| 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 | 39.1 | Very low | 35 | Very low | 241 Ų | 241 | 187.1 Ų | 187.1 | 100% | 1.187 | 90% | 0.902 | S | S | * | * | 0 | 105.4 | 0 | -84.8 | 178.7 | 168.9 | 0 | 0 | 108.2 | |||||
| 2 | V | 33.6 | Very low | 34.7 | Very low | 147 Ų | 147 | 177.3 Ų | 177.3 | 89% | 0.891 | 89% | 0.886 | S | S | * | * | trans | -118.4 | 114 | 174.9 | -168.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | R | 40.4 | Very low | 34.5 | Very low | 247 Ų | 247 | 175.8 Ų | 175.8 | 93% | 0.932 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 128.8 | -176.1 | -75.6 | 178.8 | 176 | -175.5 | -1.6 | 110 | ||
| 4 | C | 37 | Very low | 34.4 | Very low | 133 Ų | 133 | 174.9 Ų | 174.9 | 90% | 0.899 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 125.6 | 162.2 | -75.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 5 | W | 36.7 | Very low | 34.1 | Very low | 254 Ų | 254 | 172.7 Ų | 172.7 | 96% | 0.962 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -85 | 123 | 171.3 | -126.1 | -26.4 | 0 | 0 | 0 | 108.6 | ||
| 6 | K | 34.5 | Very low | 34 | Very low | 205 Ų | 205 | 168.4 Ų | 168.4 | 89% | 0.891 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -87 | 125.7 | 161.4 | -87.3 | -175.1 | 174.9 | -179.6 | 0 | 108.3 | ||
| 7 | R | 31.6 | Very low | 34.2 | Very low | 228 Ų | 228 | 169.8 Ų | 169.8 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 122.7 | 160.9 | -178.8 | 173.1 | -74.2 | -133.8 | -1.1 | 107.4 | ||
| 8 | L | 34.5 | Very low | 34 | Very low | 154 Ų | 154 | 173.9 Ų | 173.9 | 81% | 0.806 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 128.5 | 180 | -167.3 | 83.6 | 0 | 0 | 0 | 108.5 | ||
| 9 | E | 34.8 | Very low | 34.4 | Very low | 181 Ų | 181 | 174.6 Ų | 174.6 | 85% | 0.846 | 87% | 0.866 | S | S | * | * | trans | -131.8 | 128.2 | 159.9 | -90.2 | 174.8 | 177.2 | 0 | 0 | 109.4 | ||||
| 10 | T | 32.1 | Very low | 34.3 | Very low | 115 Ų | 115 | 173.7 Ų | 173.7 | 71% | 0.706 | 86% | 0.864 | S | S | * | * | trans | -98.4 | 127.3 | -175.4 | 37.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | T | 31 | Very low | 34.6 | Very low | 153 Ų | 153 | 173.8 Ų | 173.8 | 94% | 0.939 | 86% | 0.862 | S | S | * | * | trans | 179.7 | 135.7 | 153.5 | 2.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 12 | G | 30.8 | Very low | 34.3 | Very low | 69 Ų | 69 | 165.7 Ų | 165.7 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | cis | 151.3 | 124.8 | 10.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 13 | L | 31.9 | Very low | 34.8 | Very low | 158 Ų | 158 | 164.1 Ų | 164.1 | 83% | 0.827 | 83% | 0.833 | S | S | * | * | trans | 75 | 121.3 | 159.8 | -139.1 | 74.1 | 0 | 0 | 0 | 121.4 | ||||
| 14 | E | 33.3 | Very low | 34.8 | Very low | 163 Ų | 163 | 159.1 Ų | 159.1 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | 47.2 | 118.6 | 146.9 | -72.3 | 173.8 | 99.3 | 0 | 0 | 122.2 | ||||
| 15 | D | 30.2 | Very low | 34.9 | Very low | 143 Ų | 143 | 159 Ų | 159 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | 138.5 | 136.8 | 107.3 | -147.2 | -8.4 | 0 | 0 | 0 | 114.7 | |||||
| 16 | S | 32.3 | Very low | 35.3 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 64.1 | 130.9 | 154.7 | -79.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 17 | Q | 36.9 | Very low | 35.6 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -53 | 136.2 | 172.2 | -70.8 | 161.1 | -81.5 | 0 | 0 | 114.7 | ||||
| 18 | R | 31.1 | Very low | 36.5 | Very low | 245 Ų | 245 | 144.8 Ų | 144.8 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -167.5 | 153.2 | 130.6 | -110.8 | -178.1 | -166.4 | 113.8 | 0.4 | 112.3 | ||||
| 19 | M | 42.2 | Very low | 37.4 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -41.1 | 141.7 | 175.6 | -69 | 154.5 | 76.6 | 0 | 0 | 113.5 | ||||
| 20 | D | 31.4 | Very low | 38.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -157.2 | 142 | 144.2 | -145 | -2.9 | 0 | 0 | 0 | 113.8 | ||||
| 21 | E | 41.3 | Very low | 40 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 130.2 | 171.3 | -105.5 | 170.7 | 109.7 | 0 | 0 | 110.8 | P23 | E21-P23 WeakPolarHBondContact O-CD 3.1Š|
| 22 | G | 33.1 | Very low | 41.6 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T24 | G22-T24 PolarHBondContact O-N 2.64Š|
| 23 | P | 42.9 | Very low | 43.4 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 121.4 | 173.4 | 29 | -29.2 | 0 | 0 | 0 | 109.7 | E21 V25 | E21-P23 WeakPolarHBondContact O-CD 3.1Å; P23-V25 PolarHBondContact O-N 3.08Å |
| 24 | T | 41.4 | Very low | 45.3 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -62.6 | 102.3 | 163.1 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | G22 S26 | G22-T24 PolarHBondContact O-N 2.64Å; T24-S26 PolarHBondContact O-N 3.46Å; T24-S26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | V | 37.8 | Very low | 47.4 | Very low | 130 Ų | 130 | 141 Ų | 141 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | trans | -70 | 103.4 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | P23 | P23-V25 PolarHBondContact O-N 3.08Š| ||
| 26 | S | 45.3 | Very low | 49.9 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | -77.7 | 117.8 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | T24 Q28 | T24-S26 PolarHBondContact O-N 3.46Å; T24-S26 VanDerWaalsContact O-N 3.09Å; S26-Q28 PolarHBondContact O-N 3.06Å; S26-Q28 VanDerWaalsContact O-N 3.09Å | ||
| 27 | C | 42.4 | Very low | 52.2 | Low | 111 Ų | 111 | 138 Ų | 138 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | trans | -76.7 | 87.2 | 169.1 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | F29 | C27-F29 PolarHBondContact O-N 2.86Å; C27-F29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | Q | 50.7 | Low | 54.5 | Low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | trans | -73.1 | 96.8 | 165.5 | -94.3 | 174.2 | -24.4 | 0 | 0 | 109.6 | S26 | S26-Q28 PolarHBondContact O-N 3.06Å; S26-Q28 VanDerWaalsContact O-N 3.09Å | ||
| 29 | F | 51.8 | Low | 57.2 | Low | 184 Ų | 184 | 124.9 Ų | 124.9 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | trans | -59.6 | 127.6 | 162.9 | -94.2 | -93.3 | 0 | 0 | 0 | 108.7 | C27 H31 | C27-F29 PolarHBondContact O-N 2.86Å; C27-F29 VanDerWaalsContact O-N 3.09Å; F29-H31 VanDerWaalsContact C-N 3.26Å; F29-H31 PolarHBondContact O-N 3.26Å | ||
| 30 | P | 60.3 | Low | 59.4 | Low | 92 Ų | 92 | 118.2 Ų | 118.2 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | trans | -75 | 85.4 | -178.5 | 30.5 | -32.8 | 0 | 0 | 0 | 108.6 | K32 A33 | P30-K32 PolarHBondContact O-N 3.07Å; P30-A33 HydrophobicContact CB-CB 4.44Å; P30-A33 HydrophobicContact CG-CB 4.28Å; P30-A33 PolarHBondContact O-N 3.37Å | ||
| 31 | H | 62.7 | Low | 62.1 | Low | 125 Ų | 125 | 114.4 Ų | 114.4 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -46.1 | -35.3 | 175.1 | -173.8 | -106.5 | 0 | 0 | 0 | 111.4 | F29 A33 F34 W35 | F29-H31 VanDerWaalsContact C-N 3.26Å; F29-H31 PolarHBondContact O-N 3.26Å; H31-A33 PolarHBondContact O-N 3.01Å; H31-F34 WeakPolarHBondContact O-CB 3.29Å; H31-F34 PolarHBondContact O-N 3.35Å; H31-W35 AromaticContact CD2-CD1 3.98Å; H31-W35 AromaticContact CD2-NE1 3.69Å; H31-W35 AromaticContact CE1-CD1 3.36Å; H31-W35 AromaticContact CE1-CE2 3.76Å; H31-W35 AromaticContact CE1-NE1 2.83Å; H31-W35 PolarHBondContact CE1-NE1 3.46Å; H31-W35 AromaticContact CG-CD1 3.83Å; H31-W35 AromaticContact CG-NE1 3.92Å; H31-W35 AromaticContact ND1-CD1 3.41Å; H31-W35 AromaticContact ND1-NE1 3.42Å; H31-W35 PolarHBondContact ND1-NE1 3.02Å; H31-W35 AromaticContact NE2-CD1 3.68Å; H31-W35 AromaticContact NE2-NE1 2.97Å; H31-W35 PolarHBondContact NE2-NE1 2.92Å; H31-W35 VanDerWaalsContact O-CD1 3.22Å; H31-W35 PolarHBondContact O-N 3.13Å; H31-W35 VanDerWaalsContact O-N 3.1Å |
| 32 | K | 62.9 | Low | 64.6 | Low | 183 Ų | 183 | 111.1 Ų | 111.1 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58 | -39.7 | 176.2 | -66.3 | -175.1 | 176.5 | 179.8 | 0 | 114 | P30 W35 V36 | P30-K32 PolarHBondContact O-N 3.07Å; K32-W35 PolarHBondContact O-N 2.87Å; K32-V36 VanDerWaalsContact O-CG2 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.1Å; K32-V36 PolarHBondContact O-N 3.41Å |
| 33 | A | 69.3 | Low | 67.3 | Low | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.1 | -34.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P30 H31 T37 | P30-A33 HydrophobicContact CB-CB 4.44Å; P30-A33 HydrophobicContact CG-CB 4.28Å; P30-A33 PolarHBondContact O-N 3.37Å; H31-A33 PolarHBondContact O-N 3.01Å; A33-T37 PolarHBondContact O-N 2.66Å; A33-T37 VanDerWaalsContact O-N 3.11Å; A33-T37 PolarHBondContact O-OG1 2.96Å |
| 34 | F | 72.8 | Confident | 69.5 | Low | 127 Ų | 127 | 113.1 Ų | 113.1 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 175.3 | 179 | -101.2 | 0 | 0 | 0 | 112.1 | H31 T37 L38 | H31-F34 WeakPolarHBondContact O-CB 3.29Å; H31-F34 PolarHBondContact O-N 3.35Å; F34-T37 WeakPolarHBondContact CA-OG1 2.94Å; F34-T37 PolarHBondContact O-N 3.28Å; F34-T37 PolarHBondContact O-OG1 2.78Å; F34-T37 VanDerWaalsContact O-OG1 3.09Å; F34-L38 WeakPolarHBondContact O-CB 3.25Å; F34-L38 PolarHBondContact O-N 3.26Å |
| 35 | W | 75.6 | Confident | 71.7 | Confident | 145 Ų | 145 | 110.1 Ų | 110.1 | 55% | 0.549 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.2 | -36.5 | 178.4 | -81.9 | 81.7 | 0 | 0 | 0 | 113.2 | H31 K32 L38 S39 | H31-W35 AromaticContact CD2-CD1 3.98Å; H31-W35 AromaticContact CD2-NE1 3.69Å; H31-W35 AromaticContact CE1-CD1 3.36Å; H31-W35 AromaticContact CE1-CE2 3.76Å; H31-W35 AromaticContact CE1-NE1 2.83Å; H31-W35 PolarHBondContact CE1-NE1 3.46Å; H31-W35 AromaticContact CG-CD1 3.83Å; H31-W35 AromaticContact CG-NE1 3.92Å; H31-W35 AromaticContact ND1-CD1 3.41Å; H31-W35 AromaticContact ND1-NE1 3.42Å; H31-W35 PolarHBondContact ND1-NE1 3.02Å; H31-W35 AromaticContact NE2-CD1 3.68Å; H31-W35 AromaticContact NE2-NE1 2.97Å; H31-W35 PolarHBondContact NE2-NE1 2.92Å; H31-W35 VanDerWaalsContact O-CD1 3.22Å; H31-W35 PolarHBondContact O-N 3.13Å; H31-W35 VanDerWaalsContact O-N 3.1Å; K32-W35 PolarHBondContact O-N 2.87Å; W35-L38 PolarHBondContact O-N 2.77Å; W35-S39 PolarHBondContact O-N 2.83Å |
| 36 | V | 83 | Confident | 74 | Confident | 98 Ų | 98 | 108.9 Ų | 108.9 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | K32 S39 A40 | K32-V36 VanDerWaalsContact O-CG2 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.1Å; K32-V36 PolarHBondContact O-N 3.41Å; V36-S39 PolarHBondContact O-N 2.82Å; V36-S39 PolarHBondContact O-OG 3.33Å; V36-S39 VanDerWaalsContact O-OG 3.14Å; V36-A40 WeakPolarHBondContact O-CB 3.34Å; V36-A40 PolarHBondContact O-N 2.78Å |
| 37 | T | 81 | Confident | 75.9 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -37.4 | 175.2 | 29.3 | 0 | 0 | 0 | 0 | 111.9 | A33 F34 T41 | A33-T37 PolarHBondContact O-N 2.66Å; A33-T37 VanDerWaalsContact O-N 3.11Å; A33-T37 PolarHBondContact O-OG1 2.96Å; F34-T37 WeakPolarHBondContact CA-OG1 2.94Å; F34-T37 PolarHBondContact O-N 3.28Å; F34-T37 PolarHBondContact O-OG1 2.78Å; F34-T37 VanDerWaalsContact O-OG1 3.09Å; T37-T41 WeakPolarHBondContact O-CB 3.39Å; T37-T41 WeakPolarHBondContact O-CG2 3.39Å; T37-T41 PolarHBondContact O-N 3.13Å; T37-T41 PolarHBondContact O-OG1 2.97Å |
| 38 | L | 86.1 | Confident | 77.7 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -42.4 | 175.2 | -170.1 | 69.3 | 0 | 0 | 0 | 112 | F34 W35 T41 L42 | F34-L38 WeakPolarHBondContact O-CB 3.25Å; F34-L38 PolarHBondContact O-N 3.26Å; W35-L38 PolarHBondContact O-N 2.77Å; L38-T41 WeakPolarHBondContact CA-OG1 3.46Å; L38-T41 PolarHBondContact O-OG1 3.01Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 2.85Å |
| 39 | S | 86.9 | Confident | 79 | Confident | 72 Ų | 72 | 101.3 Ų | 101.3 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.9 | 79.4 | 0 | 0 | 0 | 0 | 112 | W35 V36 L42 L43 | W35-S39 PolarHBondContact O-N 2.83Å; V36-S39 PolarHBondContact O-N 2.82Å; V36-S39 PolarHBondContact O-OG 3.33Å; V36-S39 VanDerWaalsContact O-OG 3.14Å; S39-L42 PolarHBondContact O-N 2.66Å; S39-L43 WeakPolarHBondContact O-CB 3.31Å; S39-L43 PolarHBondContact O-N 2.65Å |
| 40 | A | 89.8 | Confident | 80 | Confident | 48 Ų | 48 | 94 Ų | 94 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V36 L43 L44 | V36-A40 WeakPolarHBondContact O-CB 3.34Å; V36-A40 PolarHBondContact O-N 2.78Å; A40-L43 PolarHBondContact O-N 2.76Å; A40-L44 WeakPolarHBondContact O-CG 3.38Å; A40-L44 PolarHBondContact O-N 2.88Å; A40-L44 VanDerWaalsContact O-N 3.13Å |
| 41 | T | 87.9 | Confident | 80.5 | Confident | 76 Ų | 76 | 93.6 Ų | 93.6 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | T37 L38 L43 L44 V45 | T37-T41 WeakPolarHBondContact O-CB 3.39Å; T37-T41 WeakPolarHBondContact O-CG2 3.39Å; T37-T41 PolarHBondContact O-N 3.13Å; T37-T41 PolarHBondContact O-OG1 2.97Å; L38-T41 WeakPolarHBondContact CA-OG1 3.46Å; L38-T41 PolarHBondContact O-OG1 3.01Å; T41-L43 VanDerWaalsContact C-N 3.34Å; T41-L43 PolarHBondContact O-N 2.89Å; T41-L44 PolarHBondContact O-N 2.93Å; T41-V45 WeakPolarHBondContact O-CG2 3.48Å; T41-V45 PolarHBondContact O-N 2.82Å |
| 42 | L | 92.4 | Very high | 80.4 | Confident | 106 Ų | 106 | 95 Ų | 95 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -42.9 | 175.7 | -173 | 68.4 | 0 | 0 | 0 | 111.9 | L38 S39 L44 V45 I46 | L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 2.85Å; S39-L42 PolarHBondContact O-N 2.66Å; L42-L44 PolarHBondContact O-N 2.85Å; L42-V45 PolarHBondContact O-N 2.9Å; L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 WeakPolarHBondContact O-CG1 3.48Å; L42-I46 PolarHBondContact O-N 2.87Å |
| 43 | L | 90.7 | Very high | 80.2 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 178.9 | -152.4 | 107.3 | 0 | 0 | 0 | 111.6 | S39 A40 T41 V45 I46 I47 | S39-L43 WeakPolarHBondContact O-CB 3.31Å; S39-L43 PolarHBondContact O-N 2.65Å; A40-L43 PolarHBondContact O-N 2.76Å; T41-L43 VanDerWaalsContact C-N 3.34Å; T41-L43 PolarHBondContact O-N 2.89Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 2.82Å; L43-I46 PolarHBondContact O-N 2.89Å; L43-I47 HydrophobicContact CD2-CD1 3.91Å; L43-I47 HydrophobicContact CG-CD1 4.44Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 2.8Å |
| 44 | L | 88.8 | Confident | 79.6 | Confident | 118 Ų | 118 | 93.2 Ų | 93.2 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 175.7 | -73.4 | 170.7 | 0 | 0 | 0 | 112.2 | A40 T41 L42 I47 A48 | A40-L44 WeakPolarHBondContact O-CG 3.38Å; A40-L44 PolarHBondContact O-N 2.88Å; A40-L44 VanDerWaalsContact O-N 3.13Å; T41-L44 PolarHBondContact O-N 2.93Å; L42-L44 PolarHBondContact O-N 2.85Å; L44-I47 PolarHBondContact O-N 3Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.22Å |
| 45 | V | 88.4 | Confident | 78.7 | Confident | 79 Ų | 79 | 94 Ų | 94 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | T41 L42 L43 A48 L49 | T41-V45 WeakPolarHBondContact O-CG2 3.48Å; T41-V45 PolarHBondContact O-N 2.82Å; L42-V45 PolarHBondContact O-N 2.9Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 2.82Å; V45-A48 PolarHBondContact O-N 2.74Å; V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.39Å; V45-L49 WeakPolarHBondContact O-CB 3.47Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 2.92Å |
| 46 | I | 86.1 | Confident | 77.4 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.4 | -66.4 | 166.9 | 0 | 0 | 0 | 110.8 | L42 L43 A48 L49 G50 | L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 WeakPolarHBondContact O-CG1 3.48Å; L42-I46 PolarHBondContact O-N 2.87Å; L43-I46 PolarHBondContact O-N 2.89Å; I46-A48 PolarHBondContact O-N 2.8Å; I46-L49 PolarHBondContact O-N 2.05Å; I46-G50 PolarHBondContact O-N 2.9Å |
| 47 | I | 83.6 | Confident | 76 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.3 | -66.2 | 165.5 | 0 | 0 | 0 | 110.3 | L43 L44 L49 G50 V51 | L43-I47 HydrophobicContact CD2-CD1 3.91Å; L43-I47 HydrophobicContact CG-CD1 4.44Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 2.8Å; L44-I47 PolarHBondContact O-N 3Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 2.82Å; I47-G50 PolarHBondContact O-N 3.27Å; I47-V51 HydrophobicContact CG2-CG2 4.28Å; I47-V51 WeakPolarHBondContact O-CB 3.37Å; I47-V51 VanDerWaalsContact O-CG2 3.24Å; I47-V51 WeakPolarHBondContact O-CG2 3.24Å; I47-V51 PolarHBondContact O-N 2.97Å |
| 48 | A | 80.3 | Confident | 74.8 | Confident | 39 Ų | 39 | 103.6 Ų | 103.6 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -34 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L44 V45 I46 R52 | L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.22Å; V45-A48 PolarHBondContact O-N 2.74Å; I46-A48 PolarHBondContact O-N 2.8Å; A48-R52 WeakPolarHBondContact O-CB 3.44Å; A48-R52 WeakPolarHBondContact O-CG 3.49Å; A48-R52 PolarHBondContact O-N 3.04Å; A48-R52 VanDerWaalsContact O-N 3.08Å; A48-R52 PolarHBondContact O-NE 2.74Å |
| 49 | L | 79.3 | Confident | 73.2 | Confident | 99 Ų | 99 | 108 Ų | 108 | 52% | 0.518 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.2 | -41.3 | 173.4 | -73.5 | 168 | 0 | 0 | 0 | 112 | V45 I46 I47 R52 G53 | V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.39Å; V45-L49 WeakPolarHBondContact O-CB 3.47Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 2.92Å; I46-L49 PolarHBondContact O-N 2.05Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 2.82Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-G53 PolarHBondContact O-N 2.74Å |
| 50 | G | 72.9 | Confident | 71.7 | Confident | 30 Ų | 30 | 109.4 Ų | 109.4 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I46 I47 R52 G53 H54 | I46-G50 PolarHBondContact O-N 2.9Å; I47-G50 PolarHBondContact O-N 3.27Å; G50-R52 VanDerWaalsContact C-N 3.34Å; G50-R52 PolarHBondContact O-N 2.69Å; G50-G53 PolarHBondContact O-N 2.79Å; G50-G53 VanDerWaalsContact O-N 3.14Å; G50-H54 PolarHBondContact O-CD2 2.04Å; G50-H54 PolarHBondContact O-N 2.93Å |
| 51 | V | 69.3 | Low | 70.6 | Confident | 84 Ų | 84 | 111.1 Ų | 111.1 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -41.1 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 111 | I47 H54 L55 | I47-V51 HydrophobicContact CG2-CG2 4.28Å; I47-V51 WeakPolarHBondContact O-CB 3.37Å; I47-V51 VanDerWaalsContact O-CG2 3.24Å; I47-V51 WeakPolarHBondContact O-CG2 3.24Å; I47-V51 PolarHBondContact O-N 2.97Å; V51-H54 PolarHBondContact O-N 3.43Å; V51-L55 VanDerWaalsContact O-CB 3.32Å; V51-L55 WeakPolarHBondContact O-CB 3.44Å; V51-L55 PolarHBondContact O-N 3.47Å |
| 52 | R | 61.4 | Low | 70.1 | Confident | 155 Ų | 155 | 109.7 Ų | 109.7 | 59% | 0.585 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 172.9 | -83.1 | -177.8 | -73 | -120.3 | -0.3 | 113.3 | A48 L49 G50 W56 | A48-R52 WeakPolarHBondContact O-CB 3.44Å; A48-R52 WeakPolarHBondContact O-CG 3.49Å; A48-R52 PolarHBondContact O-N 3.04Å; A48-R52 VanDerWaalsContact O-N 3.08Å; A48-R52 PolarHBondContact O-NE 2.74Å; L49-R52 PolarHBondContact O-N 3.23Å; G50-R52 VanDerWaalsContact C-N 3.34Å; G50-R52 PolarHBondContact O-N 2.69Å; R52-W56 PolarHBondContact O-N 2.69Å |
| 53 | G | 59 | Low | 69.6 | Low | 48 Ų | 48 | 107.3 Ų | 107.3 | 50% | 0.495 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.9 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L49 G50 | L49-G53 PolarHBondContact O-N 2.74Å; G50-G53 PolarHBondContact O-N 2.79Å; G50-G53 VanDerWaalsContact O-N 3.14Å |
| 54 | H | 57 | Low | 69 | Low | 154 Ų | 154 | 106.5 Ų | 106.5 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -80.6 | -25.7 | 176.2 | -66.5 | -59.7 | 0 | 0 | 0 | 113.5 | G50 V51 W56 | G50-H54 PolarHBondContact O-CD2 2.04Å; G50-H54 PolarHBondContact O-N 2.93Å; V51-H54 PolarHBondContact O-N 3.43Å; H54-W56 VanDerWaalsContact C-N 3.27Å |
| 55 | L | 53.1 | Low | 68.4 | Low | 144 Ų | 144 | 101 Ų | 101 | 75% | 0.754 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -79.8 | -8.4 | 174.2 | -136.8 | 81.7 | 0 | 0 | 0 | 113.1 | V51 V57 | V51-L55 VanDerWaalsContact O-CB 3.32Å; V51-L55 WeakPolarHBondContact O-CB 3.44Å; V51-L55 PolarHBondContact O-N 3.47Å; L55-V57 PolarHBondContact O-N 3.12Å |
| 56 | W | 48.2 | Very low | 68 | Low | 225 Ų | 225 | 104.7 Ų | 104.7 | 85% | 0.852 | 53% | 0.534 | S | S | * | . | trans | -80.7 | 55.8 | 164.9 | -128.9 | -25.2 | 0 | 0 | 0 | 109.5 | R52 H54 R58 | R52-W56 PolarHBondContact O-N 2.69Å; H54-W56 VanDerWaalsContact C-N 3.27Å; W56-R58 PolarHBondContact O-N 3.29Å | ||
| 57 | V | 53.6 | Low | 67.3 | Low | 106 Ų | 106 | 99.9 Ų | 99.9 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | trans | -55.5 | 115.1 | 164.8 | 174.1 | 0 | 0 | 0 | 0 | 105.8 | L55 Q59 | L55-V57 PolarHBondContact O-N 3.12Å; V57-Q59 PolarHBondContact O-N 3.21Å | ||
| 58 | R | 55.5 | Low | 66.6 | Low | 200 Ų | 200 | 97.5 Ų | 97.5 | 76% | 0.755 | 50% | 0.499 | S | S | * | . | trans | -49.6 | 109.5 | 170.3 | -83.6 | -178.5 | 174 | 177.5 | 0.2 | 106.9 | W56 P60 H86 | W56-R58 PolarHBondContact O-N 3.29Å; R58-P60 WeakPolarHBondContact O-CD 3.11Å; R58-H86 PolarHBondContact NH1-NE2 3.02Å | ||
| 59 | Q | 52.8 | Low | 66.1 | Low | 180 Ų | 180 | 95.8 Ų | 95.8 | 84% | 0.841 | 49% | 0.485 | S | S | * | . | trans | -63 | 126.3 | 171.9 | -84.2 | 165.9 | -71.2 | 0 | 0 | 107.6 | V57 D61 | V57-Q59 PolarHBondContact O-N 3.21Å; Q59-D61 PolarHBondContact O-N 3.48Å; Q59-D61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | P | 56.2 | Low | 65.5 | Low | 101 Ų | 101 | 92.8 Ų | 92.8 | 66% | 0.656 | 47% | 0.472 | S | S | * | . | trans | -64 | 115.6 | 170 | 23.5 | -28.1 | 0 | 0 | 0 | 107.5 | R58 A62 | R58-P60 WeakPolarHBondContact O-CD 3.11Å; P60-A62 PolarHBondContact O-N 3.31Å | ||
| 61 | D | 66.6 | Low | 65.3 | Low | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | trans | -77.6 | 56 | 173.1 | -165.2 | 9.6 | 0 | 0 | 0 | 109.3 | Q59 Q63 | Q59-D61 PolarHBondContact O-N 3.48Å; Q59-D61 VanDerWaalsContact O-N 3.13Å; D61-Q63 PolarHBondContact OD1-NE2 3.37Å | ||
| 62 | A | 76.1 | Confident | 65 | Low | 47 Ų | 47 | 95.2 Ų | 95.2 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P60 L82 V83 | P60-A62 PolarHBondContact O-N 3.31Å; A62-L82 HydrophobicContact CB-CD1 4.22Å; A62-V83 CarbonylContact C-O 3.57Å; A62-V83 WeakPolarHBondContact CA-O 3.03Å |
| 63 | Q | 82.1 | Confident | 65.1 | Low | 55 Ų | 55 | 93 Ų | 93 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.5 | -175.8 | -61.3 | 179 | 13.7 | 0 | 0 | 109.1 | D61 V83 | D61-Q63 PolarHBondContact OD1-NE2 3.37Å; Q63-V83 PolarHBondContact N-O 3.37Å; Q63-V83 PolarHBondContact O-N 3.37Å |
| 64 | V | 79.2 | Confident | 65.5 | Low | 92 Ų | 92 | 93.3 Ų | 93.3 | 56% | 0.558 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.8 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | A81 L82 | V64-A81 WeakPolarHBondContact CA-O 3.49Å; V64-L82 HydrophobicContact CG2-CD1 3.55Å |
| 65 | V | 76.8 | Confident | 66.3 | Low | 4 Ų | 4 | 89.1 Ų | 89.1 | 2% | 0.024 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.6 | 172.4 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | I67 S80 A81 M144 | V65-I67 HydrophobicContact CG1-CG1 4.08Å; V65-S80 CarbonylContact O-C 3.53Å; V65-S80 VanDerWaalsContact O-CA 3.31Å; V65-S80 WeakPolarHBondContact O-CA 3.08Å; V65-A81 HydrophobicContact CB-CB 4.4Å; V65-A81 PolarHBondContact N-O 2.94Å; V65-A81 PolarHBondContact O-N 3.29Å; V65-M144 HydrophobicContact CG1-CB 4.48Å; V65-M144 HydrophobicContact CG2-CB 3.6Å; V65-M144 HydrophobicContact CG2-CG 4.26Å |
| 66 | R | 78.4 | Confident | 67.2 | Low | 156 Ų | 156 | 87.6 Ų | 87.6 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136.8 | 171.7 | -68.2 | -179.5 | -179 | 141.7 | 1.9 | 109.1 | E147 V148 | R66-E147 HydrophobicContact CB-CG 4Å; R66-E147 WeakPolarHBondContact O-CA 3.08Å; R66-V148 PolarHBondContact O-N 2.92Å |
| 67 | I | 72.4 | Confident | 68.5 | Low | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 124.5 | -177.9 | -49.6 | 178.9 | 0 | 0 | 0 | 106.9 | V65 V69 Q79 Y92 L150 P211 | V65-I67 HydrophobicContact CG1-CG1 4.08Å; I67-V69 HydrophobicContact CG2-CG2 3.41Å; I67-V69 VanDerWaalsContact CG2-CG2 3.41Å; I67-Q79 CarbonylContact C-O 3.58Å; I67-Q79 HydrophobicContact CB-CB 4.39Å; I67-Q79 PolarHBondContact N-O 2.84Å; I67-Q79 CarbonylContact O-C 3.47Å; I67-Q79 WeakPolarHBondContact O-CA 3.13Å; I67-Q79 PolarHBondContact O-N 2.85Å; I67-Y92 HydrophobicContact CD1-CE1 4.34Å; I67-L150 HydrophobicContact CG2-CD1 3.34Å; I67-P211 HydrophobicContact CD1-CG 3.85Å |
| 68 | T | 69 | Low | 69.9 | Low | 43 Ų | 43 | 80 Ų | 80 | 26% | 0.264 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.8 | 171.8 | -50.2 | 0 | 0 | 0 | 0 | 107.5 | L76 | T68-L76 HydrophobicContact CG2-CB 3.88Å; T68-L76 HydrophobicContact CG2-CD1 4.27Å; T68-L76 HydrophobicContact CG2-CD2 4.08Å; T68-L76 HydrophobicContact CG2-CG 4.29Å |
| 69 | V | 69.1 | Low | 71.4 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.1 | -175.3 | -166.7 | 0 | 0 | 0 | 0 | 109.6 | I67 I77 L150 C209 | I67-V69 HydrophobicContact CG2-CG2 3.41Å; I67-V69 VanDerWaalsContact CG2-CG2 3.41Å; V69-I77 PolarHBondContact N-O 3.45Å; V69-I77 VanDerWaalsContact N-O 3.12Å; V69-I77 PolarHBondContact O-N 2.86Å; V69-L150 HydrophobicContact CG1-CB 4.19Å; V69-L150 HydrophobicContact CG1-CD2 4.31Å; V69-L150 HydrophobicContact CG2-CB 4.22Å; V69-L150 HydrophobicContact CG2-CD1 3.93Å; V69-L150 HydrophobicContact CG2-CD2 4.13Å; V69-L150 HydrophobicContact CG2-CG 4.33Å; V69-C209 HydrophobicContact CB-CB 4.34Å; V69-C209 HydrophobicContact CG1-CB 4.28Å; V69-C209 HydrophobicContact CG2-CB 3.75Å |
| 70 | P | 66.5 | Low | 73.1 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 24% | 0.24 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 143.7 | 170.2 | 26.3 | -33.3 | 0 | 0 | 0 | 110.8 | T75 L76 R156 | P70-T75 CarbonylContact C-O 3.39Å; P70-T75 WeakPolarHBondContact CA-O 3.14Å; P70-L76 HydrophobicContact CB-CD2 4.3Å; P70-R156 PolarHBondContact O-NH2 2.78Å |
| 71 | D | 68.4 | Low | 74.7 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | trans | -80.7 | -173.6 | 170 | 73.4 | 5.2 | 0 | 0 | 0 | 111.7 | T73 G74 T75 I77 | D71-T73 VanDerWaalsContact CG-OG1 3.27Å; D71-T73 PolarHBondContact O-N 2.86Å; D71-T73 VanDerWaalsContact OD1-CA 3.25Å; D71-T73 WeakPolarHBondContact OD1-CA 3.35Å; D71-T73 WeakPolarHBondContact OD1-CB 3.36Å; D71-T73 PolarHBondContact OD1-N 2.74Å; D71-T73 PolarHBondContact OD1-OG1 2.89Å; D71-T73 PolarHBondContact OD2-OG1 2.83Å; D71-G74 PolarHBondContact O-N 2.79Å; D71-G74 VanDerWaalsContact O-N 3.08Å; D71-G74 PolarHBondContact OD1-N 3.1Å; D71-T75 PolarHBondContact N-O 3.43Å; D71-T75 PolarHBondContact OD1-N 2.83Å; D71-I77 HydrophobicContact CB-CD1 3.42Å; D71-I77 VanDerWaalsContact CB-CD1 3.42Å; D71-I77 HydrophobicContact CB-CG1 3.84Å | ||
| 72 | L | 63 | Low | 75.8 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 72% | 0.723 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.8 | 177.2 | -69.7 | 171.4 | 0 | 0 | 0 | 113.7 | ||
| 73 | T | 65 | Low | 76.4 | Confident | 110 Ų | 110 | 56.6 Ų | 56.6 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -2.2 | 178.2 | 70.8 | 0 | 0 | 0 | 0 | 113 | D71 T75 | D71-T73 VanDerWaalsContact CG-OG1 3.27Å; D71-T73 PolarHBondContact O-N 2.86Å; D71-T73 VanDerWaalsContact OD1-CA 3.25Å; D71-T73 WeakPolarHBondContact OD1-CA 3.35Å; D71-T73 WeakPolarHBondContact OD1-CB 3.36Å; D71-T73 PolarHBondContact OD1-N 2.74Å; D71-T73 PolarHBondContact OD1-OG1 2.89Å; D71-T73 PolarHBondContact OD2-OG1 2.83Å; T73-T75 VanDerWaalsContact C-N 3.33Å; T73-T75 PolarHBondContact OG1-OG1 3.02Å |
| 74 | G | 66.8 | Low | 76.8 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 83.8 | 4.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D71 | D71-G74 PolarHBondContact O-N 2.79Å; D71-G74 VanDerWaalsContact O-N 3.08Å; D71-G74 PolarHBondContact OD1-N 3.1Å |
| 75 | T | 73.3 | Confident | 77.3 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | trans | -79.2 | 130.5 | 177.2 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | P70 D71 T73 I77 P97 | P70-T75 CarbonylContact C-O 3.39Å; P70-T75 WeakPolarHBondContact CA-O 3.14Å; D71-T75 PolarHBondContact N-O 3.43Å; D71-T75 PolarHBondContact OD1-N 2.83Å; T73-T75 VanDerWaalsContact C-N 3.33Å; T73-T75 PolarHBondContact OG1-OG1 3.02Å; T75-I77 PolarHBondContact O-N 3.48Å; T75-P97 HydrophobicContact CG2-CB 4.42Å; T75-P97 HydrophobicContact CG2-CG 3.9Å | ||
| 76 | L | 73.1 | Confident | 77.8 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 116 | -179.2 | -65.2 | 173.3 | 0 | 0 | 0 | 111.6 | T68 P70 | T68-L76 HydrophobicContact CG2-CB 3.88Å; T68-L76 HydrophobicContact CG2-CD1 4.27Å; T68-L76 HydrophobicContact CG2-CD2 4.08Å; T68-L76 HydrophobicContact CG2-CG 4.29Å; P70-L76 HydrophobicContact CB-CD2 4.3Å |
| 77 | I | 75.4 | Confident | 78.4 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.5 | 168.5 | -68.2 | 174.1 | 0 | 0 | 0 | 108.9 | V69 D71 T75 V94 | V69-I77 PolarHBondContact N-O 3.45Å; V69-I77 VanDerWaalsContact N-O 3.12Å; V69-I77 PolarHBondContact O-N 2.86Å; D71-I77 HydrophobicContact CB-CD1 3.42Å; D71-I77 VanDerWaalsContact CB-CD1 3.42Å; D71-I77 HydrophobicContact CB-CG1 3.84Å; T75-I77 PolarHBondContact O-N 3.48Å; I77-V94 HydrophobicContact CG2-CG1 3.66Å |
| 78 | K | 82.9 | Confident | 79.3 | Confident | 154 Ų | 154 | 57.6 Ų | 57.6 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.9 | 171.7 | -69.1 | -178.2 | -178.7 | 176.8 | 0 | 109 | T95 | K78-T95 PolarHBondContact O-N 3.27Å |
| 79 | Q | 87.1 | Confident | 80.5 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.5 | 176.5 | 179.4 | 177.6 | -25.4 | 0 | 0 | 109.7 | I67 Y92 S93 V94 C209 | I67-Q79 CarbonylContact C-O 3.58Å; I67-Q79 HydrophobicContact CB-CB 4.39Å; I67-Q79 PolarHBondContact N-O 2.84Å; I67-Q79 CarbonylContact O-C 3.47Å; I67-Q79 WeakPolarHBondContact O-CA 3.13Å; I67-Q79 PolarHBondContact O-N 2.85Å; Q79-Y92 HydrophobicContact CG-CD1 4.05Å; Q79-S93 CarbonylContact C-O 3.46Å; Q79-S93 VanDerWaalsContact CA-O 3.31Å; Q79-S93 WeakPolarHBondContact CA-O 3.48Å; Q79-V94 HydrophobicContact CG-CG2 3.94Å; Q79-C209 PolarHBondContact NE2-O 2.61Å |
| 80 | S | 87.9 | Confident | 81.7 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141 | 170.1 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | V65 Y92 S93 | V65-S80 CarbonylContact O-C 3.53Å; V65-S80 VanDerWaalsContact O-CA 3.31Å; V65-S80 WeakPolarHBondContact O-CA 3.08Å; S80-Y92 CarbonylContact O-C 3.58Å; S80-Y92 WeakPolarHBondContact O-CA 3.38Å; S80-S93 PolarHBondContact N-O 3.45Å; S80-S93 PolarHBondContact O-N 3.29Å |
| 81 | A | 88.9 | Confident | 83 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V64 V65 T91 Y92 | V64-A81 WeakPolarHBondContact CA-O 3.49Å; V65-A81 HydrophobicContact CB-CB 4.4Å; V65-A81 PolarHBondContact N-O 2.94Å; V65-A81 PolarHBondContact O-N 3.29Å; A81-T91 CarbonylContact C-O 3.58Å; A81-T91 WeakPolarHBondContact CA-O 3.43Å; A81-Y92 HydrophobicContact CB-CD1 3.77Å; A81-Y92 HydrophobicContact CB-CE1 3.47Å; A81-Y92 VanDerWaalsContact CB-CE1 3.47Å |
| 82 | L | 89.9 | Confident | 84.1 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.6 | 164.8 | 174.9 | 69.5 | 0 | 0 | 0 | 107.6 | A62 V64 V90 T91 | A62-L82 HydrophobicContact CB-CD1 4.22Å; V64-L82 HydrophobicContact CG2-CD1 3.55Å; L82-V90 CarbonylContact O-C 3.54Å; L82-V90 WeakPolarHBondContact O-CA 3.49Å; L82-T91 PolarHBondContact N-O 3Å; L82-T91 PolarHBondContact O-N 3.33Å |
| 83 | V | 89.6 | Confident | 85.5 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 110 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | A62 Q63 K85 V90 L139 L140 | A62-V83 CarbonylContact C-O 3.57Å; A62-V83 WeakPolarHBondContact CA-O 3.03Å; Q63-V83 PolarHBondContact N-O 3.37Å; Q63-V83 PolarHBondContact O-N 3.37Å; V83-K85 HydrophobicContact CG1-CG 4.01Å; V83-V90 HydrophobicContact CG1-CG2 4.45Å; V83-V90 HydrophobicContact CG2-CG1 4.5Å; V83-L139 HydrophobicContact CG2-CB 4.45Å; V83-L140 HydrophobicContact CG1-CD2 3.93Å |
| 84 | D | 90.6 | Very high | 86.7 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 96.7 | 171.7 | -179.4 | -10.5 | 0 | 0 | 0 | 108.6 | H86 N87 D88 L89 | D84-H86 PolarHBondContact O-N 2.8Å; D84-H86 PolarHBondContact OD1-N 2.87Å; D84-N87 PolarHBondContact O-N 2.95Å; D84-N87 PolarHBondContact OD1-N 3.44Å; D84-N87 PolarHBondContact OD1-ND2 2.95Å; D84-N87 PolarHBondContact OD2-ND2 3.17Å; D84-D88 PolarHBondContact O-N 3.39Å; D84-D88 VanDerWaalsContact O-N 3.13Å; D84-L89 HydrophobicContact CB-CB 4.22Å; D84-L89 PolarHBondContact N-O 3.1Å; D84-L89 PolarHBondContact O-N 2.92Å |
| 85 | K | 88.3 | Confident | 87.6 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.7 | -177.4 | -62.7 | -172.6 | 178.8 | -155.2 | 0 | 112.9 | V83 L140 Q142 | V83-K85 HydrophobicContact CG1-CG 4.01Å; K85-L140 WeakPolarHBondContact CD-O 3.21Å; K85-L140 VanDerWaalsContact CE-O 3.22Å; K85-L140 WeakPolarHBondContact CE-O 3.33Å; K85-L140 PolarHBondContact NZ-O 3.34Å; K85-L140 VanDerWaalsContact NZ-O 3.1Å; K85-Q142 PolarHBondContact NZ-O 2.97Å |
| 86 | H | 87.6 | Confident | 87.9 | Confident | 112 Ų | 112 | 42.1 Ų | 42.1 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -34.3 | -177.1 | -170.8 | 55.4 | 0 | 0 | 0 | 111.8 | R58 D84 | R58-H86 PolarHBondContact NH1-NE2 3.02Å; D84-H86 PolarHBondContact O-N 2.8Å; D84-H86 PolarHBondContact OD1-N 2.87Å |
| 87 | N | 90.9 | Very high | 87.9 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 3.5 | -177.4 | -63.2 | -61.4 | 0 | 0 | 0 | 113.1 | D84 L89 | D84-N87 PolarHBondContact O-N 2.95Å; D84-N87 PolarHBondContact OD1-N 3.44Å; D84-N87 PolarHBondContact OD1-ND2 2.95Å; D84-N87 PolarHBondContact OD2-ND2 3.17Å; N87-L89 VanDerWaalsContact C-N 3.29Å; N87-L89 HydrophobicContact CB-CD1 3.71Å; N87-L89 HydrophobicContact CB-CG 3.79Å; N87-L89 WeakPolarHBondContact O-CG 3.5Å; N87-L89 PolarHBondContact O-N 3.02Å |
| 88 | D | 92.8 | Very high | 88.1 | Confident | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 44.1 | -175.3 | -60.3 | -61.1 | 0 | 0 | 0 | 112.6 | D84 V108 K109 L140 | D84-D88 PolarHBondContact O-N 3.39Å; D84-D88 VanDerWaalsContact O-N 3.13Å; D88-V108 HydrophobicContact CB-CB 4.18Å; D88-V108 VanDerWaalsContact O-CB 3.31Å; D88-V108 WeakPolarHBondContact O-CB 3.43Å; D88-V108 WeakPolarHBondContact O-CG2 2.95Å; D88-V108 PolarHBondContact O-N 3.09Å; D88-K109 HydrophobicContact CB-CB 4.21Å; D88-L140 HydrophobicContact CB-CD1 4.5Å |
| 89 | L | 93.8 | Very high | 88 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139 | -178.1 | -55.3 | 172.1 | 0 | 0 | 0 | 111.4 | D84 N87 L105 F106 D107 P177 | D84-L89 HydrophobicContact CB-CB 4.22Å; D84-L89 PolarHBondContact N-O 3.1Å; D84-L89 PolarHBondContact O-N 2.92Å; N87-L89 VanDerWaalsContact C-N 3.29Å; N87-L89 HydrophobicContact CB-CD1 3.71Å; N87-L89 HydrophobicContact CB-CG 3.79Å; N87-L89 WeakPolarHBondContact O-CG 3.5Å; N87-L89 PolarHBondContact O-N 3.02Å; L89-L105 HydrophobicContact CB-CD1 4.47Å; L89-F106 WeakPolarHBondContact CA-O 3.34Å; L89-D107 HydrophobicContact CD2-CB 3.92Å; L89-P177 HydrophobicContact CD1-CG 3.46Å; L89-P177 VanDerWaalsContact CD1-CG 3.46Å; L89-P177 HydrophobicContact CD2-CG 4.39Å |
| 90 | V | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.6 | 170.6 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | L82 V83 Y92 F106 M136 L139 L140 | L82-V90 CarbonylContact O-C 3.54Å; L82-V90 WeakPolarHBondContact O-CA 3.49Å; V83-V90 HydrophobicContact CG1-CG2 4.45Å; V83-V90 HydrophobicContact CG2-CG1 4.5Å; V90-Y92 HydrophobicContact CG1-CD2 4Å; V90-Y92 HydrophobicContact CG1-CE2 3.59Å; V90-F106 HydrophobicContact CB-CB 4.28Å; V90-F106 PolarHBondContact N-O 2.81Å; V90-F106 PolarHBondContact O-N 3.01Å; V90-M136 HydrophobicContact CB-SD 3.66Å; V90-M136 HydrophobicContact CG1-SD 3.91Å; V90-M136 HydrophobicContact CG2-SD 3.82Å; V90-L139 HydrophobicContact CG1-CD1 3.96Å; V90-L140 HydrophobicContact CG2-CD2 4.11Å; V90-L140 HydrophobicContact CG2-CG 4.23Å |
| 91 | T | 94.3 | Very high | 87.9 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114 | 178.4 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | A81 L82 T103 V104 L105 | A81-T91 CarbonylContact C-O 3.58Å; A81-T91 WeakPolarHBondContact CA-O 3.43Å; L82-T91 PolarHBondContact N-O 3Å; L82-T91 PolarHBondContact O-N 3.33Å; T91-T103 HydrophobicContact CG2-CG2 3.64Å; T91-V104 CarbonylContact C-O 3.59Å; T91-V104 WeakPolarHBondContact CA-O 3.46Å; T91-L105 WeakPolarHBondContact OG1-CD1 3.37Å |
| 92 | Y | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.9 | 169.5 | -75.8 | -78.8 | 0 | 0 | 0 | 111.2 | I67 Q79 S80 A81 V90 T103 V104 F106 M136 L139 I208 F210 | I67-Y92 HydrophobicContact CD1-CE1 4.34Å; Q79-Y92 HydrophobicContact CG-CD1 4.05Å; S80-Y92 CarbonylContact O-C 3.58Å; S80-Y92 WeakPolarHBondContact O-CA 3.38Å; A81-Y92 HydrophobicContact CB-CD1 3.77Å; A81-Y92 HydrophobicContact CB-CE1 3.47Å; A81-Y92 VanDerWaalsContact CB-CE1 3.47Å; V90-Y92 HydrophobicContact CG1-CD2 4Å; V90-Y92 HydrophobicContact CG1-CE2 3.59Å; Y92-T103 CarbonylContact O-C 3.55Å; Y92-T103 VanDerWaalsContact O-CA 3.3Å; Y92-T103 WeakPolarHBondContact O-CA 3.28Å; Y92-V104 PolarHBondContact N-O 3.05Å; Y92-V104 PolarHBondContact O-N 2.86Å; Y92-F106 HydrophobicContact CD2-CD2 4.03Å; Y92-F106 AromaticContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CE2-CD2 4.37Å; Y92-F106 HydrophobicContact CE2-CE2 4.1Å; Y92-M136 HydrophobicContact CE2-CE 4.05Å; Y92-L139 HydrophobicContact CE2-CD1 4.21Å; Y92-L139 WeakPolarHBondContact OH-CD1 3.45Å; Y92-I208 HydrophobicContact CD1-CG2 4.33Å; Y92-I208 HydrophobicContact CD2-CG2 4.15Å; Y92-I208 HydrophobicContact CE2-CG2 4.41Å; Y92-I208 HydrophobicContact CG-CG2 4.07Å; Y92-F210 HydrophobicContact CE2-CD1 4.13Å; Y92-F210 AromaticContact CE2-CE1 3.88Å; Y92-F210 HydrophobicContact CE2-CE1 3.88Å; Y92-F210 AromaticContact CZ-CD1 3.92Å; Y92-F210 VanDerWaalsContact OH-CD1 3.31Å; Y92-F210 WeakPolarHBondContact OH-CD1 3.42Å |
| 93 | S | 92.4 | Very high | 88.2 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.9 | 166.8 | -62.2 | 0 | 0 | 0 | 0 | 108 | Q79 S80 Y102 | Q79-S93 CarbonylContact C-O 3.46Å; Q79-S93 VanDerWaalsContact CA-O 3.31Å; Q79-S93 WeakPolarHBondContact CA-O 3.48Å; S80-S93 PolarHBondContact N-O 3.45Å; S80-S93 PolarHBondContact O-N 3.29Å; S93-Y102 WeakPolarHBondContact CA-O 3.11Å |
| 94 | V | 88.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.7 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | I77 Q79 T101 Y102 D207 | I77-V94 HydrophobicContact CG2-CG1 3.66Å; Q79-V94 HydrophobicContact CG-CG2 3.94Å; V94-T101 CarbonylContact O-C 3.48Å; V94-T101 VanDerWaalsContact O-CA 3.3Å; V94-T101 WeakPolarHBondContact O-CA 3.48Å; V94-Y102 PolarHBondContact N-O 2.77Å; V94-Y102 PolarHBondContact O-N 2.98Å; V94-D207 WeakPolarHBondContact CG1-O 3.43Å |
| 95 | T | 86.9 | Confident | 88.8 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.7 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | K78 H100 T101 | K78-T95 PolarHBondContact O-N 3.27Å; T95-H100 WeakPolarHBondContact CA-O 3.13Å; T95-T101 PolarHBondContact OG1-OG1 3.38Å |
| 96 | S | 78.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 42 Ų | 42 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | trans | -65.7 | 161.4 | 173.1 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | A98 N99 H100 | S96-A98 PolarHBondContact O-N 3.23Å; S96-A98 VanDerWaalsContact O-N 3.15Å; S96-N99 WeakPolarHBondContact O-CA 3.35Å; S96-N99 PolarHBondContact O-N 3.38Å; S96-H100 PolarHBondContact N-O 3.13Å; S96-H100 WeakPolarHBondContact OG-CA 3.18Å; S96-H100 WeakPolarHBondContact OG-CB 3.46Å; S96-H100 PolarHBondContact OG-N 3.41Å; S96-H100 VanDerWaalsContact OG-N 3.12Å; S96-H100 PolarHBondContact OG-O 2.94Å | ||
| 97 | P | 74.8 | Confident | 89.6 | Confident | 81 Ų | 81 | 36.7 Ų | 36.7 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.8 | 175.5 | -25.8 | 35.4 | 0 | 0 | 0 | 114.2 | T75 N99 | T75-P97 HydrophobicContact CG2-CB 4.42Å; T75-P97 HydrophobicContact CG2-CG 3.9Å; P97-N99 PolarHBondContact O-N 3.06Å |
| 98 | A | 78.9 | Confident | 89.8 | Confident | 67 Ų | 67 | 34.4 Ų | 34.4 | 55% | 0.554 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 10.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S96 H100 | S96-A98 PolarHBondContact O-N 3.23Å; S96-A98 VanDerWaalsContact O-N 3.15Å; A98-H100 PolarHBondContact O-N 3.08Å |
| 99 | N | 81.4 | Confident | 89.8 | Confident | 126 Ų | 126 | 37.9 Ų | 37.9 | 67% | 0.674 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 61 | 21 | -175.9 | -64 | -41.4 | 0 | 0 | 0 | 115 | S96 P97 | S96-N99 WeakPolarHBondContact O-CA 3.35Å; S96-N99 PolarHBondContact O-N 3.38Å; P97-N99 PolarHBondContact O-N 3.06Å |
| 100 | H | 83.6 | Confident | 89.9 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | trans | -83.4 | 129.6 | 166 | -60.3 | 142 | 0 | 0 | 0 | 110.2 | T95 S96 A98 Y102 M118 | T95-H100 WeakPolarHBondContact CA-O 3.13Å; S96-H100 PolarHBondContact N-O 3.13Å; S96-H100 WeakPolarHBondContact OG-CA 3.18Å; S96-H100 WeakPolarHBondContact OG-CB 3.46Å; S96-H100 PolarHBondContact OG-N 3.41Å; S96-H100 VanDerWaalsContact OG-N 3.12Å; S96-H100 PolarHBondContact OG-O 2.94Å; A98-H100 PolarHBondContact O-N 3.08Å; H100-Y102 HydrophobicContact CB-CE2 4.29Å; H100-M118 HydrophobicContact CB-CB 3.82Å; H100-M118 HydrophobicContact CB-CG 3.77Å | ||
| 101 | T | 88.2 | Confident | 90 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.9 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 110 | V94 T95 M118 | V94-T101 CarbonylContact O-C 3.48Å; V94-T101 VanDerWaalsContact O-CA 3.3Å; V94-T101 WeakPolarHBondContact O-CA 3.48Å; T95-T101 PolarHBondContact OG1-OG1 3.38Å; T101-M118 WeakPolarHBondContact O-CB 3.3Å; T101-M118 VanDerWaalsContact O-SD 3.36Å |
| 102 | Y | 91.5 | Very high | 90.1 | Very high | 47 Ų | 47 | 41 Ų | 41 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.1 | 174.2 | -46.4 | -93 | 0 | 0 | 0 | 108.6 | S93 V94 H100 P117 M118 I206 | S93-Y102 WeakPolarHBondContact CA-O 3.11Å; V94-Y102 PolarHBondContact N-O 2.77Å; V94-Y102 PolarHBondContact O-N 2.98Å; H100-Y102 HydrophobicContact CB-CE2 4.29Å; Y102-P117 HydrophobicContact CD1-CB 3.94Å; Y102-P117 HydrophobicContact CE1-CB 4.34Å; Y102-M118 HydrophobicContact CE1-CB 4.38Å; Y102-I206 HydrophobicContact CD1-CD1 4.26Å; Y102-I206 HydrophobicContact CD1-CG1 4.04Å; Y102-I206 HydrophobicContact CG-CD1 4.46Å; Y102-I206 HydrophobicContact CG-CG1 4.22Å; Y102-I206 HydrophobicContact CG-CG2 4.41Å |
| 103 | T | 94.6 | Very high | 90.3 | Very high | 29 Ų | 29 | 41 Ų | 41 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.1 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | T91 Y92 K116 L181 | T91-T103 HydrophobicContact CG2-CG2 3.64Å; Y92-T103 CarbonylContact O-C 3.55Å; Y92-T103 VanDerWaalsContact O-CA 3.3Å; Y92-T103 WeakPolarHBondContact O-CA 3.28Å; T103-K116 PolarHBondContact N-O 3.49Å; T103-K116 PolarHBondContact O-N 2.9Å; T103-L181 HydrophobicContact CG2-CD1 3.76Å; T103-L181 HydrophobicContact CG2-CD2 4.28Å |
| 104 | V | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.7 | 175.1 | -171.8 | 0 | 0 | 0 | 0 | 108.5 | T91 Y92 F106 I113 C114 Y115 I206 I208 | T91-V104 CarbonylContact C-O 3.59Å; T91-V104 WeakPolarHBondContact CA-O 3.46Å; Y92-V104 PolarHBondContact N-O 3.05Å; Y92-V104 PolarHBondContact O-N 2.86Å; V104-F106 HydrophobicContact CB-CE2 4.39Å; V104-F106 HydrophobicContact CG1-CD2 4.22Å; V104-F106 HydrophobicContact CG1-CE2 3.61Å; V104-F106 HydrophobicContact CG1-CZ 4.1Å; V104-I113 HydrophobicContact CG1-CG2 3.78Å; V104-C114 CarbonylContact C-O 3.57Å; V104-C114 WeakPolarHBondContact CA-O 3.2Å; V104-Y115 HydrophobicContact CB-CD1 4.28Å; V104-Y115 HydrophobicContact CG1-CD1 3.57Å; V104-Y115 HydrophobicContact CG1-CE1 3.6Å; V104-Y115 HydrophobicContact CG1-CG 4.35Å; V104-Y115 HydrophobicContact CG2-CD1 3.75Å; V104-Y115 HydrophobicContact CG2-CE1 4.34Å; V104-I206 HydrophobicContact CG2-CG2 4.23Å; V104-I208 HydrophobicContact CB-CD1 4.15Å; V104-I208 HydrophobicContact CG1-CD1 3.96Å; V104-I208 HydrophobicContact CG2-CD1 3.78Å; V104-I208 HydrophobicContact CG2-CG1 4.28Å |
| 105 | L | 96.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.6 | -179.3 | 173.3 | 66.2 | 0 | 0 | 0 | 109.3 | L89 T91 I113 C114 P177 L178 L181 | L89-L105 HydrophobicContact CB-CD1 4.47Å; T91-L105 WeakPolarHBondContact OG1-CD1 3.37Å; L105-I113 CarbonylContact O-C 3.56Å; L105-I113 WeakPolarHBondContact O-CA 3.07Å; L105-C114 HydrophobicContact CB-CB 4.49Å; L105-C114 PolarHBondContact N-O 3.3Å; L105-C114 PolarHBondContact O-N 2.82Å; L105-P177 HydrophobicContact CD1-CG 4.31Å; L105-P177 HydrophobicContact CD2-CB 4.32Å; L105-P177 HydrophobicContact CD2-CG 3.87Å; L105-L178 HydrophobicContact CD2-CD2 3.84Å; L105-L178 HydrophobicContact CD2-CG 3.83Å; L105-L178 HydrophobicContact CG-CD2 4.43Å; L105-L181 HydrophobicContact CB-CD2 3.7Å; L105-L181 HydrophobicContact CD2-CD2 4.1Å |
| 106 | F | 96.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.4 | 169.6 | -65.1 | -99.9 | 0 | 0 | 0 | 108.3 | L89 V90 Y92 V104 V108 I113 M128 M136 F210 | L89-F106 WeakPolarHBondContact CA-O 3.34Å; V90-F106 HydrophobicContact CB-CB 4.28Å; V90-F106 PolarHBondContact N-O 2.81Å; V90-F106 PolarHBondContact O-N 3.01Å; Y92-F106 HydrophobicContact CD2-CD2 4.03Å; Y92-F106 AromaticContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CE2-CD2 4.37Å; Y92-F106 HydrophobicContact CE2-CE2 4.1Å; V104-F106 HydrophobicContact CB-CE2 4.39Å; V104-F106 HydrophobicContact CG1-CD2 4.22Å; V104-F106 HydrophobicContact CG1-CE2 3.61Å; V104-F106 HydrophobicContact CG1-CZ 4.1Å; F106-V108 HydrophobicContact CB-CG2 4.5Å; F106-I113 HydrophobicContact CD1-CB 4.49Å; F106-I113 HydrophobicContact CD1-CD1 4.06Å; F106-I113 HydrophobicContact CD1-CG1 3.82Å; F106-I113 HydrophobicContact CD1-CG2 4.03Å; F106-I113 HydrophobicContact CE1-CD1 3.71Å; F106-I113 HydrophobicContact CE1-CG1 3.95Å; F106-I113 HydrophobicContact CE1-CG2 3.88Å; F106-I113 HydrophobicContact CE2-CG2 4.45Å; F106-I113 HydrophobicContact CG-CG2 4.39Å; F106-I113 HydrophobicContact CZ-CG2 4.1Å; F106-M128 HydrophobicContact CD1-CE 4.28Å; F106-M136 HydrophobicContact CB-CG 4.03Å; F106-M136 HydrophobicContact CB-SD 3.72Å; F106-M136 HydrophobicContact CD1-CE 4.33Å; F106-M136 HydrophobicContact CD1-CG 3.79Å; F106-M136 HydrophobicContact CD1-SD 3.79Å; F106-M136 HydrophobicContact CD2-CE 4.37Å; F106-M136 HydrophobicContact CD2-SD 3.79Å; F106-M136 HydrophobicContact CE1-CE 4.29Å; F106-M136 HydrophobicContact CE1-CG 4.46Å; F106-M136 HydrophobicContact CE1-SD 4.33Å; F106-M136 HydrophobicContact CE2-CE 4.35Å; F106-M136 HydrophobicContact CE2-SD 4.35Å; F106-M136 HydrophobicContact CG-CE 4.37Å; F106-M136 HydrophobicContact CG-CG 3.98Å; F106-M136 HydrophobicContact CG-SD 3.49Å; F106-M136 WeakPolarHBondContact CG-SD 3.38Å; F106-M136 HydrophobicContact CZ-CE 4.31Å; F106-F210 HydrophobicContact CZ-CE1 4.32Å; F106-F210 HydrophobicContact CZ-CZ 4.31Å |
| 107 | D | 95.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 90.1 | 169.4 | -175.7 | -21.6 | 0 | 0 | 0 | 107.8 | L89 K109 H110 G111 L112 L178 | L89-D107 HydrophobicContact CD2-CB 3.92Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 2.87Å; D107-K109 PolarHBondContact OD1-N 3.03Å; D107-H110 VanDerWaalsContact CG-ND1 3.26Å; D107-H110 PolarHBondContact O-N 2.78Å; D107-H110 IonicContact OD1-CG 3.85Å; D107-H110 PolarHBondContact OD1-N 3.26Å; D107-H110 IonicContact OD1-ND1 3.54Å; D107-H110 PolarHBondContact OD1-ND1 2.05Å; D107-H110 VanDerWaalsContact OD1-ND1 3.1Å; D107-H110 IonicContact OD2-CE1 2.92Å; D107-H110 IonicContact OD2-CG 2.74Å; D107-H110 IonicContact OD2-ND1 2.74Å; D107-H110 PolarHBondContact OD2-ND1 2.67Å; D107-G111 WeakPolarHBondContact O-CA 3.42Å; D107-G111 PolarHBondContact O-N 3.19Å; D107-L112 HydrophobicContact CB-CB 4.44Å; D107-L112 PolarHBondContact N-O 3.44Å; D107-L112 PolarHBondContact O-N 2.76Å; D107-L178 HydrophobicContact CB-CD1 3.99Å |
| 108 | V | 95.3 | Very high | 92 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 17% | 0.17 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -32.6 | -173 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | D88 F106 G111 M128 Y133 M136 L140 | D88-V108 HydrophobicContact CB-CB 4.18Å; D88-V108 VanDerWaalsContact O-CB 3.31Å; D88-V108 WeakPolarHBondContact O-CB 3.43Å; D88-V108 WeakPolarHBondContact O-CG2 2.95Å; D88-V108 PolarHBondContact O-N 3.09Å; F106-V108 HydrophobicContact CB-CG2 4.5Å; V108-G111 PolarHBondContact O-N 3.23Å; V108-M128 HydrophobicContact CG2-CE 4.16Å; V108-M128 HydrophobicContact CG2-SD 4.41Å; V108-Y133 HydrophobicContact CG1-CD1 3.86Å; V108-Y133 HydrophobicContact CG1-CE1 4.06Å; V108-M136 HydrophobicContact CG2-CB 3.79Å; V108-M136 HydrophobicContact CG2-CG 3.95Å; V108-L140 HydrophobicContact CB-CD1 4.28Å; V108-L140 HydrophobicContact CG1-CD1 4.33Å; V108-L140 HydrophobicContact CG2-CD1 3.94Å |
| 109 | K | 93.5 | Very high | 91.4 | Very high | 138 Ų | 138 | 40.7 Ų | 40.7 | 60% | 0.6 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -43.2 | 178.2 | -176.5 | -176.3 | 173.4 | -157.4 | 0 | 112 | D88 D107 | D88-K109 HydrophobicContact CB-CB 4.21Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 2.87Å; D107-K109 PolarHBondContact OD1-N 3.03Å |
| 110 | H | 94.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 36.6 Ų | 36.6 | 36% | 0.356 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -3.3 | -179.5 | -54.5 | 118.7 | 0 | 0 | 0 | 113.6 | D107 L112 E175 | D107-H110 VanDerWaalsContact CG-ND1 3.26Å; D107-H110 PolarHBondContact O-N 2.78Å; D107-H110 IonicContact OD1-CG 3.85Å; D107-H110 PolarHBondContact OD1-N 3.26Å; D107-H110 IonicContact OD1-ND1 3.54Å; D107-H110 PolarHBondContact OD1-ND1 2.05Å; D107-H110 VanDerWaalsContact OD1-ND1 3.1Å; D107-H110 IonicContact OD2-CE1 2.92Å; D107-H110 IonicContact OD2-CG 2.74Å; D107-H110 IonicContact OD2-ND1 2.74Å; D107-H110 PolarHBondContact OD2-ND1 2.67Å; H110-L112 HydrophobicContact CB-CD1 4.44Å; H110-E175 IonicContact CE1-OE2 3.79Å; H110-E175 PolarHBondContact CE1-OE2 2.84Å; H110-E175 VanDerWaalsContact CE1-OE2 3.31Å; H110-E175 IonicContact NE2-OE2 3.91Å; H110-E175 PolarHBondContact NE2-OE2 3.34Å |
| 111 | G | 96.1 | Very high | 90.8 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D107 V108 M128 Y133 | D107-G111 WeakPolarHBondContact O-CA 3.42Å; D107-G111 PolarHBondContact O-N 3.19Å; V108-G111 PolarHBondContact O-N 3.23Å; G111-M128 PolarHBondContact O-N 2.84Å; G111-Y133 WeakPolarHBondContact CA-OH 3.48Å |
| 112 | L | 96.5 | Very high | 90.9 | Very high | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.8 | -176 | -65.1 | 175.3 | 0 | 0 | 0 | 111.9 | D107 H110 L125 S126 L178 W189 | D107-L112 HydrophobicContact CB-CB 4.44Å; D107-L112 PolarHBondContact N-O 3.44Å; D107-L112 PolarHBondContact O-N 2.76Å; H110-L112 HydrophobicContact CB-CD1 4.44Å; L112-L125 HydrophobicContact CB-CD1 4.33Å; L112-L125 HydrophobicContact CD2-CG 4.43Å; L112-S126 WeakPolarHBondContact CA-O 3.4Å; L112-L178 HydrophobicContact CB-CD1 4.31Å; L112-L178 HydrophobicContact CD1-CD1 3.98Å; L112-W189 HydrophobicContact CD2-CH2 3.69Å; L112-W189 HydrophobicContact CD2-CZ3 3.97Å |
| 113 | I | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.8 | 170.1 | -43.9 | 173 | 0 | 0 | 0 | 107.8 | V104 L105 F106 Y115 L125 S126 M128 D132 | V104-I113 HydrophobicContact CG1-CG2 3.78Å; L105-I113 CarbonylContact O-C 3.56Å; L105-I113 WeakPolarHBondContact O-CA 3.07Å; F106-I113 HydrophobicContact CD1-CB 4.49Å; F106-I113 HydrophobicContact CD1-CD1 4.06Å; F106-I113 HydrophobicContact CD1-CG1 3.82Å; F106-I113 HydrophobicContact CD1-CG2 4.03Å; F106-I113 HydrophobicContact CE1-CD1 3.71Å; F106-I113 HydrophobicContact CE1-CG1 3.95Å; F106-I113 HydrophobicContact CE1-CG2 3.88Å; F106-I113 HydrophobicContact CE2-CG2 4.45Å; F106-I113 HydrophobicContact CG-CG2 4.39Å; F106-I113 HydrophobicContact CZ-CG2 4.1Å; I113-Y115 HydrophobicContact CB-CE2 3.97Å; I113-Y115 HydrophobicContact CG2-CD2 4.26Å; I113-Y115 HydrophobicContact CG2-CE1 4.02Å; I113-Y115 HydrophobicContact CG2-CE2 3.6Å; I113-Y115 VanDerWaalsContact CG2-CZ 3.46Å; I113-L125 CarbonylContact O-C 3.53Å; I113-L125 WeakPolarHBondContact O-CA 3.49Å; I113-S126 PolarHBondContact N-O 2.82Å; I113-S126 PolarHBondContact O-N 2.76Å; I113-M128 HydrophobicContact CD1-CG 3.92Å; I113-M128 HydrophobicContact CG1-CB 4.49Å; I113-M128 HydrophobicContact CG1-CG 3.41Å; I113-M128 VanDerWaalsContact CG1-CG 3.41Å; I113-D132 HydrophobicContact CD1-CB 4.16Å |
| 114 | C | 96.2 | Very high | 91 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.5 | 174 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | V104 L105 Y124 L125 L178 L181 C182 | V104-C114 CarbonylContact C-O 3.57Å; V104-C114 WeakPolarHBondContact CA-O 3.2Å; L105-C114 HydrophobicContact CB-CB 4.49Å; L105-C114 PolarHBondContact N-O 3.3Å; L105-C114 PolarHBondContact O-N 2.82Å; C114-Y124 WeakPolarHBondContact CA-O 3.37Å; C114-L125 HydrophobicContact CB-CD1 4.03Å; C114-L178 HydrophobicContact CB-CD2 3.17Å; C114-L181 HydrophobicContact CB-CD2 4.3Å; C114-C182 PolarHBondContact SG-SG 3.32Å |
| 115 | Y | 95.4 | Very high | 91 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.1 | 175 | -52 | -94.8 | 0 | 0 | 0 | 108.9 | V104 I113 P117 C123 Y124 L161 I206 I208 V218 F220 | V104-Y115 HydrophobicContact CB-CD1 4.28Å; V104-Y115 HydrophobicContact CG1-CD1 3.57Å; V104-Y115 HydrophobicContact CG1-CE1 3.6Å; V104-Y115 HydrophobicContact CG1-CG 4.35Å; V104-Y115 HydrophobicContact CG2-CD1 3.75Å; V104-Y115 HydrophobicContact CG2-CE1 4.34Å; I113-Y115 HydrophobicContact CB-CE2 3.97Å; I113-Y115 HydrophobicContact CG2-CD2 4.26Å; I113-Y115 HydrophobicContact CG2-CE1 4.02Å; I113-Y115 HydrophobicContact CG2-CE2 3.6Å; I113-Y115 VanDerWaalsContact CG2-CZ 3.46Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å; Y115-C123 WeakPolarHBondContact O-CA 3.4Å; Y115-Y124 WeakPolarHBondContact CD2-O 3.31Å; Y115-Y124 PolarHBondContact N-O 3.26Å; Y115-Y124 PolarHBondContact O-N 3.26Å; Y115-L161 HydrophobicContact CD2-CD1 4.32Å; Y115-L161 HydrophobicContact CE2-CD1 3.68Å; Y115-I206 HydrophobicContact CD1-CD1 4.39Å; Y115-I208 HydrophobicContact CE1-CD1 4.16Å; Y115-V218 HydrophobicContact CE1-CB 4.43Å; Y115-V218 HydrophobicContact CE1-CG1 4.09Å; Y115-V218 HydrophobicContact CE1-CG2 4.26Å; Y115-F220 AromaticContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD2-CE1 4.22Å; Y115-F220 AromaticContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CE1-CZ 4.43Å; Y115-F220 HydrophobicContact CE2-CZ 4.33Å; Y115-F220 HydrophobicContact CG-CE1 4.36Å; Y115-F220 AromaticContact CG-CZ 3.6Å; Y115-F220 HydrophobicContact CG-CZ 3.6Å |
| 116 | K | 93.8 | Very high | 91 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 15% | 0.148 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 97.5 | 174.7 | 178.4 | 70.3 | -153.9 | 154.9 | 0 | 109.2 | T103 Q120 N122 C123 L181 S185 | T103-K116 PolarHBondContact N-O 3.49Å; T103-K116 PolarHBondContact O-N 2.9Å; K116-Q120 PolarHBondContact NZ-O 3.33Å; K116-N122 PolarHBondContact NZ-O 2.88Å; K116-N122 VanDerWaalsContact NZ-O 3.12Å; K116-C123 WeakPolarHBondContact CD-SG 3.45Å; K116-L181 HydrophobicContact CB-CD1 3.99Å; K116-L181 HydrophobicContact CB-CD2 4.3Å; K116-L181 HydrophobicContact CB-CG 4.06Å; K116-L181 HydrophobicContact CG-CD1 4.14Å; K116-L181 HydrophobicContact CG-CG 4.47Å; K116-S185 PolarHBondContact NZ-OG 3.14Å |
| 117 | P | 89.4 | Confident | 91 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | trans | -72.1 | 153.8 | 175.2 | -17 | 31.6 | 0 | 0 | 0 | 112.6 | Y102 Y115 Q120 Y124 F204 I206 | Y102-P117 HydrophobicContact CD1-CB 3.94Å; Y102-P117 HydrophobicContact CE1-CB 4.34Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-Q120 HydrophobicContact CB-CB 4.39Å; P117-Q120 HydrophobicContact CB-CG 4.12Å; P117-Y124 HydrophobicContact CG-CD2 4.03Å; P117-Y124 HydrophobicContact CG-CE2 3.81Å; P117-F204 HydrophobicContact CB-CE2 4.2Å; P117-F204 HydrophobicContact CB-CZ 4.32Å; P117-F204 HydrophobicContact CG-CD2 4.47Å; P117-F204 HydrophobicContact CG-CE1 4.2Å; P117-F204 HydrophobicContact CG-CE2 3.57Å; P117-F204 HydrophobicContact CG-CZ 3.43Å; P117-F204 VanDerWaalsContact CG-CZ 3.43Å; P117-I206 HydrophobicContact CG-CD1 4.45Å | ||
| 118 | M | 81.1 | Confident | 91 | Very high | 64 Ų | 64 | 44 Ų | 44 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 136.7 | 176 | -168 | 66.6 | 144.7 | 0 | 0 | 111 | H100 T101 Y102 Q120 | H100-M118 HydrophobicContact CB-CB 3.82Å; H100-M118 HydrophobicContact CB-CG 3.77Å; T101-M118 WeakPolarHBondContact O-CB 3.3Å; T101-M118 VanDerWaalsContact O-SD 3.36Å; Y102-M118 HydrophobicContact CE1-CB 4.38Å; M118-Q120 PolarHBondContact O-N 2.9Å |
| 119 | N | 67.1 | Low | 90.9 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 75% | 0.749 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 22.7 | 171.9 | -62.7 | -19.4 | 0 | 0 | 0 | 115.4 | ||
| 120 | Q | 68.4 | Low | 90.9 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -104 | 143.5 | 171 | -63.5 | -147 | -8.9 | 0 | 0 | 111 | K116 P117 M118 N122 Y124 Y203 | K116-Q120 PolarHBondContact NZ-O 3.33Å; P117-Q120 HydrophobicContact CB-CB 4.39Å; P117-Q120 HydrophobicContact CB-CG 4.12Å; M118-Q120 PolarHBondContact O-N 2.9Å; Q120-N122 PolarHBondContact O-N 2.85Å; Q120-Y124 PolarHBondContact OE1-OH 2.89Å; Q120-Y203 VanDerWaalsContact NE2-CZ 3.28Å; Q120-Y203 PolarHBondContact NE2-OH 3.34Å | ||
| 121 | E | 83.6 | Confident | 90.6 | Very high | 162 Ų | 162 | 46.4 Ų | 46.4 | 76% | 0.757 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -73.1 | 0.4 | 171.3 | -62.9 | -177.6 | 177 | 0 | 0 | 112.2 | S185 S186 | E121-S185 CarbonylContact O-C 3.57Å; E121-S185 WeakPolarHBondContact O-CA 3.33Å; E121-S185 WeakPolarHBondContact O-CB 3.49Å; E121-S186 PolarHBondContact O-N 2.97Å |
| 122 | N | 90.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.4 | -174 | -59.3 | -16.4 | 0 | 0 | 0 | 111.9 | K116 Q120 Y124 S186 | K116-N122 PolarHBondContact NZ-O 2.88Å; K116-N122 VanDerWaalsContact NZ-O 3.12Å; Q120-N122 PolarHBondContact O-N 2.85Å; N122-Y124 HydrophobicContact CB-CE1 4.33Å; N122-Y124 HydrophobicContact CB-CE2 4.09Å; N122-S186 CarbonylContact C-O 3.55Å; N122-S186 VanDerWaalsContact CA-O 3.24Å; N122-S186 WeakPolarHBondContact CA-O 3.31Å; N122-S186 PolarHBondContact OD1-OG 3.42Å |
| 123 | C | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150 | 161.9 | -82.5 | 0 | 0 | 0 | 0 | 108.4 | Y115 K116 C182 S186 I187 H188 | Y115-C123 WeakPolarHBondContact O-CA 3.4Å; K116-C123 WeakPolarHBondContact CD-SG 3.45Å; C123-C182 HydrophobicContact CB-CB 3.91Å; C123-C182 WeakPolarHBondContact CB-SG 3.35Å; C123-C182 VanDerWaalsContact SG-CA 3.55Å; C123-C182 WeakPolarHBondContact SG-CB 3.34Å; C123-C182 CovalentContact SG-SG 2.04Å; C123-C182 PolarHBondContact SG-SG 3.12Å; C123-S186 PolarHBondContact N-O 2.83Å; C123-I187 HydrophobicContact CB-CB 4.41Å; C123-I187 HydrophobicContact CB-CG1 3.88Å; C123-I187 HydrophobicContact CB-CG2 4.43Å; C123-I187 WeakPolarHBondContact O-CA 3.43Å; C123-H188 PolarHBondContact O-N 3.43Å |
| 124 | Y | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.3 | 179.2 | -56.5 | -80.2 | 0 | 0 | 0 | 109.2 | C114 Y115 P117 Q120 N122 V163 H188 T190 F204 F220 | C114-Y124 WeakPolarHBondContact CA-O 3.37Å; Y115-Y124 WeakPolarHBondContact CD2-O 3.31Å; Y115-Y124 PolarHBondContact N-O 3.26Å; Y115-Y124 PolarHBondContact O-N 3.26Å; P117-Y124 HydrophobicContact CG-CD2 4.03Å; P117-Y124 HydrophobicContact CG-CE2 3.81Å; Q120-Y124 PolarHBondContact OE1-OH 2.89Å; N122-Y124 HydrophobicContact CB-CE1 4.33Å; N122-Y124 HydrophobicContact CB-CE2 4.09Å; Y124-V163 HydrophobicContact CD1-CG1 4.21Å; Y124-V163 HydrophobicContact CD1-CG2 3.75Å; Y124-V163 HydrophobicContact CE1-CB 4.47Å; Y124-V163 HydrophobicContact CE1-CG1 4Å; Y124-V163 HydrophobicContact CE1-CG2 3.57Å; Y124-H188 WeakPolarHBondContact CA-O 3.22Å; Y124-H188 HydrophobicContact CD1-CB 4.29Å; Y124-T190 HydrophobicContact CD1-CG2 3.95Å; Y124-T190 HydrophobicContact CG-CG2 4.25Å; Y124-F204 AromaticContact CD2-CZ 3.89Å; Y124-F204 HydrophobicContact CD2-CZ 3.89Å; Y124-F204 AromaticContact CE2-CE1 3.75Å; Y124-F204 HydrophobicContact CE2-CE1 3.75Å; Y124-F204 AromaticContact CE2-CZ 3.5Å; Y124-F204 HydrophobicContact CE2-CZ 3.5Å; Y124-F204 VanDerWaalsContact CE2-CZ 3.5Å; Y124-F220 HydrophobicContact CD1-CD1 4.3Å; Y124-F220 HydrophobicContact CD2-CD1 4.34Å; Y124-F220 HydrophobicContact CD2-CE1 4.22Å; Y124-F220 HydrophobicContact CG-CD1 4.03Å; Y124-F220 AromaticContact CG-CE1 3.88Å; Y124-F220 HydrophobicContact CG-CE1 3.88Å |
| 125 | L | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.7 | -177.8 | -163.8 | 66.3 | 0 | 0 | 0 | 109.2 | L112 I113 C114 V169 L174 L178 I187 H188 W189 T190 | L112-L125 HydrophobicContact CB-CD1 4.33Å; L112-L125 HydrophobicContact CD2-CG 4.43Å; I113-L125 CarbonylContact O-C 3.53Å; I113-L125 WeakPolarHBondContact O-CA 3.49Å; C114-L125 HydrophobicContact CB-CD1 4.03Å; L125-V169 HydrophobicContact CD2-CG2 4.48Å; L125-L174 HydrophobicContact CD2-CD2 3.95Å; L125-L178 HydrophobicContact CD1-CD2 4.13Å; L125-I187 HydrophobicContact CB-CG2 3.96Å; L125-H188 PolarHBondContact N-O 2.92Å; L125-W189 HydrophobicContact CB-CD2 4.46Å; L125-W189 HydrophobicContact CB-CE3 4.01Å; L125-W189 HydrophobicContact CB-CZ3 4.11Å; L125-W189 HydrophobicContact CD2-CD2 4.35Å; L125-W189 HydrophobicContact CD2-CE3 4.13Å; L125-W189 HydrophobicContact CD2-CH2 3.35Å; L125-W189 HydrophobicContact CD2-CZ2 3.6Å; L125-W189 HydrophobicContact CD2-CZ3 3.65Å; L125-W189 HydrophobicContact CG-CE3 4.02Å; L125-W189 HydrophobicContact CG-CH2 3.84Å; L125-W189 HydrophobicContact CG-CZ2 4.45Å; L125-W189 HydrophobicContact CG-CZ3 3.59Å; L125-W189 CarbonylContact O-C 3.59Å; L125-W189 WeakPolarHBondContact O-CA 3.44Å; L125-T190 PolarHBondContact O-N 2.98Å; L125-T190 PolarHBondContact O-OG1 3.44Å |
| 126 | S | 95.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155 | 174 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | L112 I113 T190 | L112-S126 WeakPolarHBondContact CA-O 3.4Å; I113-S126 PolarHBondContact N-O 2.82Å; I113-S126 PolarHBondContact O-N 2.76Å; S126-T190 WeakPolarHBondContact CB-OG1 3.47Å |
| 127 | K | 95.7 | Very high | 88.8 | Confident | 149 Ų | 149 | 57.8 Ų | 57.8 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 144.4 | 164.5 | -65.2 | -174 | 178 | -176.2 | 0 | 109.1 | W189 | K127-W189 HydrophobicContact CG-CZ3 4.1Å |
| 128 | M | 95.9 | Very high | 88.3 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | trans | -71.6 | 137.1 | 171 | -70.3 | -178 | 72.6 | 0 | 0 | 110.4 | F106 V108 G111 I113 D132 Y133 M136 | F106-M128 HydrophobicContact CD1-CE 4.28Å; V108-M128 HydrophobicContact CG2-CE 4.16Å; V108-M128 HydrophobicContact CG2-SD 4.41Å; G111-M128 PolarHBondContact O-N 2.84Å; I113-M128 HydrophobicContact CD1-CG 3.92Å; I113-M128 HydrophobicContact CG1-CB 4.49Å; I113-M128 HydrophobicContact CG1-CG 3.41Å; I113-M128 VanDerWaalsContact CG1-CG 3.41Å; M128-D132 HydrophobicContact CB-CB 4.06Å; M128-D132 HydrophobicContact CE-CB 3.68Å; M128-D132 HydrophobicContact CG-CB 4.16Å; M128-Y133 HydrophobicContact CB-CD2 4.2Å; M128-Y133 HydrophobicContact CB-CE1 4.38Å; M128-Y133 HydrophobicContact CB-CE2 3.56Å; M128-Y133 HydrophobicContact CE-CD1 3.84Å; M128-Y133 HydrophobicContact CE-CE1 4.03Å; M128-Y133 HydrophobicContact CE-CG 4.09Å; M128-Y133 HydrophobicContact SD-CD1 4.49Å; M128-Y133 HydrophobicContact SD-CE1 4.09Å; M128-M136 HydrophobicContact CE-CB 4.48Å; M128-M136 HydrophobicContact CE-CG 3.93Å | ||
| 129 | E | 95 | Very high | 88.3 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | trans | -105.5 | 178.1 | 166.3 | -52.9 | -179.7 | 164.1 | 0 | 0 | 110.5 | S131 D132 Y133 R192 | E129-S131 VanDerWaalsContact C-N 3.29Å; E129-S131 PolarHBondContact O-N 2.92Å; E129-D132 PolarHBondContact N-OD2 3.36Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 2.9Å; E129-Y133 WeakPolarHBondContact O-CD2 3.46Å; E129-Y133 PolarHBondContact O-N 2.9Å; E129-R192 VanDerWaalsContact CB-NH1 3.27Å; E129-R192 VanDerWaalsContact CG-NH1 3.31Å; E129-R192 VanDerWaalsContact OE2-CD 3.28Å; E129-R192 WeakPolarHBondContact OE2-CD 3.31Å; E129-R192 IonicContact OE2-CZ 3.31Å; E129-R192 IonicContact OE2-NE 2.74Å; E129-R192 IonicContact OE2-NH1 3.48Å; E129-R192 PolarHBondContact OE2-NH1 3.15Å | ||
| 130 | K | 93.3 | Very high | 89.1 | Confident | 156 Ų | 156 | 50.6 Ų | 50.6 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -53.4 | -43.9 | -174.1 | -165.2 | -172.2 | -178.6 | -121.6 | 0 | 113.3 | D132 Y133 E134 | K130-D132 VanDerWaalsContact C-N 3.27Å; K130-D132 PolarHBondContact O-N 3.48Å; K130-Y133 PolarHBondContact O-N 2.7Å; K130-E134 WeakPolarHBondContact CE-OE1 3.31Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 PolarHBondContact NZ-OE1 3.13Å; K130-E134 WeakPolarHBondContact O-CG 3.22Å; K130-E134 PolarHBondContact O-N 3.22Å |
| 131 | S | 88.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -34.3 | 178.4 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | E129 E134 N135 | E129-S131 VanDerWaalsContact C-N 3.29Å; E129-S131 PolarHBondContact O-N 2.92Å; S131-E134 PolarHBondContact O-N 2.74Å; S131-N135 WeakPolarHBondContact O-CB 3.48Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 3.42Å; S131-N135 PolarHBondContact O-ND2 3.27Å |
| 132 | D | 92.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.3 | -43.7 | 178.3 | -55.8 | -58.2 | 0 | 0 | 0 | 110.9 | I113 M128 E129 K130 N135 M136 R192 | I113-D132 HydrophobicContact CD1-CB 4.16Å; M128-D132 HydrophobicContact CB-CB 4.06Å; M128-D132 HydrophobicContact CE-CB 3.68Å; M128-D132 HydrophobicContact CG-CB 4.16Å; E129-D132 PolarHBondContact N-OD2 3.36Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 2.9Å; K130-D132 VanDerWaalsContact C-N 3.27Å; K130-D132 PolarHBondContact O-N 3.48Å; D132-N135 PolarHBondContact O-N 2.86Å; D132-M136 WeakPolarHBondContact O-CB 3.06Å; D132-M136 VanDerWaalsContact O-CG 3.28Å; D132-M136 WeakPolarHBondContact O-CG 3.08Å; D132-M136 PolarHBondContact O-N 3.02Å; D132-R192 IonicContact OD1-CZ 3.86Å; D132-R192 IonicContact OD1-NH1 3.19Å; D132-R192 IonicContact OD1-NH2 2.82Å; D132-R192 PolarHBondContact OD1-NH2 3.23Å; D132-R192 IonicContact OD2-CZ 3.1Å; D132-R192 VanDerWaalsContact OD2-CZ 3.28Å; D132-R192 IonicContact OD2-NH1 3.58Å; D132-R192 PolarHBondContact OD2-NH1 2.81Å; D132-R192 IonicContact OD2-NH2 3.6Å; D132-R192 PolarHBondContact OD2-NH2 2.8Å |
| 133 | Y | 93.1 | Very high | 87.2 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 35% | 0.345 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.5 | -68.7 | -77.3 | 0 | 0 | 0 | 111.5 | V108 G111 M128 E129 K130 N135 M136 Q137 | V108-Y133 HydrophobicContact CG1-CD1 3.86Å; V108-Y133 HydrophobicContact CG1-CE1 4.06Å; G111-Y133 WeakPolarHBondContact CA-OH 3.48Å; M128-Y133 HydrophobicContact CB-CD2 4.2Å; M128-Y133 HydrophobicContact CB-CE1 4.38Å; M128-Y133 HydrophobicContact CB-CE2 3.56Å; M128-Y133 HydrophobicContact CE-CD1 3.84Å; M128-Y133 HydrophobicContact CE-CE1 4.03Å; M128-Y133 HydrophobicContact CE-CG 4.09Å; M128-Y133 HydrophobicContact SD-CD1 4.49Å; M128-Y133 HydrophobicContact SD-CE1 4.09Å; E129-Y133 WeakPolarHBondContact O-CD2 3.46Å; E129-Y133 PolarHBondContact O-N 2.9Å; K130-Y133 PolarHBondContact O-N 2.7Å; Y133-N135 VanDerWaalsContact C-N 3.34Å; Y133-N135 PolarHBondContact O-N 3.18Å; Y133-M136 PolarHBondContact O-N 2.63Å; Y133-Q137 VanDerWaalsContact O-CB 3.22Å; Y133-Q137 WeakPolarHBondContact O-CB 3.4Å; Y133-Q137 PolarHBondContact O-N 3.46Å |
| 134 | E | 89.7 | Confident | 85.4 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.9 | -71.8 | 172.7 | -179.4 | 0 | 0 | 111.2 | K130 S131 | K130-E134 WeakPolarHBondContact CE-OE1 3.31Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 PolarHBondContact NZ-OE1 3.13Å; K130-E134 WeakPolarHBondContact O-CG 3.22Å; K130-E134 PolarHBondContact O-N 3.22Å; S131-E134 PolarHBondContact O-N 2.74Å |
| 135 | N | 87.6 | Confident | 83.4 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.5 | -73.5 | -30.3 | 0 | 0 | 0 | 112 | S131 D132 Y133 S138 F210 | S131-N135 WeakPolarHBondContact O-CB 3.48Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 3.42Å; S131-N135 PolarHBondContact O-ND2 3.27Å; D132-N135 PolarHBondContact O-N 2.86Å; Y133-N135 VanDerWaalsContact C-N 3.34Å; Y133-N135 PolarHBondContact O-N 3.18Å; N135-S138 PolarHBondContact O-OG 2.98Å; N135-F210 HydrophobicContact CB-CD1 4.23Å; N135-F210 HydrophobicContact CB-CE1 4.28Å; N135-F210 HydrophobicContact CB-CG 4.45Å; N135-F210 HydrophobicContact CB-CZ 4.48Å |
| 136 | M | 89 | Confident | 81.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.1 | -35.2 | -176.5 | -69.5 | -54.7 | 94.9 | 0 | 0 | 113.4 | V90 Y92 F106 V108 M128 D132 Y133 S138 L139 L140 F210 | V90-M136 HydrophobicContact CB-SD 3.66Å; V90-M136 HydrophobicContact CG1-SD 3.91Å; V90-M136 HydrophobicContact CG2-SD 3.82Å; Y92-M136 HydrophobicContact CE2-CE 4.05Å; F106-M136 HydrophobicContact CB-CG 4.03Å; F106-M136 HydrophobicContact CB-SD 3.72Å; F106-M136 HydrophobicContact CD1-CE 4.33Å; F106-M136 HydrophobicContact CD1-CG 3.79Å; F106-M136 HydrophobicContact CD1-SD 3.79Å; F106-M136 HydrophobicContact CD2-CE 4.37Å; F106-M136 HydrophobicContact CD2-SD 3.79Å; F106-M136 HydrophobicContact CE1-CE 4.29Å; F106-M136 HydrophobicContact CE1-CG 4.46Å; F106-M136 HydrophobicContact CE1-SD 4.33Å; F106-M136 HydrophobicContact CE2-CE 4.35Å; F106-M136 HydrophobicContact CE2-SD 4.35Å; F106-M136 HydrophobicContact CG-CE 4.37Å; F106-M136 HydrophobicContact CG-CG 3.98Å; F106-M136 HydrophobicContact CG-SD 3.49Å; F106-M136 WeakPolarHBondContact CG-SD 3.38Å; F106-M136 HydrophobicContact CZ-CE 4.31Å; V108-M136 HydrophobicContact CG2-CB 3.79Å; V108-M136 HydrophobicContact CG2-CG 3.95Å; M128-M136 HydrophobicContact CE-CB 4.48Å; M128-M136 HydrophobicContact CE-CG 3.93Å; D132-M136 WeakPolarHBondContact O-CB 3.06Å; D132-M136 VanDerWaalsContact O-CG 3.28Å; D132-M136 WeakPolarHBondContact O-CG 3.08Å; D132-M136 PolarHBondContact O-N 3.02Å; Y133-M136 PolarHBondContact O-N 2.63Å; M136-S138 PolarHBondContact O-N 2.82Å; M136-L139 HydrophobicContact CE-CD1 3.71Å; M136-L139 WeakPolarHBondContact O-CB 3.43Å; M136-L139 PolarHBondContact O-N 2.98Å; M136-L139 HydrophobicContact SD-CD1 4.1Å; M136-L140 PolarHBondContact O-N 2.78Å; M136-L140 VanDerWaalsContact O-N 3.09Å; M136-F210 HydrophobicContact CE-CD1 3.62Å; M136-F210 HydrophobicContact CE-CE1 3.24Å; M136-F210 HydrophobicContact CE-CZ 4.3Å |
| 137 | Q | 85.3 | Confident | 79.5 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -34.7 | -178.6 | -171.7 | 164.1 | 22.8 | 0 | 0 | 111.7 | Y133 L139 L140 Q141 | Y133-Q137 VanDerWaalsContact O-CB 3.22Å; Y133-Q137 WeakPolarHBondContact O-CB 3.4Å; Y133-Q137 PolarHBondContact O-N 3.46Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.08Å; Q137-L140 PolarHBondContact O-N 3.1Å; Q137-Q141 VanDerWaalsContact CG-CD 3.43Å; Q137-Q141 HydrophobicContact CG-CG 4.04Å; Q137-Q141 VanDerWaalsContact O-CB 3.29Å; Q137-Q141 WeakPolarHBondContact O-CB 3.37Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.5Å; Q137-Q141 PolarHBondContact O-N 3.28Å |
| 138 | S | 78 | Confident | 77.9 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -38 | 174.4 | 74.2 | 0 | 0 | 0 | 0 | 113 | N135 M136 Q142 | N135-S138 PolarHBondContact O-OG 2.98Å; M136-S138 PolarHBondContact O-N 2.82Å; S138-Q142 VanDerWaalsContact O-CB 3.31Å; S138-Q142 WeakPolarHBondContact O-CB 3.35Å; S138-Q142 WeakPolarHBondContact O-CG 3.3Å; S138-Q142 PolarHBondContact O-N 3.03Å |
| 139 | L | 80.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -77.9 | -42.8 | -179.2 | -69.2 | 159.2 | 0 | 0 | 0 | 112.7 | V83 V90 Y92 M136 Q137 M144 P211 | V83-L139 HydrophobicContact CG2-CB 4.45Å; V90-L139 HydrophobicContact CG1-CD1 3.96Å; Y92-L139 HydrophobicContact CE2-CD1 4.21Å; Y92-L139 WeakPolarHBondContact OH-CD1 3.45Å; M136-L139 HydrophobicContact CE-CD1 3.71Å; M136-L139 WeakPolarHBondContact O-CB 3.43Å; M136-L139 PolarHBondContact O-N 2.98Å; M136-L139 HydrophobicContact SD-CD1 4.1Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.08Å; L139-M144 HydrophobicContact CD2-CE 4.24Å; L139-P211 HydrophobicContact CD2-CG 3.51Å |
| 140 | L | 83.5 | Confident | 74.8 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | -178.2 | -69.9 | 169.5 | 0 | 0 | 0 | 111 | V83 K85 D88 V90 V108 M136 Q137 | V83-L140 HydrophobicContact CG1-CD2 3.93Å; K85-L140 WeakPolarHBondContact CD-O 3.21Å; K85-L140 VanDerWaalsContact CE-O 3.22Å; K85-L140 WeakPolarHBondContact CE-O 3.33Å; K85-L140 PolarHBondContact NZ-O 3.34Å; K85-L140 VanDerWaalsContact NZ-O 3.1Å; D88-L140 HydrophobicContact CB-CD1 4.5Å; V90-L140 HydrophobicContact CG2-CD2 4.11Å; V90-L140 HydrophobicContact CG2-CG 4.23Å; V108-L140 HydrophobicContact CB-CD1 4.28Å; V108-L140 HydrophobicContact CG1-CD1 4.33Å; V108-L140 HydrophobicContact CG2-CD1 3.94Å; M136-L140 PolarHBondContact O-N 2.78Å; M136-L140 VanDerWaalsContact O-N 3.09Å; Q137-L140 PolarHBondContact O-N 3.1Å |
| 141 | Q | 79.1 | Confident | 73.1 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -81 | -35.1 | -176.7 | -67.7 | -178.1 | -18.6 | 0 | 0 | 113.6 | Q137 | Q137-Q141 VanDerWaalsContact CG-CD 3.43Å; Q137-Q141 HydrophobicContact CG-CG 4.04Å; Q137-Q141 VanDerWaalsContact O-CB 3.29Å; Q137-Q141 WeakPolarHBondContact O-CB 3.37Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.5Å; Q137-Q141 PolarHBondContact O-N 3.28Å |
| 142 | Q | 66.2 | Low | 71.7 | Confident | 111 Ų | 111 | 73.6 Ų | 73.6 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -84.3 | 140.2 | -177.8 | -67.1 | 178.8 | -16.6 | 0 | 0 | 111.5 | K85 S138 M144 | K85-Q142 PolarHBondContact NZ-O 2.97Å; S138-Q142 VanDerWaalsContact O-CB 3.31Å; S138-Q142 WeakPolarHBondContact O-CB 3.35Å; S138-Q142 WeakPolarHBondContact O-CG 3.3Å; S138-Q142 PolarHBondContact O-N 3.03Å; Q142-M144 HydrophobicContact CB-CE 3.91Å; Q142-M144 HydrophobicContact CB-CG 4.44Å; Q142-M144 HydrophobicContact CB-SD 4.13Å; Q142-M144 PolarHBondContact O-N 3.11Å |
| 143 | S | 57.4 | Low | 70.5 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 63% | 0.629 | 43% | 0.428 | S | S | * | . | trans | -79.8 | 91.3 | 163.8 | 60.7 | 0 | 0 | 0 | 0 | 107.4 | Q145 | S143-Q145 PolarHBondContact O-N 3.17Å; S143-Q145 VanDerWaalsContact O-N 3.14Å | ||
| 144 | M | 57.1 | Low | 69.7 | Low | 34 Ų | 34 | 79.3 Ų | 79.3 | 17% | 0.167 | 42% | 0.419 | C | S | . | . | trans | -70.9 | 110.8 | -178.4 | -67 | -65.1 | -171.4 | 0 | 0 | 109.2 | V65 L139 Q142 P211 | V65-M144 HydrophobicContact CG1-CB 4.48Å; V65-M144 HydrophobicContact CG2-CB 3.6Å; V65-M144 HydrophobicContact CG2-CG 4.26Å; L139-M144 HydrophobicContact CD2-CE 4.24Å; Q142-M144 HydrophobicContact CB-CE 3.91Å; Q142-M144 HydrophobicContact CB-CG 4.44Å; Q142-M144 HydrophobicContact CB-SD 4.13Å; Q142-M144 PolarHBondContact O-N 3.11Å; M144-P211 HydrophobicContact CE-CB 3.91Å; M144-P211 HydrophobicContact CE-CG 4.27Å | ||
| 145 | Q | 51.7 | Low | 69.4 | Low | 165 Ų | 165 | 80.1 Ų | 80.1 | 77% | 0.771 | 42% | 0.423 | S | S | * | . | trans | -79.1 | 125.8 | 167.4 | -78.1 | 166.5 | -1.4 | 0 | 0 | 108.7 | S143 | S143-Q145 PolarHBondContact O-N 3.17Å; S143-Q145 VanDerWaalsContact O-N 3.14Å | ||
| 146 | T | 53.6 | Low | 69.3 | Low | 120 Ų | 120 | 83.4 Ų | 83.4 | 74% | 0.736 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 23.9 | 127.7 | 157.3 | -39.8 | 0 | 0 | 0 | 0 | 119.5 | ||
| 147 | E | 56.6 | Low | 69.3 | Low | 122 Ų | 122 | 86.7 Ų | 86.7 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | trans | 39.2 | 85.1 | 163.1 | -72.4 | -175.6 | 175.9 | 0 | 0 | 116.1 | R66 L149 | R66-E147 HydrophobicContact CB-CG 4Å; R66-E147 WeakPolarHBondContact O-CA 3.08Å; E147-L149 PolarHBondContact O-N 3.24Å | ||
| 148 | V | 62.2 | Low | 69.5 | Low | 39 Ų | 39 | 85.6 Ų | 85.6 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114 | 172.7 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | R66 L150 | R66-V148 PolarHBondContact O-N 2.92Å; V148-L150 HydrophobicContact CB-CD1 4.43Å; V148-L150 HydrophobicContact CG1-CD1 3.88Å |
| 149 | L | 60.2 | Low | 70.1 | Confident | 135 Ų | 135 | 85.4 Ų | 85.4 | 71% | 0.707 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.7 | 164.9 | -66.3 | 175.5 | 0 | 0 | 0 | 108.1 | E147 | E147-L149 PolarHBondContact O-N 3.24Å |
| 150 | L | 64.8 | Low | 70.6 | Confident | 11 Ų | 11 | 87.7 Ų | 87.7 | 6% | 0.058 | 46% | 0.456 | C | S | . | . | trans | -73.5 | 126.8 | 176.1 | -85.2 | 75 | 0 | 0 | 0 | 109.4 | I67 V69 V148 T154 C209 N213 | I67-L150 HydrophobicContact CG2-CD1 3.34Å; V69-L150 HydrophobicContact CG1-CB 4.19Å; V69-L150 HydrophobicContact CG1-CD2 4.31Å; V69-L150 HydrophobicContact CG2-CB 4.22Å; V69-L150 HydrophobicContact CG2-CD1 3.93Å; V69-L150 HydrophobicContact CG2-CD2 4.13Å; V69-L150 HydrophobicContact CG2-CG 4.33Å; V148-L150 HydrophobicContact CB-CD1 4.43Å; V148-L150 HydrophobicContact CG1-CD1 3.88Å; L150-T154 HydrophobicContact CB-CG2 3.77Å; L150-T154 HydrophobicContact CD2-CG2 3.72Å; L150-T154 HydrophobicContact CG-CG2 4.24Å; L150-C209 HydrophobicContact CD2-CB 4.13Å; L150-N213 WeakPolarHBondContact CG-OD1 3.5Å | ||
| 151 | G | 57.2 | Low | 71.1 | Confident | 43 Ų | 43 | 86.6 Ų | 86.6 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | trans | -79.7 | -172.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E153 T154 | G151-E153 VanDerWaalsContact C-N 3.28Å; G151-E153 PolarHBondContact O-N 3.46Å; G151-T154 WeakPolarHBondContact O-CG2 3.46Å | ||
| 152 | N | 59.1 | Low | 71.7 | Confident | 170 Ų | 170 | 80.1 Ų | 80.1 | 91% | 0.909 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -66.4 | -18.6 | -174.3 | -80.8 | -9.6 | 0 | 0 | 0 | 115.4 | T154 | N152-T154 VanDerWaalsContact C-N 3.32Å; N152-T154 PolarHBondContact O-N 3.04Å |
| 153 | E | 69.1 | Low | 72.8 | Confident | 184 Ų | 184 | 75 Ų | 75 | 86% | 0.86 | 40% | 0.396 | S | S | * | . | trans | -93.9 | 46.7 | 178.9 | -64.9 | -174.3 | 159.1 | 0 | 0 | 112.1 | G151 Q155 | G151-E153 VanDerWaalsContact C-N 3.28Å; G151-E153 PolarHBondContact O-N 3.46Å; E153-Q155 PolarHBondContact O-N 2.83Å | ||
| 154 | T | 75.7 | Confident | 74.3 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 17% | 0.172 | 38% | 0.378 | C | S | . | . | trans | -78.8 | 121.1 | 174.2 | 38.9 | 0 | 0 | 0 | 0 | 110.9 | L150 G151 N152 R156 N213 | L150-T154 HydrophobicContact CB-CG2 3.77Å; L150-T154 HydrophobicContact CD2-CG2 3.72Å; L150-T154 HydrophobicContact CG-CG2 4.24Å; G151-T154 WeakPolarHBondContact O-CG2 3.46Å; N152-T154 VanDerWaalsContact C-N 3.32Å; N152-T154 PolarHBondContact O-N 3.04Å; T154-R156 PolarHBondContact O-N 2.81Å; T154-N213 CarbonylContact C-O 3.59Å; T154-N213 WeakPolarHBondContact CA-O 3.37Å; T154-N213 HydrophobicContact CG2-CB 4.45Å | ||
| 155 | Q | 84.1 | Confident | 75.4 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.5 | 173.1 | -176.4 | 175.7 | -10.7 | 0 | 0 | 109 | E153 N213 I214 C215 | E153-Q155 PolarHBondContact O-N 2.83Å; Q155-N213 PolarHBondContact N-O 3.1Å; Q155-I214 CarbonylContact O-C 3.52Å; Q155-I214 WeakPolarHBondContact O-CA 3.44Å; Q155-C215 PolarHBondContact O-N 3.44Å |
| 156 | R | 84.5 | Confident | 76.6 | Confident | 88 Ų | 88 | 70 Ų | 70 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.1 | 177.1 | -65.4 | -171.5 | -179.3 | -112.8 | -4.5 | 110.9 | P70 T154 C215 | P70-R156 PolarHBondContact O-NH2 2.78Å; T154-R156 PolarHBondContact O-N 2.81Å; R156-C215 WeakPolarHBondContact CA-O 3.32Å; R156-C215 HydrophobicContact CG-CB 4.15Å |
| 157 | Q | 88.3 | Confident | 77.8 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.8 | 172.1 | 64.8 | -174.5 | 19.6 | 0 | 0 | 110.7 | C215 V216 S217 | Q157-C215 PolarHBondContact N-O 3.11Å; Q157-V216 HydrophobicContact CG-CB 4.32Å; Q157-V216 HydrophobicContact CG-CG1 4.27Å; Q157-V216 HydrophobicContact CG-CG2 3.69Å; Q157-V216 CarbonylContact O-C 3.54Å; Q157-V216 WeakPolarHBondContact O-CA 3.35Å; Q157-S217 PolarHBondContact O-N 3.01Å |
| 158 | T | 89.7 | Confident | 79.2 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 108.7 | F160 S217 | T158-F160 HydrophobicContact CG2-CD2 4.48Å; T158-F160 HydrophobicContact CG2-CE1 3.94Å; T158-F160 HydrophobicContact CG2-CE2 3.93Å; T158-F160 HydrophobicContact CG2-CZ 3.63Å; T158-S217 WeakPolarHBondContact CA-O 3.34Å |
| 159 | E | 91.8 | Very high | 80.5 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139 | 174.2 | -71 | -176.6 | -166.7 | 0 | 0 | 109.5 | R192 V216 S217 V218 C219 | E159-R192 IonicContact OE1-CZ 2.78Å; E159-R192 IonicContact OE1-NH2 3Å; E159-R192 IonicContact OE2-CZ 3.7Å; E159-R192 IonicContact OE2-NE 3.96Å; E159-R192 PolarHBondContact OE2-NE 3.46Å; E159-R192 IonicContact OE2-NH2 3.28Å; E159-R192 PolarHBondContact OE2-NH2 3.05Å; E159-V216 HydrophobicContact CB-CG1 4.19Å; E159-V216 HydrophobicContact CG-CG1 3.77Å; E159-S217 PolarHBondContact N-O 2.85Å; E159-V218 WeakPolarHBondContact O-CA 3.44Å; E159-C219 PolarHBondContact O-N 2.77Å |
| 160 | F | 91.6 | Very high | 81.8 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.1 | 179.7 | -60.4 | -81 | 0 | 0 | 0 | 110.5 | T158 R192 Q193 P196 V202 C219 Y221 | T158-F160 HydrophobicContact CG2-CD2 4.48Å; T158-F160 HydrophobicContact CG2-CE1 3.94Å; T158-F160 HydrophobicContact CG2-CE2 3.93Å; T158-F160 HydrophobicContact CG2-CZ 3.63Å; F160-R192 CarbonylContact O-C 3.56Å; F160-R192 WeakPolarHBondContact O-CA 3.31Å; F160-Q193 PolarHBondContact O-N 3.47Å; F160-P196 VanDerWaalsContact CD1-CD 3.41Å; F160-P196 HydrophobicContact CD1-CG 4.35Å; F160-P196 HydrophobicContact CE1-CG 4.21Å; F160-V202 HydrophobicContact CE1-CG2 4.41Å; F160-C219 CarbonylContact C-O 3.55Å; F160-C219 WeakPolarHBondContact CA-O 3.31Å; F160-C219 HydrophobicContact CD1-CB 3.79Å; F160-C219 HydrophobicContact CE1-CB 4.06Å; F160-Y221 HydrophobicContact CB-CE1 3.93Å |
| 161 | L | 92.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115.2 | 177.6 | -66.4 | -171.7 | 0 | 0 | 0 | 110.6 | Y115 R191 R192 V218 C219 F220 Y221 | Y115-L161 HydrophobicContact CD2-CD1 4.32Å; Y115-L161 HydrophobicContact CE2-CD1 3.68Å; L161-R191 WeakPolarHBondContact CA-O 3.43Å; L161-R192 HydrophobicContact CD2-CB 4.24Å; L161-R192 HydrophobicContact CD2-CG 3.45Å; L161-R192 VanDerWaalsContact CD2-CG 3.45Å; L161-V218 HydrophobicContact CD1-CG1 3.44Å; L161-V218 VanDerWaalsContact CD1-CG1 3.44Å; L161-V218 HydrophobicContact CG-CG1 3.76Å; L161-C219 PolarHBondContact N-O 2.8Å; L161-F220 HydrophobicContact CB-CD1 3.9Å; L161-F220 HydrophobicContact CB-CE1 3.95Å; L161-F220 HydrophobicContact CB-CG 4.47Å; L161-F220 HydrophobicContact CD1-CD1 4.41Å; L161-F220 HydrophobicContact CD1-CE1 3.61Å; L161-F220 HydrophobicContact CD1-CZ 3.72Å; L161-F220 HydrophobicContact CG-CE1 4.38Å; L161-F220 WeakPolarHBondContact O-CA 3.4Å; L161-Y221 WeakPolarHBondContact O-CD1 3.34Å; L161-Y221 PolarHBondContact O-N 2.9Å |
| 162 | G | 91.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T190 R191 Y221 | G162-T190 CarbonylContact O-C 3.6Å; G162-T190 VanDerWaalsContact O-CA 3.25Å; G162-T190 WeakPolarHBondContact O-CA 3.33Å; G162-R191 PolarHBondContact N-O 3.12Å; G162-R191 PolarHBondContact O-N 2.93Å; G162-Y221 CarbonylContact C-O 3.56Å; G162-Y221 VanDerWaalsContact CA-O 3.31Å; G162-Y221 WeakPolarHBondContact CA-O 3.48Å |
| 163 | V | 90.9 | Very high | 85.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.7 | 170.7 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | Y124 H188 T190 F220 Y221 Y222 L223 | Y124-V163 HydrophobicContact CD1-CG1 4.21Å; Y124-V163 HydrophobicContact CD1-CG2 3.75Å; Y124-V163 HydrophobicContact CE1-CB 4.47Å; Y124-V163 HydrophobicContact CE1-CG1 4Å; Y124-V163 HydrophobicContact CE1-CG2 3.57Å; V163-H188 HydrophobicContact CG1-CB 3.71Å; V163-T190 HydrophobicContact CG2-CG2 4.19Å; V163-F220 HydrophobicContact CG2-CD1 4.45Å; V163-Y221 PolarHBondContact N-O 3.39Å; V163-Y222 HydrophobicContact CB-CD1 3.81Å; V163-Y222 HydrophobicContact CB-CE1 4.04Å; V163-Y222 HydrophobicContact CB-CG 4.5Å; V163-Y222 HydrophobicContact CG1-CD1 3.95Å; V163-Y222 HydrophobicContact CG1-CE1 3.8Å; V163-Y222 HydrophobicContact CG2-CD1 4.47Å; V163-Y222 HydrophobicContact CG2-CE1 4.43Å; V163-L223 PolarHBondContact O-N 3.03Å |
| 164 | M | 88.3 | Confident | 86.4 | Confident | 53 Ų | 53 | 54 Ų | 54 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.1 | -176.3 | -69.8 | -179.2 | 63.7 | 0 | 0 | 110.5 | S167 W189 R191 L223 | M164-S167 WeakPolarHBondContact CB-OG 3.33Å; M164-S167 PolarHBondContact O-OG 2.76Å; M164-W189 PolarHBondContact N-O 3.01Å; M164-W189 HydrophobicContact SD-CB 4.37Å; M164-R191 HydrophobicContact SD-CB 4.29Å; M164-L223 HydrophobicContact CG-CD1 4.03Å |
| 165 | G | 80.4 | Confident | 87.1 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 143 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S167 | G165-S167 PolarHBondContact O-N 2.88Å; G165-S167 VanDerWaalsContact O-N 3.08Å |
| 166 | G | 76.8 | Confident | 87.6 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 88% | 0.876 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 66.9 | 5.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q168 | G166-Q168 PolarHBondContact O-N 3.34Å |
| 167 | S | 78.7 | Confident | 88 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 41.4 | -177 | 66.8 | 0 | 0 | 0 | 0 | 113 | M164 G165 V169 W189 | M164-S167 WeakPolarHBondContact CB-OG 3.33Å; M164-S167 PolarHBondContact O-OG 2.76Å; G165-S167 PolarHBondContact O-N 2.88Å; G165-S167 VanDerWaalsContact O-N 3.08Å; S167-V169 PolarHBondContact O-N 3.21Å; S167-W189 PolarHBondContact O-N 3.43Å |
| 168 | Q | 85.3 | Confident | 88.2 | Confident | 134 Ų | 134 | 52 Ų | 52 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.7 | 178.4 | -168 | 174.5 | 12.2 | 0 | 0 | 109.6 | G166 I187 | G166-Q168 PolarHBondContact O-N 3.34Å; Q168-I187 CarbonylContact C-O 3.49Å; Q168-I187 VanDerWaalsContact CA-O 3.29Å; Q168-I187 WeakPolarHBondContact CA-O 3.41Å |
| 169 | V | 90 | Very high | 88.4 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.1 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | L125 S167 V171 L174 I187 W189 | L125-V169 HydrophobicContact CD2-CG2 4.48Å; S167-V169 PolarHBondContact O-N 3.21Å; V169-V171 PolarHBondContact O-N 2.87Å; V169-L174 HydrophobicContact CG1-CD2 4.29Å; V169-I187 HydrophobicContact CB-CB 3.95Å; V169-I187 HydrophobicContact CB-CG2 3.83Å; V169-I187 HydrophobicContact CG2-CG2 4Å; V169-I187 PolarHBondContact N-O 3.44Å; V169-W189 HydrophobicContact CG2-CD2 4.26Å; V169-W189 HydrophobicContact CG2-CG 4.03Å; V169-W189 HydrophobicContact CG2-CZ2 4.46Å |
| 170 | D | 87.1 | Confident | 88.4 | Confident | 92 Ų | 92 | 52 Ų | 52 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 117.8 | 169.7 | 179.7 | 8 | 0 | 0 | 0 | 109.7 | S172 T173 | D170-S172 PolarHBondContact O-N 3.04Å; D170-S172 VanDerWaalsContact O-N 3.13Å; D170-S172 WeakPolarHBondContact OD1-CB 3.25Å; D170-S172 PolarHBondContact OD1-N 3.13Å; D170-S172 PolarHBondContact OD1-OG 2.89Å; D170-S172 PolarHBondContact OD2-OG 3.14Å; D170-T173 HydrophobicContact CB-CG2 3.96Å; D170-T173 WeakPolarHBondContact O-CB 3.04Å; D170-T173 PolarHBondContact O-N 2.95Å; D170-T173 PolarHBondContact O-OG1 2.87Å |
| 171 | V | 85.2 | Confident | 88.5 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -54.2 | -31.6 | 178.1 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | V169 T173 L174 Q179 I187 | V169-V171 PolarHBondContact O-N 2.87Å; V171-T173 PolarHBondContact O-N 3.44Å; V171-L174 PolarHBondContact O-N 3.14Å; V171-Q179 HydrophobicContact CG1-CG 4.15Å; V171-Q179 PolarHBondContact O-NE2 2.84Å; V171-I187 HydrophobicContact CB-CD1 3.95Å; V171-I187 HydrophobicContact CG1-CD1 4.28Å; V171-I187 HydrophobicContact CG2-CD1 3.42Å; V171-I187 VanDerWaalsContact CG2-CD1 3.42Å; V171-I187 HydrophobicContact CG2-CG1 4.19Å |
| 172 | S | 85 | Confident | 88.5 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -65.7 | -23.1 | -179.1 | 86.3 | 0 | 0 | 0 | 0 | 113.2 | D170 Q179 | D170-S172 PolarHBondContact O-N 3.04Å; D170-S172 VanDerWaalsContact O-N 3.13Å; D170-S172 WeakPolarHBondContact OD1-CB 3.25Å; D170-S172 PolarHBondContact OD1-N 3.13Å; D170-S172 PolarHBondContact OD1-OG 2.89Å; D170-S172 PolarHBondContact OD2-OG 3.14Å; S172-Q179 PolarHBondContact O-NE2 3.47Å |
| 173 | T | 88.8 | Confident | 88.4 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -86.4 | -11.6 | -179.4 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | D170 V171 | D170-T173 HydrophobicContact CB-CG2 3.96Å; D170-T173 WeakPolarHBondContact O-CB 3.04Å; D170-T173 PolarHBondContact O-N 2.95Å; D170-T173 PolarHBondContact O-OG1 2.87Å; V171-T173 PolarHBondContact O-N 3.44Å |
| 174 | L | 89 | Confident | 88.2 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -79.9 | 140.4 | 174.8 | -64.4 | -176.5 | 0 | 0 | 0 | 110.7 | L125 V169 V171 L178 Q179 I187 | L125-L174 HydrophobicContact CD2-CD2 3.95Å; V169-L174 HydrophobicContact CG1-CD2 4.29Å; V171-L174 PolarHBondContact O-N 3.14Å; L174-L178 HydrophobicContact CB-CB 4.27Å; L174-L178 HydrophobicContact CD1-CB 4.19Å; L174-Q179 HydrophobicContact CB-CB 4.2Å; L174-Q179 WeakPolarHBondContact O-CB 3.29Å; L174-Q179 PolarHBondContact O-NE2 2.95Å; L174-I187 HydrophobicContact CD1-CD1 3.42Å; L174-I187 VanDerWaalsContact CD1-CD1 3.42Å; L174-I187 HydrophobicContact CG-CD1 4.36Å |
| 175 | E | 90.7 | Very high | 88.3 | Confident | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 162.3 | 169.9 | -62.1 | -171.1 | -173.2 | 0 | 0 | 110.9 | H110 L178 Q179 | H110-E175 IonicContact CE1-OE2 3.79Å; H110-E175 PolarHBondContact CE1-OE2 2.84Å; H110-E175 VanDerWaalsContact CE1-OE2 3.31Å; H110-E175 IonicContact NE2-OE2 3.91Å; H110-E175 PolarHBondContact NE2-OE2 3.34Å; E175-L178 WeakPolarHBondContact O-CB 3.31Å; E175-L178 PolarHBondContact O-N 2.99Å; E175-L178 VanDerWaalsContact O-N 3.13Å; E175-Q179 PolarHBondContact O-N 2.93Å; E175-Q179 VanDerWaalsContact O-N 3.08Å |
| 176 | E | 92.8 | Very high | 88.8 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 143 | 170.2 | -69.4 | -69.1 | -172.7 | 0 | 0 | 110.3 | A180 R183 | E176-A180 WeakPolarHBondContact OE2-CB 3.29Å; E176-A180 PolarHBondContact OE2-N 3.49Å; E176-A180 VanDerWaalsContact OE2-N 3.1Å; E176-R183 IonicContact OE1-NH2 2.69Å |
| 177 | P | 93.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 29% | 0.286 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95 | 3.6 | 6.9 | 26 | -15 | 0 | 0 | 0 | 115.1 | L89 L105 Q179 A180 L181 | L89-P177 HydrophobicContact CD1-CG 3.46Å; L89-P177 VanDerWaalsContact CD1-CG 3.46Å; L89-P177 HydrophobicContact CD2-CG 4.39Å; L105-P177 HydrophobicContact CD1-CG 4.31Å; L105-P177 HydrophobicContact CD2-CB 4.32Å; L105-P177 HydrophobicContact CD2-CG 3.87Å; P177-Q179 VanDerWaalsContact C-N 3.28Å; P177-Q179 PolarHBondContact O-N 3.28Å; P177-A180 PolarHBondContact O-N 2.8Å; P177-L181 PolarHBondContact O-N 3.27Å |
| 178 | L | 93.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 179.8 | -72.3 | 153.2 | 0 | 0 | 0 | 111.2 | L105 D107 L112 C114 L125 L174 E175 L181 C182 | L105-L178 HydrophobicContact CD2-CD2 3.84Å; L105-L178 HydrophobicContact CD2-CG 3.83Å; L105-L178 HydrophobicContact CG-CD2 4.43Å; D107-L178 HydrophobicContact CB-CD1 3.99Å; L112-L178 HydrophobicContact CB-CD1 4.31Å; L112-L178 HydrophobicContact CD1-CD1 3.98Å; C114-L178 HydrophobicContact CB-CD2 3.17Å; L125-L178 HydrophobicContact CD1-CD2 4.13Å; L174-L178 HydrophobicContact CB-CB 4.27Å; L174-L178 HydrophobicContact CD1-CB 4.19Å; E175-L178 WeakPolarHBondContact O-CB 3.31Å; E175-L178 PolarHBondContact O-N 2.99Å; E175-L178 VanDerWaalsContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 3.4Å; L178-C182 PolarHBondContact O-N 2.87Å |
| 179 | Q | 93.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 175.6 | -178.8 | 169.9 | 78.3 | 0 | 0 | 112.5 | V171 S172 L174 E175 P177 L181 C182 R183 | V171-Q179 HydrophobicContact CG1-CG 4.15Å; V171-Q179 PolarHBondContact O-NE2 2.84Å; S172-Q179 PolarHBondContact O-NE2 3.47Å; L174-Q179 HydrophobicContact CB-CB 4.2Å; L174-Q179 WeakPolarHBondContact O-CB 3.29Å; L174-Q179 PolarHBondContact O-NE2 2.95Å; E175-Q179 PolarHBondContact O-N 2.93Å; E175-Q179 VanDerWaalsContact O-N 3.08Å; P177-Q179 VanDerWaalsContact C-N 3.28Å; P177-Q179 PolarHBondContact O-N 3.28Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3Å; Q179-C182 CarbonylContact O-C 3.5Å; Q179-C182 PolarHBondContact O-N 3.3Å; Q179-R183 WeakPolarHBondContact O-CA 3.48Å; Q179-R183 PolarHBondContact O-N 3.41Å |
| 180 | A | 92.8 | Very high | 90.9 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E176 P177 C182 | E176-A180 WeakPolarHBondContact OE2-CB 3.29Å; E176-A180 PolarHBondContact OE2-N 3.49Å; E176-A180 VanDerWaalsContact OE2-N 3.1Å; P177-A180 PolarHBondContact O-N 2.8Å; A180-C182 PolarHBondContact O-N 2.87Å |
| 181 | L | 92.8 | Very high | 91.1 | Very high | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -33.1 | 179.4 | -177.7 | 59.9 | 0 | 0 | 0 | 112.5 | T103 L105 C114 K116 P177 L178 Q179 | T103-L181 HydrophobicContact CG2-CD1 3.76Å; T103-L181 HydrophobicContact CG2-CD2 4.28Å; L105-L181 HydrophobicContact CB-CD2 3.7Å; L105-L181 HydrophobicContact CD2-CD2 4.1Å; C114-L181 HydrophobicContact CB-CD2 4.3Å; K116-L181 HydrophobicContact CB-CD1 3.99Å; K116-L181 HydrophobicContact CB-CD2 4.3Å; K116-L181 HydrophobicContact CB-CG 4.06Å; K116-L181 HydrophobicContact CG-CD1 4.14Å; K116-L181 HydrophobicContact CG-CG 4.47Å; P177-L181 PolarHBondContact O-N 3.27Å; L178-L181 PolarHBondContact O-N 3.4Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3Å |
| 182 | C | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -114 | 12.9 | -173.8 | -65.3 | 0 | 0 | 0 | 0 | 115 | C114 C123 L178 Q179 A180 H184 S185 I187 | C114-C182 PolarHBondContact SG-SG 3.32Å; C123-C182 HydrophobicContact CB-CB 3.91Å; C123-C182 WeakPolarHBondContact CB-SG 3.35Å; C123-C182 VanDerWaalsContact SG-CA 3.55Å; C123-C182 WeakPolarHBondContact SG-CB 3.34Å; C123-C182 CovalentContact SG-SG 2.04Å; C123-C182 PolarHBondContact SG-SG 3.12Å; L178-C182 PolarHBondContact O-N 2.87Å; Q179-C182 CarbonylContact O-C 3.5Å; Q179-C182 PolarHBondContact O-N 3.3Å; A180-C182 PolarHBondContact O-N 2.87Å; C182-H184 PolarHBondContact O-N 3.08Å; C182-S185 PolarHBondContact O-N 3.21Å; C182-I187 HydrophobicContact CB-CD1 3.99Å; C182-I187 HydrophobicContact CB-CG1 3.86Å |
| 183 | R | 89.3 | Confident | 91.5 | Very high | 147 Ų | 147 | 60.2 Ų | 60.2 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -30 | -172 | -173.5 | 176.6 | -69.7 | -178.7 | -0.6 | 115.4 | E176 Q179 | E176-R183 IonicContact OE1-NH2 2.69Å; Q179-R183 WeakPolarHBondContact O-CA 3.48Å; Q179-R183 PolarHBondContact O-N 3.41Å |
| 184 | H | 87.8 | Confident | 91.1 | Very high | 172 Ų | 172 | 64 Ų | 64 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 33 | -178.7 | -50.6 | 109.3 | 0 | 0 | 0 | 112 | C182 | C182-H184 PolarHBondContact O-N 3.08Š|
| 185 | S | 90.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 12% | 0.119 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -138.3 | 144.5 | -175.8 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | K116 E121 C182 | K116-S185 PolarHBondContact NZ-OG 3.14Å; E121-S185 CarbonylContact O-C 3.57Å; E121-S185 WeakPolarHBondContact O-CA 3.33Å; E121-S185 WeakPolarHBondContact O-CB 3.49Å; C182-S185 PolarHBondContact O-N 3.21Å |
| 186 | S | 91.4 | Very high | 89.3 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137.7 | 166.7 | 79.7 | 0 | 0 | 0 | 0 | 108.8 | E121 N122 C123 H188 | E121-S186 PolarHBondContact O-N 2.97Å; N122-S186 CarbonylContact C-O 3.55Å; N122-S186 VanDerWaalsContact CA-O 3.24Å; N122-S186 WeakPolarHBondContact CA-O 3.31Å; N122-S186 PolarHBondContact OD1-OG 3.42Å; C123-S186 PolarHBondContact N-O 2.83Å; S186-H188 PolarHBondContact OG-NE2 2.93Å |
| 187 | I | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.6 | -178.2 | -58.1 | 153.2 | 0 | 0 | 0 | 108.2 | C123 L125 Q168 V169 V171 L174 C182 | C123-I187 HydrophobicContact CB-CB 4.41Å; C123-I187 HydrophobicContact CB-CG1 3.88Å; C123-I187 HydrophobicContact CB-CG2 4.43Å; C123-I187 WeakPolarHBondContact O-CA 3.43Å; L125-I187 HydrophobicContact CB-CG2 3.96Å; Q168-I187 CarbonylContact C-O 3.49Å; Q168-I187 VanDerWaalsContact CA-O 3.29Å; Q168-I187 WeakPolarHBondContact CA-O 3.41Å; V169-I187 HydrophobicContact CB-CB 3.95Å; V169-I187 HydrophobicContact CB-CG2 3.83Å; V169-I187 HydrophobicContact CG2-CG2 4Å; V169-I187 PolarHBondContact N-O 3.44Å; V171-I187 HydrophobicContact CB-CD1 3.95Å; V171-I187 HydrophobicContact CG1-CD1 4.28Å; V171-I187 HydrophobicContact CG2-CD1 3.42Å; V171-I187 VanDerWaalsContact CG2-CD1 3.42Å; V171-I187 HydrophobicContact CG2-CG1 4.19Å; L174-I187 HydrophobicContact CD1-CD1 3.42Å; L174-I187 VanDerWaalsContact CD1-CD1 3.42Å; L174-I187 HydrophobicContact CG-CD1 4.36Å; C182-I187 HydrophobicContact CB-CD1 3.99Å; C182-I187 HydrophobicContact CB-CG1 3.86Å |
| 188 | H | 93.1 | Very high | 86.2 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.2 | 178.2 | -60.4 | -88.7 | 0 | 0 | 0 | 110.2 | C123 Y124 L125 V163 S186 | C123-H188 PolarHBondContact O-N 3.43Å; Y124-H188 WeakPolarHBondContact CA-O 3.22Å; Y124-H188 HydrophobicContact CD1-CB 4.29Å; L125-H188 PolarHBondContact N-O 2.92Å; V163-H188 HydrophobicContact CG1-CB 3.71Å; S186-H188 PolarHBondContact OG-NE2 2.93Å |
| 189 | W | 94.1 | Very high | 84.3 | Confident | 76 Ų | 76 | 75.6 Ų | 75.6 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145.1 | 167.3 | -76.9 | 107.8 | 0 | 0 | 0 | 111.2 | L112 L125 K127 M164 S167 V169 | L112-W189 HydrophobicContact CD2-CH2 3.69Å; L112-W189 HydrophobicContact CD2-CZ3 3.97Å; L125-W189 HydrophobicContact CB-CD2 4.46Å; L125-W189 HydrophobicContact CB-CE3 4.01Å; L125-W189 HydrophobicContact CB-CZ3 4.11Å; L125-W189 HydrophobicContact CD2-CD2 4.35Å; L125-W189 HydrophobicContact CD2-CE3 4.13Å; L125-W189 HydrophobicContact CD2-CH2 3.35Å; L125-W189 HydrophobicContact CD2-CZ2 3.6Å; L125-W189 HydrophobicContact CD2-CZ3 3.65Å; L125-W189 HydrophobicContact CG-CE3 4.02Å; L125-W189 HydrophobicContact CG-CH2 3.84Å; L125-W189 HydrophobicContact CG-CZ2 4.45Å; L125-W189 HydrophobicContact CG-CZ3 3.59Å; L125-W189 CarbonylContact O-C 3.59Å; L125-W189 WeakPolarHBondContact O-CA 3.44Å; K127-W189 HydrophobicContact CG-CZ3 4.1Å; M164-W189 PolarHBondContact N-O 3.01Å; M164-W189 HydrophobicContact SD-CB 4.37Å; S167-W189 PolarHBondContact O-N 3.43Å; V169-W189 HydrophobicContact CG2-CD2 4.26Å; V169-W189 HydrophobicContact CG2-CG 4.03Å; V169-W189 HydrophobicContact CG2-CZ2 4.46Å |
| 190 | T | 93.6 | Very high | 82.8 | Confident | 10 Ų | 10 | 77.6 Ų | 77.6 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.4 | 174.3 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | Y124 L125 S126 G162 V163 F220 | Y124-T190 HydrophobicContact CD1-CG2 3.95Å; Y124-T190 HydrophobicContact CG-CG2 4.25Å; L125-T190 PolarHBondContact O-N 2.98Å; L125-T190 PolarHBondContact O-OG1 3.44Å; S126-T190 WeakPolarHBondContact CB-OG1 3.47Å; G162-T190 CarbonylContact O-C 3.6Å; G162-T190 VanDerWaalsContact O-CA 3.25Å; G162-T190 WeakPolarHBondContact O-CA 3.33Å; V163-T190 HydrophobicContact CG2-CG2 4.19Å; T190-F220 HydrophobicContact CG2-CD1 4.2Å; T190-F220 HydrophobicContact CG2-CE1 4.11Å |
| 191 | R | 91.1 | Very high | 82 | Confident | 137 Ų | 137 | 83 Ų | 83 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.8 | 178.1 | -174.4 | -176.1 | -67.7 | 177.8 | -1.7 | 110.3 | L161 G162 M164 | L161-R191 WeakPolarHBondContact CA-O 3.43Å; G162-R191 PolarHBondContact N-O 3.12Å; G162-R191 PolarHBondContact O-N 2.93Å; M164-R191 HydrophobicContact SD-CB 4.29Å |
| 192 | R | 91.2 | Very high | 81.5 | Confident | 37 Ų | 37 | 83.8 Ų | 83.8 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 141.4 | 169.9 | -80.5 | -177.1 | 171.2 | 142.6 | 11.8 | 112 | E129 D132 E159 F160 L161 | E129-R192 VanDerWaalsContact CB-NH1 3.27Å; E129-R192 VanDerWaalsContact CG-NH1 3.31Å; E129-R192 VanDerWaalsContact OE2-CD 3.28Å; E129-R192 WeakPolarHBondContact OE2-CD 3.31Å; E129-R192 IonicContact OE2-CZ 3.31Å; E129-R192 IonicContact OE2-NE 2.74Å; E129-R192 IonicContact OE2-NH1 3.48Å; E129-R192 PolarHBondContact OE2-NH1 3.15Å; D132-R192 IonicContact OD1-CZ 3.86Å; D132-R192 IonicContact OD1-NH1 3.19Å; D132-R192 IonicContact OD1-NH2 2.82Å; D132-R192 PolarHBondContact OD1-NH2 3.23Å; D132-R192 IonicContact OD2-CZ 3.1Å; D132-R192 VanDerWaalsContact OD2-CZ 3.28Å; D132-R192 IonicContact OD2-NH1 3.58Å; D132-R192 PolarHBondContact OD2-NH1 2.81Å; D132-R192 IonicContact OD2-NH2 3.6Å; D132-R192 PolarHBondContact OD2-NH2 2.8Å; E159-R192 IonicContact OE1-CZ 2.78Å; E159-R192 IonicContact OE1-NH2 3Å; E159-R192 IonicContact OE2-CZ 3.7Å; E159-R192 IonicContact OE2-NE 3.96Å; E159-R192 PolarHBondContact OE2-NE 3.46Å; E159-R192 IonicContact OE2-NH2 3.28Å; E159-R192 PolarHBondContact OE2-NH2 3.05Å; F160-R192 CarbonylContact O-C 3.56Å; F160-R192 WeakPolarHBondContact O-CA 3.31Å; L161-R192 HydrophobicContact CD2-CB 4.24Å; L161-R192 HydrophobicContact CD2-CG 3.45Å; L161-R192 VanDerWaalsContact CD2-CG 3.45Å |
| 193 | Q | 86.7 | Confident | 81 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153.1 | -178.9 | -66.7 | -70.6 | -63.5 | 0 | 0 | 109.2 | F160 G195 Y221 | F160-Q193 PolarHBondContact O-N 3.47Å; Q193-G195 PolarHBondContact O-N 3.32Å; Q193-G195 VanDerWaalsContact O-N 3.07Å; Q193-Y221 HydrophobicContact CB-CE1 4.34Å; Q193-Y221 WeakPolarHBondContact CB-OH 3.43Å; Q193-Y221 WeakPolarHBondContact CG-OH 3.44Å |
| 194 | D | 81.8 | Confident | 80.8 | Confident | 178 Ų | 178 | 84.1 Ų | 84.1 | 95% | 0.952 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -65.5 | -12.8 | 179.2 | -61.4 | -37.8 | 0 | 0 | 0 | 113 | ||
| 195 | G | 74.1 | Confident | 80.9 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | trans | 151.1 | 169.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q193 G197 Y221 | Q193-G195 PolarHBondContact O-N 3.32Å; Q193-G195 VanDerWaalsContact O-N 3.07Å; G195-G197 PolarHBondContact O-N 3.13Å; G195-G197 VanDerWaalsContact O-N 3.13Å; G195-Y221 PolarHBondContact O-OH 3.09Å | ||
| 196 | P | 66.6 | Low | 80.8 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | trans | -60.5 | 119.8 | 167.8 | 26.3 | -32.4 | 0 | 0 | 0 | 108 | F160 R200 V202 | F160-P196 VanDerWaalsContact CD1-CD 3.41Å; F160-P196 HydrophobicContact CD1-CG 4.35Å; F160-P196 HydrophobicContact CE1-CG 4.21Å; P196-R200 HydrophobicContact CB-CB 3.95Å; P196-V202 HydrophobicContact CG-CG2 4.13Å | ||
| 197 | G | 65 | Low | 80.6 | Confident | 45 Ų | 45 | 78.3 Ų | 78.3 | 46% | 0.464 | 39% | 0.385 | S | S | . | . | trans | -55.1 | 171.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G195 Q199 R200 | G195-G197 PolarHBondContact O-N 3.13Å; G195-G197 VanDerWaalsContact O-N 3.13Å; G197-Q199 PolarHBondContact O-N 3.44Å; G197-R200 PolarHBondContact O-N 3.46Å | ||
| 198 | K | 57.3 | Low | 80.4 | Confident | 224 Ų | 224 | 78.4 Ų | 78.4 | 97% | 0.974 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -3.1 | -165.2 | -79.8 | -173.6 | 175.4 | -179.5 | 0 | 118.8 | ||
| 199 | Q | 52.5 | Low | 80.1 | Confident | 191 Ų | 191 | 77 Ų | 77 | 89% | 0.893 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.6 | 38 | -179.6 | -65 | -179.9 | -28.8 | 0 | 0 | 114.4 | G197 | G197-Q199 PolarHBondContact O-N 3.44Š|
| 200 | R | 63 | Low | 79.6 | Confident | 97 Ų | 97 | 73.6 Ų | 73.6 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | trans | -115.6 | 129.6 | 174.9 | -63 | -173.6 | -169.1 | 166.5 | 6.6 | 112.1 | P196 G197 Y221 P224 | P196-R200 HydrophobicContact CB-CB 3.95Å; G197-R200 PolarHBondContact O-N 3.46Å; R200-Y221 HydrophobicContact CB-CD2 4.13Å; R200-P224 VanDerWaalsContact NH1-CD 3.34Å | ||
| 201 | L | 74.8 | Confident | 78.8 | Confident | 162 Ų | 162 | 74.1 Ų | 74.1 | 85% | 0.848 | 37% | 0.37 | S | S | * | . | trans | -78.9 | 122.7 | 178.8 | -66.4 | 166.9 | 0 | 0 | 0 | 109.4 | Y203 | L201-Y203 PolarHBondContact O-N 2.91Š| ||
| 202 | V | 81.8 | Confident | 78 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | trans | -65.1 | 128.5 | 164.4 | 175.5 | 0 | 0 | 0 | 0 | 107.7 | F160 P196 C219 | F160-V202 HydrophobicContact CE1-CG2 4.41Å; P196-V202 HydrophobicContact CG-CG2 4.13Å; V202-C219 HydrophobicContact CG1-CB 3.82Å | ||
| 203 | Y | 81.6 | Confident | 77.4 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | trans | -86.9 | -46 | -176.6 | 178.3 | -128.9 | 0 | 0 | 0 | 112.1 | Q120 L201 F220 Y222 | Q120-Y203 VanDerWaalsContact NE2-CZ 3.28Å; Q120-Y203 PolarHBondContact NE2-OH 3.34Å; L201-Y203 PolarHBondContact O-N 2.91Å; Y203-F220 PolarHBondContact N-O 3.09Å; Y203-Y222 HydrophobicContact CD1-CE2 4.42Å | ||
| 204 | F | 87.1 | Confident | 77.2 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 13% | 0.127 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 165.6 | 170.5 | 66.1 | -86.2 | 0 | 0 | 0 | 110.4 | P117 Y124 I206 C219 F220 | P117-F204 HydrophobicContact CB-CE2 4.2Å; P117-F204 HydrophobicContact CB-CZ 4.32Å; P117-F204 HydrophobicContact CG-CD2 4.47Å; P117-F204 HydrophobicContact CG-CE1 4.2Å; P117-F204 HydrophobicContact CG-CE2 3.57Å; P117-F204 HydrophobicContact CG-CZ 3.43Å; P117-F204 VanDerWaalsContact CG-CZ 3.43Å; Y124-F204 AromaticContact CD2-CZ 3.89Å; Y124-F204 HydrophobicContact CD2-CZ 3.89Å; Y124-F204 AromaticContact CE2-CE1 3.75Å; Y124-F204 HydrophobicContact CE2-CE1 3.75Å; Y124-F204 AromaticContact CE2-CZ 3.5Å; Y124-F204 HydrophobicContact CE2-CZ 3.5Å; Y124-F204 VanDerWaalsContact CE2-CZ 3.5Å; F204-I206 HydrophobicContact CD2-CD1 4.45Å; F204-I206 HydrophobicContact CD2-CG1 4Å; F204-I206 HydrophobicContact CE2-CD1 3.86Å; F204-I206 HydrophobicContact CE2-CG1 3.89Å; F204-C219 WeakPolarHBondContact O-CA 3.37Å; F204-F220 HydrophobicContact CD1-CB 4.33Å; F204-F220 AromaticContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CE2 4.42Å; F204-F220 HydrophobicContact CE1-CB 3.84Å; F204-F220 HydrophobicContact CE1-CD2 4.19Å; F204-F220 HydrophobicContact CE1-CG 4.04Å; F204-F220 HydrophobicContact CE2-CB 4.35Å; F204-F220 AromaticContact CE2-CD2 3.17Å; F204-F220 HydrophobicContact CE2-CD2 3.17Å; F204-F220 AromaticContact CE2-CE2 3.53Å; F204-F220 HydrophobicContact CE2-CE2 3.53Å; F204-F220 AromaticContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CZ 4.42Å; F204-F220 HydrophobicContact CZ-CB 3.83Å; F204-F220 HydrophobicContact CZ-CD1 4.13Å; F204-F220 AromaticContact CZ-CD2 3.36Å; F204-F220 HydrophobicContact CZ-CD2 3.36Å; F204-F220 AromaticContact CZ-CE2 3.9Å; F204-F220 HydrophobicContact CZ-CE2 3.9Å; F204-F220 AromaticContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CG 3.49Å; F204-F220 VanDerWaalsContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CZ 4.47Å; F204-F220 PolarHBondContact O-N 3.09Å |
| 205 | C | 88.6 | Confident | 77.5 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 34% | 0.338 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 151 | 169.9 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | V218 C219 | C205-V218 CarbonylContact C-O 3.58Å; C205-V218 WeakPolarHBondContact CA-O 3.24Å; C205-C219 HydrophobicContact CB-CB 4.11Å; C205-C219 WeakPolarHBondContact CB-SG 3.34Å; C205-C219 VanDerWaalsContact SG-CA 3.59Å; C205-C219 WeakPolarHBondContact SG-CB 3.44Å; C205-C219 CovalentContact SG-SG 2.05Å; C205-C219 PolarHBondContact SG-SG 2.78Å |
| 206 | I | 88.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.3 | 172.4 | -57.2 | 173.4 | 0 | 0 | 0 | 107.7 | Y102 V104 Y115 P117 F204 I208 V218 F220 | Y102-I206 HydrophobicContact CD1-CD1 4.26Å; Y102-I206 HydrophobicContact CD1-CG1 4.04Å; Y102-I206 HydrophobicContact CG-CD1 4.46Å; Y102-I206 HydrophobicContact CG-CG1 4.22Å; Y102-I206 HydrophobicContact CG-CG2 4.41Å; V104-I206 HydrophobicContact CG2-CG2 4.23Å; Y115-I206 HydrophobicContact CD1-CD1 4.39Å; P117-I206 HydrophobicContact CG-CD1 4.45Å; F204-I206 HydrophobicContact CD2-CD1 4.45Å; F204-I206 HydrophobicContact CD2-CG1 4Å; F204-I206 HydrophobicContact CE2-CD1 3.86Å; F204-I206 HydrophobicContact CE2-CG1 3.89Å; I206-I208 HydrophobicContact CG2-CG1 4.02Å; I206-V218 PolarHBondContact N-O 3.47Å; I206-V218 PolarHBondContact O-N 3.34Å; I206-F220 HydrophobicContact CD1-CE2 4.24Å |
| 207 | D | 87.3 | Confident | 79.3 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.2 | 175.1 | -63.5 | -31 | 0 | 0 | 0 | 109.9 | V94 S217 | V94-D207 WeakPolarHBondContact CG1-O 3.43Å; D207-S217 WeakPolarHBondContact OD1-CA 3.45Å; D207-S217 WeakPolarHBondContact OD1-CB 3.32Å; D207-S217 PolarHBondContact OD1-OG 2.9Å |
| 208 | I | 88.2 | Confident | 80.6 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.8 | 179.1 | -50.4 | 169.2 | 0 | 0 | 0 | 108.2 | Y92 V104 Y115 I206 F210 C215 V216 V218 | Y92-I208 HydrophobicContact CD1-CG2 4.33Å; Y92-I208 HydrophobicContact CD2-CG2 4.15Å; Y92-I208 HydrophobicContact CE2-CG2 4.41Å; Y92-I208 HydrophobicContact CG-CG2 4.07Å; V104-I208 HydrophobicContact CB-CD1 4.15Å; V104-I208 HydrophobicContact CG1-CD1 3.96Å; V104-I208 HydrophobicContact CG2-CD1 3.78Å; V104-I208 HydrophobicContact CG2-CG1 4.28Å; Y115-I208 HydrophobicContact CE1-CD1 4.16Å; I206-I208 HydrophobicContact CG2-CG1 4.02Å; I208-F210 HydrophobicContact CG2-CE1 4.07Å; I208-F210 HydrophobicContact CG2-CE2 4.4Å; I208-F210 HydrophobicContact CG2-CZ 3.91Å; I208-C215 CarbonylContact O-C 3.57Å; I208-C215 VanDerWaalsContact O-CA 3.31Å; I208-C215 WeakPolarHBondContact O-CA 3.36Å; I208-V216 PolarHBondContact N-O 3.18Å; I208-V216 PolarHBondContact O-N 2.68Å; I208-V218 HydrophobicContact CD1-CG2 4.19Å |
| 209 | C | 86.2 | Confident | 82.2 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | V69 Q79 L150 I214 C215 | V69-C209 HydrophobicContact CB-CB 4.34Å; V69-C209 HydrophobicContact CG1-CB 4.28Å; V69-C209 HydrophobicContact CG2-CB 3.75Å; Q79-C209 PolarHBondContact NE2-O 2.61Å; L150-C209 HydrophobicContact CD2-CB 4.13Å; C209-I214 CarbonylContact C-O 3.5Å; C209-I214 WeakPolarHBondContact CA-O 3.28Å; C209-C215 HydrophobicContact CB-CB 4.14Å; C209-C215 WeakPolarHBondContact CB-SG 3.31Å; C209-C215 WeakPolarHBondContact SG-CB 3.38Å; C209-C215 CovalentContact SG-SG 2.05Å; C209-C215 PolarHBondContact SG-SG 3.09Å |
| 210 | F | 83.8 | Confident | 84.1 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 149 | 177.9 | -56.2 | -77.6 | 0 | 0 | 0 | 110.3 | Y92 F106 N135 M136 I208 S212 N213 I214 V216 | Y92-F210 HydrophobicContact CE2-CD1 4.13Å; Y92-F210 AromaticContact CE2-CE1 3.88Å; Y92-F210 HydrophobicContact CE2-CE1 3.88Å; Y92-F210 AromaticContact CZ-CD1 3.92Å; Y92-F210 VanDerWaalsContact OH-CD1 3.31Å; Y92-F210 WeakPolarHBondContact OH-CD1 3.42Å; F106-F210 HydrophobicContact CZ-CE1 4.32Å; F106-F210 HydrophobicContact CZ-CZ 4.31Å; N135-F210 HydrophobicContact CB-CD1 4.23Å; N135-F210 HydrophobicContact CB-CE1 4.28Å; N135-F210 HydrophobicContact CB-CG 4.45Å; N135-F210 HydrophobicContact CB-CZ 4.48Å; M136-F210 HydrophobicContact CE-CD1 3.62Å; M136-F210 HydrophobicContact CE-CE1 3.24Å; M136-F210 HydrophobicContact CE-CZ 4.3Å; I208-F210 HydrophobicContact CG2-CE1 4.07Å; I208-F210 HydrophobicContact CG2-CE2 4.4Å; I208-F210 HydrophobicContact CG2-CZ 3.91Å; F210-S212 WeakPolarHBondContact CB-OG 3.41Å; F210-S212 PolarHBondContact O-N 3.47Å; F210-N213 PolarHBondContact O-N 3.2Å; F210-N213 VanDerWaalsContact O-N 3.17Å; F210-I214 HydrophobicContact CD2-CB 4.49Å; F210-I214 HydrophobicContact CD2-CG2 4.48Å; F210-I214 WeakPolarHBondContact CD2-O 3.4Å; F210-I214 PolarHBondContact N-O 3Å; F210-V216 HydrophobicContact CD2-CG2 4.31Å; F210-V216 HydrophobicContact CE2-CB 4.27Å; F210-V216 HydrophobicContact CE2-CG2 3.65Å |
| 211 | P | 77.1 | Confident | 85.3 | Confident | 21 Ų | 21 | 34 Ų | 34 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -14.9 | 175.8 | -29.5 | 39.1 | 0 | 0 | 0 | 115.1 | I67 L139 M144 N213 | I67-P211 HydrophobicContact CD1-CG 3.85Å; L139-P211 HydrophobicContact CD2-CG 3.51Å; M144-P211 HydrophobicContact CE-CB 3.91Å; M144-P211 HydrophobicContact CE-CG 4.27Å; P211-N213 PolarHBondContact O-N 3.02Å; P211-N213 VanDerWaalsContact O-N 3.11Å |
| 212 | S | 75.8 | Confident | 85.8 | Confident | 54 Ų | 54 | 31.8 Ų | 31.8 | 38% | 0.378 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 14.1 | 172.8 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | F210 I214 | F210-S212 WeakPolarHBondContact CB-OG 3.41Å; F210-S212 PolarHBondContact O-N 3.47Å; S212-I214 PolarHBondContact O-N 2.95Å |
| 213 | N | 77.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 30.8 Ų | 30.8 | 37% | 0.374 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 23.8 | -173.4 | -64.7 | -38.6 | 0 | 0 | 0 | 114.4 | L150 T154 Q155 F210 P211 | L150-N213 WeakPolarHBondContact CG-OD1 3.5Å; T154-N213 CarbonylContact C-O 3.59Å; T154-N213 WeakPolarHBondContact CA-O 3.37Å; T154-N213 HydrophobicContact CG2-CB 4.45Å; Q155-N213 PolarHBondContact N-O 3.1Å; F210-N213 PolarHBondContact O-N 3.2Å; F210-N213 VanDerWaalsContact O-N 3.17Å; P211-N213 PolarHBondContact O-N 3.02Å; P211-N213 VanDerWaalsContact O-N 3.11Å |
| 214 | I | 83.7 | Confident | 84.9 | Confident | 37 Ų | 37 | 28.9 Ų | 28.9 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.9 | 175.7 | -60.1 | 171.9 | 0 | 0 | 0 | 108.4 | Q155 C209 F210 S212 V216 | Q155-I214 CarbonylContact O-C 3.52Å; Q155-I214 WeakPolarHBondContact O-CA 3.44Å; C209-I214 CarbonylContact C-O 3.5Å; C209-I214 WeakPolarHBondContact CA-O 3.28Å; F210-I214 HydrophobicContact CD2-CB 4.49Å; F210-I214 HydrophobicContact CD2-CG2 4.48Å; F210-I214 WeakPolarHBondContact CD2-O 3.4Å; F210-I214 PolarHBondContact N-O 3Å; S212-I214 PolarHBondContact O-N 2.95Å; I214-V216 HydrophobicContact CG2-CG2 4.18Å |
| 215 | C | 86.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.6 | 169.7 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | Q155 R156 Q157 I208 C209 | Q155-C215 PolarHBondContact O-N 3.44Å; R156-C215 WeakPolarHBondContact CA-O 3.32Å; R156-C215 HydrophobicContact CG-CB 4.15Å; Q157-C215 PolarHBondContact N-O 3.11Å; I208-C215 CarbonylContact O-C 3.57Å; I208-C215 VanDerWaalsContact O-CA 3.31Å; I208-C215 WeakPolarHBondContact O-CA 3.36Å; C209-C215 HydrophobicContact CB-CB 4.14Å; C209-C215 WeakPolarHBondContact CB-SG 3.31Å; C209-C215 WeakPolarHBondContact SG-CB 3.38Å; C209-C215 CovalentContact SG-SG 2.05Å; C209-C215 PolarHBondContact SG-SG 3.09Å |
| 216 | V | 89 | Confident | 83.4 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.3 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | Q157 E159 I208 F210 I214 V218 | Q157-V216 HydrophobicContact CG-CB 4.32Å; Q157-V216 HydrophobicContact CG-CG1 4.27Å; Q157-V216 HydrophobicContact CG-CG2 3.69Å; Q157-V216 CarbonylContact O-C 3.54Å; Q157-V216 WeakPolarHBondContact O-CA 3.35Å; E159-V216 HydrophobicContact CB-CG1 4.19Å; E159-V216 HydrophobicContact CG-CG1 3.77Å; I208-V216 PolarHBondContact N-O 3.18Å; I208-V216 PolarHBondContact O-N 2.68Å; F210-V216 HydrophobicContact CD2-CG2 4.31Å; F210-V216 HydrophobicContact CE2-CB 4.27Å; F210-V216 HydrophobicContact CE2-CG2 3.65Å; I214-V216 HydrophobicContact CG2-CG2 4.18Å; V216-V218 HydrophobicContact CG1-CG2 3.86Å |
| 217 | S | 89.8 | Confident | 83.2 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.9 | 169.2 | -162.8 | 0 | 0 | 0 | 0 | 108.7 | Q157 T158 E159 D207 | Q157-S217 PolarHBondContact O-N 3.01Å; T158-S217 WeakPolarHBondContact CA-O 3.34Å; E159-S217 PolarHBondContact N-O 2.85Å; D207-S217 WeakPolarHBondContact OD1-CA 3.45Å; D207-S217 WeakPolarHBondContact OD1-CB 3.32Å; D207-S217 PolarHBondContact OD1-OG 2.9Å |
| 218 | V | 92.1 | Very high | 82.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.5 | -178.5 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | Y115 E159 L161 C205 I206 I208 V216 F220 | Y115-V218 HydrophobicContact CE1-CB 4.43Å; Y115-V218 HydrophobicContact CE1-CG1 4.09Å; Y115-V218 HydrophobicContact CE1-CG2 4.26Å; E159-V218 WeakPolarHBondContact O-CA 3.44Å; L161-V218 HydrophobicContact CD1-CG1 3.44Å; L161-V218 VanDerWaalsContact CD1-CG1 3.44Å; L161-V218 HydrophobicContact CG-CG1 3.76Å; C205-V218 CarbonylContact C-O 3.58Å; C205-V218 WeakPolarHBondContact CA-O 3.24Å; I206-V218 PolarHBondContact N-O 3.47Å; I206-V218 PolarHBondContact O-N 3.34Å; I208-V218 HydrophobicContact CD1-CG2 4.19Å; V216-V218 HydrophobicContact CG1-CG2 3.86Å; V218-F220 HydrophobicContact CB-CE2 4.27Å; V218-F220 HydrophobicContact CG1-CD2 4.48Å; V218-F220 HydrophobicContact CG1-CE2 3.68Å; V218-F220 HydrophobicContact CG1-CZ 3.83Å |
| 219 | C | 91.7 | Very high | 82.6 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.5 | -174.6 | -68.1 | 0 | 0 | 0 | 0 | 112 | E159 F160 L161 V202 F204 C205 | E159-C219 PolarHBondContact O-N 2.77Å; F160-C219 CarbonylContact C-O 3.55Å; F160-C219 WeakPolarHBondContact CA-O 3.31Å; F160-C219 HydrophobicContact CD1-CB 3.79Å; F160-C219 HydrophobicContact CE1-CB 4.06Å; L161-C219 PolarHBondContact N-O 2.8Å; V202-C219 HydrophobicContact CG1-CB 3.82Å; F204-C219 WeakPolarHBondContact O-CA 3.37Å; C205-C219 HydrophobicContact CB-CB 4.11Å; C205-C219 WeakPolarHBondContact CB-SG 3.34Å; C205-C219 VanDerWaalsContact SG-CA 3.59Å; C205-C219 WeakPolarHBondContact SG-CB 3.44Å; C205-C219 CovalentContact SG-SG 2.05Å; C205-C219 PolarHBondContact SG-SG 2.78Å |
| 220 | F | 91.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 142 | -174.6 | -65.6 | -100.8 | 0 | 0 | 0 | 111.9 | Y115 Y124 L161 V163 T190 Y203 F204 I206 V218 | Y115-F220 AromaticContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD2-CE1 4.22Å; Y115-F220 AromaticContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CE1-CZ 4.43Å; Y115-F220 HydrophobicContact CE2-CZ 4.33Å; Y115-F220 HydrophobicContact CG-CE1 4.36Å; Y115-F220 AromaticContact CG-CZ 3.6Å; Y115-F220 HydrophobicContact CG-CZ 3.6Å; Y124-F220 HydrophobicContact CD1-CD1 4.3Å; Y124-F220 HydrophobicContact CD2-CD1 4.34Å; Y124-F220 HydrophobicContact CD2-CE1 4.22Å; Y124-F220 HydrophobicContact CG-CD1 4.03Å; Y124-F220 AromaticContact CG-CE1 3.88Å; Y124-F220 HydrophobicContact CG-CE1 3.88Å; L161-F220 HydrophobicContact CB-CD1 3.9Å; L161-F220 HydrophobicContact CB-CE1 3.95Å; L161-F220 HydrophobicContact CB-CG 4.47Å; L161-F220 HydrophobicContact CD1-CD1 4.41Å; L161-F220 HydrophobicContact CD1-CE1 3.61Å; L161-F220 HydrophobicContact CD1-CZ 3.72Å; L161-F220 HydrophobicContact CG-CE1 4.38Å; L161-F220 WeakPolarHBondContact O-CA 3.4Å; V163-F220 HydrophobicContact CG2-CD1 4.45Å; T190-F220 HydrophobicContact CG2-CD1 4.2Å; T190-F220 HydrophobicContact CG2-CE1 4.11Å; Y203-F220 PolarHBondContact N-O 3.09Å; F204-F220 HydrophobicContact CD1-CB 4.33Å; F204-F220 AromaticContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CE2 4.42Å; F204-F220 HydrophobicContact CE1-CB 3.84Å; F204-F220 HydrophobicContact CE1-CD2 4.19Å; F204-F220 HydrophobicContact CE1-CG 4.04Å; F204-F220 HydrophobicContact CE2-CB 4.35Å; F204-F220 AromaticContact CE2-CD2 3.17Å; F204-F220 HydrophobicContact CE2-CD2 3.17Å; F204-F220 AromaticContact CE2-CE2 3.53Å; F204-F220 HydrophobicContact CE2-CE2 3.53Å; F204-F220 AromaticContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CZ 4.42Å; F204-F220 HydrophobicContact CZ-CB 3.83Å; F204-F220 HydrophobicContact CZ-CD1 4.13Å; F204-F220 AromaticContact CZ-CD2 3.36Å; F204-F220 HydrophobicContact CZ-CD2 3.36Å; F204-F220 AromaticContact CZ-CE2 3.9Å; F204-F220 HydrophobicContact CZ-CE2 3.9Å; F204-F220 AromaticContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CG 3.49Å; F204-F220 VanDerWaalsContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CZ 4.47Å; F204-F220 PolarHBondContact O-N 3.09Å; I206-F220 HydrophobicContact CD1-CE2 4.24Å; V218-F220 HydrophobicContact CB-CE2 4.27Å; V218-F220 HydrophobicContact CG1-CD2 4.48Å; V218-F220 HydrophobicContact CG1-CE2 3.68Å; V218-F220 HydrophobicContact CG1-CZ 3.83Å |
| 221 | Y | 89.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155 | 173.8 | 68.5 | -77.2 | 0 | 0 | 0 | 111.1 | F160 L161 G162 V163 Q193 G195 R200 L223 | F160-Y221 HydrophobicContact CB-CE1 3.93Å; L161-Y221 WeakPolarHBondContact O-CD1 3.34Å; L161-Y221 PolarHBondContact O-N 2.9Å; G162-Y221 CarbonylContact C-O 3.56Å; G162-Y221 VanDerWaalsContact CA-O 3.31Å; G162-Y221 WeakPolarHBondContact CA-O 3.48Å; V163-Y221 PolarHBondContact N-O 3.39Å; Q193-Y221 HydrophobicContact CB-CE1 4.34Å; Q193-Y221 WeakPolarHBondContact CB-OH 3.43Å; Q193-Y221 WeakPolarHBondContact CG-OH 3.44Å; G195-Y221 PolarHBondContact O-OH 3.09Å; R200-Y221 HydrophobicContact CB-CD2 4.13Å; Y221-L223 HydrophobicContact CD2-CD2 4.4Å; Y221-L223 HydrophobicContact CE2-CD2 3.65Å |
| 222 | Y | 85.3 | Confident | 82.7 | Confident | 117 Ų | 117 | 49 Ų | 49 | 46% | 0.459 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 138.9 | 178.4 | -69.6 | -83.5 | 0 | 0 | 0 | 111.8 | V163 Y203 | V163-Y222 HydrophobicContact CB-CD1 3.81Å; V163-Y222 HydrophobicContact CB-CE1 4.04Å; V163-Y222 HydrophobicContact CB-CG 4.5Å; V163-Y222 HydrophobicContact CG1-CD1 3.95Å; V163-Y222 HydrophobicContact CG1-CE1 3.8Å; V163-Y222 HydrophobicContact CG2-CD1 4.47Å; V163-Y222 HydrophobicContact CG2-CE1 4.43Å; Y203-Y222 HydrophobicContact CD1-CE2 4.42Å |
| 223 | L | 76.9 | Confident | 83.2 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 134.8 | 168.4 | -59.4 | 177.5 | 0 | 0 | 0 | 109 | V163 M164 Y221 | V163-L223 PolarHBondContact O-N 3.03Å; M164-L223 HydrophobicContact CG-CD1 4.03Å; Y221-L223 HydrophobicContact CD2-CD2 4.4Å; Y221-L223 HydrophobicContact CE2-CD2 3.65Å |
| 224 | P | 68.2 | Low | 83.7 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -66.5 | 144.7 | 169.4 | 29.6 | -31.6 | 0 | 0 | 0 | 109.3 | R200 | R200-P224 VanDerWaalsContact NH1-CD 3.34Š|
| 225 | E | 60.9 | Low | 83.7 | Confident | 239 Ų | 239 | 47.7 Ų | 47.7 | 100% | 1.117 | 24% | 0.239 | S | C | * | . | trans | -65.8 | 0 | 172.8 | -61.5 | -177.7 | 172 | 0 | 0 | 112.2 |
Retrieved 225 of 225 residues in 39.5 ms
(Link to these results)