51.4 | Low | 90 Ų | 90 | 119.1 Ų | 119.1 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.9 | -43.3 | 175.4 | -68.8 | 176.2 | 0 | 0 | 0 | 111.1 | I331 I332 F337 Y338 I339 | I331-I335 HydrophobicContact CG2-CD1 3.53Å; I331-I335 HydrophobicContact CG2-CG1 4.04Å; I331-I335 WeakPolarHBondContact O-CG1 3.28Å; I331-I335 PolarHBondContact O-N 3.22Å; I332-I335 PolarHBondContact O-N 3.42Å; I335-F337 VanDerWaalsContact C-N 3.34Å; I335-F337 PolarHBondContact O-N 3.37Å; I335-Y338 PolarHBondContact O-N 3.29Å; I335-I339 HydrophobicContact CG2-CD1 3.72Å; I335-I339 HydrophobicContact CG2-CG1 4.45Å; I335-I339 VanDerWaalsContact O-CG1 3.29Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 3.35Å |
| 336 | I | 61.4 | Low | 52.7 | Low | 88 Ų | 88 | 116.7 Ų | 116.7 | 45% | 0.451 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -40.6 | 177.9 | -66.4 | 170.3 | 0 | 0 | 0 | 110.8 | I332 Y338 I339 C340 | I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.4Å; I332-I336 VanDerWaalsContact O-N 3.11Å; I336-Y338 VanDerWaalsContact C-N 3.32Å; I336-Y338 PolarHBondContact O-N 3.02Å; I336-I339 PolarHBondContact O-N 3.37Å; I336-C340 PolarHBondContact O-N 3.4Å; I336-C340 VanDerWaalsContact O-N 3.12Å; I336-C340 PolarHBondContact O-SG 3.25Å; I336-C340 VanDerWaalsContact O-SG 3.4Å |
| 337 | F | 59.6 | Low | 54 | Low | 134 Ų | 134 | 116.9 Ų | 116.9 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.9 | -36.4 | 177.2 | -156.6 | -100.4 | 0 | 0 | 0 | 112.3 | P333 I334 I335 C340 L341 | P333-F337 WeakPolarHBondContact O-CB 3.29Å; P333-F337 PolarHBondContact O-N 3.46Å; I334-F337 PolarHBondContact O-N 3.12Å; I335-F337 VanDerWaalsContact C-N 3.34Å; I335-F337 PolarHBondContact O-N 3.37Å; F337-C340 PolarHBondContact O-N 3.43Å; F337-L341 HydrophobicContact CD1-CD1 3.48Å; F337-L341 VanDerWaalsContact CD1-CD1 3.48Å; F337-L341 HydrophobicContact CE1-CD1 3.28Å; F337-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CZ-CD1 4.11Å; F337-L341 PolarHBondContact O-N 3.01Å |
| 338 | Y | 63.5 | Low | 55.2 | Low | 163 Ų | 163 | 116.7 Ų | 116.7 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.2 | -34.3 | 177.6 | -153.3 | -93.5 | 0 | 0 | 0 | 112.8 | I334 I335 I336 C340 | I334-Y338 WeakPolarHBondContact O-CB 3.45Å; I334-Y338 PolarHBondContact O-N 3.45Å; I335-Y338 PolarHBondContact O-N 3.29Å; I336-Y338 VanDerWaalsContact C-N 3.32Å; I336-Y338 PolarHBondContact O-N 3.02Å; Y338-C340 VanDerWaalsContact C-N 3.33Å |
| 339 | I | 65.4 | Low | 56.5 | Low | 116 Ų | 116 | 120.8 Ų | 120.8 | 60% | 0.595 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.2 | -26.4 | 175.3 | -67.5 | 168 | 0 | 0 | 0 | 111.9 | I335 I336 N342 | I335-I339 HydrophobicContact CG2-CD1 3.72Å; I335-I339 HydrophobicContact CG2-CG1 4.45Å; I335-I339 VanDerWaalsContact O-CG1 3.29Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 3.35Å; I336-I339 PolarHBondContact O-N 3.37Å; I339-N342 VanDerWaalsContact O-OXT 3.11Å |
| 340 | C | 54.3 | Low | 57.3 | Low | 75 Ų | 75 | 115.9 Ų | 115.9 | 51% | 0.507 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -10.6 | 178 | -68.7 | 0 | 0 | 0 | 0 | 114.4 | I336 F337 Y338 | I336-C340 PolarHBondContact O-N 3.4Å; I336-C340 VanDerWaalsContact O-N 3.12Å; I336-C340 PolarHBondContact O-SG 3.25Å; I336-C340 VanDerWaalsContact O-SG 3.4Å; F337-C340 PolarHBondContact O-N 3.43Å; Y338-C340 VanDerWaalsContact C-N 3.33Å |
| 341 | L | 55.2 | Low | 58.3 | Low | 122 Ų | 122 | 112 Ų | 112 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -17.2 | -179.4 | -95.5 | 158.1 | 0 | 0 | 0 | 113.9 | F337 | F337-L341 HydrophobicContact CD1-CD1 3.48Å; F337-L341 VanDerWaalsContact CD1-CD1 3.48Å; F337-L341 HydrophobicContact CE1-CD1 3.28Å; F337-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CZ-CD1 4.11Å; F337-L341 PolarHBondContact O-N 3.01Å |
| 342 | N | 49.3 | Very low | 58.7 | Low | 172 Ų | 172 | 112.3 Ų | 112.3 | 92% | 0.92 | 57% | 0.572 | S | S | * | * | trans | -103.7 | 0 | 167.6 | -74.9 | -23.4 | 0 | 0 | 0 | 109.5 | I339 | I339-N342 VanDerWaalsContact O-OXT 3.11Š|
Retrieved 342 of 342 residues in 57.3 ms
(Link to these results)