| 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 | 35.3 | Very low | 30.1 | Very low | 235 Ų | 235 | 148.3 Ų | 148.3 | 100% | 1.158 | 85% | 0.852 | S | S | * | * | 0 | 154.8 | 0 | -77.5 | 173.9 | 165.1 | 0 | 0 | 109.2 | |||||
| 2 | L | 31.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | trans | 49.4 | 100.7 | 151.2 | -66.1 | 164.3 | 0 | 0 | 0 | 121.6 | ||||
| 3 | R | 27.3 | Very low | 30.7 | Very low | 228 Ų | 228 | 148.2 Ų | 148.2 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | 55.8 | 111.5 | 116.6 | -97.7 | -171.5 | 176.1 | 176.1 | -1.5 | 123.3 | |||||
| 4 | S | 27.6 | Very low | 31.4 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 84% | 0.84 | S | S | * | * | 84.2 | 141.8 | 109.9 | 68.4 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 5 | S | 28.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | trans | 76.7 | 144.5 | 156 | -109.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 6 | S | 31.7 | Very low | 32 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | cis | -163.7 | 167.2 | -9.5 | 22.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | R | 30.2 | Very low | 32.4 | Very low | 245 Ų | 245 | 148.5 Ų | 148.5 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -2.1 | 152.6 | 156.1 | -74.5 | -176.6 | 168 | 171.9 | -4.7 | 120 | ||||
| 8 | A | 30.6 | Very low | 32.7 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | cis | -176.5 | 168.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | G | 28.8 | Very low | 33 | Very low | 84 Ų | 84 | 151 Ų | 151 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 107.4 | 148.4 | 158 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 10 | G | 27.6 | Very low | 33.6 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | 122.5 | 130.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 11 | E | 32.3 | Very low | 34 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -106 | 159.1 | -173 | -66.1 | -180 | 113.9 | 0 | 0 | 114.1 | ||||
| 12 | T | 34.1 | Very low | 34.4 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 47.9 | 111.4 | 153.9 | 53.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 13 | L | 33.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -163.9 | 166.4 | 146.3 | -97.5 | 169.7 | 0 | 0 | 0 | 106.2 | ||||
| 14 | P | 41.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -132 | 147.4 | 8.2 | 38.6 | -21.7 | 0 | 0 | 0 | 116.3 | ||||
| 15 | L | 34.6 | Very low | 36.9 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -155.8 | 73.3 | 151.7 | -151.4 | 83.1 | 0 | 0 | 0 | 113.5 | ||||
| 16 | C | 37.4 | Very low | 37.8 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | -143.1 | 87.5 | 173.9 | -166.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 17 | K | 38.9 | Very low | 38.8 | Very low | 210 Ų | 210 | 144.8 Ų | 144.8 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -160.2 | 33.3 | 166.6 | -122.5 | 169.5 | -171.5 | 176.4 | 0 | 115.4 | ||
| 18 | F | 37.3 | Very low | 39.9 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -134.9 | 3.1 | 178.7 | -139.7 | -97.9 | 0 | 0 | 0 | 115.8 | ||
| 19 | Q | 39.7 | Very low | 41 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | -96.7 | -3.6 | -162.6 | -145.1 | 161.9 | 0.6 | 0 | 0 | 115.4 | ||||
| 20 | S | 44.1 | Very low | 42.1 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -11.3 | -173.1 | 58.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 21 | K | 42.4 | Very low | 43.2 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -32.8 | 176 | -79.6 | -170.3 | 174.8 | -176.9 | 0 | 114 | ||
| 22 | L | 43.9 | Very low | 44 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -69.7 | -39.3 | -174.4 | -155.8 | 71.3 | 0 | 0 | 0 | 112.5 | R24 W25 G26 | L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.37Å; L22-W25 PolarHBondContact O-N 3.38Å; L22-W25 VanDerWaalsContact O-N 3.13Å; L22-G26 PolarHBondContact O-N 2.93Å |
| 23 | Q | 45.3 | Very low | 44.6 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.4 | -26.3 | -176.3 | -164.3 | 168.1 | 3.4 | 0 | 0 | 113.6 | L27 | Q23-L27 PolarHBondContact O-N 2.85Å |
| 24 | R | 44.9 | Very low | 45.4 | Very low | 205 Ų | 205 | 126 Ų | 126 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.4 | -26.4 | 176.1 | -131.1 | -178.8 | -169.9 | -167 | 1.5 | 113.2 | L22 V28 | L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.37Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å |
| 25 | W | 47.6 | Very low | 45.7 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -85.7 | -36.2 | 175 | -73.5 | 70.6 | 0 | 0 | 0 | 111.7 | L22 L27 V28 L29 | L22-W25 PolarHBondContact O-N 3.38Å; L22-W25 VanDerWaalsContact O-N 3.13Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-L27 PolarHBondContact O-N 2.96Å; W25-V28 PolarHBondContact O-N 3.35Å; W25-L29 PolarHBondContact O-N 3.22Å |
| 26 | G | 47.6 | Very low | 46 | Very low | 36 Ų | 36 | 124 Ų | 124 | 37% | 0.371 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -56.7 | -44.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L22 V28 L29 T30 | L22-G26 PolarHBondContact O-N 2.93Å; G26-V28 VanDerWaalsContact C-N 3.35Å; G26-V28 PolarHBondContact O-N 3.44Å; G26-L29 PolarHBondContact O-N 3.29Å; G26-T30 PolarHBondContact O-N 3.48Å; G26-T30 PolarHBondContact O-OG1 2.84Å |
| 27 | L | 53.4 | Low | 46.2 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.7 | -29.9 | 177.2 | -85.8 | 163 | 0 | 0 | 0 | 114.2 | Q23 W25 T30 L31 | Q23-L27 PolarHBondContact O-N 2.85Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-L27 PolarHBondContact O-N 2.96Å; L27-T30 PolarHBondContact O-OG1 3.27Å; L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 2.88Å |
| 28 | V | 53.7 | Low | 46.3 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -75 | -41.7 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | R24 W25 G26 T30 L31 C32 | R24-V28 WeakPolarHBondContact O-CG2 3.46Å; W25-V28 PolarHBondContact O-N 3.35Å; G26-V28 VanDerWaalsContact C-N 3.35Å; G26-V28 PolarHBondContact O-N 3.44Å; V28-T30 PolarHBondContact O-N 3.4Å; V28-L31 PolarHBondContact O-N 3.1Å; V28-C32 WeakPolarHBondContact O-CB 3.44Å; V28-C32 PolarHBondContact O-N 3.09Å; V28-C32 PolarHBondContact O-SG 2.88Å; V28-C32 VanDerWaalsContact O-SG 3.33Å |
| 29 | L | 52.4 | Low | 46.3 | Very low | 119 Ų | 119 | 122 Ų | 122 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.8 | -38.5 | 175.5 | -84.8 | 159.5 | 0 | 0 | 0 | 112.7 | W25 G26 C32 A33 | W25-L29 PolarHBondContact O-N 3.22Å; G26-L29 PolarHBondContact O-N 3.29Å; L29-C32 PolarHBondContact O-N 2.89Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 2.91Å |
| 30 | T | 53.1 | Low | 46.2 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 53% | 0.528 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -33.7 | 175 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | G26 L27 V28 A34 | G26-T30 PolarHBondContact O-N 3.48Å; G26-T30 PolarHBondContact O-OG1 2.84Å; L27-T30 PolarHBondContact O-OG1 3.27Å; V28-T30 PolarHBondContact O-N 3.4Å; T30-A34 WeakPolarHBondContact O-CB 3.32Å; T30-A34 PolarHBondContact O-N 2.89Å |
| 31 | L | 50.8 | Low | 46.2 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 62% | 0.618 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.8 | -45.2 | 169.9 | -104.9 | 77 | 0 | 0 | 0 | 111.8 | L27 V28 A33 A34 V35 | L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 2.88Å; V28-L31 PolarHBondContact O-N 3.1Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 2.8Å; L31-A34 PolarHBondContact O-N 3.14Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 3.49Å |
| 32 | C | 47.4 | Very low | 46.5 | Very low | 67 Ų | 67 | 117.3 Ų | 117.3 | 45% | 0.453 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 176.6 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | V28 L29 V35 L36 | V28-C32 WeakPolarHBondContact O-CB 3.44Å; V28-C32 PolarHBondContact O-N 3.09Å; V28-C32 PolarHBondContact O-SG 2.88Å; V28-C32 VanDerWaalsContact O-SG 3.33Å; L29-C32 PolarHBondContact O-N 2.89Å; C32-V35 PolarHBondContact O-N 2.88Å; C32-L36 WeakPolarHBondContact O-CG 3.43Å; C32-L36 PolarHBondContact O-N 2.87Å; C32-L36 VanDerWaalsContact O-N 3.07Å |
| 33 | A | 48.2 | Very low | 47.2 | Very low | 48 Ų | 48 | 111 Ų | 111 | 40% | 0.397 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L29 L31 L36 W37 | L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 2.91Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 2.8Å; A33-L36 PolarHBondContact O-N 2.99Å; A33-W37 PolarHBondContact O-N 2.82Å |
| 34 | A | 48.9 | Very low | 48.5 | Very low | 65 Ų | 65 | 107.1 Ų | 107.1 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.5 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T30 L31 L36 W37 | T30-A34 WeakPolarHBondContact O-CB 3.32Å; T30-A34 PolarHBondContact O-N 2.89Å; L31-A34 PolarHBondContact O-N 3.14Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-W37 PolarHBondContact O-N 2.85Å; A34-W37 VanDerWaalsContact O-N 3.14Å |
| 35 | V | 47.9 | Very low | 50.3 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67 | -34.5 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L31 C32 W37 L38 | L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 3.49Å; C32-V35 PolarHBondContact O-N 2.88Å; V35-W37 PolarHBondContact O-N 2.89Å; V35-L38 PolarHBondContact O-N 2.86Å |
| 36 | L | 42 | Very low | 52.1 | Low | 145 Ų | 145 | 94.8 Ų | 94.8 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 1.6 | 172.5 | -69 | 169.3 | 0 | 0 | 0 | 114.1 | C32 A33 A34 | C32-L36 WeakPolarHBondContact O-CG 3.43Å; C32-L36 PolarHBondContact O-N 2.87Å; C32-L36 VanDerWaalsContact O-N 3.07Å; A33-L36 PolarHBondContact O-N 2.99Å; A34-L36 VanDerWaalsContact C-N 3.33Å |
| 37 | W | 40 | Very low | 54 | Low | 227 Ų | 227 | 96 Ų | 96 | 86% | 0.86 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 16.2 | 174.6 | -81.8 | 58.6 | 0 | 0 | 0 | 112.5 | A33 A34 V35 | A33-W37 PolarHBondContact O-N 2.82Å; A34-W37 PolarHBondContact O-N 2.85Å; A34-W37 VanDerWaalsContact O-N 3.14Å; V35-W37 PolarHBondContact O-N 2.89Å |
| 38 | L | 41.1 | Very low | 55.6 | Low | 123 Ų | 123 | 92.9 Ų | 92.9 | 64% | 0.644 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -65.1 | 133.5 | 155.9 | -72.1 | 167.9 | 0 | 0 | 0 | 108.5 | V35 E40 | V35-L38 PolarHBondContact O-N 2.86Å; L38-E40 PolarHBondContact O-N 2.82Å |
| 39 | P | 38.8 | Very low | 57 | Low | 119 Ų | 119 | 97 Ų | 97 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | trans | -63.9 | 122.1 | 171.3 | 27.1 | -32.6 | 0 | 0 | 0 | 108.7 | A41 | P39-A41 PolarHBondContact O-N 3.14Š| ||
| 40 | E | 36.8 | Very low | 58.4 | Low | 177 Ų | 177 | 97.2 Ų | 97.2 | 83% | 0.827 | 55% | 0.552 | S | S | * | * | trans | -63.1 | 100.6 | 175.1 | -69.7 | -173.8 | 133.5 | 0 | 0 | 109.5 | L38 S42 | L38-E40 PolarHBondContact O-N 2.82Å; E40-S42 VanDerWaalsContact C-N 3.33Å; E40-S42 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-OG 3.37Å | ||
| 41 | A | 43.4 | Very low | 59.8 | Low | 71 Ų | 71 | 94.4 Ų | 94.4 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | trans | -61.1 | 96.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | P39 G43 | P39-A41 PolarHBondContact O-N 3.14Å; A41-G43 PolarHBondContact O-N 2.89Å | ||
| 42 | S | 49.4 | Very low | 61.8 | Low | 82 Ų | 82 | 89 Ų | 89 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | trans | -80.7 | 29.6 | -153.9 | -23.2 | 0 | 0 | 0 | 0 | 114 | E40 A68 | E40-S42 VanDerWaalsContact C-N 3.33Å; E40-S42 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-OG 3.37Å; S42-A68 WeakPolarHBondContact O-CB 3.42Å | ||
| 43 | G | 58.4 | Low | 64 | Low | 14 Ų | 14 | 91.8 Ų | 91.8 | 14% | 0.144 | 52% | 0.516 | C | S | . | . | trans | -118.5 | 120.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A41 T71 | A41-G43 PolarHBondContact O-N 2.89Å; G43-T71 WeakPolarHBondContact O-CG2 3.4Å; G43-T71 PolarHBondContact O-OG1 2.83Å | ||
| 44 | S | 71.9 | Confident | 66.2 | Low | 60 Ų | 60 | 91.2 Ų | 91.2 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 143.8 | 171.6 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | P70 T71 | S44-P70 CarbonylContact O-C 3.52Å; S44-P70 WeakPolarHBondContact O-CA 3.29Å; S44-P70 WeakPolarHBondContact O-CB 3.41Å; S44-T71 PolarHBondContact O-N 3.05Å; S44-T71 PolarHBondContact O-OG1 2.78Å |
| 45 | T | 82.7 | Confident | 68.3 | Low | 107 Ų | 107 | 90.8 Ų | 90.8 | 66% | 0.656 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -60.6 | 141.5 | 173.1 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | N47 T71 | T45-N47 PolarHBondContact O-N 2.78Å; T45-T71 WeakPolarHBondContact CA-OG1 3.42Å |
| 46 | L | 87.1 | Confident | 70.4 | Confident | 31 Ų | 31 | 91.4 Ų | 91.4 | 16% | 0.162 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -61 | 126.6 | 179.4 | -177 | 72.3 | 0 | 0 | 0 | 110.4 | C52 V59 P70 T71 L73 P74 | L46-C52 HydrophobicContact CD1-CB 3.86Å; L46-C52 WeakPolarHBondContact CD1-SG 3.44Å; L46-V59 HydrophobicContact CD1-CG1 4.05Å; L46-V59 HydrophobicContact CD2-CG1 4.35Å; L46-P70 HydrophobicContact CB-CB 4.24Å; L46-P70 HydrophobicContact CD1-CB 4Å; L46-P70 HydrophobicContact CD1-CG 4.46Å; L46-T71 WeakPolarHBondContact CB-O 3.42Å; L46-T71 PolarHBondContact N-O 3.05Å; L46-L73 HydrophobicContact CD2-CD2 4.43Å; L46-P74 HydrophobicContact CD2-CG 4.11Å |
| 47 | N | 86.9 | Confident | 72.9 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 33% | 0.326 | 49% | 0.494 | S | S | . | . | trans | -131.5 | 103.3 | 175.5 | -173.4 | -36.2 | 0 | 0 | 0 | 109.8 | T45 H49 I50 T51 C52 | T45-N47 PolarHBondContact O-N 2.78Å; N47-H49 PolarHBondContact O-N 2.95Å; N47-H49 PolarHBondContact OD1-N 2.84Å; N47-I50 HydrophobicContact CB-CB 4.24Å; N47-I50 PolarHBondContact O-N 2.87Å; N47-I50 PolarHBondContact OD1-N 2.65Å; N47-T51 PolarHBondContact N-OG1 3.15Å; N47-T51 PolarHBondContact O-N 3.44Å; N47-T51 PolarHBondContact O-OG1 3.01Å; N47-C52 PolarHBondContact O-N 2.92Å; N47-C52 VanDerWaalsContact O-N 3.07Å | ||
| 48 | C | 87.6 | Confident | 75.6 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 28% | 0.284 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 6.3 | -178.3 | -64.3 | 0 | 0 | 0 | 0 | 116.1 | C52 C54 | C48-C52 CarbonylContact C-O 3.57Å; C48-C52 WeakPolarHBondContact CA-O 3.37Å; C48-C52 VanDerWaalsContact O-O 3.13Å; C48-C54 VanDerWaalsContact CA-SG 3.55Å; C48-C54 HydrophobicContact CB-CB 3.54Å; C48-C54 WeakPolarHBondContact CB-SG 3.49Å; C48-C54 WeakPolarHBondContact SG-CB 3.34Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.86Å |
| 49 | H | 82 | Confident | 78.3 | Confident | 178 Ų | 178 | 74.3 Ų | 74.3 | 82% | 0.824 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | -9 | 173.2 | -60.4 | -55.3 | 0 | 0 | 0 | 114 | N47 C52 | N47-H49 PolarHBondContact O-N 2.95Å; N47-H49 PolarHBondContact OD1-N 2.84Å; H49-C52 PolarHBondContact N-O 3.35Å |
| 50 | I | 81.9 | Confident | 81 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -43.9 | -172.5 | -56.1 | -176.1 | 0 | 0 | 0 | 112.4 | N47 M64 | N47-I50 HydrophobicContact CB-CB 4.24Å; N47-I50 PolarHBondContact O-N 2.87Å; N47-I50 PolarHBondContact OD1-N 2.65Å; I50-M64 WeakPolarHBondContact O-CE 3.35Å |
| 51 | T | 82.6 | Confident | 83.9 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 17% | 0.166 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -21.8 | -177.8 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | N47 M64 | N47-T51 PolarHBondContact N-OG1 3.15Å; N47-T51 PolarHBondContact O-N 3.44Å; N47-T51 PolarHBondContact O-OG1 3.01Å; T51-M64 WeakPolarHBondContact O-CG 3.48Å |
| 52 | C | 92.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | trans | -149.3 | 168 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | L46 N47 C48 H49 V59 S60 C61 | L46-C52 HydrophobicContact CD1-CB 3.86Å; L46-C52 WeakPolarHBondContact CD1-SG 3.44Å; N47-C52 PolarHBondContact O-N 2.92Å; N47-C52 VanDerWaalsContact O-N 3.07Å; C48-C52 CarbonylContact C-O 3.57Å; C48-C52 WeakPolarHBondContact CA-O 3.37Å; C48-C52 VanDerWaalsContact O-O 3.13Å; H49-C52 PolarHBondContact N-O 3.35Å; C52-V59 HydrophobicContact CB-CG1 4.28Å; C52-S60 CarbonylContact C-O 3.1Å; C52-S60 WeakPolarHBondContact CA-O 3.47Å; C52-S60 WeakPolarHBondContact CB-O 3.41Å; C52-C61 HydrophobicContact CB-CB 3.95Å; C52-C61 WeakPolarHBondContact CB-SG 3.48Å; C52-C61 WeakPolarHBondContact SG-CB 3.28Å; C52-C61 CovalentContact SG-SG 2.03Å; C52-C61 PolarHBondContact SG-SG 2.91Å | ||
| 53 | I | 93.8 | Very high | 88.6 | Confident | 124 Ų | 124 | 62.8 Ų | 62.8 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.1 | 167.6 | -59.5 | 171.1 | 0 | 0 | 0 | 107.5 | S60 | I53-S60 PolarHBondContact N-O 3.1Å; I53-S60 PolarHBondContact O-N 2.61Å |
| 54 | C | 94.4 | Very high | 90.3 | Very high | 37 Ų | 37 | 66 Ų | 66 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.3 | 177 | -52.1 | 0 | 0 | 0 | 0 | 110 | C48 I58 V59 | C48-C54 VanDerWaalsContact CA-SG 3.55Å; C48-C54 HydrophobicContact CB-CB 3.54Å; C48-C54 WeakPolarHBondContact CB-SG 3.49Å; C48-C54 WeakPolarHBondContact SG-CB 3.34Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.86Å; C54-I58 CarbonylContact C-O 3.54Å; C54-I58 WeakPolarHBondContact CA-O 3.48Å; C54-V59 HydrophobicContact CB-CG2 4.45Å |
| 55 | A | 92.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 70 Ų | 70 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 111.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N57 I58 | A55-N57 PolarHBondContact O-N 3.25Å; A55-I58 PolarHBondContact N-O 2.91Å; A55-I58 PolarHBondContact O-N 2.77Å |
| 56 | S | 92.8 | Very high | 91.9 | Very high | 111 Ų | 111 | 65.7 Ų | 65.7 | 78% | 0.776 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -102.4 | -172.3 | -173.1 | 0 | 0 | 0 | 0 | 112 | Y76 | S56-Y76 WeakPolarHBondContact O-CE2 2.91Š|
| 57 | N | 94.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 5 | 179.2 | 57.4 | -2.5 | 0 | 0 | 0 | 113.8 | A55 Y76 T77 T78 V79 | A55-N57 PolarHBondContact O-N 3.25Å; N57-Y76 WeakPolarHBondContact CB-O 3.36Å; N57-T77 CarbonylContact O-C 3.52Å; N57-T77 WeakPolarHBondContact O-CA 3.33Å; N57-T78 HydrophobicContact CB-CG2 3.97Å; N57-T78 WeakPolarHBondContact CB-OG1 3.48Å; N57-T78 PolarHBondContact ND2-OG1 2.77Å; N57-T78 VanDerWaalsContact ND2-OG1 3.08Å; N57-T78 PolarHBondContact O-N 2.84Å; N57-T78 PolarHBondContact O-OG1 2.86Å; N57-V79 PolarHBondContact O-N 2.87Å |
| 58 | I | 97.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133 | 177 | -54.4 | 179.4 | 0 | 0 | 0 | 109.4 | C54 A55 V79 | C54-I58 CarbonylContact C-O 3.54Å; C54-I58 WeakPolarHBondContact CA-O 3.48Å; A55-I58 PolarHBondContact N-O 2.91Å; A55-I58 PolarHBondContact O-N 2.77Å; I58-V79 HydrophobicContact CB-CB 4.49Å; I58-V79 HydrophobicContact CG1-CB 4.19Å; I58-V79 HydrophobicContact CG1-CG2 4.32Å; I58-V79 HydrophobicContact CG2-CB 4.21Å; I58-V79 HydrophobicContact CG2-CG1 4.36Å |
| 59 | V | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 111.1 | 168.9 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | L46 C52 C54 P74 T77 V79 L80 D81 | L46-V59 HydrophobicContact CD1-CG1 4.05Å; L46-V59 HydrophobicContact CD2-CG1 4.35Å; C52-V59 HydrophobicContact CB-CG1 4.28Å; C54-V59 HydrophobicContact CB-CG2 4.45Å; V59-P74 HydrophobicContact CG2-CG 4.38Å; V59-T77 HydrophobicContact CB-CG2 4.1Å; V59-T77 HydrophobicContact CG2-CG2 3.88Å; V59-V79 PolarHBondContact N-O 3.49Å; V59-L80 HydrophobicContact CB-CD1 4.04Å; V59-L80 HydrophobicContact CG1-CD1 3.92Å; V59-L80 WeakPolarHBondContact O-CA 3.04Å; V59-D81 PolarHBondContact O-N 2.91Å |
| 60 | S | 97 | Very high | 93.4 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | C52 I53 D81 | C52-S60 CarbonylContact C-O 3.1Å; C52-S60 WeakPolarHBondContact CA-O 3.47Å; C52-S60 WeakPolarHBondContact CB-O 3.41Å; I53-S60 PolarHBondContact N-O 3.1Å; I53-S60 PolarHBondContact O-N 2.61Å; S60-D81 WeakPolarHBondContact CB-OD2 3.43Å; S60-D81 PolarHBondContact OG-OD2 3.28Å |
| 61 | C | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -116.8 | 24 | 179 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | C52 M64 L66 D81 L82 N85 | C52-C61 HydrophobicContact CB-CB 3.95Å; C52-C61 WeakPolarHBondContact CB-SG 3.48Å; C52-C61 WeakPolarHBondContact SG-CB 3.28Å; C52-C61 CovalentContact SG-SG 2.03Å; C52-C61 PolarHBondContact SG-SG 2.91Å; C61-M64 WeakPolarHBondContact O-CG 3.46Å; C61-L66 HydrophobicContact CB-CD1 3.76Å; C61-D81 PolarHBondContact N-O 3.17Å; C61-L82 HydrophobicContact CB-CD2 3.87Å; C61-N85 PolarHBondContact O-ND2 2.85Å | ||
| 62 | S | 96.4 | Very high | 94 | Very high | 28 Ų | 28 | 55 Ų | 55 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 139.6 | -171.6 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | D81 S83 | S62-D81 WeakPolarHBondContact CB-OD2 3.49Å; S62-S83 VanDerWaalsContact CA-O 3.23Å; S62-S83 WeakPolarHBondContact CA-O 3.33Å; S62-S83 WeakPolarHBondContact CB-OG 3.44Å; S62-S83 PolarHBondContact OG-O 3.48Å; S62-S83 VanDerWaalsContact OG-O 3.13Å; S62-S83 PolarHBondContact OG-OG 3.36Å |
| 63 | K | 95.2 | Very high | 94 | Very high | 146 Ų | 146 | 55.1 Ų | 55.1 | 64% | 0.635 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 38.3 | 178.1 | -55.5 | 170 | -173.7 | 170 | 0 | 114.2 | S83 Y84 | K63-S83 PolarHBondContact N-O 2.93Å; K63-Y84 VanDerWaalsContact CA-O 3.31Å; K63-Y84 WeakPolarHBondContact CA-O 3.44Å; K63-Y84 VanDerWaalsContact CG-CB 3.5Å; K63-Y84 HydrophobicContact CG-CD2 4.46Å; K63-Y84 HydrophobicContact CG-CG 4.09Å; K63-Y84 PolarHBondContact N-O 3.31Å |
| 64 | M | 94 | Very high | 93.9 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -112.2 | 18 | -176.8 | -61.5 | -60 | -64.5 | 0 | 0 | 113 | I50 T51 C61 L66 N85 | I50-M64 WeakPolarHBondContact O-CE 3.35Å; T51-M64 WeakPolarHBondContact O-CG 3.48Å; C61-M64 WeakPolarHBondContact O-CG 3.46Å; M64-L66 HydrophobicContact CB-CD1 4.23Å; M64-L66 HydrophobicContact CB-CD2 4.36Å; M64-L66 HydrophobicContact CB-CG 3.91Å; M64-L66 PolarHBondContact O-N 2.03Å; M64-N85 PolarHBondContact N-OD1 2.86Å |
| 65 | D | 93.7 | Very high | 93.9 | Very high | 143 Ų | 143 | 53.3 Ų | 53.3 | 77% | 0.765 | 33% | 0.325 | S | S | * | . | trans | 50.2 | 27.2 | -179.3 | -69.7 | -39.4 | 0 | 0 | 0 | 115.2 | S67 N85 | D65-S67 PolarHBondContact O-N 3.04Å; D65-N85 PolarHBondContact N-OD1 3.23Å; D65-N85 VanDerWaalsContact N-OD1 3.14Å | ||
| 66 | L | 94.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | trans | -68.4 | 124.6 | -173.3 | -61.1 | 174.7 | 0 | 0 | 0 | 111.7 | C61 M64 P70 L82 N85 A86 I87 | C61-L66 HydrophobicContact CB-CD1 3.76Å; M64-L66 HydrophobicContact CB-CD1 4.23Å; M64-L66 HydrophobicContact CB-CD2 4.36Å; M64-L66 HydrophobicContact CB-CG 3.91Å; M64-L66 PolarHBondContact O-N 2.03Å; L66-P70 HydrophobicContact CD1-CG 3.85Å; L66-L82 HydrophobicContact CD1-CD2 4.32Å; L66-N85 HydrophobicContact CB-CB 4.13Å; L66-N85 PolarHBondContact N-OD1 2.92Å; L66-A86 CarbonylContact O-C 3.18Å; L66-A86 VanDerWaalsContact O-CA 3.31Å; L66-A86 WeakPolarHBondContact O-CA 3.38Å; L66-A86 WeakPolarHBondContact O-CB 3.4Å; L66-A86 PolarHBondContact O-N 3.19Å; L66-I87 VanDerWaalsContact O-CG1 3.27Å; L66-I87 WeakPolarHBondContact O-CG1 3.4Å; L66-I87 PolarHBondContact O-N 2.82Å; L66-I87 VanDerWaalsContact O-N 3.12Å | ||
| 67 | S | 94.5 | Very high | 94.1 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -83.7 | -15.9 | 174.3 | 55 | 0 | 0 | 0 | 0 | 113.8 | D65 | D65-S67 PolarHBondContact O-N 3.04Š|
| 68 | A | 93.7 | Very high | 94.2 | Very high | 28 Ų | 28 | 50 Ų | 50 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -149.3 | 163.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S42 | S42-A68 WeakPolarHBondContact O-CB 3.42Š|
| 69 | V | 94.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 136.1 | 176.4 | -171 | 0 | 0 | 0 | 0 | 110.3 | L73 L82 I87 L90 W94 | V69-L73 HydrophobicContact CG1-CD1 4.22Å; V69-L82 HydrophobicContact CB-CD1 4.48Å; V69-L82 HydrophobicContact CG1-CD1 3.7Å; V69-L82 HydrophobicContact CG1-CD2 4.1Å; V69-L82 HydrophobicContact CG2-CD1 4.05Å; V69-I87 HydrophobicContact CG2-CD1 4.13Å; V69-L90 HydrophobicContact CG2-CD1 4.25Å; V69-W94 HydrophobicContact CB-CE3 4.12Å; V69-W94 HydrophobicContact CG1-CE3 3.75Å; V69-W94 HydrophobicContact CG1-CZ3 4.06Å; V69-W94 HydrophobicContact CG2-CB 4.32Å; V69-W94 HydrophobicContact CG2-CE3 3.99Å |
| 70 | P | 92.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.5 | 176.5 | -24.6 | 35.8 | 0 | 0 | 0 | 113.2 | S44 L46 L66 | S44-P70 CarbonylContact O-C 3.52Å; S44-P70 WeakPolarHBondContact O-CA 3.29Å; S44-P70 WeakPolarHBondContact O-CB 3.41Å; L46-P70 HydrophobicContact CB-CB 4.24Å; L46-P70 HydrophobicContact CD1-CB 4Å; L46-P70 HydrophobicContact CD1-CG 4.46Å; L66-P70 HydrophobicContact CD1-CG 3.85Å |
| 71 | T | 90.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -84.2 | 145.6 | -179 | 51.4 | 0 | 0 | 0 | 0 | 112 | G43 S44 T45 L46 | G43-T71 WeakPolarHBondContact O-CG2 3.4Å; G43-T71 PolarHBondContact O-OG1 2.83Å; S44-T71 PolarHBondContact O-N 3.05Å; S44-T71 PolarHBondContact O-OG1 2.78Å; T45-T71 WeakPolarHBondContact CA-OG1 3.42Å; L46-T71 WeakPolarHBondContact CB-O 3.42Å; L46-T71 PolarHBondContact N-O 3.05Å |
| 72 | G | 87.6 | Confident | 94.5 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 62% | 0.619 | 27% | 0.268 | S | S | * | . | trans | 88.2 | 37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 73 | L | 92.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | trans | -60.7 | 135.6 | 178 | -63.1 | 167.5 | 0 | 0 | 0 | 112.5 | L46 V69 L80 W94 L99 | L46-L73 HydrophobicContact CD2-CD2 4.43Å; V69-L73 HydrophobicContact CG1-CD1 4.22Å; L73-L80 HydrophobicContact CD1-CD2 3.73Å; L73-L80 HydrophobicContact CD2-CD1 3.95Å; L73-L80 HydrophobicContact CD2-CD2 4.09Å; L73-W94 HydrophobicContact CD1-CE3 4.26Å; L73-W94 HydrophobicContact CD1-CZ3 3.67Å; L73-L99 HydrophobicContact CB-CD1 4.2Å; L73-L99 HydrophobicContact CB-CD2 4.21Å; L73-L99 HydrophobicContact CD1-CD1 4.02Å | ||
| 74 | P | 92.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | trans | -68.4 | 138 | -178 | -20 | 31.1 | 0 | 0 | 0 | 113.8 | L46 V59 Y76 T77 | L46-P74 HydrophobicContact CD2-CG 4.11Å; V59-P74 HydrophobicContact CG2-CG 4.38Å; P74-Y76 HydrophobicContact CB-CD1 3.99Å; P74-Y76 HydrophobicContact CB-CD2 4.06Å; P74-Y76 HydrophobicContact CB-CE1 3.61Å; P74-Y76 HydrophobicContact CB-CE2 3.66Å; P74-Y76 HydrophobicContact CB-CG 4.21Å; P74-Y76 VanDerWaalsContact CB-CZ 3.43Å; P74-Y76 HydrophobicContact CG-CE2 4.19Å; P74-Y76 PolarHBondContact O-N 2.99Å; P74-Y76 VanDerWaalsContact O-N 3.11Å; P74-T77 WeakPolarHBondContact CD-OG1 3.26Å; P74-T77 WeakPolarHBondContact O-CB 3.29Å; P74-T77 PolarHBondContact O-N 3.49Å; P74-T77 PolarHBondContact O-OG1 2.83Å | ||
| 75 | L | 92.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 41.3 Ų | 41.3 | 53% | 0.529 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.9 | 178.7 | -71.4 | 170.9 | 0 | 0 | 0 | 114.9 | V97 K98 N101 | L75-V97 HydrophobicContact CD2-CG1 3.44Å; L75-V97 VanDerWaalsContact CD2-CG1 3.44Å; L75-V97 HydrophobicContact CG-CG1 4.34Å; L75-K98 VanDerWaalsContact CD2-O 3.28Å; L75-K98 WeakPolarHBondContact CD2-O 3.48Å; L75-N101 PolarHBondContact O-ND2 3.38Å |
| 76 | Y | 93.4 | Very high | 95.1 | Very high | 129 Ų | 129 | 36.1 Ų | 36.1 | 51% | 0.506 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.4 | 178.9 | 57.3 | -109.3 | 0 | 0 | 0 | 113.7 | S56 N57 P74 T78 | S56-Y76 WeakPolarHBondContact O-CE2 2.91Å; N57-Y76 WeakPolarHBondContact CB-O 3.36Å; P74-Y76 HydrophobicContact CB-CD1 3.99Å; P74-Y76 HydrophobicContact CB-CD2 4.06Å; P74-Y76 HydrophobicContact CB-CE1 3.61Å; P74-Y76 HydrophobicContact CB-CE2 3.66Å; P74-Y76 HydrophobicContact CB-CG 4.21Å; P74-Y76 VanDerWaalsContact CB-CZ 3.43Å; P74-Y76 HydrophobicContact CG-CE2 4.19Å; P74-Y76 PolarHBondContact O-N 2.99Å; P74-Y76 VanDerWaalsContact O-N 3.11Å; Y76-T78 PolarHBondContact O-N 2.84Å |
| 77 | T | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -62.9 | 122.8 | -177.4 | -50 | 0 | 0 | 0 | 0 | 110.7 | N57 V59 P74 V79 L80 N101 L102 | N57-T77 CarbonylContact O-C 3.52Å; N57-T77 WeakPolarHBondContact O-CA 3.33Å; V59-T77 HydrophobicContact CB-CG2 4.1Å; V59-T77 HydrophobicContact CG2-CG2 3.88Å; P74-T77 WeakPolarHBondContact CD-OG1 3.26Å; P74-T77 WeakPolarHBondContact O-CB 3.29Å; P74-T77 PolarHBondContact O-N 3.49Å; P74-T77 PolarHBondContact O-OG1 2.83Å; T77-V79 WeakPolarHBondContact CG2-O 3.46Å; T77-L80 HydrophobicContact CG2-CB 4.18Å; T77-N101 CarbonylContact O-C 3.52Å; T77-L102 HydrophobicContact CG2-CD1 3.88Å; T77-L102 WeakPolarHBondContact O-CA 3.24Å; T77-L102 PolarHBondContact O-N 3.11Å | ||
| 78 | T | 97.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 17% | 0.172 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -102.6 | -31.9 | 175 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | N57 Y76 N101 H103 N104 | N57-T78 HydrophobicContact CB-CG2 3.97Å; N57-T78 WeakPolarHBondContact CB-OG1 3.48Å; N57-T78 PolarHBondContact ND2-OG1 2.77Å; N57-T78 VanDerWaalsContact ND2-OG1 3.08Å; N57-T78 PolarHBondContact O-N 2.84Å; N57-T78 PolarHBondContact O-OG1 2.86Å; Y76-T78 PolarHBondContact O-N 2.84Å; T78-N101 VanDerWaalsContact CA-O 3.31Å; T78-N101 WeakPolarHBondContact CA-O 3.32Å; T78-N101 HydrophobicContact CG2-CB 4.21Å; T78-N101 WeakPolarHBondContact CG2-O 3.32Å; T78-H103 PolarHBondContact O-N 3.18Å; T78-N104 PolarHBondContact O-N 3.29Å |
| 79 | V | 98.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.5 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | N57 I58 V59 T77 N104 | N57-V79 PolarHBondContact O-N 2.87Å; I58-V79 HydrophobicContact CB-CB 4.49Å; I58-V79 HydrophobicContact CG1-CB 4.19Å; I58-V79 HydrophobicContact CG1-CG2 4.32Å; I58-V79 HydrophobicContact CG2-CB 4.21Å; I58-V79 HydrophobicContact CG2-CG1 4.36Å; V59-V79 PolarHBondContact N-O 3.49Å; T77-V79 WeakPolarHBondContact CG2-O 3.46Å; V79-N104 WeakPolarHBondContact CA-O 3.44Å; V79-N104 HydrophobicContact CB-CB 4.41Å; V79-N104 HydrophobicContact CG1-CB 4.13Å; V79-N104 HydrophobicContact CG2-CB 4.15Å |
| 80 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.4 | 171.5 | 178.9 | 56.9 | 0 | 0 | 0 | 108.9 | V59 L73 T77 L82 W94 L102 N104 L105 L106 | V59-L80 HydrophobicContact CB-CD1 4.04Å; V59-L80 HydrophobicContact CG1-CD1 3.92Å; V59-L80 WeakPolarHBondContact O-CA 3.04Å; L73-L80 HydrophobicContact CD1-CD2 3.73Å; L73-L80 HydrophobicContact CD2-CD1 3.95Å; L73-L80 HydrophobicContact CD2-CD2 4.09Å; T77-L80 HydrophobicContact CG2-CB 4.18Å; L80-L82 HydrophobicContact CD1-CD1 4.24Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 3.84Å; L80-L82 HydrophobicContact CG-CD1 3.8Å; L80-L82 HydrophobicContact CG-CG 4.13Å; L80-W94 HydrophobicContact CD2-CH2 4.06Å; L80-W94 HydrophobicContact CD2-CZ3 3.77Å; L80-L102 HydrophobicContact CB-CD1 3.63Å; L80-L102 HydrophobicContact CB-CD2 4.5Å; L80-N104 PolarHBondContact N-O 3.38Å; L80-L105 HydrophobicContact CB-CD1 4.14Å; L80-L105 HydrophobicContact CD2-CD1 4.03Å; L80-L105 HydrophobicContact CG-CD1 4.06Å; L80-L105 WeakPolarHBondContact O-CA 3.45Å; L80-L106 PolarHBondContact O-N 3.03Å |
| 81 | D | 98.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115 | 178.7 | 165.7 | 32.9 | 0 | 0 | 0 | 110.1 | V59 S60 C61 S62 S83 L106 | V59-D81 PolarHBondContact O-N 2.91Å; S60-D81 WeakPolarHBondContact CB-OD2 3.43Å; S60-D81 PolarHBondContact OG-OD2 3.28Å; C61-D81 PolarHBondContact N-O 3.17Å; S62-D81 WeakPolarHBondContact CB-OD2 3.49Å; D81-S83 VanDerWaalsContact OD1-CB 3.24Å; D81-S83 WeakPolarHBondContact OD1-CB 3.5Å; D81-S83 PolarHBondContact OD1-N 2.98Å; D81-S83 PolarHBondContact OD1-OG 3.12Å; D81-L106 HydrophobicContact CB-CB 4.38Å; D81-L106 HydrophobicContact CB-CD1 4.1Å; D81-L106 HydrophobicContact CB-CG 4.47Å |
| 82 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -121.7 | 19.6 | 178.4 | -70.2 | 155.7 | 0 | 0 | 0 | 110.3 | C61 L66 V69 L80 N85 I87 L105 L106 L107 N110 | C61-L82 HydrophobicContact CB-CD2 3.87Å; L66-L82 HydrophobicContact CD1-CD2 4.32Å; V69-L82 HydrophobicContact CB-CD1 4.48Å; V69-L82 HydrophobicContact CG1-CD1 3.7Å; V69-L82 HydrophobicContact CG1-CD2 4.1Å; V69-L82 HydrophobicContact CG2-CD1 4.05Å; L80-L82 HydrophobicContact CD1-CD1 4.24Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 3.84Å; L80-L82 HydrophobicContact CG-CD1 3.8Å; L80-L82 HydrophobicContact CG-CG 4.13Å; L82-N85 PolarHBondContact O-ND2 2.92Å; L82-I87 HydrophobicContact CB-CD1 4.34Å; L82-I87 HydrophobicContact CD2-CD1 4.45Å; L82-L105 HydrophobicContact CD1-CD1 4.24Å; L82-L106 CarbonylContact C-O 3.51Å; L82-L106 WeakPolarHBondContact CA-O 3.01Å; L82-L106 PolarHBondContact N-O 3.04Å; L82-L107 HydrophobicContact CB-CD2 3.79Å; L82-L107 HydrophobicContact CD1-CD2 3.92Å; L82-N110 PolarHBondContact O-ND2 2.76Å | ||
| 83 | S | 98.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | trans | -64.3 | 159.3 | -175.9 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | S62 K63 D81 N85 L106 S108 | S62-S83 VanDerWaalsContact CA-O 3.23Å; S62-S83 WeakPolarHBondContact CA-O 3.33Å; S62-S83 WeakPolarHBondContact CB-OG 3.44Å; S62-S83 PolarHBondContact OG-O 3.48Å; S62-S83 VanDerWaalsContact OG-O 3.13Å; S62-S83 PolarHBondContact OG-OG 3.36Å; K63-S83 PolarHBondContact N-O 2.93Å; D81-S83 VanDerWaalsContact OD1-CB 3.24Å; D81-S83 WeakPolarHBondContact OD1-CB 3.5Å; D81-S83 PolarHBondContact OD1-N 2.98Å; D81-S83 PolarHBondContact OD1-OG 3.12Å; S83-N85 PolarHBondContact O-N 3.33Å; S83-N85 PolarHBondContact O-ND2 3.46Å; S83-N85 VanDerWaalsContact O-ND2 3.11Å; S83-L106 PolarHBondContact N-O 3.12Å; S83-S108 CarbonylContact C-O 2.95Å; S83-S108 WeakPolarHBondContact CA-O 3.36Å | ||
| 84 | Y | 98.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 44.9 Ų | 44.9 | 42% | 0.424 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 53.4 | 46.7 | 177 | -59.9 | -86 | 0 | 0 | 0 | 113.7 | K63 S108 H109 | K63-Y84 VanDerWaalsContact CA-O 3.31Å; K63-Y84 WeakPolarHBondContact CA-O 3.44Å; K63-Y84 VanDerWaalsContact CG-CB 3.5Å; K63-Y84 HydrophobicContact CG-CD2 4.46Å; K63-Y84 HydrophobicContact CG-CG 4.09Å; K63-Y84 PolarHBondContact N-O 3.31Å; Y84-S108 PolarHBondContact N-O 3.02Å; Y84-H109 VanDerWaalsContact CA-O 3.27Å; Y84-H109 WeakPolarHBondContact CA-O 3.39Å; Y84-H109 HydrophobicContact CD1-CB 3.51Å; Y84-H109 AromaticContact CD1-CG 3.77Å; Y84-H109 HydrophobicContact CD2-CB 4.46Å; Y84-H109 HydrophobicContact CE1-CB 3.72Å; Y84-H109 AromaticContact CE1-CD2 3.66Å; Y84-H109 AromaticContact CE1-CG 3.4Å; Y84-H109 VanDerWaalsContact CE1-CG 3.4Å; Y84-H109 AromaticContact CE1-ND1 3.71Å; Y84-H109 HydrophobicContact CG-CB 3.9Å; Y84-H109 AromaticContact CZ-CD2 3.56Å; Y84-H109 AromaticContact CZ-CG 3.82Å |
| 85 | N | 97.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -122.6 | -174.9 | 178.3 | -80.7 | -61.6 | 0 | 0 | 0 | 111 | C61 M64 D65 L66 L82 S83 I87 H109 N110 | C61-N85 PolarHBondContact O-ND2 2.85Å; M64-N85 PolarHBondContact N-OD1 2.86Å; D65-N85 PolarHBondContact N-OD1 3.23Å; D65-N85 VanDerWaalsContact N-OD1 3.14Å; L66-N85 HydrophobicContact CB-CB 4.13Å; L66-N85 PolarHBondContact N-OD1 2.92Å; L82-N85 PolarHBondContact O-ND2 2.92Å; S83-N85 PolarHBondContact O-N 3.33Å; S83-N85 PolarHBondContact O-ND2 3.46Å; S83-N85 VanDerWaalsContact O-ND2 3.11Å; N85-I87 HydrophobicContact CB-CD1 4.5Å; N85-I87 HydrophobicContact CB-CG1 4.24Å; N85-H109 PolarHBondContact N-O 3.31Å; N85-N110 WeakPolarHBondContact CA-OD1 3.47Å; N85-N110 WeakPolarHBondContact CB-OD1 3.48Å; N85-N110 WeakPolarHBondContact O-CA 3.49Å; N85-N110 PolarHBondContact O-OD1 3.44Å |
| 86 | A | 97.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 45 Ų | 45 | 28% | 0.281 | 22% | 0.224 | S | C | . | . | trans | -100.2 | 6.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L66 D88 N111 | L66-A86 CarbonylContact O-C 3.18Å; L66-A86 VanDerWaalsContact O-CA 3.31Å; L66-A86 WeakPolarHBondContact O-CA 3.38Å; L66-A86 WeakPolarHBondContact O-CB 3.4Å; L66-A86 PolarHBondContact O-N 3.19Å; A86-D88 PolarHBondContact O-N 2.94Å; A86-N111 WeakPolarHBondContact CA-ND2 3.35Å; A86-N111 WeakPolarHBondContact O-CB 3.35Å; A86-N111 PolarHBondContact O-ND2 3.09Å | ||
| 87 | I | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -61.2 | 124.1 | -167.2 | -50.9 | 173.9 | 0 | 0 | 0 | 111.5 | L66 V69 L82 N85 L107 N110 N111 L112 | L66-I87 VanDerWaalsContact O-CG1 3.27Å; L66-I87 WeakPolarHBondContact O-CG1 3.4Å; L66-I87 PolarHBondContact O-N 2.82Å; L66-I87 VanDerWaalsContact O-N 3.12Å; V69-I87 HydrophobicContact CG2-CD1 4.13Å; L82-I87 HydrophobicContact CB-CD1 4.34Å; L82-I87 HydrophobicContact CD2-CD1 4.45Å; N85-I87 HydrophobicContact CB-CD1 4.5Å; N85-I87 HydrophobicContact CB-CG1 4.24Å; I87-L107 HydrophobicContact CD1-CD2 4.29Å; I87-N110 WeakPolarHBondContact CB-OD1 3.23Å; I87-N110 WeakPolarHBondContact CG1-OD1 3.35Å; I87-N110 PolarHBondContact N-OD1 3.34Å; I87-N110 VanDerWaalsContact N-OD1 3.07Å; I87-N111 CarbonylContact O-C 3.01Å; I87-N111 VanDerWaalsContact O-CA 3.26Å; I87-N111 WeakPolarHBondContact O-CA 3.43Å; I87-N111 WeakPolarHBondContact O-CB 3.26Å; I87-N111 PolarHBondContact O-N 2.88Å; I87-L112 HydrophobicContact CB-CD2 4.31Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; I87-L112 PolarHBondContact O-N 3.32Å | ||
| 88 | D | 96.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -97.1 | -22.5 | -174.6 | 89.8 | -45.5 | 0 | 0 | 0 | 114.8 | A86 N111 L112 R113 | A86-D88 PolarHBondContact O-N 2.94Å; D88-N111 HydrophobicContact CB-CB 4.34Å; D88-L112 WeakPolarHBondContact O-CA 3.19Å; D88-R113 PolarHBondContact O-N 3.45Å | ||
| 89 | R | 96 | Very high | 95.2 | Very high | 143 Ų | 143 | 46.4 Ų | 46.4 | 54% | 0.54 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 139.8 | -174.5 | -65.4 | 163.4 | -157.6 | -126.3 | 1.1 | 111.7 | F114 | R89-F114 HydrophobicContact CB-CD1 4.46Å; R89-F114 HydrophobicContact CG-CB 4.24Å; R89-F114 HydrophobicContact CG-CD1 4.46Å |
| 90 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 89.3 | 165 | -159.5 | 71.2 | 0 | 0 | 0 | 109.1 | V69 W94 L107 L112 F114 L115 S116 A119 F120 | V69-L90 HydrophobicContact CG2-CD1 4.25Å; L90-W94 HydrophobicContact CD1-CB 3.93Å; L90-W94 HydrophobicContact CD1-CD2 3.88Å; L90-W94 HydrophobicContact CD1-CG 3.56Å; L90-W94 HydrophobicContact CG-CG 4.05Å; L90-L107 HydrophobicContact CD1-CD1 4.23Å; L90-L107 HydrophobicContact CD2-CD1 4.01Å; L90-L112 HydrophobicContact CB-CD2 4.39Å; L90-F114 PolarHBondContact N-O 3.3Å; L90-L115 HydrophobicContact CB-CD2 3.68Å; L90-L115 HydrophobicContact CD2-CD2 4.15Å; L90-S116 PolarHBondContact O-N 3.41Å; L90-A119 HydrophobicContact CD2-CB 4Å; L90-A119 HydrophobicContact CG-CB 4.08Å; L90-F120 HydrophobicContact CD2-CE1 3.9Å; L90-F120 HydrophobicContact CD2-CZ 3.86Å |
| 91 | K | 93.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 39% | 0.391 | 26% | 0.262 | S | S | . | . | trans | -73.5 | 164.1 | 176 | -58.1 | 177.1 | -172.6 | 170.5 | 0 | 111.2 | D93 W94 | K91-D93 WeakPolarHBondContact CB-OD1 3.35Å; K91-D93 WeakPolarHBondContact CD-OD1 3.23Å; K91-D93 PolarHBondContact O-N 3.42Å; K91-W94 PolarHBondContact O-N 2.98Å | ||
| 92 | S | 92.5 | Very high | 94.9 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.7 | 177.2 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 93 | D | 89.6 | Confident | 94.9 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 4.4 | 179.6 | 63.6 | -30.8 | 0 | 0 | 0 | 114.7 | K91 T95 | K91-D93 WeakPolarHBondContact CB-OD1 3.35Å; K91-D93 WeakPolarHBondContact CD-OD1 3.23Å; K91-D93 PolarHBondContact O-N 3.42Å; D93-T95 PolarHBondContact O-N 2.9Å; D93-T95 VanDerWaalsContact O-N 3.14Å |
| 94 | W | 93.6 | Very high | 95 | Very high | 23 Ų | 23 | 55 Ų | 55 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -57.6 | -31.9 | -176 | 81.3 | -95.7 | 0 | 0 | 0 | 113.8 | V69 L73 L80 L90 K91 L105 A119 V123 | V69-W94 HydrophobicContact CB-CE3 4.12Å; V69-W94 HydrophobicContact CG1-CE3 3.75Å; V69-W94 HydrophobicContact CG1-CZ3 4.06Å; V69-W94 HydrophobicContact CG2-CB 4.32Å; V69-W94 HydrophobicContact CG2-CE3 3.99Å; L73-W94 HydrophobicContact CD1-CE3 4.26Å; L73-W94 HydrophobicContact CD1-CZ3 3.67Å; L80-W94 HydrophobicContact CD2-CH2 4.06Å; L80-W94 HydrophobicContact CD2-CZ3 3.77Å; L90-W94 HydrophobicContact CD1-CB 3.93Å; L90-W94 HydrophobicContact CD1-CD2 3.88Å; L90-W94 HydrophobicContact CD1-CG 3.56Å; L90-W94 HydrophobicContact CG-CG 4.05Å; K91-W94 PolarHBondContact O-N 2.98Å; W94-L105 HydrophobicContact CH2-CD1 4.37Å; W94-L105 HydrophobicContact CH2-CD2 4.06Å; W94-L105 HydrophobicContact CZ2-CD2 3.95Å; W94-A119 PolarHBondContact NE1-O 3.25Å; W94-V123 HydrophobicContact CH2-CG1 4.09Å; W94-V123 HydrophobicContact CZ2-CG1 3.83Å; W94-V123 HydrophobicContact CZ2-CG2 4.25Å |
| 95 | T | 91.9 | Very high | 95 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | trans | -128.3 | 116.1 | 159.9 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | D93 V97 N122 V123 | D93-T95 PolarHBondContact O-N 2.9Å; D93-T95 VanDerWaalsContact O-N 3.14Å; T95-V97 PolarHBondContact O-N 2.82Å; T95-V97 PolarHBondContact OG1-N 2.96Å; T95-V97 PolarHBondContact OG1-O 3.28Å; T95-N122 HydrophobicContact CG2-CB 3.86Å; T95-N122 PolarHBondContact O-ND2 3.25Å; T95-V123 HydrophobicContact CG2-CG1 4.39Å | ||
| 96 | T | 86.3 | Confident | 95 | Very high | 117 Ų | 117 | 51.3 Ų | 51.3 | 72% | 0.718 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -73.9 | -7.2 | 172.7 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 97 | V | 90.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -116.8 | 134.6 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | L75 T95 L99 | L75-V97 HydrophobicContact CD2-CG1 3.44Å; L75-V97 VanDerWaalsContact CD2-CG1 3.44Å; L75-V97 HydrophobicContact CG-CG1 4.34Å; T95-V97 PolarHBondContact O-N 2.82Å; T95-V97 PolarHBondContact OG1-N 2.96Å; T95-V97 PolarHBondContact OG1-O 3.28Å; V97-L99 PolarHBondContact O-N 2.91Å |
| 98 | K | 94.1 | Very high | 95.1 | Very high | 134 Ų | 134 | 50.1 Ų | 50.1 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | trans | -67.4 | 127.4 | 170.9 | -176.3 | -178.7 | 178.9 | -176.8 | 0 | 109.7 | L75 P100 N122 | L75-K98 VanDerWaalsContact CD2-O 3.28Å; L75-K98 WeakPolarHBondContact CD2-O 3.48Å; K98-P100 WeakPolarHBondContact O-CD 3.48Å; K98-N122 WeakPolarHBondContact CA-O 3.45Å | ||
| 99 | L | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -106.6 | 86.9 | 178.4 | -58.1 | 174.6 | 0 | 0 | 0 | 108.9 | L73 V97 N101 L102 N122 V123 | L73-L99 HydrophobicContact CB-CD1 4.2Å; L73-L99 HydrophobicContact CB-CD2 4.21Å; L73-L99 HydrophobicContact CD1-CD1 4.02Å; V97-L99 PolarHBondContact O-N 2.91Å; L99-N101 PolarHBondContact O-N 2.76Å; L99-L102 HydrophobicContact CB-CB 3.89Å; L99-L102 HydrophobicContact CD1-CD2 4.14Å; L99-L102 PolarHBondContact O-N 3.06Å; L99-N122 PolarHBondContact N-O 3.32Å; L99-V123 HydrophobicContact CB-CG1 4.31Å; L99-V123 HydrophobicContact CD1-CG1 4.36Å | ||
| 100 | P | 94.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 44.1 Ų | 44.1 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.5 | -170.5 | 30.7 | -37.4 | 0 | 0 | 0 | 113.7 | K98 Q125 | K98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-Q125 WeakPolarHBondContact O-CG 3.3Å |
| 101 | N | 96.3 | Very high | 95.4 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -3.8 | -178 | -58.7 | -61.7 | 0 | 0 | 0 | 113.1 | L75 T77 T78 L99 H103 | L75-N101 PolarHBondContact O-ND2 3.38Å; T77-N101 CarbonylContact O-C 3.52Å; T78-N101 VanDerWaalsContact CA-O 3.31Å; T78-N101 WeakPolarHBondContact CA-O 3.32Å; T78-N101 HydrophobicContact CG2-CB 4.21Å; T78-N101 WeakPolarHBondContact CG2-O 3.32Å; L99-N101 PolarHBondContact O-N 2.76Å; N101-H103 PolarHBondContact O-CE1 3.25Å; N101-H103 PolarHBondContact O-N 3.43Å; N101-H103 PolarHBondContact O-ND1 3.39Å |
| 102 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -74.7 | 110.5 | -173.9 | -169.1 | 75.9 | 0 | 0 | 0 | 110.3 | T77 L80 L99 L105 V123 Q125 L126 | T77-L102 HydrophobicContact CG2-CD1 3.88Å; T77-L102 WeakPolarHBondContact O-CA 3.24Å; T77-L102 PolarHBondContact O-N 3.11Å; L80-L102 HydrophobicContact CB-CD1 3.63Å; L80-L102 HydrophobicContact CB-CD2 4.5Å; L99-L102 HydrophobicContact CB-CB 3.89Å; L99-L102 HydrophobicContact CD1-CD2 4.14Å; L99-L102 PolarHBondContact O-N 3.06Å; L102-L105 HydrophobicContact CD2-CB 4.43Å; L102-V123 HydrophobicContact CD2-CB 4.21Å; L102-V123 HydrophobicContact CD2-CG1 3.66Å; L102-Q125 CarbonylContact O-C 3.54Å; L102-L126 HydrophobicContact CD2-CD2 3.92Å; L102-L126 HydrophobicContact CG-CD2 3.84Å; L102-L126 PolarHBondContact O-N 3.47Å | ||
| 103 | H | 98.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | trans | -103.3 | -33.2 | -179.5 | -67.9 | 100.4 | 0 | 0 | 0 | 112.3 | T78 N101 Q125 L126 R127 Y128 | T78-H103 PolarHBondContact O-N 3.18Å; N101-H103 PolarHBondContact O-CE1 3.25Å; N101-H103 PolarHBondContact O-N 3.43Å; N101-H103 PolarHBondContact O-ND1 3.39Å; H103-Q125 PolarHBondContact CD2-O 3.4Å; H103-Q125 VanDerWaalsContact CD2-O 3.28Å; H103-L126 CarbonylContact O-C 3.48Å; H103-L126 WeakPolarHBondContact O-CA 3.15Å; H103-L126 WeakPolarHBondContact O-CD2 3.34Å; H103-R127 PolarHBondContact CD2-NE 2.04Å; H103-R127 PolarHBondContact O-N 2.92Å; H103-Y128 PolarHBondContact O-N 2.87Å | ||
| 104 | N | 98.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.4 | -177.9 | -59.3 | -4.2 | 0 | 0 | 0 | 110.4 | T78 V79 L80 Y128 | T78-N104 PolarHBondContact O-N 3.29Å; V79-N104 WeakPolarHBondContact CA-O 3.44Å; V79-N104 HydrophobicContact CB-CB 4.41Å; V79-N104 HydrophobicContact CG1-CB 4.13Å; V79-N104 HydrophobicContact CG2-CB 4.15Å; L80-N104 PolarHBondContact N-O 3.38Å; N104-Y128 WeakPolarHBondContact CA-O 3.44Å |
| 105 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115.1 | 173.5 | 175.2 | 57.3 | 0 | 0 | 0 | 109.6 | L80 L82 W94 L102 L107 F120 L126 Y128 L129 D130 | L80-L105 HydrophobicContact CB-CD1 4.14Å; L80-L105 HydrophobicContact CD2-CD1 4.03Å; L80-L105 HydrophobicContact CG-CD1 4.06Å; L80-L105 WeakPolarHBondContact O-CA 3.45Å; L82-L105 HydrophobicContact CD1-CD1 4.24Å; W94-L105 HydrophobicContact CH2-CD1 4.37Å; W94-L105 HydrophobicContact CH2-CD2 4.06Å; W94-L105 HydrophobicContact CZ2-CD2 3.95Å; L102-L105 HydrophobicContact CD2-CB 4.43Å; L105-L107 HydrophobicContact CD1-CD1 4.17Å; L105-L107 HydrophobicContact CD1-CG 4.1Å; L105-L107 HydrophobicContact CD2-CD1 3.91Å; L105-L107 HydrophobicContact CG-CD1 3.91Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L105-F120 HydrophobicContact CD2-CE1 4.46Å; L105-L126 HydrophobicContact CB-CD1 4.04Å; L105-L126 HydrophobicContact CB-CD2 3.64Å; L105-L126 HydrophobicContact CD2-CD1 4.06Å; L105-Y128 PolarHBondContact N-O 3.44Å; L105-L129 HydrophobicContact CB-CD1 4.09Å; L105-L129 HydrophobicContact CD2-CD1 3.98Å; L105-L129 HydrophobicContact CG-CD1 4Å; L105-D130 PolarHBondContact O-N 3.21Å |
| 106 | L | 98.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.1 | 179 | -43.7 | -178.3 | 0 | 0 | 0 | 109.7 | L80 D81 L82 S83 Y128 D130 | L80-L106 PolarHBondContact O-N 3.03Å; D81-L106 HydrophobicContact CB-CB 4.38Å; D81-L106 HydrophobicContact CB-CD1 4.1Å; D81-L106 HydrophobicContact CB-CG 4.47Å; L82-L106 CarbonylContact C-O 3.51Å; L82-L106 WeakPolarHBondContact CA-O 3.01Å; L82-L106 PolarHBondContact N-O 3.04Å; S83-L106 PolarHBondContact N-O 3.12Å; L106-Y128 HydrophobicContact CD2-CD1 3.78Å; L106-Y128 HydrophobicContact CD2-CE1 3.51Å; L106-D130 HydrophobicContact CD2-CB 3.97Å |
| 107 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -125.3 | 14.9 | 179.6 | -78.6 | 164.5 | 0 | 0 | 0 | 111.6 | L82 I87 L90 L105 N110 L112 D130 L131 N134 | L82-L107 HydrophobicContact CB-CD2 3.79Å; L82-L107 HydrophobicContact CD1-CD2 3.92Å; I87-L107 HydrophobicContact CD1-CD2 4.29Å; L90-L107 HydrophobicContact CD1-CD1 4.23Å; L90-L107 HydrophobicContact CD2-CD1 4.01Å; L105-L107 HydrophobicContact CD1-CD1 4.17Å; L105-L107 HydrophobicContact CD1-CG 4.1Å; L105-L107 HydrophobicContact CD2-CD1 3.91Å; L105-L107 HydrophobicContact CG-CD1 3.91Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L107-N110 WeakPolarHBondContact O-CB 3.42Å; L107-N110 PolarHBondContact O-ND2 2.89Å; L107-L112 HydrophobicContact CB-CD1 4.08Å; L107-L112 HydrophobicContact CD1-CD1 4.42Å; L107-D130 CarbonylContact C-O 3.37Å; L107-D130 WeakPolarHBondContact CA-O 3.29Å; L107-D130 WeakPolarHBondContact CB-O 3.24Å; L107-D130 PolarHBondContact N-O 3.36Å; L107-L131 HydrophobicContact CB-CD2 3.98Å; L107-L131 HydrophobicContact CD1-CD2 3.95Å; L107-N134 PolarHBondContact O-ND2 2.84Å | ||
| 108 | S | 98.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | trans | -68.3 | 158.6 | -177.4 | 45.6 | 0 | 0 | 0 | 0 | 114 | S83 Y84 N110 D130 S132 | S83-S108 CarbonylContact C-O 2.95Å; S83-S108 WeakPolarHBondContact CA-O 3.36Å; Y84-S108 PolarHBondContact N-O 3.02Å; S108-N110 VanDerWaalsContact C-N 3.31Å; S108-N110 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-ND2 2.85Å; S108-D130 VanDerWaalsContact CB-CG 3.49Å; S108-D130 WeakPolarHBondContact CB-OD2 3.08Å; S108-D130 PolarHBondContact N-O 3.43Å; S108-D130 PolarHBondContact OG-OD2 2.76Å; S108-S132 WeakPolarHBondContact CA-O 3.25Å; S108-S132 WeakPolarHBondContact CB-O 3.14Å; S108-S132 VanDerWaalsContact CB-OG 3.29Å; S108-S132 WeakPolarHBondContact CB-OG 3.41Å | ||
| 109 | H | 98.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 34% | 0.338 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 55.6 | 44.9 | -176.9 | -66.1 | -90.4 | 0 | 0 | 0 | 112.8 | Y84 N85 S132 S133 | Y84-H109 VanDerWaalsContact CA-O 3.27Å; Y84-H109 WeakPolarHBondContact CA-O 3.39Å; Y84-H109 HydrophobicContact CD1-CB 3.51Å; Y84-H109 AromaticContact CD1-CG 3.77Å; Y84-H109 HydrophobicContact CD2-CB 4.46Å; Y84-H109 HydrophobicContact CE1-CB 3.72Å; Y84-H109 AromaticContact CE1-CD2 3.66Å; Y84-H109 AromaticContact CE1-CG 3.4Å; Y84-H109 VanDerWaalsContact CE1-CG 3.4Å; Y84-H109 AromaticContact CE1-ND1 3.71Å; Y84-H109 HydrophobicContact CG-CB 3.9Å; Y84-H109 AromaticContact CZ-CD2 3.56Å; Y84-H109 AromaticContact CZ-CG 3.82Å; N85-H109 PolarHBondContact N-O 3.31Å; H109-S132 PolarHBondContact N-O 3.36Å; H109-S133 VanDerWaalsContact CA-O 3.26Å; H109-S133 WeakPolarHBondContact CA-O 3.47Å; H109-S133 VanDerWaalsContact CE1-CB 3.48Å; H109-S133 WeakPolarHBondContact CE1-CB 3.48Å; H109-S133 PolarHBondContact CE1-OG 2.94Å; H109-S133 PolarHBondContact N-O 3.39Å; H109-S133 PolarHBondContact NE2-OG 3.06Å |
| 110 | N | 98.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -114.4 | -173.4 | 174.7 | -89.1 | -87 | 0 | 0 | 0 | 111.4 | L82 N85 I87 L107 S108 L112 N134 | L82-N110 PolarHBondContact O-ND2 2.76Å; N85-N110 WeakPolarHBondContact CA-OD1 3.47Å; N85-N110 WeakPolarHBondContact CB-OD1 3.48Å; N85-N110 WeakPolarHBondContact O-CA 3.49Å; N85-N110 PolarHBondContact O-OD1 3.44Å; I87-N110 WeakPolarHBondContact CB-OD1 3.23Å; I87-N110 WeakPolarHBondContact CG1-OD1 3.35Å; I87-N110 PolarHBondContact N-OD1 3.34Å; I87-N110 VanDerWaalsContact N-OD1 3.07Å; L107-N110 WeakPolarHBondContact O-CB 3.42Å; L107-N110 PolarHBondContact O-ND2 2.89Å; S108-N110 VanDerWaalsContact C-N 3.31Å; S108-N110 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-ND2 2.85Å; N110-L112 HydrophobicContact CB-CG 4.2Å; N110-N134 WeakPolarHBondContact CA-OD1 3.48Å; N110-N134 WeakPolarHBondContact CB-OD1 3.28Å; N110-N134 PolarHBondContact O-OD1 3.15Å |
| 111 | N | 98.1 | Very high | 97 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | trans | -98.7 | 11.5 | 177 | -74.3 | -55.8 | 0 | 0 | 0 | 113.7 | A86 I87 D88 R113 K135 | A86-N111 WeakPolarHBondContact CA-ND2 3.35Å; A86-N111 WeakPolarHBondContact O-CB 3.35Å; A86-N111 PolarHBondContact O-ND2 3.09Å; I87-N111 CarbonylContact O-C 3.01Å; I87-N111 VanDerWaalsContact O-CA 3.26Å; I87-N111 WeakPolarHBondContact O-CA 3.43Å; I87-N111 WeakPolarHBondContact O-CB 3.26Å; I87-N111 PolarHBondContact O-N 2.88Å; D88-N111 HydrophobicContact CB-CB 4.34Å; N111-R113 VanDerWaalsContact O-CG 3.3Å; N111-R113 WeakPolarHBondContact O-CG 3.4Å; N111-R113 PolarHBondContact O-N 3.32Å; N111-K135 PolarHBondContact OD1-NZ 3.13Å | ||
| 112 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -57 | 119.1 | -165.5 | -64.4 | 173.3 | 0 | 0 | 0 | 111.8 | I87 D88 L90 L107 N110 L115 L131 N134 K135 L136 | I87-L112 HydrophobicContact CB-CD2 4.31Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; I87-L112 PolarHBondContact O-N 3.32Å; D88-L112 WeakPolarHBondContact O-CA 3.19Å; L90-L112 HydrophobicContact CB-CD2 4.39Å; L107-L112 HydrophobicContact CB-CD1 4.08Å; L107-L112 HydrophobicContact CD1-CD1 4.42Å; N110-L112 HydrophobicContact CB-CG 4.2Å; L112-L115 HydrophobicContact CD1-CD2 4.46Å; L112-L131 HydrophobicContact CD1-CD2 3.7Å; L112-N134 HydrophobicContact CB-CB 4.28Å; L112-N134 WeakPolarHBondContact CB-OD1 3.41Å; L112-N134 WeakPolarHBondContact CG-OD1 3.48Å; L112-N134 PolarHBondContact N-OD1 3.34Å; L112-K135 CarbonylContact O-C 3.58Å; L112-K135 VanDerWaalsContact O-CA 3.22Å; L112-K135 WeakPolarHBondContact O-CA 3.45Å; L112-K135 PolarHBondContact O-N 3.12Å; L112-L136 HydrophobicContact CB-CD2 4.17Å; L112-L136 PolarHBondContact O-N 2.85Å; L112-L136 VanDerWaalsContact O-N 3.08Å | ||
| 113 | R | 97.4 | Very high | 96.9 | Very high | 164 Ų | 164 | 40.9 Ų | 40.9 | 62% | 0.619 | 20% | 0.203 | S | C | * | . | trans | -110 | -17.4 | 174.8 | -51.1 | -172.3 | -164.2 | -163.9 | 5.5 | 113.3 | D88 N111 K135 | D88-R113 PolarHBondContact O-N 3.45Å; N111-R113 VanDerWaalsContact O-CG 3.3Å; N111-R113 WeakPolarHBondContact O-CG 3.4Å; N111-R113 PolarHBondContact O-N 3.32Å; R113-K135 HydrophobicContact CG-CB 3.93Å | ||
| 114 | F | 95.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 43 Ų | 43 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.6 | -172.2 | 173.3 | -96.9 | 0 | 0 | 0 | 110.5 | R89 L90 | R89-F114 HydrophobicContact CB-CD1 4.46Å; R89-F114 HydrophobicContact CG-CB 4.24Å; R89-F114 HydrophobicContact CG-CD1 4.46Å; L90-F114 PolarHBondContact N-O 3.3Å |
| 115 | L | 96.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.7 | 168.6 | -53.4 | 175.5 | 0 | 0 | 0 | 106.9 | L90 L112 F120 L131 L136 V143 F144 | L90-L115 HydrophobicContact CB-CD2 3.68Å; L90-L115 HydrophobicContact CD2-CD2 4.15Å; L112-L115 HydrophobicContact CD1-CD2 4.46Å; L115-F120 HydrophobicContact CD1-CE2 4.49Å; L115-L131 HydrophobicContact CD1-CD1 3.94Å; L115-L131 HydrophobicContact CD2-CD2 4.29Å; L115-L136 HydrophobicContact CD1-CD1 4.09Å; L115-L136 HydrophobicContact CD1-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CD2 4.25Å; L115-L136 HydrophobicContact CG-CD2 3.9Å; L115-V143 HydrophobicContact CB-CG2 4.01Å; L115-V143 HydrophobicContact CD1-CG2 4.39Å; L115-F144 HydrophobicContact CD1-CE1 4.35Å |
| 116 | S | 94.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | trans | -73.2 | 141.4 | 167.8 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | L90 E118 A119 | L90-S116 PolarHBondContact O-N 3.41Å; S116-E118 PolarHBondContact O-N 3.32Å; S116-E118 VanDerWaalsContact O-N 3.17Å; S116-E118 PolarHBondContact OG-N 2.78Å; S116-A119 WeakPolarHBondContact O-CB 3.45Å; S116-A119 PolarHBondContact O-N 2.84Å | ||
| 117 | S | 90.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.7 | 170.3 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 118 | E | 93.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 51.1 Ų | 51.1 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.6 | 177.5 | -70.1 | 179.8 | 168.9 | 0 | 0 | 113.9 | S116 F120 T121 | S116-E118 PolarHBondContact O-N 3.32Å; S116-E118 VanDerWaalsContact O-N 3.17Å; S116-E118 PolarHBondContact OG-N 2.78Å; E118-F120 PolarHBondContact O-N 3.42Å; E118-F120 VanDerWaalsContact O-N 3.07Å; E118-T121 HydrophobicContact CB-CG2 4.01Å; E118-T121 HydrophobicContact CG-CG2 4.35Å; E118-T121 WeakPolarHBondContact O-CB 3.24Å; E118-T121 WeakPolarHBondContact O-CG2 3.49Å; E118-T121 PolarHBondContact O-N 3.25Å; E118-T121 PolarHBondContact O-OG1 3.22Å |
| 119 | A | 95.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L90 W94 S116 | L90-A119 HydrophobicContact CD2-CB 4Å; L90-A119 HydrophobicContact CG-CB 4.08Å; W94-A119 PolarHBondContact NE1-O 3.25Å; S116-A119 WeakPolarHBondContact O-CB 3.45Å; S116-A119 PolarHBondContact O-N 2.84Å |
| 120 | F | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.2 | -177.2 | -57.9 | -69.4 | 0 | 0 | 0 | 114.4 | L90 L105 L115 E118 N122 V123 L126 L129 L131 V143 F144 P146 L147 | L90-F120 HydrophobicContact CD2-CE1 3.9Å; L90-F120 HydrophobicContact CD2-CZ 3.86Å; L105-F120 HydrophobicContact CD2-CE1 4.46Å; L115-F120 HydrophobicContact CD1-CE2 4.49Å; E118-F120 PolarHBondContact O-N 3.42Å; E118-F120 VanDerWaalsContact O-N 3.07Å; F120-N122 VanDerWaalsContact C-N 3.26Å; F120-N122 PolarHBondContact O-N 3.33Å; F120-V123 HydrophobicContact CB-CG2 4.14Å; F120-V123 HydrophobicContact CD1-CG2 3.98Å; F120-V123 WeakPolarHBondContact O-CG2 3.29Å; F120-V123 PolarHBondContact O-N 3.07Å; F120-V123 VanDerWaalsContact O-N 3.13Å; F120-L126 HydrophobicContact CD1-CD1 4.4Å; F120-L129 HydrophobicContact CD1-CD2 4.32Å; F120-L129 HydrophobicContact CE1-CD1 4.13Å; F120-L129 HydrophobicContact CE1-CD2 3.66Å; F120-L129 HydrophobicContact CZ-CD2 3.78Å; F120-L131 HydrophobicContact CZ-CD1 4.41Å; F120-V143 VanDerWaalsContact CD2-O 3.32Å; F120-V143 WeakPolarHBondContact CD2-O 2.97Å; F120-F144 HydrophobicContact CD2-CD1 4.25Å; F120-F144 AromaticContact CE2-CD1 3.89Å; F120-F144 HydrophobicContact CE2-CD1 3.89Å; F120-F144 AromaticContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CZ-CE1 4.36Å; F120-P146 HydrophobicContact CB-CB 4.24Å; F120-P146 HydrophobicContact CB-CG 4.24Å; F120-L147 HydrophobicContact CB-CD1 4.18Å; F120-L147 HydrophobicContact CB-CD2 3.72Å; F120-L147 HydrophobicContact CB-CG 3.86Å; F120-L147 HydrophobicContact CD1-CD1 4.06Å; F120-L147 HydrophobicContact CD1-CD2 4.32Å; F120-L147 HydrophobicContact CD2-CD1 4.18Å; F120-L147 HydrophobicContact CG-CD1 3.85Å; F120-L147 HydrophobicContact CG-CD2 4.17Å; F120-L147 HydrophobicContact CG-CG 4.11Å |
| 121 | T | 95.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.9 | -176.8 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | E118 K124 P146 | E118-T121 HydrophobicContact CB-CG2 4.01Å; E118-T121 HydrophobicContact CG-CG2 4.35Å; E118-T121 WeakPolarHBondContact O-CB 3.24Å; E118-T121 WeakPolarHBondContact O-CG2 3.49Å; E118-T121 PolarHBondContact O-N 3.25Å; E118-T121 PolarHBondContact O-OG1 3.22Å; T121-K124 WeakPolarHBondContact O-CE 3.27Å; T121-K124 VanDerWaalsContact O-CG 3.27Å; T121-K124 WeakPolarHBondContact O-CG 3.29Å; T121-P146 HydrophobicContact CG2-CG 4.24Å |
| 122 | N | 95.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -2.5 | -179 | -83.7 | -25.7 | 0 | 0 | 0 | 114.7 | T95 K98 L99 F120 | T95-N122 HydrophobicContact CG2-CB 3.86Å; T95-N122 PolarHBondContact O-ND2 3.25Å; K98-N122 WeakPolarHBondContact CA-O 3.45Å; L99-N122 PolarHBondContact N-O 3.32Å; F120-N122 VanDerWaalsContact C-N 3.26Å; F120-N122 PolarHBondContact O-N 3.33Å |
| 123 | V | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -130.7 | 38.2 | -172.3 | -65.8 | 0 | 0 | 0 | 0 | 113 | W94 T95 L99 L102 F120 Q125 L126 | W94-V123 HydrophobicContact CH2-CG1 4.09Å; W94-V123 HydrophobicContact CZ2-CG1 3.83Å; W94-V123 HydrophobicContact CZ2-CG2 4.25Å; T95-V123 HydrophobicContact CG2-CG1 4.39Å; L99-V123 HydrophobicContact CB-CG1 4.31Å; L99-V123 HydrophobicContact CD1-CG1 4.36Å; L102-V123 HydrophobicContact CD2-CB 4.21Å; L102-V123 HydrophobicContact CD2-CG1 3.66Å; F120-V123 HydrophobicContact CB-CG2 4.14Å; F120-V123 HydrophobicContact CD1-CG2 3.98Å; F120-V123 WeakPolarHBondContact O-CG2 3.29Å; F120-V123 PolarHBondContact O-N 3.07Å; F120-V123 VanDerWaalsContact O-N 3.13Å; V123-Q125 PolarHBondContact O-N 3.21Å; V123-L126 HydrophobicContact CB-CD1 3.99Å; V123-L126 HydrophobicContact CB-CG 4.14Å; V123-L126 HydrophobicContact CG2-CD1 3.67Å; V123-L126 HydrophobicContact CG2-CG 4.35Å; V123-L126 WeakPolarHBondContact O-CG 3.29Å; V123-L126 PolarHBondContact O-N 3.37Å | ||
| 124 | K | 96.1 | Very high | 96.8 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 6.3 | -173.5 | -47.9 | -161.4 | -179.7 | -163.1 | 0 | 116.8 | T121 P146 H149 | T121-K124 WeakPolarHBondContact O-CE 3.27Å; T121-K124 VanDerWaalsContact O-CG 3.27Å; T121-K124 WeakPolarHBondContact O-CG 3.29Å; K124-P146 HydrophobicContact CD-CB 4.29Å; K124-P146 HydrophobicContact CG-CB 4.15Å; K124-H149 PolarHBondContact O-ND1 3.21Å |
| 125 | Q | 97.3 | Very high | 96.9 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 34% | 0.341 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 6.9 | 178.8 | -65.8 | -63.7 | -41.4 | 0 | 0 | 112.5 | P100 L102 H103 V123 R127 H149 | P100-Q125 WeakPolarHBondContact O-CG 3.3Å; L102-Q125 CarbonylContact O-C 3.54Å; H103-Q125 PolarHBondContact CD2-O 3.4Å; H103-Q125 VanDerWaalsContact CD2-O 3.28Å; V123-Q125 PolarHBondContact O-N 3.21Å; Q125-R127 PolarHBondContact O-N 3.13Å; Q125-H149 PolarHBondContact NE2-CE1 2.99Å; Q125-H149 VanDerWaalsContact NE2-CE1 3.28Å; Q125-H149 PolarHBondContact NE2-ND1 3.42Å |
| 126 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -58.4 | 131.8 | 171.5 | -72.7 | 173.9 | 0 | 0 | 0 | 110.9 | L102 H103 L105 F120 V123 L147 H149 L150 | L102-L126 HydrophobicContact CD2-CD2 3.92Å; L102-L126 HydrophobicContact CG-CD2 3.84Å; L102-L126 PolarHBondContact O-N 3.47Å; H103-L126 CarbonylContact O-C 3.48Å; H103-L126 WeakPolarHBondContact O-CA 3.15Å; H103-L126 WeakPolarHBondContact O-CD2 3.34Å; L105-L126 HydrophobicContact CB-CD1 4.04Å; L105-L126 HydrophobicContact CB-CD2 3.64Å; L105-L126 HydrophobicContact CD2-CD1 4.06Å; F120-L126 HydrophobicContact CD1-CD1 4.4Å; V123-L126 HydrophobicContact CB-CD1 3.99Å; V123-L126 HydrophobicContact CB-CG 4.14Å; V123-L126 HydrophobicContact CG2-CD1 3.67Å; V123-L126 HydrophobicContact CG2-CG 4.35Å; V123-L126 WeakPolarHBondContact O-CG 3.29Å; V123-L126 PolarHBondContact O-N 3.37Å; L126-L147 HydrophobicContact CB-CD2 4.14Å; L126-L147 HydrophobicContact CD1-CD2 4.07Å; L126-H149 CarbonylContact O-C 3.52Å; L126-H149 VanDerWaalsContact O-C 3.27Å; L126-L150 HydrophobicContact CB-CD1 3.83Å; L126-L150 WeakPolarHBondContact O-CA 3.49Å; L126-L150 PolarHBondContact O-N 3.36Å | ||
| 127 | R | 98.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 41 Ų | 41 | 44% | 0.438 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -105.9 | -30.3 | 169.2 | -66.5 | 172.1 | -176.1 | -112.6 | 8.9 | 111.2 | H103 Q125 E151 V152 | H103-R127 PolarHBondContact CD2-NE 2.04Å; H103-R127 PolarHBondContact O-N 2.92Å; Q125-R127 PolarHBondContact O-N 3.13Å; R127-E151 HydrophobicContact CB-CG 4.32Å; R127-E151 VanDerWaalsContact CD-OE1 3.26Å; R127-E151 WeakPolarHBondContact CD-OE1 3.36Å; R127-E151 HydrophobicContact CG-CG 4.5Å; R127-E151 WeakPolarHBondContact CG-OE1 3.39Å; R127-E151 IonicContact CZ-OE1 3.59Å; R127-E151 IonicContact NE-OE1 3.77Å; R127-E151 IonicContact NH1-OE1 2.7Å; R127-E151 PolarHBondContact NH1-OE1 2.88Å; R127-E151 PolarHBondContact O-N 3.18Å; R127-V152 PolarHBondContact O-N 2.96Å |
| 128 | Y | 98.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 42 Ų | 42 | 31% | 0.306 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.1 | -177.8 | -169.7 | -82.2 | 0 | 0 | 0 | 110.6 | H103 N104 L105 L106 D130 V152 L154 | H103-Y128 PolarHBondContact O-N 2.87Å; N104-Y128 WeakPolarHBondContact CA-O 3.44Å; L105-Y128 PolarHBondContact N-O 3.44Å; L106-Y128 HydrophobicContact CD2-CD1 3.78Å; L106-Y128 HydrophobicContact CD2-CE1 3.51Å; Y128-D130 HydrophobicContact CE1-CB 3.96Å; Y128-V152 HydrophobicContact CD2-CB 3.76Å; Y128-V152 HydrophobicContact CD2-CG1 3.93Å; Y128-V152 HydrophobicContact CD2-CG2 4.25Å; Y128-V152 HydrophobicContact CE2-CB 4.22Å; Y128-V152 HydrophobicContact CE2-CG1 3.87Å; Y128-L154 HydrophobicContact CE1-CD1 4.26Å; Y128-L154 VanDerWaalsContact OH-CD1 3.28Å; Y128-L154 WeakPolarHBondContact OH-CD1 3.42Å |
| 129 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 117.5 | 177.1 | 175.7 | 57.3 | 0 | 0 | 0 | 109.8 | L105 F120 L131 F144 L147 L150 V152 L153 L154 | L105-L129 HydrophobicContact CB-CD1 4.09Å; L105-L129 HydrophobicContact CD2-CD1 3.98Å; L105-L129 HydrophobicContact CG-CD1 4Å; F120-L129 HydrophobicContact CD1-CD2 4.32Å; F120-L129 HydrophobicContact CE1-CD1 4.13Å; F120-L129 HydrophobicContact CE1-CD2 3.66Å; F120-L129 HydrophobicContact CZ-CD2 3.78Å; L129-L131 HydrophobicContact CD1-CD1 4.32Å; L129-L131 HydrophobicContact CD1-CG 4.05Å; L129-L131 HydrophobicContact CD2-CD1 3.91Å; L129-L131 HydrophobicContact CD2-CG 4.5Å; L129-L131 HydrophobicContact CG-CD1 4Å; L129-L131 HydrophobicContact CG-CG 4.07Å; L129-F144 HydrophobicContact CD2-CD1 4.4Å; L129-F144 HydrophobicContact CD2-CE1 4.24Å; L129-L147 HydrophobicContact CD2-CD1 3.69Å; L129-L150 HydrophobicContact CB-CD1 3.77Å; L129-L150 HydrophobicContact CB-CD2 4.14Å; L129-V152 PolarHBondContact N-O 2.79Å; L129-V152 VanDerWaalsContact N-O 3.09Å; L129-L153 HydrophobicContact CB-CD1 4.13Å; L129-L153 HydrophobicContact CD2-CD1 3.98Å; L129-L153 HydrophobicContact CG-CD1 3.98Å; L129-L154 PolarHBondContact O-N 3.48Å |
| 130 | D | 98.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 108.4 | 176.9 | -177.4 | 15.4 | 0 | 0 | 0 | 111.6 | L105 L106 L107 S108 Y128 S132 L154 | L105-D130 PolarHBondContact O-N 3.21Å; L106-D130 HydrophobicContact CD2-CB 3.97Å; L107-D130 CarbonylContact C-O 3.37Å; L107-D130 WeakPolarHBondContact CA-O 3.29Å; L107-D130 WeakPolarHBondContact CB-O 3.24Å; L107-D130 PolarHBondContact N-O 3.36Å; S108-D130 VanDerWaalsContact CB-CG 3.49Å; S108-D130 WeakPolarHBondContact CB-OD2 3.08Å; S108-D130 PolarHBondContact N-O 3.43Å; S108-D130 PolarHBondContact OG-OD2 2.76Å; Y128-D130 HydrophobicContact CE1-CB 3.96Å; D130-S132 WeakPolarHBondContact OD1-CB 3.05Å; D130-S132 PolarHBondContact OD1-N 3.13Å; D130-S132 PolarHBondContact OD1-OG 3.19Å; D130-L154 HydrophobicContact CB-CB 4.37Å; D130-L154 HydrophobicContact CB-CD1 3.99Å; D130-L154 HydrophobicContact CB-CG 4.49Å; D130-L154 WeakPolarHBondContact OD1-CB 3.35Å |
| 131 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -115.6 | 17.6 | 175.1 | -69.6 | 166.1 | 0 | 0 | 0 | 111 | L107 L112 L115 F120 L129 N134 L136 F144 L153 L154 L155 N158 | L107-L131 HydrophobicContact CB-CD2 3.98Å; L107-L131 HydrophobicContact CD1-CD2 3.95Å; L112-L131 HydrophobicContact CD1-CD2 3.7Å; L115-L131 HydrophobicContact CD1-CD1 3.94Å; L115-L131 HydrophobicContact CD2-CD2 4.29Å; F120-L131 HydrophobicContact CZ-CD1 4.41Å; L129-L131 HydrophobicContact CD1-CD1 4.32Å; L129-L131 HydrophobicContact CD1-CG 4.05Å; L129-L131 HydrophobicContact CD2-CD1 3.91Å; L129-L131 HydrophobicContact CD2-CG 4.5Å; L129-L131 HydrophobicContact CG-CD1 4Å; L129-L131 HydrophobicContact CG-CG 4.07Å; L131-N134 WeakPolarHBondContact O-CB 3.49Å; L131-N134 PolarHBondContact O-ND2 3.07Å; L131-L136 HydrophobicContact CB-CD1 4.32Å; L131-F144 HydrophobicContact CD1-CE1 4.02Å; L131-F144 HydrophobicContact CD1-CZ 4.35Å; L131-L153 HydrophobicContact CD1-CD1 4.48Å; L131-L154 CarbonylContact C-O 3.2Å; L131-L154 WeakPolarHBondContact CA-O 3.26Å; L131-L154 WeakPolarHBondContact CB-O 3.2Å; L131-L154 PolarHBondContact N-O 3.36Å; L131-L155 HydrophobicContact CB-CD2 3.72Å; L131-L155 HydrophobicContact CD1-CD2 3.98Å; L131-N158 PolarHBondContact O-ND2 3.31Å | ||
| 132 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -68.4 | 164 | -178.4 | 66 | 0 | 0 | 0 | 0 | 113.2 | S108 H109 D130 N134 L154 Y156 | S108-S132 WeakPolarHBondContact CA-O 3.25Å; S108-S132 WeakPolarHBondContact CB-O 3.14Å; S108-S132 VanDerWaalsContact CB-OG 3.29Å; S108-S132 WeakPolarHBondContact CB-OG 3.41Å; H109-S132 PolarHBondContact N-O 3.36Å; D130-S132 WeakPolarHBondContact OD1-CB 3.05Å; D130-S132 PolarHBondContact OD1-N 3.13Å; D130-S132 PolarHBondContact OD1-OG 3.19Å; S132-N134 VanDerWaalsContact C-N 3.31Å; S132-N134 PolarHBondContact O-N 3.32Å; S132-N134 PolarHBondContact O-ND2 2.87Å; S132-L154 PolarHBondContact N-O 3.04Å; S132-Y156 CarbonylContact C-O 3.49Å; S132-Y156 WeakPolarHBondContact CA-O 3.19Å; S132-Y156 VanDerWaalsContact CB-CE1 3.44Å; S132-Y156 WeakPolarHBondContact CB-O 3.07Å; S132-Y156 PolarHBondContact OG-OH 2.88Å | ||
| 133 | S | 98.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 53.8 | 45.6 | 177.7 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | H109 Y156 N157 | H109-S133 VanDerWaalsContact CA-O 3.26Å; H109-S133 WeakPolarHBondContact CA-O 3.47Å; H109-S133 VanDerWaalsContact CE1-CB 3.48Å; H109-S133 WeakPolarHBondContact CE1-CB 3.48Å; H109-S133 PolarHBondContact CE1-OG 2.94Å; H109-S133 PolarHBondContact N-O 3.39Å; H109-S133 PolarHBondContact NE2-OG 3.06Å; S133-Y156 PolarHBondContact N-O 3.45Å; S133-N157 CarbonylContact C-O 3.46Å; S133-N157 WeakPolarHBondContact CA-O 3.35Å; S133-N157 PolarHBondContact N-O 3.45Å; S133-N157 PolarHBondContact OG-ND2 2.99Å |
| 134 | N | 98.8 | Very high | 97.1 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -124.7 | -163.8 | -177.3 | -91.8 | -78.5 | 0 | 0 | 0 | 110.9 | L107 N110 L112 L131 S132 N157 N158 | L107-N134 PolarHBondContact O-ND2 2.84Å; N110-N134 WeakPolarHBondContact CA-OD1 3.48Å; N110-N134 WeakPolarHBondContact CB-OD1 3.28Å; N110-N134 PolarHBondContact O-OD1 3.15Å; L112-N134 HydrophobicContact CB-CB 4.28Å; L112-N134 WeakPolarHBondContact CB-OD1 3.41Å; L112-N134 WeakPolarHBondContact CG-OD1 3.48Å; L112-N134 PolarHBondContact N-OD1 3.34Å; L131-N134 WeakPolarHBondContact O-CB 3.49Å; L131-N134 PolarHBondContact O-ND2 3.07Å; S132-N134 VanDerWaalsContact C-N 3.31Å; S132-N134 PolarHBondContact O-N 3.32Å; S132-N134 PolarHBondContact O-ND2 2.87Å; N134-N157 PolarHBondContact N-O 3.27Å; N134-N158 WeakPolarHBondContact CA-OD1 3.34Å; N134-N158 WeakPolarHBondContact CB-OD1 3.43Å; N134-N158 PolarHBondContact O-OD1 2.79Å |
| 135 | K | 98.4 | Very high | 97 | Very high | 72 Ų | 72 | 45 Ų | 45 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | trans | -126.7 | 27 | -172.5 | -64.3 | 173.4 | -175 | 168.4 | 0 | 112.2 | N111 L112 R113 N158 | N111-K135 PolarHBondContact OD1-NZ 3.13Å; L112-K135 CarbonylContact O-C 3.58Å; L112-K135 VanDerWaalsContact O-CA 3.22Å; L112-K135 WeakPolarHBondContact O-CA 3.45Å; L112-K135 PolarHBondContact O-N 3.12Å; R113-K135 HydrophobicContact CG-CB 3.93Å; K135-N158 PolarHBondContact N-OD1 3.31Å | ||
| 136 | L | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | trans | -68.7 | 132.2 | 177.7 | -58.3 | 175.2 | 0 | 0 | 0 | 109.9 | L112 L115 L131 L155 N158 Q159 I160 | L112-L136 HydrophobicContact CB-CD2 4.17Å; L112-L136 PolarHBondContact O-N 2.85Å; L112-L136 VanDerWaalsContact O-N 3.08Å; L115-L136 HydrophobicContact CD1-CD1 4.09Å; L115-L136 HydrophobicContact CD1-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CD2 4.25Å; L115-L136 HydrophobicContact CG-CD2 3.9Å; L131-L136 HydrophobicContact CB-CD1 4.32Å; L136-L155 HydrophobicContact CD1-CD2 3.79Å; L136-N158 WeakPolarHBondContact CB-OD1 3.04Å; L136-N158 WeakPolarHBondContact CG-OD1 3.49Å; L136-N158 PolarHBondContact N-OD1 2.69Å; L136-Q159 CarbonylContact O-C 3.27Å; L136-Q159 WeakPolarHBondContact O-CA 3.23Å; L136-Q159 WeakPolarHBondContact O-CB 3.38Å; L136-Q159 PolarHBondContact O-N 2.66Å; L136-I160 HydrophobicContact CB-CG1 4.2Å; L136-I160 PolarHBondContact O-N 2.84Å | ||
| 137 | Q | 97.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | trans | -109.1 | -21.6 | -173 | -66.2 | -173.7 | -14.7 | 0 | 0 | 114.2 | Q159 I160 S161 | Q137-Q159 HydrophobicContact CG-CB 3.89Å; Q137-I160 WeakPolarHBondContact O-CA 3.33Å; Q137-S161 PolarHBondContact O-N 2.83Å; Q137-S161 PolarHBondContact O-OG 2.96Å | ||
| 138 | Q | 96 | Very high | 96.6 | Very high | 92 Ų | 92 | 39.3 Ų | 39.3 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 161.9 | 176 | 65.4 | -164.9 | 43.8 | 0 | 0 | 110.3 | D140 Q162 | Q138-D140 PolarHBondContact NE2-OD1 3.3Å; Q138-Q162 CarbonylContact C-O 3.52Å; Q138-Q162 VanDerWaalsContact CA-O 3.23Å; Q138-Q162 WeakPolarHBondContact CA-O 3.2Å; Q138-Q162 HydrophobicContact CB-CB 4.12Å |
| 139 | L | 95.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 112.1 | 167 | -57.8 | 175.6 | 0 | 0 | 0 | 107.8 | F144 L155 I160 Q162 I163 D164 A167 F168 L179 | L139-F144 HydrophobicContact CD1-CE2 4.43Å; L139-F144 HydrophobicContact CD2-CE2 4.14Å; L139-F144 HydrophobicContact CD2-CZ 4.15Å; L139-L155 HydrophobicContact CD1-CD1 3.82Å; L139-L155 HydrophobicContact CD2-CD1 4.09Å; L139-L155 HydrophobicContact CD2-CD2 4.3Å; L139-I160 HydrophobicContact CD1-CD1 4.34Å; L139-I160 HydrophobicContact CD2-CD1 4.05Å; L139-I160 HydrophobicContact CG-CD1 4.2Å; L139-I160 HydrophobicContact CG-CG2 4.21Å; L139-Q162 PolarHBondContact N-O 2.93Å; L139-I163 HydrophobicContact CD1-CD1 4.2Å; L139-I163 HydrophobicContact CD1-CG1 4Å; L139-I163 HydrophobicContact CD1-CG2 4.24Å; L139-I163 HydrophobicContact CG-CG1 4.37Å; L139-D164 PolarHBondContact O-N 2.94Å; L139-A167 HydrophobicContact CB-CB 4.29Å; L139-F168 HydrophobicContact CD1-CE1 4.37Å; L139-F168 HydrophobicContact CD1-CZ 3.73Å; L139-L179 HydrophobicContact CD1-CD2 4.28Å |
| 140 | D | 93.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | trans | -75.9 | 165.1 | -176.3 | -61.9 | -47.4 | 0 | 0 | 0 | 112.3 | Q138 V143 A167 | Q138-D140 PolarHBondContact NE2-OD1 3.3Å; D140-V143 WeakPolarHBondContact O-CG1 3.01Å; D140-V143 PolarHBondContact O-N 3.11Å; D140-A167 WeakPolarHBondContact O-CB 3.2Å | ||
| 141 | E | 92.9 | Very high | 96.3 | Very high | 119 Ų | 119 | 41.1 Ų | 41.1 | 56% | 0.556 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 139.4 | 175 | 62 | 175.7 | -178.5 | 0 | 0 | 111.4 | V143 | E141-V143 PolarHBondContact O-N 3.16Š|
| 142 | F | 93.1 | Very high | 96.3 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 10.6 | 175.5 | -45.6 | -69.1 | 0 | 0 | 0 | 116.4 | F144 E145 V169 | F142-F144 PolarHBondContact O-N 3.35Å; F142-E145 HydrophobicContact CB-CB 3.99Å; F142-E145 WeakPolarHBondContact O-CB 3.48Å; F142-E145 PolarHBondContact O-N 3.4Å; F142-V169 HydrophobicContact CD1-CG1 3.95Å; F142-V169 HydrophobicContact CE1-CG1 4.01Å |
| 143 | V | 95.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.8 | -174.4 | 71 | 0 | 0 | 0 | 0 | 114.2 | L115 F120 D140 E141 A167 | L115-V143 HydrophobicContact CB-CG2 4.01Å; L115-V143 HydrophobicContact CD1-CG2 4.39Å; F120-V143 VanDerWaalsContact CD2-O 3.32Å; F120-V143 WeakPolarHBondContact CD2-O 2.97Å; D140-V143 WeakPolarHBondContact O-CG1 3.01Å; D140-V143 PolarHBondContact O-N 3.11Å; E141-V143 PolarHBondContact O-N 3.16Å; V143-A167 HydrophobicContact CG1-CB 4.34Å |
| 144 | F | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 11 | 173.3 | -54.4 | -59.2 | 0 | 0 | 0 | 113.7 | L115 F120 L129 L131 L139 F142 P146 L147 L153 L155 F168 M171 | L115-F144 HydrophobicContact CD1-CE1 4.35Å; F120-F144 HydrophobicContact CD2-CD1 4.25Å; F120-F144 AromaticContact CE2-CD1 3.89Å; F120-F144 HydrophobicContact CE2-CD1 3.89Å; F120-F144 AromaticContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CZ-CE1 4.36Å; L129-F144 HydrophobicContact CD2-CD1 4.4Å; L129-F144 HydrophobicContact CD2-CE1 4.24Å; L131-F144 HydrophobicContact CD1-CE1 4.02Å; L131-F144 HydrophobicContact CD1-CZ 4.35Å; L139-F144 HydrophobicContact CD1-CE2 4.43Å; L139-F144 HydrophobicContact CD2-CE2 4.14Å; L139-F144 HydrophobicContact CD2-CZ 4.15Å; F142-F144 PolarHBondContact O-N 3.35Å; F144-P146 VanDerWaalsContact C-N 3.33Å; F144-P146 VanDerWaalsContact O-N 3.16Å; F144-L147 HydrophobicContact CB-CD1 4.24Å; F144-L147 HydrophobicContact CD1-CD1 3.95Å; F144-L147 VanDerWaalsContact O-CB 3.3Å; F144-L147 WeakPolarHBondContact O-CB 3.42Å; F144-L147 PolarHBondContact O-N 3.14Å; F144-L153 HydrophobicContact CD2-CD2 3.98Å; F144-L153 HydrophobicContact CE1-CD1 4.44Å; F144-L153 HydrophobicContact CE1-CD2 4.44Å; F144-L153 HydrophobicContact CE2-CD2 3.76Å; F144-L153 HydrophobicContact CG-CD2 4.43Å; F144-L153 HydrophobicContact CZ-CD1 4.42Å; F144-L153 HydrophobicContact CZ-CD2 4Å; F144-L155 HydrophobicContact CE2-CD1 4.13Å; F144-L155 HydrophobicContact CZ-CD1 4.06Å; F144-L155 HydrophobicContact CZ-CD2 4.45Å; F144-F168 HydrophobicContact CD2-CD1 4.15Å; F144-F168 HydrophobicContact CD2-CE1 4.14Å; F144-F168 HydrophobicContact CE2-CE1 4.14Å; F144-M171 HydrophobicContact CB-CE 4.12Å; F144-M171 HydrophobicContact CB-CG 4.47Å; F144-M171 HydrophobicContact CB-SD 3.53Å; F144-M171 VanDerWaalsContact CB-SD 3.53Å; F144-M171 HydrophobicContact CD2-SD 4.25Å; F144-M171 HydrophobicContact CG-SD 4.2Å |
| 145 | E | 93.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -40.5 | -175.8 | -169.9 | -156.7 | -158.4 | 0 | 0 | 114.3 | F142 L147 T170 | F142-E145 HydrophobicContact CB-CB 3.99Å; F142-E145 WeakPolarHBondContact O-CB 3.48Å; F142-E145 PolarHBondContact O-N 3.4Å; E145-L147 PolarHBondContact O-N 3.36Å; E145-L147 VanDerWaalsContact O-N 3.13Å; E145-T170 WeakPolarHBondContact CA-OG1 3.4Å; E145-T170 HydrophobicContact CG-CG2 3.62Å; E145-T170 PolarHBondContact O-OG1 2.93Å |
| 146 | P | 94.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.1 | 179.1 | -21.8 | 35.1 | 0 | 0 | 0 | 115.3 | F120 T121 K124 F144 V148 | F120-P146 HydrophobicContact CB-CB 4.24Å; F120-P146 HydrophobicContact CB-CG 4.24Å; T121-P146 HydrophobicContact CG2-CG 4.24Å; K124-P146 HydrophobicContact CD-CB 4.29Å; K124-P146 HydrophobicContact CG-CB 4.15Å; F144-P146 VanDerWaalsContact C-N 3.33Å; F144-P146 VanDerWaalsContact O-N 3.16Å; P146-V148 PolarHBondContact O-N 3.07Å |
| 147 | L | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -96.1 | 46.4 | -166.6 | -60.3 | -176.2 | 0 | 0 | 0 | 113.5 | F120 L126 L129 F144 E145 H149 L150 | F120-L147 HydrophobicContact CB-CD1 4.18Å; F120-L147 HydrophobicContact CB-CD2 3.72Å; F120-L147 HydrophobicContact CB-CG 3.86Å; F120-L147 HydrophobicContact CD1-CD1 4.06Å; F120-L147 HydrophobicContact CD1-CD2 4.32Å; F120-L147 HydrophobicContact CD2-CD1 4.18Å; F120-L147 HydrophobicContact CG-CD1 3.85Å; F120-L147 HydrophobicContact CG-CD2 4.17Å; F120-L147 HydrophobicContact CG-CG 4.11Å; L126-L147 HydrophobicContact CB-CD2 4.14Å; L126-L147 HydrophobicContact CD1-CD2 4.07Å; L129-L147 HydrophobicContact CD2-CD1 3.69Å; F144-L147 HydrophobicContact CB-CD1 4.24Å; F144-L147 HydrophobicContact CD1-CD1 3.95Å; F144-L147 VanDerWaalsContact O-CB 3.3Å; F144-L147 WeakPolarHBondContact O-CB 3.42Å; F144-L147 PolarHBondContact O-N 3.14Å; E145-L147 PolarHBondContact O-N 3.36Å; E145-L147 VanDerWaalsContact O-N 3.13Å; L147-H149 PolarHBondContact O-N 3.2Å; L147-H149 VanDerWaalsContact O-N 3.1Å; L147-L150 HydrophobicContact CB-CB 4.09Å; L147-L150 HydrophobicContact CD1-CD2 4.31Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 PolarHBondContact O-N 3.28Å | ||
| 148 | V | 94.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 34% | 0.339 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.9 | -177.3 | -172.8 | 0 | 0 | 0 | 0 | 113.1 | P146 V172 N173 | P146-V148 PolarHBondContact O-N 3.07Å; V148-V172 HydrophobicContact CG1-CG2 4.27Å; V148-N173 PolarHBondContact O-ND2 3.36Å |
| 149 | H | 96.4 | Very high | 96.5 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.2 | -179.7 | -54.1 | 99.9 | 0 | 0 | 0 | 114.2 | K124 Q125 L126 L147 E151 | K124-H149 PolarHBondContact O-ND1 3.21Å; Q125-H149 PolarHBondContact NE2-CE1 2.99Å; Q125-H149 VanDerWaalsContact NE2-CE1 3.28Å; Q125-H149 PolarHBondContact NE2-ND1 3.42Å; L126-H149 CarbonylContact O-C 3.52Å; L126-H149 VanDerWaalsContact O-C 3.27Å; L147-H149 PolarHBondContact O-N 3.2Å; L147-H149 VanDerWaalsContact O-N 3.1Å; H149-E151 PolarHBondContact O-N 3.08Å |
| 150 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -72.9 | 125 | -175.3 | -157.8 | 80.5 | 0 | 0 | 0 | 111.2 | L126 L129 L147 L153 M171 N173 L174 | L126-L150 HydrophobicContact CB-CD1 3.83Å; L126-L150 WeakPolarHBondContact O-CA 3.49Å; L126-L150 PolarHBondContact O-N 3.36Å; L129-L150 HydrophobicContact CB-CD1 3.77Å; L129-L150 HydrophobicContact CB-CD2 4.14Å; L147-L150 HydrophobicContact CB-CB 4.09Å; L147-L150 HydrophobicContact CD1-CD2 4.31Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 PolarHBondContact O-N 3.28Å; L150-L153 HydrophobicContact CD2-CB 3.8Å; L150-L153 HydrophobicContact CD2-CD1 4.26Å; L150-L153 HydrophobicContact CD2-CD2 4.46Å; L150-L153 HydrophobicContact CD2-CG 4.4Å; L150-M171 HydrophobicContact CB-CE 3.94Å; L150-M171 HydrophobicContact CD2-CE 3.39Å; L150-M171 HydrophobicContact CG-CE 4.28Å; L150-N173 CarbonylContact O-C 3.57Å; L150-L174 HydrophobicContact CD2-CD1 4.46Å; L150-L174 WeakPolarHBondContact O-CA 3.48Å; L150-L174 PolarHBondContact O-N 2.72Å; L150-L174 VanDerWaalsContact O-N 3.11Å | ||
| 151 | E | 97.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | trans | -99.1 | -33.4 | -179.8 | -62.1 | 171.7 | -146.3 | 0 | 0 | 111.3 | R127 H149 Q175 K176 | R127-E151 HydrophobicContact CB-CG 4.32Å; R127-E151 VanDerWaalsContact CD-OE1 3.26Å; R127-E151 WeakPolarHBondContact CD-OE1 3.36Å; R127-E151 HydrophobicContact CG-CG 4.5Å; R127-E151 WeakPolarHBondContact CG-OE1 3.39Å; R127-E151 IonicContact CZ-OE1 3.59Å; R127-E151 IonicContact NE-OE1 3.77Å; R127-E151 IonicContact NH1-OE1 2.7Å; R127-E151 PolarHBondContact NH1-OE1 2.88Å; R127-E151 PolarHBondContact O-N 3.18Å; H149-E151 PolarHBondContact O-N 3.08Å; E151-Q175 WeakPolarHBondContact O-CA 3.45Å; E151-Q175 WeakPolarHBondContact O-CB 3.47Å; E151-Q175 PolarHBondContact O-N 2.96Å; E151-K176 PolarHBondContact O-N 2.85Å; E151-K176 VanDerWaalsContact O-N 3.09Å | ||
| 152 | V | 98.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.9 | -177.9 | -177 | 0 | 0 | 0 | 0 | 111.3 | R127 Y128 L129 L154 K176 | R127-V152 PolarHBondContact O-N 2.96Å; Y128-V152 HydrophobicContact CD2-CB 3.76Å; Y128-V152 HydrophobicContact CD2-CG1 3.93Å; Y128-V152 HydrophobicContact CD2-CG2 4.25Å; Y128-V152 HydrophobicContact CE2-CB 4.22Å; Y128-V152 HydrophobicContact CE2-CG1 3.87Å; L129-V152 PolarHBondContact N-O 2.79Å; L129-V152 VanDerWaalsContact N-O 3.09Å; V152-L154 HydrophobicContact CG1-CD2 3.99Å; V152-L154 HydrophobicContact CG1-CG 4.35Å; V152-K176 HydrophobicContact CG1-CB 4.38Å; V152-K176 HydrophobicContact CG2-CB 4.3Å; V152-K176 HydrophobicContact CG2-CD 4.3Å; V152-K176 HydrophobicContact CG2-CG 4.46Å |
| 153 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.3 | 173.6 | 180 | 53.4 | 0 | 0 | 0 | 110.9 | L129 L131 F144 L150 L155 F168 M171 L174 K176 L177 Y178 | L129-L153 HydrophobicContact CB-CD1 4.13Å; L129-L153 HydrophobicContact CD2-CD1 3.98Å; L129-L153 HydrophobicContact CG-CD1 3.98Å; L131-L153 HydrophobicContact CD1-CD1 4.48Å; F144-L153 HydrophobicContact CD2-CD2 3.98Å; F144-L153 HydrophobicContact CE1-CD1 4.44Å; F144-L153 HydrophobicContact CE1-CD2 4.44Å; F144-L153 HydrophobicContact CE2-CD2 3.76Å; F144-L153 HydrophobicContact CG-CD2 4.43Å; F144-L153 HydrophobicContact CZ-CD1 4.42Å; F144-L153 HydrophobicContact CZ-CD2 4Å; L150-L153 HydrophobicContact CD2-CB 3.8Å; L150-L153 HydrophobicContact CD2-CD1 4.26Å; L150-L153 HydrophobicContact CD2-CD2 4.46Å; L150-L153 HydrophobicContact CD2-CG 4.4Å; L153-L155 HydrophobicContact CD1-CD1 4.23Å; L153-L155 HydrophobicContact CD1-CG 4.09Å; L153-L155 HydrophobicContact CD2-CD1 3.78Å; L153-L155 HydrophobicContact CG-CD1 3.86Å; L153-L155 HydrophobicContact CG-CG 4.07Å; L153-F168 HydrophobicContact CD2-CD1 4.45Å; L153-F168 HydrophobicContact CD2-CE1 4.06Å; L153-M171 HydrophobicContact CD2-CE 4.17Å; L153-L174 HydrophobicContact CB-CD1 3.98Å; L153-K176 PolarHBondContact N-O 2.04Å; L153-L177 HydrophobicContact CB-CD1 4.02Å; L153-L177 HydrophobicContact CD2-CD1 3.89Å; L153-L177 HydrophobicContact CG-CD1 3.95Å; L153-Y178 PolarHBondContact O-N 3.48Å |
| 154 | L | 98.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117 | 175.1 | -49.6 | 179.6 | 0 | 0 | 0 | 110.4 | Y128 L129 D130 L131 S132 V152 Y156 Y178 | Y128-L154 HydrophobicContact CE1-CD1 4.26Å; Y128-L154 VanDerWaalsContact OH-CD1 3.28Å; Y128-L154 WeakPolarHBondContact OH-CD1 3.42Å; L129-L154 PolarHBondContact O-N 3.48Å; D130-L154 HydrophobicContact CB-CB 4.37Å; D130-L154 HydrophobicContact CB-CD1 3.99Å; D130-L154 HydrophobicContact CB-CG 4.49Å; D130-L154 WeakPolarHBondContact OD1-CB 3.35Å; L131-L154 CarbonylContact C-O 3.2Å; L131-L154 WeakPolarHBondContact CA-O 3.26Å; L131-L154 WeakPolarHBondContact CB-O 3.2Å; L131-L154 PolarHBondContact N-O 3.36Å; S132-L154 PolarHBondContact N-O 3.04Å; V152-L154 HydrophobicContact CG1-CD2 3.99Å; V152-L154 HydrophobicContact CG1-CG 4.35Å; L154-Y156 HydrophobicContact CB-CD1 4.09Å; L154-Y156 HydrophobicContact CB-CE1 3.97Å; L154-Y156 HydrophobicContact CD1-CE1 4.08Å; L154-Y156 HydrophobicContact CD2-CD1 4.44Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CG-CE1 4.33Å; L154-Y178 HydrophobicContact CD2-CD2 3.3Å; L154-Y178 HydrophobicContact CD2-CE2 3.83Å; L154-Y178 HydrophobicContact CD2-CG 3.8Å |
| 155 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -129.4 | 12.1 | 177 | -74.8 | 165.5 | 0 | 0 | 0 | 111.8 | L131 L136 L139 F144 L153 N158 I160 L177 Y178 L179 N182 | L131-L155 HydrophobicContact CB-CD2 3.72Å; L131-L155 HydrophobicContact CD1-CD2 3.98Å; L136-L155 HydrophobicContact CD1-CD2 3.79Å; L139-L155 HydrophobicContact CD1-CD1 3.82Å; L139-L155 HydrophobicContact CD2-CD1 4.09Å; L139-L155 HydrophobicContact CD2-CD2 4.3Å; F144-L155 HydrophobicContact CE2-CD1 4.13Å; F144-L155 HydrophobicContact CZ-CD1 4.06Å; F144-L155 HydrophobicContact CZ-CD2 4.45Å; L153-L155 HydrophobicContact CD1-CD1 4.23Å; L153-L155 HydrophobicContact CD1-CG 4.09Å; L153-L155 HydrophobicContact CD2-CD1 3.78Å; L153-L155 HydrophobicContact CG-CD1 3.86Å; L153-L155 HydrophobicContact CG-CG 4.07Å; L155-N158 PolarHBondContact O-ND2 3.36Å; L155-I160 HydrophobicContact CB-CD1 4.03Å; L155-I160 HydrophobicContact CD2-CD1 4.22Å; L155-L177 HydrophobicContact CD1-CD1 4.44Å; L155-Y178 CarbonylContact C-O 3.59Å; L155-Y178 WeakPolarHBondContact CA-O 3.46Å; L155-Y178 WeakPolarHBondContact CB-O 3.48Å; L155-Y178 PolarHBondContact N-O 3.18Å; L155-L179 HydrophobicContact CB-CD2 3.77Å; L155-L179 HydrophobicContact CD1-CD2 3.95Å; L155-N182 PolarHBondContact O-ND2 2.94Å | ||
| 156 | Y | 98.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 44 Ų | 44 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | trans | -66.4 | 159.6 | -179.6 | 69 | -97.3 | 0 | 0 | 0 | 112.2 | S132 S133 L154 N158 Y178 S180 | S132-Y156 CarbonylContact C-O 3.49Å; S132-Y156 WeakPolarHBondContact CA-O 3.19Å; S132-Y156 VanDerWaalsContact CB-CE1 3.44Å; S132-Y156 WeakPolarHBondContact CB-O 3.07Å; S132-Y156 PolarHBondContact OG-OH 2.88Å; S133-Y156 PolarHBondContact N-O 3.45Å; L154-Y156 HydrophobicContact CB-CD1 4.09Å; L154-Y156 HydrophobicContact CB-CE1 3.97Å; L154-Y156 HydrophobicContact CD1-CE1 4.08Å; L154-Y156 HydrophobicContact CD2-CD1 4.44Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CG-CE1 4.33Å; Y156-N158 PolarHBondContact O-ND2 2.75Å; Y156-Y178 PolarHBondContact N-O 2.83Å; Y156-Y178 VanDerWaalsContact N-O 3.16Å; Y156-S180 CarbonylContact C-O 3.38Å; Y156-S180 WeakPolarHBondContact CA-O 3.39Å; Y156-S180 WeakPolarHBondContact CB-O 3.28Å; Y156-S180 WeakPolarHBondContact CB-OG 3.34Å | ||
| 157 | N | 98.7 | Very high | 95.8 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 53.1 | 57.4 | -177.8 | -172.3 | 30.8 | 0 | 0 | 0 | 112 | S133 N134 S180 Q181 | S133-N157 CarbonylContact C-O 3.46Å; S133-N157 WeakPolarHBondContact CA-O 3.35Å; S133-N157 PolarHBondContact N-O 3.45Å; S133-N157 PolarHBondContact OG-ND2 2.99Å; N134-N157 PolarHBondContact N-O 3.27Å; N157-S180 PolarHBondContact N-O 2.96Å; N157-Q181 VanDerWaalsContact CA-O 3.27Å; N157-Q181 WeakPolarHBondContact CA-O 3.49Å; N157-Q181 HydrophobicContact CB-CB 4.31Å; N157-Q181 PolarHBondContact N-O 3.1Å |
| 158 | N | 98.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -129.5 | -167.6 | 176.9 | -93.7 | -85.2 | 0 | 0 | 0 | 109.3 | L131 N134 K135 L136 L155 Y156 I160 Q181 N182 | L131-N158 PolarHBondContact O-ND2 3.31Å; N134-N158 WeakPolarHBondContact CA-OD1 3.34Å; N134-N158 WeakPolarHBondContact CB-OD1 3.43Å; N134-N158 PolarHBondContact O-OD1 2.79Å; K135-N158 PolarHBondContact N-OD1 3.31Å; L136-N158 WeakPolarHBondContact CB-OD1 3.04Å; L136-N158 WeakPolarHBondContact CG-OD1 3.49Å; L136-N158 PolarHBondContact N-OD1 2.69Å; L155-N158 PolarHBondContact O-ND2 3.36Å; Y156-N158 PolarHBondContact O-ND2 2.75Å; N158-I160 HydrophobicContact CB-CD1 4.11Å; N158-I160 HydrophobicContact CB-CG1 4.07Å; N158-Q181 PolarHBondContact N-O 3.19Å; N158-N182 VanDerWaalsContact CA-OD1 3.32Å; N158-N182 WeakPolarHBondContact CA-OD1 3.11Å; N158-N182 WeakPolarHBondContact CB-OD1 3.14Å; N158-N182 PolarHBondContact O-OD1 3.02Å |
| 159 | Q | 98.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | trans | -110.7 | 14.9 | -179.9 | -62.2 | -177.9 | 11.4 | 0 | 0 | 112.4 | L136 Q137 S161 N182 Q183 | L136-Q159 CarbonylContact O-C 3.27Å; L136-Q159 WeakPolarHBondContact O-CA 3.23Å; L136-Q159 WeakPolarHBondContact O-CB 3.38Å; L136-Q159 PolarHBondContact O-N 2.66Å; Q137-Q159 HydrophobicContact CG-CB 3.89Å; Q159-S161 PolarHBondContact O-N 3.08Å; Q159-N182 PolarHBondContact N-OD1 3.47Å; Q159-Q183 PolarHBondContact O-NE2 3.42Å; Q159-Q183 VanDerWaalsContact O-NE2 3.11Å | ||
| 160 | I | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -62.1 | 118.2 | -168.2 | -59.9 | 164.5 | 0 | 0 | 0 | 109.8 | L136 Q137 L139 L155 N158 Q162 I163 L179 N182 Q183 I184 | L136-I160 HydrophobicContact CB-CG1 4.2Å; L136-I160 PolarHBondContact O-N 2.84Å; Q137-I160 WeakPolarHBondContact O-CA 3.33Å; L139-I160 HydrophobicContact CD1-CD1 4.34Å; L139-I160 HydrophobicContact CD2-CD1 4.05Å; L139-I160 HydrophobicContact CG-CD1 4.2Å; L139-I160 HydrophobicContact CG-CG2 4.21Å; L155-I160 HydrophobicContact CB-CD1 4.03Å; L155-I160 HydrophobicContact CD2-CD1 4.22Å; N158-I160 HydrophobicContact CB-CD1 4.11Å; N158-I160 HydrophobicContact CB-CG1 4.07Å; I160-Q162 WeakPolarHBondContact CG2-O 3.42Å; I160-I163 HydrophobicContact CG2-CD1 4.02Å; I160-I163 HydrophobicContact CG2-CG1 3.61Å; I160-L179 HydrophobicContact CD1-CD2 4.14Å; I160-N182 HydrophobicContact CB-CB 4.34Å; I160-N182 VanDerWaalsContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.38Å; I160-N182 PolarHBondContact N-OD1 2.97Å; I160-Q183 CarbonylContact O-C 3.36Å; I160-Q183 VanDerWaalsContact O-C 3.27Å; I160-Q183 VanDerWaalsContact O-CA 3.3Å; I160-Q183 WeakPolarHBondContact O-CA 3.48Å; I160-Q183 PolarHBondContact O-N 3.11Å; I160-I184 HydrophobicContact CG2-CG1 4.46Å; I160-I184 PolarHBondContact O-N 3.06Å | ||
| 161 | S | 97.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | trans | -114.9 | -25.3 | -179.9 | 62.1 | 0 | 0 | 0 | 0 | 112.7 | Q137 Q159 | Q137-S161 PolarHBondContact O-N 2.83Å; Q137-S161 PolarHBondContact O-OG 2.96Å; Q159-S161 PolarHBondContact O-N 3.08Å | ||
| 162 | Q | 94.1 | Very high | 93.9 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 59% | 0.593 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.3 | -178.8 | -63.9 | -177.8 | 73.8 | 0 | 0 | 109.3 | Q138 L139 I160 | Q138-Q162 CarbonylContact C-O 3.52Å; Q138-Q162 VanDerWaalsContact CA-O 3.23Å; Q138-Q162 WeakPolarHBondContact CA-O 3.2Å; Q138-Q162 HydrophobicContact CB-CB 4.12Å; L139-Q162 PolarHBondContact N-O 2.93Å; I160-Q162 WeakPolarHBondContact CG2-O 3.42Å |
| 163 | I | 94.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 117.6 | -179.4 | -64 | -178 | 0 | 0 | 0 | 105.8 | L139 I160 F168 L179 I184 | L139-I163 HydrophobicContact CD1-CD1 4.2Å; L139-I163 HydrophobicContact CD1-CG1 4Å; L139-I163 HydrophobicContact CD1-CG2 4.24Å; L139-I163 HydrophobicContact CG-CG1 4.37Å; I160-I163 HydrophobicContact CG2-CD1 4.02Å; I160-I163 HydrophobicContact CG2-CG1 3.61Å; I163-F168 HydrophobicContact CG2-CE2 3.59Å; I163-F168 HydrophobicContact CG2-CZ 4.14Å; I163-L179 HydrophobicContact CD1-CD1 3.95Å; I163-L179 HydrophobicContact CD1-CD2 4.17Å; I163-I184 HydrophobicContact CD1-CD1 3.69Å; I163-I184 HydrophobicContact CD1-CG1 4.1Å |
| 164 | D | 91.9 | Very high | 93.5 | Very high | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | trans | -71.7 | 147.8 | 172.3 | -172.7 | -108.4 | 0 | 0 | 0 | 111.5 | L139 S166 A167 | L139-D164 PolarHBondContact O-N 2.94Å; D164-S166 PolarHBondContact O-N 3.4Å; D164-S166 WeakPolarHBondContact OD1-CA 3.17Å; D164-S166 WeakPolarHBondContact OD1-CB 3.43Å; D164-S166 PolarHBondContact OD1-N 3.4Å; D164-S166 PolarHBondContact OD1-OG 3.4Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 3.3Å | ||
| 165 | R | 82.5 | Confident | 93.3 | Very high | 159 Ų | 159 | 45.8 Ų | 45.8 | 60% | 0.6 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -28.2 | 178.8 | -68.6 | 176.9 | 170.9 | 138.9 | -8.2 | 112.7 | E190 | R165-E190 HydrophobicContact CG-CG 4.25Å; R165-E190 IonicContact CZ-OE1 3.25Å; R165-E190 VanDerWaalsContact CZ-OE1 3.25Å; R165-E190 IonicContact NE-OE1 2.86Å; R165-E190 PolarHBondContact NE-OE1 3.35Å; R165-E190 IonicContact NH2-OE1 2.75Å; R165-E190 PolarHBondContact NH2-OE1 2.9Å |
| 166 | S | 89.4 | Confident | 93.2 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.7 | -174.9 | -31.5 | 0 | 0 | 0 | 0 | 112.7 | D164 F168 V169 | D164-S166 PolarHBondContact O-N 3.4Å; D164-S166 WeakPolarHBondContact OD1-CA 3.17Å; D164-S166 WeakPolarHBondContact OD1-CB 3.43Å; D164-S166 PolarHBondContact OD1-N 3.4Å; D164-S166 PolarHBondContact OD1-OG 3.4Å; S166-F168 PolarHBondContact O-N 2.89Å; S166-F168 VanDerWaalsContact O-N 3.11Å; S166-V169 WeakPolarHBondContact O-CB 3.45Å; S166-V169 WeakPolarHBondContact O-CG1 3.24Å; S166-V169 PolarHBondContact O-N 3.32Å |
| 167 | A | 91.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L139 D140 V143 D164 | L139-A167 HydrophobicContact CB-CB 4.29Å; D140-A167 WeakPolarHBondContact O-CB 3.2Å; V143-A167 HydrophobicContact CG1-CB 4.34Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 3.3Å |
| 168 | F | 90.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 11.2 | -177.1 | -45.1 | -83.2 | 0 | 0 | 0 | 114.1 | L139 F144 L153 I163 S166 T170 M171 L177 L191 | L139-F168 HydrophobicContact CD1-CE1 4.37Å; L139-F168 HydrophobicContact CD1-CZ 3.73Å; F144-F168 HydrophobicContact CD2-CD1 4.15Å; F144-F168 HydrophobicContact CD2-CE1 4.14Å; F144-F168 HydrophobicContact CE2-CE1 4.14Å; L153-F168 HydrophobicContact CD2-CD1 4.45Å; L153-F168 HydrophobicContact CD2-CE1 4.06Å; I163-F168 HydrophobicContact CG2-CE2 3.59Å; I163-F168 HydrophobicContact CG2-CZ 4.14Å; S166-F168 PolarHBondContact O-N 2.89Å; S166-F168 VanDerWaalsContact O-N 3.11Å; F168-T170 VanDerWaalsContact C-N 3.27Å; F168-T170 PolarHBondContact O-N 3.47Å; F168-M171 HydrophobicContact CB-CG 4.42Å; F168-M171 HydrophobicContact CB-SD 3.92Å; F168-M171 HydrophobicContact CD1-SD 3.73Å; F168-M171 HydrophobicContact CG-SD 4.31Å; F168-M171 WeakPolarHBondContact O-CB 3.49Å; F168-M171 WeakPolarHBondContact O-CG 3.28Å; F168-M171 PolarHBondContact O-N 2.79Å; F168-L177 HydrophobicContact CD1-CD2 4.33Å; F168-L177 HydrophobicContact CE1-CD1 4.08Å; F168-L177 HydrophobicContact CE1-CD2 3.86Å; F168-L177 HydrophobicContact CZ-CD2 3.97Å; F168-L191 HydrophobicContact CD2-CD2 3.61Å; F168-L191 HydrophobicContact CE2-CD1 4.39Å; F168-L191 HydrophobicContact CE2-CD2 4.08Å; F168-L191 HydrophobicContact CG-CD2 4.36Å |
| 169 | V | 85.7 | Confident | 93.1 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.6 | -160.1 | 73.2 | 0 | 0 | 0 | 0 | 115.9 | F142 S166 | F142-V169 HydrophobicContact CD1-CG1 3.95Å; F142-V169 HydrophobicContact CE1-CG1 4.01Å; S166-V169 WeakPolarHBondContact O-CB 3.45Å; S166-V169 WeakPolarHBondContact O-CG1 3.24Å; S166-V169 PolarHBondContact O-N 3.32Å |
| 170 | T | 87.3 | Confident | 93.2 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 0.5 | 178.8 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | E145 F168 V172 | E145-T170 WeakPolarHBondContact CA-OG1 3.4Å; E145-T170 HydrophobicContact CG-CG2 3.62Å; E145-T170 PolarHBondContact O-OG1 2.93Å; F168-T170 VanDerWaalsContact C-N 3.27Å; F168-T170 PolarHBondContact O-N 3.47Å; T170-V172 PolarHBondContact O-N 3.21Å |
| 171 | M | 90.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -84.7 | 49.4 | -166.3 | -57.7 | -175.4 | 74.3 | 0 | 0 | 112.9 | F144 L150 L153 F168 N173 L174 L198 | F144-M171 HydrophobicContact CB-CE 4.12Å; F144-M171 HydrophobicContact CB-CG 4.47Å; F144-M171 HydrophobicContact CB-SD 3.53Å; F144-M171 VanDerWaalsContact CB-SD 3.53Å; F144-M171 HydrophobicContact CD2-SD 4.25Å; F144-M171 HydrophobicContact CG-SD 4.2Å; L150-M171 HydrophobicContact CB-CE 3.94Å; L150-M171 HydrophobicContact CD2-CE 3.39Å; L150-M171 HydrophobicContact CG-CE 4.28Å; L153-M171 HydrophobicContact CD2-CE 4.17Å; F168-M171 HydrophobicContact CB-CG 4.42Å; F168-M171 HydrophobicContact CB-SD 3.92Å; F168-M171 HydrophobicContact CD1-SD 3.73Å; F168-M171 HydrophobicContact CG-SD 4.31Å; F168-M171 WeakPolarHBondContact O-CB 3.49Å; F168-M171 WeakPolarHBondContact O-CG 3.28Å; F168-M171 PolarHBondContact O-N 2.79Å; M171-N173 PolarHBondContact O-N 3.4Å; M171-L174 HydrophobicContact CB-CB 4.05Å; M171-L174 HydrophobicContact CB-CD2 4.42Å; M171-L174 HydrophobicContact CE-CD1 4.21Å; M171-L174 HydrophobicContact CE-CD2 4.11Å; M171-L174 WeakPolarHBondContact O-CB 3.38Å; M171-L174 PolarHBondContact O-N 2.9Å; M171-L174 HydrophobicContact SD-CD2 4.4Å; M171-L198 HydrophobicContact CB-CD2 4.12Å; M171-L198 VanDerWaalsContact O-CD2 3.32Å; M171-L198 WeakPolarHBondContact O-CD2 3.17Å | ||
| 172 | V | 89.9 | Confident | 93.2 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.5 | -172.2 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | V148 T170 N200 | V148-V172 HydrophobicContact CG1-CG2 4.27Å; T170-V172 PolarHBondContact O-N 3.21Å; V172-N200 PolarHBondContact O-ND2 2.59Å |
| 173 | N | 93.4 | Very high | 93.4 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.1 | 177.1 | -66.6 | -59.4 | 0 | 0 | 0 | 114 | V148 L150 M171 Q175 | V148-N173 PolarHBondContact O-ND2 3.36Å; L150-N173 CarbonylContact O-C 3.57Å; M171-N173 PolarHBondContact O-N 3.4Å; N173-Q175 PolarHBondContact O-N 3.17Å |
| 174 | L | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -68.4 | 114.5 | -176.3 | -175.5 | 66.1 | 0 | 0 | 0 | 110.9 | L150 L153 M171 L177 L198 N200 L201 | L150-L174 HydrophobicContact CD2-CD1 4.46Å; L150-L174 WeakPolarHBondContact O-CA 3.48Å; L150-L174 PolarHBondContact O-N 2.72Å; L150-L174 VanDerWaalsContact O-N 3.11Å; L153-L174 HydrophobicContact CB-CD1 3.98Å; M171-L174 HydrophobicContact CB-CB 4.05Å; M171-L174 HydrophobicContact CB-CD2 4.42Å; M171-L174 HydrophobicContact CE-CD1 4.21Å; M171-L174 HydrophobicContact CE-CD2 4.11Å; M171-L174 WeakPolarHBondContact O-CB 3.38Å; M171-L174 PolarHBondContact O-N 2.9Å; M171-L174 HydrophobicContact SD-CD2 4.4Å; L174-L177 HydrophobicContact CD2-CB 4.26Å; L174-L177 HydrophobicContact CD2-CD2 4.43Å; L174-L198 HydrophobicContact CB-CD2 4.46Å; L174-N200 CarbonylContact O-C 3.59Å; L174-L201 HydrophobicContact CD2-CD1 4.49Å; L174-L201 HydrophobicContact CG-CD1 4.3Å; L174-L201 VanDerWaalsContact O-CA 3.24Å; L174-L201 WeakPolarHBondContact O-CA 3.28Å; L174-L201 PolarHBondContact O-N 2.96Å | ||
| 175 | Q | 94.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | trans | -95.4 | -37.5 | -179.8 | -62 | 169 | 35 | 0 | 0 | 112 | E151 N173 N200 T202 L203 | E151-Q175 WeakPolarHBondContact O-CA 3.45Å; E151-Q175 WeakPolarHBondContact O-CB 3.47Å; E151-Q175 PolarHBondContact O-N 2.96Å; N173-Q175 PolarHBondContact O-N 3.17Å; Q175-N200 WeakPolarHBondContact CA-O 3.47Å; Q175-N200 HydrophobicContact CG-CB 4.47Å; Q175-T202 PolarHBondContact O-N 3.09Å; Q175-T202 PolarHBondContact O-OG1 3.35Å; Q175-L203 PolarHBondContact O-N 3Å | ||
| 176 | K | 97.5 | Very high | 94.4 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 35% | 0.352 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 120.9 | -171.5 | -50.4 | -177.5 | -176.9 | 173.9 | 0 | 111.7 | E151 V152 L153 Y178 L203 | E151-K176 PolarHBondContact O-N 2.85Å; E151-K176 VanDerWaalsContact O-N 3.09Å; V152-K176 HydrophobicContact CG1-CB 4.38Å; V152-K176 HydrophobicContact CG2-CB 4.3Å; V152-K176 HydrophobicContact CG2-CD 4.3Å; V152-K176 HydrophobicContact CG2-CG 4.46Å; L153-K176 PolarHBondContact N-O 2.04Å; K176-Y178 HydrophobicContact CB-CD2 4.38Å; K176-Y178 HydrophobicContact CB-CE2 3.76Å; K176-Y178 HydrophobicContact CD-CE2 4.48Å; K176-L203 WeakPolarHBondContact CA-O 3.26Å; K176-L203 HydrophobicContact CB-CB 4.18Å; K176-L203 HydrophobicContact CB-CD2 4.47Å; K176-L203 HydrophobicContact CG-CB 4.05Å |
| 177 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 115.5 | 177.6 | 178.4 | 55.4 | 0 | 0 | 0 | 110.5 | L153 L155 F168 L174 L179 L191 L201 L203 L204 D205 | L153-L177 HydrophobicContact CB-CD1 4.02Å; L153-L177 HydrophobicContact CD2-CD1 3.89Å; L153-L177 HydrophobicContact CG-CD1 3.95Å; L155-L177 HydrophobicContact CD1-CD1 4.44Å; F168-L177 HydrophobicContact CD1-CD2 4.33Å; F168-L177 HydrophobicContact CE1-CD1 4.08Å; F168-L177 HydrophobicContact CE1-CD2 3.86Å; F168-L177 HydrophobicContact CZ-CD2 3.97Å; L174-L177 HydrophobicContact CD2-CB 4.26Å; L174-L177 HydrophobicContact CD2-CD2 4.43Å; L177-L179 HydrophobicContact CD1-CD1 4.3Å; L177-L179 HydrophobicContact CD1-CG 4.14Å; L177-L179 HydrophobicContact CD2-CD1 3.93Å; L177-L179 HydrophobicContact CG-CD1 3.94Å; L177-L179 HydrophobicContact CG-CG 4.14Å; L177-L191 HydrophobicContact CD2-CD1 3.98Å; L177-L201 HydrophobicContact CB-CD1 4.13Å; L177-L203 PolarHBondContact N-O 2.88Å; L177-L204 HydrophobicContact CB-CD1 4.17Å; L177-L204 HydrophobicContact CD2-CD1 3.99Å; L177-L204 HydrophobicContact CG-CD1 4.05Å; L177-L204 WeakPolarHBondContact O-CA 3.37Å; L177-D205 PolarHBondContact O-N 3.27Å |
| 178 | Y | 98.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.5 | 180 | -64.5 | -101.1 | 0 | 0 | 0 | 110.7 | L153 L154 L155 Y156 K176 L203 D205 | L153-Y178 PolarHBondContact O-N 3.48Å; L154-Y178 HydrophobicContact CD2-CD2 3.3Å; L154-Y178 HydrophobicContact CD2-CE2 3.83Å; L154-Y178 HydrophobicContact CD2-CG 3.8Å; L155-Y178 CarbonylContact C-O 3.59Å; L155-Y178 WeakPolarHBondContact CA-O 3.46Å; L155-Y178 WeakPolarHBondContact CB-O 3.48Å; L155-Y178 PolarHBondContact N-O 3.18Å; Y156-Y178 PolarHBondContact N-O 2.83Å; Y156-Y178 VanDerWaalsContact N-O 3.16Å; K176-Y178 HydrophobicContact CB-CD2 4.38Å; K176-Y178 HydrophobicContact CB-CE2 3.76Å; K176-Y178 HydrophobicContact CD-CE2 4.48Å; Y178-L203 HydrophobicContact CD1-CD2 4.01Å; Y178-L203 HydrophobicContact CD2-CD2 4.13Å; Y178-L203 HydrophobicContact CE1-CD1 4.28Å; Y178-L203 HydrophobicContact CE1-CD2 3.65Å; Y178-L203 HydrophobicContact CE2-CD2 3.81Å; Y178-L203 HydrophobicContact CG-CD2 4.25Å; Y178-D205 HydrophobicContact CD1-CB 3.91Å |
| 179 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -123.9 | 13.4 | -177.8 | -74.7 | 165.7 | 0 | 0 | 0 | 112.2 | L139 L155 I160 I163 L177 N182 I184 L204 D205 V206 N209 | L139-L179 HydrophobicContact CD1-CD2 4.28Å; L155-L179 HydrophobicContact CB-CD2 3.77Å; L155-L179 HydrophobicContact CD1-CD2 3.95Å; I160-L179 HydrophobicContact CD1-CD2 4.14Å; I163-L179 HydrophobicContact CD1-CD1 3.95Å; I163-L179 HydrophobicContact CD1-CD2 4.17Å; L177-L179 HydrophobicContact CD1-CD1 4.3Å; L177-L179 HydrophobicContact CD1-CG 4.14Å; L177-L179 HydrophobicContact CD2-CD1 3.93Å; L177-L179 HydrophobicContact CG-CD1 3.94Å; L177-L179 HydrophobicContact CG-CG 4.14Å; L179-N182 WeakPolarHBondContact O-CB 3.33Å; L179-N182 PolarHBondContact O-ND2 3.07Å; L179-I184 HydrophobicContact CB-CD1 3.92Å; L179-I184 HydrophobicContact CD1-CD1 4.37Å; L179-I184 HydrophobicContact CD2-CD1 4.42Å; L179-I184 HydrophobicContact CG-CD1 4.49Å; L179-L204 HydrophobicContact CD1-CD1 4.41Å; L179-D205 CarbonylContact C-O 3.6Å; L179-D205 WeakPolarHBondContact CA-O 3.36Å; L179-D205 WeakPolarHBondContact CB-O 3.29Å; L179-D205 PolarHBondContact N-O 3.06Å; L179-V206 HydrophobicContact CB-CG1 4.19Å; L179-V206 HydrophobicContact CD1-CG1 4.41Å; L179-N209 PolarHBondContact O-ND2 3.39Å | ||
| 180 | S | 98.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | trans | -64.1 | 161.3 | 179.7 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | Y156 N157 N182 D205 S207 | Y156-S180 CarbonylContact C-O 3.38Å; Y156-S180 WeakPolarHBondContact CA-O 3.39Å; Y156-S180 WeakPolarHBondContact CB-O 3.28Å; Y156-S180 WeakPolarHBondContact CB-OG 3.34Å; N157-S180 PolarHBondContact N-O 2.96Å; S180-N182 PolarHBondContact O-N 3.1Å; S180-N182 PolarHBondContact O-ND2 3.2Å; S180-N182 VanDerWaalsContact O-ND2 3.11Å; S180-D205 WeakPolarHBondContact CB-OD1 3.24Å; S180-D205 WeakPolarHBondContact CB-OD2 3.26Å; S180-D205 PolarHBondContact N-O 2.91Å; S180-D205 PolarHBondContact OG-OD2 3.08Å; S180-S207 WeakPolarHBondContact CA-O 3.38Å; S180-S207 WeakPolarHBondContact CB-O 3.4Å; S180-S207 WeakPolarHBondContact CB-OG 3.43Å | ||
| 181 | Q | 98.5 | Very high | 94.4 | Very high | 102 Ų | 102 | 39.1 Ų | 39.1 | 48% | 0.477 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 55 | 51.7 | -179.3 | -58.8 | 175.7 | 79 | 0 | 0 | 111.7 | N157 N158 S207 S208 | N157-Q181 VanDerWaalsContact CA-O 3.27Å; N157-Q181 WeakPolarHBondContact CA-O 3.49Å; N157-Q181 HydrophobicContact CB-CB 4.31Å; N157-Q181 PolarHBondContact N-O 3.1Å; N158-Q181 PolarHBondContact N-O 3.19Å; Q181-S207 PolarHBondContact N-O 2.7Å; Q181-S208 VanDerWaalsContact CA-O 3.29Å; Q181-S208 WeakPolarHBondContact CA-O 3.47Å; Q181-S208 PolarHBondContact N-O 2.79Å |
| 182 | N | 98.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -129 | -168.4 | 177.9 | -87.8 | -74.7 | 0 | 0 | 0 | 110.1 | L155 N158 Q159 I160 L179 S180 I184 N209 | L155-N182 PolarHBondContact O-ND2 2.94Å; N158-N182 VanDerWaalsContact CA-OD1 3.32Å; N158-N182 WeakPolarHBondContact CA-OD1 3.11Å; N158-N182 WeakPolarHBondContact CB-OD1 3.14Å; N158-N182 PolarHBondContact O-OD1 3.02Å; Q159-N182 PolarHBondContact N-OD1 3.47Å; I160-N182 HydrophobicContact CB-CB 4.34Å; I160-N182 VanDerWaalsContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.38Å; I160-N182 PolarHBondContact N-OD1 2.97Å; L179-N182 WeakPolarHBondContact O-CB 3.33Å; L179-N182 PolarHBondContact O-ND2 3.07Å; S180-N182 PolarHBondContact O-N 3.1Å; S180-N182 PolarHBondContact O-ND2 3.2Å; S180-N182 VanDerWaalsContact O-ND2 3.11Å; N182-I184 HydrophobicContact CB-CD1 4.31Å; N182-I184 HydrophobicContact CB-CG1 4.21Å; N182-N209 WeakPolarHBondContact CA-OD1 3.33Å; N182-N209 WeakPolarHBondContact CB-OD1 3.43Å; N182-N209 PolarHBondContact O-OD1 2.6Å |
| 183 | Q | 98.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | trans | -112.1 | 17.6 | -177 | -58.8 | -170.4 | 81.5 | 0 | 0 | 113 | Q159 I160 S185 N209 | Q159-Q183 PolarHBondContact O-NE2 3.42Å; Q159-Q183 VanDerWaalsContact O-NE2 3.11Å; I160-Q183 CarbonylContact O-C 3.36Å; I160-Q183 VanDerWaalsContact O-C 3.27Å; I160-Q183 VanDerWaalsContact O-CA 3.3Å; I160-Q183 WeakPolarHBondContact O-CA 3.48Å; I160-Q183 PolarHBondContact O-N 3.11Å; Q183-S185 PolarHBondContact O-N 3.06Å; Q183-N209 PolarHBondContact N-OD1 2.95Å | ||
| 184 | I | 97.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | trans | -63.6 | 124.2 | -175 | -55.7 | 166 | 0 | 0 | 0 | 109.6 | I160 I163 L179 N182 R186 N209 R210 I211 | I160-I184 HydrophobicContact CG2-CG1 4.46Å; I160-I184 PolarHBondContact O-N 3.06Å; I163-I184 HydrophobicContact CD1-CD1 3.69Å; I163-I184 HydrophobicContact CD1-CG1 4.1Å; L179-I184 HydrophobicContact CB-CD1 3.92Å; L179-I184 HydrophobicContact CD1-CD1 4.37Å; L179-I184 HydrophobicContact CD2-CD1 4.42Å; L179-I184 HydrophobicContact CG-CD1 4.49Å; N182-I184 HydrophobicContact CB-CD1 4.31Å; N182-I184 HydrophobicContact CB-CG1 4.21Å; I184-R186 VanDerWaalsContact CG2-O 3.27Å; I184-R186 WeakPolarHBondContact CG2-O 3.43Å; I184-N209 HydrophobicContact CB-CB 4.46Å; I184-N209 VanDerWaalsContact CB-OD1 3.23Å; I184-N209 WeakPolarHBondContact CB-OD1 3.42Å; I184-N209 WeakPolarHBondContact CG1-OD1 3.32Å; I184-N209 PolarHBondContact N-OD1 3.3Å; I184-R210 CarbonylContact O-C 3.53Å; I184-R210 VanDerWaalsContact O-C 3.22Å; I184-R210 VanDerWaalsContact O-CA 3.26Å; I184-R210 WeakPolarHBondContact O-CA 3.41Å; I184-R210 WeakPolarHBondContact O-CB 3.49Å; I184-R210 PolarHBondContact O-N 2.77Å; I184-I211 PolarHBondContact O-N 2.97Å | ||
| 185 | S | 96.4 | Very high | 90.2 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | trans | -105.5 | -22.2 | -174.9 | 61 | 0 | 0 | 0 | 0 | 114.7 | Q183 | Q183-S185 PolarHBondContact O-N 3.06Š| ||
| 186 | R | 95.2 | Very high | 88.3 | Confident | 139 Ų | 139 | 54.7 Ų | 54.7 | 53% | 0.525 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -113.9 | 129.6 | 175.2 | -165.7 | -173.1 | 74.5 | 104.6 | 7.7 | 109.1 | I184 E190 | I184-R186 VanDerWaalsContact CG2-O 3.27Å; I184-R186 WeakPolarHBondContact CG2-O 3.43Å; R186-E190 IonicContact CZ-OE1 3.51Å; R186-E190 IonicContact CZ-OE2 3.57Å; R186-E190 IonicContact NH1-OE1 3.15Å; R186-E190 PolarHBondContact NH1-OE1 3.25Å; R186-E190 VanDerWaalsContact NH1-OE1 3.15Å; R186-E190 IonicContact NH1-OE2 3.52Å; R186-E190 IonicContact NH2-OE1 2.95Å; R186-E190 PolarHBondContact NH2-OE1 3.47Å; R186-E190 IonicContact NH2-OE2 2.75Å; R186-E190 PolarHBondContact NH2-OE2 3.41Å |
| 187 | F | 94.6 | Very high | 86.5 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -60.3 | 131.8 | 175 | -176.2 | -84.7 | 0 | 0 | 0 | 110.7 | A189 I192 V206 I211 V214 P215 L219 L230 | F187-A189 VanDerWaalsContact C-N 3.26Å; F187-A189 HydrophobicContact CD1-CB 4.15Å; F187-A189 PolarHBondContact O-N 2.71Å; F187-I192 HydrophobicContact CE1-CD1 3.73Å; F187-I192 HydrophobicContact CE1-CG1 4.34Å; F187-I192 HydrophobicContact CZ-CD1 4.15Å; F187-V206 HydrophobicContact CD2-CG2 4.25Å; F187-V206 HydrophobicContact CE2-CG2 4.05Å; F187-I211 HydrophobicContact CB-CD1 4.49Å; F187-I211 HydrophobicContact CB-CG2 4Å; F187-I211 HydrophobicContact CD2-CD1 4.2Å; F187-V214 HydrophobicContact CB-CG1 4.47Å; F187-V214 HydrophobicContact CD2-CB 4.43Å; F187-V214 HydrophobicContact CD2-CG1 3.72Å; F187-V214 HydrophobicContact CE2-CG1 4.3Å; F187-V214 HydrophobicContact CG-CG1 4.25Å; F187-P215 VanDerWaalsContact CD1-CD 3.46Å; F187-P215 HydrophobicContact CD1-CG 3.86Å; F187-P215 HydrophobicContact CE1-CG 4.13Å; F187-L219 HydrophobicContact CE1-CD2 4.4Å; F187-L219 HydrophobicContact CZ-CD2 4.15Å; F187-L230 HydrophobicContact CE2-CD1 4.22Å; F187-L230 HydrophobicContact CZ-CD1 3.93Å; F187-L230 HydrophobicContact CZ-CD2 4.01Å; F187-L230 HydrophobicContact CZ-CG 4.45Å | ||
| 188 | P | 91.3 | Very high | 85.3 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | trans | -81.9 | 67.4 | -175 | 34.9 | -36.8 | 0 | 0 | 0 | 111.8 | E190 L191 L204 V206 | P188-E190 PolarHBondContact O-N 2.88Å; P188-L191 HydrophobicContact CB-CD1 3.82Å; P188-L191 HydrophobicContact CB-CG 4.15Å; P188-L191 HydrophobicContact CG-CD1 4.05Å; P188-L191 PolarHBondContact O-N 2.91Å; P188-L204 HydrophobicContact CG-CD2 4.43Å; P188-V206 HydrophobicContact CG-CG1 4.09Å | ||
| 189 | A | 88.3 | Confident | 84.2 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F187 L191 I192 K193 P215 | F187-A189 VanDerWaalsContact C-N 3.26Å; F187-A189 HydrophobicContact CD1-CB 4.15Å; F187-A189 PolarHBondContact O-N 2.71Å; A189-L191 VanDerWaalsContact C-N 3.26Å; A189-L191 PolarHBondContact O-N 3.46Å; A189-I192 WeakPolarHBondContact O-CG1 3.04Å; A189-I192 PolarHBondContact O-N 2.89Å; A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 PolarHBondContact O-N 2.99Å; A189-K193 VanDerWaalsContact O-N 3.08Å; A189-P215 HydrophobicContact CB-CG 3.98Å |
| 190 | E | 84.9 | Confident | 83.7 | Confident | 31 Ų | 31 | 61.8 Ų | 61.8 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58 | -37.6 | 179.9 | -68 | 82.9 | 167.1 | 0 | 0 | 112.1 | R165 R186 P188 I192 K193 E194 | R165-E190 HydrophobicContact CG-CG 4.25Å; R165-E190 IonicContact CZ-OE1 3.25Å; R165-E190 VanDerWaalsContact CZ-OE1 3.25Å; R165-E190 IonicContact NE-OE1 2.86Å; R165-E190 PolarHBondContact NE-OE1 3.35Å; R165-E190 IonicContact NH2-OE1 2.75Å; R165-E190 PolarHBondContact NH2-OE1 2.9Å; R186-E190 IonicContact CZ-OE1 3.51Å; R186-E190 IonicContact CZ-OE2 3.57Å; R186-E190 IonicContact NH1-OE1 3.15Å; R186-E190 PolarHBondContact NH1-OE1 3.25Å; R186-E190 VanDerWaalsContact NH1-OE1 3.15Å; R186-E190 IonicContact NH1-OE2 3.52Å; R186-E190 IonicContact NH2-OE1 2.95Å; R186-E190 PolarHBondContact NH2-OE1 3.47Å; R186-E190 IonicContact NH2-OE2 2.75Å; R186-E190 PolarHBondContact NH2-OE2 3.41Å; P188-E190 PolarHBondContact O-N 2.88Å; E190-I192 VanDerWaalsContact C-N 3.27Å; E190-I192 PolarHBondContact O-N 3.26Å; E190-K193 PolarHBondContact O-N 2.74Å; E190-E194 PolarHBondContact O-N 2.94Å; E190-E194 VanDerWaalsContact O-N 3.1Å |
| 191 | L | 84.4 | Confident | 83.3 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -24.5 | -177.2 | -54.5 | 178.8 | 0 | 0 | 0 | 114.1 | F168 L177 P188 A189 L198 L204 | F168-L191 HydrophobicContact CD2-CD2 3.61Å; F168-L191 HydrophobicContact CE2-CD1 4.39Å; F168-L191 HydrophobicContact CE2-CD2 4.08Å; F168-L191 HydrophobicContact CG-CD2 4.36Å; L177-L191 HydrophobicContact CD2-CD1 3.98Å; P188-L191 HydrophobicContact CB-CD1 3.82Å; P188-L191 HydrophobicContact CB-CG 4.15Å; P188-L191 HydrophobicContact CG-CD1 4.05Å; P188-L191 PolarHBondContact O-N 2.91Å; A189-L191 VanDerWaalsContact C-N 3.26Å; A189-L191 PolarHBondContact O-N 3.46Å; L191-L198 HydrophobicContact CB-CD1 4.17Å; L191-L198 HydrophobicContact CD2-CD1 3.89Å; L191-L204 HydrophobicContact CB-CD2 4.42Å; L191-L204 HydrophobicContact CD1-CD1 4.31Å; L191-L204 HydrophobicContact CD1-CD2 4.33Å |
| 192 | I | 80.3 | Confident | 83 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -106.2 | -20 | -178.8 | 55.3 | 158.4 | 0 | 0 | 0 | 112.9 | F187 A189 E190 L204 L219 L222 I226 | F187-I192 HydrophobicContact CE1-CD1 3.73Å; F187-I192 HydrophobicContact CE1-CG1 4.34Å; F187-I192 HydrophobicContact CZ-CD1 4.15Å; A189-I192 WeakPolarHBondContact O-CG1 3.04Å; A189-I192 PolarHBondContact O-N 2.89Å; E190-I192 VanDerWaalsContact C-N 3.27Å; E190-I192 PolarHBondContact O-N 3.26Å; I192-L204 HydrophobicContact CG2-CD2 4Å; I192-L219 HydrophobicContact CD1-CD2 3.5Å; I192-L222 HydrophobicContact CB-CD2 4.26Å; I192-L222 HydrophobicContact CD1-CD1 3.92Å; I192-L222 HydrophobicContact CD1-CD2 4.45Å; I192-I226 HydrophobicContact CG2-CG2 4.35Å |
| 193 | K | 74.6 | Confident | 82.8 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -90.1 | -41.5 | -175.7 | -172.5 | 165.4 | -173.5 | 156.6 | 0 | 111.7 | A189 E190 R195 D218 | A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 PolarHBondContact O-N 2.99Å; A189-K193 VanDerWaalsContact O-N 3.08Å; E190-K193 PolarHBondContact O-N 2.74Å; K193-R195 PolarHBondContact O-N 2.93Å; K193-D218 WeakPolarHBondContact CE-OD1 3.4Å; K193-D218 IonicContact NZ-OD1 2.67Å; K193-D218 PolarHBondContact NZ-OD1 2.87Å; K193-D218 IonicContact NZ-OD2 2.98Å; K193-D218 PolarHBondContact NZ-OD2 2.93Å |
| 194 | E | 64.7 | Low | 82.7 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | trans | -86.2 | 58.4 | -179.8 | -59.8 | -177 | 179.8 | 0 | 0 | 111 | E190 Y196 R197 | E190-E194 PolarHBondContact O-N 2.94Å; E190-E194 VanDerWaalsContact O-N 3.1Å; E194-Y196 PolarHBondContact O-N 2.89Å; E194-R197 PolarHBondContact O-N 3.44Å; E194-R197 WeakPolarHBondContact OE2-CD 3.18Å; E194-R197 IonicContact OE2-CZ 3.63Å; E194-R197 IonicContact OE2-NE 3.85Å; E194-R197 IonicContact OE2-NH1 2.67Å; E194-R197 PolarHBondContact OE2-NH1 3.06Å | ||
| 195 | R | 60 | Low | 82.7 | Confident | 101 Ų | 101 | 58 Ų | 58 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -51.8 | -31.2 | -169.5 | -61.5 | -169.9 | -165.3 | 163.9 | 11.6 | 114.3 | K193 R197 L198 E199 T221 | K193-R195 PolarHBondContact O-N 2.93Å; R195-R197 PolarHBondContact O-N 2.85Å; R195-R197 VanDerWaalsContact O-N 3.09Å; R195-L198 CarbonylContact O-C 3.51Å; R195-L198 PolarHBondContact O-N 3.2Å; R195-E199 WeakPolarHBondContact O-CA 3.23Å; R195-E199 VanDerWaalsContact O-CG 3.27Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 3.19Å; R195-T221 PolarHBondContact NH2-O 3.14Å |
| 196 | Y | 55.5 | Low | 82.8 | Confident | 209 Ų | 209 | 54.2 Ų | 54.2 | 82% | 0.82 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -60.9 | -9.7 | 174.8 | -52.3 | -72.1 | 0 | 0 | 0 | 115.5 | E194 | E194-Y196 PolarHBondContact O-N 2.89Š|
| 197 | R | 59.4 | Low | 83 | Confident | 117 Ų | 117 | 48 Ų | 48 | 44% | 0.442 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -101.2 | -30.8 | 178.4 | -76.5 | 175.7 | 155.3 | 167.1 | -8.6 | 113.7 | E194 R195 | E194-R197 PolarHBondContact O-N 3.44Å; E194-R197 WeakPolarHBondContact OE2-CD 3.18Å; E194-R197 IonicContact OE2-CZ 3.63Å; E194-R197 IonicContact OE2-NE 3.85Å; E194-R197 IonicContact OE2-NH1 2.67Å; E194-R197 PolarHBondContact OE2-NH1 3.06Å; R195-R197 PolarHBondContact O-N 2.85Å; R195-R197 VanDerWaalsContact O-N 3.09Å |
| 198 | L | 72.1 | Confident | 83.1 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -134.5 | 52.7 | -175.3 | -63 | 177.2 | 0 | 0 | 0 | 110.1 | M171 L174 L191 R195 N200 L201 | M171-L198 HydrophobicContact CB-CD2 4.12Å; M171-L198 VanDerWaalsContact O-CD2 3.32Å; M171-L198 WeakPolarHBondContact O-CD2 3.17Å; L174-L198 HydrophobicContact CB-CD2 4.46Å; L191-L198 HydrophobicContact CB-CD1 4.17Å; L191-L198 HydrophobicContact CD2-CD1 3.89Å; R195-L198 CarbonylContact O-C 3.51Å; R195-L198 PolarHBondContact O-N 3.2Å; L198-N200 PolarHBondContact O-N 3.27Å; L198-L201 HydrophobicContact CB-CB 4.06Å; L198-L201 HydrophobicContact CD1-CD2 4.21Å; L198-L201 WeakPolarHBondContact O-CB 3.16Å; L198-L201 PolarHBondContact O-N 3.19Å |
| 199 | E | 76.7 | Confident | 83.5 | Confident | 115 Ų | 115 | 49.1 Ų | 49.1 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.2 | -171.3 | -63.5 | -173.2 | 159.7 | 0 | 0 | 114.2 | R195 R312 | R195-E199 WeakPolarHBondContact O-CA 3.23Å; R195-E199 VanDerWaalsContact O-CG 3.27Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 3.19Å; E199-R312 PolarHBondContact O-NH1 2.9Å; E199-R312 VanDerWaalsContact O-NH1 3.1Å |
| 200 | N | 87.4 | Confident | 83.9 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 1.8 | -176.3 | -62.4 | -47.7 | 0 | 0 | 0 | 114.2 | V172 L174 Q175 L198 T202 R312 | V172-N200 PolarHBondContact O-ND2 2.59Å; L174-N200 CarbonylContact O-C 3.59Å; Q175-N200 WeakPolarHBondContact CA-O 3.47Å; Q175-N200 HydrophobicContact CG-CB 4.47Å; L198-N200 PolarHBondContact O-N 3.27Å; N200-T202 PolarHBondContact O-N 3.17Å; N200-R312 PolarHBondContact OD1-NH1 3.26Å |
| 201 | L | 90.6 | Very high | 84.5 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | trans | -67.5 | 107.3 | -179.9 | -172.4 | 72.3 | 0 | 0 | 0 | 110.6 | L174 L177 L198 L203 L204 | L174-L201 HydrophobicContact CD2-CD1 4.49Å; L174-L201 HydrophobicContact CG-CD1 4.3Å; L174-L201 VanDerWaalsContact O-CA 3.24Å; L174-L201 WeakPolarHBondContact O-CA 3.28Å; L174-L201 PolarHBondContact O-N 2.96Å; L177-L201 HydrophobicContact CB-CD1 4.13Å; L198-L201 HydrophobicContact CB-CB 4.06Å; L198-L201 HydrophobicContact CD1-CD2 4.21Å; L198-L201 WeakPolarHBondContact O-CB 3.16Å; L198-L201 PolarHBondContact O-N 3.19Å; L201-L203 WeakPolarHBondContact CD1-O 3.43Å; L201-L204 HydrophobicContact CD2-CB 4.45Å | ||
| 202 | T | 90.9 | Very high | 85.1 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | trans | -105.6 | -20.1 | -179.9 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | Q175 N200 W225 G229 | Q175-T202 PolarHBondContact O-N 3.09Å; Q175-T202 PolarHBondContact O-OG1 3.35Å; N200-T202 PolarHBondContact O-N 3.17Å; T202-W225 HydrophobicContact CG2-CE3 4.16Å; T202-W225 HydrophobicContact CG2-CZ3 4Å; T202-G229 WeakPolarHBondContact O-CA 3.33Å | ||
| 203 | L | 95.8 | Very high | 85.8 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.12 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 126.5 | 177 | -172.5 | 152.1 | 0 | 0 | 0 | 111.6 | Q175 K176 L177 Y178 L201 D205 G229 Y231 | Q175-L203 PolarHBondContact O-N 3Å; K176-L203 WeakPolarHBondContact CA-O 3.26Å; K176-L203 HydrophobicContact CB-CB 4.18Å; K176-L203 HydrophobicContact CB-CD2 4.47Å; K176-L203 HydrophobicContact CG-CB 4.05Å; L177-L203 PolarHBondContact N-O 2.88Å; Y178-L203 HydrophobicContact CD1-CD2 4.01Å; Y178-L203 HydrophobicContact CD2-CD2 4.13Å; Y178-L203 HydrophobicContact CE1-CD1 4.28Å; Y178-L203 HydrophobicContact CE1-CD2 3.65Å; Y178-L203 HydrophobicContact CE2-CD2 3.81Å; Y178-L203 HydrophobicContact CG-CD2 4.25Å; L201-L203 WeakPolarHBondContact CD1-O 3.43Å; L203-D205 HydrophobicContact CD2-CB 4.1Å; L203-G229 WeakPolarHBondContact CA-O 3.19Å; L203-Y231 HydrophobicContact CD1-CE2 3.9Å; L203-Y231 HydrophobicContact CG-CD2 4.29Å; L203-Y231 HydrophobicContact CG-CE2 3.95Å |
| 204 | L | 96.3 | Very high | 86.8 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 109.3 | 169.6 | 175.2 | 58.5 | 0 | 0 | 0 | 108.8 | L177 L179 P188 L191 I192 L201 V206 G229 L230 Y231 | L177-L204 HydrophobicContact CB-CD1 4.17Å; L177-L204 HydrophobicContact CD2-CD1 3.99Å; L177-L204 HydrophobicContact CG-CD1 4.05Å; L177-L204 WeakPolarHBondContact O-CA 3.37Å; L179-L204 HydrophobicContact CD1-CD1 4.41Å; P188-L204 HydrophobicContact CG-CD2 4.43Å; L191-L204 HydrophobicContact CB-CD2 4.42Å; L191-L204 HydrophobicContact CD1-CD1 4.31Å; L191-L204 HydrophobicContact CD1-CD2 4.33Å; I192-L204 HydrophobicContact CG2-CD2 4Å; L201-L204 HydrophobicContact CD2-CB 4.45Å; L204-V206 HydrophobicContact CD1-CG1 4.02Å; L204-V206 HydrophobicContact CG-CG1 4.26Å; L204-G229 PolarHBondContact N-O 3.41Å; L204-L230 HydrophobicContact CB-CD1 3.97Å; L204-L230 HydrophobicContact CD2-CD1 3.92Å; L204-L230 HydrophobicContact CG-CD1 3.99Å; L204-L230 WeakPolarHBondContact O-CA 3.24Å; L204-Y231 PolarHBondContact O-N 2.8Å |
| 205 | D | 98.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 110.9 | 176.5 | 170.2 | 28.8 | 0 | 0 | 0 | 110.8 | L177 Y178 L179 S180 L203 S207 Y231 | L177-D205 PolarHBondContact O-N 3.27Å; Y178-D205 HydrophobicContact CD1-CB 3.91Å; L179-D205 CarbonylContact C-O 3.6Å; L179-D205 WeakPolarHBondContact CA-O 3.36Å; L179-D205 WeakPolarHBondContact CB-O 3.29Å; L179-D205 PolarHBondContact N-O 3.06Å; S180-D205 WeakPolarHBondContact CB-OD1 3.24Å; S180-D205 WeakPolarHBondContact CB-OD2 3.26Å; S180-D205 PolarHBondContact N-O 2.91Å; S180-D205 PolarHBondContact OG-OD2 3.08Å; L203-D205 HydrophobicContact CD2-CB 4.1Å; D205-S207 WeakPolarHBondContact OD1-CB 3.06Å; D205-S207 PolarHBondContact OD1-N 2.92Å; D205-S207 PolarHBondContact OD1-OG 2.58Å; D205-Y231 HydrophobicContact CB-CD2 4.39Å |
| 206 | V | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -121.3 | 26.4 | 172.2 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | L179 F187 P188 L204 N209 I211 Y231 F232 N235 | L179-V206 HydrophobicContact CB-CG1 4.19Å; L179-V206 HydrophobicContact CD1-CG1 4.41Å; F187-V206 HydrophobicContact CD2-CG2 4.25Å; F187-V206 HydrophobicContact CE2-CG2 4.05Å; P188-V206 HydrophobicContact CG-CG1 4.09Å; L204-V206 HydrophobicContact CD1-CG1 4.02Å; L204-V206 HydrophobicContact CG-CG1 4.26Å; V206-N209 PolarHBondContact O-ND2 2.94Å; V206-I211 HydrophobicContact CB-CD1 3.99Å; V206-I211 HydrophobicContact CG2-CD1 3.8Å; V206-Y231 CarbonylContact C-O 3.22Å; V206-Y231 WeakPolarHBondContact CG2-O 3.45Å; V206-Y231 PolarHBondContact N-O 3.28Å; V206-F232 HydrophobicContact CG2-CB 3.91Å; V206-N235 PolarHBondContact O-ND2 3.48Å | ||
| 207 | S | 98.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | trans | -63.2 | 165.4 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | S180 Q181 D205 N209 Y231 H233 | S180-S207 WeakPolarHBondContact CA-O 3.38Å; S180-S207 WeakPolarHBondContact CB-O 3.4Å; S180-S207 WeakPolarHBondContact CB-OG 3.43Å; Q181-S207 PolarHBondContact N-O 2.7Å; D205-S207 WeakPolarHBondContact OD1-CB 3.06Å; D205-S207 PolarHBondContact OD1-N 2.92Å; D205-S207 PolarHBondContact OD1-OG 2.58Å; S207-N209 VanDerWaalsContact C-N 3.28Å; S207-N209 PolarHBondContact O-N 3.02Å; S207-N209 VanDerWaalsContact O-N 3.17Å; S207-N209 PolarHBondContact O-ND2 2.95Å; S207-Y231 PolarHBondContact N-O 2.95Å; S207-H233 CarbonylContact C-O 3.57Å; S207-H233 VanDerWaalsContact CA-O 3.23Å; S207-H233 WeakPolarHBondContact CA-O 3.36Å; S207-H233 VanDerWaalsContact CB-CE1 3.42Å; S207-H233 WeakPolarHBondContact CB-CE1 3.36Å; S207-H233 VanDerWaalsContact CB-NE2 3.33Å; S207-H233 WeakPolarHBondContact CB-NE2 3.47Å; S207-H233 WeakPolarHBondContact CB-O 3.2Å | ||
| 208 | S | 98.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 52.4 | 43.1 | 173.6 | -56.6 | 0 | 0 | 0 | 0 | 113.9 | Q181 H233 N234 | Q181-S208 VanDerWaalsContact CA-O 3.29Å; Q181-S208 WeakPolarHBondContact CA-O 3.47Å; Q181-S208 PolarHBondContact N-O 2.79Å; S208-H233 PolarHBondContact N-O 3.28Å; S208-N234 WeakPolarHBondContact CA-O 3.41Å; S208-N234 PolarHBondContact OG-ND2 3.11Å |
| 209 | N | 98.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -120.4 | -160.8 | -176.4 | -96.9 | -84.1 | 0 | 0 | 0 | 111 | L179 N182 Q183 I184 V206 S207 I211 N235 P236 | L179-N209 PolarHBondContact O-ND2 3.39Å; N182-N209 WeakPolarHBondContact CA-OD1 3.33Å; N182-N209 WeakPolarHBondContact CB-OD1 3.43Å; N182-N209 PolarHBondContact O-OD1 2.6Å; Q183-N209 PolarHBondContact N-OD1 2.95Å; I184-N209 HydrophobicContact CB-CB 4.46Å; I184-N209 VanDerWaalsContact CB-OD1 3.23Å; I184-N209 WeakPolarHBondContact CB-OD1 3.42Å; I184-N209 WeakPolarHBondContact CG1-OD1 3.32Å; I184-N209 PolarHBondContact N-OD1 3.3Å; V206-N209 PolarHBondContact O-ND2 2.94Å; S207-N209 VanDerWaalsContact C-N 3.28Å; S207-N209 PolarHBondContact O-N 3.02Å; S207-N209 VanDerWaalsContact O-N 3.17Å; S207-N209 PolarHBondContact O-ND2 2.95Å; N209-I211 HydrophobicContact CB-CD1 4.47Å; N209-I211 HydrophobicContact CB-CG1 4.37Å; N209-N235 VanDerWaalsContact CA-OD1 3.26Å; N209-N235 WeakPolarHBondContact CA-OD1 3.15Å; N209-N235 WeakPolarHBondContact CB-OD1 3.32Å; N209-N235 PolarHBondContact N-OD1 3.13Å; N209-N235 PolarHBondContact O-OD1 2.61Å; N209-P236 VanDerWaalsContact O-CD 3.25Å; N209-P236 WeakPolarHBondContact O-CD 3.34Å |
| 210 | R | 97.8 | Very high | 94.7 | Very high | 132 Ų | 132 | 44.1 Ų | 44.1 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | trans | -112.1 | 20.6 | -179 | -61.9 | -174.4 | 177.1 | 166.3 | 7.3 | 113.3 | I184 K212 N235 | I184-R210 CarbonylContact O-C 3.53Å; I184-R210 VanDerWaalsContact O-C 3.22Å; I184-R210 VanDerWaalsContact O-CA 3.26Å; I184-R210 WeakPolarHBondContact O-CA 3.41Å; I184-R210 WeakPolarHBondContact O-CB 3.49Å; I184-R210 PolarHBondContact O-N 2.77Å; R210-K212 PolarHBondContact O-N 2.83Å; R210-N235 PolarHBondContact N-OD1 3.16Å | ||
| 211 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -68.5 | 124.9 | -176 | -59.6 | 169.8 | 0 | 0 | 0 | 109.7 | I184 F187 V206 N209 K213 V214 N235 P236 L237 | I184-I211 PolarHBondContact O-N 2.97Å; F187-I211 HydrophobicContact CB-CD1 4.49Å; F187-I211 HydrophobicContact CB-CG2 4Å; F187-I211 HydrophobicContact CD2-CD1 4.2Å; V206-I211 HydrophobicContact CB-CD1 3.99Å; V206-I211 HydrophobicContact CG2-CD1 3.8Å; N209-I211 HydrophobicContact CB-CD1 4.47Å; N209-I211 HydrophobicContact CB-CG1 4.37Å; I211-K213 VanDerWaalsContact CG2-O 3.28Å; I211-K213 WeakPolarHBondContact CG2-O 3.13Å; I211-V214 HydrophobicContact CG2-CG1 4.12Å; I211-N235 HydrophobicContact CB-CB 4.27Å; I211-N235 VanDerWaalsContact CB-OD1 3.28Å; I211-N235 WeakPolarHBondContact CB-OD1 3.4Å; I211-N235 PolarHBondContact N-OD1 3.21Å; I211-P236 CarbonylContact O-C 3.56Å; I211-P236 WeakPolarHBondContact O-CD 3.38Å; I211-L237 HydrophobicContact CG2-CD2 4.22Å; I211-L237 PolarHBondContact O-N 3.34Å | ||
| 212 | K | 95.9 | Very high | 94.9 | Very high | 128 Ų | 128 | 46.5 Ų | 46.5 | 56% | 0.557 | 24% | 0.236 | S | C | * | . | trans | -101.2 | -21.7 | 179.4 | -63.5 | -175.9 | -179.3 | -180 | 0 | 114.3 | R210 P236 Q238 | R210-K212 PolarHBondContact O-N 2.83Å; K212-P236 WeakPolarHBondContact CA-O 3.27Å; K212-P236 HydrophobicContact CG-CG 4.4Å; K212-Q238 PolarHBondContact O-N 2.96Å | ||
| 213 | K | 95.6 | Very high | 94.9 | Very high | 149 Ų | 149 | 44.9 Ų | 44.9 | 65% | 0.648 | 23% | 0.226 | S | C | * | . | trans | -144.3 | 141.9 | -179.6 | -68.2 | -170.7 | 175.2 | -172 | 0 | 109.8 | I211 | I211-K213 VanDerWaalsContact CG2-O 3.28Å; I211-K213 WeakPolarHBondContact CG2-O 3.13Å | ||
| 214 | V | 95.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | trans | -116.5 | 149.5 | 171.6 | -65.9 | 0 | 0 | 0 | 0 | 109.4 | F187 I211 I216 L219 F232 L237 L243 | F187-V214 HydrophobicContact CB-CG1 4.47Å; F187-V214 HydrophobicContact CD2-CB 4.43Å; F187-V214 HydrophobicContact CD2-CG1 3.72Å; F187-V214 HydrophobicContact CE2-CG1 4.3Å; F187-V214 HydrophobicContact CG-CG1 4.25Å; I211-V214 HydrophobicContact CG2-CG1 4.12Å; V214-I216 HydrophobicContact CG2-CD1 3.79Å; V214-I216 PolarHBondContact O-N 3.03Å; V214-L219 HydrophobicContact CB-CD1 3.96Å; V214-L219 HydrophobicContact CG2-CD1 4.12Å; V214-F232 HydrophobicContact CG1-CD2 3.99Å; V214-F232 HydrophobicContact CG1-CE2 4.18Å; V214-F232 HydrophobicContact CG1-CG 4.46Å; V214-F232 HydrophobicContact CG2-CE2 4.35Å; V214-L237 HydrophobicContact CG1-CD2 3.99Å; V214-L243 HydrophobicContact CG2-CD1 3.93Å | ||
| 215 | P | 94.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 46 Ų | 46 | 21% | 0.208 | 23% | 0.229 | C | C | . | . | trans | -82.7 | 81.5 | -174.4 | 34.6 | -35.8 | 0 | 0 | 0 | 110.6 | F187 A189 D217 D218 L219 | F187-P215 VanDerWaalsContact CD1-CD 3.46Å; F187-P215 HydrophobicContact CD1-CG 3.86Å; F187-P215 HydrophobicContact CE1-CG 4.13Å; A189-P215 HydrophobicContact CB-CG 3.98Å; P215-D217 PolarHBondContact O-N 2.88Å; P215-D217 VanDerWaalsContact O-N 3.14Å; P215-D218 HydrophobicContact CB-CB 4.07Å; P215-D218 HydrophobicContact CG-CB 4.22Å; P215-D218 PolarHBondContact O-N 3.05Å; P215-D218 VanDerWaalsContact O-N 3.14Å; P215-L219 HydrophobicContact CG-CG 4.3Å; P215-L219 WeakPolarHBondContact O-CG 3.33Å; P215-L219 PolarHBondContact O-N 3.47Å | ||
| 216 | I | 93.6 | Very high | 94.2 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49 | -44.2 | -172.4 | -56.7 | -65.3 | 0 | 0 | 0 | 112.7 | V214 L219 N220 L243 L246 | V214-I216 HydrophobicContact CG2-CD1 3.79Å; V214-I216 PolarHBondContact O-N 3.03Å; I216-L219 PolarHBondContact O-N 2.97Å; I216-N220 PolarHBondContact O-N 3.01Å; I216-N220 PolarHBondContact O-ND2 2.6Å; I216-L243 HydrophobicContact CD1-CB 4.22Å; I216-L243 HydrophobicContact CD1-CD1 4.09Å; I216-L246 HydrophobicContact CD1-CB 4.43Å; I216-L246 HydrophobicContact CD1-CD2 3.71Å |
| 217 | D | 92.1 | Very high | 94 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 68% | 0.684 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.3 | -45.3 | -176.4 | -47.1 | -53 | 0 | 0 | 0 | 111.8 | P215 L219 N220 T221 | P215-D217 PolarHBondContact O-N 2.88Å; P215-D217 VanDerWaalsContact O-N 3.14Å; D217-L219 VanDerWaalsContact C-N 3.34Å; D217-L219 PolarHBondContact O-N 3.04Å; D217-N220 PolarHBondContact O-N 3Å; D217-T221 PolarHBondContact O-N 2.97Å |
| 218 | D | 90.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.4 | -72.7 | -32.3 | 0 | 0 | 0 | 110.8 | K193 P215 N220 T221 | K193-D218 WeakPolarHBondContact CE-OD1 3.4Å; K193-D218 IonicContact NZ-OD1 2.67Å; K193-D218 PolarHBondContact NZ-OD1 2.87Å; K193-D218 IonicContact NZ-OD2 2.98Å; K193-D218 PolarHBondContact NZ-OD2 2.93Å; P215-D218 HydrophobicContact CB-CB 4.07Å; P215-D218 HydrophobicContact CG-CB 4.22Å; P215-D218 PolarHBondContact O-N 3.05Å; P215-D218 VanDerWaalsContact O-N 3.14Å; D218-N220 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact O-N 3Å; D218-T221 PolarHBondContact O-N 3.14Å; D218-T221 PolarHBondContact O-OG1 3.14Å |
| 219 | L | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -34 | 178.4 | -68.2 | -174.6 | 0 | 0 | 0 | 113.1 | F187 I192 V214 P215 I216 D217 T221 L222 K227 L230 L246 W250 | F187-L219 HydrophobicContact CE1-CD2 4.4Å; F187-L219 HydrophobicContact CZ-CD2 4.15Å; I192-L219 HydrophobicContact CD1-CD2 3.5Å; V214-L219 HydrophobicContact CB-CD1 3.96Å; V214-L219 HydrophobicContact CG2-CD1 4.12Å; P215-L219 HydrophobicContact CG-CG 4.3Å; P215-L219 WeakPolarHBondContact O-CG 3.33Å; P215-L219 PolarHBondContact O-N 3.47Å; I216-L219 PolarHBondContact O-N 2.97Å; D217-L219 VanDerWaalsContact C-N 3.34Å; D217-L219 PolarHBondContact O-N 3.04Å; L219-T221 VanDerWaalsContact C-N 3.35Å; L219-L222 HydrophobicContact CD2-CD1 3.75Å; L219-L222 PolarHBondContact O-N 3.09Å; L219-K227 WeakPolarHBondContact O-CE 3.42Å; L219-L230 HydrophobicContact CD2-CD2 3.48Å; L219-L230 VanDerWaalsContact CD2-CD2 3.48Å; L219-L246 HydrophobicContact CB-CD1 4.41Å; L219-L246 HydrophobicContact CB-CD2 4.15Å; L219-L246 HydrophobicContact CD1-CD2 3.83Å; L219-W250 HydrophobicContact CB-CZ2 4.28Å |
| 220 | N | 90.8 | Very high | 93.6 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.4 | -84.2 | -35.8 | 0 | 0 | 0 | 111.8 | I216 D217 D218 L222 K227 L246 | I216-N220 PolarHBondContact O-N 3.01Å; I216-N220 PolarHBondContact O-ND2 2.6Å; D217-N220 PolarHBondContact O-N 3Å; D218-N220 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact O-N 3Å; N220-L222 VanDerWaalsContact C-N 3.26Å; N220-L222 PolarHBondContact O-N 2.97Å; N220-K227 PolarHBondContact O-NZ 2.67Å; N220-L246 WeakPolarHBondContact OD1-CD1 3.29Å |
| 221 | T | 90.3 | Very high | 93.6 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 61% | 0.613 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.3 | -179.9 | 70.1 | 0 | 0 | 0 | 0 | 115.4 | R195 D217 D218 L219 | R195-T221 PolarHBondContact NH2-O 3.14Å; D217-T221 PolarHBondContact O-N 2.97Å; D218-T221 PolarHBondContact O-N 3.14Å; D218-T221 PolarHBondContact O-OG1 3.14Å; L219-T221 VanDerWaalsContact C-N 3.35Å |
| 222 | L | 90.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -71.2 | 146.6 | 174.1 | -61.8 | -178.7 | 0 | 0 | 0 | 111.3 | I192 L219 N220 I226 K227 L230 | I192-L222 HydrophobicContact CB-CD2 4.26Å; I192-L222 HydrophobicContact CD1-CD1 3.92Å; I192-L222 HydrophobicContact CD1-CD2 4.45Å; L219-L222 HydrophobicContact CD2-CD1 3.75Å; L219-L222 PolarHBondContact O-N 3.09Å; N220-L222 VanDerWaalsContact C-N 3.26Å; N220-L222 PolarHBondContact O-N 2.97Å; L222-I226 HydrophobicContact CB-CB 4.48Å; L222-I226 HydrophobicContact CD1-CG2 3.91Å; L222-I226 HydrophobicContact CD2-CG2 4.35Å; L222-K227 HydrophobicContact CB-CD 4.4Å; L222-K227 HydrophobicContact CB-CG 3.8Å; L222-K227 HydrophobicContact CD1-CG 4.43Å; L222-K227 WeakPolarHBondContact O-CE 3.2Å; L222-K227 PolarHBondContact O-NZ 3.27Å; L222-L230 HydrophobicContact CD1-CD2 4.17Å |
| 223 | P | 91.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | trans | -68.8 | 155.6 | 166.6 | 33 | -36.5 | 0 | 0 | 0 | 110.5 | W225 I226 K227 D308 | P223-W225 HydrophobicContact CB-CG 4.48Å; P223-W225 HydrophobicContact CG-CD2 4.3Å; P223-W225 HydrophobicContact CG-CG 4.34Å; P223-W225 HydrophobicContact CG-CZ2 4.23Å; P223-W225 PolarHBondContact O-N 2.8Å; P223-W225 VanDerWaalsContact O-N 3.16Å; P223-I226 HydrophobicContact CG-CB 4.28Å; P223-I226 HydrophobicContact CG-CD1 3.91Å; P223-I226 HydrophobicContact CG-CG1 3.85Å; P223-I226 PolarHBondContact O-N 3.26Å; P223-I226 VanDerWaalsContact O-N 3.11Å; P223-K227 WeakPolarHBondContact O-CG 3.48Å; P223-K227 PolarHBondContact O-N 3.29Å; P223-K227 VanDerWaalsContact O-N 3.13Å; P223-D308 WeakPolarHBondContact CA-OD1 3.35Å; P223-D308 VanDerWaalsContact CB-OD1 3.26Å; P223-D308 WeakPolarHBondContact CB-OD1 3.3Å | ||
| 224 | A | 93.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.2 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K227 N228 L255 D308 | A224-K227 PolarHBondContact O-N 3.08Å; A224-N228 WeakPolarHBondContact O-CB 3.42Å; A224-N228 PolarHBondContact O-N 3.28Å; A224-L255 HydrophobicContact CB-CD2 4.45Å; A224-D308 WeakPolarHBondContact CB-O 3.4Å; A224-D308 WeakPolarHBondContact CB-OD2 3.5Å; A224-D308 PolarHBondContact N-OD1 3.1Å; A224-D308 PolarHBondContact N-OD2 2.91Å |
| 225 | W | 91.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 30.9 Ų | 30.9 | 19% | 0.193 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.4 | -32.6 | 178.9 | 67.1 | -95.5 | 0 | 0 | 0 | 115.1 | T202 P223 T309 K310 R312 | T202-W225 HydrophobicContact CG2-CE3 4.16Å; T202-W225 HydrophobicContact CG2-CZ3 4Å; P223-W225 HydrophobicContact CB-CG 4.48Å; P223-W225 HydrophobicContact CG-CD2 4.3Å; P223-W225 HydrophobicContact CG-CG 4.34Å; P223-W225 HydrophobicContact CG-CZ2 4.23Å; P223-W225 PolarHBondContact O-N 2.8Å; P223-W225 VanDerWaalsContact O-N 3.16Å; W225-T309 WeakPolarHBondContact CB-O 3.4Å; W225-T309 PolarHBondContact N-O 3.07Å; W225-K310 VanDerWaalsContact CA-O 3.23Å; W225-K310 WeakPolarHBondContact CA-O 3.35Å; W225-K310 VanDerWaalsContact CB-O 3.28Å; W225-K310 WeakPolarHBondContact CB-O 3.17Å; W225-R312 HydrophobicContact CD2-CB 4.24Å; W225-R312 HydrophobicContact CD2-CG 4.26Å; W225-R312 HydrophobicContact CE3-CB 4.48Å; W225-R312 HydrophobicContact CG-CB 4.41Å; W225-R312 HydrophobicContact CZ2-CG 4.3Å |
| 226 | I | 91.7 | Very high | 93.9 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 10% | 0.097 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.2 | -42.6 | 171.1 | -61.2 | 179.4 | 0 | 0 | 0 | 109.4 | I192 L222 P223 N228 G229 L230 | I192-I226 HydrophobicContact CG2-CG2 4.35Å; L222-I226 HydrophobicContact CB-CB 4.48Å; L222-I226 HydrophobicContact CD1-CG2 3.91Å; L222-I226 HydrophobicContact CD2-CG2 4.35Å; P223-I226 HydrophobicContact CG-CB 4.28Å; P223-I226 HydrophobicContact CG-CD1 3.91Å; P223-I226 HydrophobicContact CG-CG1 3.85Å; P223-I226 PolarHBondContact O-N 3.26Å; P223-I226 VanDerWaalsContact O-N 3.11Å; I226-N228 VanDerWaalsContact C-N 3.27Å; I226-N228 PolarHBondContact O-N 2.84Å; I226-G229 PolarHBondContact O-N 3.2Å; I226-L230 WeakPolarHBondContact O-CB 3.4Å; I226-L230 PolarHBondContact O-N 3.38Å |
| 227 | K | 94.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -43.7 | 176.1 | -65.5 | 167.4 | 167 | 151 | 0 | 110.9 | L219 N220 L222 P223 A224 G229 L230 W250 L255 C257 | L219-K227 WeakPolarHBondContact O-CE 3.42Å; N220-K227 PolarHBondContact O-NZ 2.67Å; L222-K227 HydrophobicContact CB-CD 4.4Å; L222-K227 HydrophobicContact CB-CG 3.8Å; L222-K227 HydrophobicContact CD1-CG 4.43Å; L222-K227 WeakPolarHBondContact O-CE 3.2Å; L222-K227 PolarHBondContact O-NZ 3.27Å; P223-K227 WeakPolarHBondContact O-CG 3.48Å; P223-K227 PolarHBondContact O-N 3.29Å; P223-K227 VanDerWaalsContact O-N 3.13Å; A224-K227 PolarHBondContact O-N 3.08Å; K227-G229 VanDerWaalsContact C-N 3.28Å; K227-G229 PolarHBondContact O-N 2.91Å; K227-L230 PolarHBondContact O-N 3.4Å; K227-L230 VanDerWaalsContact O-N 3.12Å; K227-W250 HydrophobicContact CB-CD2 4.31Å; K227-W250 HydrophobicContact CB-CE3 4.4Å; K227-W250 HydrophobicContact CB-CH2 4.11Å; K227-W250 HydrophobicContact CB-CZ2 3.99Å; K227-W250 HydrophobicContact CB-CZ3 4.3Å; K227-W250 HydrophobicContact CD-CZ2 4.08Å; K227-W250 HydrophobicContact CG-CH2 4.12Å; K227-W250 HydrophobicContact CG-CZ2 3.63Å; K227-L255 HydrophobicContact CB-CD1 3.48Å; K227-L255 VanDerWaalsContact CB-CD1 3.48Å; K227-L255 HydrophobicContact CD-CD1 4.45Å; K227-C257 PolarHBondContact O-SG 2.88Å |
| 228 | N | 95 | Very high | 94.2 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -32.8 | -177 | -166.2 | 52.4 | 0 | 0 | 0 | 114.2 | A224 I226 L255 N256 C257 K310 | A224-N228 WeakPolarHBondContact O-CB 3.42Å; A224-N228 PolarHBondContact O-N 3.28Å; I226-N228 VanDerWaalsContact C-N 3.27Å; I226-N228 PolarHBondContact O-N 2.84Å; N228-L255 HydrophobicContact CB-CD2 4.36Å; N228-L255 WeakPolarHBondContact OD1-CA 3.27Å; N228-N256 PolarHBondContact OD1-N 3.21Å; N228-N256 PolarHBondContact OD1-OD1 2.94Å; N228-C257 WeakPolarHBondContact O-CB 3.36Å; N228-C257 PolarHBondContact O-N 3.26Å; N228-K310 HydrophobicContact CB-CB 4.44Å; N228-K310 PolarHBondContact ND2-O 2.82Å |
| 229 | G | 95.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 7% | 0.072 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 11.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T202 L203 L204 I226 K227 Y231 | T202-G229 WeakPolarHBondContact O-CA 3.33Å; L203-G229 WeakPolarHBondContact CA-O 3.19Å; L204-G229 PolarHBondContact N-O 3.41Å; I226-G229 PolarHBondContact O-N 3.2Å; K227-G229 VanDerWaalsContact C-N 3.28Å; K227-G229 PolarHBondContact O-N 2.91Å; G229-Y231 VanDerWaalsContact O-CD2 3.24Å; G229-Y231 WeakPolarHBondContact O-CD2 3.48Å; G229-Y231 WeakPolarHBondContact O-CE2 3.31Å |
| 230 | L | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 97.4 | -176.3 | -179.6 | 58.3 | 0 | 0 | 0 | 111.7 | F187 L204 L219 L222 I226 K227 F232 W250 C257 | F187-L230 HydrophobicContact CE2-CD1 4.22Å; F187-L230 HydrophobicContact CZ-CD1 3.93Å; F187-L230 HydrophobicContact CZ-CD2 4.01Å; F187-L230 HydrophobicContact CZ-CG 4.45Å; L204-L230 HydrophobicContact CB-CD1 3.97Å; L204-L230 HydrophobicContact CD2-CD1 3.92Å; L204-L230 HydrophobicContact CG-CD1 3.99Å; L204-L230 WeakPolarHBondContact O-CA 3.24Å; L219-L230 HydrophobicContact CD2-CD2 3.48Å; L219-L230 VanDerWaalsContact CD2-CD2 3.48Å; L222-L230 HydrophobicContact CD1-CD2 4.17Å; I226-L230 WeakPolarHBondContact O-CB 3.4Å; I226-L230 PolarHBondContact O-N 3.38Å; K227-L230 PolarHBondContact O-N 3.4Å; K227-L230 VanDerWaalsContact O-N 3.12Å; L230-F232 HydrophobicContact CG-CD1 4.26Å; L230-W250 HydrophobicContact CD2-CH2 4.22Å; L230-C257 WeakPolarHBondContact O-CB 3.17Å |
| 231 | Y | 97.9 | Very high | 94.4 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 13% | 0.129 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.1 | -174.8 | -55.7 | -96.4 | 0 | 0 | 0 | 110.8 | L203 L204 D205 V206 S207 G229 C257 F261 | L203-Y231 HydrophobicContact CD1-CE2 3.9Å; L203-Y231 HydrophobicContact CG-CD2 4.29Å; L203-Y231 HydrophobicContact CG-CE2 3.95Å; L204-Y231 PolarHBondContact O-N 2.8Å; D205-Y231 HydrophobicContact CB-CD2 4.39Å; V206-Y231 CarbonylContact C-O 3.22Å; V206-Y231 WeakPolarHBondContact CG2-O 3.45Å; V206-Y231 PolarHBondContact N-O 3.28Å; S207-Y231 PolarHBondContact N-O 2.95Å; G229-Y231 VanDerWaalsContact O-CD2 3.24Å; G229-Y231 WeakPolarHBondContact O-CD2 3.48Å; G229-Y231 WeakPolarHBondContact O-CE2 3.31Å; Y231-C257 HydrophobicContact CD1-CB 3.92Å; Y231-C257 VanDerWaalsContact CE1-CA 3.48Å; Y231-C257 HydrophobicContact CE1-CB 3.88Å; Y231-C257 HydrophobicContact CG-CB 4.32Å; Y231-F261 AromaticContact CD1-CD2 3.76Å; Y231-F261 HydrophobicContact CD1-CD2 3.76Å; Y231-F261 AromaticContact CD1-CE2 3.66Å; Y231-F261 HydrophobicContact CD1-CE2 3.66Å; Y231-F261 AromaticContact CE1-CD2 3.91Å; Y231-F261 HydrophobicContact CE1-CD2 3.91Å; Y231-F261 AromaticContact CE1-CE2 3.6Å; Y231-F261 HydrophobicContact CE1-CE2 3.6Å |
| 232 | F | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -142.1 | 17.5 | 177.7 | 63.6 | -90.8 | 0 | 0 | 0 | 114.2 | V206 V214 L230 N235 L237 L243 L247 W250 F265 | V206-F232 HydrophobicContact CG2-CB 3.91Å; V214-F232 HydrophobicContact CG1-CD2 3.99Å; V214-F232 HydrophobicContact CG1-CE2 4.18Å; V214-F232 HydrophobicContact CG1-CG 4.46Å; V214-F232 HydrophobicContact CG2-CE2 4.35Å; L230-F232 HydrophobicContact CG-CD1 4.26Å; F232-N235 PolarHBondContact O-ND2 3.06Å; F232-L237 HydrophobicContact CD2-CD1 3.97Å; F232-L237 HydrophobicContact CD2-CD2 4.46Å; F232-L237 HydrophobicContact CE2-CD1 4.07Å; F232-L243 HydrophobicContact CE2-CD1 4.32Å; F232-L247 HydrophobicContact CE2-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CD2 3.98Å; F232-W250 HydrophobicContact CE1-CH2 4.04Å; F232-W250 AromaticContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CZ-CZ3 4.44Å; F232-F265 HydrophobicContact CD2-CE1 4.1Å; F232-F265 AromaticContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CZ-CE1 4.17Å | ||
| 233 | H | 96.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | trans | -59.2 | 168.5 | 172 | 57.4 | 98 | 0 | 0 | 0 | 112.7 | S207 S208 N235 F261 E264 F265 | S207-H233 CarbonylContact C-O 3.57Å; S207-H233 VanDerWaalsContact CA-O 3.23Å; S207-H233 WeakPolarHBondContact CA-O 3.36Å; S207-H233 VanDerWaalsContact CB-CE1 3.42Å; S207-H233 WeakPolarHBondContact CB-CE1 3.36Å; S207-H233 VanDerWaalsContact CB-NE2 3.33Å; S207-H233 WeakPolarHBondContact CB-NE2 3.47Å; S207-H233 WeakPolarHBondContact CB-O 3.2Å; S208-H233 PolarHBondContact N-O 3.28Å; H233-N235 PolarHBondContact O-N 3.04Å; H233-N235 VanDerWaalsContact O-N 3.14Å; H233-N235 PolarHBondContact O-ND2 3.39Å; H233-F261 HydrophobicContact CB-CB 4.14Å; H233-F261 AromaticContact CD2-CD2 4Å; H233-F261 AromaticContact CD2-CG 3.65Å; H233-F261 AromaticContact CE1-CD1 3.26Å; H233-F261 WeakPolarHBondContact CE1-CD1 3.4Å; H233-F261 AromaticContact CE1-CE1 3.61Å; H233-F261 AromaticContact CE1-CG 3.63Å; H233-F261 AromaticContact CG-CG 3.96Å; H233-F261 AromaticContact ND1-CD1 3.69Å; H233-F261 AromaticContact ND1-CG 3.94Å; H233-F261 AromaticContact NE2-CD1 3.58Å; H233-F261 AromaticContact NE2-CD2 3.73Å; H233-F261 AromaticContact NE2-CE1 3.9Å; H233-F261 AromaticContact NE2-CG 3.49Å; H233-F261 WeakPolarHBondContact NE2-CG 3.19Å; H233-E264 HydrophobicContact CB-CB 3.79Å; H233-E264 IonicContact CE1-OE2 3.48Å; H233-E264 PolarHBondContact CE1-OE2 3.24Å; H233-E264 IonicContact CG-OE2 3.89Å; H233-E264 IonicContact ND1-OE2 2.75Å; H233-E264 PolarHBondContact ND1-OE2 2.92Å; H233-F265 HydrophobicContact CB-CD1 4.37Å; H233-F265 HydrophobicContact CB-CD2 4.09Å; H233-F265 HydrophobicContact CB-CE1 4.14Å; H233-F265 HydrophobicContact CB-CE2 3.81Å; H233-F265 HydrophobicContact CB-CG 4.35Å; H233-F265 HydrophobicContact CB-CZ 3.85Å | ||
| 234 | N | 96.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 26.4 Ų | 26.4 | 40% | 0.396 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 52.8 | 33 | -177.5 | -166.1 | 26.2 | 0 | 0 | 0 | 114.3 | S208 E264 | S208-N234 WeakPolarHBondContact CA-O 3.41Å; S208-N234 PolarHBondContact OG-ND2 3.11Å; N234-E264 PolarHBondContact N-O 3.4Å |
| 235 | N | 97.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -106.7 | 152.3 | 173.4 | -88 | -84.9 | 0 | 0 | 0 | 110.9 | V206 N209 R210 I211 F232 H233 L237 | V206-N235 PolarHBondContact O-ND2 3.48Å; N209-N235 VanDerWaalsContact CA-OD1 3.26Å; N209-N235 WeakPolarHBondContact CA-OD1 3.15Å; N209-N235 WeakPolarHBondContact CB-OD1 3.32Å; N209-N235 PolarHBondContact N-OD1 3.13Å; N209-N235 PolarHBondContact O-OD1 2.61Å; R210-N235 PolarHBondContact N-OD1 3.16Å; I211-N235 HydrophobicContact CB-CB 4.27Å; I211-N235 VanDerWaalsContact CB-OD1 3.28Å; I211-N235 WeakPolarHBondContact CB-OD1 3.4Å; I211-N235 PolarHBondContact N-OD1 3.21Å; F232-N235 PolarHBondContact O-ND2 3.06Å; H233-N235 PolarHBondContact O-N 3.04Å; H233-N235 VanDerWaalsContact O-N 3.14Å; H233-N235 PolarHBondContact O-ND2 3.39Å; N235-L237 HydrophobicContact CB-CD2 4.03Å; N235-L237 HydrophobicContact CB-CG 3.93Å; N235-L237 PolarHBondContact O-N 2.93Å |
| 236 | P | 96.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 26.3 Ų | 26.3 | 27% | 0.266 | 15% | 0.149 | S | C | . | . | trans | -77.5 | 53.1 | 176.8 | 35 | -38 | 0 | 0 | 0 | 112.4 | N209 I211 K212 V268 | N209-P236 VanDerWaalsContact O-CD 3.25Å; N209-P236 WeakPolarHBondContact O-CD 3.34Å; I211-P236 CarbonylContact O-C 3.56Å; I211-P236 WeakPolarHBondContact O-CD 3.38Å; K212-P236 WeakPolarHBondContact CA-O 3.27Å; K212-P236 HydrophobicContact CG-CG 4.4Å; P236-V268 HydrophobicContact CB-CG2 4.37Å | ||
| 237 | L | 97 | Very high | 95 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 143.6 | -178.6 | -59 | 171.9 | 0 | 0 | 0 | 111 | I211 V214 F232 N235 L243 C267 V268 I277 | I211-L237 HydrophobicContact CG2-CD2 4.22Å; I211-L237 PolarHBondContact O-N 3.34Å; V214-L237 HydrophobicContact CG1-CD2 3.99Å; F232-L237 HydrophobicContact CD2-CD1 3.97Å; F232-L237 HydrophobicContact CD2-CD2 4.46Å; F232-L237 HydrophobicContact CE2-CD1 4.07Å; N235-L237 HydrophobicContact CB-CD2 4.03Å; N235-L237 HydrophobicContact CB-CG 3.93Å; N235-L237 PolarHBondContact O-N 2.93Å; L237-L243 HydrophobicContact CB-CD2 3.99Å; L237-L243 HydrophobicContact CD1-CD2 4.19Å; L237-C267 HydrophobicContact CB-CB 4.33Å; L237-C267 CarbonylContact O-C 3.2Å; L237-C267 VanDerWaalsContact O-CA 3.26Å; L237-C267 WeakPolarHBondContact O-CA 3.42Å; L237-C267 WeakPolarHBondContact O-CB 3.41Å; L237-V268 PolarHBondContact O-N 3.49Å; L237-I277 HydrophobicContact CD1-CD1 4.07Å |
| 238 | Q | 95.3 | Very high | 95 | Very high | 92 Ų | 92 | 25.2 Ų | 25.2 | 43% | 0.43 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.8 | 171.7 | -69.5 | -178.1 | -21.4 | 0 | 0 | 110.5 | K212 T240 | K212-Q238 PolarHBondContact O-N 2.96Å; Q238-T240 PolarHBondContact O-N 3.03Å |
| 239 | C | 93.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 124.7 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | C267 V268 L269 L280 M285 | C239-C267 WeakPolarHBondContact CA-SG 3.23Å; C239-C267 HydrophobicContact CB-CB 3.98Å; C239-C267 WeakPolarHBondContact CB-SG 3.2Å; C239-C267 WeakPolarHBondContact SG-CB 3.49Å; C239-C267 CovalentContact SG-SG 2.04Å; C239-C267 PolarHBondContact SG-SG 2.95Å; C239-V268 PolarHBondContact N-O 2.9Å; C239-V268 PolarHBondContact SG-N 3.09Å; C239-L269 HydrophobicContact CB-CG 4.39Å; C239-L280 HydrophobicContact CB-CD1 4.28Å; C239-L280 HydrophobicContact CB-CD2 4.05Å; C239-M285 HydrophobicContact CB-SD 3.85Å |
| 240 | T | 92.7 | Very high | 94.9 | Very high | 54 Ų | 54 | 26.4 Ų | 26.4 | 33% | 0.331 | 15% | 0.149 | S | C | . | . | trans | -143.2 | 152.2 | 169.3 | 69.4 | 0 | 0 | 0 | 0 | 109.9 | Q238 S242 L243 Y244 | Q238-T240 PolarHBondContact O-N 3.03Å; T240-S242 PolarHBondContact O-N 2.8Å; T240-S242 PolarHBondContact OG1-OG 3.35Å; T240-L243 PolarHBondContact O-N 3.49Å; T240-L243 WeakPolarHBondContact OG1-CB 3.32Å; T240-L243 PolarHBondContact OG1-N 3.31Å; T240-L243 VanDerWaalsContact OG1-N 3.08Å; T240-Y244 PolarHBondContact O-N 2.9Å; T240-Y244 VanDerWaalsContact O-N 3.1Å | ||
| 241 | C | 91.6 | Very high | 94.8 | Very high | 45 Ų | 45 | 29.8 Ų | 29.8 | 30% | 0.304 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.2 | -24.8 | 173.4 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | Y244 T245 C287 | C241-Y244 PolarHBondContact O-N 2.94Å; C241-T245 WeakPolarHBondContact O-CB 3.47Å; C241-T245 PolarHBondContact O-N 2.98Å; C241-T245 PolarHBondContact O-OG1 3.49Å; C241-C287 WeakPolarHBondContact CA-SG 3.49Å; C241-C287 HydrophobicContact CB-CB 3.72Å; C241-C287 WeakPolarHBondContact CB-SG 3Å; C241-C287 VanDerWaalsContact SG-CA 3.51Å; C241-C287 WeakPolarHBondContact SG-CB 3.35Å; C241-C287 CovalentContact SG-SG 2.04Å; C241-C287 PolarHBondContact SG-SG 2.98Å |
| 242 | S | 93.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 42% | 0.42 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68 | -35.9 | 172.9 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | T240 L246 | T240-S242 PolarHBondContact O-N 2.8Å; T240-S242 PolarHBondContact OG1-OG 3.35Å; S242-L246 WeakPolarHBondContact O-CB 3.37Å; S242-L246 PolarHBondContact O-N 3.02Å; S242-L246 VanDerWaalsContact O-N 3.07Å |
| 243 | L | 94 | Very high | 94.2 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.8 | -40 | 173 | 178 | 61.3 | 0 | 0 | 0 | 111.7 | V214 I216 F232 L237 T240 L247 I277 | V214-L243 HydrophobicContact CG2-CD1 3.93Å; I216-L243 HydrophobicContact CD1-CB 4.22Å; I216-L243 HydrophobicContact CD1-CD1 4.09Å; F232-L243 HydrophobicContact CE2-CD1 4.32Å; L237-L243 HydrophobicContact CB-CD2 3.99Å; L237-L243 HydrophobicContact CD1-CD2 4.19Å; T240-L243 PolarHBondContact O-N 3.49Å; T240-L243 WeakPolarHBondContact OG1-CB 3.32Å; T240-L243 PolarHBondContact OG1-N 3.31Å; T240-L243 VanDerWaalsContact OG1-N 3.08Å; L243-L247 HydrophobicContact CD1-CD1 3.77Å; L243-L247 HydrophobicContact CD1-CG 4.41Å; L243-L247 HydrophobicContact CG-CD1 4.16Å; L243-L247 PolarHBondContact O-N 3.06Å; L243-L247 VanDerWaalsContact O-N 3.13Å; L243-I277 HydrophobicContact CD2-CD1 3.75Å; L243-I277 HydrophobicContact CD2-CG1 4.43Å; L243-I277 HydrophobicContact CG-CD1 4.05Å |
| 244 | Y | 93.3 | Very high | 94 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -53.4 | 170.6 | 167.1 | -97 | 0 | 0 | 0 | 111.4 | T240 C241 L246 L247 A248 I277 L280 S281 C287 S288 | T240-Y244 PolarHBondContact O-N 2.9Å; T240-Y244 VanDerWaalsContact O-N 3.1Å; C241-Y244 PolarHBondContact O-N 2.94Å; Y244-L246 VanDerWaalsContact C-N 3.33Å; Y244-L246 PolarHBondContact O-N 3.46Å; Y244-L247 PolarHBondContact O-N 3.46Å; Y244-A248 HydrophobicContact CE1-CB 4.41Å; Y244-A248 VanDerWaalsContact O-CB 3.24Å; Y244-A248 WeakPolarHBondContact O-CB 3.38Å; Y244-A248 PolarHBondContact O-N 3.1Å; Y244-I277 WeakPolarHBondContact CD2-O 3.2Å; Y244-L280 HydrophobicContact CD2-CB 4.24Å; Y244-L280 HydrophobicContact CG-CB 4.47Å; Y244-S281 VanDerWaalsContact OH-CB 3.3Å; Y244-S281 WeakPolarHBondContact OH-CB 3.36Å; Y244-S281 PolarHBondContact OH-OG 3.34Å; Y244-S281 VanDerWaalsContact OH-OG 3.12Å; Y244-C287 HydrophobicContact CD1-CB 3.91Å; Y244-C287 HydrophobicContact CE1-CB 4.36Å; Y244-C287 HydrophobicContact CG-CB 4.33Å; Y244-S288 WeakPolarHBondContact CE1-O 3Å |
| 245 | T | 92.6 | Very high | 94 | Very high | 49 Ų | 49 | 37 Ų | 37 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.9 | -44.3 | 179.9 | -76.5 | 0 | 0 | 0 | 0 | 112.2 | C241 H249 F290 | C241-T245 WeakPolarHBondContact O-CB 3.47Å; C241-T245 PolarHBondContact O-N 2.98Å; C241-T245 PolarHBondContact O-OG1 3.49Å; T245-H249 WeakPolarHBondContact O-CB 3.25Å; T245-H249 PolarHBondContact O-N 3.27Å; T245-F290 HydrophobicContact CG2-CD2 3.85Å; T245-F290 HydrophobicContact CG2-CE2 4.23Å |
| 246 | L | 94.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -52.6 | 176 | -177 | 72.2 | 0 | 0 | 0 | 111.4 | I216 L219 N220 S242 Y244 H249 W250 | I216-L246 HydrophobicContact CD1-CB 4.43Å; I216-L246 HydrophobicContact CD1-CD2 3.71Å; L219-L246 HydrophobicContact CB-CD1 4.41Å; L219-L246 HydrophobicContact CB-CD2 4.15Å; L219-L246 HydrophobicContact CD1-CD2 3.83Å; N220-L246 WeakPolarHBondContact OD1-CD1 3.29Å; S242-L246 WeakPolarHBondContact O-CB 3.37Å; S242-L246 PolarHBondContact O-N 3.02Å; S242-L246 VanDerWaalsContact O-N 3.07Å; Y244-L246 VanDerWaalsContact C-N 3.33Å; Y244-L246 PolarHBondContact O-N 3.46Å; L246-H249 PolarHBondContact O-N 3.4Å; L246-W250 HydrophobicContact CD1-CZ2 3.8Å; L246-W250 VanDerWaalsContact CD1-NE1 3.32Å; L246-W250 HydrophobicContact CD2-CZ2 4.11Å; L246-W250 HydrophobicContact CG-CZ2 4Å; L246-W250 VanDerWaalsContact O-CG 3.3Å; L246-W250 PolarHBondContact O-N 2.88Å |
| 247 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.6 | -29.4 | -175.8 | -72.4 | 166 | 0 | 0 | 0 | 113 | F232 L243 Y244 W250 F251 V258 F265 I277 F278 | F232-L247 HydrophobicContact CE2-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CD2 3.98Å; L243-L247 HydrophobicContact CD1-CD1 3.77Å; L243-L247 HydrophobicContact CD1-CG 4.41Å; L243-L247 HydrophobicContact CG-CD1 4.16Å; L243-L247 PolarHBondContact O-N 3.06Å; L243-L247 VanDerWaalsContact O-N 3.13Å; Y244-L247 PolarHBondContact O-N 3.46Å; L247-W250 HydrophobicContact CD2-CE3 4.41Å; L247-W250 PolarHBondContact O-N 3.33Å; L247-F251 VanDerWaalsContact O-CB 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.48Å; L247-F251 PolarHBondContact O-N 2.89Å; L247-V258 HydrophobicContact CD2-CG1 4.31Å; L247-V258 HydrophobicContact CD2-CG2 3.58Å; L247-F265 HydrophobicContact CD1-CD1 3.56Å; L247-F265 HydrophobicContact CD1-CE1 4.05Å; L247-F265 HydrophobicContact CD1-CG 4.26Å; L247-F265 HydrophobicContact CD2-CD1 3.92Å; L247-F265 HydrophobicContact CD2-CE1 3.64Å; L247-F265 HydrophobicContact CD2-CZ 4.08Å; L247-F265 HydrophobicContact CG-CD1 4.41Å; L247-I277 HydrophobicContact CD1-CD1 3.73Å; L247-I277 HydrophobicContact CD1-CG2 3.98Å; L247-F278 HydrophobicContact CB-CE1 4.37Å; L247-F278 HydrophobicContact CB-CZ 4.21Å |
| 248 | A | 93 | Very high | 93.8 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y244 F251 I252 F290 | Y244-A248 HydrophobicContact CE1-CB 4.41Å; Y244-A248 VanDerWaalsContact O-CB 3.24Å; Y244-A248 WeakPolarHBondContact O-CB 3.38Å; Y244-A248 PolarHBondContact O-N 3.1Å; A248-F251 PolarHBondContact O-N 3.27Å; A248-I252 WeakPolarHBondContact O-CG1 3.31Å; A248-I252 PolarHBondContact O-N 3.34Å; A248-F290 HydrophobicContact CB-CB 3.84Å; A248-F290 HydrophobicContact CB-CG 4.5Å |
| 249 | H | 92.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 172.2 | 174.9 | -160.1 | 0 | 0 | 0 | 111.2 | T245 L246 F251 I252 R253 F290 | T245-H249 WeakPolarHBondContact O-CB 3.25Å; T245-H249 PolarHBondContact O-N 3.27Å; L246-H249 PolarHBondContact O-N 3.4Å; H249-F251 VanDerWaalsContact C-N 3.31Å; H249-F251 PolarHBondContact O-N 3.35Å; H249-I252 PolarHBondContact O-N 3.07Å; H249-R253 WeakPolarHBondContact O-CB 3.45Å; H249-R253 PolarHBondContact O-N 3.33Å; H249-F290 HydrophobicContact CB-CD1 4.24Å; H249-F290 HydrophobicContact CB-CD2 4.41Å; H249-F290 HydrophobicContact CB-CE1 3.78Å; H249-F290 HydrophobicContact CB-CE2 3.96Å; H249-F290 HydrophobicContact CB-CZ 3.61Å; H249-F290 AromaticContact CG-CZ 3.73Å |
| 250 | W | 95.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -34.1 | 179.3 | -67.6 | 19.9 | 0 | 0 | 0 | 112.4 | L219 K227 L230 F232 L246 L247 K254 L255 V258 | L219-W250 HydrophobicContact CB-CZ2 4.28Å; K227-W250 HydrophobicContact CB-CD2 4.31Å; K227-W250 HydrophobicContact CB-CE3 4.4Å; K227-W250 HydrophobicContact CB-CH2 4.11Å; K227-W250 HydrophobicContact CB-CZ2 3.99Å; K227-W250 HydrophobicContact CB-CZ3 4.3Å; K227-W250 HydrophobicContact CD-CZ2 4.08Å; K227-W250 HydrophobicContact CG-CH2 4.12Å; K227-W250 HydrophobicContact CG-CZ2 3.63Å; L230-W250 HydrophobicContact CD2-CH2 4.22Å; F232-W250 HydrophobicContact CE1-CH2 4.04Å; F232-W250 AromaticContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CZ-CZ3 4.44Å; L246-W250 HydrophobicContact CD1-CZ2 3.8Å; L246-W250 VanDerWaalsContact CD1-NE1 3.32Å; L246-W250 HydrophobicContact CD2-CZ2 4.11Å; L246-W250 HydrophobicContact CG-CZ2 4Å; L246-W250 VanDerWaalsContact O-CG 3.3Å; L246-W250 PolarHBondContact O-N 2.88Å; L247-W250 HydrophobicContact CD2-CE3 4.41Å; L247-W250 PolarHBondContact O-N 3.33Å; W250-K254 PolarHBondContact O-N 3.28Å; W250-K254 VanDerWaalsContact O-N 3.1Å; W250-L255 HydrophobicContact CB-CB 4.38Å; W250-L255 HydrophobicContact CB-CD1 3.84Å; W250-L255 HydrophobicContact CB-CG 4.16Å; W250-L255 HydrophobicContact CD2-CD1 3.91Å; W250-L255 HydrophobicContact CE3-CD1 4.23Å; W250-L255 HydrophobicContact CG-CD1 3.7Å; W250-L255 WeakPolarHBondContact O-CG 3.26Å; W250-L255 PolarHBondContact O-N 3.19Å; W250-V258 HydrophobicContact CB-CB 4.45Å; W250-V258 HydrophobicContact CB-CG2 3.72Å; W250-V258 HydrophobicContact CD2-CG2 4.47Å; W250-V258 HydrophobicContact CE3-CG2 3.81Å |
| 251 | F | 94.5 | Very high | 94 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 31% | 0.311 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69 | -41.6 | 173.9 | -176.8 | -103.4 | 0 | 0 | 0 | 112.5 | L247 A248 H249 K254 V258 V259 R262 F278 | L247-F251 VanDerWaalsContact O-CB 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.48Å; L247-F251 PolarHBondContact O-N 2.89Å; A248-F251 PolarHBondContact O-N 3.27Å; H249-F251 VanDerWaalsContact C-N 3.31Å; H249-F251 PolarHBondContact O-N 3.35Å; F251-K254 VanDerWaalsContact O-CA 3.29Å; F251-K254 WeakPolarHBondContact O-CA 3.26Å; F251-K254 PolarHBondContact O-N 3.19Å; F251-V258 HydrophobicContact CB-CG1 3.96Å; F251-V258 HydrophobicContact CD2-CG1 4.33Å; F251-V259 HydrophobicContact CD2-CG2 4.37Å; F251-R262 HydrophobicContact CE2-CG 4.39Å; F251-F278 HydrophobicContact CB-CE1 4.14Å; F251-F278 HydrophobicContact CB-CZ 4.45Å; F251-F278 HydrophobicContact CG-CE1 4.46Å |
| 252 | I | 90.7 | Very high | 94 | Very high | 86 Ų | 86 | 44 Ų | 44 | 44% | 0.441 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 176 | -74 | 160.3 | 0 | 0 | 0 | 111.2 | A248 H249 K254 F290 | A248-I252 WeakPolarHBondContact O-CG1 3.31Å; A248-I252 PolarHBondContact O-N 3.34Å; H249-I252 PolarHBondContact O-N 3.07Å; I252-K254 PolarHBondContact O-N 2.93Å; I252-K254 VanDerWaalsContact O-N 3.15Å; I252-F290 HydrophobicContact CD1-CD1 3.69Å; I252-F290 HydrophobicContact CD1-CE1 4.4Å |
| 253 | R | 91.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.3 | 168.4 | -71.7 | -61.4 | -50.4 | -82.2 | -4.2 | 113.2 | H249 L255 D308 K310 E366 | H249-R253 WeakPolarHBondContact O-CB 3.45Å; H249-R253 PolarHBondContact O-N 3.33Å; R253-L255 HydrophobicContact CB-CD2 4.17Å; R253-L255 HydrophobicContact CB-CG 4.24Å; R253-D308 PolarHBondContact NH1-O 3.4Å; R253-D308 PolarHBondContact NH2-O 3.26Å; R253-K310 WeakPolarHBondContact O-CE 3.27Å; R253-K310 PolarHBondContact O-NZ 3.36Å; R253-E366 IonicContact CZ-OE1 2.61Å; R253-E366 IonicContact NE-OE1 3.79Å; R253-E366 IonicContact NH2-OE1 3.99Å; R253-E366 PolarHBondContact NH2-OE1 3.37Å |
| 254 | K | 93.7 | Very high | 94 | Very high | 142 Ų | 142 | 50.6 Ų | 50.6 | 62% | 0.617 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 52.8 | -177.4 | -55 | 171.8 | -174.5 | 173.2 | 0 | 112.4 | W250 F251 I252 V259 K310 | W250-K254 PolarHBondContact O-N 3.28Å; W250-K254 VanDerWaalsContact O-N 3.1Å; F251-K254 VanDerWaalsContact O-CA 3.29Å; F251-K254 WeakPolarHBondContact O-CA 3.26Å; F251-K254 PolarHBondContact O-N 3.19Å; I252-K254 PolarHBondContact O-N 2.93Å; I252-K254 VanDerWaalsContact O-N 3.15Å; K254-V259 HydrophobicContact CB-CG2 4.07Å; K254-K310 WeakPolarHBondContact O-CE 3.11Å; K254-K310 PolarHBondContact O-NZ 3.37Å |
| 255 | L | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | trans | -77 | 131.6 | 173.3 | -57 | -167.4 | 0 | 0 | 0 | 110.3 | A224 K227 N228 W250 R253 C257 V258 V259 K310 | A224-L255 HydrophobicContact CB-CD2 4.45Å; K227-L255 HydrophobicContact CB-CD1 3.48Å; K227-L255 VanDerWaalsContact CB-CD1 3.48Å; K227-L255 HydrophobicContact CD-CD1 4.45Å; N228-L255 HydrophobicContact CB-CD2 4.36Å; N228-L255 WeakPolarHBondContact OD1-CA 3.27Å; W250-L255 HydrophobicContact CB-CB 4.38Å; W250-L255 HydrophobicContact CB-CD1 3.84Å; W250-L255 HydrophobicContact CB-CG 4.16Å; W250-L255 HydrophobicContact CD2-CD1 3.91Å; W250-L255 HydrophobicContact CE3-CD1 4.23Å; W250-L255 HydrophobicContact CG-CD1 3.7Å; W250-L255 WeakPolarHBondContact O-CG 3.26Å; W250-L255 PolarHBondContact O-N 3.19Å; R253-L255 HydrophobicContact CB-CD2 4.17Å; R253-L255 HydrophobicContact CB-CG 4.24Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.96Å; L255-V258 PolarHBondContact O-N 3.18Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 3.38Å; L255-K310 HydrophobicContact CD2-CD 4.11Å; L255-K310 HydrophobicContact CD2-CG 3.68Å | ||
| 256 | N | 95.3 | Very high | 94.1 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -52.1 | -47.8 | -174.8 | -69.8 | 37.9 | 0 | 0 | 0 | 111.9 | N228 V258 V259 D260 | N228-N256 PolarHBondContact OD1-N 3.21Å; N228-N256 PolarHBondContact OD1-OD1 2.94Å; N256-V258 PolarHBondContact O-N 3.4Å; N256-V259 PolarHBondContact O-N 3.29Å; N256-D260 WeakPolarHBondContact CB-OD2 3.07Å; N256-D260 WeakPolarHBondContact O-CB 3.26Å; N256-D260 VanDerWaalsContact O-CG 3.24Å; N256-D260 PolarHBondContact O-N 2.96Å |
| 257 | C | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.7 | -17.6 | 176.4 | 63.1 | 0 | 0 | 0 | 0 | 116.1 | K227 N228 L230 Y231 L255 F265 | K227-C257 PolarHBondContact O-SG 2.88Å; N228-C257 WeakPolarHBondContact O-CB 3.36Å; N228-C257 PolarHBondContact O-N 3.26Å; L230-C257 WeakPolarHBondContact O-CB 3.17Å; Y231-C257 HydrophobicContact CD1-CB 3.92Å; Y231-C257 VanDerWaalsContact CE1-CA 3.48Å; Y231-C257 HydrophobicContact CE1-CB 3.88Å; Y231-C257 HydrophobicContact CG-CB 4.32Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.96Å; C257-F265 WeakPolarHBondContact O-CE2 3.23Å; C257-F265 VanDerWaalsContact O-CZ 3.25Å; C257-F265 WeakPolarHBondContact O-CZ 3.34Å |
| 258 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -114.8 | -34.2 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 112.6 | L247 W250 F251 L255 N256 R262 F265 F278 | L247-V258 HydrophobicContact CD2-CG1 4.31Å; L247-V258 HydrophobicContact CD2-CG2 3.58Å; W250-V258 HydrophobicContact CB-CB 4.45Å; W250-V258 HydrophobicContact CB-CG2 3.72Å; W250-V258 HydrophobicContact CD2-CG2 4.47Å; W250-V258 HydrophobicContact CE3-CG2 3.81Å; F251-V258 HydrophobicContact CB-CG1 3.96Å; F251-V258 HydrophobicContact CD2-CG1 4.33Å; L255-V258 PolarHBondContact O-N 3.18Å; N256-V258 PolarHBondContact O-N 3.4Å; V258-R262 VanDerWaalsContact O-CA 3.29Å; V258-R262 WeakPolarHBondContact O-CA 3.1Å; V258-R262 WeakPolarHBondContact O-CB 3.35Å; V258-R262 PolarHBondContact O-N 2.94Å; V258-F265 HydrophobicContact CB-CE2 4.48Å; V258-F265 HydrophobicContact CG1-CE2 4.49Å; V258-F265 HydrophobicContact CG2-CE2 4.42Å; V258-F265 HydrophobicContact CG2-CZ 4.33Å; V258-F278 HydrophobicContact CG1-CE2 4.41Å; V258-F278 HydrophobicContact CG1-CZ 3.61Å |
| 259 | V | 95.1 | Very high | 94.1 | Very high | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.3 | -47 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F251 K254 L255 N256 F261 | F251-V259 HydrophobicContact CD2-CG2 4.37Å; K254-V259 HydrophobicContact CB-CG2 4.07Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 3.38Å; N256-V259 PolarHBondContact O-N 3.29Å; V259-F261 VanDerWaalsContact C-N 3.34Å; V259-F261 PolarHBondContact O-N 3.11Å |
| 260 | D | 94.9 | Very high | 93.8 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -27 | -171.8 | -55.3 | -21.8 | 0 | 0 | 0 | 111.9 | N256 | N256-D260 WeakPolarHBondContact CB-OD2 3.07Å; N256-D260 WeakPolarHBondContact O-CB 3.26Å; N256-D260 VanDerWaalsContact O-CG 3.24Å; N256-D260 PolarHBondContact O-N 2.96Å |
| 261 | F | 95.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 21.8 | -173.1 | -62.7 | -77.9 | 0 | 0 | 0 | 113.7 | Y231 H233 V259 D263 E264 F265 | Y231-F261 AromaticContact CD1-CD2 3.76Å; Y231-F261 HydrophobicContact CD1-CD2 3.76Å; Y231-F261 AromaticContact CD1-CE2 3.66Å; Y231-F261 HydrophobicContact CD1-CE2 3.66Å; Y231-F261 AromaticContact CE1-CD2 3.91Å; Y231-F261 HydrophobicContact CE1-CD2 3.91Å; Y231-F261 AromaticContact CE1-CE2 3.6Å; Y231-F261 HydrophobicContact CE1-CE2 3.6Å; H233-F261 HydrophobicContact CB-CB 4.14Å; H233-F261 AromaticContact CD2-CD2 4Å; H233-F261 AromaticContact CD2-CG 3.65Å; H233-F261 AromaticContact CE1-CD1 3.26Å; H233-F261 WeakPolarHBondContact CE1-CD1 3.4Å; H233-F261 AromaticContact CE1-CE1 3.61Å; H233-F261 AromaticContact CE1-CG 3.63Å; H233-F261 AromaticContact CG-CG 3.96Å; H233-F261 AromaticContact ND1-CD1 3.69Å; H233-F261 AromaticContact ND1-CG 3.94Å; H233-F261 AromaticContact NE2-CD1 3.58Å; H233-F261 AromaticContact NE2-CD2 3.73Å; H233-F261 AromaticContact NE2-CE1 3.9Å; H233-F261 AromaticContact NE2-CG 3.49Å; H233-F261 WeakPolarHBondContact NE2-CG 3.19Å; V259-F261 VanDerWaalsContact C-N 3.34Å; V259-F261 PolarHBondContact O-N 3.11Å; F261-D263 VanDerWaalsContact C-N 3.27Å; F261-D263 PolarHBondContact O-N 3.43Å; F261-D263 VanDerWaalsContact O-N 3.13Å; F261-E264 WeakPolarHBondContact O-CB 3.32Å; F261-E264 PolarHBondContact O-N 3.26Å; F261-F265 HydrophobicContact CB-CE2 4.14Å; F261-F265 VanDerWaalsContact O-CD2 3.27Å; F261-F265 WeakPolarHBondContact O-CD2 3.42Å |
| 262 | R | 93 | Very high | 92.9 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 42% | 0.419 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -47.5 | -46.2 | -172.5 | -171.5 | -171.8 | 179.6 | -164.5 | -4.5 | 113.8 | F251 V258 E264 F265 F278 | F251-R262 HydrophobicContact CE2-CG 4.39Å; V258-R262 VanDerWaalsContact O-CA 3.29Å; V258-R262 WeakPolarHBondContact O-CA 3.1Å; V258-R262 WeakPolarHBondContact O-CB 3.35Å; V258-R262 PolarHBondContact O-N 2.94Å; R262-E264 PolarHBondContact O-N 2.94Å; R262-F265 PolarHBondContact O-N 2.82Å; R262-F278 HydrophobicContact CG-CD2 3.87Å; R262-F278 HydrophobicContact CG-CE2 3.66Å; R262-F278 HydrophobicContact CG-CZ 4.39Å |
| 263 | D | 91.8 | Very high | 92.8 | Very high | 127 Ų | 127 | 62.5 Ų | 62.5 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -80.6 | -2.3 | -175.1 | -60.4 | -20.7 | 0 | 0 | 0 | 113.3 | F261 Q276 | F261-D263 VanDerWaalsContact C-N 3.27Å; F261-D263 PolarHBondContact O-N 3.43Å; F261-D263 VanDerWaalsContact O-N 3.13Å; D263-Q276 PolarHBondContact O-NE2 3.29Å; D263-Q276 PolarHBondContact O-OE1 3.05Å |
| 264 | E | 95 | Very high | 92.8 | Very high | 77 Ų | 77 | 67.2 Ų | 67.2 | 36% | 0.36 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -98.9 | -6.8 | 172.7 | -66.6 | -169.9 | -143.8 | 0 | 0 | 113.3 | H233 N234 F261 R262 T266 | H233-E264 HydrophobicContact CB-CB 3.79Å; H233-E264 IonicContact CE1-OE2 3.48Å; H233-E264 PolarHBondContact CE1-OE2 3.24Å; H233-E264 IonicContact CG-OE2 3.89Å; H233-E264 IonicContact ND1-OE2 2.75Å; H233-E264 PolarHBondContact ND1-OE2 2.92Å; N234-E264 PolarHBondContact N-O 3.4Å; F261-E264 WeakPolarHBondContact O-CB 3.32Å; F261-E264 PolarHBondContact O-N 3.26Å; R262-E264 PolarHBondContact O-N 2.94Å; E264-T266 PolarHBondContact O-N 3.11Å |
| 265 | F | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | trans | -77.4 | 66.8 | 174.4 | -79.7 | -79.7 | 0 | 0 | 0 | 111.9 | F232 H233 L247 C257 V258 F261 R262 Q276 I277 F278 | F232-F265 HydrophobicContact CD2-CE1 4.1Å; F232-F265 AromaticContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CZ-CE1 4.17Å; H233-F265 HydrophobicContact CB-CD1 4.37Å; H233-F265 HydrophobicContact CB-CD2 4.09Å; H233-F265 HydrophobicContact CB-CE1 4.14Å; H233-F265 HydrophobicContact CB-CE2 3.81Å; H233-F265 HydrophobicContact CB-CG 4.35Å; H233-F265 HydrophobicContact CB-CZ 3.85Å; L247-F265 HydrophobicContact CD1-CD1 3.56Å; L247-F265 HydrophobicContact CD1-CE1 4.05Å; L247-F265 HydrophobicContact CD1-CG 4.26Å; L247-F265 HydrophobicContact CD2-CD1 3.92Å; L247-F265 HydrophobicContact CD2-CE1 3.64Å; L247-F265 HydrophobicContact CD2-CZ 4.08Å; L247-F265 HydrophobicContact CG-CD1 4.41Å; C257-F265 WeakPolarHBondContact O-CE2 3.23Å; C257-F265 VanDerWaalsContact O-CZ 3.25Å; C257-F265 WeakPolarHBondContact O-CZ 3.34Å; V258-F265 HydrophobicContact CB-CE2 4.48Å; V258-F265 HydrophobicContact CG1-CE2 4.49Å; V258-F265 HydrophobicContact CG2-CE2 4.42Å; V258-F265 HydrophobicContact CG2-CZ 4.33Å; F261-F265 HydrophobicContact CB-CE2 4.14Å; F261-F265 VanDerWaalsContact O-CD2 3.27Å; F261-F265 WeakPolarHBondContact O-CD2 3.42Å; R262-F265 PolarHBondContact O-N 2.82Å; F265-Q276 PolarHBondContact O-OE1 3.06Å; F265-I277 HydrophobicContact CB-CD1 4.19Å; F265-I277 HydrophobicContact CD1-CD1 4.45Å; F265-I277 VanDerWaalsContact O-CB 3.29Å; F265-I277 WeakPolarHBondContact O-CB 3.27Å; F265-I277 WeakPolarHBondContact O-CD1 3.03Å; F265-I277 VanDerWaalsContact O-CG1 3.23Å; F265-I277 WeakPolarHBondContact O-CG1 3.07Å; F265-I277 PolarHBondContact O-N 3.45Å; F265-F278 HydrophobicContact CB-CE2 4.09Å | ||
| 266 | T | 94.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 64 Ų | 64 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 154.5 | 170.7 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | E264 T275 Q276 | E264-T266 PolarHBondContact O-N 3.11Å; T266-T275 CarbonylContact C-O 3.58Å; T266-T275 WeakPolarHBondContact CA-O 3.28Å; T266-T275 WeakPolarHBondContact CB-O 3.15Å; T266-Q276 VanDerWaalsContact CG2-OE1 3.24Å |
| 267 | C | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 165 | 168.5 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | L237 C239 K274 T275 I277 | L237-C267 HydrophobicContact CB-CB 4.33Å; L237-C267 CarbonylContact O-C 3.2Å; L237-C267 VanDerWaalsContact O-CA 3.26Å; L237-C267 WeakPolarHBondContact O-CA 3.42Å; L237-C267 WeakPolarHBondContact O-CB 3.41Å; C239-C267 WeakPolarHBondContact CA-SG 3.23Å; C239-C267 HydrophobicContact CB-CB 3.98Å; C239-C267 WeakPolarHBondContact CB-SG 3.2Å; C239-C267 WeakPolarHBondContact SG-CB 3.49Å; C239-C267 CovalentContact SG-SG 2.04Å; C239-C267 PolarHBondContact SG-SG 2.95Å; C267-K274 WeakPolarHBondContact O-CA 3.48Å; C267-T275 PolarHBondContact N-O 2.9Å; C267-T275 PolarHBondContact O-N 3.2Å; C267-I277 HydrophobicContact CB-CD1 4.06Å; C267-I277 HydrophobicContact CB-CG1 3.64Å |
| 268 | V | 94.8 | Very high | 91.9 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.7 | 179.1 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | P236 L237 C239 Q273 K274 | P236-V268 HydrophobicContact CB-CG2 4.37Å; L237-V268 PolarHBondContact O-N 3.49Å; C239-V268 PolarHBondContact N-O 2.9Å; C239-V268 PolarHBondContact SG-N 3.09Å; V268-Q273 WeakPolarHBondContact CA-O 3.37Å; V268-K274 HydrophobicContact CG2-CG 4.35Å |
| 269 | L | 91.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 12% | 0.12 | 35% | 0.35 | C | S | . | . | trans | -73.6 | 163.2 | 173.1 | -77.8 | 112.1 | 0 | 0 | 0 | 111.3 | C239 N271 S272 Q273 T275 M285 | C239-L269 HydrophobicContact CB-CG 4.39Å; L269-N271 WeakPolarHBondContact CB-OD1 3.44Å; L269-N271 PolarHBondContact O-N 2.93Å; L269-N271 VanDerWaalsContact O-N 3.1Å; L269-S272 WeakPolarHBondContact O-CA 3.35Å; L269-S272 PolarHBondContact O-N 3.21Å; L269-Q273 HydrophobicContact CD1-CB 4.38Å; L269-Q273 PolarHBondContact N-O 2.9Å; L269-T275 HydrophobicContact CD1-CG2 3.47Å; L269-T275 VanDerWaalsContact CD1-CG2 3.47Å; L269-T275 HydrophobicContact CG-CG2 4.41Å; L269-M285 HydrophobicContact CD2-CG 4.38Å | ||
| 270 | P | 86.5 | Confident | 90.7 | Very high | 127 Ų | 127 | 63.8 Ų | 63.8 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.2 | 175.8 | -27.1 | 36.1 | 0 | 0 | 0 | 115 | S272 | P270-S272 PolarHBondContact O-N 3.38Š|
| 271 | N | 85.8 | Confident | 89.7 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 8.2 | 173.9 | 71.4 | -11.8 | 0 | 0 | 0 | 113.9 | L269 Q273 | L269-N271 WeakPolarHBondContact CB-OD1 3.44Å; L269-N271 PolarHBondContact O-N 2.93Å; L269-N271 VanDerWaalsContact O-N 3.1Å; N271-Q273 PolarHBondContact ND2-OE1 3.3Å; N271-Q273 VanDerWaalsContact ND2-OE1 3.08Å; N271-Q273 PolarHBondContact O-N 3.06Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.15Å; N271-Q273 PolarHBondContact OD1-N 2.9Å |
| 272 | S | 85.6 | Confident | 88.5 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 64.2 | 9.3 | -173.5 | -55.8 | 0 | 0 | 0 | 0 | 116.3 | L269 P270 | L269-S272 WeakPolarHBondContact O-CA 3.35Å; L269-S272 PolarHBondContact O-N 3.21Å; P270-S272 PolarHBondContact O-N 3.38Å |
| 273 | Q | 88.4 | Confident | 87.1 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | trans | -73.4 | 140.9 | 170.7 | -172.6 | 176.2 | -10.2 | 0 | 0 | 110.4 | V268 L269 N271 | V268-Q273 WeakPolarHBondContact CA-O 3.37Å; L269-Q273 HydrophobicContact CD1-CB 4.38Å; L269-Q273 PolarHBondContact N-O 2.9Å; N271-Q273 PolarHBondContact ND2-OE1 3.3Å; N271-Q273 VanDerWaalsContact ND2-OE1 3.08Å; N271-Q273 PolarHBondContact O-N 3.06Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.15Å; N271-Q273 PolarHBondContact OD1-N 2.9Å | ||
| 274 | K | 90.1 | Very high | 85.9 | Confident | 136 Ų | 136 | 60.1 Ų | 60.1 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 139.3 | 167.7 | -71.3 | -169 | 173.6 | -164.2 | 0 | 110.5 | C267 V268 | C267-K274 WeakPolarHBondContact O-CA 3.48Å; V268-K274 HydrophobicContact CG2-CG 4.35Å |
| 275 | T | 91.4 | Very high | 85 | Confident | 25 Ų | 25 | 60 Ų | 60 | 15% | 0.153 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 163.8 | 170.5 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | T266 C267 L269 L280 | T266-T275 CarbonylContact C-O 3.58Å; T266-T275 WeakPolarHBondContact CA-O 3.28Å; T266-T275 WeakPolarHBondContact CB-O 3.15Å; C267-T275 PolarHBondContact N-O 2.9Å; C267-T275 PolarHBondContact O-N 3.2Å; L269-T275 HydrophobicContact CD1-CG2 3.47Å; L269-T275 VanDerWaalsContact CD1-CG2 3.47Å; L269-T275 HydrophobicContact CG-CG2 4.41Å; T275-L280 HydrophobicContact CG2-CD2 3.86Å |
| 276 | Q | 91.3 | Very high | 84.3 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 143.1 | 162.9 | -61.3 | -66.6 | 6 | 0 | 0 | 110 | D263 F265 T266 F278 D279 | D263-Q276 PolarHBondContact O-NE2 3.29Å; D263-Q276 PolarHBondContact O-OE1 3.05Å; F265-Q276 PolarHBondContact O-OE1 3.06Å; T266-Q276 VanDerWaalsContact CG2-OE1 3.24Å; Q276-F278 VanDerWaalsContact C-N 3.28Å; Q276-F278 PolarHBondContact O-N 3.31Å; Q276-D279 WeakPolarHBondContact CB-OD2 3.36Å; Q276-D279 PolarHBondContact O-N 2.93Å |
| 277 | I | 91.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -64.6 | -35.5 | 179.3 | -72.7 | 166.3 | 0 | 0 | 0 | 110.8 | L237 L243 Y244 L247 F265 C267 D279 L280 | L237-I277 HydrophobicContact CD1-CD1 4.07Å; L243-I277 HydrophobicContact CD2-CD1 3.75Å; L243-I277 HydrophobicContact CD2-CG1 4.43Å; L243-I277 HydrophobicContact CG-CD1 4.05Å; Y244-I277 WeakPolarHBondContact CD2-O 3.2Å; L247-I277 HydrophobicContact CD1-CD1 3.73Å; L247-I277 HydrophobicContact CD1-CG2 3.98Å; F265-I277 HydrophobicContact CB-CD1 4.19Å; F265-I277 HydrophobicContact CD1-CD1 4.45Å; F265-I277 VanDerWaalsContact O-CB 3.29Å; F265-I277 WeakPolarHBondContact O-CB 3.27Å; F265-I277 WeakPolarHBondContact O-CD1 3.03Å; F265-I277 VanDerWaalsContact O-CG1 3.23Å; F265-I277 WeakPolarHBondContact O-CG1 3.07Å; F265-I277 PolarHBondContact O-N 3.45Å; C267-I277 HydrophobicContact CB-CD1 4.06Å; C267-I277 HydrophobicContact CB-CG1 3.64Å; I277-D279 PolarHBondContact O-N 2.92Å; I277-L280 HydrophobicContact CB-CD1 4.41Å; I277-L280 HydrophobicContact CG2-CD1 4.15Å; I277-L280 VanDerWaalsContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CD1 3.34Å; I277-L280 WeakPolarHBondContact O-CG 3.42Å; I277-L280 PolarHBondContact O-N 3.07Å |
| 278 | F | 87.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 70 Ų | 70 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -68.6 | -17.3 | -178.7 | -64.2 | -71.7 | 0 | 0 | 0 | 114.3 | L247 F251 V258 R262 F265 Q276 L280 | L247-F278 HydrophobicContact CB-CE1 4.37Å; L247-F278 HydrophobicContact CB-CZ 4.21Å; F251-F278 HydrophobicContact CB-CE1 4.14Å; F251-F278 HydrophobicContact CB-CZ 4.45Å; F251-F278 HydrophobicContact CG-CE1 4.46Å; V258-F278 HydrophobicContact CG1-CE2 4.41Å; V258-F278 HydrophobicContact CG1-CZ 3.61Å; R262-F278 HydrophobicContact CG-CD2 3.87Å; R262-F278 HydrophobicContact CG-CE2 3.66Å; R262-F278 HydrophobicContact CG-CZ 4.39Å; F265-F278 HydrophobicContact CB-CE2 4.09Å; Q276-F278 VanDerWaalsContact C-N 3.28Å; Q276-F278 PolarHBondContact O-N 3.31Å; F278-L280 VanDerWaalsContact C-N 3.33Å |
| 279 | D | 84.8 | Confident | 82.6 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -86 | -4.5 | 178.2 | -57.4 | -21.6 | 0 | 0 | 0 | 112.7 | Q276 I277 S281 G282 S284 | Q276-D279 WeakPolarHBondContact CB-OD2 3.36Å; Q276-D279 PolarHBondContact O-N 2.93Å; I277-D279 PolarHBondContact O-N 2.92Å; D279-S281 VanDerWaalsContact C-N 3.29Å; D279-S281 PolarHBondContact O-N 2.75Å; D279-G282 PolarHBondContact O-N 2.03Å; D279-G282 VanDerWaalsContact O-N 3.12Å; D279-S284 PolarHBondContact O-OG 2.81Å |
| 280 | L | 80.8 | Confident | 82 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -67.1 | -23.1 | -176.3 | -67.9 | 174.2 | 0 | 0 | 0 | 114.3 | C239 Y244 T275 I277 F278 G282 S284 M285 N286 C287 | C239-L280 HydrophobicContact CB-CD1 4.28Å; C239-L280 HydrophobicContact CB-CD2 4.05Å; Y244-L280 HydrophobicContact CD2-CB 4.24Å; Y244-L280 HydrophobicContact CG-CB 4.47Å; T275-L280 HydrophobicContact CG2-CD2 3.86Å; I277-L280 HydrophobicContact CB-CD1 4.41Å; I277-L280 HydrophobicContact CG2-CD1 4.15Å; I277-L280 VanDerWaalsContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CD1 3.34Å; I277-L280 WeakPolarHBondContact O-CG 3.42Å; I277-L280 PolarHBondContact O-N 3.07Å; F278-L280 VanDerWaalsContact C-N 3.33Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-S284 WeakPolarHBondContact CA-OG 3.42Å; L280-M285 HydrophobicContact CB-CB 4.48Å; L280-M285 HydrophobicContact CD2-CB 4.16Å; L280-M285 HydrophobicContact CD2-CG 3.8Å; L280-M285 HydrophobicContact CD2-SD 3.88Å; L280-M285 CarbonylContact O-C 3.27Å; L280-M285 PolarHBondContact O-N 2.89Å; L280-N286 PolarHBondContact O-N 2.85Å; L280-C287 PolarHBondContact O-N 3.25Å; L280-C287 VanDerWaalsContact O-N 3.07Å |
| 281 | S | 74.3 | Confident | 81.5 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -78.2 | -12.9 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | Y244 D279 C287 | Y244-S281 VanDerWaalsContact OH-CB 3.3Å; Y244-S281 WeakPolarHBondContact OH-CB 3.36Å; Y244-S281 PolarHBondContact OH-OG 3.34Å; Y244-S281 VanDerWaalsContact OH-OG 3.12Å; D279-S281 VanDerWaalsContact C-N 3.29Å; D279-S281 PolarHBondContact O-N 2.75Å; S281-C287 VanDerWaalsContact CA-O 3.23Å; S281-C287 WeakPolarHBondContact CA-O 3.47Å; S281-C287 WeakPolarHBondContact CB-O 3.46Å |
| 282 | G | 71.6 | Confident | 81.1 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -119.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | D279 L280 S284 N286 | D279-G282 PolarHBondContact O-N 2.03Å; D279-G282 VanDerWaalsContact O-N 3.12Å; L280-G282 VanDerWaalsContact C-N 3.29Å; G282-S284 VanDerWaalsContact C-N 3.27Å; G282-S284 PolarHBondContact O-N 2.87Å; G282-S284 VanDerWaalsContact O-N 3.09Å; G282-N286 PolarHBondContact O-N 2.75Å; G282-N286 PolarHBondContact O-OD1 2.81Å |
| 283 | E | 62.1 | Low | 80.7 | Confident | 205 Ų | 205 | 79.8 Ų | 79.8 | 96% | 0.958 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.2 | -159.8 | -53.9 | -173.3 | 156.2 | 0 | 0 | 116 | ||
| 284 | S | 67.8 | Low | 80.4 | Confident | 40 Ų | 40 | 76 Ų | 76 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -27.1 | -161.9 | 53.3 | 0 | 0 | 0 | 0 | 116.1 | D279 L280 G282 | D279-S284 PolarHBondContact O-OG 2.81Å; L280-S284 WeakPolarHBondContact CA-OG 3.42Å; G282-S284 VanDerWaalsContact C-N 3.27Å; G282-S284 PolarHBondContact O-N 2.87Å; G282-S284 VanDerWaalsContact O-N 3.09Å |
| 285 | M | 74.7 | Confident | 80.4 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 37% | 0.365 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | -2.6 | 175.2 | -74.1 | -165.7 | 72.3 | 0 | 0 | 115.6 | C239 L269 L280 C287 | C239-M285 HydrophobicContact CB-SD 3.85Å; L269-M285 HydrophobicContact CD2-CG 4.38Å; L280-M285 HydrophobicContact CB-CB 4.48Å; L280-M285 HydrophobicContact CD2-CB 4.16Å; L280-M285 HydrophobicContact CD2-CG 3.8Å; L280-M285 HydrophobicContact CD2-SD 3.88Å; L280-M285 CarbonylContact O-C 3.27Å; L280-M285 PolarHBondContact O-N 2.89Å; M285-C287 PolarHBondContact O-N 3.19Å |
| 286 | N | 81.5 | Confident | 80.4 | Confident | 138 Ų | 138 | 78 Ų | 78 | 74% | 0.738 | 42% | 0.415 | S | S | * | . | trans | 50.3 | 35.4 | -174.3 | -66.9 | -35.2 | 0 | 0 | 0 | 113.7 | L280 G282 S288 | L280-N286 PolarHBondContact O-N 2.85Å; G282-N286 PolarHBondContact O-N 2.75Å; G282-N286 PolarHBondContact O-OD1 2.81Å; N286-S288 PolarHBondContact O-N 2.97Å | ||
| 287 | C | 85.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 133 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | C241 Y244 L280 S281 M285 T289 | C241-C287 WeakPolarHBondContact CA-SG 3.49Å; C241-C287 HydrophobicContact CB-CB 3.72Å; C241-C287 WeakPolarHBondContact CB-SG 3Å; C241-C287 VanDerWaalsContact SG-CA 3.51Å; C241-C287 WeakPolarHBondContact SG-CB 3.35Å; C241-C287 CovalentContact SG-SG 2.04Å; C241-C287 PolarHBondContact SG-SG 2.98Å; Y244-C287 HydrophobicContact CD1-CB 3.91Å; Y244-C287 HydrophobicContact CE1-CB 4.36Å; Y244-C287 HydrophobicContact CG-CB 4.33Å; L280-C287 PolarHBondContact O-N 3.25Å; L280-C287 VanDerWaalsContact O-N 3.07Å; S281-C287 VanDerWaalsContact CA-O 3.23Å; S281-C287 WeakPolarHBondContact CA-O 3.47Å; S281-C287 WeakPolarHBondContact CB-O 3.46Å; M285-C287 PolarHBondContact O-N 3.19Å; C287-T289 PolarHBondContact O-N 3.3Å |
| 288 | S | 83 | Confident | 80.5 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 66% | 0.657 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 128.4 | 175.3 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | Y244 N286 F290 | Y244-S288 WeakPolarHBondContact CE1-O 3Å; N286-S288 PolarHBondContact O-N 2.97Å; S288-F290 PolarHBondContact O-N 2.03Å |
| 289 | T | 78.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 129.8 | 174.4 | 51 | 0 | 0 | 0 | 0 | 110.3 | C287 K291 | C287-T289 PolarHBondContact O-N 3.3Å; T289-K291 PolarHBondContact O-N 3.1Å |
| 290 | F | 79.6 | Confident | 80.9 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 22% | 0.219 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.5 | 177.4 | -179.7 | -102 | 0 | 0 | 0 | 110.9 | T245 A248 H249 I252 S288 E292 | T245-F290 HydrophobicContact CG2-CD2 3.85Å; T245-F290 HydrophobicContact CG2-CE2 4.23Å; A248-F290 HydrophobicContact CB-CB 3.84Å; A248-F290 HydrophobicContact CB-CG 4.5Å; H249-F290 HydrophobicContact CB-CD1 4.24Å; H249-F290 HydrophobicContact CB-CD2 4.41Å; H249-F290 HydrophobicContact CB-CE1 3.78Å; H249-F290 HydrophobicContact CB-CE2 3.96Å; H249-F290 HydrophobicContact CB-CZ 3.61Å; H249-F290 AromaticContact CG-CZ 3.73Å; I252-F290 HydrophobicContact CD1-CD1 3.69Å; I252-F290 HydrophobicContact CD1-CE1 4.4Å; S288-F290 PolarHBondContact O-N 2.03Å; F290-E292 HydrophobicContact CE1-CB 4.14Å |
| 291 | K | 76.7 | Confident | 81.4 | Confident | 160 Ų | 160 | 83.9 Ų | 83.9 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | trans | -121.5 | 134.1 | 168.7 | -65 | -178 | -178.9 | 179.9 | 0 | 107.1 | T289 E293 | T289-K291 PolarHBondContact O-N 3.1Å; K291-E293 PolarHBondContact O-N 2.68Å | ||
| 292 | E | 76.5 | Confident | 82.2 | Confident | 116 Ų | 116 | 85.7 Ų | 85.7 | 54% | 0.542 | 45% | 0.449 | S | S | . | . | trans | -75 | 106.7 | 169.9 | -163.7 | 158.7 | -140.6 | 0 | 0 | 106.8 | F290 | F290-E292 HydrophobicContact CE1-CB 4.14Š| ||
| 293 | E | 77.9 | Confident | 83.3 | Confident | 179 Ų | 179 | 84.9 Ų | 84.9 | 84% | 0.836 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 139 | 178.3 | -65.7 | -175.7 | 154.7 | 0 | 0 | 109.4 | K291 | K291-E293 PolarHBondContact O-N 2.68Š|
| 294 | G | 82.4 | Confident | 84.8 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 38% | 0.381 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 155 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E296 V371 | G294-E296 PolarHBondContact O-N 3.11Å; G294-V371 CarbonylContact C-O 3.6Å; G294-V371 VanDerWaalsContact CA-O 3.26Å; G294-V371 WeakPolarHBondContact CA-O 3.21Å |
| 295 | E | 89 | Confident | 86 | Confident | 99 Ų | 99 | 77.6 Ų | 77.6 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130.9 | 171.8 | -65.9 | -72.5 | 176.8 | 0 | 0 | 109.2 | L305 I370 V371 L372 K373 | E295-L305 HydrophobicContact CB-CD2 4.32Å; E295-L305 HydrophobicContact CG-CD2 4.09Å; E295-I370 HydrophobicContact CG-CG2 3.84Å; E295-V371 PolarHBondContact N-O 3.21Å; E295-L372 HydrophobicContact CB-CD1 4.06Å; E295-L372 WeakPolarHBondContact O-CA 3.49Å; E295-L372 WeakPolarHBondContact O-CD1 3.47Å; E295-K373 PolarHBondContact O-N 3.13Å |
| 296 | E | 92.2 | Very high | 86.9 | Confident | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.7 | 175.7 | -62.4 | -160.5 | 144 | 0 | 0 | 111 | G294 K373 H375 | G294-E296 PolarHBondContact O-N 3.11Å; E296-K373 WeakPolarHBondContact CA-O 3.03Å; E296-K373 HydrophobicContact CG-CB 4.46Å; E296-K373 HydrophobicContact CG-CD 4.37Å; E296-K373 WeakPolarHBondContact OE1-CD 3.27Å; E296-K373 WeakPolarHBondContact OE1-CE 3.36Å; E296-K373 IonicContact OE1-NZ 2.77Å; E296-K373 PolarHBondContact OE1-NZ 2.88Å; E296-H375 IonicContact OE1-NE2 3.69Å; E296-H375 IonicContact OE2-NE2 3.62Å |
| 297 | A | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 154.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q301 L303 V347 L372 K373 V374 H375 | A297-Q301 VanDerWaalsContact CB-NE2 3.29Å; A297-L303 HydrophobicContact CB-CD2 4.09Å; A297-V347 HydrophobicContact CB-CG1 4.22Å; A297-L372 HydrophobicContact CB-CD1 3.79Å; A297-K373 PolarHBondContact N-O 2.76Å; A297-V374 HydrophobicContact CB-CG2 4.41Å; A297-V374 CarbonylContact O-C 3.35Å; A297-V374 WeakPolarHBondContact O-CA 3.47Å; A297-H375 WeakPolarHBondContact O-CB 3.23Å; A297-H375 PolarHBondContact O-CD2 3.43Å; A297-H375 PolarHBondContact O-N 2.95Å |
| 298 | F | 93.1 | Very high | 87.7 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 159 | 177.3 | -55.7 | -71.2 | 0 | 0 | 0 | 111 | Q301 H375 F377 M379 | F298-Q301 WeakPolarHBondContact O-CG 3.33Å; F298-H375 HydrophobicContact CD1-CB 3.82Å; F298-H375 HydrophobicContact CE1-CB 4.07Å; F298-H375 AromaticContact CE1-CG 3.98Å; F298-F377 WeakPolarHBondContact CB-O 3.28Å; F298-F377 AromaticContact CD1-CD2 3.89Å; F298-F377 HydrophobicContact CD1-CD2 3.89Å; F298-F377 AromaticContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CE2 3.47Å; F298-F377 VanDerWaalsContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CZ 4.05Å; F298-F377 HydrophobicContact CE1-CD2 4.3Å; F298-F377 AromaticContact CE1-CE2 3.42Å; F298-F377 HydrophobicContact CE1-CE2 3.42Å; F298-F377 VanDerWaalsContact CE1-CE2 3.42Å; F298-F377 AromaticContact CE1-CZ 3.7Å; F298-F377 HydrophobicContact CE1-CZ 3.7Å; F298-M379 HydrophobicContact CB-CB 4.24Å; F298-M379 HydrophobicContact CD2-CB 4.08Å; F298-M379 HydrophobicContact CD2-CG 4.09Å; F298-M379 HydrophobicContact CE2-CG 4.46Å; F298-M379 HydrophobicContact CG-CB 4.19Å |
| 299 | L | 91.8 | Very high | 88.2 | Confident | 47 Ų | 47 | 68 Ų | 68 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 150.4 | 176.5 | -64.5 | -178.4 | 0 | 0 | 0 | 111.6 | Q301 V374 H375 F377 T378 | L299-Q301 PolarHBondContact O-N 3.03Å; L299-V374 HydrophobicContact CD2-CG1 4.03Å; L299-H375 WeakPolarHBondContact CG-O 3.35Å; L299-F377 PolarHBondContact N-O 2.91Å; L299-T378 HydrophobicContact CB-CG2 3.95Å |
| 300 | E | 88.3 | Confident | 88.9 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | -7.1 | 174.4 | -53.9 | -174.9 | 151.7 | 0 | 0 | 116 | V347 T378 | E300-V347 PolarHBondContact N-O 3.25Å; E300-T378 HydrophobicContact CB-CG2 4.33Å; E300-T378 HydrophobicContact CG-CG2 4.12Å |
| 301 | Q | 90.7 | Very high | 89.4 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | trans | -69.7 | 165.1 | 175.6 | 87.2 | -175.9 | 19.2 | 0 | 0 | 112.2 | A297 F298 L299 V347 | A297-Q301 VanDerWaalsContact CB-NE2 3.29Å; F298-Q301 WeakPolarHBondContact O-CG 3.33Å; L299-Q301 PolarHBondContact O-N 3.03Å; Q301-V347 HydrophobicContact CG-CB 4.29Å; Q301-V347 HydrophobicContact CG-CG2 4.07Å; Q301-V347 WeakPolarHBondContact O-CG2 3.35Å; Q301-V347 PolarHBondContact O-N 3.08Å | ||
| 302 | T | 92.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | trans | -101 | 122.3 | 164.8 | -66.3 | 0 | 0 | 0 | 0 | 109 | Q343 I344 S345 | T302-Q343 HydrophobicContact CG2-CG 3.97Å; T302-I344 WeakPolarHBondContact CA-O 3.43Å; T302-S345 PolarHBondContact OG1-OG 3.04Å | ||
| 303 | L | 93.6 | Very high | 90.4 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 150.5 | 178.4 | -176.4 | 64.5 | 0 | 0 | 0 | 110.4 | A297 L305 Q343 I344 V347 L372 | A297-L303 HydrophobicContact CB-CD2 4.09Å; L303-L305 HydrophobicContact CD2-CD2 3.69Å; L303-L305 HydrophobicContact CD2-CG 4.29Å; L303-L305 HydrophobicContact CG-CD2 4.02Å; L303-L305 HydrophobicContact CG-CG 4.5Å; L303-Q343 CarbonylContact O-C 3.56Å; L303-Q343 WeakPolarHBondContact O-CA 3.38Å; L303-I344 HydrophobicContact CB-CB 4.47Å; L303-I344 HydrophobicContact CD2-CD1 4.49Å; L303-I344 PolarHBondContact N-O 3.22Å; L303-I344 PolarHBondContact O-N 3.23Å; L303-V347 HydrophobicContact CB-CG2 3.74Å; L303-L372 HydrophobicContact CD2-CD1 3.46Å; L303-L372 VanDerWaalsContact CD2-CD1 3.46Å; L303-L372 HydrophobicContact CD2-CD2 3.65Å; L303-L372 HydrophobicContact CD2-CG 4.23Å |
| 304 | I | 94.1 | Very high | 91 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 105.9 | 171.9 | -57.9 | 177 | 0 | 0 | 0 | 108.4 | L337 N341 L342 Q343 | I304-L337 HydrophobicContact CD1-CD1 4.31Å; I304-L337 HydrophobicContact CG2-CD1 4.12Å; I304-N341 HydrophobicContact CG2-CB 3.95Å; I304-L342 CarbonylContact C-O 3.58Å; I304-L342 WeakPolarHBondContact CA-O 3.35Å; I304-Q343 HydrophobicContact CG1-CG 4.36Å |
| 305 | L | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.5 | 174 | -58.6 | -176.8 | 0 | 0 | 0 | 109.6 | E295 L303 W318 N341 L342 I344 Y355 I370 | E295-L305 HydrophobicContact CB-CD2 4.32Å; E295-L305 HydrophobicContact CG-CD2 4.09Å; L303-L305 HydrophobicContact CD2-CD2 3.69Å; L303-L305 HydrophobicContact CD2-CG 4.29Å; L303-L305 HydrophobicContact CG-CD2 4.02Å; L303-L305 HydrophobicContact CG-CG 4.5Å; L305-W318 HydrophobicContact CB-CH2 3.67Å; L305-W318 HydrophobicContact CB-CZ2 4.47Å; L305-W318 HydrophobicContact CB-CZ3 4.09Å; L305-W318 HydrophobicContact CD1-CZ3 4.37Å; L305-W318 WeakPolarHBondContact O-CZ2 3.38Å; L305-N341 WeakPolarHBondContact O-CB 3.34Å; L305-L342 HydrophobicContact CB-CB 4.42Å; L305-L342 PolarHBondContact N-O 3.27Å; L305-L342 PolarHBondContact O-N 3.18Å; L305-I344 HydrophobicContact CD1-CD1 4.04Å; L305-I344 HydrophobicContact CG-CD1 4.35Å; L305-Y355 HydrophobicContact CD1-CD1 3.88Å; L305-Y355 HydrophobicContact CD1-CD2 3.83Å; L305-Y355 HydrophobicContact CD1-CE1 4.33Å; L305-Y355 HydrophobicContact CD1-CE2 4.33Å; L305-Y355 HydrophobicContact CD1-CG 3.62Å; L305-I370 HydrophobicContact CB-CD1 4.34Å; L305-I370 HydrophobicContact CD1-CG2 4.46Å; L305-I370 HydrophobicContact CD2-CG2 4.21Å |
| 306 | S | 92.2 | Very high | 91.7 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 43% | 0.427 | 28% | 0.282 | S | S | . | . | trans | -92.2 | 127.7 | -178.4 | -167 | 0 | 0 | 0 | 0 | 111.6 | D308 N341 I370 | S306-D308 PolarHBondContact O-N 2.89Å; S306-N341 PolarHBondContact OG-ND2 3.39Å; S306-I370 WeakPolarHBondContact O-CD1 3.4Å | ||
| 307 | C | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | trans | -95.8 | 86.8 | 170.3 | -179 | 0 | 0 | 0 | 0 | 109 | T309 K316 W318 N341 C357 | C307-T309 PolarHBondContact O-N 3.04Å; C307-K316 HydrophobicContact CB-CD 4.02Å; C307-K316 WeakPolarHBondContact O-CE 3.33Å; C307-K316 PolarHBondContact O-NZ 3.5Å; C307-W318 HydrophobicContact CB-CH2 4.14Å; C307-W318 HydrophobicContact CB-CZ2 3.52Å; C307-N341 PolarHBondContact N-OD1 3.19Å; C307-C357 HydrophobicContact CB-CB 3.67Å; C307-C357 WeakPolarHBondContact CB-SG 3.15Å; C307-C357 WeakPolarHBondContact SG-CB 3.2Å; C307-C357 CovalentContact SG-SG 2.03Å; C307-C357 PolarHBondContact SG-SG 3.07Å | ||
| 308 | D | 92.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | trans | -87 | 93.3 | -174.7 | -176 | 36.3 | 0 | 0 | 0 | 111.7 | P223 A224 R253 S306 I368 | P223-D308 WeakPolarHBondContact CA-OD1 3.35Å; P223-D308 VanDerWaalsContact CB-OD1 3.26Å; P223-D308 WeakPolarHBondContact CB-OD1 3.3Å; A224-D308 WeakPolarHBondContact CB-O 3.4Å; A224-D308 WeakPolarHBondContact CB-OD2 3.5Å; A224-D308 PolarHBondContact N-OD1 3.1Å; A224-D308 PolarHBondContact N-OD2 2.91Å; R253-D308 PolarHBondContact NH1-O 3.4Å; R253-D308 PolarHBondContact NH2-O 3.26Å; S306-D308 PolarHBondContact O-N 2.89Å; D308-I368 WeakPolarHBondContact O-CD1 3.39Å | ||
| 309 | T | 93.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | trans | -90.3 | 151.5 | -170.3 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | W225 C307 H311 M314 A359 E366 I368 | W225-T309 WeakPolarHBondContact CB-O 3.4Å; W225-T309 PolarHBondContact N-O 3.07Å; C307-T309 PolarHBondContact O-N 3.04Å; T309-H311 VanDerWaalsContact C-N 3.26Å; T309-H311 PolarHBondContact O-N 2.89Å; T309-H311 PolarHBondContact OG1-O 2.67Å; T309-M314 HydrophobicContact CG2-SD 4.02Å; T309-A359 HydrophobicContact CG2-CB 3.43Å; T309-A359 VanDerWaalsContact CG2-CB 3.43Å; T309-E366 VanDerWaalsContact CA-OE2 3.32Å; T309-E366 WeakPolarHBondContact CA-OE2 3.32Å; T309-I368 HydrophobicContact CG2-CD1 4.19Å | ||
| 310 | K | 92 | Very high | 91.9 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -69.4 | -19.3 | 177.4 | -63.2 | 177.9 | -158.5 | -175.7 | 0 | 115.1 | W225 N228 R253 K254 L255 E366 | W225-K310 VanDerWaalsContact CA-O 3.23Å; W225-K310 WeakPolarHBondContact CA-O 3.35Å; W225-K310 VanDerWaalsContact CB-O 3.28Å; W225-K310 WeakPolarHBondContact CB-O 3.17Å; N228-K310 HydrophobicContact CB-CB 4.44Å; N228-K310 PolarHBondContact ND2-O 2.82Å; R253-K310 WeakPolarHBondContact O-CE 3.27Å; R253-K310 PolarHBondContact O-NZ 3.36Å; K254-K310 WeakPolarHBondContact O-CE 3.11Å; K254-K310 PolarHBondContact O-NZ 3.37Å; L255-K310 HydrophobicContact CD2-CD 4.11Å; L255-K310 HydrophobicContact CD2-CG 3.68Å; K310-E366 VanDerWaalsContact CE-OE1 3.24Å; K310-E366 WeakPolarHBondContact CE-OE1 3.33Å; K310-E366 WeakPolarHBondContact CG-OE2 3.4Å; K310-E366 PolarHBondContact N-OE2 3.32Å |
| 311 | H | 90.4 | Very high | 92 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -118.8 | 146.6 | 175.9 | -52.9 | -91.5 | 0 | 0 | 0 | 108.7 | T309 M314 F364 | T309-H311 VanDerWaalsContact C-N 3.26Å; T309-H311 PolarHBondContact O-N 2.89Å; T309-H311 PolarHBondContact OG1-O 2.67Å; H311-M314 HydrophobicContact CB-CG 3.93Å; H311-M314 HydrophobicContact CB-SD 3.8Å; H311-F364 AromaticContact CD2-CG 3.96Å; H311-F364 AromaticContact CE1-CD1 3.73Å; H311-F364 AromaticContact CE1-CD2 3.84Å; H311-F364 AromaticContact CE1-CE1 3.77Å; H311-F364 AromaticContact CE1-CE2 3.87Å; H311-F364 AromaticContact CE1-CG 3.77Å; H311-F364 AromaticContact CE1-CZ 3.84Å; H311-F364 AromaticContact ND1-CD2 3.79Å; H311-F364 AromaticContact ND1-CE2 3.88Å; H311-F364 AromaticContact NE2-CD1 3.68Å; H311-F364 AromaticContact NE2-CG 3.7Å |
| 312 | R | 87.3 | Confident | 91.7 | Very high | 101 Ų | 101 | 47.8 Ų | 47.8 | 38% | 0.381 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 155 | 175.2 | -155.7 | -175.8 | 134.3 | 163.6 | -5.7 | 109.4 | E199 N200 W225 M314 | E199-R312 PolarHBondContact O-NH1 2.9Å; E199-R312 VanDerWaalsContact O-NH1 3.1Å; N200-R312 PolarHBondContact OD1-NH1 3.26Å; W225-R312 HydrophobicContact CD2-CB 4.24Å; W225-R312 HydrophobicContact CD2-CG 4.26Å; W225-R312 HydrophobicContact CE3-CB 4.48Å; W225-R312 HydrophobicContact CG-CB 4.41Å; W225-R312 HydrophobicContact CZ2-CG 4.3Å; R312-M314 PolarHBondContact O-N 3.28Å |
| 313 | D | 87.1 | Confident | 91.4 | Very high | 134 Ų | 134 | 50 Ų | 50 | 72% | 0.717 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.4 | 167.2 | -51.2 | -36.2 | 0 | 0 | 0 | 116.3 | ||
| 314 | M | 90.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | trans | -69.9 | 141.8 | 171.5 | -59.7 | -176.5 | 82 | 0 | 0 | 111.7 | T309 H311 R312 A359 F364 E366 | T309-M314 HydrophobicContact CG2-SD 4.02Å; H311-M314 HydrophobicContact CB-CG 3.93Å; H311-M314 HydrophobicContact CB-SD 3.8Å; R312-M314 PolarHBondContact O-N 3.28Å; M314-A359 HydrophobicContact CB-CB 4.22Å; M314-A359 HydrophobicContact CE-CB 4Å; M314-A359 HydrophobicContact SD-CB 4.06Å; M314-F364 HydrophobicContact CE-CB 4.16Å; M314-F364 WeakPolarHBondContact CE-O 3.48Å; M314-E366 HydrophobicContact CE-CB 4.45Å | ||
| 315 | M | 91.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 54.1 Ų | 54.1 | 59% | 0.591 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 128 | 170 | -176.6 | 173.7 | 68 | 0 | 0 | 109.7 | A359 M360 | M315-A359 CarbonylContact O-C 3.55Å; M315-A359 WeakPolarHBondContact O-CA 3.48Å; M315-M360 HydrophobicContact CB-CG 4.26Å; M315-M360 HydrophobicContact CE-CG 3.69Å; M315-M360 HydrophobicContact CE-SD 3.48Å; M315-M360 WeakPolarHBondContact CE-SD 3.38Å; M315-M360 PolarHBondContact N-O 2.95Å; M315-M360 PolarHBondContact O-N 2.75Å |
| 316 | K | 93.2 | Very high | 90.6 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.3 | -173.6 | -65.4 | 166 | -176 | -174.9 | 0 | 111 | C307 A359 | C307-K316 HydrophobicContact CB-CD 4.02Å; C307-K316 WeakPolarHBondContact O-CE 3.33Å; C307-K316 PolarHBondContact O-NZ 3.5Å; K316-A359 HydrophobicContact CG-CB 4.31Å |
| 317 | T | 93.1 | Very high | 90 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.1 | 172.3 | 58.2 | 0 | 0 | 0 | 0 | 109.6 | C357 F358 | T317-C357 CarbonylContact O-C 3.47Å; T317-C357 WeakPolarHBondContact O-CA 3.35Å; T317-F358 PolarHBondContact N-O 2.97Å; T317-F358 PolarHBondContact O-N 2.94Å; T317-F358 PolarHBondContact OG1-O 3.32Å |
| 318 | W | 94.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.2 | -171.8 | -73.8 | 86.6 | 0 | 0 | 0 | 112.1 | L305 C307 V326 V336 G340 L342 T356 C357 I370 | L305-W318 HydrophobicContact CB-CH2 3.67Å; L305-W318 HydrophobicContact CB-CZ2 4.47Å; L305-W318 HydrophobicContact CB-CZ3 4.09Å; L305-W318 HydrophobicContact CD1-CZ3 4.37Å; L305-W318 WeakPolarHBondContact O-CZ2 3.38Å; C307-W318 HydrophobicContact CB-CH2 4.14Å; C307-W318 HydrophobicContact CB-CZ2 3.52Å; W318-V326 HydrophobicContact CB-CB 4.32Å; W318-V326 HydrophobicContact CB-CG2 3.95Å; W318-V326 PolarHBondContact O-N 3.31Å; W318-V336 HydrophobicContact CB-CG2 4.39Å; W318-V336 HydrophobicContact CG-CG2 4.41Å; W318-G340 PolarHBondContact NE1-O 3.14Å; W318-L342 HydrophobicContact CB-CD1 4.26Å; W318-L342 HydrophobicContact CB-CD2 4.43Å; W318-L342 HydrophobicContact CD2-CB 3.67Å; W318-L342 HydrophobicContact CD2-CD2 4.13Å; W318-L342 HydrophobicContact CD2-CG 4.37Å; W318-L342 HydrophobicContact CE3-CB 4.02Å; W318-L342 HydrophobicContact CE3-CD2 3.92Å; W318-L342 HydrophobicContact CG-CB 4.06Å; W318-L342 HydrophobicContact CG-CD1 4.24Å; W318-L342 HydrophobicContact CG-CD2 4.39Å; W318-L342 HydrophobicContact CG-CG 4.48Å; W318-L342 HydrophobicContact CH2-CB 4.17Å; W318-L342 HydrophobicContact CZ2-CB 3.83Å; W318-L342 HydrophobicContact CZ3-CB 4.26Å; W318-L342 HydrophobicContact CZ3-CD2 4.45Å; W318-T356 CarbonylContact C-O 3.35Å; W318-T356 WeakPolarHBondContact CA-O 3.31Å; W318-C357 HydrophobicContact CD2-CB 4.01Å; W318-C357 HydrophobicContact CE3-CB 4.01Å; W318-C357 HydrophobicContact CH2-CB 4.12Å; W318-C357 HydrophobicContact CZ2-CB 4.1Å; W318-C357 HydrophobicContact CZ3-CB 4.06Å; W318-I370 HydrophobicContact CH2-CD1 3.72Å; W318-I370 HydrophobicContact CZ3-CD1 4Å |
| 319 | A | 93.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V324 L325 T356 F358 | A319-V324 CarbonylContact C-O 3.47Å; A319-V324 WeakPolarHBondContact CA-O 3.49Å; A319-L325 HydrophobicContact CB-CD2 4.34Å; A319-T356 PolarHBondContact N-O 2.86Å; A319-T356 PolarHBondContact O-N 2.98Å; A319-F358 HydrophobicContact CB-CE2 3.98Å |
| 320 | L | 92.1 | Very high | 85.8 | Confident | 40 Ų | 40 | 68.3 Ų | 68.3 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 166.9 | 172.3 | -56.8 | 177.3 | 0 | 0 | 0 | 110.8 | G322 N323 V324 V326 A334 L342 Y355 | L320-G322 PolarHBondContact O-N 2.98Å; L320-N323 PolarHBondContact O-N 3.43Å; L320-V324 HydrophobicContact CB-CB 4.35Å; L320-V324 PolarHBondContact N-O 3.3Å; L320-V326 HydrophobicContact CD1-CG2 4.47Å; L320-V326 HydrophobicContact CD2-CG2 3.65Å; L320-V326 HydrophobicContact CG-CG2 3.77Å; L320-A334 HydrophobicContact CD2-CB 3.73Å; L320-L342 HydrophobicContact CD2-CD2 4.45Å; L320-Y355 HydrophobicContact CD2-CD1 4.15Å; L320-Y355 HydrophobicContact CD2-CE1 3.55Å |
| 321 | P | 90.5 | Very high | 84.3 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 132.7 | 165.5 | -29.1 | 36.5 | 0 | 0 | 0 | 111.7 | Y355 | P321-Y355 HydrophobicContact CG-CD2 4.13Å; P321-Y355 HydrophobicContact CG-CE2 3.73Å |
| 322 | G | 85.1 | Confident | 83.5 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 76% | 0.763 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 11.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L320 V324 | L320-G322 PolarHBondContact O-N 2.98Å; G322-V324 VanDerWaalsContact C-N 3.3Å; G322-V324 PolarHBondContact O-N 2.93Å |
| 323 | N | 85.4 | Confident | 83.3 | Confident | 124 Ų | 124 | 73.6 Ų | 73.6 | 66% | 0.663 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 24.5 | 177.5 | -62.2 | -25.2 | 0 | 0 | 0 | 115.3 | L320 L325 | L320-N323 PolarHBondContact O-N 3.43Å; N323-L325 PolarHBondContact O-N 3.35Å |
| 324 | V | 87.9 | Confident | 83.4 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116 | 175 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | A319 L320 G322 V326 | A319-V324 CarbonylContact C-O 3.47Å; A319-V324 WeakPolarHBondContact CA-O 3.49Å; L320-V324 HydrophobicContact CB-CB 4.35Å; L320-V324 PolarHBondContact N-O 3.3Å; G322-V324 VanDerWaalsContact C-N 3.3Å; G322-V324 PolarHBondContact O-N 2.93Å; V324-V326 PolarHBondContact O-N 2.91Å |
| 325 | L | 89.6 | Confident | 83.4 | Confident | 108 Ų | 108 | 71.7 Ų | 71.7 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129.9 | 178.5 | -73.1 | 167.5 | 0 | 0 | 0 | 111.7 | A319 N323 | A319-L325 HydrophobicContact CB-CD2 4.34Å; N323-L325 PolarHBondContact O-N 3.35Å |
| 326 | V | 86.9 | Confident | 83.3 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 13% | 0.127 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 130 | 174.1 | -177 | 0 | 0 | 0 | 0 | 109 | W318 L320 V324 V336 L342 | W318-V326 HydrophobicContact CB-CB 4.32Å; W318-V326 HydrophobicContact CB-CG2 3.95Å; W318-V326 PolarHBondContact O-N 3.31Å; L320-V326 HydrophobicContact CD1-CG2 4.47Å; L320-V326 HydrophobicContact CD2-CG2 3.65Å; L320-V326 HydrophobicContact CG-CG2 3.77Å; V324-V326 PolarHBondContact O-N 2.91Å; V326-V336 HydrophobicContact CB-CG2 4.27Å; V326-V336 HydrophobicContact CG1-CG2 3.91Å; V326-L342 HydrophobicContact CB-CD1 4.5Å; V326-L342 HydrophobicContact CG1-CD1 4.11Å; V326-L342 HydrophobicContact CG2-CD1 4Å |
| 327 | T | 80.5 | Confident | 83.2 | Confident | 83 Ų | 83 | 68 Ų | 68 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | trans | -119.2 | 148.7 | -177.5 | 41.3 | 0 | 0 | 0 | 0 | 110.6 | G329 Q332 | T327-G329 PolarHBondContact O-N 3.27Å; T327-Q332 PolarHBondContact O-OE1 3.48Å; T327-Q332 PolarHBondContact OG1-NE2 2.84Å | ||
| 328 | S | 68.4 | Low | 83 | Confident | 137 Ų | 137 | 72.3 Ų | 72.3 | 96% | 0.958 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -75.4 | 61.5 | -173.9 | -52.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 329 | G | 64.4 | Low | 82.6 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | trans | -118.2 | 137.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T327 N331 | T327-G329 PolarHBondContact O-N 3.27Å; G329-N331 PolarHBondContact O-N 2.93Å; G329-N331 VanDerWaalsContact O-N 3.14Å | ||
| 330 | D | 57.1 | Low | 82.4 | Confident | 132 Ų | 132 | 77.2 Ų | 77.2 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.5 | -170.1 | -67.9 | -59.1 | 0 | 0 | 0 | 115.9 | K335 | D330-K335 IonicContact OD1-NZ 2.65Å; D330-K335 PolarHBondContact OD1-NZ 3.4Å |
| 331 | N | 60.1 | Low | 82.4 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 91% | 0.914 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 22.2 | -178.4 | -67.7 | -14.1 | 0 | 0 | 0 | 113.8 | G329 | G329-N331 PolarHBondContact O-N 2.93Å; G329-N331 VanDerWaalsContact O-N 3.14Å |
| 332 | Q | 74.4 | Confident | 82.6 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | trans | -106.7 | 139.9 | 178.5 | -65.1 | -179.4 | 20.3 | 0 | 0 | 111 | T327 A334 | T327-Q332 PolarHBondContact O-OE1 3.48Å; T327-Q332 PolarHBondContact OG1-NE2 2.84Å; Q332-A334 WeakPolarHBondContact CB-O 3.32Å; Q332-A334 PolarHBondContact O-N 2.91Å | ||
| 333 | T | 83.4 | Confident | 83 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -65.6 | -24 | 174.8 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | I344 S345 | T333-I344 CarbonylContact O-C 3.54Å; T333-I344 WeakPolarHBondContact O-CA 3.22Å; T333-S345 PolarHBondContact O-N 3.31Å |
| 334 | A | 88.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | L320 Q332 L342 Q343 I344 | L320-A334 HydrophobicContact CD2-CB 3.73Å; Q332-A334 WeakPolarHBondContact CB-O 3.32Å; Q332-A334 PolarHBondContact O-N 2.91Å; A334-L342 HydrophobicContact CB-CD1 4.15Å; A334-L342 HydrophobicContact CB-CD2 4.46Å; A334-L342 HydrophobicContact CB-CG 4.46Å; A334-Q343 CarbonylContact C-O 3.42Å; A334-Q343 VanDerWaalsContact CA-O 3.29Å; A334-Q343 WeakPolarHBondContact CA-O 3.45Å; A334-I344 HydrophobicContact CB-CG1 4.39Å |
| 335 | K | 90.8 | Very high | 83.5 | Confident | 102 Ų | 102 | 66 Ų | 66 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.7 | -177 | -175.3 | 163.1 | -178.2 | 165.7 | 0 | 110.8 | D330 Q343 | D330-K335 IonicContact OD1-NZ 2.65Å; D330-K335 PolarHBondContact OD1-NZ 3.4Å; K335-Q343 PolarHBondContact N-O 2.89Å; K335-Q343 PolarHBondContact O-N 3.39Å |
| 336 | V | 90.9 | Very high | 83.6 | Confident | 49 Ų | 49 | 63.8 Ų | 63.8 | 30% | 0.297 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.8 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | W318 V326 L342 | W318-V336 HydrophobicContact CB-CG2 4.39Å; W318-V336 HydrophobicContact CG-CG2 4.41Å; V326-V336 HydrophobicContact CB-CG2 4.27Å; V326-V336 HydrophobicContact CG1-CG2 3.91Å; V336-L342 HydrophobicContact CG2-CD1 3.92Å |
| 337 | L | 91.1 | Very high | 83.9 | Confident | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -79.9 | 160.9 | 177.9 | -66.9 | 176 | 0 | 0 | 0 | 111.4 | I304 N339 G340 N341 Q343 | I304-L337 HydrophobicContact CD1-CD1 4.31Å; I304-L337 HydrophobicContact CG2-CD1 4.12Å; L337-N339 VanDerWaalsContact CB-OD1 3.24Å; L337-N339 WeakPolarHBondContact CB-OD1 3.31Å; L337-N339 PolarHBondContact O-N 2.71Å; L337-G340 WeakPolarHBondContact O-CA 3.39Å; L337-G340 PolarHBondContact O-N 3.11Å; L337-N341 WeakPolarHBondContact CB-O 3.46Å; L337-N341 PolarHBondContact N-O 2.93Å; L337-Q343 HydrophobicContact CD1-CB 4.18Å; L337-Q343 HydrophobicContact CD2-CB 4.16Å; L337-Q343 HydrophobicContact CG-CB 4.03Å | ||
| 338 | P | 88.1 | Confident | 84.4 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 92% | 0.922 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.1 | 179.2 | -26.2 | 35.9 | 0 | 0 | 0 | 115.7 | G340 | P338-G340 VanDerWaalsContact C-N 3.34Š|
| 339 | N | 86.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 65.9 Ų | 65.9 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.1 | 173 | 64.5 | 0.1 | 0 | 0 | 0 | 113.6 | L337 N341 | L337-N339 VanDerWaalsContact CB-OD1 3.24Å; L337-N339 WeakPolarHBondContact CB-OD1 3.31Å; L337-N339 PolarHBondContact O-N 2.71Å; N339-N341 VanDerWaalsContact C-N 3.34Å; N339-N341 PolarHBondContact O-N 3.05Å; N339-N341 WeakPolarHBondContact OD1-CB 3.45Å; N339-N341 PolarHBondContact OD1-N 2.83Å; N339-N341 VanDerWaalsContact OD1-N 3.11Å |
| 340 | G | 88.9 | Confident | 86.7 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 76.4 | 10.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | W318 L337 P338 | W318-G340 PolarHBondContact NE1-O 3.14Å; L337-G340 WeakPolarHBondContact O-CA 3.39Å; L337-G340 PolarHBondContact O-N 3.11Å; P338-G340 VanDerWaalsContact C-N 3.34Å |
| 341 | N | 92.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 155.5 | 169.2 | -73.3 | 1.6 | 0 | 0 | 0 | 110.9 | I304 L305 S306 C307 L337 N339 | I304-N341 HydrophobicContact CG2-CB 3.95Å; L305-N341 WeakPolarHBondContact O-CB 3.34Å; S306-N341 PolarHBondContact OG-ND2 3.39Å; C307-N341 PolarHBondContact N-OD1 3.19Å; L337-N341 WeakPolarHBondContact CB-O 3.46Å; L337-N341 PolarHBondContact N-O 2.93Å; N339-N341 VanDerWaalsContact C-N 3.34Å; N339-N341 PolarHBondContact O-N 3.05Å; N339-N341 WeakPolarHBondContact OD1-CB 3.45Å; N339-N341 PolarHBondContact OD1-N 2.83Å; N339-N341 VanDerWaalsContact OD1-N 3.11Å |
| 342 | L | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.1 | 179.5 | -172.6 | 70.3 | 0 | 0 | 0 | 110.5 | I304 L305 W318 L320 V326 A334 V336 I344 Y355 | I304-L342 CarbonylContact C-O 3.58Å; I304-L342 WeakPolarHBondContact CA-O 3.35Å; L305-L342 HydrophobicContact CB-CB 4.42Å; L305-L342 PolarHBondContact N-O 3.27Å; L305-L342 PolarHBondContact O-N 3.18Å; W318-L342 HydrophobicContact CB-CD1 4.26Å; W318-L342 HydrophobicContact CB-CD2 4.43Å; W318-L342 HydrophobicContact CD2-CB 3.67Å; W318-L342 HydrophobicContact CD2-CD2 4.13Å; W318-L342 HydrophobicContact CD2-CG 4.37Å; W318-L342 HydrophobicContact CE3-CB 4.02Å; W318-L342 HydrophobicContact CE3-CD2 3.92Å; W318-L342 HydrophobicContact CG-CB 4.06Å; W318-L342 HydrophobicContact CG-CD1 4.24Å; W318-L342 HydrophobicContact CG-CD2 4.39Å; W318-L342 HydrophobicContact CG-CG 4.48Å; W318-L342 HydrophobicContact CH2-CB 4.17Å; W318-L342 HydrophobicContact CZ2-CB 3.83Å; W318-L342 HydrophobicContact CZ3-CB 4.26Å; W318-L342 HydrophobicContact CZ3-CD2 4.45Å; L320-L342 HydrophobicContact CD2-CD2 4.45Å; V326-L342 HydrophobicContact CB-CD1 4.5Å; V326-L342 HydrophobicContact CG1-CD1 4.11Å; V326-L342 HydrophobicContact CG2-CD1 4Å; A334-L342 HydrophobicContact CB-CD1 4.15Å; A334-L342 HydrophobicContact CB-CD2 4.46Å; A334-L342 HydrophobicContact CB-CG 4.46Å; V336-L342 HydrophobicContact CG2-CD1 3.92Å; L342-I344 HydrophobicContact CD2-CD1 4.5Å; L342-I344 HydrophobicContact CD2-CG1 4.38Å; L342-I344 HydrophobicContact CG-CG1 4.39Å; L342-Y355 HydrophobicContact CD2-CD1 3.54Å; L342-Y355 HydrophobicContact CD2-CE1 3.73Å |
| 343 | Q | 93.8 | Very high | 90.7 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.5 | 168.6 | -174.2 | 177 | 23.9 | 0 | 0 | 109.6 | T302 L303 I304 A334 K335 L337 | T302-Q343 HydrophobicContact CG2-CG 3.97Å; L303-Q343 CarbonylContact O-C 3.56Å; L303-Q343 WeakPolarHBondContact O-CA 3.38Å; I304-Q343 HydrophobicContact CG1-CG 4.36Å; A334-Q343 CarbonylContact C-O 3.42Å; A334-Q343 VanDerWaalsContact CA-O 3.29Å; A334-Q343 WeakPolarHBondContact CA-O 3.45Å; K335-Q343 PolarHBondContact N-O 2.89Å; K335-Q343 PolarHBondContact O-N 3.39Å; L337-Q343 HydrophobicContact CD1-CB 4.18Å; L337-Q343 HydrophobicContact CD2-CB 4.16Å; L337-Q343 HydrophobicContact CG-CB 4.03Å |
| 344 | I | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.7 | 172.5 | -51.8 | 173.1 | 0 | 0 | 0 | 107.7 | T302 L303 L305 T333 A334 L342 V347 Y355 L372 | T302-I344 WeakPolarHBondContact CA-O 3.43Å; L303-I344 HydrophobicContact CB-CB 4.47Å; L303-I344 HydrophobicContact CD2-CD1 4.49Å; L303-I344 PolarHBondContact N-O 3.22Å; L303-I344 PolarHBondContact O-N 3.23Å; L305-I344 HydrophobicContact CD1-CD1 4.04Å; L305-I344 HydrophobicContact CG-CD1 4.35Å; T333-I344 CarbonylContact O-C 3.54Å; T333-I344 WeakPolarHBondContact O-CA 3.22Å; A334-I344 HydrophobicContact CB-CG1 4.39Å; L342-I344 HydrophobicContact CD2-CD1 4.5Å; L342-I344 HydrophobicContact CD2-CG1 4.38Å; L342-I344 HydrophobicContact CG-CG1 4.39Å; I344-V347 HydrophobicContact CB-CG2 4.17Å; I344-V347 HydrophobicContact CG2-CG2 3.92Å; I344-Y355 HydrophobicContact CD1-CE1 3.69Å; I344-Y355 HydrophobicContact CD1-CE2 4.36Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.32Å; I344-L372 HydrophobicContact CD1-CD2 3.93Å |
| 345 | S | 91.8 | Very high | 91.5 | Very high | 50 Ų | 50 | 58 Ų | 58 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -158.3 | 131.1 | -177.5 | -166.4 | 0 | 0 | 0 | 0 | 112.6 | T302 T333 | T302-S345 PolarHBondContact OG1-OG 3.04Å; T333-S345 PolarHBondContact O-N 3.31Å |
| 346 | P | 91.6 | Very high | 91.7 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -70.5 | 143.6 | -20.1 | 31.1 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 347 | V | 92.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | trans | -66.2 | 134.1 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A297 E300 Q301 L303 I344 V374 | A297-V347 HydrophobicContact CB-CG1 4.22Å; E300-V347 PolarHBondContact N-O 3.25Å; Q301-V347 HydrophobicContact CG-CB 4.29Å; Q301-V347 HydrophobicContact CG-CG2 4.07Å; Q301-V347 WeakPolarHBondContact O-CG2 3.35Å; Q301-V347 PolarHBondContact O-N 3.08Å; L303-V347 HydrophobicContact CB-CG2 3.74Å; I344-V347 HydrophobicContact CB-CG2 4.17Å; I344-V347 HydrophobicContact CG2-CG2 3.92Å; V347-V374 HydrophobicContact CG1-CB 4.46Å; V347-V374 HydrophobicContact CG1-CG1 3.74Å; V347-V374 HydrophobicContact CG1-CG2 3.81Å | ||
| 348 | R | 92 | Very high | 92.1 | Very high | 138 Ų | 138 | 52.4 Ų | 52.4 | 52% | 0.521 | 28% | 0.284 | S | S | . | . | trans | -119.1 | 160.7 | 179 | -59.2 | 178.7 | 178.5 | -175.8 | -0.8 | 111 | D350 D351 V374 | R348-D350 PolarHBondContact O-N 2.92Å; R348-D351 WeakPolarHBondContact CB-OD2 3.2Å; R348-D351 PolarHBondContact N-OD2 3.2Å; R348-D351 WeakPolarHBondContact O-CB 3.3Å; R348-D351 PolarHBondContact O-N 3.4Å; R348-D351 VanDerWaalsContact O-N 3.09Å; R348-V374 WeakPolarHBondContact O-CG1 3.41Å | ||
| 349 | Y | 89.9 | Confident | 92.4 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -56.6 | -39.7 | 175.5 | -177.1 | -105.8 | 0 | 0 | 0 | 112.7 | D351 S352 N376 | Y349-D351 PolarHBondContact O-N 3.06Å; Y349-S352 WeakPolarHBondContact O-CB 3.27Å; Y349-S352 PolarHBondContact O-N 2.89Å; Y349-S352 VanDerWaalsContact O-N 3.1Å; Y349-N376 HydrophobicContact CD2-CB 4.41Å |
| 350 | D | 89.6 | Confident | 92.7 | Very high | 135 Ų | 135 | 44.7 Ų | 44.7 | 72% | 0.722 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -70.1 | -11.1 | -179.6 | -47.4 | -48.2 | 0 | 0 | 0 | 113.8 | R348 S352 | R348-D350 PolarHBondContact O-N 2.92Å; D350-S352 PolarHBondContact O-N 3.18Å |
| 351 | D | 90.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -75.6 | -4.3 | 171 | -64.2 | -48.9 | 0 | 0 | 0 | 111.9 | R348 Y349 G353 Y355 V374 | R348-D351 WeakPolarHBondContact CB-OD2 3.2Å; R348-D351 PolarHBondContact N-OD2 3.2Å; R348-D351 WeakPolarHBondContact O-CB 3.3Å; R348-D351 PolarHBondContact O-N 3.4Å; R348-D351 VanDerWaalsContact O-N 3.09Å; Y349-D351 PolarHBondContact O-N 3.06Å; D351-G353 PolarHBondContact O-N 3.34Å; D351-Y355 WeakPolarHBondContact CB-OH 3.13Å; D351-Y355 VanDerWaalsContact O-CE2 3.28Å; D351-Y355 WeakPolarHBondContact O-CE2 3.2Å; D351-Y355 PolarHBondContact O-OH 2.93Å; D351-Y355 VanDerWaalsContact O-OH 3.05Å; D351-V374 HydrophobicContact CB-CG2 4.4Å |
| 352 | S | 93 | Very high | 92.6 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | trans | -73.6 | 125 | 178.4 | -159.4 | 0 | 0 | 0 | 0 | 112.2 | Y349 D350 L372 K373 V374 | Y349-S352 WeakPolarHBondContact O-CB 3.27Å; Y349-S352 PolarHBondContact O-N 2.89Å; Y349-S352 VanDerWaalsContact O-N 3.1Å; D350-S352 PolarHBondContact O-N 3.18Å; S352-L372 CarbonylContact C-O 3.42Å; S352-L372 WeakPolarHBondContact CA-O 3.28Å; S352-L372 PolarHBondContact OG-O 2.95Å; S352-K373 WeakPolarHBondContact OG-CA 3.48Å; S352-V374 PolarHBondContact OG-N 3.22Å; S352-V374 VanDerWaalsContact OG-N 3.14Å | ||
| 353 | G | 92.9 | Very high | 92.4 | Very high | 22 Ų | 22 | 60 Ų | 60 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -167.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | D351 L372 | D351-G353 PolarHBondContact O-N 3.34Å; G353-L372 PolarHBondContact N-O 2.83Å; G353-L372 PolarHBondContact O-N 2.92Å |
| 354 | T | 94.3 | Very high | 92.1 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.7 | 178.5 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | Y369 I370 | T354-Y369 HydrophobicContact CG2-CD1 4.29Å; T354-I370 WeakPolarHBondContact CA-O 3.32Å |
| 355 | Y | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 147.8 | 167.4 | -70.4 | -103.9 | 0 | 0 | 0 | 109.6 | L305 L320 P321 L342 I344 D351 Y369 I370 L372 | L305-Y355 HydrophobicContact CD1-CD1 3.88Å; L305-Y355 HydrophobicContact CD1-CD2 3.83Å; L305-Y355 HydrophobicContact CD1-CE1 4.33Å; L305-Y355 HydrophobicContact CD1-CE2 4.33Å; L305-Y355 HydrophobicContact CD1-CG 3.62Å; L320-Y355 HydrophobicContact CD2-CD1 4.15Å; L320-Y355 HydrophobicContact CD2-CE1 3.55Å; P321-Y355 HydrophobicContact CG-CD2 4.13Å; P321-Y355 HydrophobicContact CG-CE2 3.73Å; L342-Y355 HydrophobicContact CD2-CD1 3.54Å; L342-Y355 HydrophobicContact CD2-CE1 3.73Å; I344-Y355 HydrophobicContact CD1-CE1 3.69Å; I344-Y355 HydrophobicContact CD1-CE2 4.36Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.32Å; D351-Y355 WeakPolarHBondContact CB-OH 3.13Å; D351-Y355 VanDerWaalsContact O-CE2 3.28Å; D351-Y355 WeakPolarHBondContact O-CE2 3.2Å; D351-Y355 PolarHBondContact O-OH 2.93Å; D351-Y355 VanDerWaalsContact O-OH 3.05Å; Y355-Y369 WeakPolarHBondContact O-CA 3.46Å; Y355-I370 PolarHBondContact N-O 3.13Å; Y355-I370 PolarHBondContact O-N 3.47Å; Y355-L372 HydrophobicContact CD2-CB 3.93Å; Y355-L372 HydrophobicContact CD2-CD2 4.4Å; Y355-L372 HydrophobicContact CE2-CB 3.8Å; Y355-L372 HydrophobicContact CE2-CD2 3.64Å; Y355-L372 HydrophobicContact CE2-CG 4.32Å |
| 356 | T | 95.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.1 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | W318 A319 F358 T367 I368 Y369 | W318-T356 CarbonylContact C-O 3.35Å; W318-T356 WeakPolarHBondContact CA-O 3.31Å; A319-T356 PolarHBondContact N-O 2.86Å; A319-T356 PolarHBondContact O-N 2.98Å; T356-F358 HydrophobicContact CG2-CD1 4.18Å; T356-F358 HydrophobicContact CG2-CD2 4.28Å; T356-F358 HydrophobicContact CG2-CE1 3.68Å; T356-F358 HydrophobicContact CG2-CE2 3.79Å; T356-F358 HydrophobicContact CG2-CG 4.46Å; T356-F358 HydrophobicContact CG2-CZ 3.46Å; T356-F358 VanDerWaalsContact CG2-CZ 3.46Å; T356-T367 HydrophobicContact CG2-CG2 3.41Å; T356-T367 VanDerWaalsContact CG2-CG2 3.41Å; T356-I368 WeakPolarHBondContact CA-O 3.41Å; T356-Y369 HydrophobicContact CG2-CD1 3.87Å; T356-Y369 HydrophobicContact CG2-CE1 3.66Å; T356-Y369 WeakPolarHBondContact OG1-CD1 3.32Å |
| 357 | C | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.4 | 164.8 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | C307 T317 W318 T367 I368 | C307-C357 HydrophobicContact CB-CB 3.67Å; C307-C357 WeakPolarHBondContact CB-SG 3.15Å; C307-C357 WeakPolarHBondContact SG-CB 3.2Å; C307-C357 CovalentContact SG-SG 2.03Å; C307-C357 PolarHBondContact SG-SG 3.07Å; T317-C357 CarbonylContact O-C 3.47Å; T317-C357 WeakPolarHBondContact O-CA 3.35Å; W318-C357 HydrophobicContact CD2-CB 4.01Å; W318-C357 HydrophobicContact CE3-CB 4.01Å; W318-C357 HydrophobicContact CH2-CB 4.12Å; W318-C357 HydrophobicContact CZ2-CB 4.1Å; W318-C357 HydrophobicContact CZ3-CB 4.06Å; C357-T367 WeakPolarHBondContact O-CA 3.39Å; C357-I368 HydrophobicContact CB-CB 4.43Å; C357-I368 PolarHBondContact N-O 2.76Å; C357-I368 PolarHBondContact O-N 2.78Å |
| 358 | F | 94.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 68.2 Ų | 68.2 | 31% | 0.311 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.5 | 167.5 | -53.3 | -84.1 | 0 | 0 | 0 | 108.4 | T317 A319 T356 T367 | T317-F358 PolarHBondContact N-O 2.97Å; T317-F358 PolarHBondContact O-N 2.94Å; T317-F358 PolarHBondContact OG1-O 3.32Å; A319-F358 HydrophobicContact CB-CE2 3.98Å; T356-F358 HydrophobicContact CG2-CD1 4.18Å; T356-F358 HydrophobicContact CG2-CD2 4.28Å; T356-F358 HydrophobicContact CG2-CE1 3.68Å; T356-F358 HydrophobicContact CG2-CE2 3.79Å; T356-F358 HydrophobicContact CG2-CG 4.46Å; T356-F358 HydrophobicContact CG2-CZ 3.46Å; T356-F358 VanDerWaalsContact CG2-CZ 3.46Å; F358-T367 HydrophobicContact CD1-CG2 3.71Å; F358-T367 HydrophobicContact CE1-CG2 3.75Å |
| 359 | A | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T309 M314 M315 K316 N365 E366 | T309-A359 HydrophobicContact CG2-CB 3.43Å; T309-A359 VanDerWaalsContact CG2-CB 3.43Å; M314-A359 HydrophobicContact CB-CB 4.22Å; M314-A359 HydrophobicContact CE-CB 4Å; M314-A359 HydrophobicContact SD-CB 4.06Å; M315-A359 CarbonylContact O-C 3.55Å; M315-A359 WeakPolarHBondContact O-CA 3.48Å; K316-A359 HydrophobicContact CG-CB 4.31Å; A359-N365 WeakPolarHBondContact O-CA 3.5Å; A359-E366 HydrophobicContact CB-CB 4.39Å; A359-E366 PolarHBondContact N-O 3.11Å; A359-E366 PolarHBondContact O-N 3.06Å; A359-E366 VanDerWaalsContact O-O 3.14Å |
| 360 | M | 93.4 | Very high | 92.4 | Very high | 75 Ų | 75 | 63 Ų | 63 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 146.8 | -178.2 | 63.8 | -169.5 | 79.6 | 0 | 0 | 112.5 | M315 F364 | M315-M360 HydrophobicContact CB-CG 4.26Å; M315-M360 HydrophobicContact CE-CG 3.69Å; M315-M360 HydrophobicContact CE-SD 3.48Å; M315-M360 WeakPolarHBondContact CE-SD 3.38Å; M315-M360 PolarHBondContact N-O 2.95Å; M315-M360 PolarHBondContact O-N 2.75Å; M360-F364 WeakPolarHBondContact CA-O 3.45Å |
| 361 | S | 90.9 | Very high | 92.6 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 38% | 0.378 | 33% | 0.325 | S | S | . | . | trans | -136.9 | -177 | 166.7 | 68.9 | 0 | 0 | 0 | 0 | 109.2 | S363 F364 | S361-S363 PolarHBondContact O-N 3.15Å; S361-F364 PolarHBondContact N-O 2.86Å; S361-F364 PolarHBondContact OG-N 2.75Å; S361-F364 PolarHBondContact OG-O 2.84Å | ||
| 362 | E | 88.3 | Confident | 92.8 | Very high | 203 Ų | 203 | 59.6 Ų | 59.6 | 95% | 0.949 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -58.4 | -27.8 | -179.9 | -59.5 | -176.8 | 160.5 | 0 | 0 | 113.6 | ||
| 363 | S | 88.8 | Confident | 92.8 | Very high | 97 Ų | 97 | 61.7 Ų | 61.7 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -124.4 | -12.4 | -172.7 | -48.1 | 0 | 0 | 0 | 0 | 114.9 | S361 | S361-S363 PolarHBondContact O-N 3.15Š|
| 364 | F | 86.9 | Confident | 92.8 | Very high | 104 Ų | 104 | 61 Ų | 61 | 46% | 0.456 | 31% | 0.314 | S | S | . | . | trans | -136.9 | 140.5 | -171.7 | -56.5 | -74.4 | 0 | 0 | 0 | 112.2 | H311 M314 M360 S361 | H311-F364 AromaticContact CD2-CG 3.96Å; H311-F364 AromaticContact CE1-CD1 3.73Å; H311-F364 AromaticContact CE1-CD2 3.84Å; H311-F364 AromaticContact CE1-CE1 3.77Å; H311-F364 AromaticContact CE1-CE2 3.87Å; H311-F364 AromaticContact CE1-CG 3.77Å; H311-F364 AromaticContact CE1-CZ 3.84Å; H311-F364 AromaticContact ND1-CD2 3.79Å; H311-F364 AromaticContact ND1-CE2 3.88Å; H311-F364 AromaticContact NE2-CD1 3.68Å; H311-F364 AromaticContact NE2-CG 3.7Å; M314-F364 HydrophobicContact CE-CB 4.16Å; M314-F364 WeakPolarHBondContact CE-O 3.48Å; M360-F364 WeakPolarHBondContact CA-O 3.45Å; S361-F364 PolarHBondContact N-O 2.86Å; S361-F364 PolarHBondContact OG-N 2.75Å; S361-F364 PolarHBondContact OG-O 2.84Å | ||
| 365 | N | 92.5 | Very high | 92.7 | Very high | 147 Ų | 147 | 59.7 Ų | 59.7 | 79% | 0.786 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.7 | 167.6 | 56.3 | 0.7 | 0 | 0 | 0 | 110.8 | A359 | A359-N365 WeakPolarHBondContact O-CA 3.5Å |
| 366 | E | 92.8 | Very high | 92.5 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.6 | 171.9 | -171.4 | 173.3 | -170 | 0 | 0 | 108.6 | R253 T309 K310 M314 A359 I368 | R253-E366 IonicContact CZ-OE1 2.61Å; R253-E366 IonicContact NE-OE1 3.79Å; R253-E366 IonicContact NH2-OE1 3.99Å; R253-E366 PolarHBondContact NH2-OE1 3.37Å; T309-E366 VanDerWaalsContact CA-OE2 3.32Å; T309-E366 WeakPolarHBondContact CA-OE2 3.32Å; K310-E366 VanDerWaalsContact CE-OE1 3.24Å; K310-E366 WeakPolarHBondContact CE-OE1 3.33Å; K310-E366 WeakPolarHBondContact CG-OE2 3.4Å; K310-E366 PolarHBondContact N-OE2 3.32Å; M314-E366 HydrophobicContact CE-CB 4.45Å; A359-E366 HydrophobicContact CB-CB 4.39Å; A359-E366 PolarHBondContact N-O 3.11Å; A359-E366 PolarHBondContact O-N 3.06Å; A359-E366 VanDerWaalsContact O-O 3.14Å; E366-I368 HydrophobicContact CG-CD1 4.47Å; E366-I368 HydrophobicContact CG-CG1 3.98Å |
| 367 | T | 93.9 | Very high | 92.1 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 37% | 0.368 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.9 | 173.7 | -57.6 | 0 | 0 | 0 | 0 | 107.7 | T356 C357 F358 Y369 | T356-T367 HydrophobicContact CG2-CG2 3.41Å; T356-T367 VanDerWaalsContact CG2-CG2 3.41Å; C357-T367 WeakPolarHBondContact O-CA 3.39Å; F358-T367 HydrophobicContact CD1-CG2 3.71Å; F358-T367 HydrophobicContact CE1-CG2 3.75Å; T367-Y369 HydrophobicContact CG2-CE1 4.08Å; T367-Y369 HydrophobicContact CG2-CE2 4.15Å |
| 368 | I | 93 | Very high | 91.6 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.087 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.3 | -175.2 | -54.6 | 179 | 0 | 0 | 0 | 107.4 | D308 T309 T356 C357 E366 I370 | D308-I368 WeakPolarHBondContact O-CD1 3.39Å; T309-I368 HydrophobicContact CG2-CD1 4.19Å; T356-I368 WeakPolarHBondContact CA-O 3.41Å; C357-I368 HydrophobicContact CB-CB 4.43Å; C357-I368 PolarHBondContact N-O 2.76Å; C357-I368 PolarHBondContact O-N 2.78Å; E366-I368 HydrophobicContact CG-CD1 4.47Å; E366-I368 HydrophobicContact CG-CG1 3.98Å; I368-I370 HydrophobicContact CG2-CG1 4.18Å |
| 369 | Y | 92.4 | Very high | 90.7 | Very high | 151 Ų | 151 | 75.7 Ų | 75.7 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.4 | 175.1 | -56.9 | -76.8 | 0 | 0 | 0 | 108.9 | T354 Y355 T356 T367 | T354-Y369 HydrophobicContact CG2-CD1 4.29Å; Y355-Y369 WeakPolarHBondContact O-CA 3.46Å; T356-Y369 HydrophobicContact CG2-CD1 3.87Å; T356-Y369 HydrophobicContact CG2-CE1 3.66Å; T356-Y369 WeakPolarHBondContact OG1-CD1 3.32Å; T367-Y369 HydrophobicContact CG2-CE1 4.08Å; T367-Y369 HydrophobicContact CG2-CE2 4.15Å |
| 370 | I | 92.9 | Very high | 89.2 | Confident | 22 Ų | 22 | 83.4 Ų | 83.4 | 11% | 0.113 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116.8 | 179.1 | -57.5 | 177.8 | 0 | 0 | 0 | 107.5 | E295 L305 S306 W318 T354 Y355 I368 | E295-I370 HydrophobicContact CG-CG2 3.84Å; L305-I370 HydrophobicContact CB-CD1 4.34Å; L305-I370 HydrophobicContact CD1-CG2 4.46Å; L305-I370 HydrophobicContact CD2-CG2 4.21Å; S306-I370 WeakPolarHBondContact O-CD1 3.4Å; W318-I370 HydrophobicContact CH2-CD1 3.72Å; W318-I370 HydrophobicContact CZ3-CD1 4Å; T354-I370 WeakPolarHBondContact CA-O 3.32Å; Y355-I370 PolarHBondContact N-O 3.13Å; Y355-I370 PolarHBondContact O-N 3.47Å; I368-I370 HydrophobicContact CG2-CG1 4.18Å |
| 371 | V | 93.4 | Very high | 87.2 | Confident | 81 Ų | 81 | 82.7 Ų | 82.7 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.2 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | G294 E295 | G294-V371 CarbonylContact C-O 3.6Å; G294-V371 VanDerWaalsContact CA-O 3.26Å; G294-V371 WeakPolarHBondContact CA-O 3.21Å; E295-V371 PolarHBondContact N-O 3.21Å |
| 372 | L | 94 | Very high | 85.3 | Confident | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.005 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.6 | 175.7 | 178.1 | 57.1 | 0 | 0 | 0 | 110.6 | E295 A297 L303 I344 S352 G353 Y355 V374 | E295-L372 HydrophobicContact CB-CD1 4.06Å; E295-L372 WeakPolarHBondContact O-CA 3.49Å; E295-L372 WeakPolarHBondContact O-CD1 3.47Å; A297-L372 HydrophobicContact CB-CD1 3.79Å; L303-L372 HydrophobicContact CD2-CD1 3.46Å; L303-L372 VanDerWaalsContact CD2-CD1 3.46Å; L303-L372 HydrophobicContact CD2-CD2 3.65Å; L303-L372 HydrophobicContact CD2-CG 4.23Å; I344-L372 HydrophobicContact CD1-CD2 3.93Å; S352-L372 CarbonylContact C-O 3.42Å; S352-L372 WeakPolarHBondContact CA-O 3.28Å; S352-L372 PolarHBondContact OG-O 2.95Å; G353-L372 PolarHBondContact N-O 2.83Å; G353-L372 PolarHBondContact O-N 2.92Å; Y355-L372 HydrophobicContact CD2-CB 3.93Å; Y355-L372 HydrophobicContact CD2-CD2 4.4Å; Y355-L372 HydrophobicContact CE2-CB 3.8Å; Y355-L372 HydrophobicContact CE2-CD2 3.64Å; Y355-L372 HydrophobicContact CE2-CG 4.32Å; L372-V374 HydrophobicContact CD2-CG2 4.29Å; L372-V374 HydrophobicContact CG-CG2 4.09Å |
| 373 | K | 93.6 | Very high | 83.4 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 43% | 0.426 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.3 | 176 | 179.7 | -177.7 | 160 | -154.9 | 0 | 110.2 | E295 E296 A297 S352 | E295-K373 PolarHBondContact O-N 3.13Å; E296-K373 WeakPolarHBondContact CA-O 3.03Å; E296-K373 HydrophobicContact CG-CB 4.46Å; E296-K373 HydrophobicContact CG-CD 4.37Å; E296-K373 WeakPolarHBondContact OE1-CD 3.27Å; E296-K373 WeakPolarHBondContact OE1-CE 3.36Å; E296-K373 IonicContact OE1-NZ 2.77Å; E296-K373 PolarHBondContact OE1-NZ 2.88Å; A297-K373 PolarHBondContact N-O 2.76Å; S352-K373 WeakPolarHBondContact OG-CA 3.48Å |
| 374 | V | 93.1 | Very high | 81.7 | Confident | 7 Ų | 7 | 78.7 Ų | 78.7 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.4 | 178.7 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | A297 L299 V347 R348 D351 S352 L372 | A297-V374 HydrophobicContact CB-CG2 4.41Å; A297-V374 CarbonylContact O-C 3.35Å; A297-V374 WeakPolarHBondContact O-CA 3.47Å; L299-V374 HydrophobicContact CD2-CG1 4.03Å; V347-V374 HydrophobicContact CG1-CB 4.46Å; V347-V374 HydrophobicContact CG1-CG1 3.74Å; V347-V374 HydrophobicContact CG1-CG2 3.81Å; R348-V374 WeakPolarHBondContact O-CG1 3.41Å; D351-V374 HydrophobicContact CB-CG2 4.4Å; S352-V374 PolarHBondContact OG-N 3.22Å; S352-V374 VanDerWaalsContact OG-N 3.14Å; L372-V374 HydrophobicContact CD2-CG2 4.29Å; L372-V374 HydrophobicContact CG-CG2 4.09Å |
| 375 | H | 92.1 | Very high | 80.3 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 18% | 0.176 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 142.3 | 172.8 | -71.2 | -100.9 | 0 | 0 | 0 | 110.6 | E296 A297 F298 L299 F377 | E296-H375 IonicContact OE1-NE2 3.69Å; E296-H375 IonicContact OE2-NE2 3.62Å; A297-H375 WeakPolarHBondContact O-CB 3.23Å; A297-H375 PolarHBondContact O-CD2 3.43Å; A297-H375 PolarHBondContact O-N 2.95Å; F298-H375 HydrophobicContact CD1-CB 3.82Å; F298-H375 HydrophobicContact CE1-CB 4.07Å; F298-H375 AromaticContact CE1-CG 3.98Å; L299-H375 WeakPolarHBondContact CG-O 3.35Å; H375-F377 HydrophobicContact CB-CD1 4.05Å; H375-F377 HydrophobicContact CB-CE1 3.78Å; H375-F377 HydrophobicContact CB-CZ 4.06Å; H375-F377 AromaticContact ND1-CE1 3.65Å; H375-F377 AromaticContact ND1-CZ 3.83Å; H375-F377 PolarHBondContact O-N 2.84Å |
| 376 | N | 90.6 | Very high | 78.5 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 66% | 0.663 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 25.8 | -177.5 | 67.4 | -29.7 | 0 | 0 | 0 | 114.3 | Y349 | Y349-N376 HydrophobicContact CD2-CB 4.41Å |
| 377 | F | 86.9 | Confident | 76.9 | Confident | 105 Ų | 105 | 81.5 Ų | 81.5 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.2 | 178.3 | 58.6 | -94.8 | 0 | 0 | 0 | 110.9 | F298 L299 H375 | F298-F377 WeakPolarHBondContact CB-O 3.28Å; F298-F377 AromaticContact CD1-CD2 3.89Å; F298-F377 HydrophobicContact CD1-CD2 3.89Å; F298-F377 AromaticContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CE2 3.47Å; F298-F377 VanDerWaalsContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CZ 4.05Å; F298-F377 HydrophobicContact CE1-CD2 4.3Å; F298-F377 AromaticContact CE1-CE2 3.42Å; F298-F377 HydrophobicContact CE1-CE2 3.42Å; F298-F377 VanDerWaalsContact CE1-CE2 3.42Å; F298-F377 AromaticContact CE1-CZ 3.7Å; F298-F377 HydrophobicContact CE1-CZ 3.7Å; L299-F377 PolarHBondContact N-O 2.91Å; H375-F377 HydrophobicContact CB-CD1 4.05Å; H375-F377 HydrophobicContact CB-CE1 3.78Å; H375-F377 HydrophobicContact CB-CZ 4.06Å; H375-F377 AromaticContact ND1-CE1 3.65Å; H375-F377 AromaticContact ND1-CZ 3.83Å; H375-F377 PolarHBondContact O-N 2.84Å |
| 378 | T | 85.8 | Confident | 75.4 | Confident | 48 Ų | 48 | 83 Ų | 83 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 149.6 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | L299 E300 H380 G381 | L299-T378 HydrophobicContact CB-CG2 3.95Å; E300-T378 HydrophobicContact CB-CG2 4.33Å; E300-T378 HydrophobicContact CG-CG2 4.12Å; T378-H380 PolarHBondContact O-N 3.29Å; T378-G381 PolarHBondContact O-N 2.92Å |
| 379 | M | 73.7 | Confident | 74.3 | Confident | 136 Ų | 136 | 84.9 Ų | 84.9 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.6 | -174.6 | -166.4 | -175.3 | -174.9 | 0 | 0 | 114.1 | F298 | F298-M379 HydrophobicContact CB-CB 4.24Å; F298-M379 HydrophobicContact CD2-CB 4.08Å; F298-M379 HydrophobicContact CD2-CG 4.09Å; F298-M379 HydrophobicContact CE2-CG 4.46Å; F298-M379 HydrophobicContact CG-CB 4.19Å |
| 380 | H | 63.9 | Low | 73.5 | Confident | 164 Ų | 164 | 85.2 Ų | 85.2 | 76% | 0.759 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -7.1 | -179.1 | -67 | -57.1 | 0 | 0 | 0 | 115 | T378 A382 G383 | T378-H380 PolarHBondContact O-N 3.29Å; H380-A382 PolarHBondContact O-N 3.35Å; H380-G383 PolarHBondContact O-N 3.17Å; H380-G383 VanDerWaalsContact O-N 3.15Å |
| 381 | G | 52.6 | Low | 72.6 | Confident | 60 Ų | 60 | 88.4 Ų | 88.4 | 62% | 0.619 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -8.9 | -168 | 0 | 0 | 0 | 0 | 0 | 117.4 | T378 | T378-G381 PolarHBondContact O-N 2.92Š|
| 382 | A | 50.1 | Low | 72 | Confident | 73 Ų | 73 | 88.8 Ų | 88.8 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -23 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H380 E384 T385 | H380-A382 PolarHBondContact O-N 3.35Å; A382-E384 PolarHBondContact O-N 2.95Å; A382-T385 PolarHBondContact O-OG1 3.37Å |
| 383 | G | 48.5 | Very low | 71.6 | Confident | 39 Ų | 39 | 93.4 Ų | 93.4 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -32 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H380 T385 L386 | H380-G383 PolarHBondContact O-N 3.17Å; H380-G383 VanDerWaalsContact O-N 3.15Å; G383-T385 VanDerWaalsContact C-N 3.28Å; G383-T385 PolarHBondContact O-N 3.18Å; G383-L386 PolarHBondContact O-N 3.07Å |
| 384 | E | 53.9 | Low | 71.3 | Confident | 159 Ų | 159 | 92 Ų | 92 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.5 | -23.8 | -173.8 | -57.5 | -161.5 | 141.7 | 0 | 0 | 113.4 | A382 L386 N387 | A382-E384 PolarHBondContact O-N 2.95Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.89Å; E384-N387 PolarHBondContact O-N 2.94Å |
| 385 | T | 55.5 | Low | 70.9 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.7 | -25.3 | 179.4 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | A382 G383 T388 | A382-T385 PolarHBondContact O-OG1 3.37Å; G383-T385 VanDerWaalsContact C-N 3.28Å; G383-T385 PolarHBondContact O-N 3.18Å; T385-T388 PolarHBondContact O-OG1 3.12Å |
| 386 | L | 55.3 | Low | 70.7 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.6 | -27.9 | 175.2 | -67.7 | 171.4 | 0 | 0 | 0 | 112.1 | G383 E384 T388 A389 Y390 | G383-L386 PolarHBondContact O-N 3.07Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.89Å; L386-T388 PolarHBondContact O-N 3.05Å; L386-A389 PolarHBondContact O-N 3.28Å; L386-Y390 PolarHBondContact O-N 3.5Å |
| 387 | N | 59.2 | Low | 70.8 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 54% | 0.54 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -33.6 | -178.6 | -72.9 | -25.5 | 0 | 0 | 0 | 112.3 | E384 T391 | E384-N387 PolarHBondContact O-N 2.94Å; N387-T391 WeakPolarHBondContact O-CB 3.49Å; N387-T391 VanDerWaalsContact O-CG2 3.28Å; N387-T391 WeakPolarHBondContact O-CG2 3.49Å; N387-T391 PolarHBondContact O-N 2.86Å; N387-T391 PolarHBondContact O-OG1 2.96Å |
| 388 | T | 62.9 | Low | 70.9 | Confident | 91 Ų | 91 | 92 Ų | 92 | 56% | 0.558 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.6 | -39.4 | 174.9 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | T385 L386 T391 T392 | T385-T388 PolarHBondContact O-OG1 3.12Å; L386-T388 PolarHBondContact O-N 3.05Å; T388-T391 WeakPolarHBondContact CA-OG1 3.38Å; T388-T391 PolarHBondContact O-OG1 2.98Å; T388-T392 WeakPolarHBondContact O-CB 3.3Å; T388-T392 WeakPolarHBondContact O-CG2 3.26Å; T388-T392 PolarHBondContact O-N 3.14Å; T388-T392 PolarHBondContact O-OG1 2.76Å |
| 389 | A | 69.5 | Low | 71 | Confident | 57 Ų | 57 | 92.7 Ų | 92.7 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -41.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L386 T392 L393 | L386-A389 PolarHBondContact O-N 3.28Å; A389-T392 PolarHBondContact O-OG1 3.26Å; A389-T392 VanDerWaalsContact O-OG1 3.06Å; A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 PolarHBondContact O-N 2.94Å; A389-L393 VanDerWaalsContact O-N 3.11Å |
| 390 | Y | 75.3 | Confident | 71.8 | Confident | 158 Ų | 158 | 90.2 Ų | 90.2 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.2 | -43.2 | 178.7 | -170.2 | -99.2 | 0 | 0 | 0 | 112.8 | L386 L393 V394 | L386-Y390 PolarHBondContact O-N 3.5Å; Y390-L393 PolarHBondContact O-N 3.17Å; Y390-V394 HydrophobicContact CD1-CG2 4.1Å; Y390-V394 HydrophobicContact CE1-CG2 3.77Å; Y390-V394 WeakPolarHBondContact O-CG2 3.23Å; Y390-V394 PolarHBondContact O-N 2.89Å |
| 391 | T | 75.6 | Confident | 72.9 | Confident | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | N387 T388 G395 | N387-T391 WeakPolarHBondContact O-CB 3.49Å; N387-T391 VanDerWaalsContact O-CG2 3.28Å; N387-T391 WeakPolarHBondContact O-CG2 3.49Å; N387-T391 PolarHBondContact O-N 2.86Å; N387-T391 PolarHBondContact O-OG1 2.96Å; T388-T391 WeakPolarHBondContact CA-OG1 3.38Å; T388-T391 PolarHBondContact O-OG1 2.98Å; T391-G395 PolarHBondContact O-N 3.5Å |
| 392 | T | 80.5 | Confident | 74.4 | Confident | 89 Ų | 89 | 89 Ų | 89 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 172.2 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | T388 A389 V394 G395 C396 | T388-T392 WeakPolarHBondContact O-CB 3.3Å; T388-T392 WeakPolarHBondContact O-CG2 3.26Å; T388-T392 PolarHBondContact O-N 3.14Å; T388-T392 PolarHBondContact O-OG1 2.76Å; A389-T392 PolarHBondContact O-OG1 3.26Å; A389-T392 VanDerWaalsContact O-OG1 3.06Å; T392-V394 PolarHBondContact O-N 2.73Å; T392-G395 PolarHBondContact O-N 3.3Å; T392-C396 PolarHBondContact O-N 3.34Å; T392-C396 PolarHBondContact O-SG 2.84Å; T392-C396 VanDerWaalsContact O-SG 3.41Å |
| 393 | L | 85.9 | Confident | 76.1 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 174.2 | -177.7 | 69.3 | 0 | 0 | 0 | 112.1 | A389 Y390 G395 C396 L397 | A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 PolarHBondContact O-N 2.94Å; A389-L393 VanDerWaalsContact O-N 3.11Å; Y390-L393 PolarHBondContact O-N 3.17Å; L393-G395 VanDerWaalsContact C-N 3.35Å; L393-G395 PolarHBondContact O-N 2.7Å; L393-C396 PolarHBondContact O-N 3.26Å; L393-L397 HydrophobicContact CG-CD1 4.24Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 2.72Å |
| 394 | V | 86.3 | Confident | 77.6 | Confident | 67 Ų | 67 | 91.7 Ų | 91.7 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | Y390 T392 L397 A398 | Y390-V394 HydrophobicContact CD1-CG2 4.1Å; Y390-V394 HydrophobicContact CE1-CG2 3.77Å; Y390-V394 WeakPolarHBondContact O-CG2 3.23Å; Y390-V394 PolarHBondContact O-N 2.89Å; T392-V394 PolarHBondContact O-N 2.73Å; V394-L397 PolarHBondContact O-N 2.99Å; V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 2.84Å |
| 395 | G | 84 | Confident | 78.9 | Confident | 40 Ų | 40 | 88.9 Ų | 88.9 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T391 T392 L393 A398 S399 | T391-G395 PolarHBondContact O-N 3.5Å; T392-G395 PolarHBondContact O-N 3.3Å; L393-G395 VanDerWaalsContact C-N 3.35Å; L393-G395 PolarHBondContact O-N 2.7Å; G395-A398 PolarHBondContact O-N 2.87Å; G395-S399 WeakPolarHBondContact O-CB 3.38Å; G395-S399 PolarHBondContact O-N 3.04Å; G395-S399 PolarHBondContact O-OG 3.07Å |
| 396 | C | 89.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 91.9 Ų | 91.9 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 174 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | T392 L393 S399 V400 | T392-C396 PolarHBondContact O-N 3.34Å; T392-C396 PolarHBondContact O-SG 2.84Å; T392-C396 VanDerWaalsContact O-SG 3.41Å; L393-C396 PolarHBondContact O-N 3.26Å; C396-S399 PolarHBondContact O-N 3.07Å; C396-S399 PolarHBondContact O-OG 2.73Å; C396-S399 VanDerWaalsContact O-OG 3.06Å; C396-V400 WeakPolarHBondContact O-CG2 3.36Å; C396-V400 PolarHBondContact O-N 3.21Å |
| 397 | L | 91.6 | Very high | 80.7 | Confident | 106 Ų | 106 | 91.3 Ų | 91.3 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 176.2 | -71.4 | 169.2 | 0 | 0 | 0 | 111.4 | L393 V394 V400 V401 | L393-L397 HydrophobicContact CG-CD1 4.24Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 2.72Å; V394-L397 PolarHBondContact O-N 2.99Å; L397-V400 PolarHBondContact O-N 3.41Å; L397-V401 WeakPolarHBondContact O-CG2 3.2Å; L397-V401 PolarHBondContact O-N 3.33Å |
| 398 | A | 89.2 | Confident | 81.2 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V394 G395 V401 L402 | V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 2.84Å; G395-A398 PolarHBondContact O-N 2.87Å; A398-V401 PolarHBondContact O-N 3.39Å; A398-L402 WeakPolarHBondContact O-CB 3.33Å; A398-L402 WeakPolarHBondContact O-CG 3.42Å; A398-L402 PolarHBondContact O-N 2.98Å |
| 399 | S | 87.4 | Confident | 81.3 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 43% | 0.434 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 178.3 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | G395 C396 L402 V403 | G395-S399 WeakPolarHBondContact O-CB 3.38Å; G395-S399 PolarHBondContact O-N 3.04Å; G395-S399 PolarHBondContact O-OG 3.07Å; C396-S399 PolarHBondContact O-N 3.07Å; C396-S399 PolarHBondContact O-OG 2.73Å; C396-S399 VanDerWaalsContact O-OG 3.06Å; S399-L402 PolarHBondContact O-N 3.31Å; S399-V403 WeakPolarHBondContact O-CG2 3.14Å; S399-V403 PolarHBondContact O-N 2.89Å |
| 400 | V | 91.1 | Very high | 80.9 | Confident | 85 Ų | 85 | 97.9 Ų | 97.9 | 52% | 0.515 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 171.9 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | C396 L397 V403 L404 | C396-V400 WeakPolarHBondContact O-CG2 3.36Å; C396-V400 PolarHBondContact O-N 3.21Å; L397-V400 PolarHBondContact O-N 3.41Å; V400-V403 PolarHBondContact O-N 3.3Å; V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 WeakPolarHBondContact O-CG 3.14Å; V400-L404 PolarHBondContact O-N 3.07Å |
| 401 | V | 88.4 | Confident | 80 | Confident | 76 Ų | 76 | 95.5 Ų | 95.5 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L397 A398 V403 L404 M405 | L397-V401 WeakPolarHBondContact O-CG2 3.2Å; L397-V401 PolarHBondContact O-N 3.33Å; A398-V401 PolarHBondContact O-N 3.39Å; V401-V403 PolarHBondContact O-N 3.46Å; V401-L404 PolarHBondContact O-N 3.3Å; V401-M405 HydrophobicContact CG1-CE 4.44Å; V401-M405 HydrophobicContact CG1-CG 4.35Å; V401-M405 VanDerWaalsContact O-CG 3.32Å; V401-M405 WeakPolarHBondContact O-CG 3.07Å; V401-M405 PolarHBondContact O-N 3.2Å |
| 402 | L | 82.9 | Confident | 78.9 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 64% | 0.644 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 176.9 | -76.9 | 166.9 | 0 | 0 | 0 | 112.9 | A398 S399 M405 Y406 | A398-L402 WeakPolarHBondContact O-CB 3.33Å; A398-L402 WeakPolarHBondContact O-CG 3.42Å; A398-L402 PolarHBondContact O-N 2.98Å; S399-L402 PolarHBondContact O-N 3.31Å; L402-M405 PolarHBondContact O-N 3.14Å; L402-Y406 WeakPolarHBondContact O-CB 3.2Å; L402-Y406 PolarHBondContact O-N 3.3Å |
| 403 | V | 85.3 | Confident | 77.4 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 52% | 0.515 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 174.4 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | S399 V400 V401 Y406 L407 | S399-V403 WeakPolarHBondContact O-CG2 3.14Å; S399-V403 PolarHBondContact O-N 2.89Å; V400-V403 PolarHBondContact O-N 3.3Å; V401-V403 PolarHBondContact O-N 3.46Å; V403-Y406 PolarHBondContact O-N 3.33Å; V403-L407 HydrophobicContact CG1-CD1 3.83Å; V403-L407 HydrophobicContact CG1-CG 4.41Å; V403-L407 WeakPolarHBondContact O-CB 3.43Å; V403-L407 VanDerWaalsContact O-CG 3.31Å; V403-L407 WeakPolarHBondContact O-CG 3.5Å; V403-L407 PolarHBondContact O-N 3.47Å |
| 404 | L | 81.5 | Confident | 75.4 | Confident | 82 Ų | 82 | 105.4 Ų | 105.4 | 43% | 0.429 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -42.7 | 174.5 | -70.9 | 169.6 | 0 | 0 | 0 | 111.8 | V400 V401 Y406 L407 Y408 | V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 WeakPolarHBondContact O-CG 3.14Å; V400-L404 PolarHBondContact O-N 3.07Å; V401-L404 PolarHBondContact O-N 3.3Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-Y406 PolarHBondContact O-N 2.98Å; L404-L407 PolarHBondContact O-N 2.89Å; L404-Y408 HydrophobicContact CD2-CD2 4.14Å; L404-Y408 HydrophobicContact CD2-CE2 3.81Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 WeakPolarHBondContact O-CD2 3.34Å; L404-Y408 PolarHBondContact O-N 2.91Å |
| 405 | M | 79.6 | Confident | 73.6 | Confident | 100 Ų | 100 | 111.3 Ų | 111.3 | 49% | 0.493 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.8 | -39.4 | 173.6 | -66.3 | -50.7 | -166 | 0 | 0 | 111.5 | V401 L402 L409 | V401-M405 HydrophobicContact CG1-CE 4.44Å; V401-M405 HydrophobicContact CG1-CG 4.35Å; V401-M405 VanDerWaalsContact O-CG 3.32Å; V401-M405 WeakPolarHBondContact O-CG 3.07Å; V401-M405 PolarHBondContact O-N 3.2Å; L402-M405 PolarHBondContact O-N 3.14Å; M405-L409 HydrophobicContact CB-CD1 4.45Å; M405-L409 HydrophobicContact CE-CD1 4.5Å; M405-L409 HydrophobicContact CG-CD1 4.42Å; M405-L409 WeakPolarHBondContact O-CA 3.41Å; M405-L409 VanDerWaalsContact O-CB 3.23Å; M405-L409 WeakPolarHBondContact O-CB 3.22Å; M405-L409 PolarHBondContact O-N 3.49Å; M405-L409 HydrophobicContact SD-CD1 3.41Å; M405-L409 WeakPolarHBondContact SD-CD1 2.95Å; M405-L409 HydrophobicContact SD-CG 4.1Å |
| 406 | Y | 75.1 | Confident | 71.5 | Confident | 165 Ų | 165 | 115.6 Ų | 115.6 | 65% | 0.647 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.7 | -45.8 | 174.7 | -173.1 | -96.4 | 0 | 0 | 0 | 111.8 | L402 V403 L404 T410 | L402-Y406 WeakPolarHBondContact O-CB 3.2Å; L402-Y406 PolarHBondContact O-N 3.3Å; V403-Y406 PolarHBondContact O-N 3.33Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-Y406 PolarHBondContact O-N 2.98Å; Y406-T410 HydrophobicContact CD2-CG2 4.02Å; Y406-T410 HydrophobicContact CE2-CG2 4.16Å; Y406-T410 HydrophobicContact CG-CG2 4.47Å; Y406-T410 VanDerWaalsContact O-CG2 3.28Å; Y406-T410 WeakPolarHBondContact O-CG2 3.37Å; Y406-T410 PolarHBondContact O-OG1 2.95Å |
| 407 | L | 74.3 | Confident | 68.9 | Low | 114 Ų | 114 | 116.8 Ų | 116.8 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.1 | -29.5 | -178 | -69.8 | 170.8 | 0 | 0 | 0 | 114.3 | V403 L404 | V403-L407 HydrophobicContact CG1-CD1 3.83Å; V403-L407 HydrophobicContact CG1-CG 4.41Å; V403-L407 WeakPolarHBondContact O-CB 3.43Å; V403-L407 VanDerWaalsContact O-CG 3.31Å; V403-L407 WeakPolarHBondContact O-CG 3.5Å; V403-L407 PolarHBondContact O-N 3.47Å; L404-L407 PolarHBondContact O-N 2.89Å |
| 408 | Y | 70.2 | Confident | 66.7 | Low | 191 Ų | 191 | 117.1 Ų | 117.1 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -111.4 | -17.4 | -173.8 | -70.2 | -81.2 | 0 | 0 | 0 | 115 | L404 | L404-Y408 HydrophobicContact CD2-CD2 4.14Å; L404-Y408 HydrophobicContact CD2-CE2 3.81Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 WeakPolarHBondContact O-CD2 3.34Å; L404-Y408 PolarHBondContact O-N 2.91Å |
| 409 | L | 65.2 | Low | 64.1 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -114.2 | 9.6 | 178.8 | -56.8 | -177.3 | 0 | 0 | 0 | 114.8 | M405 P411 | M405-L409 HydrophobicContact CB-CD1 4.45Å; M405-L409 HydrophobicContact CE-CD1 4.5Å; M405-L409 HydrophobicContact CG-CD1 4.42Å; M405-L409 WeakPolarHBondContact O-CA 3.41Å; M405-L409 VanDerWaalsContact O-CB 3.23Å; M405-L409 WeakPolarHBondContact O-CB 3.22Å; M405-L409 PolarHBondContact O-N 3.49Å; M405-L409 HydrophobicContact SD-CD1 3.41Å; M405-L409 WeakPolarHBondContact SD-CD1 2.95Å; M405-L409 HydrophobicContact SD-CG 4.1Å; L409-P411 WeakPolarHBondContact O-CD 3.45Å |
| 410 | T | 61.2 | Low | 61.6 | Low | 74 Ų | 74 | 126.5 Ų | 126.5 | 45% | 0.454 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -90.2 | 102.5 | 163.9 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | Y406 C412 | Y406-T410 HydrophobicContact CD2-CG2 4.02Å; Y406-T410 HydrophobicContact CE2-CG2 4.16Å; Y406-T410 HydrophobicContact CG-CG2 4.47Å; Y406-T410 VanDerWaalsContact O-CG2 3.28Å; Y406-T410 WeakPolarHBondContact O-CG2 3.37Å; Y406-T410 PolarHBondContact O-OG1 2.95Å; T410-C412 PolarHBondContact O-N 3.2Å |
| 411 | P | 56.1 | Low | 58.9 | Low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -75.7 | 113.6 | -179 | 30.2 | -35.2 | 0 | 0 | 0 | 111.1 | L409 R413 | L409-P411 WeakPolarHBondContact O-CD 3.45Å; P411-R413 PolarHBondContact O-N 3.33Å | ||
| 412 | C | 51.9 | Low | 56.3 | Low | 133 Ų | 133 | 131.6 Ų | 131.6 | 90% | 0.899 | 71% | 0.706 | S | S | * | * | trans | -54.5 | 112.8 | 173.8 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | T410 | T410-C412 PolarHBondContact O-N 3.2Š| ||
| 413 | R | 49.3 | Very low | 53.9 | Low | 227 Ų | 227 | 132.1 Ų | 132.1 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -117.3 | 99.5 | 173.3 | -81.6 | -167.6 | 172.7 | -161.4 | 0.2 | 111.4 | P411 | P411-R413 PolarHBondContact O-N 3.33Š| ||
| 414 | C | 44.3 | Very low | 51.5 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | 157 | 138.2 | 115.4 | -85.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 415 | F | 47.8 | Very low | 49.1 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | -133.9 | 92.5 | 176.6 | -167.8 | -81.7 | 0 | 0 | 0 | 108.7 | ||||
| 416 | C | 39.5 | Very low | 47 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -148 | 108.6 | 175.3 | -95.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 417 | C | 35.7 | Very low | 44.9 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -60.4 | -173 | 176.4 | -46.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 418 | P | 45.7 | Very low | 42.9 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -139.8 | 158.2 | -5.3 | 27.1 | -3.3 | 0 | 0 | 0 | 118.3 | ||||
| 419 | S | 33.2 | Very low | 41.7 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 49.6 | 120.6 | 143.2 | 73.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 420 | K | 35.8 | Very low | 40.2 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | 161.2 | 145.5 | 111.4 | -90 | 171.9 | -179.1 | 174.4 | 0 | 111.9 | |||||
| 421 | G | 33.2 | Very low | 38.9 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 116.5 | 91.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 422 | K | 33.5 | Very low | 37.8 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 47.6 | 137.9 | 133.6 | -81.2 | -173 | 171.6 | -177 | 0 | 123.6 | ||||
| 423 | T | 33.1 | Very low | 36.8 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | 81.3 | 144.5 | 139.7 | 42.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 424 | R | 34.5 | Very low | 35.9 | Very low | 253 Ų | 253 | 140.9 Ų | 140.9 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | trans | -69.3 | 150.7 | 170.2 | -67.3 | 170 | 166.1 | 164.8 | -8.3 | 111 | ||||
| 425 | G | 31.4 | Very low | 35.2 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 170.6 | 132.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 426 | E | 35.8 | Very low | 34.5 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -72.6 | 141.1 | 163.4 | -67.1 | 145.7 | 129.2 | 0 | 0 | 107.9 | ||||
| 427 | D | 30.6 | Very low | 34.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | 177.8 | 162.6 | 113.7 | -111.8 | -33.8 | 0 | 0 | 0 | 115.6 | |||||
| 428 | S | 32.6 | Very low | 34.7 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | 57.3 | 115 | 151.1 | -156.9 | 0 | 0 | 0 | 0 | 120.9 | H430 | S428-H430 PolarHBondContact O-N 3.06Š| ||
| 429 | I | 44.7 | Very low | 34 | Very low | 166 Ų | 166 | 137 Ų | 137 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 119 | 158.2 | -64.7 | 164.4 | 0 | 0 | 0 | 109.3 | ||||
| 430 | H | 34.7 | Very low | 34.1 | Very low | 158 Ų | 158 | 139 Ų | 139 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | trans | -123.9 | 142.9 | 154.2 | -100.9 | -107.5 | 0 | 0 | 0 | 107 | S428 | S428-H430 PolarHBondContact O-N 3.06Š| ||
| 431 | S | 32.5 | Very low | 33.7 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -141 | 131.8 | 27.7 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 432 | S | 34.2 | Very low | 33.4 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -60.7 | 166.6 | 143.6 | -41.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 433 | M | 31 | Very low | 34.2 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | cis | -168.5 | 153.5 | 14.1 | -142.7 | 166.9 | 179 | 0 | 0 | 110.4 | ||||
| 434 | L | 30.7 | Very low | 34 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | trans | 39.2 | 146.7 | 144.1 | -72.2 | 171.3 | 0 | 0 | 0 | 124.7 | V436 | L434-V436 HydrophobicContact CB-CG2 4.27Å; L434-V436 HydrophobicContact CD1-CG2 4.3Å; L434-V436 HydrophobicContact CD2-CG2 4.04Å; L434-V436 HydrophobicContact CG-CG2 4.44Å | ||
| 435 | S | 29.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -139.5 | 147.9 | 142.4 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 436 | V | 32.2 | Very low | 33.8 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | trans | -148.3 | 139.7 | -149.2 | 157.5 | 0 | 0 | 0 | 0 | 110.7 | L434 | L434-V436 HydrophobicContact CB-CG2 4.27Å; L434-V436 HydrophobicContact CD1-CG2 4.3Å; L434-V436 HydrophobicContact CD2-CG2 4.04Å; L434-V436 HydrophobicContact CG-CG2 4.44Å | ||
| 437 | T | 32.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | -147.3 | -87.2 | -10.5 | 24 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 438 | P | 47.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | -98.4 | 177.1 | -95.1 | 37.1 | -22.7 | 0 | 0 | 0 | 113.1 | |||||
| 439 | T | 32.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | -155.9 | 180 | 34.2 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 440 | H | 33.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | cis | -151.1 | 132.8 | 6.9 | -146.9 | -89.1 | 0 | 0 | 0 | 110.8 | ||||
| 441 | E | 27.9 | Very low | 32.5 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | 58.6 | 163.3 | 154.7 | -76.7 | 171.2 | 171.8 | 0 | 0 | 124.3 | ||||
| 442 | D | 26.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | trans | -152.8 | -169.4 | -160.7 | -155.1 | 26.8 | 0 | 0 | 0 | 105.4 | ||||
| 443 | P | 50.9 | Low | 32.5 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | cis | -134.6 | 177 | -9.4 | 44.3 | -28.6 | 0 | 0 | 0 | 115.3 | ||||
| 444 | S | 29.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | 177 | 106.3 | 114.1 | 42.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 445 | M | 31 | Very low | 32.3 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | trans | 64.9 | 126.9 | 133.7 | -66.9 | -151.2 | -175.3 | 0 | 0 | 123.9 | ||||
| 446 | K | 29.7 | Very low | 32.4 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | 74.7 | 156.6 | 142.9 | -68.2 | 167.5 | -179.6 | 176.9 | 0 | 118.9 | ||||
| 447 | A | 30.3 | Very low | 32.3 | Very low | 72 Ų | 72 | 141.1 Ų | 141.1 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | cis | -177 | 150.5 | -31.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 448 | E | 28.9 | Very low | 32.2 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 161 | 154.8 | -72.4 | -175.2 | 109.5 | 0 | 0 | 118.8 | ||||
| 449 | L | 30.1 | Very low | 31.5 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | cis | -159.5 | 137.8 | -40.2 | -157.1 | 80.3 | 0 | 0 | 0 | 110.6 | ||||
| 450 | N | 29.3 | Very low | 31.4 | Very low | 108 Ų | 108 | 145 Ų | 145 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | trans | 59.2 | 135.9 | 144.5 | -90.3 | -31.7 | 0 | 0 | 0 | 124.5 | ||||
| 451 | R | 33.2 | Very low | 31.2 | Very low | 210 Ų | 210 | 144.8 Ų | 144.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 78.4 | 153.1 | 131.5 | -73.1 | 173 | -174.1 | -170.3 | -1.6 | 121 | ||||
| 452 | H | 35.7 | Very low | 31.2 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -179.3 | 146.7 | -32.4 | -125.6 | 39.1 | 0 | 0 | 0 | 111.7 | ||||
| 453 | V | 31.8 | Very low | 31.2 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | 54.7 | 165.7 | 161.7 | -101.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 454 | A | 29.2 | Very low | 30.1 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | cis | -149.7 | 165.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 455 | F | 27.2 | Very low | 30 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | trans | -93.8 | 143.1 | 164 | -84.9 | -102.7 | 0 | 0 | 0 | 111.6 | ||||
| 456 | I | 31.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -141.8 | 143.6 | 148.6 | -63.6 | -173.5 | 0 | 0 | 0 | 107.4 | ||||
| 457 | D | 30.7 | Very low | 29.9 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -133.4 | 148.6 | 177 | -177.1 | 21 | 0 | 0 | 0 | 110.2 | ||||
| 458 | S | 30 | Very low | 29.9 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -171.2 | 139.7 | 173.2 | -78.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 459 | K | 31.7 | Very low | 30.2 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -101.4 | 152.9 | 164.4 | -66.6 | 178.9 | 175.4 | 175.7 | 0 | 109 | ||||
| 460 | D | 29.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | -167.5 | 148.2 | 65.6 | -106.6 | -38.3 | 0 | 0 | 0 | 115.6 | |||||
| 461 | L | 30.8 | Very low | 30.8 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | 40.8 | 131.7 | 144.4 | -71.2 | 164 | 0 | 0 | 0 | 126.1 | ||||
| 462 | Q | 26.8 | Very low | 30.6 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 82.4 | 126.8 | 140.9 | -72.2 | 174.7 | 5.4 | 0 | 0 | 121.8 | ||||
| 463 | G | 26.5 | Very low | 30.3 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -176.4 | 28.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 464 | Q | 27.8 | Very low | 30.5 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 68 | 149.7 | 164.1 | -58.1 | -173.1 | -3.8 | 0 | 0 | 122.2 | ||||
| 465 | N | 28.6 | Very low | 30.6 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 66.9 | 144.1 | 158.5 | -55.5 | -28.5 | 0 | 0 | 0 | 119 | ||||
| 466 | G | 29.2 | Very low | 30.8 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -152.1 | 167 | 1.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 467 | K | 29.5 | Very low | 30.7 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -110 | 123.6 | -173.5 | 175.1 | -171.2 | 178.6 | -174.3 | 0 | 110 | ||||
| 468 | L | 30.2 | Very low | 30.8 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -137.2 | 122.6 | 173 | -95.7 | 169.8 | 0 | 0 | 0 | 112.2 | ||||
| 469 | N | 33.9 | Very low | 30.9 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -150.1 | 121.7 | 156.6 | -170 | 84.1 | 0 | 0 | 0 | 106 | ||||
| 470 | P | 42.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -128.8 | 155.8 | 156.6 | 35.6 | -23.3 | 0 | 0 | 0 | 112.5 | ||||
| 471 | N | 29.6 | Very low | 31 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | -70 | 167.8 | 170 | -65.8 | 14.3 | 0 | 0 | 0 | 111.5 | ||||
| 472 | G | 28.3 | Very low | 30.9 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 110.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 473 | D | 31.3 | Very low | 31 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | trans | -89.9 | 179.2 | -172.4 | -51.7 | -90.8 | 0 | 0 | 0 | 112.8 | ||||
| 474 | E | 34.6 | Very low | 31 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 89.3 | 138.1 | 160.2 | -62 | 162.1 | -174.1 | 0 | 0 | 117.3 | ||||
| 475 | D | 30.8 | Very low | 31 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | cis | -149.5 | 162.3 | 15.4 | -113.7 | -29.3 | 0 | 0 | 0 | 113.1 | ||||
| 476 | N | 31.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | trans | 23.5 | 147.4 | 145.1 | -46.3 | -40.3 | 0 | 0 | 0 | 121.4 | ||||
| 477 | D | 31.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | -142.2 | 168.4 | 52 | -86.2 | -32 | 0 | 0 | 0 | 115.5 | |||||
| 478 | D | 32.4 | Very low | 30.8 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 159.3 | -168.8 | -62.5 | -63.4 | 0 | 0 | 0 | 117.3 | ||||
| 479 | L | 32.4 | Very low | 30.7 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | 177.5 | 126.2 | 103.4 | -90.2 | 169.2 | 0 | 0 | 0 | 113.2 | |||||
| 480 | D | 31.9 | Very low | 30.3 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 22.3 | 136.9 | 148.5 | -54.3 | -26.2 | 0 | 0 | 0 | 120.2 | ||||
| 481 | G | 31.5 | Very low | 29.6 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | cis | 113.7 | 141.7 | 46.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 482 | E | 28.5 | Very low | 29.5 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | cis | -146.4 | 175.6 | 19 | -135.5 | -174.2 | 153.7 | 0 | 0 | 110.9 | ||||
| 483 | A | 28.8 | Very low | 29.6 | Very low | 101 Ų | 101 | 151.6 Ų | 151.6 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -106.5 | 150.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 484 | G | 27.3 | Very low | 29.4 | Very low | 84 Ų | 84 | 151.4 Ų | 151.4 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -145.9 | 84.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 485 | S | 26 | Very low | 29.1 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -81.5 | 156 | -167.8 | -166.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 486 | L | 27.1 | Very low | 29 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | 62.2 | 117.7 | 149.3 | -93 | 163.8 | 0 | 0 | 0 | 121.3 | ||||
| 487 | M | 28.6 | Very low | 28.8 | Very low | 182 Ų | 182 | 151.6 Ų | 151.6 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | -164.5 | 157.4 | 117.8 | -109.9 | -59.3 | 176.6 | 0 | 0 | 113.9 | |||||
| 488 | K | 28.5 | Very low | 28.7 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -93.2 | 129 | 179.1 | -78.5 | 172.6 | 173.5 | 168.1 | 0 | 112.1 | ||||
| 489 | G | 27 | Very low | 28.5 | Very low | 76 Ų | 76 | 151 Ų | 151 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | trans | -126.7 | 126.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 490 | K | 27 | Very low | 28.4 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 119.8 | -177.2 | -68.4 | 177.5 | 179.6 | 175.3 | 0 | 111.8 | K492 | K490-K492 PolarHBondContact O-N 3.2Š|
| 491 | R | 26.7 | Very low | 28.2 | Very low | 251 Ų | 251 | 146.3 Ų | 146.3 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124.5 | 166.2 | -129.8 | 174.7 | -175.2 | 168.1 | 0.7 | 109.2 | ||
| 492 | K | 29.1 | Very low | 28.4 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 149.2 | 170.9 | -73.8 | -176 | 177.4 | 178.1 | 0 | 110 | K490 | K490-K492 PolarHBondContact O-N 3.2Š|
| 493 | K | 28.4 | Very low | 28.5 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.8 | 165.6 | -78.9 | -175.5 | 170.4 | -176.5 | 0 | 110.3 | ||
| 494 | S | 28.7 | Very low | 28.8 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -118.4 | 160.9 | 147.6 | 51.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 495 | V | 28.4 | Very low | 29 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -92.7 | 159.6 | -170.9 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 496 | A | 28.6 | Very low | 29.5 | Very low | 88 Ų | 88 | 151 Ų | 151 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -69.5 | 151.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 497 | E | 26.4 | Very low | 29.7 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -137.1 | 139.2 | 155 | -130.6 | 165.7 | -151 | 0 | 0 | 107.7 | ||||
| 498 | S | 29.7 | Very low | 29.6 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -97.3 | 128.6 | -162.7 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 499 | I | 27.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -125.1 | 96.8 | 169.2 | -55.3 | -179.9 | 0 | 0 | 0 | 108.9 | S501 | I499-S501 PolarHBondContact O-N 2.95Š| ||
| 500 | S | 29.9 | Very low | 30.3 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 74% | 0.741 | 84% | 0.835 | S | S | * | * | trans | -82.5 | 97.7 | 171.2 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | V502 | S500-V502 VanDerWaalsContact C-N 3.35Å; S500-V502 PolarHBondContact O-N 3.42Å | ||
| 501 | S | 28.8 | Very low | 30.5 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 67% | 0.671 | 83% | 0.831 | S | S | * | * | trans | -76.2 | 82 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | I499 F503 | I499-S501 PolarHBondContact O-N 2.95Å; S501-F503 PolarHBondContact O-N 3.25Å | ||
| 502 | V | 35.8 | Very low | 30.7 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 74% | 0.739 | 83% | 0.825 | S | S | * | * | trans | -76.9 | 115 | 169.3 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | S500 S504 | S500-V502 VanDerWaalsContact C-N 3.35Å; S500-V502 PolarHBondContact O-N 3.42Å; V502-S504 PolarHBondContact O-N 3.45Å | ||
| 503 | F | 31.1 | Very low | 30.8 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 79% | 0.789 | 82% | 0.822 | S | S | * | * | trans | -72.1 | 113.4 | 169.2 | -82.6 | -95.5 | 0 | 0 | 0 | 109.4 | S501 D505 | S501-F503 PolarHBondContact O-N 3.25Å; F503-D505 PolarHBondContact O-N 3.26Å | ||
| 504 | S | 33.5 | Very low | 30.9 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | trans | -99.1 | 70.3 | -175.4 | 61.4 | 0 | 0 | 0 | 0 | 112 | V502 T506 | V502-S504 PolarHBondContact O-N 3.45Å; S504-T506 VanDerWaalsContact C-N 3.3Å; S504-T506 PolarHBondContact O-N 3.36Å | ||
| 505 | D | 32.1 | Very low | 31.1 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 79.2 | 173.8 | -73.2 | -32.3 | 0 | 0 | 0 | 111.3 | F503 P507 | F503-D505 PolarHBondContact O-N 3.26Å; D505-P507 WeakPolarHBondContact O-CD 3.44Å | ||
| 506 | T | 36.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | -91.8 | 111.4 | 165 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | S504 M508 | S504-T506 VanDerWaalsContact C-N 3.3Å; S504-T506 PolarHBondContact O-N 3.36Å; T506-M508 PolarHBondContact O-N 3.26Å | ||
| 507 | P | 31.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -68.6 | 115.8 | 176.6 | 27 | -32.9 | 0 | 0 | 0 | 110.3 | D505 V509 | D505-P507 WeakPolarHBondContact O-CD 3.44Å; P507-V509 PolarHBondContact O-N 3.13Å | ||
| 508 | M | 25.4 | Very low | 31.8 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -68 | 115.7 | 163.5 | -86.7 | -175.3 | 158.1 | 0 | 0 | 109 | T506 | T506-M508 PolarHBondContact O-N 3.26Š| ||
| 509 | V | 35.4 | Very low | 32 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 133.2 | 163.8 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | P507 | P507-V509 PolarHBondContact O-N 3.13Š| ||
| 510 | V | 36.1 | Very low | 32.4 | Very low | 207 Ų | 207 | 137.7 Ų | 137.7 | 100% | 1.255 | 81% | 0.809 | S | S | * | * | trans | -96.3 | 0 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 510 of 510 residues in 274.3 ms
(Link to these results)