| 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 | 52.3 | Low | 44.4 | Very low | 246 Ų | 246 | 145.5 Ų | 145.5 | 100% | 1.212 | 85% | 0.852 | S | S | * | * | 0 | 108.5 | 0 | -74.7 | 159.5 | 80.9 | 0 | 0 | 108.2 | |||||
| 2 | S | 43.4 | Very low | 44 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -151.4 | 120.8 | 158.2 | 51.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 3 | L | 48.6 | Very low | 44.3 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 83% | 0.831 | S | S | * | * | trans | -83.2 | 169.9 | -178.7 | -77.6 | 116.6 | 0 | 0 | 0 | 111.3 | ||||
| 4 | Y | 47 | Very low | 44.7 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | trans | 81.2 | 74.1 | 178.5 | -61.5 | -79.1 | 0 | 0 | 0 | 115.8 | ||||
| 5 | D | 50.4 | Low | 44.7 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -94.7 | 156.8 | 138 | -142.7 | -22.1 | 0 | 0 | 0 | 108.5 | ||||
| 6 | D | 47.8 | Very low | 45 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | 64.7 | 94.5 | 173.2 | -156.3 | 13.8 | 0 | 0 | 0 | 120.2 | ||||
| 7 | L | 42.3 | Very low | 45.2 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -148.8 | 95.6 | 130.5 | -104 | -179.2 | 0 | 0 | 0 | 109 | V9 | L7-V9 PolarHBondContact O-N 3.09Š| ||
| 8 | G | 38.7 | Very low | 45.5 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -66.4 | 120.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G10 | G8-G10 PolarHBondContact O-N 2.87Š| ||
| 9 | V | 39.2 | Very low | 45.5 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -81.9 | 98.9 | 167.4 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | L7 A11 | L7-V9 PolarHBondContact O-N 3.09Å; V9-A11 PolarHBondContact O-N 3.11Å | ||
| 10 | G | 37.3 | Very low | 45.8 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -67.2 | 109.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G8 S12 | G8-G10 PolarHBondContact O-N 2.87Å; G10-S12 PolarHBondContact O-N 3.19Å | ||
| 11 | A | 41.5 | Very low | 46.3 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -70 | 94.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V9 D13 | V9-A11 PolarHBondContact O-N 3.11Å; A11-D13 PolarHBondContact O-N 2.9Å | ||
| 12 | S | 40 | Very low | 46.2 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -87.3 | 85 | 173.3 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | G10 T14 | G10-S12 PolarHBondContact O-N 3.19Å; S12-T14 PolarHBondContact O-N 3.43Å; S12-T14 PolarHBondContact O-OG1 3.34Å | ||
| 13 | D | 47.7 | Very low | 46.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -65.8 | 100.9 | 172.8 | -165.3 | 5.3 | 0 | 0 | 0 | 110.2 | A11 | A11-D13 PolarHBondContact O-N 2.9Š| ||
| 14 | T | 49.8 | Very low | 47.2 | Very low | 123 Ų | 123 | 131 Ų | 131 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -128.3 | 46.7 | -175.3 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | S12 T16 | S12-T14 PolarHBondContact O-N 3.43Å; S12-T14 PolarHBondContact O-OG1 3.34Å; T14-T16 PolarHBondContact O-N 3.01Å | ||
| 15 | K | 44.4 | Very low | 47.9 | Very low | 180 Ų | 180 | 125.2 Ų | 125.2 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | trans | -80.1 | 102.9 | -177.8 | -133.7 | 168.6 | -171.6 | 170.9 | 0 | 113.1 | ||||
| 16 | T | 49.5 | Very low | 48.7 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | 59.8 | 72.7 | 144.6 | 58 | 0 | 0 | 0 | 0 | 118.9 | T14 | T14-T16 PolarHBondContact O-N 3.01Š| ||
| 17 | E | 48.7 | Very low | 49.4 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | trans | -102.1 | 11.6 | 170.1 | -133.9 | -162 | -153.2 | 0 | 0 | 115.2 | K21 | E17-K21 IonicContact OE2-NZ 2.83Å; E17-K21 PolarHBondContact OE2-NZ 3.19Å | ||
| 18 | G | 50.8 | Low | 50.7 | Low | 55 Ų | 55 | 114.9 Ų | 114.9 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -90.9 | -29.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 19 | W | 44.6 | Very low | 51.8 | Low | 234 Ų | 234 | 116.7 Ų | 116.7 | 89% | 0.886 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -83.8 | -39.9 | -168.1 | -153.8 | -56.2 | 0 | 0 | 0 | 113.5 | K21 N22 | W19-K21 PolarHBondContact O-N 3.14Å; W19-N22 PolarHBondContact O-N 2.76Å |
| 20 | S | 52 | Low | 53 | Low | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.3 | -25.7 | -169.3 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | K24 | S20-K24 PolarHBondContact O-N 2.78Å |
| 21 | K | 55.6 | Low | 54 | Low | 117 Ų | 117 | 118.6 Ų | 118.6 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.9 | -40.8 | -179.9 | -66.6 | 171.9 | -174.1 | 169.3 | 0 | 111.6 | E17 W19 K24 L25 | E17-K21 IonicContact OE2-NZ 2.83Å; E17-K21 PolarHBondContact OE2-NZ 3.19Å; W19-K21 PolarHBondContact O-N 3.14Å; K21-K24 PolarHBondContact O-N 3.4Å; K21-L25 PolarHBondContact O-N 3.05Å |
| 22 | N | 51.4 | Low | 54.9 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -38.9 | 178.1 | -68 | -23.7 | 0 | 0 | 0 | 112.5 | W19 L25 L26 | W19-N22 PolarHBondContact O-N 2.76Å; N22-L25 PolarHBondContact O-N 2.76Å; N22-L26 PolarHBondContact O-N 2.83Å; N22-L26 VanDerWaalsContact O-N 3.1Å |
| 23 | F | 52.2 | Low | 55.9 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 177.7 | -174.2 | -101.5 | 0 | 0 | 0 | 112.7 | L26 Q27 | F23-L26 PolarHBondContact O-N 3.01Å; F23-Q27 HydrophobicContact CE1-CG 4.24Å; F23-Q27 HydrophobicContact CZ-CG 4.49Å; F23-Q27 PolarHBondContact O-N 3.43Å |
| 24 | K | 61.3 | Low | 56.4 | Low | 154 Ų | 154 | 122.1 Ų | 122.1 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.3 | -39 | 176.9 | -74.2 | 176.4 | 178 | 176.1 | 0 | 112.2 | S20 K21 Q27 S28 | S20-K24 PolarHBondContact O-N 2.78Å; K21-K24 PolarHBondContact O-N 3.4Å; K24-Q27 PolarHBondContact O-N 2.87Å; K24-S28 PolarHBondContact O-N 3.27Å |
| 25 | L | 60.1 | Low | 56.5 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.7 | -41.1 | 176.5 | -166.1 | 68.8 | 0 | 0 | 0 | 111.7 | K21 N22 S28 Q29 | K21-L25 PolarHBondContact O-N 3.05Å; N22-L25 PolarHBondContact O-N 2.76Å; L25-S28 WeakPolarHBondContact O-CB 3.17Å; L25-S28 PolarHBondContact O-N 3.46Å; L25-Q29 PolarHBondContact O-N 3.38Å |
| 26 | L | 67.2 | Low | 57.1 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 176.6 | -174.6 | 61.9 | 0 | 0 | 0 | 112.4 | N22 F23 S28 Q29 L30 | N22-L26 PolarHBondContact O-N 2.83Å; N22-L26 VanDerWaalsContact O-N 3.1Å; F23-L26 PolarHBondContact O-N 3.01Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.83Å; L26-Q29 PolarHBondContact O-N 3.09Å; L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.85Å |
| 27 | Q | 64.1 | Low | 57.3 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.1 | -39.6 | 172.1 | -85.1 | -157.4 | 5.3 | 0 | 0 | 112.5 | F23 K24 L30 K31 | F23-Q27 HydrophobicContact CE1-CG 4.24Å; F23-Q27 HydrophobicContact CZ-CG 4.49Å; F23-Q27 PolarHBondContact O-N 3.43Å; K24-Q27 PolarHBondContact O-N 2.87Å; Q27-L30 PolarHBondContact O-N 3.41Å; Q27-K31 WeakPolarHBondContact O-CG 3.15Å; Q27-K31 PolarHBondContact O-N 3Å |
| 28 | S | 68.4 | Low | 57.6 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -50 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | K24 L25 L26 L30 K31 V32 | K24-S28 PolarHBondContact O-N 3.27Å; L25-S28 WeakPolarHBondContact O-CB 3.17Å; L25-S28 PolarHBondContact O-N 3.46Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.83Å; S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 2.84Å; S28-K31 PolarHBondContact O-N 3.45Å; S28-V32 WeakPolarHBondContact O-CG2 3.43Å; S28-V32 PolarHBondContact O-N 3.49Å |
| 29 | Q | 62.5 | Low | 57.8 | Low | 106 Ų | 106 | 115.7 Ų | 115.7 | 50% | 0.495 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.4 | -37.1 | 178 | -67.6 | -174.1 | 23.4 | 0 | 0 | 113 | L25 L26 K33 | L25-Q29 PolarHBondContact O-N 3.38Å; L26-Q29 PolarHBondContact O-N 3.09Å; Q29-K33 WeakPolarHBondContact O-CB 3.44Å; Q29-K33 PolarHBondContact O-N 2.82Å |
| 30 | L | 63.8 | Low | 57.9 | Low | 107 Ų | 107 | 107.8 Ų | 107.8 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.7 | -39.1 | 175.3 | -78.1 | 164.7 | 0 | 0 | 0 | 112.5 | L26 Q27 S28 K34 | L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.85Å; Q27-L30 PolarHBondContact O-N 3.41Å; S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 2.84Å; L30-K34 WeakPolarHBondContact O-CB 3.41Å; L30-K34 PolarHBondContact O-N 3.39Å |
| 31 | K | 59.2 | Low | 57.7 | Low | 142 Ų | 142 | 111.8 Ų | 111.8 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.7 | -44.2 | 175.3 | -74.4 | 174.8 | -178.7 | 176.1 | 0 | 111.8 | Q27 S28 K34 A35 | Q27-K31 WeakPolarHBondContact O-CG 3.15Å; Q27-K31 PolarHBondContact O-N 3Å; S28-K31 PolarHBondContact O-N 3.45Å; K31-K34 PolarHBondContact O-N 3.42Å; K31-A35 PolarHBondContact O-N 3.11Å |
| 32 | V | 60.3 | Low | 57.1 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.4 | -45 | 176.4 | 175 | 0 | 0 | 0 | 0 | 111.4 | S28 K34 A35 A36 | S28-V32 WeakPolarHBondContact O-CG2 3.43Å; S28-V32 PolarHBondContact O-N 3.49Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 2.88Å; V32-A36 PolarHBondContact O-N 3.1Å |
| 33 | K | 59.5 | Low | 56.9 | Low | 155 Ų | 155 | 114.6 Ų | 114.6 | 67% | 0.674 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.9 | -36.8 | 175.6 | -79 | -178.5 | 173.6 | 178 | 0 | 113 | Q29 L37 | Q29-K33 WeakPolarHBondContact O-CB 3.44Å; Q29-K33 PolarHBondContact O-N 2.82Å; K33-L37 PolarHBondContact O-N 3.24Å |
| 34 | K | 58.9 | Low | 56.6 | Low | 163 Ų | 163 | 119.6 Ų | 119.6 | 71% | 0.709 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.4 | -35.2 | 176.3 | -168.5 | 173.8 | 179.8 | 178 | 0 | 112.5 | L30 K31 V32 | L30-K34 WeakPolarHBondContact O-CB 3.41Å; L30-K34 PolarHBondContact O-N 3.39Å; K31-K34 PolarHBondContact O-N 3.42Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 3.49Å |
| 35 | A | 52.8 | Low | 55.7 | Low | 54 Ų | 54 | 119.4 Ų | 119.4 | 45% | 0.446 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.6 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K31 V32 L37 T38 | K31-A35 PolarHBondContact O-N 3.11Å; V32-A35 PolarHBondContact O-N 2.88Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 2.95Å; A35-T38 PolarHBondContact O-OG1 3Å |
| 36 | A | 56.7 | Low | 55.2 | Low | 62 Ų | 62 | 123.8 Ų | 123.8 | 51% | 0.512 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.8 | -34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V32 | V32-A36 PolarHBondContact O-N 3.1Å |
| 37 | L | 53.9 | Low | 54.4 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.3 | -29 | -177.8 | -168.7 | 64.3 | 0 | 0 | 0 | 113.4 | K33 A35 | K33-L37 PolarHBondContact O-N 3.24Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 2.95Å |
| 38 | T | 54.7 | Low | 53.2 | Low | 87 Ų | 87 | 129.8 Ų | 129.8 | 53% | 0.534 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -77.1 | -34.8 | 178.9 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | A35 K41 T42 | A35-T38 PolarHBondContact O-OG1 3Å; T38-K41 PolarHBondContact O-N 3.3Å; T38-T42 PolarHBondContact O-OG1 2.99Å |
| 39 | Q | 53.8 | Low | 52 | Low | 151 Ų | 151 | 133.6 Ų | 133.6 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66.3 | -38.8 | 176.5 | -68.5 | -175.1 | -14.1 | 0 | 0 | 112.4 | K41 T42 | Q39-K41 VanDerWaalsContact C-N 3.26Å; Q39-K41 PolarHBondContact O-N 2.84Å; Q39-T42 PolarHBondContact O-N 2.99Å |
| 40 | A | 48 | Very low | 51.1 | Low | 69 Ų | 69 | 135 Ų | 135 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -65.9 | -22.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 41 | K | 46.3 | Very low | 50.2 | Low | 149 Ų | 149 | 137.7 Ų | 137.7 | 65% | 0.648 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -83.5 | -27.7 | -179.1 | -163.3 | 167.5 | -178.1 | 178.5 | 0 | 113.1 | T38 Q39 | T38-K41 PolarHBondContact O-N 3.3Å; Q39-K41 VanDerWaalsContact C-N 3.26Å; Q39-K41 PolarHBondContact O-N 2.84Å |
| 42 | T | 44.2 | Very low | 49.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -77.4 | -27 | -175.7 | -51 | 0 | 0 | 0 | 0 | 113.6 | T38 Q39 R44 | T38-T42 PolarHBondContact O-OG1 2.99Å; Q39-T42 PolarHBondContact O-N 2.99Å; T42-R44 PolarHBondContact O-N 2.91Å |
| 43 | Q | 46.4 | Very low | 48.6 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -16.4 | 178.2 | -85.8 | -168.4 | -31.7 | 0 | 0 | 114.8 | ||
| 44 | R | 46.8 | Very low | 47.5 | Very low | 229 Ų | 229 | 135.4 Ų | 135.4 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 0.1 | -177.1 | -106.5 | -174.6 | 177.9 | -170.9 | -0.9 | 115.5 | T42 | T42-R44 PolarHBondContact O-N 2.91Š|
| 45 | M | 41.9 | Very low | 46.7 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -107.9 | 36.5 | -175.3 | -71.8 | -170.1 | 154.9 | 0 | 0 | 114.3 | ||
| 46 | K | 49.3 | Very low | 46.1 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -128.6 | 10.1 | 176.4 | -78.4 | -164.7 | 174 | -173.5 | 0 | 116 | ||
| 47 | Q | 50.5 | Low | 45.6 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -137.9 | 160.3 | 166.2 | -70.2 | -174.9 | -24.1 | 0 | 0 | 109.2 | ||
| 48 | T | 38.8 | Very low | 44.7 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | 76.1 | 63.7 | -176.5 | 80.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 49 | T | 44.7 | Very low | 43.9 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -93 | 98.1 | 148.5 | -56.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 50 | V | 43.4 | Very low | 42.9 | Very low | 136 Ų | 136 | 152.3 Ų | 152.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -138.8 | 132.6 | 166.6 | -170.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 51 | L | 44.8 | Very low | 42.2 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 153.5 | -173.5 | -70.1 | 158.7 | 0 | 0 | 0 | 112.1 | ||
| 52 | A | 40.1 | Very low | 41.5 | Very low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 144.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V54 | A52-V54 PolarHBondContact O-N 2.76Š|
| 53 | P | 44.3 | Very low | 41 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67 | 127 | 173.5 | -18.1 | 31.7 | 0 | 0 | 0 | 111.5 | ||
| 54 | V | 37.6 | Very low | 40.4 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 132.4 | 167.9 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | A52 | A52-V54 PolarHBondContact O-N 2.76Š|
| 55 | I | 42.2 | Very low | 39.9 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 118 | 176.6 | -60.5 | 173.6 | 0 | 0 | 0 | 108.5 | ||
| 56 | D | 39.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81 | 134.4 | 178.9 | -112.8 | -31.6 | 0 | 0 | 0 | 112.3 | ||
| 57 | L | 46.1 | Very low | 39 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -115.9 | 77.9 | -179.2 | -87.3 | 152.8 | 0 | 0 | 0 | 110.7 | ||||
| 58 | K | 35.8 | Very low | 38 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -172.2 | 160.9 | 157.2 | -116.8 | 162 | -177.3 | 173.4 | 0 | 116.1 | ||||
| 59 | R | 37 | Very low | 37.7 | Very low | 254 Ų | 254 | 142.7 Ų | 142.7 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | 84.3 | 119.5 | 168.7 | -154.9 | 178.6 | -151.6 | -109.1 | 2.6 | 114.2 | ||||
| 60 | G | 32.5 | Very low | 37 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | 176.6 | 143.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 61 | G | 34.3 | Very low | 36.6 | Very low | 79 Ų | 79 | 142.3 Ų | 142.3 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -117.9 | 178.6 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 62 | S | 31.6 | Very low | 36.5 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -165.8 | 112.9 | 158.2 | -91.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 63 | S | 32.9 | Very low | 37.2 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | 64.9 | 131.7 | 99 | 71 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 64 | D | 33.8 | Very low | 36.8 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | cis | -153.1 | -161.1 | 1.1 | -165.3 | -2.9 | 0 | 0 | 0 | 108.3 | ||||
| 65 | D | 36 | Very low | 36.6 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 85.5 | 66.9 | 170.3 | -66.4 | -40.9 | 0 | 0 | 0 | 118.5 | ||||
| 66 | R | 37.3 | Very low | 36.3 | Very low | 210 Ų | 210 | 139.6 Ų | 139.6 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | 22.6 | 120.7 | 115.1 | -55.8 | 170.2 | 115.4 | 129 | -0.8 | 117.9 | |||||
| 67 | L | 35.6 | Very low | 36.2 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | -172.1 | 147.7 | 108.5 | -101 | 158.1 | 0 | 0 | 0 | 112.1 | |||||
| 68 | S | 28.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -103.7 | 149.9 | -171.2 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 69 | T | 33.1 | Very low | 35.4 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 175.5 | 108 | 136.2 | 34.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 70 | D | 30.6 | Very low | 35.5 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 69.5 | 115.8 | 78.4 | -89.3 | -39.6 | 0 | 0 | 0 | 117.2 | |||||
| 71 | T | 33.7 | Very low | 35.5 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -56.4 | -178.4 | 164.1 | 24.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 72 | P | 43 | Very low | 35.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | cis | -138.4 | -123.2 | -24.8 | 36.3 | -11.6 | 0 | 0 | 0 | 113.7 | ||||
| 73 | P | 55.7 | Low | 35.7 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 177.7 | -144.7 | 44.6 | -26.9 | 0 | 0 | 0 | 114.7 | ||||
| 74 | H | 34.5 | Very low | 36.5 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -137.6 | 144.5 | 160.5 | -82.4 | -71.2 | 0 | 0 | 0 | 114.1 | ||||
| 75 | A | 34.5 | Very low | 36.5 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -119.8 | 159.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 76 | A | 36.6 | Very low | 36.4 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 87.1 | 146.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 77 | V | 36.1 | Very low | 36.5 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | trans | 68.1 | 96 | 157.4 | -167.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 78 | G | 31.5 | Very low | 36.4 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | 104.7 | 150 | 96.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 79 | L | 34.8 | Very low | 37.3 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 99.1 | 95.5 | 143.4 | -140.7 | 65.6 | 0 | 0 | 0 | 119.8 | ||||
| 80 | K | 38.7 | Very low | 37.4 | Very low | 165 Ų | 165 | 125 Ų | 125 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 48.5 | 126.2 | 143.6 | 77.1 | -158.4 | 168.6 | -170.2 | 0 | 121.7 | ||||
| 81 | D | 32.7 | Very low | 37.8 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | -167.4 | 170.8 | 112.6 | -96.1 | -17.6 | 0 | 0 | 0 | 111.8 | |||||
| 82 | A | 36 | Very low | 38.2 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -154.4 | 157.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 83 | V | 34.2 | Very low | 38.3 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | cis | -159.1 | -172.4 | 9.8 | -121.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 84 | P | 49.3 | Very low | 38.1 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -132.7 | 158.8 | -25.7 | 34 | -17.8 | 0 | 0 | 0 | 113.3 | ||||
| 85 | S | 33.7 | Very low | 38.9 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -165.4 | 142.9 | 153.2 | -162.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 86 | G | 34.1 | Very low | 39.6 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 80.2 | 95.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | S88 | G86-S88 PolarHBondContact O-N 2.9Š| ||
| 87 | F | 38.8 | Very low | 40.6 | Very low | 225 Ų | 225 | 126.4 Ų | 126.4 | 99% | 0.987 | 79% | 0.785 | S | S | * | * | trans | -64.7 | 116 | 148.7 | -103.9 | -100.5 | 0 | 0 | 0 | 108.1 | ||||
| 88 | S | 34.5 | Very low | 41.8 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -130.1 | 118.5 | 160.8 | -172 | 0 | 0 | 0 | 0 | 108.7 | G86 | G86-S88 PolarHBondContact O-N 2.9Š| ||
| 89 | S | 46.7 | Very low | 43.5 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -56.3 | 135 | 169 | -51 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 90 | G | 35.2 | Very low | 44.4 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | 171.3 | 85.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 91 | D | 39 | Very low | 45.5 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 37.8 | 102.8 | 152.2 | -53 | -35 | 0 | 0 | 0 | 118.8 | L93 | D91-L93 HydrophobicContact CB-CG 4.35Å; D91-L93 PolarHBondContact O-N 3.03Å | ||
| 92 | V | 43.3 | Very low | 46.9 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | -70.4 | 79.2 | 154.8 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | I94 | V92-I94 VanDerWaalsContact C-N 3.33Å; V92-I94 PolarHBondContact O-N 2.85Å | ||
| 93 | L | 44.5 | Very low | 48 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -64.7 | 93.1 | 170.1 | -92.9 | 160.8 | 0 | 0 | 0 | 109.2 | D91 P95 | D91-L93 HydrophobicContact CB-CG 4.35Å; D91-L93 PolarHBondContact O-N 3.03Å; L93-P95 WeakPolarHBondContact O-CD 3.41Å | ||
| 94 | I | 51.6 | Low | 49.1 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -53.8 | 125.4 | 156.6 | -61.3 | 168.3 | 0 | 0 | 0 | 106.3 | V92 L96 | V92-I94 VanDerWaalsContact C-N 3.33Å; V92-I94 PolarHBondContact O-N 2.85Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.48Å | ||
| 95 | P | 51.6 | Low | 49.3 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | -65.7 | 88.4 | 176.1 | -23.4 | 35.5 | 0 | 0 | 0 | 111.2 | L93 A97 | L93-P95 WeakPolarHBondContact O-CD 3.41Å; P95-A97 PolarHBondContact O-N 3.13Å | ||
| 96 | L | 48.8 | Very low | 50.4 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | trans | -72.7 | 93.6 | 175.3 | -71.6 | 171 | 0 | 0 | 0 | 108.4 | I94 D98 E99 | I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.48Å; L96-D98 PolarHBondContact O-N 3.02Å; L96-E99 PolarHBondContact O-N 3.38Å | ||
| 97 | A | 57.8 | Low | 51.7 | Low | 99 Ų | 99 | 126.3 Ų | 126.3 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 16.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P95 | P95-A97 PolarHBondContact O-N 3.13Š|
| 98 | D | 61.8 | Low | 52.3 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 66% | 0.658 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | 51 | 176.6 | -102.2 | -27.8 | 0 | 0 | 0 | 108.9 | L96 R114 | L96-D98 PolarHBondContact O-N 3.02Å; D98-R114 IonicContact OD1-NH1 2.94Å; D98-R114 IonicContact OD1-NH2 2.73Å; D98-R114 IonicContact OD2-CZ 3.7Å; D98-R114 IonicContact OD2-NH1 3.88Å; D98-R114 PolarHBondContact OD2-NH1 3.34Å; D98-R114 IonicContact OD2-NH2 3.91Å |
| 99 | E | 65.9 | Low | 53.6 | Low | 177 Ų | 177 | 125.7 Ų | 125.7 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -72.2 | 127.4 | 168.9 | -167.6 | 163.6 | -142.6 | 0 | 0 | 109.7 | L96 D101 | L96-E99 PolarHBondContact O-N 3.38Å; E99-D101 PolarHBondContact O-N 2.95Å | ||
| 100 | Y | 54.2 | Low | 54.7 | Low | 147 Ų | 147 | 126 Ų | 126 | 58% | 0.576 | 67% | 0.674 | S | S | * | * | trans | -74.8 | 112 | -167.7 | 178.8 | -96.9 | 0 | 0 | 0 | 112 | P102 | Y100-P102 HydrophobicContact CE1-CB 4.28Å; Y100-P102 VanDerWaalsContact O-CD 3.25Å; Y100-P102 WeakPolarHBondContact O-CD 2.82Å | ||
| 101 | D | 61.9 | Low | 56.4 | Low | 82 Ų | 82 | 126.4 Ų | 126.4 | 44% | 0.439 | 66% | 0.663 | S | S | . | * | trans | -80.3 | 109.5 | 172.3 | -177.9 | -1.6 | 0 | 0 | 0 | 110.8 | E99 M103 F104 | E99-D101 PolarHBondContact O-N 2.95Å; D101-M103 PolarHBondContact O-N 2.89Å; D101-M103 WeakPolarHBondContact OD1-CB 3.45Å; D101-M103 PolarHBondContact OD1-N 3.31Å; D101-F104 CarbonylContact O-C 3.42Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å | ||
| 102 | P | 63.3 | Low | 58.1 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -11.5 | 180 | 31.1 | -36.4 | 0 | 0 | 0 | 113.5 | Y100 | Y100-P102 HydrophobicContact CE1-CB 4.28Å; Y100-P102 VanDerWaalsContact O-CD 3.25Å; Y100-P102 WeakPolarHBondContact O-CD 2.82Å |
| 103 | M | 57.4 | Low | 59.9 | Low | 156 Ų | 156 | 123.3 Ų | 123.3 | 77% | 0.768 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -17.1 | 172.9 | -63.4 | -172.9 | 59.9 | 0 | 0 | 113 | D101 | D101-M103 PolarHBondContact O-N 2.89Å; D101-M103 WeakPolarHBondContact OD1-CB 3.45Å; D101-M103 PolarHBondContact OD1-N 3.31Å |
| 104 | F | 58.1 | Low | 61.5 | Low | 150 Ų | 150 | 123.9 Ų | 123.9 | 66% | 0.658 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -130.7 | 77.4 | 174.3 | -77.3 | -84.5 | 0 | 0 | 0 | 111.6 | D101 N106 | D101-F104 CarbonylContact O-C 3.42Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å; F104-N106 PolarHBondContact O-N 2.87Å |
| 105 | P | 53 | Low | 62.9 | Low | 85 Ų | 85 | 123.7 Ų | 123.7 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | trans | -53.1 | 137.2 | 177.3 | -25.4 | 34.4 | 0 | 0 | 0 | 112.3 | D107 | P105-D107 PolarHBondContact O-N 3.21Š| ||
| 106 | N | 58 | Low | 64.4 | Low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 62% | 0.618 | S | S | * | * | trans | -37.6 | 99.9 | -172.7 | -108.8 | -14 | 0 | 0 | 0 | 114.3 | F104 Y108 | F104-N106 PolarHBondContact O-N 2.87Å; N106-Y108 PolarHBondContact O-N 2.57Å | ||
| 107 | D | 59.8 | Low | 66.2 | Low | 80 Ų | 80 | 125.5 Ų | 125.5 | 43% | 0.428 | 61% | 0.608 | S | S | . | * | trans | -75.9 | 97.8 | -174.8 | -162.5 | 0.3 | 0 | 0 | 0 | 109 | P105 E109 K110 V111 | P105-D107 PolarHBondContact O-N 3.21Å; D107-E109 PolarHBondContact O-N 3.42Å; D107-K110 HydrophobicContact CB-CD 3.97Å; D107-K110 HydrophobicContact CB-CG 4.18Å; D107-K110 WeakPolarHBondContact O-CB 3.2Å; D107-K110 PolarHBondContact O-N 3.28Å; D107-K110 WeakPolarHBondContact OD2-CE 3.3Å; D107-K110 IonicContact OD2-NZ 2.76Å; D107-K110 PolarHBondContact OD2-NZ 3.48Å; D107-V111 PolarHBondContact O-N 3.39Å | ||
| 108 | Y | 53.1 | Low | 67.6 | Low | 172 Ų | 172 | 125.5 Ų | 125.5 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -51.7 | -32.9 | -166.5 | 177.8 | -100.8 | 0 | 0 | 0 | 113.6 | N106 K110 V111 M112 | N106-Y108 PolarHBondContact O-N 2.57Å; Y108-K110 PolarHBondContact O-N 3.42Å; Y108-V111 PolarHBondContact O-N 3.15Å; Y108-M112 HydrophobicContact CD1-CG 4.15Å; Y108-M112 HydrophobicContact CE1-CG 3.79Å; Y108-M112 HydrophobicContact CE2-CG 4.2Å; Y108-M112 WeakPolarHBondContact O-CB 3.35Å; Y108-M112 WeakPolarHBondContact O-CG 3.35Å; Y108-M112 PolarHBondContact O-N 2.86Å |
| 109 | E | 61.1 | Low | 68.6 | Low | 152 Ų | 152 | 124.8 Ų | 124.8 | 71% | 0.71 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -36.6 | 175.8 | -61.1 | -161 | 156.6 | 0 | 0 | 113.1 | D107 K113 | D107-E109 PolarHBondContact O-N 3.42Å; E109-K113 WeakPolarHBondContact O-CB 3.42Å; E109-K113 PolarHBondContact O-N 3.21Å |
| 110 | K | 69.8 | Low | 69.7 | Low | 128 Ų | 128 | 121.5 Ų | 121.5 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.1 | -39.9 | 178.1 | -63.5 | -179.5 | -174.8 | 135.4 | 0 | 111.4 | D107 Y108 K113 R114 | D107-K110 HydrophobicContact CB-CD 3.97Å; D107-K110 HydrophobicContact CB-CG 4.18Å; D107-K110 WeakPolarHBondContact O-CB 3.2Å; D107-K110 PolarHBondContact O-N 3.28Å; D107-K110 WeakPolarHBondContact OD2-CE 3.3Å; D107-K110 IonicContact OD2-NZ 2.76Å; D107-K110 PolarHBondContact OD2-NZ 3.48Å; Y108-K110 PolarHBondContact O-N 3.42Å; K110-K113 PolarHBondContact O-N 2.92Å; K110-R114 WeakPolarHBondContact O-CB 3.44Å; K110-R114 PolarHBondContact O-N 3.31Å |
| 111 | V | 70.9 | Confident | 71.5 | Confident | 74 Ų | 74 | 121 Ų | 121 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65 | -47.2 | 174.8 | -180 | 0 | 0 | 0 | 0 | 110.6 | D107 Y108 K113 R114 H115 | D107-V111 PolarHBondContact O-N 3.39Å; Y108-V111 PolarHBondContact O-N 3.15Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3.43Å; V111-R114 PolarHBondContact O-N 2.94Å; V111-H115 WeakPolarHBondContact O-CB 3.43Å; V111-H115 PolarHBondContact O-N 3.03Å |
| 112 | M | 73.4 | Confident | 72.9 | Confident | 97 Ų | 97 | 123.7 Ų | 123.7 | 48% | 0.478 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.1 | -34.9 | 176.3 | -73.1 | -63.6 | -67.6 | 0 | 0 | 112.6 | Y108 R116 | Y108-M112 HydrophobicContact CD1-CG 4.15Å; Y108-M112 HydrophobicContact CE1-CG 3.79Å; Y108-M112 HydrophobicContact CE2-CG 4.2Å; Y108-M112 WeakPolarHBondContact O-CB 3.35Å; Y108-M112 WeakPolarHBondContact O-CG 3.35Å; Y108-M112 PolarHBondContact O-N 2.86Å; M112-R116 VanDerWaalsContact O-CB 3.27Å; M112-R116 WeakPolarHBondContact O-CB 3.45Å; M112-R116 PolarHBondContact O-N 3.03Å |
| 113 | K | 81.1 | Confident | 74.2 | Confident | 126 Ų | 126 | 127.3 Ų | 127.3 | 55% | 0.548 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.8 | -50 | 173 | -176.8 | 177.8 | 172.3 | -176.4 | 0 | 111.6 | E109 K110 V111 H115 R116 E117 | E109-K113 WeakPolarHBondContact O-CB 3.42Å; E109-K113 PolarHBondContact O-N 3.21Å; K110-K113 PolarHBondContact O-N 2.92Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3.43Å; K113-H115 VanDerWaalsContact C-N 3.33Å; K113-H115 PolarHBondContact O-N 3.23Å; K113-R116 PolarHBondContact O-N 3.28Å; K113-R116 VanDerWaalsContact O-N 3.13Å; K113-E117 WeakPolarHBondContact CE-OE1 3.46Å; K113-E117 HydrophobicContact CG-CG 4.44Å; K113-E117 WeakPolarHBondContact CG-OE1 3.32Å; K113-E117 IonicContact NZ-OE1 3.93Å; K113-E117 WeakPolarHBondContact O-CB 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.3Å |
| 114 | R | 79.5 | Confident | 75.7 | Confident | 151 Ų | 151 | 123.5 Ų | 123.5 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.3 | -48.1 | 175.9 | -168.2 | -169.6 | -118.3 | -178.1 | 2.9 | 110.8 | D98 K110 V111 R116 E117 E118 | D98-R114 IonicContact OD1-NH1 2.94Å; D98-R114 IonicContact OD1-NH2 2.73Å; D98-R114 IonicContact OD2-CZ 3.7Å; D98-R114 IonicContact OD2-NH1 3.88Å; D98-R114 PolarHBondContact OD2-NH1 3.34Å; D98-R114 IonicContact OD2-NH2 3.91Å; K110-R114 WeakPolarHBondContact O-CB 3.44Å; K110-R114 PolarHBondContact O-N 3.31Å; V111-R114 PolarHBondContact O-N 2.94Å; R114-R116 PolarHBondContact O-N 3.02Å; R114-E117 PolarHBondContact O-N 3.42Å; R114-E118 WeakPolarHBondContact O-CB 3.35Å; R114-E118 PolarHBondContact O-N 2.98Å |
| 115 | H | 80.5 | Confident | 77.2 | Confident | 116 Ų | 116 | 121.3 Ų | 121.3 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 178.3 | -173.9 | -97.2 | 0 | 0 | 0 | 113 | V111 K113 M119 | V111-H115 WeakPolarHBondContact O-CB 3.43Å; V111-H115 PolarHBondContact O-N 3.03Å; K113-H115 VanDerWaalsContact C-N 3.33Å; K113-H115 PolarHBondContact O-N 3.23Å; H115-M119 WeakPolarHBondContact O-CB 3.27Å; H115-M119 WeakPolarHBondContact O-CG 3.08Å; H115-M119 PolarHBondContact O-N 2.61Å |
| 116 | R | 83.1 | Confident | 78.9 | Confident | 193 Ų | 193 | 123.4 Ų | 123.4 | 73% | 0.728 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.5 | -42.9 | 176.2 | -176.1 | 176.8 | -179.5 | 174.1 | -0.1 | 112.2 | M112 K113 R114 Q120 | M112-R116 VanDerWaalsContact O-CB 3.27Å; M112-R116 WeakPolarHBondContact O-CB 3.45Å; M112-R116 PolarHBondContact O-N 3.03Å; K113-R116 PolarHBondContact O-N 3.28Å; K113-R116 VanDerWaalsContact O-N 3.13Å; R114-R116 PolarHBondContact O-N 3.02Å; R116-Q120 WeakPolarHBondContact O-CB 3.28Å; R116-Q120 PolarHBondContact O-N 2.73Å |
| 117 | E | 87.1 | Confident | 80.5 | Confident | 105 Ų | 105 | 123 Ų | 123 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.4 | -73.5 | 172.5 | 176.9 | 0 | 0 | 111.2 | K113 R114 Q120 R121 | K113-E117 WeakPolarHBondContact CE-OE1 3.46Å; K113-E117 HydrophobicContact CG-CG 4.44Å; K113-E117 WeakPolarHBondContact CG-OE1 3.32Å; K113-E117 IonicContact NZ-OE1 3.93Å; K113-E117 WeakPolarHBondContact O-CB 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.3Å; R114-E117 PolarHBondContact O-N 3.42Å; E117-Q120 PolarHBondContact O-N 3.35Å; E117-R121 WeakPolarHBondContact O-CB 3.3Å; E117-R121 PolarHBondContact O-N 3.41Å |
| 118 | E | 86.8 | Confident | 82 | Confident | 100 Ų | 100 | 125.9 Ų | 125.9 | 47% | 0.467 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.5 | -44 | 175.6 | 179.9 | 158 | -132 | 0 | 0 | 112.8 | R114 Q120 R121 K122 | R114-E118 WeakPolarHBondContact O-CB 3.35Å; R114-E118 PolarHBondContact O-N 2.98Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.37Å; E118-R121 PolarHBondContact O-N 2.81Å; E118-R121 IonicContact OE1-NH2 3.91Å; E118-R121 PolarHBondContact OE1-NH2 2.92Å; E118-K122 WeakPolarHBondContact O-CB 3.36Å; E118-K122 PolarHBondContact O-N 3.26Å |
| 119 | M | 82.6 | Confident | 83.8 | Confident | 107 Ų | 107 | 124.3 Ų | 124.3 | 53% | 0.527 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 173.7 | -76.9 | -63.4 | -64.9 | 0 | 0 | 112.3 | H115 R123 | H115-M119 WeakPolarHBondContact O-CB 3.27Å; H115-M119 WeakPolarHBondContact O-CG 3.08Å; H115-M119 PolarHBondContact O-N 2.61Å; M119-R123 PolarHBondContact O-N 2.98Å |
| 120 | Q | 90 | Very high | 85.3 | Confident | 108 Ų | 108 | 122.9 Ų | 122.9 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -46.9 | 174 | -178.5 | 169.8 | -20.1 | 0 | 0 | 111.7 | R116 E117 E118 K122 R123 E124 | R116-Q120 WeakPolarHBondContact O-CB 3.28Å; R116-Q120 PolarHBondContact O-N 2.73Å; E117-Q120 PolarHBondContact O-N 3.35Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.37Å; Q120-K122 VanDerWaalsContact C-N 3.32Å; Q120-K122 PolarHBondContact O-N 3.42Å; Q120-R123 CarbonylContact O-C 3.43Å; Q120-R123 WeakPolarHBondContact O-CB 3.47Å; Q120-R123 PolarHBondContact O-N 3.26Å; Q120-R123 VanDerWaalsContact O-N 3.12Å; Q120-E124 VanDerWaalsContact CG-OE1 3.29Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.49Å; Q120-E124 PolarHBondContact NE2-OE1 3.43Å; Q120-E124 PolarHBondContact O-N 3.31Å |
| 121 | R | 92 | Very high | 86.3 | Confident | 136 Ų | 136 | 122 Ų | 122 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 175.8 | -175.4 | -176.6 | 69.5 | 169.4 | -2.9 | 111.6 | E117 E118 R123 E124 Q125 | E117-R121 WeakPolarHBondContact O-CB 3.3Å; E117-R121 PolarHBondContact O-N 3.41Å; E118-R121 PolarHBondContact O-N 2.81Å; E118-R121 IonicContact OE1-NH2 3.91Å; E118-R121 PolarHBondContact OE1-NH2 2.92Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-R123 PolarHBondContact O-N 3.18Å; R121-E124 PolarHBondContact O-N 3.48Å; R121-Q125 WeakPolarHBondContact O-CG 3.46Å; R121-Q125 PolarHBondContact O-N 3.35Å |
| 122 | K | 91.4 | Very high | 87.3 | Confident | 139 Ų | 139 | 124.8 Ų | 124.8 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 175.7 | -173.7 | 175.6 | -178.1 | 176.2 | 0 | 111.4 | E118 Q120 E124 Q125 E126 | E118-K122 WeakPolarHBondContact O-CB 3.36Å; E118-K122 PolarHBondContact O-N 3.26Å; Q120-K122 VanDerWaalsContact C-N 3.32Å; Q120-K122 PolarHBondContact O-N 3.42Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 3.46Å; K122-Q125 PolarHBondContact O-N 3.06Å; K122-E126 WeakPolarHBondContact O-CB 3.45Å; K122-E126 PolarHBondContact O-N 3.02Å |
| 123 | R | 88.8 | Confident | 88.1 | Confident | 173 Ų | 173 | 126.5 Ų | 126.5 | 65% | 0.653 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.9 | -28 | 177.1 | -156.5 | -178.4 | -156.8 | -167.3 | 6.2 | 113.3 | M119 Q120 R121 R127 | M119-R123 PolarHBondContact O-N 2.98Å; Q120-R123 CarbonylContact O-C 3.43Å; Q120-R123 WeakPolarHBondContact O-CB 3.47Å; Q120-R123 PolarHBondContact O-N 3.26Å; Q120-R123 VanDerWaalsContact O-N 3.12Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-R123 PolarHBondContact O-N 3.18Å; R123-R127 VanDerWaalsContact C-NH1 3.34Å; R123-R127 WeakPolarHBondContact O-CG 3.29Å; R123-R127 PolarHBondContact O-N 3.06Å; R123-R127 PolarHBondContact O-NH1 3.04Å |
| 124 | E | 89.4 | Confident | 88.3 | Confident | 76 Ų | 76 | 128.7 Ų | 128.7 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.6 | -45 | 172.5 | -83.4 | 158.6 | -161.3 | 0 | 0 | 111.2 | Q120 R121 K122 E126 R127 Q128 | Q120-E124 VanDerWaalsContact CG-OE1 3.29Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.49Å; Q120-E124 PolarHBondContact NE2-OE1 3.43Å; Q120-E124 PolarHBondContact O-N 3.31Å; R121-E124 PolarHBondContact O-N 3.48Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 3.46Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.22Å; E124-R127 PolarHBondContact O-N 3.38Å; E124-R127 IonicContact OE1-NH2 2.85Å; E124-Q128 WeakPolarHBondContact O-CB 3.13Å; E124-Q128 PolarHBondContact O-N 3.03Å |
| 125 | Q | 89.4 | Confident | 88.8 | Confident | 104 Ų | 104 | 127.8 Ų | 127.8 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -38.2 | 172.3 | -72 | 176.9 | 2 | 0 | 0 | 112.8 | R121 K122 Q128 K129 | R121-Q125 WeakPolarHBondContact O-CG 3.46Å; R121-Q125 PolarHBondContact O-N 3.35Å; K122-Q125 PolarHBondContact O-N 3.06Å; Q125-Q128 PolarHBondContact O-N 3.14Å; Q125-K129 WeakPolarHBondContact O-CB 3.44Å; Q125-K129 WeakPolarHBondContact O-CG 3.31Å; Q125-K129 PolarHBondContact O-N 3.4Å |
| 126 | E | 89.6 | Confident | 89.4 | Confident | 130 Ų | 130 | 129.4 Ų | 129.4 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.5 | -47.4 | 174.3 | -172.8 | 176.9 | -159.7 | 0 | 0 | 111.5 | K122 E124 Q128 K129 E130 | K122-E126 WeakPolarHBondContact O-CB 3.45Å; K122-E126 PolarHBondContact O-N 3.02Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.22Å; E126-Q128 PolarHBondContact O-N 3.15Å; E126-K129 PolarHBondContact O-N 3.2Å; E126-E130 PolarHBondContact O-N 2.88Å |
| 127 | R | 90.8 | Very high | 89.4 | Confident | 117 Ų | 117 | 127.2 Ų | 127.2 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -38.2 | 173.7 | -68.8 | -167.6 | -47.5 | -81.8 | 15.9 | 112.7 | R123 E124 K129 E130 I131 | R123-R127 VanDerWaalsContact C-NH1 3.34Å; R123-R127 WeakPolarHBondContact O-CG 3.29Å; R123-R127 PolarHBondContact O-N 3.06Å; R123-R127 PolarHBondContact O-NH1 3.04Å; E124-R127 PolarHBondContact O-N 3.38Å; E124-R127 IonicContact OE1-NH2 2.85Å; R127-K129 VanDerWaalsContact C-N 3.35Å; R127-E130 PolarHBondContact O-N 3.49Å; R127-I131 WeakPolarHBondContact O-CD1 3.42Å; R127-I131 VanDerWaalsContact O-CG1 3.25Å; R127-I131 WeakPolarHBondContact O-CG1 3.27Å; R127-I131 PolarHBondContact O-N 3.09Å |
| 128 | Q | 91.1 | Very high | 89.1 | Confident | 139 Ų | 139 | 130.7 Ų | 130.7 | 65% | 0.65 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.1 | -46.2 | 177.4 | -159.1 | 92.5 | 20.6 | 0 | 0 | 110.3 | E124 Q125 E126 I131 E132 | E124-Q128 WeakPolarHBondContact O-CB 3.13Å; E124-Q128 PolarHBondContact O-N 3.03Å; Q125-Q128 PolarHBondContact O-N 3.14Å; E126-Q128 PolarHBondContact O-N 3.15Å; Q128-I131 PolarHBondContact O-N 3.3Å; Q128-E132 WeakPolarHBondContact O-CB 3.42Å; Q128-E132 PolarHBondContact O-N 2.85Å |
| 129 | K | 92.8 | Very high | 89.1 | Confident | 139 Ų | 139 | 132.3 Ų | 132.3 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -39.8 | 176.2 | -74 | 179.5 | 177.4 | -172 | 0 | 112.8 | Q125 E126 R127 I131 E132 E133 | Q125-K129 WeakPolarHBondContact O-CB 3.44Å; Q125-K129 WeakPolarHBondContact O-CG 3.31Å; Q125-K129 PolarHBondContact O-N 3.4Å; E126-K129 PolarHBondContact O-N 3.2Å; R127-K129 VanDerWaalsContact C-N 3.35Å; K129-I131 VanDerWaalsContact C-N 3.31Å; K129-I131 PolarHBondContact O-N 3.31Å; K129-E132 PolarHBondContact O-N 3.21Å; K129-E133 VanDerWaalsContact O-CB 3.25Å; K129-E133 WeakPolarHBondContact O-CB 3.38Å; K129-E133 PolarHBondContact O-N 3.42Å |
| 130 | E | 91.1 | Very high | 88.9 | Confident | 123 Ų | 123 | 133.3 Ų | 133.3 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.1 | -40.1 | 174.7 | -171.3 | -168.9 | 166.9 | 0 | 0 | 111.6 | E126 R127 R134 | E126-E130 PolarHBondContact O-N 2.88Å; R127-E130 PolarHBondContact O-N 3.49Å; E130-R134 VanDerWaalsContact O-CB 3.25Å; E130-R134 WeakPolarHBondContact O-CB 3.47Å; E130-R134 PolarHBondContact O-N 3.14Å |
| 131 | I | 90.9 | Very high | 88.1 | Confident | 110 Ų | 110 | 136.1 Ų | 136.1 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.6 | -47.9 | 176.1 | -67.4 | 163.3 | 0 | 0 | 0 | 110.6 | R127 Q128 K129 R134 E135 | R127-I131 WeakPolarHBondContact O-CD1 3.42Å; R127-I131 VanDerWaalsContact O-CG1 3.25Å; R127-I131 WeakPolarHBondContact O-CG1 3.27Å; R127-I131 PolarHBondContact O-N 3.09Å; Q128-I131 PolarHBondContact O-N 3.3Å; K129-I131 VanDerWaalsContact C-N 3.31Å; K129-I131 PolarHBondContact O-N 3.31Å; I131-R134 PolarHBondContact O-N 3.46Å; I131-E135 WeakPolarHBondContact O-CB 3.36Å; I131-E135 PolarHBondContact O-N 3.46Å |
| 132 | E | 91.7 | Very high | 87 | Confident | 131 Ų | 131 | 137.8 Ų | 137.8 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.6 | -42.4 | 178.3 | -173.8 | -177.6 | 179.5 | 0 | 0 | 112 | Q128 K129 E135 K136 | Q128-E132 WeakPolarHBondContact O-CB 3.42Å; Q128-E132 PolarHBondContact O-N 2.85Å; K129-E132 PolarHBondContact O-N 3.21Å; E132-E135 PolarHBondContact O-N 3.12Å; E132-K136 VanDerWaalsContact O-CB 3.31Å; E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 PolarHBondContact O-N 2.86Å |
| 133 | E | 90.9 | Very high | 85.8 | Confident | 134 Ų | 134 | 137.8 Ų | 137.8 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.2 | -43.1 | 174.5 | -173.9 | -172.4 | 169.6 | 0 | 0 | 111.4 | K129 E135 K136 R137 | K129-E133 VanDerWaalsContact O-CB 3.25Å; K129-E133 WeakPolarHBondContact O-CB 3.38Å; K129-E133 PolarHBondContact O-N 3.42Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.22Å; E133-K136 PolarHBondContact O-N 2.98Å; E133-R137 VanDerWaalsContact O-CB 3.23Å; E133-R137 WeakPolarHBondContact O-CB 3.27Å; E133-R137 PolarHBondContact O-N 3.24Å |
| 134 | R | 86.1 | Confident | 84.2 | Confident | 171 Ų | 171 | 132 Ų | 132 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.1 | -35.4 | 177 | -171.8 | -177.5 | -173.3 | 104.8 | -0.3 | 112.2 | E130 I131 R138 | E130-R134 VanDerWaalsContact O-CB 3.25Å; E130-R134 WeakPolarHBondContact O-CB 3.47Å; E130-R134 PolarHBondContact O-N 3.14Å; I131-R134 PolarHBondContact O-N 3.46Å; R134-R138 WeakPolarHBondContact O-CG 3.26Å; R134-R138 PolarHBondContact O-N 3.39Å |
| 135 | E | 89.6 | Confident | 82.1 | Confident | 133 Ų | 133 | 131.6 Ų | 131.6 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.8 | -46.9 | 174.5 | -170.7 | 174.3 | 175.1 | 0 | 0 | 111.3 | I131 E132 E133 R137 R138 K139 | I131-E135 WeakPolarHBondContact O-CB 3.36Å; I131-E135 PolarHBondContact O-N 3.46Å; E132-E135 PolarHBondContact O-N 3.12Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.22Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3.27Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.4Å; E135-R138 PolarHBondContact O-N 3.34Å; E135-K139 PolarHBondContact O-N 2.99Å |
| 136 | K | 91.5 | Very high | 80 | Confident | 150 Ų | 150 | 131.1 Ų | 131.1 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54 | -46.5 | 172.5 | -176.2 | -178.3 | 176.7 | -174.8 | 0 | 111.4 | E132 E133 R138 K139 E140 | E132-K136 VanDerWaalsContact O-CB 3.31Å; E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 PolarHBondContact O-N 2.86Å; E133-K136 PolarHBondContact O-N 2.98Å; K136-R138 PolarHBondContact O-N 2.66Å; K136-K139 PolarHBondContact O-N 3.31Å; K136-K139 VanDerWaalsContact O-N 3.16Å; K136-E140 WeakPolarHBondContact O-CB 3.27Å; K136-E140 PolarHBondContact O-N 3.06Å |
| 137 | R | 83.8 | Confident | 78 | Confident | 146 Ų | 146 | 131 Ų | 131 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.5 | -13.5 | 177 | -172 | 172.2 | 178.9 | -93 | 7.6 | 114.1 | E133 E135 R141 | E133-R137 VanDerWaalsContact O-CB 3.23Å; E133-R137 WeakPolarHBondContact O-CB 3.27Å; E133-R137 PolarHBondContact O-N 3.24Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3.27Å; R137-R141 VanDerWaalsContact CZ-NH2 3.32Å; R137-R141 WeakPolarHBondContact O-CD 3.19Å; R137-R141 WeakPolarHBondContact O-CG 3.39Å; R137-R141 PolarHBondContact O-NE 2.71Å |
| 138 | R | 81.6 | Confident | 75.9 | Confident | 179 Ų | 179 | 131.7 Ų | 131.7 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -85.6 | -46.3 | 166.2 | -80.1 | 175.9 | 162.7 | -171.8 | -6.8 | 110.9 | R134 E135 K136 E140 R141 H142 | R134-R138 WeakPolarHBondContact O-CG 3.26Å; R134-R138 PolarHBondContact O-N 3.39Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.4Å; E135-R138 PolarHBondContact O-N 3.34Å; K136-R138 PolarHBondContact O-N 2.66Å; R138-E140 VanDerWaalsContact C-N 3.34Å; R138-E140 PolarHBondContact O-N 3.28Å; R138-R141 WeakPolarHBondContact O-CB 3.4Å; R138-R141 PolarHBondContact O-N 3.22Å; R138-H142 PolarHBondContact O-N 3.23Å |
| 139 | K | 85.3 | Confident | 73.7 | Confident | 133 Ų | 133 | 128 Ų | 128 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.4 | -45.5 | 177.1 | -173.7 | 178 | 177.5 | -169.7 | 0 | 111.6 | E135 K136 R141 H142 E143 | E135-K139 PolarHBondContact O-N 2.99Å; K136-K139 PolarHBondContact O-N 3.31Å; K136-K139 VanDerWaalsContact O-N 3.16Å; K139-R141 PolarHBondContact O-N 3Å; K139-H142 CarbonylContact O-C 3.58Å; K139-H142 WeakPolarHBondContact O-CA 3.46Å; K139-H142 WeakPolarHBondContact O-CB 3.47Å; K139-H142 PolarHBondContact O-N 3.02Å; K139-E143 WeakPolarHBondContact CE-OE2 3.46Å; K139-E143 IonicContact NZ-OE2 3.6Å; K139-E143 WeakPolarHBondContact O-CB 3.41Å; K139-E143 PolarHBondContact O-N 3Å |
| 140 | E | 78.9 | Confident | 71.1 | Confident | 128 Ų | 128 | 131.6 Ų | 131.6 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -57.4 | -33.2 | 177.3 | -173.3 | 176.9 | -159.2 | 0 | 0 | 113.2 | K136 R138 H142 G144 | K136-E140 WeakPolarHBondContact O-CB 3.27Å; K136-E140 PolarHBondContact O-N 3.06Å; R138-E140 VanDerWaalsContact C-N 3.34Å; R138-E140 PolarHBondContact O-N 3.28Å; E140-H142 VanDerWaalsContact C-N 3.35Å; E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 3.01Å |
| 141 | R | 73.6 | Confident | 68.6 | Low | 167 Ų | 167 | 130.5 Ų | 130.5 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.9 | -21.7 | 173.8 | -65.9 | 170.8 | -171.4 | -93.8 | -14.1 | 113.9 | R137 R138 K139 | R137-R141 VanDerWaalsContact CZ-NH2 3.32Å; R137-R141 WeakPolarHBondContact O-CD 3.19Å; R137-R141 WeakPolarHBondContact O-CG 3.39Å; R137-R141 PolarHBondContact O-NE 2.71Å; R138-R141 WeakPolarHBondContact O-CB 3.4Å; R138-R141 PolarHBondContact O-N 3.22Å; K139-R141 PolarHBondContact O-N 3Å |
| 142 | H | 69.8 | Low | 66.5 | Low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -94.7 | -24.9 | -179.3 | -164.4 | -63.4 | 0 | 0 | 0 | 111.7 | R138 K139 E140 | R138-H142 PolarHBondContact O-N 3.23Å; K139-H142 CarbonylContact O-C 3.58Å; K139-H142 WeakPolarHBondContact O-CA 3.46Å; K139-H142 WeakPolarHBondContact O-CB 3.47Å; K139-H142 PolarHBondContact O-N 3.02Å; E140-H142 VanDerWaalsContact C-N 3.35Å |
| 143 | E | 66 | Low | 63.6 | Low | 138 Ų | 138 | 140.3 Ų | 140.3 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -94.9 | -34.1 | 178.6 | -165.4 | 166.1 | -164.3 | 0 | 0 | 111.4 | K139 G145 | K139-E143 WeakPolarHBondContact CE-OE2 3.46Å; K139-E143 IonicContact NZ-OE2 3.6Å; K139-E143 WeakPolarHBondContact O-CB 3.41Å; K139-E143 PolarHBondContact O-N 3Å; E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.17Å |
| 144 | G | 55 | Low | 61.5 | Low | 53 Ų | 53 | 138.6 Ų | 138.6 | 55% | 0.546 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -76 | 75.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | E140 A146 | E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 3.01Å; G144-A146 PolarHBondContact O-N 3.04Å |
| 145 | G | 45.3 | Very low | 59 | Low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 124.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E143 | E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.17Å |
| 146 | A | 45 | Very low | 56.1 | Low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G144 S148 | G144-A146 PolarHBondContact O-N 3.04Å; A146-S148 PolarHBondContact O-N 3.24Å |
| 147 | P | 46.9 | Very low | 53.6 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 130.3 | 173.6 | 27.9 | -33 | 0 | 0 | 0 | 110.1 | G149 | P147-G149 PolarHBondContact O-N 2.72Š|
| 148 | S | 47.2 | Very low | 51.5 | Low | 131 Ų | 131 | 136.6 Ų | 136.6 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57 | 127.5 | 172.7 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | A146 | A146-S148 PolarHBondContact O-N 3.24Š|
| 149 | G | 44.4 | Very low | 49.2 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -178.8 | 124.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P147 | P147-G149 PolarHBondContact O-N 2.72Š| ||
| 150 | F | 38.7 | Very low | 47.1 | Very low | 213 Ų | 213 | 133.6 Ų | 133.6 | 93% | 0.934 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 68.5 | 101.8 | -176.8 | -124.3 | -106.6 | 0 | 0 | 0 | 113.4 | ||
| 151 | S | 38.3 | Very low | 45.4 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -149.3 | 143.9 | 18.9 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 152 | R | 47 | Very low | 43.8 | Very low | 241 Ų | 241 | 133.8 Ų | 133.8 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -103.7 | 141.3 | 163 | -76.5 | -175.1 | 174 | -163.3 | -1.9 | 109.7 | ||||
| 153 | F | 30.1 | Very low | 42.5 | Very low | 206 Ų | 206 | 134.1 Ų | 134.1 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | trans | -161.8 | 159.7 | 131.6 | -121.4 | -123 | 0 | 0 | 0 | 107.9 | ||||
| 154 | P | 47.1 | Very low | 41.6 | Very low | 98 Ų | 98 | 134 Ų | 134 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | -133.5 | -172.7 | -124.3 | 37.4 | -16.8 | 0 | 0 | 0 | 114.9 | |||||
| 155 | A | 34.4 | Very low | 41.1 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | trans | 71.2 | 145.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 156 | T | 28.8 | Very low | 41.1 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | cis | -167.1 | 153.2 | 4.2 | 6.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 157 | E | 38 | Very low | 41.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | 40.9 | 146.5 | 154.5 | -49.1 | -59.8 | 129.6 | 0 | 0 | 121.4 | ||||
| 158 | E | 40.6 | Very low | 42 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | 61.8 | 120.5 | 171.2 | -59.2 | 173.3 | 134.6 | 0 | 0 | 114.4 | ||||
| 159 | D | 31.9 | Very low | 42.1 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | -162.9 | 157.5 | 57.5 | -141.8 | -29 | 0 | 0 | 0 | 111.3 | |||||
| 160 | S | 42.2 | Very low | 42.1 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -106.7 | 4.3 | -169.2 | -169.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 161 | D | 42.6 | Very low | 42.7 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -121.6 | 7.4 | -162.6 | -77.7 | -24.9 | 0 | 0 | 0 | 116 | ||||
| 162 | E | 40.5 | Very low | 43.2 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -83 | -22.8 | -176.2 | -65.7 | -161.3 | 163.9 | 0 | 0 | 115.8 | E164 E165 | E162-E164 VanDerWaalsContact C-N 3.3Å; E162-E164 PolarHBondContact O-N 3.27Å; E162-E165 PolarHBondContact O-N 3.38Å |
| 163 | E | 43.4 | Very low | 43.3 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -67.3 | -28.1 | -177.4 | -71.9 | -163.8 | 149.3 | 0 | 0 | 113.2 | E165 | E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 3Å |
| 164 | E | 46.2 | Very low | 44 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -77.7 | -14.3 | -175.8 | -129.5 | -157.5 | -138.6 | 0 | 0 | 114.2 | E162 K168 | E162-E164 VanDerWaalsContact C-N 3.3Å; E162-E164 PolarHBondContact O-N 3.27Å; E164-K168 WeakPolarHBondContact O-CD 3.39Å; E164-K168 PolarHBondContact O-NZ 2.79Å; E164-K168 IonicContact OE2-NZ 2.63Å; E164-K168 PolarHBondContact OE2-NZ 3.39Å |
| 165 | E | 44.6 | Very low | 44.1 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 71% | 0.71 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -84.8 | -37.1 | 175.3 | -173.6 | 153.5 | -143.8 | 0 | 0 | 111.8 | E162 E163 E167 K168 E169 | E162-E165 PolarHBondContact O-N 3.38Å; E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 3Å; E165-E167 PolarHBondContact O-N 3.43Å; E165-K168 PolarHBondContact O-N 2.96Å; E165-E169 PolarHBondContact O-N 2.64Å |
| 166 | Y | 45.8 | Very low | 44.3 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | -178.1 | -158 | -99.4 | 0 | 0 | 0 | 112.9 | E169 W170 | Y166-E169 PolarHBondContact O-N 2.62Å; Y166-W170 PolarHBondContact O-N 3.35Å |
| 167 | E | 56.8 | Low | 45.1 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69.4 | -32.2 | 176 | -74.9 | -155.2 | 125.5 | 0 | 0 | 113.3 | E165 E169 R171 | E165-E167 PolarHBondContact O-N 3.43Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E167-R171 WeakPolarHBondContact O-CG 3.47Å; E167-R171 PolarHBondContact O-N 3.02Å; E167-R171 VanDerWaalsContact O-N 3.09Å |
| 168 | K | 53.8 | Low | 45.1 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 48% | 0.483 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -68.8 | -35.4 | 173.2 | -72.4 | 169.3 | -168.6 | 138.8 | 0 | 111.1 | E164 E165 K172 | E164-K168 WeakPolarHBondContact O-CD 3.39Å; E164-K168 PolarHBondContact O-NZ 2.79Å; E164-K168 IonicContact OE2-NZ 2.63Å; E164-K168 PolarHBondContact OE2-NZ 3.39Å; E165-K168 PolarHBondContact O-N 2.96Å; K168-K172 WeakPolarHBondContact O-CG 3.17Å; K168-K172 PolarHBondContact O-N 2.91Å |
| 169 | E | 49.2 | Very low | 45.5 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 46% | 0.458 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -71 | -42.4 | 176.4 | -130.1 | -149.5 | 152.2 | 0 | 0 | 112.5 | E165 Y166 E167 R171 K172 R173 | E165-E169 PolarHBondContact O-N 2.64Å; Y166-E169 PolarHBondContact O-N 2.62Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 3.33Å; E169-K172 PolarHBondContact O-N 3.23Å; E169-R173 VanDerWaalsContact CD-NH2 3.34Å; E169-R173 PolarHBondContact O-N 2.93Å; E169-R173 IonicContact OE1-CZ 3.8Å; E169-R173 IonicContact OE1-NH2 2.66Å; E169-R173 PolarHBondContact OE1-NH2 3.41Å; E169-R173 IonicContact OE2-NH2 2.7Å |
| 170 | W | 43.6 | Very low | 46.1 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -57.9 | -48.2 | 173.8 | 176.9 | -90.1 | 0 | 0 | 0 | 111.8 | Y166 K172 R173 | Y166-W170 PolarHBondContact O-N 3.35Å; W170-K172 VanDerWaalsContact C-N 3.33Å; W170-K172 PolarHBondContact O-N 3.16Å; W170-R173 PolarHBondContact O-N 2.62Å; W170-R173 VanDerWaalsContact O-N 3.09Å |
| 171 | R | 52.4 | Low | 46.5 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -63.8 | -33.7 | 179.7 | -76.4 | -176.1 | 177.7 | -171.6 | 2.9 | 113.3 | E167 E169 R173 | E167-R171 WeakPolarHBondContact O-CG 3.47Å; E167-R171 PolarHBondContact O-N 3.02Å; E167-R171 VanDerWaalsContact O-N 3.09Å; E169-R171 PolarHBondContact O-N 3.33Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 PolarHBondContact O-N 3.13Å |
| 172 | K | 47.3 | Very low | 47 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -67.1 | -29.6 | 173.8 | -76.5 | 173.3 | -179.3 | 171.2 | 0 | 112.8 | K168 E169 W170 S174 | K168-K172 WeakPolarHBondContact O-CG 3.17Å; K168-K172 PolarHBondContact O-N 2.91Å; E169-K172 PolarHBondContact O-N 3.23Å; W170-K172 VanDerWaalsContact C-N 3.33Å; W170-K172 PolarHBondContact O-N 3.16Å; K172-S174 VanDerWaalsContact C-N 3.34Å; K172-S174 PolarHBondContact O-N 3.24Å |
| 173 | R | 49.1 | Very low | 47.5 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -80.5 | -10 | -176.5 | -133.4 | 169.3 | -82.5 | -147.6 | 0.1 | 114.3 | E169 W170 R171 | E169-R173 VanDerWaalsContact CD-NH2 3.34Å; E169-R173 PolarHBondContact O-N 2.93Å; E169-R173 IonicContact OE1-CZ 3.8Å; E169-R173 IonicContact OE1-NH2 2.66Å; E169-R173 PolarHBondContact OE1-NH2 3.41Å; E169-R173 IonicContact OE2-NH2 2.7Å; W170-R173 PolarHBondContact O-N 2.62Å; W170-R173 VanDerWaalsContact O-N 3.09Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 PolarHBondContact O-N 3.13Å |
| 174 | S | 46.3 | Very low | 48.1 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -3.7 | 178.9 | -168.4 | 0 | 0 | 0 | 0 | 115.3 | K172 | K172-S174 VanDerWaalsContact C-N 3.34Å; K172-S174 PolarHBondContact O-N 3.24Å |
| 175 | M | 48.7 | Very low | 48.5 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 88% | 0.882 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -116 | 37.4 | -178.6 | -85.2 | -73.5 | -76 | 0 | 0 | 112.6 | ||
| 176 | G | 39.1 | Very low | 48.8 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | trans | -135.7 | 102.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A178 | G176-A178 PolarHBondContact O-N 3.41Š| ||
| 177 | G | 45.6 | Very low | 48.5 | Very low | 84 Ų | 84 | 126 Ų | 126 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | trans | -69 | 114.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A179 | G177-A179 PolarHBondContact O-N 3.27Š| ||
| 178 | A | 38.5 | Very low | 47.7 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | trans | -71.2 | 96.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G176 | G176-A178 PolarHBondContact O-N 3.41Š| ||
| 179 | A | 47.1 | Very low | 47 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -68.4 | 129.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G177 A181 | G177-A179 PolarHBondContact O-N 3.27Å; A179-A181 PolarHBondContact O-N 2.83Å | ||
| 180 | I | 45.6 | Very low | 46.3 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 109.6 | 172.8 | -61.6 | 173 | 0 | 0 | 0 | 107.5 | ||||
| 181 | A | 49.5 | Very low | 45.8 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A179 | A179-A181 PolarHBondContact O-N 2.83Š|
| 182 | P | 53.3 | Low | 45.3 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 149.6 | 174 | 27.7 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 183 | P | 52.7 | Low | 44.9 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.5 | -179.3 | 25.8 | -34.6 | 0 | 0 | 0 | 111.5 | S185 | P183-S185 PolarHBondContact O-N 2.87Š|
| 184 | S | 54.8 | Low | 44.7 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 36.9 | -172.8 | 61 | 0 | 0 | 0 | 0 | 115 | ||
| 185 | S | 53.8 | Low | 43.8 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 12.2 | 175.1 | -48.6 | 0 | 0 | 0 | 0 | 112 | P183 | P183-S185 PolarHBondContact O-N 2.87Š|
| 186 | L | 51 | Low | 42.8 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -137.3 | 36.4 | -174.3 | -154.5 | 88 | 0 | 0 | 0 | 112.5 | ||
| 187 | V | 40.9 | Very low | 42.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 56.2 | 179.1 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | R189 | V187-R189 PolarHBondContact O-N 3.49Š| ||
| 188 | D | 39.3 | Very low | 41.7 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -84.1 | 108.7 | 165.8 | -90.4 | -51.7 | 0 | 0 | 0 | 111 | ||||
| 189 | R | 38.4 | Very low | 41.4 | Very low | 238 Ų | 238 | 134.7 Ų | 134.7 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | 40.7 | 122.3 | 154.8 | -151.2 | 102.9 | 88.7 | -166.6 | 7.5 | 120.1 | V187 | V187-R189 PolarHBondContact O-N 3.49Š| ||
| 190 | E | 35.8 | Very low | 40.6 | Very low | 196 Ų | 196 | 138 Ų | 138 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -61.9 | 154.5 | 164.9 | -53.7 | 173.6 | 135.8 | 0 | 0 | 113.8 | ||||
| 191 | G | 33.7 | Very low | 40.1 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 167.2 | 117 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 192 | P | 41.5 | Very low | 39.3 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -85.6 | 160.8 | -170.9 | 33.9 | -36.1 | 0 | 0 | 0 | 114.9 | ||||
| 193 | A | 37.7 | Very low | 39 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 161.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 194 | P | 45.4 | Very low | 38 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | -148.8 | -167.2 | 80.9 | 32.6 | -9.6 | 0 | 0 | 0 | 115.6 | |||||
| 195 | Y | 27.7 | Very low | 37.1 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 87.4 | 131.2 | 154.6 | 72.3 | -108.3 | 0 | 0 | 0 | 123.4 | ||||
| 196 | A | 27 | Very low | 35.9 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | 86.8 | 104.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 197 | Y | 30 | Very low | 35.4 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | 84.3 | 120.6 | 122.4 | -136 | -88.1 | 0 | 0 | 0 | 122.1 | |||||
| 198 | E | 32.1 | Very low | 35.1 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | trans | -2.2 | 149.7 | 157.5 | -43.5 | -170.2 | 146.6 | 0 | 0 | 121.5 | ||||
| 199 | D | 32.2 | Very low | 34.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | 174.4 | 159.4 | 88.2 | -166.1 | 27.4 | 0 | 0 | 0 | 113.6 | |||||
| 200 | E | 31.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | trans | -40.1 | 157.6 | 179.4 | -78.4 | -76.4 | 159 | 0 | 0 | 120.3 | ||||
| 201 | G | 34 | Very low | 34.9 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 173.4 | 64.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 202 | R | 32.6 | Very low | 35.3 | Very low | 229 Ų | 229 | 137.6 Ų | 137.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -57.9 | -179.9 | 165.7 | -89.5 | 179.4 | 168 | -139.9 | 2 | 114.7 | ||||
| 203 | P | 46.7 | Very low | 35.3 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | cis | -127.2 | -162.4 | -23.8 | 33.8 | -12.5 | 0 | 0 | 0 | 111.4 | ||||
| 204 | G | 33.1 | Very low | 35.5 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 135.3 | 136.3 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 205 | R | 34.4 | Very low | 34.7 | Very low | 266 Ų | 266 | 140.6 Ų | 140.6 | 100% | 1.004 | 79% | 0.793 | S | S | * | * | trans | 82.4 | 157.5 | -176.8 | -54.3 | -179.6 | -176.6 | -109.9 | 3.2 | 115.5 | ||||
| 206 | G | 29.4 | Very low | 35.2 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | 173.8 | 156.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 207 | A | 40.5 | Very low | 35.4 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -81.8 | 153.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 208 | K | 35.2 | Very low | 35.5 | Very low | 209 Ų | 209 | 143 Ų | 143 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 152.3 | 150.9 | -65 | -164.8 | 179.3 | -178.4 | 0 | 107.8 | ||||
| 209 | A | 34.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | cis | -160.5 | 161.3 | -22.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 210 | A | 36.1 | Very low | 36.1 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -86 | 144.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 211 | I | 38.1 | Very low | 36.7 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -139.9 | 134.5 | 164.1 | -60.9 | -175.9 | 0 | 0 | 0 | 107.9 | ||||
| 212 | P | 41.5 | Very low | 37.1 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 164.8 | -171.2 | 33.6 | -37.8 | 0 | 0 | 0 | 114.6 | ||
| 213 | P | 41.3 | Very low | 37.3 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 135 | -179.1 | 33.8 | -33.6 | 0 | 0 | 0 | 113.9 | ||
| 214 | P | 41.9 | Very low | 37.2 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 116.2 | 156.6 | 33.3 | -25.1 | 0 | 0 | 0 | 110.1 | ||
| 215 | M | 30.3 | Very low | 38 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | 74.5 | 111.1 | 98.7 | -68.4 | -145.7 | 71.3 | 0 | 0 | 116.1 | |||||
| 216 | Y | 36.9 | Very low | 38.5 | Very low | 233 Ų | 233 | 141.8 Ų | 141.8 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | -140.3 | 158.5 | 129.4 | -147.2 | -100.4 | 0 | 0 | 0 | 109.9 | |||||
| 217 | E | 31.1 | Very low | 39.4 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -119 | 134.5 | -152.4 | -171.9 | 167 | -173.5 | 0 | 0 | 109.9 | ||||
| 218 | D | 33.3 | Very low | 39.8 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -141.1 | 99.1 | -177.4 | -163.6 | -2.9 | 0 | 0 | 0 | 110.9 | ||||
| 219 | S | 38.9 | Very low | 40.6 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -166.5 | 112.9 | 164 | -79.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 220 | E | 37.4 | Very low | 41.4 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | 170 | 129.5 | 126 | -89.2 | -75.4 | 93.1 | 0 | 0 | 110.2 | |||||
| 221 | R | 42.7 | Very low | 42 | Very low | 209 Ų | 209 | 136.6 Ų | 136.6 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | -90.1 | 149.5 | 173.8 | -148 | -170 | 179.9 | -143 | -0.4 | 107.7 | ||||
| 222 | P | 43.4 | Very low | 42.5 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | -157.2 | 177.8 | 94.1 | 38 | -18.1 | 0 | 0 | 0 | 117 | |||||
| 223 | R | 36.7 | Very low | 43 | Very low | 228 Ų | 228 | 138 Ų | 138 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | 90.6 | 133.3 | 164.3 | -58.7 | -178.3 | 176.6 | 136.3 | 1.6 | 118.2 | ||||
| 224 | S | 44.3 | Very low | 43.6 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 145.1 | -174.6 | -38.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 225 | P | 49 | Very low | 44 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 149.5 | 162.1 | -8.3 | 25.7 | 0 | 0 | 0 | 110.9 | ||
| 226 | P | 45.7 | Very low | 45.3 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 163.5 | 178.3 | 30.7 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 227 | G | 49.5 | Very low | 46.2 | Very low | 57 Ų | 57 | 126.7 Ų | 126.7 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 158.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T229 | G227-T229 PolarHBondContact O-N 3.26Å; G227-T229 VanDerWaalsContact O-N 3.09Å |
| 228 | P | 48.8 | Very low | 47.9 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -72.1 | 105.3 | -173.4 | 29.9 | -34.8 | 0 | 0 | 0 | 111.5 | F232 | P228-F232 HydrophobicContact CB-CD2 3.81Å; P228-F232 HydrophobicContact CB-CE2 3.58Å | ||
| 229 | T | 50.2 | Low | 50.2 | Low | 108 Ų | 108 | 117.7 Ų | 117.7 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | trans | -75.7 | 172.8 | 161 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | G227 S231 | G227-T229 PolarHBondContact O-N 3.26Å; G227-T229 VanDerWaalsContact O-N 3.09Å; T229-S231 PolarHBondContact O-N 3.22Å | ||
| 230 | S | 52.9 | Low | 52.1 | Low | 129 Ų | 129 | 118 Ų | 118 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 54.5 | -172 | 56.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 231 | S | 48.1 | Very low | 53.9 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 51% | 0.51 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.5 | -7 | -175.8 | -51.3 | 0 | 0 | 0 | 0 | 113.8 | T229 | T229-S231 PolarHBondContact O-N 3.22Š|
| 232 | F | 49.5 | Very low | 55.6 | Low | 160 Ų | 160 | 102.7 Ų | 102.7 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -31.5 | -177.8 | -90.6 | -91.8 | 0 | 0 | 0 | 114.3 | P228 | P228-F232 HydrophobicContact CB-CD2 3.81Å; P228-F232 HydrophobicContact CB-CE2 3.58Å |
| 233 | L | 50.7 | Low | 57.4 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -47.3 | 178.4 | -74.7 | 166.6 | 0 | 0 | 0 | 111.7 | N235 M236 | L233-N235 PolarHBondContact O-N 3.43Å; L233-N235 VanDerWaalsContact O-N 3.11Å; L233-M236 WeakPolarHBondContact O-CB 3.43Å; L233-M236 PolarHBondContact O-N 3.5Å |
| 234 | A | 54.4 | Low | 59.5 | Low | 94 Ų | 94 | 98.2 Ų | 98.2 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -26.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 235 | N | 51.1 | Low | 61.1 | Low | 144 Ų | 144 | 98.1 Ų | 98.1 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -0.6 | 179.6 | -128 | 32 | 0 | 0 | 0 | 113.8 | L233 | L233-N235 PolarHBondContact O-N 3.43Å; L233-N235 VanDerWaalsContact O-N 3.11Å |
| 236 | M | 56.1 | Low | 62.6 | Low | 96 Ų | 96 | 97.3 Ų | 97.3 | 47% | 0.473 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -82.3 | -15.8 | -174.9 | -138.5 | -176.9 | -172.8 | 0 | 0 | 114 | L233 G238 T239 H242 | L233-M236 WeakPolarHBondContact O-CB 3.43Å; L233-M236 PolarHBondContact O-N 3.5Å; M236-G238 PolarHBondContact O-N 3.45Å; M236-T239 HydrophobicContact CG-CG2 3.96Å; M236-T239 PolarHBondContact O-N 3.04Å; M236-T239 PolarHBondContact O-OG1 3.44Å; M236-H242 WeakPolarHBondContact O-CB 3.43Å |
| 237 | G | 57.1 | Low | 64.3 | Low | 55 Ų | 55 | 99.4 Ų | 99.4 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -60.8 | -8 | -178 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 238 | G | 66.5 | Low | 65.5 | Low | 75 Ų | 75 | 105.8 Ų | 105.8 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -102.8 | -6.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M236 | M236-G238 PolarHBondContact O-N 3.45Š|
| 239 | T | 81.6 | Confident | 66.6 | Low | 50 Ų | 50 | 103 Ų | 103 | 31% | 0.307 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -76.9 | 150.7 | -170 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | M236 A241 H242 K243 | M236-T239 HydrophobicContact CG-CG2 3.96Å; M236-T239 PolarHBondContact O-N 3.04Å; M236-T239 PolarHBondContact O-OG1 3.44Å; T239-A241 PolarHBondContact O-N 3.43Å; T239-H242 PolarHBondContact O-N 3.43Å; T239-H242 VanDerWaalsContact O-N 3.15Å; T239-H242 VanDerWaalsContact OG1-CB 3.3Å; T239-H242 WeakPolarHBondContact OG1-CB 3.39Å; T239-H242 PolarHBondContact OG1-N 3.02Å; T239-K243 PolarHBondContact O-N 3.26Å |
| 240 | V | 78.2 | Confident | 67.9 | Low | 114 Ų | 114 | 100.3 Ų | 100.3 | 69% | 0.691 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.9 | -38.5 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | K243 I244 | V240-K243 PolarHBondContact O-N 3.49Å; V240-I244 HydrophobicContact CG1-CD1 3.86Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 3.31Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.29Å; V240-I244 PolarHBondContact O-N 3.36Å |
| 241 | A | 75.1 | Confident | 69.1 | Low | 48 Ų | 48 | 100.8 Ų | 100.8 | 40% | 0.397 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.5 | -48.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T239 K243 I244 M245 | T239-A241 PolarHBondContact O-N 3.43Å; A241-K243 PolarHBondContact O-N 2.98Å; A241-I244 PolarHBondContact O-N 3Å; A241-M245 WeakPolarHBondContact O-CB 3.47Å; A241-M245 VanDerWaalsContact O-CG 3.28Å; A241-M245 WeakPolarHBondContact O-CG 3.23Å; A241-M245 PolarHBondContact O-N 3.19Å |
| 242 | H | 78.9 | Confident | 70.2 | Confident | 24 Ų | 24 | 104.2 Ų | 104.2 | 11% | 0.111 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -60.9 | -42.7 | 177.9 | -168.8 | 93.1 | 0 | 0 | 0 | 111.9 | M236 T239 I244 M245 Q246 | M236-H242 WeakPolarHBondContact O-CB 3.43Å; T239-H242 PolarHBondContact O-N 3.43Å; T239-H242 VanDerWaalsContact O-N 3.15Å; T239-H242 VanDerWaalsContact OG1-CB 3.3Å; T239-H242 WeakPolarHBondContact OG1-CB 3.39Å; T239-H242 PolarHBondContact OG1-N 3.02Å; H242-I244 PolarHBondContact O-N 3.36Å; H242-M245 PolarHBondContact O-N 3.39Å; H242-Q246 PolarHBondContact CD2-NE2 3.25Å; H242-Q246 VanDerWaalsContact CD2-NE2 3.34Å; H242-Q246 PolarHBondContact NE2-NE2 3.38Å; H242-Q246 WeakPolarHBondContact O-CG 3.4Å; H242-Q246 PolarHBondContact O-N 3.1Å |
| 243 | K | 81.3 | Confident | 71.4 | Confident | 151 Ų | 151 | 99.8 Ų | 99.8 | 66% | 0.657 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -34 | 176.3 | -173.2 | 168.6 | -71.6 | -175.1 | 0 | 113.2 | T239 V240 A241 K247 | T239-K243 PolarHBondContact O-N 3.26Å; V240-K243 PolarHBondContact O-N 3.49Å; A241-K243 PolarHBondContact O-N 2.98Å; K243-K247 WeakPolarHBondContact O-CB 3.41Å; K243-K247 PolarHBondContact O-N 3.29Å; K243-K247 VanDerWaalsContact O-N 3.15Å |
| 244 | I | 80.4 | Confident | 72.6 | Confident | 89 Ų | 89 | 95.6 Ų | 95.6 | 46% | 0.456 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -47.3 | 171.9 | -72.1 | 170.2 | 0 | 0 | 0 | 110.3 | V240 A241 H242 Q246 K247 Y248 | V240-I244 HydrophobicContact CG1-CD1 3.86Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 3.31Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.29Å; V240-I244 PolarHBondContact O-N 3.36Å; A241-I244 PolarHBondContact O-N 3Å; H242-I244 PolarHBondContact O-N 3.36Å; I244-Q246 PolarHBondContact O-N 3.16Å; I244-K247 WeakPolarHBondContact O-CB 3.39Å; I244-K247 PolarHBondContact O-N 3.05Å; I244-K247 VanDerWaalsContact O-N 3.14Å; I244-Y248 HydrophobicContact CG2-CD2 3.87Å; I244-Y248 HydrophobicContact CG2-CE2 3.99Å; I244-Y248 VanDerWaalsContact O-CD2 3.27Å; I244-Y248 WeakPolarHBondContact O-CD2 3.42Å; I244-Y248 PolarHBondContact O-N 3.24Å; I244-Y248 VanDerWaalsContact O-N 3.09Å |
| 245 | M | 79.3 | Confident | 73.7 | Confident | 102 Ų | 102 | 91.7 Ų | 91.7 | 50% | 0.502 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 178.8 | -72.5 | 168.3 | 170.9 | 0 | 0 | 111.3 | A241 H242 K247 Y248 G249 F250 | A241-M245 WeakPolarHBondContact O-CB 3.47Å; A241-M245 VanDerWaalsContact O-CG 3.28Å; A241-M245 WeakPolarHBondContact O-CG 3.23Å; A241-M245 PolarHBondContact O-N 3.19Å; H242-M245 PolarHBondContact O-N 3.39Å; M245-K247 VanDerWaalsContact C-N 3.33Å; M245-K247 PolarHBondContact O-N 3.3Å; M245-Y248 CarbonylContact O-C 3.55Å; M245-Y248 PolarHBondContact O-N 3.19Å; M245-G249 PolarHBondContact O-N 3.21Å; M245-F250 HydrophobicContact CB-CB 3.85Å; M245-F250 HydrophobicContact CB-CD1 4.02Å; M245-F250 HydrophobicContact CB-CG 4.11Å; M245-F250 VanDerWaalsContact O-CB 3.31Å; M245-F250 WeakPolarHBondContact O-CB 3.21Å; M245-F250 PolarHBondContact O-N 3.06Å |
| 246 | Q | 80.3 | Confident | 74.8 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.5 | -43.5 | 173.9 | -74.7 | 178.9 | -17.7 | 0 | 0 | 112.5 | H242 I244 Y248 G249 | H242-Q246 PolarHBondContact CD2-NE2 3.25Å; H242-Q246 VanDerWaalsContact CD2-NE2 3.34Å; H242-Q246 PolarHBondContact NE2-NE2 3.38Å; H242-Q246 WeakPolarHBondContact O-CG 3.4Å; H242-Q246 PolarHBondContact O-N 3.1Å; I244-Q246 PolarHBondContact O-N 3.16Å; Q246-Y248 PolarHBondContact O-N 3.29Å; Q246-G249 PolarHBondContact O-N 3.13Å |
| 247 | K | 81 | Confident | 75.5 | Confident | 170 Ų | 170 | 88.3 Ų | 88.3 | 74% | 0.739 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -30.4 | 176.7 | 179.6 | 178.6 | 177.9 | -176.9 | 0 | 112.8 | K243 I244 M245 G249 | K243-K247 WeakPolarHBondContact O-CB 3.41Å; K243-K247 PolarHBondContact O-N 3.29Å; K243-K247 VanDerWaalsContact O-N 3.15Å; I244-K247 WeakPolarHBondContact O-CB 3.39Å; I244-K247 PolarHBondContact O-N 3.05Å; I244-K247 VanDerWaalsContact O-N 3.14Å; M245-K247 VanDerWaalsContact C-N 3.33Å; M245-K247 PolarHBondContact O-N 3.3Å; K247-G249 VanDerWaalsContact C-N 3.35Å |
| 248 | Y | 75.4 | Confident | 76.3 | Confident | 190 Ų | 190 | 94.6 Ų | 94.6 | 75% | 0.745 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 14.9 | 175.5 | -72.6 | -74.2 | 0 | 0 | 0 | 113.6 | I244 M245 Q246 | I244-Y248 HydrophobicContact CG2-CD2 3.87Å; I244-Y248 HydrophobicContact CG2-CE2 3.99Å; I244-Y248 VanDerWaalsContact O-CD2 3.27Å; I244-Y248 WeakPolarHBondContact O-CD2 3.42Å; I244-Y248 PolarHBondContact O-N 3.24Å; I244-Y248 VanDerWaalsContact O-N 3.09Å; M245-Y248 CarbonylContact O-C 3.55Å; M245-Y248 PolarHBondContact O-N 3.19Å; Q246-Y248 PolarHBondContact O-N 3.29Å |
| 249 | G | 71.1 | Confident | 76.9 | Confident | 52 Ų | 52 | 97.3 Ų | 97.3 | 54% | 0.536 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 4.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116 | M245 Q246 K247 K251 | M245-G249 PolarHBondContact O-N 3.21Å; Q246-G249 PolarHBondContact O-N 3.13Å; K247-G249 VanDerWaalsContact C-N 3.35Å; G249-K251 PolarHBondContact O-N 2.92Å |
| 250 | F | 77.1 | Confident | 76.7 | Confident | 51 Ų | 51 | 100 Ų | 100 | 22% | 0.224 | 52% | 0.519 | C | S | . | . | trans | -67.5 | 130.2 | 172.8 | 175.9 | -98.4 | 0 | 0 | 0 | 111 | M245 | M245-F250 HydrophobicContact CB-CB 3.85Å; M245-F250 HydrophobicContact CB-CD1 4.02Å; M245-F250 HydrophobicContact CB-CG 4.11Å; M245-F250 VanDerWaalsContact O-CB 3.31Å; M245-F250 WeakPolarHBondContact O-CB 3.21Å; M245-F250 PolarHBondContact O-N 3.06Å | ||
| 251 | K | 78.4 | Confident | 76.7 | Confident | 139 Ų | 139 | 101.1 Ų | 101.1 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | trans | -117.4 | 144.8 | 165.2 | -55.6 | -176.4 | -162.1 | 163.3 | 0 | 109.1 | G249 G253 Q254 | G249-K251 PolarHBondContact O-N 2.92Å; K251-G253 PolarHBondContact O-N 3.02Å; K251-Q254 HydrophobicContact CB-CB 4.01Å; K251-Q254 VanDerWaalsContact CG-OE1 3.24Å; K251-Q254 WeakPolarHBondContact O-CB 3.3Å; K251-Q254 PolarHBondContact O-N 3.2Å | ||
| 252 | E | 71.3 | Confident | 76.8 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 125.6 | 177.7 | -169.7 | 164.5 | -167.3 | 0 | 0 | 110.4 | ||
| 253 | G | 73.7 | Confident | 76.6 | Confident | 67 Ų | 67 | 103.9 Ų | 103.9 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -13.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K251 | K251-G253 PolarHBondContact O-N 3.02Š|
| 254 | Q | 76.8 | Confident | 76.3 | Confident | 48 Ų | 48 | 99.6 Ų | 99.6 | 22% | 0.224 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -88 | 133 | 177.4 | -159.9 | -178.6 | -2 | 0 | 0 | 109.9 | K251 E260 | K251-Q254 HydrophobicContact CB-CB 4.01Å; K251-Q254 VanDerWaalsContact CG-OE1 3.24Å; K251-Q254 WeakPolarHBondContact O-CB 3.3Å; K251-Q254 PolarHBondContact O-N 3.2Å; Q254-E260 HydrophobicContact CG-CB 4.31Å; Q254-E260 VanDerWaalsContact CG-CD 3.41Å; Q254-E260 HydrophobicContact CG-CG 3.74Å; Q254-E260 WeakPolarHBondContact CG-OE2 3.32Å; Q254-E260 PolarHBondContact NE2-OE1 2.87Å |
| 255 | G | 76.8 | Confident | 76.1 | Confident | 13 Ų | 13 | 99.4 Ų | 99.4 | 13% | 0.134 | 53% | 0.525 | C | S | . | . | trans | -68.9 | 153.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G257 E260 G262 | G255-G257 PolarHBondContact O-N 3.32Å; G255-E260 VanDerWaalsContact CA-O 3.27Å; G255-E260 WeakPolarHBondContact CA-O 3.48Å; G255-E260 WeakPolarHBondContact O-CA 3.34Å; G255-G262 CarbonylContact C-O 3.58Å; G255-G262 WeakPolarHBondContact CA-O 3.44Å | ||
| 256 | L | 73.9 | Confident | 75.8 | Confident | 122 Ų | 122 | 99 Ų | 99 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -77.3 | 105.5 | -175.3 | -112.3 | 143.5 | 0 | 0 | 0 | 112 | G262 | L256-G262 PolarHBondContact N-O 2.84Å; L256-G262 WeakPolarHBondContact O-CA 3.33Å; L256-G262 PolarHBondContact O-N 3.09Å; L256-G262 VanDerWaalsContact O-N 3.17Å |
| 257 | G | 70.7 | Confident | 75.9 | Confident | 46 Ų | 46 | 98.4 Ų | 98.4 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 156.5 | 172.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G255 H259 E260 | G255-G257 PolarHBondContact O-N 3.32Å; G257-H259 PolarHBondContact O-N 2.97Å; G257-E260 PolarHBondContact O-N 2.72Å |
| 258 | K | 75.8 | Confident | 75.8 | Confident | 187 Ų | 187 | 93.1 Ų | 93.1 | 81% | 0.813 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30 | 179.2 | -175.4 | -174.5 | 172.9 | -164.9 | 0 | 112.9 | ||
| 259 | H | 77.9 | Confident | 76 | Confident | 133 Ų | 133 | 88.8 Ų | 88.8 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 27.3 | 178.1 | -53.5 | -81 | 0 | 0 | 0 | 110.8 | G257 Q261 | G257-H259 PolarHBondContact O-N 2.97Å; H259-Q261 VanDerWaalsContact C-OE1 3.23Å; H259-Q261 VanDerWaalsContact CA-OE1 3.32Å; H259-Q261 PolarHBondContact O-N 3.03Å |
| 260 | E | 78.4 | Confident | 76.7 | Confident | 106 Ų | 106 | 91.2 Ų | 91.2 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 61.8 | 13.4 | 175.9 | -44.6 | -178.5 | -172 | 0 | 0 | 114.8 | Q254 G255 G257 G262 | Q254-E260 HydrophobicContact CG-CB 4.31Å; Q254-E260 VanDerWaalsContact CG-CD 3.41Å; Q254-E260 HydrophobicContact CG-CG 3.74Å; Q254-E260 WeakPolarHBondContact CG-OE2 3.32Å; Q254-E260 PolarHBondContact NE2-OE1 2.87Å; G255-E260 VanDerWaalsContact CA-O 3.27Å; G255-E260 WeakPolarHBondContact CA-O 3.48Å; G255-E260 WeakPolarHBondContact O-CA 3.34Å; G257-E260 PolarHBondContact O-N 2.72Å; E260-G262 VanDerWaalsContact C-N 3.29Å; E260-G262 PolarHBondContact O-N 2.85Å |
| 261 | Q | 78.1 | Confident | 77.1 | Confident | 138 Ų | 138 | 96.9 Ų | 96.9 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | trans | -78.4 | -3.6 | -167.7 | 72.6 | -93.6 | 42.7 | 0 | 0 | 115.6 | H259 | H259-Q261 VanDerWaalsContact C-OE1 3.23Å; H259-Q261 VanDerWaalsContact CA-OE1 3.32Å; H259-Q261 PolarHBondContact O-N 3.03Å | ||
| 262 | G | 76.6 | Confident | 77 | Confident | 29 Ų | 29 | 94.4 Ų | 94.4 | 30% | 0.299 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -98 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G255 L256 E260 S264 | G255-G262 CarbonylContact C-O 3.58Å; G255-G262 WeakPolarHBondContact CA-O 3.44Å; L256-G262 PolarHBondContact N-O 2.84Å; L256-G262 WeakPolarHBondContact O-CA 3.33Å; L256-G262 PolarHBondContact O-N 3.09Å; L256-G262 VanDerWaalsContact O-N 3.17Å; E260-G262 VanDerWaalsContact C-N 3.29Å; E260-G262 PolarHBondContact O-N 2.85Å; G262-S264 PolarHBondContact O-N 2.86Å |
| 263 | L | 74.6 | Confident | 77.3 | Confident | 100 Ų | 100 | 91 Ų | 91 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | trans | -51.5 | 124.8 | -178 | -62.8 | 171 | 0 | 0 | 0 | 112.2 | L267 | L263-L267 HydrophobicContact CD1-CD2 4.03Å; L263-L267 HydrophobicContact CD1-CG 4.23Å | ||
| 264 | S | 75.1 | Confident | 77.4 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -83.2 | -24.8 | 175 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | G262 | G262-S264 PolarHBondContact O-N 2.86Š|
| 265 | T | 76.3 | Confident | 77.7 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -113.6 | 145.5 | 179 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 266 | A | 73.6 | Confident | 77.8 | Confident | 94 Ų | 94 | 108.5 Ų | 108.5 | 78% | 0.777 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 141.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S268 | A266-S268 PolarHBondContact O-N 3.44Š|
| 267 | L | 80.9 | Confident | 78.4 | Confident | 89 Ų | 89 | 104.8 Ų | 104.8 | 47% | 0.466 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 129.5 | 172.6 | -62.3 | 179.5 | 0 | 0 | 0 | 110.4 | L263 I279 I281 | L263-L267 HydrophobicContact CD1-CD2 4.03Å; L263-L267 HydrophobicContact CD1-CG 4.23Å; L267-I279 HydrophobicContact CB-CG2 4.06Å; L267-I279 HydrophobicContact CD1-CG2 4.27Å; L267-I281 HydrophobicContact CD2-CB 4.36Å; L267-I281 HydrophobicContact CD2-CG1 3.81Å; L267-I281 HydrophobicContact CD2-CG2 4.42Å |
| 268 | S | 78.7 | Confident | 79 | Confident | 59 Ų | 59 | 108.4 Ų | 108.4 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 155.2 | 175.6 | 70 | 0 | 0 | 0 | 0 | 110.7 | A266 I279 I280 | A266-S268 PolarHBondContact O-N 3.44Å; S268-I279 CarbonylContact O-C 3.52Å; S268-I279 WeakPolarHBondContact O-CA 3.39Å; S268-I280 PolarHBondContact N-O 3.03Å; S268-I280 VanDerWaalsContact N-O 3.1Å; S268-I280 PolarHBondContact O-N 3.32Å; S268-I280 WeakPolarHBondContact OG-CB 3.29Å; S268-I280 PolarHBondContact OG-O 2.82Å |
| 269 | V | 81.1 | Confident | 79.4 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 59% | 0.594 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 112.9 | 178 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | K278 I279 | V269-K278 CarbonylContact C-O 3.57Å; V269-K278 WeakPolarHBondContact CA-O 3.41Å; V269-I279 HydrophobicContact CG2-CG1 4.25Å |
| 270 | E | 84.8 | Confident | 79.5 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.9 | 171 | -178.9 | -180 | -150.7 | 0 | 0 | 109.6 | T272 G277 K278 I280 | E270-T272 PolarHBondContact O-N 3.37Å; E270-T272 VanDerWaalsContact O-N 3.14Å; E270-G277 CarbonylContact O-C 3.43Å; E270-G277 WeakPolarHBondContact O-CA 3.49Å; E270-K278 PolarHBondContact N-O 2.93Å; E270-K278 PolarHBondContact O-N 2.96Å; E270-I280 HydrophobicContact CB-CD1 3.69Å; E270-I280 HydrophobicContact CB-CG1 4.31Å |
| 271 | K | 86.1 | Confident | 79.1 | Confident | 170 Ų | 170 | 101 Ų | 101 | 74% | 0.739 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 92.1 | -175.7 | -167.8 | 176.2 | -175.9 | 176.9 | 0 | 111.2 | ||
| 272 | T | 76.4 | Confident | 78.4 | Confident | 88 Ų | 88 | 96.3 Ų | 96.3 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -17.7 | -176.9 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | E270 G276 K278 | E270-T272 PolarHBondContact O-N 3.37Å; E270-T272 VanDerWaalsContact O-N 3.14Å; T272-G276 PolarHBondContact N-O 3.49Å; T272-K278 HydrophobicContact CG2-CB 3.65Å |
| 273 | S | 77.5 | Confident | 77.3 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.3 | 172.9 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | R275 G276 | S273-R275 PolarHBondContact O-N 3.37Å; S273-G276 PolarHBondContact N-O 3.35Å; S273-G276 PolarHBondContact O-N 2.94Å; S273-G276 VanDerWaalsContact O-O 3.05Å |
| 274 | K | 75.6 | Confident | 75.9 | Confident | 210 Ų | 210 | 102 Ų | 102 | 91% | 0.913 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -27.8 | 176.4 | -69 | -177.5 | -179.8 | 176.6 | 0 | 113.3 | ||
| 275 | R | 81.8 | Confident | 74.4 | Confident | 252 Ų | 252 | 103.3 Ų | 103.3 | 95% | 0.951 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 22.7 | 178.7 | -155 | -175.6 | -79.2 | -162.2 | -2.6 | 112.8 | S273 | S273-R275 PolarHBondContact O-N 3.37Š|
| 276 | G | 79.2 | Confident | 72.6 | Confident | 33 Ų | 33 | 108 Ų | 108 | 34% | 0.34 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -148 | 151.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | T272 S273 | T272-G276 PolarHBondContact N-O 3.49Å; S273-G276 PolarHBondContact N-O 3.35Å; S273-G276 PolarHBondContact O-N 2.94Å; S273-G276 VanDerWaalsContact O-O 3.05Å |
| 277 | G | 88 | Confident | 70.8 | Confident | 43 Ų | 43 | 112.9 Ų | 112.9 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.9 | 149 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E270 | E270-G277 CarbonylContact O-C 3.43Å; E270-G277 WeakPolarHBondContact O-CA 3.49Å |
| 278 | K | 82.8 | Confident | 68.8 | Low | 123 Ų | 123 | 115 Ų | 115 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.8 | 176.2 | 178.6 | -173.8 | 176.3 | -166.7 | 0 | 108.1 | V269 E270 T272 | V269-K278 CarbonylContact C-O 3.57Å; V269-K278 WeakPolarHBondContact CA-O 3.41Å; E270-K278 PolarHBondContact N-O 2.93Å; E270-K278 PolarHBondContact O-N 2.96Å; T272-K278 HydrophobicContact CG2-CB 3.65Å |
| 279 | I | 84.2 | Confident | 66.6 | Low | 110 Ų | 110 | 115.4 Ų | 115.4 | 56% | 0.564 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.4 | 175.3 | -52.5 | 179.2 | 0 | 0 | 0 | 107.9 | L267 S268 V269 | L267-I279 HydrophobicContact CB-CG2 4.06Å; L267-I279 HydrophobicContact CD1-CG2 4.27Å; S268-I279 CarbonylContact O-C 3.52Å; S268-I279 WeakPolarHBondContact O-CA 3.39Å; V269-I279 HydrophobicContact CG2-CG1 4.25Å |
| 280 | I | 79.4 | Confident | 64.3 | Low | 44 Ų | 44 | 117.1 Ų | 117.1 | 23% | 0.226 | 66% | 0.657 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 117 | 175.1 | -58.6 | 177.3 | 0 | 0 | 0 | 107.7 | S268 E270 | S268-I280 PolarHBondContact N-O 3.03Å; S268-I280 VanDerWaalsContact N-O 3.1Å; S268-I280 PolarHBondContact O-N 3.32Å; S268-I280 WeakPolarHBondContact OG-CB 3.29Å; S268-I280 PolarHBondContact OG-O 2.82Å; E270-I280 HydrophobicContact CB-CD1 3.69Å; E270-I280 HydrophobicContact CB-CG1 4.31Å |
| 281 | I | 70.5 | Confident | 62 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 60% | 0.595 | 67% | 0.67 | S | S | * | * | trans | -76.4 | 132 | 170.5 | -57.9 | 164.5 | 0 | 0 | 0 | 107 | L267 D283 | L267-I281 HydrophobicContact CD2-CB 4.36Å; L267-I281 HydrophobicContact CD2-CG1 3.81Å; L267-I281 HydrophobicContact CD2-CG2 4.42Å; I281-D283 PolarHBondContact O-N 3.16Å | ||
| 282 | G | 63.7 | Low | 59.9 | Low | 40 Ų | 40 | 118 Ų | 118 | 41% | 0.412 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | 85 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 283 | D | 52.8 | Low | 58 | Low | 163 Ų | 163 | 119.4 Ų | 119.4 | 87% | 0.872 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167 | -19.7 | 155.3 | -102.3 | -20 | 0 | 0 | 0 | 111.5 | I281 A285 | I281-D283 PolarHBondContact O-N 3.16Å; D283-A285 PolarHBondContact O-N 2.83Å; D283-A285 VanDerWaalsContact O-N 3.09Å |
| 284 | A | 46 | Very low | 55.8 | Low | 85 Ų | 85 | 119.9 Ų | 119.9 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | trans | -83.7 | 36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 285 | A | 42.2 | Very low | 53.9 | Low | 90 Ų | 90 | 115 Ų | 115 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | -101.1 | 47.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D283 | D283-A285 PolarHBondContact O-N 2.83Å; D283-A285 VanDerWaalsContact O-N 3.09Å | ||
| 286 | E | 39.2 | Very low | 51.5 | Low | 184 Ų | 184 | 107.6 Ų | 107.6 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 143 | 169.8 | -77.4 | -87.1 | 119.1 | 0 | 0 | 110.7 | ||
| 287 | K | 36.8 | Very low | 49.4 | Very low | 196 Ų | 196 | 113.4 Ų | 113.4 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68 | 150.2 | -173.6 | -76.6 | 173.6 | 175.9 | 170.6 | 0 | 112.9 | ||
| 288 | P | 38.2 | Very low | 48 | Very low | 134 Ų | 134 | 115.8 Ų | 115.8 | 87% | 0.87 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 131 | 172.6 | 31.9 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 289 | G | 32.8 | Very low | 45.6 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 68% | 0.68 | 74% | 0.737 | S | S | * | * | trans | -170.6 | 124.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 290 | S | 32.6 | Very low | 43.2 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 94% | 0.944 | 75% | 0.752 | S | S | * | * | trans | 71.3 | 124.3 | 173.4 | 71.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 291 | S | 36.9 | Very low | 40.9 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -103.1 | 146.6 | 176.8 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 292 | Q | 41.2 | Very low | 39.1 | Very low | 184 Ų | 184 | 117.4 Ų | 117.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 178.1 | 115.6 | 142.9 | -97.4 | 162 | 13.2 | 0 | 0 | 106.3 | ||||
| 293 | S | 36.6 | Very low | 37.6 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 60.2 | 108.3 | 70.4 | 78.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 294 | G | 32.1 | Very low | 36.8 | Very low | 85 Ų | 85 | 118 Ų | 118 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | 163.3 | 136.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 295 | A | 34.4 | Very low | 36.3 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -120.8 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 296 | A | 32.5 | Very low | 35.8 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 93.6 | 98.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 297 | D | 34.4 | Very low | 36.2 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | 62.9 | 175.6 | 120.1 | -129.9 | 22.2 | 0 | 0 | 0 | 119.5 | |||||
| 298 | P | 58.1 | Low | 36.6 | Very low | 94 Ų | 94 | 112.6 Ų | 112.6 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | -127 | -177.1 | -108.4 | 40.7 | -23 | 0 | 0 | 0 | 115.1 | |||||
| 299 | S | 32.7 | Very low | 36.8 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 92.1 | 149.5 | 153.2 | 81.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 300 | I | 33.5 | Very low | 37.3 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | 81.5 | 127.2 | 164 | -53.4 | 175.3 | 0 | 0 | 0 | 118.5 | ||||
| 301 | G | 31 | Very low | 37.9 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 110.9 | 97.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 302 | G | 33.4 | Very low | 38.5 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -92.8 | 151.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 303 | S | 32.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -170.4 | 114.1 | 152.8 | -80.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 304 | A | 35.8 | Very low | 40.2 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | 82.7 | 106.8 | 87.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 305 | A | 35.9 | Very low | 41.9 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | 53.5 | 106.3 | 155 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 306 | D | 31.7 | Very low | 43.3 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | trans | -138.1 | 106.3 | 136.3 | -177.5 | 5.9 | 0 | 0 | 0 | 109.6 | S308 | D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.95Å; D306-S308 WeakPolarHBondContact OD1-CB 3.27Å; D306-S308 PolarHBondContact OD1-N 2.84Å; D306-S308 PolarHBondContact OD1-OG 2.96Å | ||
| 307 | P | 46.9 | Very low | 44.9 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -94 | 35.2 | -178.2 | 38.1 | -34.5 | 0 | 0 | 0 | 113.2 | ||||
| 308 | S | 45.1 | Very low | 46.6 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | trans | -111.5 | 30.5 | -164.9 | -45.1 | 0 | 0 | 0 | 0 | 115.8 | D306 | D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.95Å; D306-S308 WeakPolarHBondContact OD1-CB 3.27Å; D306-S308 PolarHBondContact OD1-N 2.84Å; D306-S308 PolarHBondContact OD1-OG 2.96Å | ||
| 309 | K | 43.9 | Very low | 47.4 | Very low | 204 Ų | 204 | 110.3 Ų | 110.3 | 89% | 0.887 | 68% | 0.675 | S | S | * | * | trans | -160.6 | 67.6 | 170.7 | -107.9 | 152.7 | -167.9 | 176.7 | 0 | 112.4 | S311 | K309-S311 VanDerWaalsContact C-N 3.28Å; K309-S311 PolarHBondContact O-N 2.91Å | ||
| 310 | K | 43.3 | Very low | 49.5 | Very low | 196 Ų | 196 | 108.5 Ų | 108.5 | 85% | 0.852 | 66% | 0.656 | S | S | * | * | trans | -70.2 | 92.1 | 158.2 | -72.5 | -169.9 | 178.5 | -171.9 | 0 | 108.2 | E312 | K310-E312 PolarHBondContact O-N 2.95Š| ||
| 311 | S | 44.1 | Very low | 51.4 | Low | 102 Ų | 102 | 106.2 Ų | 106.2 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | -51.9 | 127.9 | 149.8 | 52.9 | 0 | 0 | 0 | 0 | 106.9 | K309 A313 | K309-S311 VanDerWaalsContact C-N 3.28Å; K309-S311 PolarHBondContact O-N 2.91Å; S311-A313 PolarHBondContact O-N 3.33Å | ||
| 312 | E | 50.3 | Low | 53.9 | Low | 189 Ų | 189 | 108.8 Ų | 108.8 | 88% | 0.883 | 64% | 0.636 | S | S | * | * | trans | -68.3 | 84.3 | 173.4 | -64.1 | -157.9 | 159.6 | 0 | 0 | 109.1 | K310 N314 | K310-E312 PolarHBondContact O-N 2.95Å; E312-N314 PolarHBondContact O-N 3.02Å | ||
| 313 | A | 54.3 | Low | 56.7 | Low | 43 Ų | 43 | 108 Ų | 108 | 36% | 0.355 | 62% | 0.617 | S | S | . | * | trans | -54.6 | 122.5 | 157 | 0 | 0 | 0 | 0 | 0 | 105.8 | S311 P315 | S311-A313 PolarHBondContact O-N 3.33Å; A313-P315 VanDerWaalsContact O-N 3.16Å | ||
| 314 | N | 59 | Low | 59.6 | Low | 113 Ų | 113 | 103.8 Ų | 103.8 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | trans | -45.5 | 128.6 | 179.2 | -62.9 | -76.7 | 0 | 0 | 0 | 108.1 | E312 L316 T317 E318 | E312-N314 PolarHBondContact O-N 3.02Å; N314-L316 PolarHBondContact O-N 3.47Å; N314-T317 HydrophobicContact CB-CG2 4.11Å; N314-T317 PolarHBondContact N-OG1 3.06Å; N314-T317 WeakPolarHBondContact O-CA 3.35Å; N314-T317 WeakPolarHBondContact O-CB 3.24Å; N314-T317 PolarHBondContact O-N 3.3Å; N314-T317 PolarHBondContact O-OG1 3.13Å; N314-E318 PolarHBondContact O-N 3.41Å | ||
| 315 | P | 66.8 | Low | 62.5 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 66% | 0.656 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -55.5 | -32.6 | -169.7 | 17.1 | -30.7 | 0 | 0 | 0 | 112.4 | A313 T317 E318 I319 | A313-P315 VanDerWaalsContact O-N 3.16Å; P315-T317 PolarHBondContact O-N 3.38Å; P315-E318 PolarHBondContact O-N 2.86Å; P315-I319 WeakPolarHBondContact O-CD1 3.32Å; P315-I319 WeakPolarHBondContact O-CG1 3.48Å; P315-I319 PolarHBondContact O-N 3Å; P315-I319 VanDerWaalsContact O-N 3.14Å |
| 316 | L | 65.1 | Low | 65.3 | Low | 72 Ų | 72 | 98.3 Ų | 98.3 | 38% | 0.377 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 171.5 | -162.1 | 73.1 | 0 | 0 | 0 | 113.8 | N314 I319 L320 | N314-L316 PolarHBondContact O-N 3.47Å; L316-I319 PolarHBondContact O-N 2.83Å; L316-L320 HydrophobicContact CD2-CD1 4.46Å; L316-L320 HydrophobicContact CG-CD1 4.01Å; L316-L320 WeakPolarHBondContact O-CB 3.27Å; L316-L320 WeakPolarHBondContact O-CD1 3.43Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.18Å |
| 317 | T | 65.8 | Low | 68.4 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.9 | -24.3 | 178 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | N314 P315 | N314-T317 HydrophobicContact CB-CG2 4.11Å; N314-T317 PolarHBondContact N-OG1 3.06Å; N314-T317 WeakPolarHBondContact O-CA 3.35Å; N314-T317 WeakPolarHBondContact O-CB 3.24Å; N314-T317 PolarHBondContact O-N 3.3Å; N314-T317 PolarHBondContact O-OG1 3.13Å; P315-T317 PolarHBondContact O-N 3.38Å |
| 318 | E | 70.4 | Confident | 70.7 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.2 | -44.1 | 170.9 | -178.4 | 134.5 | -111 | 0 | 0 | 111.1 | N314 P315 L320 K321 | N314-E318 PolarHBondContact O-N 3.41Å; P315-E318 PolarHBondContact O-N 2.86Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.26Å; E318-K321 HydrophobicContact CG-CD 4.35Å; E318-K321 WeakPolarHBondContact O-CB 3.25Å; E318-K321 WeakPolarHBondContact O-CD 3.4Å; E318-K321 VanDerWaalsContact O-CG 3.26Å; E318-K321 WeakPolarHBondContact O-CG 3.46Å; E318-K321 PolarHBondContact O-N 3.5Å; E318-K321 IonicContact OE1-NZ 3.95Å; E318-K321 PolarHBondContact OE1-NZ 3.36Å |
| 319 | I | 73.3 | Confident | 73.1 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 21% | 0.205 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 175.4 | -64.4 | 163.3 | 0 | 0 | 0 | 111.2 | P315 L316 K321 V389 N393 F406 | P315-I319 WeakPolarHBondContact O-CD1 3.32Å; P315-I319 WeakPolarHBondContact O-CG1 3.48Å; P315-I319 PolarHBondContact O-N 3Å; P315-I319 VanDerWaalsContact O-N 3.14Å; L316-I319 PolarHBondContact O-N 2.83Å; I319-K321 PolarHBondContact O-N 3.45Å; I319-V389 HydrophobicContact CG2-CG1 3.5Å; I319-V389 VanDerWaalsContact CG2-CG1 3.5Å; I319-N393 VanDerWaalsContact CD1-ND2 3.32Å; I319-N393 WeakPolarHBondContact CD1-ND2 3.46Å; I319-F406 HydrophobicContact CG2-CD2 4.35Å; I319-F406 HydrophobicContact CG2-CE2 4.3Å; I319-F406 WeakPolarHBondContact O-CD2 3.43Å; I319-F406 WeakPolarHBondContact O-CE2 3.49Å |
| 320 | L | 78.1 | Confident | 75.5 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 35% | 0.346 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 3.1 | 179.6 | -74.8 | 163.6 | 0 | 0 | 0 | 115.4 | L316 E318 N322 I386 F406 | L316-L320 HydrophobicContact CD2-CD1 4.46Å; L316-L320 HydrophobicContact CG-CD1 4.01Å; L316-L320 WeakPolarHBondContact O-CB 3.27Å; L316-L320 WeakPolarHBondContact O-CD1 3.43Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.18Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.26Å; L320-N322 PolarHBondContact O-N 2.78Å; L320-I386 HydrophobicContact CD2-CG2 4.08Å; L320-F406 HydrophobicContact CD2-CE2 4.29Å; L320-F406 HydrophobicContact CD2-CZ 4.45Å |
| 321 | K | 73.1 | Confident | 77.9 | Confident | 124 Ų | 124 | 64.9 Ų | 64.9 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -37.9 | -176.3 | -76.8 | 172.6 | 177.6 | 175.3 | 0 | 114.1 | E318 I319 | E318-K321 HydrophobicContact CG-CD 4.35Å; E318-K321 WeakPolarHBondContact O-CB 3.25Å; E318-K321 WeakPolarHBondContact O-CD 3.4Å; E318-K321 VanDerWaalsContact O-CG 3.26Å; E318-K321 WeakPolarHBondContact O-CG 3.46Å; E318-K321 PolarHBondContact O-N 3.5Å; E318-K321 IonicContact OE1-NZ 3.95Å; E318-K321 PolarHBondContact OE1-NZ 3.36Å; I319-K321 PolarHBondContact O-N 3.45Å |
| 322 | N | 83.2 | Confident | 80.2 | Confident | 131 Ų | 131 | 60.7 Ų | 60.7 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -138.2 | 79.4 | -176.9 | -71.8 | -48 | 0 | 0 | 0 | 110.7 | L320 T324 | L320-N322 PolarHBondContact O-N 2.78Å; N322-T324 PolarHBondContact O-N 3.46Å |
| 323 | P | 91.5 | Very high | 82.3 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | trans | -70.7 | 120.1 | -179.5 | 29.2 | -34.1 | 0 | 0 | 0 | 111 | V382 I386 F406 | P323-V382 HydrophobicContact CB-CG1 3.93Å; P323-I386 HydrophobicContact CB-CD1 3.81Å; P323-I386 HydrophobicContact CB-CG1 3.74Å; P323-I386 HydrophobicContact CG-CD1 4.36Å; P323-F406 HydrophobicContact CB-CD1 4.46Å; P323-F406 HydrophobicContact CB-CE1 4.03Å; P323-F406 HydrophobicContact CB-CE2 4.12Å; P323-F406 HydrophobicContact CB-CZ 3.85Å | ||
| 324 | T | 95 | Very high | 84 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | trans | -111 | 178.1 | 175.4 | 73.7 | 0 | 0 | 0 | 0 | 110.8 | N322 V326 A385 F406 Y407 | N322-T324 PolarHBondContact O-N 3.46Å; T324-V326 VanDerWaalsContact C-N 3.29Å; T324-V326 PolarHBondContact OG1-N 3.25Å; T324-V326 PolarHBondContact OG1-O 2.6Å; T324-A385 VanDerWaalsContact O-CB 3.23Å; T324-A385 WeakPolarHBondContact O-CB 3.5Å; T324-F406 HydrophobicContact CG2-CB 4.4Å; T324-Y407 VanDerWaalsContact CB-O 3.29Å; T324-Y407 WeakPolarHBondContact CB-O 3.46Å; T324-Y407 VanDerWaalsContact CG2-O 3.31Å; T324-Y407 WeakPolarHBondContact CG2-O 3.19Å; T324-Y407 PolarHBondContact OG1-O 3.07Å | ||
| 325 | K | 95.3 | Very high | 85.5 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -77.6 | -13.4 | 171.6 | -63.3 | -169.5 | -179.6 | -161.4 | 0 | 113.7 | F379 E380 V382 L409 | K325-F379 PolarHBondContact O-N 3.32Å; K325-E380 WeakPolarHBondContact CE-O 3.1Å; K325-E380 PolarHBondContact NZ-O 3.19Å; K325-V382 HydrophobicContact CG-CG2 3.51Å; K325-L409 HydrophobicContact CB-CD1 3.92Å; K325-L409 HydrophobicContact CD-CD1 4.24Å; K325-L409 HydrophobicContact CG-CD1 4.3Å |
| 326 | V | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.3 | -174 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | T324 F376 L377 E378 F406 Y407 L409 F412 | T324-V326 VanDerWaalsContact C-N 3.29Å; T324-V326 PolarHBondContact OG1-N 3.25Å; T324-V326 PolarHBondContact OG1-O 2.6Å; V326-F376 HydrophobicContact CG1-CD1 4.44Å; V326-L377 CarbonylContact C-O 3.57Å; V326-L377 WeakPolarHBondContact CA-O 3.47Å; V326-E378 HydrophobicContact CG2-CB 4.34Å; V326-E378 HydrophobicContact CG2-CG 4.31Å; V326-F406 WeakPolarHBondContact O-CA 3.28Å; V326-Y407 PolarHBondContact O-N 3.36Å; V326-L409 HydrophobicContact CG2-CB 4.25Å; V326-L409 HydrophobicContact CG2-CD1 4.29Å; V326-L409 HydrophobicContact CG2-CG 4.45Å; V326-F412 HydrophobicContact CG1-CB 4.23Å; V326-F412 HydrophobicContact CG1-CD1 4.23Å; V326-F412 HydrophobicContact CG1-CD2 3.98Å; V326-F412 HydrophobicContact CG1-CE2 4.42Å; V326-F412 HydrophobicContact CG1-CG 3.88Å; V326-F412 HydrophobicContact CG2-CB 4.13Å; V326-F412 HydrophobicContact CG2-CD1 3.83Å; V326-F412 HydrophobicContact CG2-CG 4.05Å |
| 327 | V | 96.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.6 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | L329 F376 L377 F379 A385 A388 V389 C405 | V327-L329 HydrophobicContact CG1-CD2 3.69Å; V327-L329 HydrophobicContact CG1-CG 4.27Å; V327-F376 CarbonylContact O-C 3.53Å; V327-F376 WeakPolarHBondContact O-CA 3.13Å; V327-L377 HydrophobicContact CB-CB 4.4Å; V327-L377 PolarHBondContact N-O 2.88Å; V327-L377 PolarHBondContact O-N 3.21Å; V327-F379 HydrophobicContact CB-CE2 4.29Å; V327-F379 HydrophobicContact CG2-CD2 4.02Å; V327-F379 HydrophobicContact CG2-CE2 3.72Å; V327-A385 HydrophobicContact CG2-CB 3.62Å; V327-A388 HydrophobicContact CG2-CB 4.47Å; V327-V389 HydrophobicContact CB-CG2 4.29Å; V327-V389 HydrophobicContact CG1-CG2 3.68Å; V327-V389 HydrophobicContact CG2-CG2 3.75Å; V327-C405 WeakPolarHBondContact CA-O 3.21Å |
| 328 | L | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.4 | 170 | 165.2 | 59.6 | 0 | 0 | 0 | 108.9 | R330 R374 I375 F376 A404 C405 Y407 V421 | L328-R330 HydrophobicContact CD1-CG 3.92Å; L328-R330 HydrophobicContact CD2-CG 4.26Å; L328-R330 HydrophobicContact CG-CG 3.92Å; L328-R374 HydrophobicContact CD1-CB 3.66Å; L328-R374 HydrophobicContact CD1-CG 4.08Å; L328-I375 WeakPolarHBondContact CA-O 3.24Å; L328-F376 HydrophobicContact CB-CD1 4.24Å; L328-F376 HydrophobicContact CB-CE1 4.24Å; L328-F376 HydrophobicContact CD1-CD1 4.17Å; L328-F376 HydrophobicContact CD1-CE1 3.84Å; L328-F376 HydrophobicContact CD1-CE2 4.22Å; L328-F376 HydrophobicContact CD1-CZ 3.87Å; L328-F376 HydrophobicContact CD2-CE1 4.22Å; L328-F376 HydrophobicContact CG-CE1 4.32Å; L328-A404 WeakPolarHBondContact O-CA 3.19Å; L328-C405 PolarHBondContact N-O 3.43Å; L328-C405 PolarHBondContact O-N 3.05Å; L328-Y407 HydrophobicContact CB-CD2 4.35Å; L328-Y407 HydrophobicContact CD2-CD2 3.89Å; L328-Y407 HydrophobicContact CD2-CE2 4.36Å; L328-V421 HydrophobicContact CD2-CB 4.29Å; L328-V421 HydrophobicContact CD2-CG2 3.74Å |
| 329 | L | 95.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.9 | 171.6 | -50.3 | 179 | 0 | 0 | 0 | 109.2 | V327 M332 T346 I375 L377 L392 V402 A404 | V327-L329 HydrophobicContact CG1-CD2 3.69Å; V327-L329 HydrophobicContact CG1-CG 4.27Å; L329-M332 HydrophobicContact CB-CG 4.37Å; L329-M332 HydrophobicContact CB-SD 3.69Å; L329-M332 HydrophobicContact CD1-SD 3.46Å; L329-M332 WeakPolarHBondContact CD1-SD 3.41Å; L329-M332 HydrophobicContact CG-SD 4.19Å; L329-T346 HydrophobicContact CD1-CG2 4.11Å; L329-I375 HydrophobicContact CB-CB 4.36Å; L329-I375 PolarHBondContact N-O 2.86Å; L329-I375 PolarHBondContact O-N 3.23Å; L329-L377 HydrophobicContact CD1-CD1 3.62Å; L329-L377 HydrophobicContact CG-CD1 4.18Å; L329-L392 HydrophobicContact CD1-CD1 3.97Å; L329-L392 HydrophobicContact CD2-CB 4.21Å; L329-L392 HydrophobicContact CD2-CD1 3.93Å; L329-V402 HydrophobicContact CB-CG1 4.27Å; L329-V402 HydrophobicContact CD2-CG1 4.23Å; L329-A404 HydrophobicContact CD2-CB 3.41Å; L329-A404 VanDerWaalsContact CD2-CB 3.41Å |
| 330 | R | 94.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.06 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.9 | 178.8 | -57.5 | 165 | 76.5 | -179.6 | 4.1 | 109.1 | L328 M332 E371 K403 V421 | L328-R330 HydrophobicContact CD1-CG 3.92Å; L328-R330 HydrophobicContact CD2-CG 4.26Å; L328-R330 HydrophobicContact CG-CG 3.92Å; R330-M332 PolarHBondContact O-N 3.18Å; R330-E371 IonicContact CZ-OE1 2.62Å; R330-E371 IonicContact NH2-OE1 2.64Å; R330-E371 PolarHBondContact NH2-OE1 2.8Å; R330-E371 IonicContact NH2-OE2 3.88Å; R330-E371 PolarHBondContact NH2-OE2 3.32Å; R330-K403 HydrophobicContact CB-CB 4.29Å; R330-K403 PolarHBondContact N-O 2.74Å; R330-K403 PolarHBondContact O-N 3.26Å; R330-V421 PolarHBondContact NH1-O 3.4Å |
| 331 | N | 94.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 56.7 | 32.6 | -176.6 | -164.5 | 41 | 0 | 0 | 0 | 114.1 | D370 R400 V401 | N331-D370 WeakPolarHBondContact CA-O 3.23Å; N331-D370 HydrophobicContact CB-CB 4.13Å; N331-D370 WeakPolarHBondContact CB-O 3.47Å; N331-D370 PolarHBondContact N-O 3.05Å; N331-D370 WeakPolarHBondContact OD1-CA 3.49Å; N331-D370 WeakPolarHBondContact OD1-CB 3.16Å; N331-R400 VanDerWaalsContact O-CB 3.31Å; N331-R400 WeakPolarHBondContact O-CB 3.31Å; N331-V401 PolarHBondContact ND2-O 3.42Å |
| 332 | M | 92.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.069 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -79.2 | -47.1 | 168.1 | -84 | -176.5 | 67.1 | 0 | 0 | 111.3 | L329 R330 L342 T346 I375 F397 R400 V402 | L329-M332 HydrophobicContact CB-CG 4.37Å; L329-M332 HydrophobicContact CB-SD 3.69Å; L329-M332 HydrophobicContact CD1-SD 3.46Å; L329-M332 WeakPolarHBondContact CD1-SD 3.41Å; L329-M332 HydrophobicContact CG-SD 4.19Å; R330-M332 PolarHBondContact O-N 3.18Å; M332-L342 HydrophobicContact CE-CD1 4.38Å; M332-T346 HydrophobicContact CE-CG2 4.15Å; M332-T346 HydrophobicContact SD-CG2 4.49Å; M332-I375 HydrophobicContact CB-CD1 4.17Å; M332-I375 HydrophobicContact CE-CD1 4.17Å; M332-I375 HydrophobicContact SD-CD1 3.88Å; M332-F397 HydrophobicContact CB-CD1 4.35Å; M332-F397 HydrophobicContact CE-CD1 4.29Å; M332-F397 HydrophobicContact CE-CD2 3.88Å; M332-F397 HydrophobicContact CE-CE1 4.35Å; M332-F397 HydrophobicContact CE-CE2 3.95Å; M332-F397 HydrophobicContact CE-CG 4.06Å; M332-F397 HydrophobicContact CE-CZ 4.18Å; M332-F397 WeakPolarHBondContact O-CD1 3.47Å; M332-R400 WeakPolarHBondContact O-CD 3.33Å; M332-V402 HydrophobicContact CG-CB 4.27Å; M332-V402 HydrophobicContact CG-CG1 3.82Å; M332-V402 HydrophobicContact CG-CG2 3.51Å; M332-V402 HydrophobicContact SD-CG1 4.35Å |
| 333 | V | 93.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -135.9 | 158.8 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 109.1 | E337 V338 L342 V373 F397 | V333-E337 HydrophobicContact CB-CB 4.02Å; V333-V338 HydrophobicContact CG2-CG2 4.1Å; V333-L342 HydrophobicContact CB-CD2 4.47Å; V333-L342 HydrophobicContact CG1-CD1 4.24Å; V333-L342 HydrophobicContact CG1-CD2 3.98Å; V333-L342 HydrophobicContact CG2-CD2 3.66Å; V333-V373 HydrophobicContact CG2-CB 3.92Å; V333-V373 HydrophobicContact CG2-CG1 3.7Å; V333-V373 HydrophobicContact CG2-CG2 4.03Å; V333-F397 HydrophobicContact CG1-CD1 4.48Å; V333-F397 HydrophobicContact CG1-CE1 3.98Å |
| 334 | G | 90.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -82.8 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G336 E337 D369 V373 R400 | G334-G336 PolarHBondContact O-N 2.85Å; G334-E337 WeakPolarHBondContact CA-OE2 3.42Å; G334-E337 PolarHBondContact N-OE2 2.88Å; G334-E337 WeakPolarHBondContact O-CB 3.47Å; G334-E337 PolarHBondContact O-N 2.79Å; G334-E337 VanDerWaalsContact O-N 3.07Å; G334-D369 WeakPolarHBondContact CA-OD1 3.42Å; G334-V373 VanDerWaalsContact O-CG2 3.28Å; G334-V373 WeakPolarHBondContact O-CG2 3.43Å; G334-R400 VanDerWaalsContact CA-NH2 3.29Å; G334-R400 VanDerWaalsContact N-CZ 3.35Å | ||
| 335 | R | 90.3 | Very high | 92.6 | Very high | 128 Ų | 128 | 54.9 Ų | 54.9 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 123.6 | 177 | -170.5 | -173.7 | 177.5 | 168 | 0.3 | 110.5 | E337 E363 D369 A372 | R335-E337 PolarHBondContact O-N 2.81Å; R335-E363 WeakPolarHBondContact CG-OE1 3.47Å; R335-E363 IonicContact NE-OE1 3.12Å; R335-D369 PolarHBondContact N-OD1 2.87Å; R335-A372 HydrophobicContact CB-CB 3.97Å; R335-A372 HydrophobicContact CG-CB 4.42Å |
| 336 | G | 86.6 | Confident | 92.6 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | G334 V338 E363 | G334-G336 PolarHBondContact O-N 2.85Å; G336-V338 VanDerWaalsContact C-N 3.28Å; G336-E363 PolarHBondContact N-OE2 3.24Å |
| 337 | E | 88.6 | Confident | 92.5 | Very high | 106 Ų | 106 | 55.2 Ų | 55.2 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | trans | -93.6 | 21.3 | 169.5 | -61 | -177.8 | 155.9 | 0 | 0 | 111.6 | V333 G334 R335 R400 | V333-E337 HydrophobicContact CB-CB 4.02Å; G334-E337 WeakPolarHBondContact CA-OE2 3.42Å; G334-E337 PolarHBondContact N-OE2 2.88Å; G334-E337 WeakPolarHBondContact O-CB 3.47Å; G334-E337 PolarHBondContact O-N 2.79Å; G334-E337 VanDerWaalsContact O-N 3.07Å; R335-E337 PolarHBondContact O-N 2.81Å; E337-R400 IonicContact OE1-NH2 3.66Å; E337-R400 IonicContact OE2-CZ 3.45Å; E337-R400 IonicContact OE2-NE 3.46Å; E337-R400 PolarHBondContact OE2-NE 3.06Å; E337-R400 IonicContact OE2-NH2 2.79Å; E337-R400 PolarHBondContact OE2-NH2 3.27Å | ||
| 338 | V | 91.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | trans | -89.9 | 111.7 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 109 | V333 G336 L342 I361 V373 | V333-V338 HydrophobicContact CG2-CG2 4.1Å; G336-V338 VanDerWaalsContact C-N 3.28Å; V338-L342 HydrophobicContact CG1-CD2 4.38Å; V338-I361 HydrophobicContact CG1-CD1 4.34Å; V338-I361 HydrophobicContact CG1-CG2 3.9Å; V338-I361 HydrophobicContact CG2-CG2 4.17Å; V338-V373 HydrophobicContact CG2-CB 4.42Å; V338-V373 HydrophobicContact CG2-CG1 3.77Å; V338-V373 HydrophobicContact CG2-CG2 3.72Å | ||
| 339 | D | 92 | Very high | 92.3 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | trans | -100.8 | 176.5 | 171.7 | 60 | 26.1 | 0 | 0 | 0 | 112.1 | D341 L342 | D339-D341 VanDerWaalsContact C-N 3.32Å; D339-D341 PolarHBondContact OD1-N 3.01Å; D339-L342 WeakPolarHBondContact OD1-CB 3.26Å; D339-L342 PolarHBondContact OD1-N 3.11Å | ||
| 340 | E | 91.8 | Very high | 92.3 | Very high | 193 Ų | 193 | 65.8 Ų | 65.8 | 90% | 0.902 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -74.3 | -23 | -178.9 | -62.5 | -176.9 | -179.4 | 0 | 0 | 112.5 | ||
| 341 | D | 91.5 | Very high | 92.3 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -83.6 | -30.2 | -176.9 | -68.4 | -43 | 0 | 0 | 0 | 112.3 | D339 E343 G344 E345 | D339-D341 VanDerWaalsContact C-N 3.32Å; D339-D341 PolarHBondContact OD1-N 3.01Å; D341-E343 VanDerWaalsContact C-N 3.26Å; D341-E343 PolarHBondContact O-N 3.45Å; D341-E343 VanDerWaalsContact O-N 3.14Å; D341-G344 WeakPolarHBondContact O-CA 3.47Å; D341-G344 PolarHBondContact O-N 3.23Å; D341-E345 PolarHBondContact O-N 2.89Å |
| 342 | L | 91.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 73.6 Ų | 73.6 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -52.6 | -36.5 | -178.6 | 178.5 | 64 | 0 | 0 | 0 | 114.1 | M332 V333 V338 D339 T346 I361 I375 F397 | M332-L342 HydrophobicContact CE-CD1 4.38Å; V333-L342 HydrophobicContact CB-CD2 4.47Å; V333-L342 HydrophobicContact CG1-CD1 4.24Å; V333-L342 HydrophobicContact CG1-CD2 3.98Å; V333-L342 HydrophobicContact CG2-CD2 3.66Å; V338-L342 HydrophobicContact CG1-CD2 4.38Å; D339-L342 WeakPolarHBondContact OD1-CB 3.26Å; D339-L342 PolarHBondContact OD1-N 3.11Å; L342-T346 WeakPolarHBondContact O-CB 3.45Å; L342-T346 PolarHBondContact O-N 2.81Å; L342-T346 PolarHBondContact O-OG1 3.36Å; L342-I361 HydrophobicContact CB-CD1 4.31Å; L342-I361 HydrophobicContact CD2-CD1 4.07Å; L342-I361 HydrophobicContact CG-CD1 4Å; L342-I375 HydrophobicContact CD1-CD1 4.18Å; L342-I375 HydrophobicContact CD2-CD1 4.01Å; L342-I375 HydrophobicContact CG-CD1 4.13Å; L342-F397 HydrophobicContact CD1-CE1 4.18Å; L342-F397 HydrophobicContact CD1-CZ 3.96Å |
| 343 | E | 91.9 | Very high | 92.5 | Very high | 93 Ų | 93 | 74.1 Ų | 74.1 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 176.6 | -163.3 | -167.9 | 138.8 | 0 | 0 | 111 | D341 K347 C359 I361 | D341-E343 VanDerWaalsContact C-N 3.26Å; D341-E343 PolarHBondContact O-N 3.45Å; D341-E343 VanDerWaalsContact O-N 3.14Å; E343-K347 WeakPolarHBondContact O-CB 3.25Å; E343-K347 PolarHBondContact O-N 3.46Å; E343-C359 HydrophobicContact CG-CB 3.76Å; E343-I361 HydrophobicContact CB-CD1 3.87Å; E343-I361 HydrophobicContact CG-CD1 4.38Å |
| 344 | G | 92.9 | Very high | 92.6 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -54.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | D341 T346 K347 E348 | D341-G344 WeakPolarHBondContact O-CA 3.47Å; D341-G344 PolarHBondContact O-N 3.23Å; G344-T346 PolarHBondContact O-N 3.04Å; G344-K347 PolarHBondContact O-N 3.24Å; G344-E348 WeakPolarHBondContact O-CG 3.35Å; G344-E348 PolarHBondContact O-N 3.47Å |
| 345 | E | 93.4 | Very high | 92.9 | Very high | 115 Ų | 115 | 81 Ų | 81 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 179.1 | -67.6 | -163.2 | 158 | 0 | 0 | 111.9 | D341 K347 E348 E349 | D341-E345 PolarHBondContact O-N 2.89Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 3.38Å; E345-E348 PolarHBondContact O-N 3.26Å; E345-E349 VanDerWaalsContact O-CB 3.24Å; E345-E349 WeakPolarHBondContact O-CB 3.33Å; E345-E349 PolarHBondContact O-N 3.2Å |
| 346 | T | 94 | Very high | 93.2 | Very high | 6 Ų | 6 | 75.3 Ų | 75.3 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -36.6 | -179.3 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | L329 M332 L342 G344 C350 I375 L377 | L329-T346 HydrophobicContact CD1-CG2 4.11Å; M332-T346 HydrophobicContact CE-CG2 4.15Å; M332-T346 HydrophobicContact SD-CG2 4.49Å; L342-T346 WeakPolarHBondContact O-CB 3.45Å; L342-T346 PolarHBondContact O-N 2.81Å; L342-T346 PolarHBondContact O-OG1 3.36Å; G344-T346 PolarHBondContact O-N 3.04Å; T346-C350 VanDerWaalsContact O-CB 3.26Å; T346-C350 WeakPolarHBondContact O-CB 3.49Å; T346-C350 PolarHBondContact O-N 3.34Å; T346-C350 VanDerWaalsContact O-N 3.13Å; T346-C350 PolarHBondContact O-SG 2.61Å; T346-I375 HydrophobicContact CG2-CG2 4.02Å; T346-L377 HydrophobicContact CG2-CD1 4.1Å; T346-L377 HydrophobicContact CG2-CD2 4.46Å |
| 347 | K | 94.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 76.6 Ų | 76.6 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.2 | -50.7 | 176.8 | -179.3 | -173.8 | 170.1 | -163.5 | 0 | 111.6 | E343 G344 E345 E349 C350 E351 V356 | E343-K347 WeakPolarHBondContact O-CB 3.25Å; E343-K347 PolarHBondContact O-N 3.46Å; G344-K347 PolarHBondContact O-N 3.24Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 3.38Å; K347-E349 PolarHBondContact O-N 3.32Å; K347-C350 CarbonylContact O-C 3.57Å; K347-C350 WeakPolarHBondContact O-CA 3.25Å; K347-C350 PolarHBondContact O-N 2.9Å; K347-E351 VanDerWaalsContact CE-OE1 3.24Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 PolarHBondContact O-N 3.11Å; K347-V356 HydrophobicContact CG-CB 4.31Å; K347-V356 HydrophobicContact CG-CG1 4.26Å |
| 348 | E | 94.1 | Very high | 93.8 | Very high | 151 Ų | 151 | 75.8 Ų | 75.8 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.3 | -44.7 | 179.5 | -72 | -170.8 | -179.4 | 0 | 0 | 111.7 | G344 E345 C350 E351 | G344-E348 WeakPolarHBondContact O-CG 3.35Å; G344-E348 PolarHBondContact O-N 3.47Å; E345-E348 PolarHBondContact O-N 3.26Å; E348-C350 PolarHBondContact O-N 3.08Å; E348-E351 PolarHBondContact O-N 2.84Å |
| 349 | E | 92.9 | Very high | 94 | Very high | 71 Ų | 71 | 73.7 Ų | 73.7 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -24.6 | 175.5 | 178.4 | 64.5 | 165.6 | 0 | 0 | 112.5 | E345 K347 K352 R395 | E345-E349 VanDerWaalsContact O-CB 3.24Å; E345-E349 WeakPolarHBondContact O-CB 3.33Å; E345-E349 PolarHBondContact O-N 3.2Å; K347-E349 PolarHBondContact O-N 3.32Å; E349-K352 WeakPolarHBondContact O-CD 3.5Å; E349-K352 WeakPolarHBondContact O-CE 3.17Å; E349-K352 VanDerWaalsContact O-CG 3.24Å; E349-K352 WeakPolarHBondContact O-CG 3.37Å; E349-K352 IonicContact OE1-NZ 3.79Å; E349-K352 PolarHBondContact OE1-NZ 2.94Å; E349-K352 WeakPolarHBondContact OE2-CD 3.29Å; E349-K352 IonicContact OE2-NZ 2.61Å; E349-K352 PolarHBondContact OE2-NZ 3.36Å; E349-R395 IonicContact OE1-CZ 2.95Å; E349-R395 IonicContact OE1-NH1 2.6Å; E349-R395 PolarHBondContact OE1-NH1 3.47Å; E349-R395 IonicContact OE1-NH2 3.79Å; E349-R395 PolarHBondContact OE1-NH2 2.94Å |
| 350 | C | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -87.2 | -26.8 | 175.2 | -73.5 | 0 | 0 | 0 | 0 | 114.1 | T346 K347 E348 K352 Y353 V356 L377 F379 | T346-C350 VanDerWaalsContact O-CB 3.26Å; T346-C350 WeakPolarHBondContact O-CB 3.49Å; T346-C350 PolarHBondContact O-N 3.34Å; T346-C350 VanDerWaalsContact O-N 3.13Å; T346-C350 PolarHBondContact O-SG 2.61Å; K347-C350 CarbonylContact O-C 3.57Å; K347-C350 WeakPolarHBondContact O-CA 3.25Å; K347-C350 PolarHBondContact O-N 2.9Å; E348-C350 PolarHBondContact O-N 3.08Å; C350-K352 PolarHBondContact O-N 3.26Å; C350-K352 VanDerWaalsContact O-N 3.11Å; C350-Y353 HydrophobicContact CB-CD2 4.49Å; C350-Y353 WeakPolarHBondContact O-CD2 3.24Å; C350-Y353 PolarHBondContact O-N 2.54Å; C350-V356 HydrophobicContact CB-CG2 3.89Å; C350-L377 HydrophobicContact CB-CD1 4.31Å; C350-L377 HydrophobicContact CB-CD2 4.18Å; C350-L377 WeakPolarHBondContact SG-CD1 3.49Å; C350-F379 HydrophobicContact CB-CE1 4.38Å; C350-F379 HydrophobicContact CB-CZ 3.96Å |
| 351 | E | 95.7 | Very high | 94.2 | Very high | 94 Ų | 94 | 63 Ų | 63 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -23.1 | 178.3 | -79.2 | -172 | -173.5 | 0 | 0 | 112.8 | K347 E348 Y353 G354 V356 | K347-E351 VanDerWaalsContact CE-OE1 3.24Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 PolarHBondContact O-N 3.11Å; E348-E351 PolarHBondContact O-N 2.84Å; E351-Y353 PolarHBondContact O-N 2.84Å; E351-G354 WeakPolarHBondContact CA-O 3.24Å; E351-G354 CarbonylContact O-C 3.59Å; E351-G354 WeakPolarHBondContact O-CA 3.37Å; E351-G354 PolarHBondContact O-N 3.4Å; E351-V356 HydrophobicContact CG-CB 4.26Å; E351-V356 HydrophobicContact CG-CG2 3.97Å |
| 352 | K | 95.6 | Very high | 94.2 | Very high | 108 Ų | 108 | 61.3 Ų | 61.3 | 47% | 0.47 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25 | 173.2 | 81 | -167.2 | 178 | 179.9 | 0 | 114.5 | E349 C350 | E349-K352 WeakPolarHBondContact O-CD 3.5Å; E349-K352 WeakPolarHBondContact O-CE 3.17Å; E349-K352 VanDerWaalsContact O-CG 3.24Å; E349-K352 WeakPolarHBondContact O-CG 3.37Å; E349-K352 IonicContact OE1-NZ 3.79Å; E349-K352 PolarHBondContact OE1-NZ 2.94Å; E349-K352 WeakPolarHBondContact OE2-CD 3.29Å; E349-K352 IonicContact OE2-NZ 2.61Å; E349-K352 PolarHBondContact OE2-NZ 3.36Å; C350-K352 PolarHBondContact O-N 3.26Å; C350-K352 VanDerWaalsContact O-N 3.11Å |
| 353 | Y | 95.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -21.1 | 174.8 | -49.2 | -69.4 | 0 | 0 | 0 | 112.1 | C350 E351 S384 K387 A388 D391 L392 | C350-Y353 HydrophobicContact CB-CD2 4.49Å; C350-Y353 WeakPolarHBondContact O-CD2 3.24Å; C350-Y353 PolarHBondContact O-N 2.54Å; E351-Y353 PolarHBondContact O-N 2.84Å; Y353-S384 VanDerWaalsContact O-CB 3.27Å; Y353-S384 WeakPolarHBondContact O-CB 3.42Å; Y353-S384 PolarHBondContact O-OG 2.96Å; Y353-K387 HydrophobicContact CD1-CB 4.16Å; Y353-A388 HydrophobicContact CD2-CB 3.53Å; Y353-A388 HydrophobicContact CE2-CB 3.99Å; Y353-A388 HydrophobicContact CG-CB 3.89Å; Y353-D391 HydrophobicContact CE1-CB 3.59Å; Y353-D391 WeakPolarHBondContact CE1-OD2 3.38Å; Y353-D391 PolarHBondContact OH-OD2 2.9Å; Y353-L392 HydrophobicContact CE2-CD1 4.07Å; Y353-L392 HydrophobicContact CE2-CD2 4.24Å; Y353-L392 HydrophobicContact CE2-CG 4.07Å; Y353-L392 WeakPolarHBondContact OH-CD2 3.49Å |
| 354 | G | 95.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 149.1 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E351 V356 S384 | E351-G354 WeakPolarHBondContact CA-O 3.24Å; E351-G354 CarbonylContact O-C 3.59Å; E351-G354 WeakPolarHBondContact O-CA 3.37Å; E351-G354 PolarHBondContact O-N 3.4Å; G354-V356 PolarHBondContact O-N 2.85Å; G354-S384 WeakPolarHBondContact CA-OG 3.45Å |
| 355 | K | 96.6 | Very high | 93.7 | Very high | 141 Ų | 141 | 62.7 Ų | 62.7 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | trans | -59.1 | 118.7 | -172.2 | -167.3 | -178.1 | -172.9 | -178.9 | 0 | 112.6 | E380 | K355-E380 HydrophobicContact CB-CB 4.33Å; K355-E380 VanDerWaalsContact CD-OE2 3.24Å; K355-E380 WeakPolarHBondContact CD-OE2 3.31Å; K355-E380 PolarHBondContact O-N 2.98Å | ||
| 356 | V | 96.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.5 | 170.4 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | K347 C350 E351 G354 L377 F379 | K347-V356 HydrophobicContact CG-CB 4.31Å; K347-V356 HydrophobicContact CG-CG1 4.26Å; C350-V356 HydrophobicContact CB-CG2 3.89Å; E351-V356 HydrophobicContact CG-CB 4.26Å; E351-V356 HydrophobicContact CG-CG2 3.97Å; G354-V356 PolarHBondContact O-N 2.85Å; V356-L377 HydrophobicContact CG1-CD2 4.02Å; V356-F379 HydrophobicContact CG2-CD1 4.14Å; V356-F379 HydrophobicContact CG2-CE1 3.77Å; V356-F379 HydrophobicContact CG2-CZ 4.27Å |
| 357 | V | 95.1 | Very high | 93 | Very high | 89 Ų | 89 | 65.9 Ų | 65.9 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -42.4 | 178.2 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | E378 E380 | V357-E378 HydrophobicContact CB-CG 4.3Å; V357-E378 PolarHBondContact N-O 3.49Å; V357-E380 HydrophobicContact CG2-CB 4.11Å |
| 358 | K | 93.5 | Very high | 92.8 | Very high | 89 Ų | 89 | 65.7 Ų | 65.7 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 135.8 | -176.9 | -164.4 | -179.7 | -179.6 | -165.5 | 0 | 110.6 | V360 E378 F412 | K358-V360 HydrophobicContact CD-CG2 4Å; K358-V360 VanDerWaalsContact CE-CG2 3.5Å; K358-V360 HydrophobicContact CG-CG2 4.07Å; K358-E378 HydrophobicContact CB-CB 4.2Å; K358-E378 PolarHBondContact N-O 3.09Å; K358-E378 PolarHBondContact O-N 3.09Å; K358-F412 HydrophobicContact CB-CZ 4.45Å; K358-F412 HydrophobicContact CD-CE1 4.09Å; K358-F412 HydrophobicContact CD-CZ 3.95Å; K358-F412 HydrophobicContact CG-CZ 4.36Å |
| 359 | C | 94.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 145.4 | 163.3 | -160.7 | 0 | 0 | 0 | 0 | 107.9 | E343 F376 L377 | E343-C359 HydrophobicContact CG-CB 3.76Å; C359-F376 CarbonylContact C-O 3.52Å; C359-F376 WeakPolarHBondContact CA-O 3.42Å; C359-L377 HydrophobicContact CB-CD2 4.33Å |
| 360 | V | 93.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 124.7 | 171.6 | -178 | 0 | 0 | 0 | 0 | 108.5 | K358 F376 F412 L417 | K358-V360 HydrophobicContact CD-CG2 4Å; K358-V360 VanDerWaalsContact CE-CG2 3.5Å; K358-V360 HydrophobicContact CG-CG2 4.07Å; V360-F376 HydrophobicContact CB-CB 4.37Å; V360-F376 PolarHBondContact N-O 2.95Å; V360-F376 PolarHBondContact O-N 3.45Å; V360-F412 HydrophobicContact CB-CE2 4.15Å; V360-F412 HydrophobicContact CG2-CE2 3.83Å; V360-F412 HydrophobicContact CG2-CZ 3.8Å; V360-L417 HydrophobicContact CG1-CD1 3.92Å |
| 361 | I | 94.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.5 | 170.6 | -55.6 | 176.5 | 0 | 0 | 0 | 108.4 | V338 L342 E343 V373 I375 | V338-I361 HydrophobicContact CG1-CD1 4.34Å; V338-I361 HydrophobicContact CG1-CG2 3.9Å; V338-I361 HydrophobicContact CG2-CG2 4.17Å; L342-I361 HydrophobicContact CB-CD1 4.31Å; L342-I361 HydrophobicContact CD2-CD1 4.07Å; L342-I361 HydrophobicContact CG-CD1 4Å; E343-I361 HydrophobicContact CB-CD1 3.87Å; E343-I361 HydrophobicContact CG-CD1 4.38Å; I361-V373 HydrophobicContact CG2-CG1 3.93Å; I361-I375 HydrophobicContact CG1-CG1 4.24Å; I361-I375 HydrophobicContact CG1-CG2 4.14Å; I361-I375 HydrophobicContact CG2-CG1 4.39Å |
| 362 | F | 92.8 | Very high | 92 | Very high | 80 Ų | 80 | 58.1 Ų | 58.1 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 121.4 | 178 | -174.1 | -117.1 | 0 | 0 | 0 | 110 | I364 R374 F376 L417 | F362-I364 HydrophobicContact CD1-CD1 4.13Å; F362-I364 HydrophobicContact CD1-CG1 3.72Å; F362-I364 HydrophobicContact CE1-CD1 3.95Å; F362-I364 HydrophobicContact CE1-CG1 3.62Å; F362-R374 PolarHBondContact N-O 3.4Å; F362-R374 PolarHBondContact O-N 3.34Å; F362-F376 HydrophobicContact CB-CE2 4.13Å; F362-L417 HydrophobicContact CB-CB 4.37Å; F362-L417 HydrophobicContact CB-CD1 3.89Å; F362-L417 HydrophobicContact CD1-CB 3.59Å; F362-L417 HydrophobicContact CD1-CD1 4.48Å; F362-L417 HydrophobicContact CD2-CD1 4.27Å; F362-L417 HydrophobicContact CE1-CB 3.96Å; F362-L417 HydrophobicContact CG-CB 3.97Å; F362-L417 HydrophobicContact CG-CD1 3.98Å |
| 363 | E | 91.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130 | 173.2 | -173.2 | 178.4 | 137.3 | 0 | 0 | 109.8 | R335 G336 A372 V373 | R335-E363 WeakPolarHBondContact CG-OE1 3.47Å; R335-E363 IonicContact NE-OE1 3.12Å; G336-E363 PolarHBondContact N-OE2 3.24Å; E363-A372 CarbonylContact C-O 3.6Å; E363-A372 WeakPolarHBondContact CA-O 3.34Å; E363-V373 HydrophobicContact CG-CG2 4.22Å |
| 364 | I | 88.9 | Confident | 91.8 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -103.8 | 123.4 | 178.9 | -47.8 | -167.7 | 0 | 0 | 0 | 109.4 | F362 V367 A372 R374 | F362-I364 HydrophobicContact CD1-CD1 4.13Å; F362-I364 HydrophobicContact CD1-CG1 3.72Å; F362-I364 HydrophobicContact CE1-CD1 3.95Å; F362-I364 HydrophobicContact CE1-CG1 3.62Å; I364-V367 HydrophobicContact CB-CB 4.39Å; I364-V367 HydrophobicContact CB-CG2 4.09Å; I364-V367 HydrophobicContact CG2-CB 4.38Å; I364-V367 HydrophobicContact CG2-CG2 3.58Å; I364-A372 PolarHBondContact N-O 2.79Å; I364-R374 HydrophobicContact CD1-CG 4.43Å |
| 365 | A | 84.7 | Confident | 91.8 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 150.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V367 | A365-V367 VanDerWaalsContact C-N 3.25Å; A365-V367 PolarHBondContact O-N 2.87Å |
| 366 | D | 84.3 | Confident | 91.8 | Very high | 149 Ų | 149 | 44.7 Ų | 44.7 | 80% | 0.797 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 23.6 | 170.8 | -49 | -31.3 | 0 | 0 | 0 | 116 | ||
| 367 | V | 88.4 | Confident | 91.8 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -112.5 | 148.7 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 109.2 | I364 A365 E371 | I364-V367 HydrophobicContact CB-CB 4.39Å; I364-V367 HydrophobicContact CB-CG2 4.09Å; I364-V367 HydrophobicContact CG2-CB 4.38Å; I364-V367 HydrophobicContact CG2-CG2 3.58Å; A365-V367 VanDerWaalsContact C-N 3.25Å; A365-V367 PolarHBondContact O-N 2.87Å; V367-E371 VanDerWaalsContact CG1-C 3.46Å; V367-E371 HydrophobicContact CG1-CB 3.41Å; V367-E371 VanDerWaalsContact CG1-CB 3.41Å |
| 368 | P | 90.4 | Very high | 91.9 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 51% | 0.506 | 22% | 0.223 | S | C | . | . | trans | -59.5 | 154.7 | 176.7 | 25.4 | -37.1 | 0 | 0 | 0 | 112.7 | D370 E371 A372 | P368-D370 PolarHBondContact O-N 3.44Å; P368-D370 VanDerWaalsContact O-N 3.1Å; P368-E371 HydrophobicContact CG-CB 4.3Å; P368-E371 HydrophobicContact CG-CG 4.33Å; P368-E371 CarbonylContact O-C 3.53Å; P368-E371 PolarHBondContact O-N 2.9Å; P368-A372 PolarHBondContact O-N 3.2Å | ||
| 369 | D | 89.3 | Confident | 92 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.7 | -27.9 | -170.4 | -165.8 | 62.1 | 0 | 0 | 0 | 114.6 | G334 R335 E371 R400 | G334-D369 WeakPolarHBondContact CA-OD1 3.42Å; R335-D369 PolarHBondContact N-OD1 2.87Å; D369-E371 VanDerWaalsContact C-N 3.31Å; D369-R400 IonicContact OD2-CZ 3.22Å; D369-R400 VanDerWaalsContact OD2-CZ 3.22Å; D369-R400 IonicContact OD2-NH1 2.72Å; D369-R400 PolarHBondContact OD2-NH1 2.99Å; D369-R400 IonicContact OD2-NH2 2.81Å; D369-R400 PolarHBondContact OD2-NH2 2.9Å |
| 370 | D | 89.1 | Confident | 92.1 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -81.3 | -8.7 | 177 | 73.5 | -52 | 0 | 0 | 0 | 114 | N331 P368 K403 | N331-D370 WeakPolarHBondContact CA-O 3.23Å; N331-D370 HydrophobicContact CB-CB 4.13Å; N331-D370 WeakPolarHBondContact CB-O 3.47Å; N331-D370 PolarHBondContact N-O 3.05Å; N331-D370 WeakPolarHBondContact OD1-CA 3.49Å; N331-D370 WeakPolarHBondContact OD1-CB 3.16Å; P368-D370 PolarHBondContact O-N 3.44Å; P368-D370 VanDerWaalsContact O-N 3.1Å; D370-K403 IonicContact OD2-NZ 2.6Å; D370-K403 PolarHBondContact OD2-NZ 3.47Å |
| 371 | E | 89.9 | Confident | 92.2 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -122.4 | -7.4 | 176.8 | -57.1 | -162.1 | 159.7 | 0 | 0 | 113.6 | R330 V367 P368 D369 Q420 | R330-E371 IonicContact CZ-OE1 2.62Å; R330-E371 IonicContact NH2-OE1 2.64Å; R330-E371 PolarHBondContact NH2-OE1 2.8Å; R330-E371 IonicContact NH2-OE2 3.88Å; R330-E371 PolarHBondContact NH2-OE2 3.32Å; V367-E371 VanDerWaalsContact CG1-C 3.46Å; V367-E371 HydrophobicContact CG1-CB 3.41Å; V367-E371 VanDerWaalsContact CG1-CB 3.41Å; P368-E371 HydrophobicContact CG-CB 4.3Å; P368-E371 HydrophobicContact CG-CG 4.33Å; P368-E371 CarbonylContact O-C 3.53Å; P368-E371 PolarHBondContact O-N 2.9Å; D369-E371 VanDerWaalsContact C-N 3.31Å; E371-Q420 PolarHBondContact OE2-NE2 3.41Å; E371-Q420 VanDerWaalsContact OE2-NE2 3.16Å |
| 372 | A | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R335 E363 I364 P368 | R335-A372 HydrophobicContact CB-CB 3.97Å; R335-A372 HydrophobicContact CG-CB 4.42Å; E363-A372 CarbonylContact C-O 3.6Å; E363-A372 WeakPolarHBondContact CA-O 3.34Å; I364-A372 PolarHBondContact N-O 2.79Å; P368-A372 PolarHBondContact O-N 3.2Å |
| 373 | V | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.6 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 111 | V333 G334 V338 I361 E363 I375 | V333-V373 HydrophobicContact CG2-CB 3.92Å; V333-V373 HydrophobicContact CG2-CG1 3.7Å; V333-V373 HydrophobicContact CG2-CG2 4.03Å; G334-V373 VanDerWaalsContact O-CG2 3.28Å; G334-V373 WeakPolarHBondContact O-CG2 3.43Å; V338-V373 HydrophobicContact CG2-CB 4.42Å; V338-V373 HydrophobicContact CG2-CG1 3.77Å; V338-V373 HydrophobicContact CG2-CG2 3.72Å; I361-V373 HydrophobicContact CG2-CG1 3.93Å; E363-V373 HydrophobicContact CG-CG2 4.22Å; V373-I375 HydrophobicContact CG1-CG1 4.25Å |
| 374 | R | 94.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.3 | 178.8 | -64 | -169.7 | -175.7 | -175.9 | 0.6 | 109.9 | L328 F362 I364 F376 L417 G418 E419 | L328-R374 HydrophobicContact CD1-CB 3.66Å; L328-R374 HydrophobicContact CD1-CG 4.08Å; F362-R374 PolarHBondContact N-O 3.4Å; F362-R374 PolarHBondContact O-N 3.34Å; I364-R374 HydrophobicContact CD1-CG 4.43Å; R374-F376 HydrophobicContact CB-CD2 4.35Å; R374-F376 HydrophobicContact CB-CE2 3.56Å; R374-F376 HydrophobicContact CB-CZ 4.01Å; R374-L417 PolarHBondContact NH1-O 3.05Å; R374-G418 PolarHBondContact NH1-O 3.37Å; R374-G418 PolarHBondContact NH2-O 3.19Å; R374-G418 VanDerWaalsContact NH2-O 3.09Å; R374-E419 PolarHBondContact NH1-O 3.33Å |
| 375 | I | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122 | 178.3 | -49.9 | 178.7 | 0 | 0 | 0 | 108.4 | L328 L329 M332 L342 T346 I361 V373 | L328-I375 WeakPolarHBondContact CA-O 3.24Å; L329-I375 HydrophobicContact CB-CB 4.36Å; L329-I375 PolarHBondContact N-O 2.86Å; L329-I375 PolarHBondContact O-N 3.23Å; M332-I375 HydrophobicContact CB-CD1 4.17Å; M332-I375 HydrophobicContact CE-CD1 4.17Å; M332-I375 HydrophobicContact SD-CD1 3.88Å; L342-I375 HydrophobicContact CD1-CD1 4.18Å; L342-I375 HydrophobicContact CD2-CD1 4.01Å; L342-I375 HydrophobicContact CG-CD1 4.13Å; T346-I375 HydrophobicContact CG2-CG2 4.02Å; I361-I375 HydrophobicContact CG1-CG1 4.24Å; I361-I375 HydrophobicContact CG1-CG2 4.14Å; I361-I375 HydrophobicContact CG2-CG1 4.39Å; V373-I375 HydrophobicContact CG1-CG1 4.25Å |
| 376 | F | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.5 | -176.9 | -61.6 | -95.5 | 0 | 0 | 0 | 110.8 | V326 V327 L328 C359 V360 F362 R374 Y407 F412 L417 | V326-F376 HydrophobicContact CG1-CD1 4.44Å; V327-F376 CarbonylContact O-C 3.53Å; V327-F376 WeakPolarHBondContact O-CA 3.13Å; L328-F376 HydrophobicContact CB-CD1 4.24Å; L328-F376 HydrophobicContact CB-CE1 4.24Å; L328-F376 HydrophobicContact CD1-CD1 4.17Å; L328-F376 HydrophobicContact CD1-CE1 3.84Å; L328-F376 HydrophobicContact CD1-CE2 4.22Å; L328-F376 HydrophobicContact CD1-CZ 3.87Å; L328-F376 HydrophobicContact CD2-CE1 4.22Å; L328-F376 HydrophobicContact CG-CE1 4.32Å; C359-F376 CarbonylContact C-O 3.52Å; C359-F376 WeakPolarHBondContact CA-O 3.42Å; V360-F376 HydrophobicContact CB-CB 4.37Å; V360-F376 PolarHBondContact N-O 2.95Å; V360-F376 PolarHBondContact O-N 3.45Å; F362-F376 HydrophobicContact CB-CE2 4.13Å; R374-F376 HydrophobicContact CB-CD2 4.35Å; R374-F376 HydrophobicContact CB-CE2 3.56Å; R374-F376 HydrophobicContact CB-CZ 4.01Å; F376-Y407 HydrophobicContact CD1-CD1 4.09Å; F376-Y407 HydrophobicContact CD1-CD2 4.46Å; F376-Y407 HydrophobicContact CD1-CG 4.01Å; F376-Y407 AromaticContact CE1-CD1 3.81Å; F376-Y407 HydrophobicContact CE1-CD1 3.81Å; F376-Y407 AromaticContact CE1-CD2 3.73Å; F376-Y407 HydrophobicContact CE1-CD2 3.73Å; F376-Y407 AromaticContact CE1-CE1 3.98Å; F376-Y407 HydrophobicContact CE1-CE1 3.98Å; F376-Y407 AromaticContact CE1-CE2 3.92Å; F376-Y407 HydrophobicContact CE1-CE2 3.92Å; F376-Y407 AromaticContact CE1-CG 3.68Å; F376-Y407 HydrophobicContact CE1-CG 3.68Å; F376-F412 HydrophobicContact CB-CD2 3.93Å; F376-F412 HydrophobicContact CB-CE2 3.45Å; F376-F412 VanDerWaalsContact CB-CE2 3.45Å; F376-F412 HydrophobicContact CB-CZ 4.37Å; F376-F412 HydrophobicContact CD1-CD2 4.14Å; F376-F412 HydrophobicContact CG-CD2 4.18Å; F376-F412 HydrophobicContact CG-CE2 4.11Å; F376-L417 HydrophobicContact CD1-CD2 4.17Å; F376-L417 HydrophobicContact CD2-CD1 4.28Å; F376-L417 HydrophobicContact CD2-CD2 4.09Å; F376-L417 HydrophobicContact CE1-CD2 3.94Å; F376-L417 HydrophobicContact CE2-CB 3.78Å; F376-L417 HydrophobicContact CE2-CD1 4.1Å; F376-L417 HydrophobicContact CE2-CD2 3.87Å; F376-L417 HydrophobicContact CE2-CG 4.11Å; F376-L417 HydrophobicContact CG-CD2 4.24Å; F376-L417 HydrophobicContact CZ-CB 3.75Å; F376-L417 HydrophobicContact CZ-CD2 3.79Å; F376-L417 HydrophobicContact CZ-CG 4.25Å |
| 377 | L | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 110.6 | -177.5 | -70.2 | 151.9 | 0 | 0 | 0 | 109.9 | V326 V327 L329 T346 C350 V356 C359 F379 | V326-L377 CarbonylContact C-O 3.57Å; V326-L377 WeakPolarHBondContact CA-O 3.47Å; V327-L377 HydrophobicContact CB-CB 4.4Å; V327-L377 PolarHBondContact N-O 2.88Å; V327-L377 PolarHBondContact O-N 3.21Å; L329-L377 HydrophobicContact CD1-CD1 3.62Å; L329-L377 HydrophobicContact CG-CD1 4.18Å; T346-L377 HydrophobicContact CG2-CD1 4.1Å; T346-L377 HydrophobicContact CG2-CD2 4.46Å; C350-L377 HydrophobicContact CB-CD1 4.31Å; C350-L377 HydrophobicContact CB-CD2 4.18Å; C350-L377 WeakPolarHBondContact SG-CD1 3.49Å; V356-L377 HydrophobicContact CG1-CD2 4.02Å; C359-L377 HydrophobicContact CB-CD2 4.33Å; L377-F379 HydrophobicContact CB-CE2 4.04Å |
| 378 | E | 95.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.8 | 171.2 | -176 | 176.5 | -163.4 | 0 | 0 | 109.9 | V326 V357 K358 F412 | V326-E378 HydrophobicContact CG2-CB 4.34Å; V326-E378 HydrophobicContact CG2-CG 4.31Å; V357-E378 HydrophobicContact CB-CG 4.3Å; V357-E378 PolarHBondContact N-O 3.49Å; K358-E378 HydrophobicContact CB-CB 4.2Å; K358-E378 PolarHBondContact N-O 3.09Å; K358-E378 PolarHBondContact O-N 3.09Å; E378-F412 HydrophobicContact CB-CD1 4.43Å; E378-F412 HydrophobicContact CB-CE1 3.72Å; E378-F412 HydrophobicContact CB-CZ 4.33Å; E378-F412 HydrophobicContact CG-CE1 4.42Å |
| 379 | F | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 152.8 | 173.2 | -71.4 | -90 | 0 | 0 | 0 | 111.8 | K325 V327 C350 V356 L377 R381 A385 A388 | K325-F379 PolarHBondContact O-N 3.32Å; V327-F379 HydrophobicContact CB-CE2 4.29Å; V327-F379 HydrophobicContact CG2-CD2 4.02Å; V327-F379 HydrophobicContact CG2-CE2 3.72Å; C350-F379 HydrophobicContact CB-CE1 4.38Å; C350-F379 HydrophobicContact CB-CZ 3.96Å; V356-F379 HydrophobicContact CG2-CD1 4.14Å; V356-F379 HydrophobicContact CG2-CE1 3.77Å; V356-F379 HydrophobicContact CG2-CZ 4.27Å; L377-F379 HydrophobicContact CB-CE2 4.04Å; F379-R381 PolarHBondContact O-N 3.18Å; F379-A385 HydrophobicContact CB-CB 4.41Å; F379-A385 HydrophobicContact CD2-CB 3.8Å; F379-A385 HydrophobicContact CE2-CB 4.47Å; F379-A385 HydrophobicContact CG-CB 4.34Å; F379-A388 HydrophobicContact CE2-CB 3.89Å; F379-A388 HydrophobicContact CZ-CB 3.64Å |
| 380 | E | 96.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -61.5 | -35.5 | 174.2 | -168.4 | -167.4 | 142.6 | 0 | 0 | 111.8 | K325 K355 V357 | K325-E380 WeakPolarHBondContact CE-O 3.1Å; K325-E380 PolarHBondContact NZ-O 3.19Å; K355-E380 HydrophobicContact CB-CB 4.33Å; K355-E380 VanDerWaalsContact CD-OE2 3.24Å; K355-E380 WeakPolarHBondContact CD-OE2 3.31Å; K355-E380 PolarHBondContact O-N 2.98Å; V357-E380 HydrophobicContact CG2-CB 4.11Å |
| 381 | R | 96.3 | Very high | 95.1 | Very high | 136 Ų | 136 | 38.2 Ų | 38.2 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -126.3 | 140.7 | -176.5 | -68.8 | -179.1 | 173.4 | 68.7 | 8.8 | 111.8 | F379 E383 S384 A385 | F379-R381 PolarHBondContact O-N 3.18Å; R381-E383 VanDerWaalsContact C-N 3.25Å; R381-E383 PolarHBondContact O-N 3.13Å; R381-S384 PolarHBondContact O-N 3.26Å; R381-S384 VanDerWaalsContact O-N 3.16Å; R381-A385 PolarHBondContact O-N 2.89Å |
| 382 | V | 95.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 31% | 0.309 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.3 | -37.1 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | P323 K325 S384 A385 I386 | P323-V382 HydrophobicContact CB-CG1 3.93Å; K325-V382 HydrophobicContact CG-CG2 3.51Å; V382-S384 PolarHBondContact O-N 3Å; V382-A385 WeakPolarHBondContact O-CB 3.48Å; V382-A385 PolarHBondContact O-N 3.3Å; V382-A385 VanDerWaalsContact O-N 3.13Å; V382-I386 HydrophobicContact CG1-CD1 4.02Å; V382-I386 HydrophobicContact CG1-CG1 4.28Å; V382-I386 WeakPolarHBondContact O-CG1 3.42Å; V382-I386 PolarHBondContact O-N 2.87Å |
| 383 | E | 95.3 | Very high | 95.5 | Very high | 129 Ų | 129 | 39.5 Ų | 39.5 | 60% | 0.603 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -57.8 | -33.8 | 177.7 | -63.2 | 174.3 | -163.1 | 0 | 0 | 113.7 | R381 K387 | R381-E383 VanDerWaalsContact C-N 3.25Å; R381-E383 PolarHBondContact O-N 3.13Å; E383-K387 WeakPolarHBondContact O-CG 3.26Å; E383-K387 PolarHBondContact O-N 2.94Å |
| 384 | S | 96.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.3 | -41.2 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | Y353 G354 R381 V382 I386 K387 A388 | Y353-S384 VanDerWaalsContact O-CB 3.27Å; Y353-S384 WeakPolarHBondContact O-CB 3.42Å; Y353-S384 PolarHBondContact O-OG 2.96Å; G354-S384 WeakPolarHBondContact CA-OG 3.45Å; R381-S384 PolarHBondContact O-N 3.26Å; R381-S384 VanDerWaalsContact O-N 3.16Å; V382-S384 PolarHBondContact O-N 3Å; S384-I386 VanDerWaalsContact C-N 3.33Å; S384-I386 PolarHBondContact O-N 3.1Å; S384-K387 PolarHBondContact O-N 2.96Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 2.82Å |
| 385 | A | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | T324 V327 F379 R381 V382 K387 A388 V389 F406 | T324-A385 VanDerWaalsContact O-CB 3.23Å; T324-A385 WeakPolarHBondContact O-CB 3.5Å; V327-A385 HydrophobicContact CG2-CB 3.62Å; F379-A385 HydrophobicContact CB-CB 4.41Å; F379-A385 HydrophobicContact CD2-CB 3.8Å; F379-A385 HydrophobicContact CE2-CB 4.47Å; F379-A385 HydrophobicContact CG-CB 4.34Å; R381-A385 PolarHBondContact O-N 2.89Å; V382-A385 WeakPolarHBondContact O-CB 3.48Å; V382-A385 PolarHBondContact O-N 3.3Å; V382-A385 VanDerWaalsContact O-N 3.13Å; A385-K387 PolarHBondContact O-N 3.48Å; A385-A388 PolarHBondContact O-N 3.22Å; A385-V389 WeakPolarHBondContact O-CG2 3.44Å; A385-V389 PolarHBondContact O-N 2.6Å; A385-F406 HydrophobicContact CB-CE1 4.17Å |
| 386 | I | 95.1 | Very high | 95.3 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.7 | -64.3 | 166.4 | 0 | 0 | 0 | 111.2 | L320 P323 V382 S384 A388 V389 V390 F406 | L320-I386 HydrophobicContact CD2-CG2 4.08Å; P323-I386 HydrophobicContact CB-CD1 3.81Å; P323-I386 HydrophobicContact CB-CG1 3.74Å; P323-I386 HydrophobicContact CG-CD1 4.36Å; V382-I386 HydrophobicContact CG1-CD1 4.02Å; V382-I386 HydrophobicContact CG1-CG1 4.28Å; V382-I386 WeakPolarHBondContact O-CG1 3.42Å; V382-I386 PolarHBondContact O-N 2.87Å; S384-I386 VanDerWaalsContact C-N 3.33Å; S384-I386 PolarHBondContact O-N 3.1Å; I386-A388 PolarHBondContact O-N 2.7Å; I386-V389 PolarHBondContact O-N 2.66Å; I386-V390 HydrophobicContact CG2-CG2 4.43Å; I386-V390 VanDerWaalsContact O-CG2 3.3Å; I386-V390 WeakPolarHBondContact O-CG2 3.18Å; I386-V390 PolarHBondContact O-N 2.73Å; I386-F406 HydrophobicContact CB-CZ 4.3Å; I386-F406 HydrophobicContact CG1-CE1 3.98Å; I386-F406 HydrophobicContact CG1-CZ 3.76Å |
| 387 | K | 95.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 177.2 | -70.3 | 166.4 | -172 | 169.7 | 0 | 111.8 | Y353 E383 S384 A385 V390 D391 | Y353-K387 HydrophobicContact CD1-CB 4.16Å; E383-K387 WeakPolarHBondContact O-CG 3.26Å; E383-K387 PolarHBondContact O-N 2.94Å; S384-K387 PolarHBondContact O-N 2.96Å; A385-K387 PolarHBondContact O-N 3.48Å; K387-V390 PolarHBondContact O-N 3.46Å; K387-D391 WeakPolarHBondContact O-CB 3.38Å; K387-D391 PolarHBondContact O-N 2.89Å; K387-D391 VanDerWaalsContact O-N 3.13Å |
| 388 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V327 Y353 F379 S384 A385 I386 V390 D391 L392 | V327-A388 HydrophobicContact CG2-CB 4.47Å; Y353-A388 HydrophobicContact CD2-CB 3.53Å; Y353-A388 HydrophobicContact CE2-CB 3.99Å; Y353-A388 HydrophobicContact CG-CB 3.89Å; F379-A388 HydrophobicContact CE2-CB 3.89Å; F379-A388 HydrophobicContact CZ-CB 3.64Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 2.82Å; A385-A388 PolarHBondContact O-N 3.22Å; I386-A388 PolarHBondContact O-N 2.7Å; A388-V390 VanDerWaalsContact C-N 3.34Å; A388-V390 PolarHBondContact O-N 2.83Å; A388-D391 PolarHBondContact O-N 3.21Å; A388-L392 HydrophobicContact CB-CD1 4.19Å; A388-L392 WeakPolarHBondContact O-CB 3.37Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 3.24Å |
| 389 | V | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | I319 V327 A385 I386 D391 N393 F406 | I319-V389 HydrophobicContact CG2-CG1 3.5Å; I319-V389 VanDerWaalsContact CG2-CG1 3.5Å; V327-V389 HydrophobicContact CB-CG2 4.29Å; V327-V389 HydrophobicContact CG1-CG2 3.68Å; V327-V389 HydrophobicContact CG2-CG2 3.75Å; A385-V389 WeakPolarHBondContact O-CG2 3.44Å; A385-V389 PolarHBondContact O-N 2.6Å; I386-V389 PolarHBondContact O-N 2.66Å; V389-D391 PolarHBondContact O-N 2.83Å; V389-N393 WeakPolarHBondContact O-CB 3.44Å; V389-N393 PolarHBondContact O-N 3.42Å; V389-F406 HydrophobicContact CB-CE1 4.36Å; V389-F406 HydrophobicContact CB-CE2 4.45Å; V389-F406 HydrophobicContact CB-CZ 4.04Å; V389-F406 HydrophobicContact CG1-CE2 4.17Å; V389-F406 HydrophobicContact CG1-CZ 4.24Å; V389-F406 HydrophobicContact CG2-CD1 4.1Å; V389-F406 HydrophobicContact CG2-CE1 3.81Å; V389-F406 HydrophobicContact CG2-CE2 4.34Å; V389-F406 HydrophobicContact CG2-CG 4.49Å; V389-F406 HydrophobicContact CG2-CZ 3.93Å |
| 390 | V | 94.3 | Very high | 94.4 | Very high | 73 Ų | 73 | 65.1 Ų | 65.1 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.7 | -32.8 | -178.7 | 171 | 0 | 0 | 0 | 0 | 112.9 | I386 K387 A388 | I386-V390 HydrophobicContact CG2-CG2 4.43Å; I386-V390 VanDerWaalsContact O-CG2 3.3Å; I386-V390 WeakPolarHBondContact O-CG2 3.18Å; I386-V390 PolarHBondContact O-N 2.73Å; K387-V390 PolarHBondContact O-N 3.46Å; A388-V390 VanDerWaalsContact C-N 3.34Å; A388-V390 PolarHBondContact O-N 2.83Å |
| 391 | D | 94.3 | Very high | 94.3 | Very high | 85 Ų | 85 | 64.3 Ų | 64.3 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -94.3 | -26 | -176.8 | -165.8 | 67 | 0 | 0 | 0 | 113.7 | Y353 K387 A388 V389 | Y353-D391 HydrophobicContact CE1-CB 3.59Å; Y353-D391 WeakPolarHBondContact CE1-OD2 3.38Å; Y353-D391 PolarHBondContact OH-OD2 2.9Å; K387-D391 WeakPolarHBondContact O-CB 3.38Å; K387-D391 PolarHBondContact O-N 2.89Å; K387-D391 VanDerWaalsContact O-N 3.13Å; A388-D391 PolarHBondContact O-N 3.21Å; V389-D391 PolarHBondContact O-N 2.83Å |
| 392 | L | 94.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -90.9 | -28.9 | 178.7 | -61.7 | 174.2 | 0 | 0 | 0 | 113.1 | L329 Y353 A388 G394 R395 A404 | L329-L392 HydrophobicContact CD1-CD1 3.97Å; L329-L392 HydrophobicContact CD2-CB 4.21Å; L329-L392 HydrophobicContact CD2-CD1 3.93Å; Y353-L392 HydrophobicContact CE2-CD1 4.07Å; Y353-L392 HydrophobicContact CE2-CD2 4.24Å; Y353-L392 HydrophobicContact CE2-CG 4.07Å; Y353-L392 WeakPolarHBondContact OH-CD2 3.49Å; A388-L392 HydrophobicContact CB-CD1 4.19Å; A388-L392 WeakPolarHBondContact O-CB 3.37Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 3.24Å; L392-G394 PolarHBondContact O-N 3.16Å; L392-R395 VanDerWaalsContact O-CB 3.29Å; L392-R395 WeakPolarHBondContact O-CB 3.16Å; L392-R395 PolarHBondContact O-N 3.28Å; L392-R395 VanDerWaalsContact O-N 3.08Å; L392-A404 HydrophobicContact CB-CB 4.19Å |
| 393 | N | 94.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 121.1 | -179.9 | -169.6 | 45 | 0 | 0 | 0 | 111.5 | I319 V389 R395 A404 | I319-N393 VanDerWaalsContact CD1-ND2 3.32Å; I319-N393 WeakPolarHBondContact CD1-ND2 3.46Å; V389-N393 WeakPolarHBondContact O-CB 3.44Å; V389-N393 PolarHBondContact O-N 3.42Å; N393-R395 VanDerWaalsContact C-N 3.28Å; N393-A404 HydrophobicContact CB-CB 3.89Å; N393-A404 PolarHBondContact OD1-N 3.41Å |
| 394 | G | 93.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L392 V402 | L392-G394 PolarHBondContact O-N 3.16Å; G394-V402 PolarHBondContact N-O 3.35Å |
| 395 | R | 94.1 | Very high | 94 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | trans | -76.9 | 153.9 | 173.9 | -169 | 168.1 | 171.7 | -151.2 | -9.3 | 110.5 | E349 L392 N393 V402 | E349-R395 IonicContact OE1-CZ 2.95Å; E349-R395 IonicContact OE1-NH1 2.6Å; E349-R395 PolarHBondContact OE1-NH1 3.47Å; E349-R395 IonicContact OE1-NH2 3.79Å; E349-R395 PolarHBondContact OE1-NH2 2.94Å; L392-R395 VanDerWaalsContact O-CB 3.29Å; L392-R395 WeakPolarHBondContact O-CB 3.16Å; L392-R395 PolarHBondContact O-N 3.28Å; L392-R395 VanDerWaalsContact O-N 3.08Å; N393-R395 VanDerWaalsContact C-N 3.28Å; R395-V402 WeakPolarHBondContact O-CG2 3.1Å; R395-V402 PolarHBondContact O-N 3.18Å | ||
| 396 | Y | 92.8 | Very high | 94 | Very high | 166 Ų | 166 | 54.6 Ų | 54.6 | 65% | 0.651 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.9 | 177.9 | -69.3 | -95.8 | 0 | 0 | 0 | 111.8 | R400 V401 | Y396-R400 CarbonylContact C-O 3.57Å; Y396-R400 VanDerWaalsContact CA-O 3.26Å; Y396-R400 WeakPolarHBondContact CA-O 3.41Å; Y396-V401 HydrophobicContact CD1-CG2 3.89Å; Y396-V401 HydrophobicContact CE1-CG2 3.42Å; Y396-V401 VanDerWaalsContact CE1-CG2 3.42Å |
| 397 | F | 92.1 | Very high | 93.9 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.9 | 171.5 | -172.5 | -85.1 | 0 | 0 | 0 | 108.2 | M332 V333 L342 G399 R400 V402 | M332-F397 HydrophobicContact CB-CD1 4.35Å; M332-F397 HydrophobicContact CE-CD1 4.29Å; M332-F397 HydrophobicContact CE-CD2 3.88Å; M332-F397 HydrophobicContact CE-CE1 4.35Å; M332-F397 HydrophobicContact CE-CE2 3.95Å; M332-F397 HydrophobicContact CE-CG 4.06Å; M332-F397 HydrophobicContact CE-CZ 4.18Å; M332-F397 WeakPolarHBondContact O-CD1 3.47Å; V333-F397 HydrophobicContact CG1-CD1 4.48Å; V333-F397 HydrophobicContact CG1-CE1 3.98Å; L342-F397 HydrophobicContact CD1-CE1 4.18Å; L342-F397 HydrophobicContact CD1-CZ 3.96Å; F397-G399 PolarHBondContact O-N 3.14Å; F397-R400 PolarHBondContact N-O 2.89Å; F397-R400 WeakPolarHBondContact O-CA 3.4Å; F397-R400 WeakPolarHBondContact O-CB 3.5Å; F397-R400 PolarHBondContact O-N 2.72Å; F397-V402 HydrophobicContact CB-CG2 3.74Å |
| 398 | G | 88.2 | Confident | 93.8 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 81% | 0.814 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 18.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R400 | G398-R400 VanDerWaalsContact C-N 3.28Å; G398-R400 PolarHBondContact O-N 3.02Å |
| 399 | G | 92 | Very high | 93.5 | Very high | 69 Ų | 69 | 52 Ų | 52 | 71% | 0.711 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -8.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F397 | F397-G399 PolarHBondContact O-N 3.14Š|
| 400 | R | 93.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 57 Ų | 57 | 21% | 0.208 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 157.8 | 171.5 | -58.6 | 172.9 | 179.4 | -100.3 | 2.7 | 110.6 | N331 M332 G334 E337 D369 Y396 F397 G398 | N331-R400 VanDerWaalsContact O-CB 3.31Å; N331-R400 WeakPolarHBondContact O-CB 3.31Å; M332-R400 WeakPolarHBondContact O-CD 3.33Å; G334-R400 VanDerWaalsContact CA-NH2 3.29Å; G334-R400 VanDerWaalsContact N-CZ 3.35Å; E337-R400 IonicContact OE1-NH2 3.66Å; E337-R400 IonicContact OE2-CZ 3.45Å; E337-R400 IonicContact OE2-NE 3.46Å; E337-R400 PolarHBondContact OE2-NE 3.06Å; E337-R400 IonicContact OE2-NH2 2.79Å; E337-R400 PolarHBondContact OE2-NH2 3.27Å; D369-R400 IonicContact OD2-CZ 3.22Å; D369-R400 VanDerWaalsContact OD2-CZ 3.22Å; D369-R400 IonicContact OD2-NH1 2.72Å; D369-R400 PolarHBondContact OD2-NH1 2.99Å; D369-R400 IonicContact OD2-NH2 2.81Å; D369-R400 PolarHBondContact OD2-NH2 2.9Å; Y396-R400 CarbonylContact C-O 3.57Å; Y396-R400 VanDerWaalsContact CA-O 3.26Å; Y396-R400 WeakPolarHBondContact CA-O 3.41Å; F397-R400 PolarHBondContact N-O 2.89Å; F397-R400 WeakPolarHBondContact O-CA 3.4Å; F397-R400 WeakPolarHBondContact O-CB 3.5Å; F397-R400 PolarHBondContact O-N 2.72Å; G398-R400 VanDerWaalsContact C-N 3.28Å; G398-R400 PolarHBondContact O-N 3.02Å |
| 401 | V | 95 | Very high | 93.1 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.7 | 175.2 | 180 | 0 | 0 | 0 | 0 | 109.3 | N331 Y396 | N331-V401 PolarHBondContact ND2-O 3.42Å; Y396-V401 HydrophobicContact CD1-CG2 3.89Å; Y396-V401 HydrophobicContact CE1-CG2 3.42Å; Y396-V401 VanDerWaalsContact CE1-CG2 3.42Å |
| 402 | V | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -69.9 | 129.4 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | L329 M332 G394 R395 F397 | L329-V402 HydrophobicContact CB-CG1 4.27Å; L329-V402 HydrophobicContact CD2-CG1 4.23Å; M332-V402 HydrophobicContact CG-CB 4.27Å; M332-V402 HydrophobicContact CG-CG1 3.82Å; M332-V402 HydrophobicContact CG-CG2 3.51Å; M332-V402 HydrophobicContact SD-CG1 4.35Å; G394-V402 PolarHBondContact N-O 3.35Å; R395-V402 WeakPolarHBondContact O-CG2 3.1Å; R395-V402 PolarHBondContact O-N 3.18Å; F397-V402 HydrophobicContact CB-CG2 3.74Å | ||
| 403 | K | 94.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 59.6 Ų | 59.6 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.9 | 170.4 | -58.5 | 171.9 | -172 | 168 | 0 | 107.6 | R330 D370 | R330-K403 HydrophobicContact CB-CB 4.29Å; R330-K403 PolarHBondContact N-O 2.74Å; R330-K403 PolarHBondContact O-N 3.26Å; D370-K403 IonicContact OD2-NZ 2.6Å; D370-K403 PolarHBondContact OD2-NZ 3.47Å |
| 404 | A | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L328 L329 L392 N393 | L328-A404 WeakPolarHBondContact O-CA 3.19Å; L329-A404 HydrophobicContact CD2-CB 3.41Å; L329-A404 VanDerWaalsContact CD2-CB 3.41Å; L392-A404 HydrophobicContact CB-CB 4.19Å; N393-A404 HydrophobicContact CB-CB 3.89Å; N393-A404 PolarHBondContact OD1-N 3.41Å |
| 405 | C | 93.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 14% | 0.142 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 167.9 | -178.6 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | V327 L328 | V327-C405 WeakPolarHBondContact CA-O 3.21Å; L328-C405 PolarHBondContact N-O 3.43Å; L328-C405 PolarHBondContact O-N 3.05Å |
| 406 | F | 95.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 144.8 | 172 | -60.2 | -78.6 | 0 | 0 | 0 | 110.7 | I319 L320 P323 T324 V326 A385 I386 V389 | I319-F406 HydrophobicContact CG2-CD2 4.35Å; I319-F406 HydrophobicContact CG2-CE2 4.3Å; I319-F406 WeakPolarHBondContact O-CD2 3.43Å; I319-F406 WeakPolarHBondContact O-CE2 3.49Å; L320-F406 HydrophobicContact CD2-CE2 4.29Å; L320-F406 HydrophobicContact CD2-CZ 4.45Å; P323-F406 HydrophobicContact CB-CD1 4.46Å; P323-F406 HydrophobicContact CB-CE1 4.03Å; P323-F406 HydrophobicContact CB-CE2 4.12Å; P323-F406 HydrophobicContact CB-CZ 3.85Å; T324-F406 HydrophobicContact CG2-CB 4.4Å; V326-F406 WeakPolarHBondContact O-CA 3.28Å; A385-F406 HydrophobicContact CB-CE1 4.17Å; I386-F406 HydrophobicContact CB-CZ 4.3Å; I386-F406 HydrophobicContact CG1-CE1 3.98Å; I386-F406 HydrophobicContact CG1-CZ 3.76Å; V389-F406 HydrophobicContact CB-CE1 4.36Å; V389-F406 HydrophobicContact CB-CE2 4.45Å; V389-F406 HydrophobicContact CB-CZ 4.04Å; V389-F406 HydrophobicContact CG1-CE2 4.17Å; V389-F406 HydrophobicContact CG1-CZ 4.24Å; V389-F406 HydrophobicContact CG2-CD1 4.1Å; V389-F406 HydrophobicContact CG2-CE1 3.81Å; V389-F406 HydrophobicContact CG2-CE2 4.34Å; V389-F406 HydrophobicContact CG2-CG 4.49Å; V389-F406 HydrophobicContact CG2-CZ 3.93Å |
| 407 | Y | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 151.8 | 175.8 | -159.5 | -102.9 | 0 | 0 | 0 | 112.1 | T324 V326 L328 F376 L409 K411 F412 D416 V421 | T324-Y407 VanDerWaalsContact CB-O 3.29Å; T324-Y407 WeakPolarHBondContact CB-O 3.46Å; T324-Y407 VanDerWaalsContact CG2-O 3.31Å; T324-Y407 WeakPolarHBondContact CG2-O 3.19Å; T324-Y407 PolarHBondContact OG1-O 3.07Å; V326-Y407 PolarHBondContact O-N 3.36Å; L328-Y407 HydrophobicContact CB-CD2 4.35Å; L328-Y407 HydrophobicContact CD2-CD2 3.89Å; L328-Y407 HydrophobicContact CD2-CE2 4.36Å; F376-Y407 HydrophobicContact CD1-CD1 4.09Å; F376-Y407 HydrophobicContact CD1-CD2 4.46Å; F376-Y407 HydrophobicContact CD1-CG 4.01Å; F376-Y407 AromaticContact CE1-CD1 3.81Å; F376-Y407 HydrophobicContact CE1-CD1 3.81Å; F376-Y407 AromaticContact CE1-CD2 3.73Å; F376-Y407 HydrophobicContact CE1-CD2 3.73Å; F376-Y407 AromaticContact CE1-CE1 3.98Å; F376-Y407 HydrophobicContact CE1-CE1 3.98Å; F376-Y407 AromaticContact CE1-CE2 3.92Å; F376-Y407 HydrophobicContact CE1-CE2 3.92Å; F376-Y407 AromaticContact CE1-CG 3.68Å; F376-Y407 HydrophobicContact CE1-CG 3.68Å; Y407-L409 PolarHBondContact O-N 2.63Å; Y407-K411 HydrophobicContact CE1-CB 3.77Å; Y407-F412 HydrophobicContact CD1-CB 4.07Å; Y407-F412 HydrophobicContact CE1-CB 4.45Å; Y407-D416 PolarHBondContact OH-O 3.29Å; Y407-V421 HydrophobicContact CD2-CG2 3.69Å; Y407-V421 HydrophobicContact CE2-CG2 3.5Å; Y407-V421 VanDerWaalsContact CE2-CG2 3.5Å |
| 408 | N | 92.8 | Very high | 91.3 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | trans | -70.2 | 125.3 | 179 | -171.9 | -66.5 | 0 | 0 | 0 | 110.8 | D410 K411 F412 | N408-D410 VanDerWaalsContact C-N 3.35Å; N408-D410 PolarHBondContact O-N 2.81Å; N408-D410 PolarHBondContact OD1-N 2.72Å; N408-K411 HydrophobicContact CB-CB 4.22Å; N408-K411 HydrophobicContact CB-CD 4.18Å; N408-K411 HydrophobicContact CB-CG 4.16Å; N408-K411 PolarHBondContact O-N 2.78Å; N408-K411 PolarHBondContact OD1-N 2.79Å; N408-F412 PolarHBondContact O-N 2.89Å | ||
| 409 | L | 90.1 | Very high | 90.7 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -32.8 | -174.4 | 177.7 | 133.6 | 0 | 0 | 0 | 113.1 | K325 V326 Y407 R413 | K325-L409 HydrophobicContact CB-CD1 3.92Å; K325-L409 HydrophobicContact CD-CD1 4.24Å; K325-L409 HydrophobicContact CG-CD1 4.3Å; V326-L409 HydrophobicContact CG2-CB 4.25Å; V326-L409 HydrophobicContact CG2-CD1 4.29Å; V326-L409 HydrophobicContact CG2-CG 4.45Å; Y407-L409 PolarHBondContact O-N 2.63Å; L409-R413 VanDerWaalsContact O-CG 3.27Å; L409-R413 WeakPolarHBondContact O-CG 3.41Å; L409-R413 PolarHBondContact O-N 2.98Å; L409-R413 VanDerWaalsContact O-N 3.13Å |
| 410 | D | 90.8 | Very high | 89.6 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -73.7 | -38 | 179.2 | -60.1 | -43.7 | 0 | 0 | 0 | 111 | N408 R413 V414 | N408-D410 VanDerWaalsContact C-N 3.35Å; N408-D410 PolarHBondContact O-N 2.81Å; N408-D410 PolarHBondContact OD1-N 2.72Å; D410-R413 PolarHBondContact O-N 2.79Å; D410-V414 PolarHBondContact O-N 3.32Å |
| 411 | K | 89.5 | Confident | 88.1 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 27% | 0.265 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 174 | -65.4 | -173.8 | -178.8 | 174.5 | 0 | 112.2 | Y407 N408 R413 V414 L415 D416 E419 | Y407-K411 HydrophobicContact CE1-CB 3.77Å; N408-K411 HydrophobicContact CB-CB 4.22Å; N408-K411 HydrophobicContact CB-CD 4.18Å; N408-K411 HydrophobicContact CB-CG 4.16Å; N408-K411 PolarHBondContact O-N 2.78Å; N408-K411 PolarHBondContact OD1-N 2.79Å; K411-R413 VanDerWaalsContact C-N 3.26Å; K411-R413 PolarHBondContact O-N 3.46Å; K411-V414 VanDerWaalsContact O-CG2 3.29Å; K411-V414 WeakPolarHBondContact O-CG2 3.33Å; K411-V414 PolarHBondContact O-N 3.33Å; K411-L415 PolarHBondContact O-N 2.97Å; K411-L415 VanDerWaalsContact O-N 3.16Å; K411-D416 HydrophobicContact CB-CB 4.31Å; K411-D416 PolarHBondContact O-N 2.97Å; K411-E419 WeakPolarHBondContact CD-OE2 3.2Å; K411-E419 WeakPolarHBondContact CE-OE2 3.37Å; K411-E419 IonicContact NZ-OE1 2.61Å; K411-E419 PolarHBondContact NZ-OE1 3.28Å; K411-E419 IonicContact NZ-OE2 3.23Å; K411-E419 PolarHBondContact NZ-OE2 2.99Å |
| 412 | F | 92.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -39.8 | 173.1 | -178.1 | -111.7 | 0 | 0 | 0 | 112.8 | V326 K358 V360 F376 E378 Y407 N408 L415 L417 | V326-F412 HydrophobicContact CG1-CB 4.23Å; V326-F412 HydrophobicContact CG1-CD1 4.23Å; V326-F412 HydrophobicContact CG1-CD2 3.98Å; V326-F412 HydrophobicContact CG1-CE2 4.42Å; V326-F412 HydrophobicContact CG1-CG 3.88Å; V326-F412 HydrophobicContact CG2-CB 4.13Å; V326-F412 HydrophobicContact CG2-CD1 3.83Å; V326-F412 HydrophobicContact CG2-CG 4.05Å; K358-F412 HydrophobicContact CB-CZ 4.45Å; K358-F412 HydrophobicContact CD-CE1 4.09Å; K358-F412 HydrophobicContact CD-CZ 3.95Å; K358-F412 HydrophobicContact CG-CZ 4.36Å; V360-F412 HydrophobicContact CB-CE2 4.15Å; V360-F412 HydrophobicContact CG2-CE2 3.83Å; V360-F412 HydrophobicContact CG2-CZ 3.8Å; F376-F412 HydrophobicContact CB-CD2 3.93Å; F376-F412 HydrophobicContact CB-CE2 3.45Å; F376-F412 VanDerWaalsContact CB-CE2 3.45Å; F376-F412 HydrophobicContact CB-CZ 4.37Å; F376-F412 HydrophobicContact CD1-CD2 4.14Å; F376-F412 HydrophobicContact CG-CD2 4.18Å; F376-F412 HydrophobicContact CG-CE2 4.11Å; E378-F412 HydrophobicContact CB-CD1 4.43Å; E378-F412 HydrophobicContact CB-CE1 3.72Å; E378-F412 HydrophobicContact CB-CZ 4.33Å; E378-F412 HydrophobicContact CG-CE1 4.42Å; Y407-F412 HydrophobicContact CD1-CB 4.07Å; Y407-F412 HydrophobicContact CE1-CB 4.45Å; N408-F412 PolarHBondContact O-N 2.89Å; F412-L415 PolarHBondContact O-N 2.84Å; F412-L417 HydrophobicContact CD2-CD2 3.84Å; F412-L417 HydrophobicContact CE2-CD2 4.45Å |
| 413 | R | 90.8 | Very high | 87.3 | Confident | 164 Ų | 164 | 63.8 Ų | 63.8 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.1 | -34.1 | 179.2 | -78.8 | 171.1 | 170.2 | -168.9 | -4.9 | 113.8 | L409 D410 K411 L415 | L409-R413 VanDerWaalsContact O-CG 3.27Å; L409-R413 WeakPolarHBondContact O-CG 3.41Å; L409-R413 PolarHBondContact O-N 2.98Å; L409-R413 VanDerWaalsContact O-N 3.13Å; D410-R413 PolarHBondContact O-N 2.79Å; K411-R413 VanDerWaalsContact C-N 3.26Å; K411-R413 PolarHBondContact O-N 3.46Å; R413-L415 VanDerWaalsContact C-N 3.28Å |
| 414 | V | 92.3 | Very high | 87 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.6 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | D410 K411 D416 | D410-V414 PolarHBondContact O-N 3.32Å; K411-V414 VanDerWaalsContact O-CG2 3.29Å; K411-V414 WeakPolarHBondContact O-CG2 3.33Å; K411-V414 PolarHBondContact O-N 3.33Å; V414-D416 HydrophobicContact CG2-CB 3.97Å; V414-D416 PolarHBondContact O-N 3.35Å |
| 415 | L | 87.7 | Confident | 86.5 | Confident | 106 Ų | 106 | 66.5 Ų | 66.5 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 27.1 | -175.4 | -54.5 | 173.5 | 0 | 0 | 0 | 113.7 | K411 F412 R413 L417 | K411-L415 PolarHBondContact O-N 2.97Å; K411-L415 VanDerWaalsContact O-N 3.16Å; F412-L415 PolarHBondContact O-N 2.84Å; R413-L415 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.39Å |
| 416 | D | 89.9 | Confident | 86.1 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | trans | -77.2 | 99.4 | 161.3 | -179.1 | 12.5 | 0 | 0 | 0 | 107.3 | Y407 K411 V414 | Y407-D416 PolarHBondContact OH-O 3.29Å; K411-D416 HydrophobicContact CB-CB 4.31Å; K411-D416 PolarHBondContact O-N 2.97Å; V414-D416 HydrophobicContact CG2-CB 3.97Å; V414-D416 PolarHBondContact O-N 3.35Å | ||
| 417 | L | 86.1 | Confident | 85.4 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | trans | -115.9 | -1.7 | -174.6 | -57.2 | -178.4 | 0 | 0 | 0 | 112.5 | V360 F362 R374 F376 F412 L415 | V360-L417 HydrophobicContact CG1-CD1 3.92Å; F362-L417 HydrophobicContact CB-CB 4.37Å; F362-L417 HydrophobicContact CB-CD1 3.89Å; F362-L417 HydrophobicContact CD1-CB 3.59Å; F362-L417 HydrophobicContact CD1-CD1 4.48Å; F362-L417 HydrophobicContact CD2-CD1 4.27Å; F362-L417 HydrophobicContact CE1-CB 3.96Å; F362-L417 HydrophobicContact CG-CB 3.97Å; F362-L417 HydrophobicContact CG-CD1 3.98Å; R374-L417 PolarHBondContact NH1-O 3.05Å; F376-L417 HydrophobicContact CD1-CD2 4.17Å; F376-L417 HydrophobicContact CD2-CD1 4.28Å; F376-L417 HydrophobicContact CD2-CD2 4.09Å; F376-L417 HydrophobicContact CE1-CD2 3.94Å; F376-L417 HydrophobicContact CE2-CB 3.78Å; F376-L417 HydrophobicContact CE2-CD1 4.1Å; F376-L417 HydrophobicContact CE2-CD2 3.87Å; F376-L417 HydrophobicContact CE2-CG 4.11Å; F376-L417 HydrophobicContact CG-CD2 4.24Å; F376-L417 HydrophobicContact CZ-CB 3.75Å; F376-L417 HydrophobicContact CZ-CD2 3.79Å; F376-L417 HydrophobicContact CZ-CG 4.25Å; F412-L417 HydrophobicContact CD2-CD2 3.84Å; F412-L417 HydrophobicContact CE2-CD2 4.45Å; L415-L417 PolarHBondContact O-N 3.39Å | ||
| 418 | G | 78.4 | Confident | 84.8 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | trans | -87.4 | -24.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R374 | R374-G418 PolarHBondContact NH1-O 3.37Å; R374-G418 PolarHBondContact NH2-O 3.19Å; R374-G418 VanDerWaalsContact NH2-O 3.09Å | ||
| 419 | E | 76.2 | Confident | 84.2 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -55.4 | 139.6 | -175.4 | -171.8 | 178.1 | -122.3 | 0 | 0 | 113.1 | R374 K411 V421 | R374-E419 PolarHBondContact NH1-O 3.33Å; K411-E419 WeakPolarHBondContact CD-OE2 3.2Å; K411-E419 WeakPolarHBondContact CE-OE2 3.37Å; K411-E419 IonicContact NZ-OE1 2.61Å; K411-E419 PolarHBondContact NZ-OE1 3.28Å; K411-E419 IonicContact NZ-OE2 3.23Å; K411-E419 PolarHBondContact NZ-OE2 2.99Å; E419-V421 WeakPolarHBondContact O-CG2 3.43Å |
| 420 | Q | 69.3 | Low | 83.7 | Confident | 143 Ų | 143 | 82 Ų | 82 | 67% | 0.668 | 43% | 0.426 | S | S | * | . | trans | -82.2 | 133.2 | 179.8 | -148.1 | 156.4 | 20.5 | 0 | 0 | 110.9 | E371 | E371-Q420 PolarHBondContact OE2-NE2 3.41Å; E371-Q420 VanDerWaalsContact OE2-NE2 3.16Å | ||
| 421 | V | 61.8 | Low | 83.1 | Confident | 96 Ų | 96 | 79.9 Ų | 79.9 | 58% | 0.582 | 41% | 0.414 | S | S | * | . | trans | -123.4 | 0 | -169.7 | -158.6 | 0 | 0 | 0 | 0 | 110 | L328 R330 Y407 E419 | L328-V421 HydrophobicContact CD2-CB 4.29Å; L328-V421 HydrophobicContact CD2-CG2 3.74Å; R330-V421 PolarHBondContact NH1-O 3.4Å; Y407-V421 HydrophobicContact CD2-CG2 3.69Å; Y407-V421 HydrophobicContact CE2-CG2 3.5Å; Y407-V421 VanDerWaalsContact CE2-CG2 3.5Å; E419-V421 WeakPolarHBondContact O-CG2 3.43Å |
Retrieved 421 of 421 residues in 376.1 ms
(Link to these results)