| 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 | 50.9 | Low | 52 | Low | 250 Ų | 250 | 148.6 Ų | 148.6 | 100% | 1.232 | 88% | 0.879 | S | S | * | * | 0 | 98.4 | 0 | -73.4 | 170.1 | 155.1 | 0 | 0 | 107.9 | |||||
| 2 | S | 56.1 | Low | 52 | Low | 124 Ų | 124 | 152.8 Ų | 152.8 | 87% | 0.867 | 88% | 0.877 | S | S | * | * | trans | -133.7 | 114 | 167.5 | -177.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | L | 56.6 | Low | 51.6 | Low | 164 Ų | 164 | 153.6 Ų | 153.6 | 86% | 0.859 | 87% | 0.869 | S | S | * | * | trans | -87.3 | 148.4 | -176.1 | -84.7 | 163 | 0 | 0 | 0 | 110.4 | ||||
| 4 | Q | 45.4 | Very low | 51.2 | Low | 184 Ų | 184 | 150.7 Ų | 150.7 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | trans | -64.8 | 158.8 | -174.1 | -65.1 | 153.9 | -35.7 | 0 | 0 | 113.8 | ||||
| 5 | G | 49.2 | Very low | 51 | Low | 80 Ų | 80 | 150.1 Ų | 150.1 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | trans | -163 | 102.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 6 | T | 51.1 | Low | 50.4 | Low | 145 Ų | 145 | 147.4 Ų | 147.4 | 89% | 0.89 | 85% | 0.852 | S | S | * | * | trans | -76.4 | 146.5 | -176.1 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | A | 56.3 | Low | 49.8 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | trans | -121.6 | 122 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | S | 60 | Low | 49.2 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 143.5 | -174.7 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 9 | T | 54.5 | Low | 48.6 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 141.2 | 170.1 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 10 | P | 56.8 | Low | 48.1 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 127.1 | 171 | 31.5 | -30.1 | 0 | 0 | 0 | 111.6 | ||
| 11 | Y | 35.5 | Very low | 47.6 | Very low | 206 Ų | 206 | 137.8 Ų | 137.8 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73 | 126.6 | 167.4 | -178.3 | -98.6 | 0 | 0 | 0 | 109.5 | ||
| 12 | K | 51.7 | Low | 47 | Very low | 198 Ų | 198 | 135 Ų | 135 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 116.5 | 175 | -81.8 | -175.3 | 175.4 | -176.3 | 0 | 109.9 | ||
| 13 | E | 46.6 | Very low | 46.6 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 138 | 167.8 | -72.4 | -177.1 | 148.4 | 0 | 0 | 111.3 | ||
| 14 | P | 46.3 | Very low | 45.7 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -83 | 113.1 | 163.3 | 31.4 | -28 | 0 | 0 | 0 | 109.5 | S16 | P14-S16 PolarHBondContact O-N 2.94Š| ||
| 15 | V | 47.7 | Very low | 45.6 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 98.1 | 166.2 | -92.3 | 0 | 0 | 0 | 0 | 109.3 | A17 | V15-A17 PolarHBondContact O-N 2.8Å; V15-A17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | S | 41.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -68.9 | 96.4 | 165.5 | 58.1 | 0 | 0 | 0 | 0 | 108.9 | P14 I18 | P14-S16 PolarHBondContact O-N 2.94Å; S16-I18 PolarHBondContact O-N 3.06Å | ||
| 17 | A | 40.5 | Very low | 45 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | trans | -71 | 109.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V15 Q19 | V15-A17 PolarHBondContact O-N 2.8Å; V15-A17 VanDerWaalsContact O-N 3.07Å; A17-Q19 PolarHBondContact O-N 3.23Å; A17-Q19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | I | 40 | Very low | 44.3 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 82% | 0.821 | 72% | 0.723 | S | S | * | * | trans | -62.9 | 108 | 170.1 | -66.1 | 164.1 | 0 | 0 | 0 | 107.6 | S16 A20 | S16-I18 PolarHBondContact O-N 3.06Å; I18-A20 PolarHBondContact O-N 3.33Å | ||
| 19 | Q | 37.8 | Very low | 43.4 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 33% | 0.327 | 72% | 0.718 | S | S | . | * | trans | -88.2 | 104.1 | 173.7 | -151.2 | 175.5 | -72.5 | 0 | 0 | 108.4 | A17 F21 | A17-Q19 PolarHBondContact O-N 3.23Å; A17-Q19 VanDerWaalsContact O-N 3.14Å; Q19-F21 WeakPolarHBondContact O-CD2 3.33Å; Q19-F21 PolarHBondContact O-N 3.11Å | ||
| 20 | A | 38.7 | Very low | 42.5 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 72% | 0.717 | S | S | * | * | trans | -69.8 | 113.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I18 | I18-A20 PolarHBondContact O-N 3.33Š| ||
| 21 | F | 37.5 | Very low | 41.5 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 49% | 0.491 | 72% | 0.72 | S | S | . | * | trans | -79.3 | 119.7 | 172.3 | -73.3 | -93.4 | 0 | 0 | 0 | 109.7 | Q19 I23 | Q19-F21 WeakPolarHBondContact O-CD2 3.33Å; Q19-F21 PolarHBondContact O-N 3.11Å; F21-I23 HydrophobicContact CB-CG1 4.16Å; F21-I23 PolarHBondContact O-N 3.05Å | ||
| 22 | F | 38 | Very low | 41.5 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -90.8 | 85.7 | 163.1 | -138.5 | -94.5 | 0 | 0 | 0 | 107.8 | K24 | F22-K24 PolarHBondContact O-N 2.7Š| ||
| 23 | I | 48.1 | Very low | 41.2 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | -76.6 | 107.2 | 170.7 | -57.8 | 175.9 | 0 | 0 | 0 | 106.6 | F21 | F21-I23 HydrophobicContact CB-CG1 4.16Å; F21-I23 PolarHBondContact O-N 3.05Å | ||
| 24 | K | 36.1 | Very low | 40.9 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | trans | -68.4 | 125.6 | 160.9 | -71.6 | -172.9 | 178.6 | 177.3 | 0 | 107 | F22 T26 | F22-K24 PolarHBondContact O-N 2.7Å; K24-T26 PolarHBondContact O-N 2.94Å | ||
| 25 | P | 43.3 | Very low | 40.5 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | trans | -65.7 | 108.5 | 171.7 | 26.7 | -31.1 | 0 | 0 | 0 | 107.8 | S27 W38 | P25-S27 PolarHBondContact O-N 3.35Å; P25-W38 HydrophobicContact CG-CH2 4.34Å; P25-W38 HydrophobicContact CG-CZ2 4.49Å | ||
| 26 | T | 45.4 | Very low | 40.3 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 45% | 0.454 | 73% | 0.733 | S | S | . | * | trans | -66.6 | 116 | 166.4 | 43.1 | 0 | 0 | 0 | 0 | 107.1 | K24 V28 E127 | K24-T26 PolarHBondContact O-N 2.94Å; T26-V28 PolarHBondContact O-N 3.02Å; T26-E127 HydrophobicContact CG2-CG 3.4Å | ||
| 27 | S | 43.6 | Very low | 40.1 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | trans | -53.9 | 123.4 | -175.5 | 55.6 | 0 | 0 | 0 | 0 | 112 | P25 I29 | P25-S27 PolarHBondContact O-N 3.35Å; S27-I29 PolarHBondContact O-N 2.67Å | ||
| 28 | V | 41.3 | Very low | 39.6 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | -72.9 | 107.6 | 148.9 | 179.5 | 0 | 0 | 0 | 0 | 105.7 | T26 C30 | T26-V28 PolarHBondContact O-N 3.02Å; V28-C30 PolarHBondContact O-N 3.26Å; V28-C30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | I | 41.3 | Very low | 39.8 | Very low | 141 Ų | 141 | 144 Ų | 144 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | trans | -74.7 | 97.1 | 174.6 | -71 | 165.7 | 0 | 0 | 0 | 107.1 | S27 | S27-I29 PolarHBondContact O-N 2.67Š| ||
| 30 | C | 35.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -99.9 | 125.4 | 156.1 | -114.6 | 0 | 0 | 0 | 0 | 107.4 | V28 R32 | V28-C30 PolarHBondContact O-N 3.26Å; V28-C30 VanDerWaalsContact O-N 3.09Å; C30-R32 PolarHBondContact O-N 2.65Å; C30-R32 VanDerWaalsContact O-N 3.07Å | ||
| 31 | L | 34.7 | Very low | 40.9 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -61.8 | 102.6 | -174.6 | -70.9 | 156.2 | 0 | 0 | 0 | 112.2 | ||
| 32 | R | 36.9 | Very low | 41.7 | Very low | 239 Ų | 239 | 150.9 Ų | 150.9 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -172 | 105.2 | 148.1 | -123.4 | 172.9 | 172.5 | -140.7 | -1 | 111.9 | C30 | C30-R32 PolarHBondContact O-N 2.65Å; C30-R32 VanDerWaalsContact O-N 3.07Å | ||
| 33 | S | 43.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 32.5 | 152 | 139.3 | -79.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 34 | P | 41.7 | Very low | 42.1 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -122 | 179.2 | -110.7 | 32.9 | -15.3 | 0 | 0 | 0 | 114.8 | |||||
| 35 | K | 38 | Very low | 43.1 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | 92.4 | 90.5 | 151.5 | -155 | 167.7 | -169.4 | 170.3 | 0 | 116.7 | ||||
| 36 | R | 42.3 | Very low | 43.4 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -151.1 | 137 | 143.5 | -72.7 | -156.4 | -154.7 | -115.9 | 2.7 | 113 | ||||
| 37 | R | 37.9 | Very low | 43.6 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -68.3 | 121.6 | -176.4 | -164.9 | 165.3 | 85.4 | -170.4 | 10 | 109.7 | S39 | R37-S39 PolarHBondContact O-N 3.01Š| ||
| 38 | W | 30.2 | Very low | 43.5 | Very low | 199 Ų | 199 | 161.1 Ų | 161.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -75.5 | 97.3 | 175.3 | -85.2 | 21 | 0 | 0 | 0 | 109.9 | P25 | P25-W38 HydrophobicContact CG-CH2 4.34Å; P25-W38 HydrophobicContact CG-CZ2 4.49Å | ||
| 39 | S | 43.8 | Very low | 43.9 | Very low | 83 Ų | 83 | 161.7 Ų | 161.7 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | trans | -162.7 | 133.5 | 152.7 | -150.1 | 0 | 0 | 0 | 0 | 106.8 | R37 | R37-S39 PolarHBondContact O-N 3.01Š| ||
| 40 | D | 46.5 | Very low | 43.9 | Very low | 146 Ų | 146 | 163.1 Ų | 163.1 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 110.1 | -8.5 | 152 | -45.5 | -26.1 | 0 | 0 | 0 | 120.8 | ||
| 41 | D | 53.9 | Low | 44.3 | Very low | 140 Ų | 140 | 164 Ų | 164 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -119.6 | 14.3 | -169.5 | -77.5 | -38.8 | 0 | 0 | 0 | 119 | ||||
| 42 | L | 53.5 | Low | 45.1 | Very low | 136 Ų | 136 | 163 Ų | 163 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -117.5 | 11.6 | -172 | -62.6 | 179.7 | 0 | 0 | 0 | 117.1 | I45 | L42-I45 HydrophobicContact CD2-CD1 3.98Š| ||
| 43 | W | 45.9 | Very low | 45.3 | Very low | 224 Ų | 224 | 159.9 Ų | 159.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -71.6 | -26.7 | 170 | 177.6 | -107.8 | 0 | 0 | 0 | 115.1 | I45 | W43-I45 PolarHBondContact O-N 3.07Š|
| 44 | P | 49.1 | Very low | 45.4 | Very low | 106 Ų | 106 | 165.1 Ų | 165.1 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -78.8 | -13.6 | -178.9 | -17.5 | 31.9 | 0 | 0 | 0 | 116.4 | ||
| 45 | I | 55.5 | Low | 45.3 | Very low | 119 Ų | 119 | 163.9 Ų | 163.9 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -90.7 | -17.7 | -174.5 | -62.7 | 172.6 | 0 | 0 | 0 | 112.2 | L42 W43 R47 R48 | L42-I45 HydrophobicContact CD2-CD1 3.98Å; W43-I45 PolarHBondContact O-N 3.07Å; I45-R47 PolarHBondContact O-N 3.03Å; I45-R48 PolarHBondContact O-N 3.14Å |
| 46 | A | 50.1 | Low | 45.7 | Very low | 77 Ų | 77 | 159 Ų | 159 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -2.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 47 | R | 49.3 | Very low | 45.7 | Very low | 210 Ų | 210 | 156.7 Ų | 156.7 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 6.4 | 178 | -84.1 | -171.1 | -174.7 | 161.6 | 2.4 | 115.6 | I45 | I45-R47 PolarHBondContact O-N 3.03Š|
| 48 | R | 42.6 | Very low | 46 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -91.9 | -2.5 | -178 | -155.6 | 167.8 | -173.9 | 137.7 | 1.7 | 115 | I45 | I45-R48 PolarHBondContact O-N 3.14Š|
| 49 | I | 48.7 | Very low | 46.3 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -95.2 | -8.3 | -176 | -61.6 | 175.6 | 0 | 0 | 0 | 112.7 | N51 | I49-N51 PolarHBondContact O-N 2.82Š|
| 50 | E | 42.9 | Very low | 46.5 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 18.1 | -179.1 | -68.5 | -176.9 | 166.1 | 0 | 0 | 115.4 | ||
| 51 | N | 42 | Very low | 46.3 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | 18.8 | -173.1 | -107 | -4.7 | 0 | 0 | 0 | 116.5 | I49 | I49-N51 PolarHBondContact O-N 2.82Š|
| 52 | I | 52.6 | Low | 45.7 | Very low | 147 Ų | 147 | 148 Ų | 148 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -91.1 | -13.7 | 178.1 | -63.4 | 177.5 | 0 | 0 | 0 | 113 | R54 | I52-R54 VanDerWaalsContact C-N 3.29Å; I52-R54 PolarHBondContact O-N 3.43Å |
| 53 | D | 40.9 | Very low | 45.7 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -89 | 27.4 | 177.9 | -75.2 | -35 | 0 | 0 | 0 | 114.9 | ||
| 54 | R | 45.6 | Very low | 45.6 | Very low | 226 Ų | 226 | 144.7 Ų | 144.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -138.7 | 57.9 | 177.3 | -158.8 | -177.6 | -178.9 | 123.8 | -0.6 | 112.4 | I52 | I52-R54 VanDerWaalsContact C-N 3.29Å; I52-R54 PolarHBondContact O-N 3.43Å | ||
| 55 | A | 40.9 | Very low | 45.4 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -141.1 | 67.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 56 | S | 45.3 | Very low | 44.7 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -67.5 | 139.5 | 158.1 | -46.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 57 | F | 42.6 | Very low | 44.4 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 78.7 | 81.2 | 167.1 | -47.7 | -76.4 | 0 | 0 | 0 | 117.2 | ||||
| 58 | S | 43.9 | Very low | 43.6 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -174.1 | 124.4 | 125.4 | 37.7 | 0 | 0 | 0 | 0 | 109.4 | P60 | S58-P60 WeakPolarHBondContact O-CD 3.24Š| |||
| 59 | S | 36.1 | Very low | 43.8 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -68.1 | 136.5 | -178 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 60 | P | 49.3 | Very low | 43.6 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 133.4 | 153.9 | 20.3 | -2 | 0 | 0 | 0 | 111.5 | S58 | S58-P60 WeakPolarHBondContact O-CD 3.24Š| ||
| 61 | T | 42.3 | Very low | 44 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -57.9 | 148.2 | -178.7 | -43.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 62 | S | 41 | Very low | 44.5 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -18.6 | 114.3 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 63 | A | 52.5 | Low | 44.6 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -156 | 138.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 64 | E | 44.5 | Very low | 45.7 | Very low | 192 Ų | 192 | 116.6 Ų | 116.6 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | -48.2 | 138.6 | -164.7 | -61 | 179.7 | 93.1 | 0 | 0 | 116.6 | G66 | E64-G66 PolarHBondContact O-N 3.26Š| ||
| 65 | P | 45.8 | Very low | 47.3 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -91.4 | 95.3 | 162.5 | 32.2 | -22.9 | 0 | 0 | 0 | 109.5 | A67 | P65-A67 PolarHBondContact O-N 3.03Š| ||
| 66 | G | 38.9 | Very low | 49.6 | Very low | 66 Ų | 66 | 107 Ų | 107 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -58.8 | 119.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E64 T68 | E64-G66 PolarHBondContact O-N 3.26Å; G66-T68 PolarHBondContact O-N 2.67Å | ||
| 67 | A | 44.5 | Very low | 51.8 | Low | 82 Ų | 82 | 105.3 Ų | 105.3 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | -53.6 | 122.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P65 H69 | P65-A67 PolarHBondContact O-N 3.03Å; A67-H69 PolarHBondContact O-N 2.87Å | ||
| 68 | T | 32.6 | Very low | 54.3 | Low | 135 Ų | 135 | 98.4 Ų | 98.4 | 83% | 0.828 | 66% | 0.656 | S | S | * | * | trans | -70.2 | 107.6 | 177.6 | 39.7 | 0 | 0 | 0 | 0 | 111.4 | G66 | G66-T68 PolarHBondContact O-N 2.67Š| ||
| 69 | H | 46.3 | Very low | 56.7 | Low | 159 Ų | 159 | 95.7 Ų | 95.7 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | trans | -113.3 | 9 | 172.6 | -81.8 | -83.5 | 0 | 0 | 0 | 114.7 | A67 | A67-H69 PolarHBondContact O-N 2.87Š| ||
| 70 | S | 44.3 | Very low | 59.4 | Low | 102 Ų | 102 | 94.1 Ų | 94.1 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -107.5 | 4.5 | -170.5 | -160.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 71 | A | 51.5 | Low | 61.3 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -101.8 | -8.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 72 | S | 52.2 | Low | 63.5 | Low | 57 Ų | 57 | 92.7 Ų | 92.7 | 40% | 0.399 | 59% | 0.594 | S | S | . | * | trans | -84.7 | -16 | -177.6 | 68 | 0 | 0 | 0 | 0 | 114.2 | G74 V75 D90 | S72-G74 PolarHBondContact O-N 3.04Å; S72-V75 WeakPolarHBondContact O-CG2 3.18Å; S72-V75 PolarHBondContact O-N 3.47Å; S72-D90 PolarHBondContact OG-OD2 2.86Å | ||
| 73 | T | 56.2 | Low | 65.8 | Low | 54 Ų | 54 | 95.4 Ų | 95.4 | 33% | 0.331 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | 101.9 | -179.9 | -39.1 | 0 | 0 | 0 | 0 | 110.2 | H93 F94 | T73-H93 HydrophobicContact CG2-CB 4.39Å; T73-H93 PolarHBondContact OG1-CD2 3.01Å; T73-H93 PolarHBondContact OG1-NE2 2.99Å; T73-H93 VanDerWaalsContact OG1-NE2 3.14Å; T73-F94 HydrophobicContact CG2-CE2 4.23Å |
| 74 | G | 63.9 | Low | 67.7 | Low | 37 Ų | 37 | 94.2 Ų | 94.2 | 38% | 0.381 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 142.2 | -24.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114 | S72 S76 R130 | S72-G74 PolarHBondContact O-N 3.04Å; G74-S76 PolarHBondContact O-N 2.85Å; G74-R130 PolarHBondContact O-NH1 2.95Å; G74-R130 PolarHBondContact O-NH2 3.22Å |
| 75 | V | 78 | Confident | 70.1 | Confident | 94 Ų | 94 | 85.2 Ų | 85.2 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | trans | -69.4 | 134 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | S72 D90 R130 | S72-V75 WeakPolarHBondContact O-CG2 3.18Å; S72-V75 PolarHBondContact O-N 3.47Å; V75-D90 PolarHBondContact O-N 2.81Å; V75-R130 PolarHBondContact O-NH1 2.82Å | ||
| 76 | S | 89.1 | Confident | 72.5 | Confident | 25 Ų | 25 | 80.4 Ų | 80.4 | 18% | 0.175 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 145.6 | 163 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | G74 T88 R130 Y132 | G74-S76 PolarHBondContact O-N 2.85Å; S76-T88 CarbonylContact C-O 3.57Å; S76-T88 WeakPolarHBondContact CA-O 3.5Å; S76-T88 VanDerWaalsContact CB-O 3.24Å; S76-T88 WeakPolarHBondContact CB-O 3.34Å; S76-R130 PolarHBondContact OG-NH1 3.25Å; S76-Y132 WeakPolarHBondContact CB-OH 3.32Å; S76-Y132 PolarHBondContact OG-OH 3.12Å |
| 77 | S | 92.8 | Very high | 75.2 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 43% | 0.427 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147.4 | 167.4 | 63.5 | 0 | 0 | 0 | 0 | 110 | V87 T88 | S77-V87 WeakPolarHBondContact O-CA 3.37Å; S77-T88 PolarHBondContact N-O 3.23Å; S77-T88 PolarHBondContact O-N 3.21Å; S77-T88 WeakPolarHBondContact OG-CB 3.26Å |
| 78 | V | 94.6 | Very high | 77.6 | Confident | 50 Ų | 50 | 74.5 Ų | 74.5 | 30% | 0.303 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.8 | 176.8 | -176 | 0 | 0 | 0 | 0 | 107.8 | F85 Q86 V87 Y132 | V78-F85 HydrophobicContact CG1-CE2 3.75Å; V78-F85 HydrophobicContact CG1-CZ 4.16Å; V78-Q86 CarbonylContact C-O 3.57Å; V78-Q86 WeakPolarHBondContact CA-O 3.44Å; V78-V87 HydrophobicContact CG1-CG2 4.39Å; V78-V87 HydrophobicContact CG2-CG2 4.29Å; V78-Y132 HydrophobicContact CG2-CD1 3.57Å; V78-Y132 HydrophobicContact CG2-CE1 3.45Å; V78-Y132 VanDerWaalsContact CG2-CE1 3.45Å |
| 79 | I | 94 | Very high | 80.5 | Confident | 61 Ų | 61 | 68 Ų | 68 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.3 | 175.2 | -58.9 | 172.4 | 0 | 0 | 0 | 107 | D81 F85 Q86 | I79-D81 VanDerWaalsContact CG2-OD2 3.25Å; I79-D81 WeakPolarHBondContact CG2-OD2 3.07Å; I79-F85 CarbonylContact O-C 3.58Å; I79-F85 WeakPolarHBondContact O-CA 3.33Å; I79-Q86 HydrophobicContact CB-CB 4.25Å; I79-Q86 PolarHBondContact N-O 3.14Å; I79-Q86 PolarHBondContact O-N 3.45Å |
| 80 | N | 92.6 | Very high | 82.6 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 63.2 | -174.3 | -171.5 | 26.9 | 0 | 0 | 0 | 110.9 | F85 P135 K159 | N80-F85 HydrophobicContact CB-CD2 4.36Å; N80-P135 WeakPolarHBondContact OD1-CG 3.25Å; N80-K159 WeakPolarHBondContact OD1-CE 3.33Å; N80-K159 PolarHBondContact OD1-NZ 2.92Å |
| 81 | D | 89.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | trans | -81.5 | 166.1 | -178.6 | -59.4 | -32.4 | 0 | 0 | 0 | 111.6 | I79 K83 K84 K159 | I79-D81 VanDerWaalsContact CG2-OD2 3.25Å; I79-D81 WeakPolarHBondContact CG2-OD2 3.07Å; D81-K83 PolarHBondContact O-N 2.92Å; D81-K84 PolarHBondContact N-O 2.83Å; D81-K84 PolarHBondContact O-N 2.78Å; D81-K159 VanDerWaalsContact O-CD 3.24Å; D81-K159 WeakPolarHBondContact O-CD 3.46Å; D81-K159 WeakPolarHBondContact O-CE 3.29Å; D81-K159 PolarHBondContact O-NZ 2.81Å | ||
| 82 | D | 87.9 | Confident | 86.5 | Confident | 146 Ų | 146 | 55.9 Ų | 55.9 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -57.7 | -24.1 | 178.8 | -64.6 | -40.5 | 0 | 0 | 0 | 114.1 | ||
| 83 | K | 89.4 | Confident | 87.9 | Confident | 180 Ų | 180 | 56 Ų | 56 | 78% | 0.783 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -97.5 | -32.4 | -176.4 | -61 | -178.8 | -178 | 178.9 | 0 | 114 | D81 K159 | D81-K83 PolarHBondContact O-N 2.92Å; K83-K159 PolarHBondContact O-N 3.08Å |
| 84 | K | 92.3 | Very high | 89.1 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.4 | -170.6 | 67 | 170.4 | -178 | 166.8 | 0 | 112.7 | D81 A157 | D81-K84 PolarHBondContact N-O 2.83Å; D81-K84 PolarHBondContact O-N 2.78Å; K84-A157 CarbonylContact C-O 3.52Å; K84-A157 VanDerWaalsContact CA-O 3.32Å; K84-A157 WeakPolarHBondContact CA-O 3.08Å |
| 85 | F | 94.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.2 | 166.4 | 176.7 | -99.1 | 0 | 0 | 0 | 108 | V78 I79 N80 V87 L108 L134 P135 I138 E156 A157 | V78-F85 HydrophobicContact CG1-CE2 3.75Å; V78-F85 HydrophobicContact CG1-CZ 4.16Å; I79-F85 CarbonylContact O-C 3.58Å; I79-F85 WeakPolarHBondContact O-CA 3.33Å; N80-F85 HydrophobicContact CB-CD2 4.36Å; F85-V87 HydrophobicContact CE1-CG2 3.62Å; F85-V87 HydrophobicContact CZ-CG2 3.68Å; F85-L108 HydrophobicContact CE1-CD2 4.2Å; F85-L134 HydrophobicContact CD1-CD2 3.93Å; F85-L134 HydrophobicContact CE1-CD2 3.53Å; F85-L134 HydrophobicContact CZ-CD2 4.05Å; F85-P135 HydrophobicContact CD2-CG 3.97Å; F85-P135 HydrophobicContact CE2-CG 4.49Å; F85-I138 HydrophobicContact CB-CD1 3.49Å; F85-I138 VanDerWaalsContact CB-CD1 3.49Å; F85-I138 HydrophobicContact CB-CG1 4.12Å; F85-I138 HydrophobicContact CD1-CD1 3.8Å; F85-I138 HydrophobicContact CD2-CD1 4.22Å; F85-I138 HydrophobicContact CG-CD1 3.58Å; F85-E156 CarbonylContact O-C 3.52Å; F85-E156 VanDerWaalsContact O-CA 3.26Å; F85-E156 WeakPolarHBondContact O-CA 3.26Å; F85-A157 PolarHBondContact N-O 2.84Å; F85-A157 PolarHBondContact O-N 2.76Å |
| 86 | Q | 96.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 61 Ų | 61 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133.8 | -178.4 | 179.6 | -173.9 | -29.7 | 0 | 0 | 110.5 | V78 I79 T154 I155 E156 | V78-Q86 CarbonylContact C-O 3.57Å; V78-Q86 WeakPolarHBondContact CA-O 3.44Å; I79-Q86 HydrophobicContact CB-CB 4.25Å; I79-Q86 PolarHBondContact N-O 3.14Å; I79-Q86 PolarHBondContact O-N 3.45Å; Q86-T154 HydrophobicContact CG-CG2 3.78Å; Q86-I155 CarbonylContact C-O 3.49Å; Q86-I155 VanDerWaalsContact CA-O 3.26Å; Q86-I155 WeakPolarHBondContact CA-O 3.32Å; Q86-E156 HydrophobicContact CB-CB 4.24Å; Q86-E156 HydrophobicContact CG-CB 4.22Å |
| 87 | V | 95.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.5 | 172.9 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | S77 V78 F85 L89 L108 I110 Y132 T154 I155 | S77-V87 WeakPolarHBondContact O-CA 3.37Å; V78-V87 HydrophobicContact CG1-CG2 4.39Å; V78-V87 HydrophobicContact CG2-CG2 4.29Å; F85-V87 HydrophobicContact CE1-CG2 3.62Å; F85-V87 HydrophobicContact CZ-CG2 3.68Å; V87-L89 HydrophobicContact CG1-CD1 4.17Å; V87-L108 HydrophobicContact CG2-CD2 4.05Å; V87-I110 HydrophobicContact CG1-CD1 4.31Å; V87-Y132 HydrophobicContact CG1-CD1 4.19Å; V87-Y132 HydrophobicContact CG1-CD2 4.09Å; V87-Y132 HydrophobicContact CG1-CE1 3.79Å; V87-Y132 HydrophobicContact CG1-CE2 3.68Å; V87-Y132 HydrophobicContact CG1-CG 4.36Å; V87-Y132 HydrophobicContact CG2-CD1 3.95Å; V87-Y132 HydrophobicContact CG2-CD2 4.29Å; V87-Y132 HydrophobicContact CG2-CE1 4.36Å; V87-Y132 HydrophobicContact CG2-CG 3.95Å; V87-T154 CarbonylContact O-C 3.52Å; V87-T154 WeakPolarHBondContact O-CA 3.27Å; V87-I155 PolarHBondContact N-O 3.01Å; V87-I155 PolarHBondContact O-N 2.85Å |
| 88 | T | 95.1 | Very high | 87.8 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.7 | 171.8 | -48.9 | 0 | 0 | 0 | 0 | 109.3 | S76 S77 L152 L153 | S76-T88 CarbonylContact C-O 3.57Å; S76-T88 WeakPolarHBondContact CA-O 3.5Å; S76-T88 VanDerWaalsContact CB-O 3.24Å; S76-T88 WeakPolarHBondContact CB-O 3.34Å; S77-T88 PolarHBondContact N-O 3.23Å; S77-T88 PolarHBondContact O-N 3.21Å; S77-T88 WeakPolarHBondContact OG-CB 3.26Å; T88-L152 HydrophobicContact CG2-CB 4.14Å; T88-L153 CarbonylContact C-O 3.53Å; T88-L153 WeakPolarHBondContact CA-O 3.39Å |
| 89 | L | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 123.5 | -168.3 | -126.5 | 145.1 | 0 | 0 | 0 | 109.1 | V87 V91 I110 F128 R130 Y132 L152 L153 | V87-L89 HydrophobicContact CG1-CD1 4.17Å; L89-V91 HydrophobicContact CB-CG1 4.43Å; L89-V91 HydrophobicContact CD2-CG1 4.06Å; L89-V91 PolarHBondContact O-N 3.18Å; L89-I110 HydrophobicContact CD1-CD1 3.36Å; L89-I110 HydrophobicContact CD1-CG2 4.41Å; L89-F128 HydrophobicContact CD2-CE2 4.13Å; L89-F128 HydrophobicContact CD2-CZ 4.36Å; L89-R130 VanDerWaalsContact CD2-NH1 3.35Å; L89-Y132 HydrophobicContact CD1-CE2 3.99Å; L89-L152 WeakPolarHBondContact O-CA 2.97Å; L89-L153 HydrophobicContact CB-CB 4.26Å; L89-L153 PolarHBondContact N-O 3.3Å; L89-L153 PolarHBondContact O-N 3.44Å |
| 90 | D | 91.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.4 | 171.3 | -177 | 1.2 | 0 | 0 | 0 | 109.6 | S72 V75 T92 L152 | S72-D90 PolarHBondContact OG-OD2 2.86Å; V75-D90 PolarHBondContact O-N 2.81Å; D90-T92 VanDerWaalsContact OD1-CB 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.2Å; D90-T92 PolarHBondContact OD1-N 3.2Å; D90-T92 PolarHBondContact OD1-OG1 2.65Å; D90-L152 HydrophobicContact CB-CD2 4.03Å |
| 91 | V | 89.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | trans | -123.3 | 24 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | L89 H93 F94 F99 F128 L147 G151 L153 | L89-V91 HydrophobicContact CB-CG1 4.43Å; L89-V91 HydrophobicContact CD2-CG1 4.06Å; L89-V91 PolarHBondContact O-N 3.18Å; V91-H93 PolarHBondContact O-N 2.94Å; V91-H93 VanDerWaalsContact O-N 3.07Å; V91-F94 HydrophobicContact CB-CB 4.38Å; V91-F94 HydrophobicContact CB-CD2 4.18Å; V91-F94 WeakPolarHBondContact O-CB 3.41Å; V91-F94 PolarHBondContact O-N 3.43Å; V91-F99 HydrophobicContact CB-CE1 3.82Å; V91-F99 HydrophobicContact CB-CZ 3.62Å; V91-F99 HydrophobicContact CG1-CE1 3.85Å; V91-F99 HydrophobicContact CG1-CZ 4.12Å; V91-F99 HydrophobicContact CG2-CE1 4.21Å; V91-F99 HydrophobicContact CG2-CE2 4.14Å; V91-F99 HydrophobicContact CG2-CZ 3.61Å; V91-F128 HydrophobicContact CG1-CE1 4.16Å; V91-F128 HydrophobicContact CG1-CZ 3.86Å; V91-L147 HydrophobicContact CG2-CD1 3.64Å; V91-G151 CarbonylContact C-O 3.57Å; V91-G151 WeakPolarHBondContact CA-O 3.32Å; V91-G151 WeakPolarHBondContact CG2-O 3.11Å; V91-G151 PolarHBondContact N-O 2.93Å; V91-L153 HydrophobicContact CG1-CB 4.25Å; V91-L153 HydrophobicContact CG2-CB 3.92Å | ||
| 92 | T | 87.3 | Confident | 87.8 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -32.2 | -176.2 | -57.2 | 0 | 0 | 0 | 0 | 113.8 | D90 F94 N150 G151 | D90-T92 VanDerWaalsContact OD1-CB 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.2Å; D90-T92 PolarHBondContact OD1-N 3.2Å; D90-T92 PolarHBondContact OD1-OG1 2.65Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.81Å; T92-N150 PolarHBondContact OG1-O 3.04Å; T92-G151 PolarHBondContact N-O 2.92Å |
| 93 | H | 81.7 | Confident | 88 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.5 | 180 | -58 | -78.5 | 0 | 0 | 0 | 114.2 | T73 V91 H114 | T73-H93 HydrophobicContact CG2-CB 4.39Å; T73-H93 PolarHBondContact OG1-CD2 3.01Å; T73-H93 PolarHBondContact OG1-NE2 2.99Å; T73-H93 VanDerWaalsContact OG1-NE2 3.14Å; V91-H93 PolarHBondContact O-N 2.94Å; V91-H93 VanDerWaalsContact O-N 3.07Å; H93-H114 PolarHBondContact O-ND1 2.71Å |
| 94 | F | 82.2 | Confident | 88.1 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -113.3 | 146.4 | 178.6 | -63.6 | -90.9 | 0 | 0 | 0 | 110.2 | T73 V91 T92 F99 H114 R126 F128 | T73-F94 HydrophobicContact CG2-CE2 4.23Å; V91-F94 HydrophobicContact CB-CB 4.38Å; V91-F94 HydrophobicContact CB-CD2 4.18Å; V91-F94 WeakPolarHBondContact O-CB 3.41Å; V91-F94 PolarHBondContact O-N 3.43Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.81Å; F94-F99 HydrophobicContact CB-CE1 3.62Å; F94-F99 HydrophobicContact CB-CZ 3.55Å; F94-F99 HydrophobicContact CG-CE1 4.12Å; F94-F99 HydrophobicContact CG-CZ 4.49Å; F94-H114 HydrophobicContact CD1-CB 3.8Å; F94-H114 HydrophobicContact CE1-CB 4.08Å; F94-R126 HydrophobicContact CE1-CB 3.78Å; F94-R126 HydrophobicContact CZ-CB 4.04Å; F94-F128 HydrophobicContact CD1-CD1 4.08Å; F94-F128 AromaticContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD2-CD1 4.3Å; F94-F128 AromaticContact CD2-CE1 3.96Å; F94-F128 HydrophobicContact CD2-CE1 3.96Å; F94-F128 AromaticContact CE1-CD1 3.55Å; F94-F128 HydrophobicContact CE1-CD1 3.55Å; F94-F128 AromaticContact CE1-CE1 3.95Å; F94-F128 HydrophobicContact CE1-CE1 3.95Å; F94-F128 AromaticContact CE2-CD1 3.77Å; F94-F128 HydrophobicContact CE2-CD1 3.77Å; F94-F128 AromaticContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CG-CD1 4.45Å; F94-F128 HydrophobicContact CG-CE1 4.04Å; F94-F128 AromaticContact CZ-CD1 3.39Å; F94-F128 HydrophobicContact CZ-CD1 3.39Å; F94-F128 AromaticContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CG 4.47Å |
| 95 | K | 75.3 | Confident | 87.9 | Confident | 102 Ų | 102 | 63 Ų | 63 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | trans | -71.7 | 139.5 | 173.9 | -73 | -178.8 | 173.8 | 174.4 | 0 | 108.8 | E97 K98 N117 | K95-E97 PolarHBondContact O-N 3.31Å; K95-K98 PolarHBondContact O-N 2.84Å; K95-N117 PolarHBondContact NZ-OD1 2.78Å | ||
| 96 | R | 71.3 | Confident | 87.8 | Confident | 161 Ų | 161 | 67.7 Ų | 67.7 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.9 | -170.9 | -64 | -169.7 | 178.6 | 158 | -0.3 | 114.7 | F99 L147 P149 | R96-F99 WeakPolarHBondContact O-CD2 3.33Å; R96-F99 WeakPolarHBondContact O-CE2 3.35Å; R96-L147 HydrophobicContact CB-CD2 3.56Å; R96-L147 HydrophobicContact CG-CD2 3.68Å; R96-P149 PolarHBondContact NH2-O 3.07Å |
| 97 | E | 67.8 | Low | 87.6 | Confident | 189 Ų | 189 | 70.5 Ų | 70.5 | 88% | 0.883 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 4.9 | -171.1 | -64.9 | 177.1 | 171.4 | 0 | 0 | 114.8 | K95 | K95-E97 PolarHBondContact O-N 3.31Š|
| 98 | K | 80.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | trans | -116.8 | 41.8 | -169.2 | -56.5 | -164.8 | 176.7 | -162.7 | 0 | 114.5 | K95 G112 K113 E115 | K95-K98 PolarHBondContact O-N 2.84Å; K98-G112 WeakPolarHBondContact O-CA 3.38Å; K98-K113 WeakPolarHBondContact CB-O 3.45Å; K98-K113 WeakPolarHBondContact CD-O 3.27Å; K98-K113 PolarHBondContact O-N 3.29Å; K98-E115 IonicContact NZ-OE1 2.76Å; K98-E115 PolarHBondContact NZ-OE1 2.85Å; K98-E115 IonicContact NZ-OE2 2.77Å; K98-E115 PolarHBondContact NZ-OE2 2.98Å | ||
| 99 | F | 89.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.9 | 176.7 | -48.5 | -71.9 | 0 | 0 | 0 | 111.8 | V91 F94 R96 E111 F128 L147 | V91-F99 HydrophobicContact CB-CE1 3.82Å; V91-F99 HydrophobicContact CB-CZ 3.62Å; V91-F99 HydrophobicContact CG1-CE1 3.85Å; V91-F99 HydrophobicContact CG1-CZ 4.12Å; V91-F99 HydrophobicContact CG2-CE1 4.21Å; V91-F99 HydrophobicContact CG2-CE2 4.14Å; V91-F99 HydrophobicContact CG2-CZ 3.61Å; F94-F99 HydrophobicContact CB-CE1 3.62Å; F94-F99 HydrophobicContact CB-CZ 3.55Å; F94-F99 HydrophobicContact CG-CE1 4.12Å; F94-F99 HydrophobicContact CG-CZ 4.49Å; R96-F99 WeakPolarHBondContact O-CD2 3.33Å; R96-F99 WeakPolarHBondContact O-CE2 3.35Å; F99-E111 CarbonylContact C-O 3.53Å; F99-E111 VanDerWaalsContact CA-O 3.24Å; F99-E111 WeakPolarHBondContact CA-O 3.44Å; F99-F128 HydrophobicContact CD1-CE1 4.14Å; F99-F128 AromaticContact CD1-CZ 3.9Å; F99-F128 HydrophobicContact CD1-CZ 3.9Å; F99-F128 AromaticContact CE1-CE1 3.88Å; F99-F128 HydrophobicContact CE1-CE1 3.88Å; F99-F128 AromaticContact CE1-CZ 3.97Å; F99-F128 HydrophobicContact CE1-CZ 3.97Å; F99-L147 HydrophobicContact CE2-CD2 4.02Å |
| 100 | E | 92.8 | Very high | 87.6 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 51% | 0.514 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.8 | 173.2 | -175 | 176 | 173.8 | 0 | 0 | 108.6 | T102 I110 E111 | E100-T102 HydrophobicContact CG-CG2 4.17Å; E100-I110 WeakPolarHBondContact O-CA 3.42Å; E100-E111 HydrophobicContact CB-CB 4.37Å; E100-E111 PolarHBondContact N-O 3.24Å; E100-E111 PolarHBondContact O-N 3.45Å |
| 101 | I | 94.2 | Very high | 87.6 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.1 | -178.2 | -58.4 | 164.6 | 0 | 0 | 0 | 107.4 | L108 M109 I110 I155 | I101-L108 HydrophobicContact CG2-CD1 3.55Å; I101-M109 WeakPolarHBondContact CA-O 3.48Å; I101-I110 HydrophobicContact CG1-CG2 4.36Å; I101-I155 HydrophobicContact CD1-CD1 3.61Å; I101-I155 HydrophobicContact CD1-CG1 3.88Å; I101-I155 HydrophobicContact CG1-CD1 3.96Å; I101-I155 HydrophobicContact CG2-CD1 4Å |
| 102 | T | 94.7 | Very high | 87.7 | Confident | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.319 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.3 | -179.4 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | E100 M109 | E100-T102 HydrophobicContact CG-CG2 4.17Å; T102-M109 PolarHBondContact N-O 3.43Å; T102-M109 PolarHBondContact O-N 2.93Å; T102-M109 WeakPolarHBondContact OG1-CB 3.34Å |
| 103 | T | 93.4 | Very high | 87.7 | Confident | 74 Ų | 74 | 75 Ų | 75 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.3 | 173.5 | 54.4 | 0 | 0 | 0 | 0 | 109 | R107 L108 L134 F143 | T103-R107 CarbonylContact C-O 3.53Å; T103-R107 VanDerWaalsContact CA-O 3.28Å; T103-R107 WeakPolarHBondContact CA-O 3.34Å; T103-L108 HydrophobicContact CG2-CD1 3.95Å; T103-L134 HydrophobicContact CG2-CD1 4.1Å; T103-F143 HydrophobicContact CG2-CD2 4.19Å; T103-F143 HydrophobicContact CG2-CE2 3.85Å; T103-F143 HydrophobicContact CG2-CZ 4.06Å |
| 104 | K | 90.6 | Very high | 87.8 | Confident | 130 Ų | 130 | 73 Ų | 73 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 141.8 | -178.2 | -169.7 | -176.2 | 173.4 | 179.7 | 0 | 110.4 | D106 R107 | K104-D106 PolarHBondContact O-N 2.85Å; K104-R107 PolarHBondContact N-O 3.46Å; K104-R107 WeakPolarHBondContact O-CA 3.35Å; K104-R107 WeakPolarHBondContact O-CB 3.26Å; K104-R107 PolarHBondContact O-N 2.83Å |
| 105 | D | 89.4 | Confident | 87.8 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 52.3 | 173.8 | -51.6 | -34.5 | 0 | 0 | 0 | 113.1 | R107 | D105-R107 PolarHBondContact O-N 2.8Å; D105-R107 VanDerWaalsContact O-N 3.14Å; D105-R107 PolarHBondContact O-NE 2.85Å |
| 106 | D | 90.8 | Very high | 88.2 | Confident | 103 Ų | 103 | 78.7 Ų | 78.7 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 27.4 | -176.4 | -58.2 | -37.2 | 0 | 0 | 0 | 114.3 | K104 L134 | K104-D106 PolarHBondContact O-N 2.85Å; D106-L134 WeakPolarHBondContact O-CB 3.43Å; D106-L134 PolarHBondContact O-N 3.46Å |
| 107 | R | 93.6 | Very high | 88.6 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.5 | 179.7 | -69.5 | 174.1 | -87.7 | -175.5 | -4.2 | 111.8 | T103 K104 D105 Y132 W133 | T103-R107 CarbonylContact C-O 3.53Å; T103-R107 VanDerWaalsContact CA-O 3.28Å; T103-R107 WeakPolarHBondContact CA-O 3.34Å; K104-R107 PolarHBondContact N-O 3.46Å; K104-R107 WeakPolarHBondContact O-CA 3.35Å; K104-R107 WeakPolarHBondContact O-CB 3.26Å; K104-R107 PolarHBondContact O-N 2.83Å; D105-R107 PolarHBondContact O-N 2.8Å; D105-R107 VanDerWaalsContact O-N 3.14Å; D105-R107 PolarHBondContact O-NE 2.85Å; R107-Y132 CarbonylContact C-O 3.56Å; R107-Y132 WeakPolarHBondContact CA-O 3.33Å; R107-W133 HydrophobicContact CG-CD2 3.85Å; R107-W133 HydrophobicContact CG-CE3 3.39Å; R107-W133 HydrophobicContact CG-CH2 4.12Å; R107-W133 HydrophobicContact CG-CZ3 3.54Å |
| 108 | L | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.7 | 164 | 173.8 | 69.6 | 0 | 0 | 0 | 107.9 | F85 V87 I101 T103 I110 A131 Y132 L134 F143 I155 | F85-L108 HydrophobicContact CE1-CD2 4.2Å; V87-L108 HydrophobicContact CG2-CD2 4.05Å; I101-L108 HydrophobicContact CG2-CD1 3.55Å; T103-L108 HydrophobicContact CG2-CD1 3.95Å; L108-I110 HydrophobicContact CD2-CD1 4.36Å; L108-I110 HydrophobicContact CG-CG1 4.27Å; L108-A131 CarbonylContact O-C 3.49Å; L108-A131 VanDerWaalsContact O-CA 3.3Å; L108-A131 WeakPolarHBondContact O-CA 3.32Å; L108-Y132 PolarHBondContact N-O 3.25Å; L108-Y132 PolarHBondContact O-N 3.41Å; L108-L134 HydrophobicContact CB-CD1 4.28Å; L108-L134 HydrophobicContact CB-CD2 3.77Å; L108-L134 HydrophobicContact CB-CG 4.08Å; L108-F143 HydrophobicContact CD1-CE1 4.27Å; L108-F143 HydrophobicContact CD2-CE1 4.49Å; L108-I155 HydrophobicContact CD1-CG2 4.31Å; L108-I155 HydrophobicContact CD2-CB 4.34Å; L108-I155 HydrophobicContact CD2-CD1 4.29Å; L108-I155 HydrophobicContact CD2-CG2 3.85Å |
| 109 | M | 95 | Very high | 89.3 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132 | 176.8 | -67 | -177.3 | 58.3 | 0 | 0 | 109.6 | I101 T102 T129 R130 A131 | I101-M109 WeakPolarHBondContact CA-O 3.48Å; T102-M109 PolarHBondContact N-O 3.43Å; T102-M109 PolarHBondContact O-N 2.93Å; T102-M109 WeakPolarHBondContact OG1-CB 3.34Å; M109-T129 HydrophobicContact CE-CG2 4.32Å; M109-R130 CarbonylContact C-O 3.5Å; M109-R130 WeakPolarHBondContact CA-O 3.3Å; M109-A131 HydrophobicContact CG-CB 4.38Å |
| 110 | I | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 115.6 | 179.5 | -52.8 | 166.5 | 0 | 0 | 0 | 106.8 | V87 L89 E100 I101 L108 F128 T129 R130 Y132 L153 I155 | V87-I110 HydrophobicContact CG1-CD1 4.31Å; L89-I110 HydrophobicContact CD1-CD1 3.36Å; L89-I110 HydrophobicContact CD1-CG2 4.41Å; E100-I110 WeakPolarHBondContact O-CA 3.42Å; I101-I110 HydrophobicContact CG1-CG2 4.36Å; L108-I110 HydrophobicContact CD2-CD1 4.36Å; L108-I110 HydrophobicContact CG-CG1 4.27Å; I110-F128 HydrophobicContact CG2-CE2 3.89Å; I110-F128 HydrophobicContact CG2-CZ 4.38Å; I110-T129 CarbonylContact O-C 3.5Å; I110-T129 VanDerWaalsContact O-CA 3.32Å; I110-T129 WeakPolarHBondContact O-CA 3.2Å; I110-R130 PolarHBondContact N-O 3.19Å; I110-R130 PolarHBondContact O-N 2.87Å; I110-Y132 HydrophobicContact CD1-CD2 4.09Å; I110-Y132 HydrophobicContact CD1-CE2 3.8Å; I110-L153 HydrophobicContact CG2-CD2 3.98Å; I110-I155 HydrophobicContact CD1-CD1 3.31Å; I110-I155 HydrophobicContact CG1-CD1 3.64Å |
| 111 | E | 92.2 | Very high | 88.7 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.5 | 176.1 | -60.9 | -169 | 179.5 | 0 | 0 | 109.5 | F99 E100 F128 T129 | F99-E111 CarbonylContact C-O 3.53Å; F99-E111 VanDerWaalsContact CA-O 3.24Å; F99-E111 WeakPolarHBondContact CA-O 3.44Å; E100-E111 HydrophobicContact CB-CB 4.37Å; E100-E111 PolarHBondContact N-O 3.24Å; E100-E111 PolarHBondContact O-N 3.45Å; E111-F128 CarbonylContact C-O 3.55Å; E111-F128 WeakPolarHBondContact CA-O 3.4Å; E111-T129 HydrophobicContact CG-CG2 4Å |
| 112 | G | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K98 E127 F128 | K98-G112 WeakPolarHBondContact O-CA 3.38Å; G112-E127 CarbonylContact O-C 3.52Å; G112-E127 VanDerWaalsContact O-CA 3.26Å; G112-E127 WeakPolarHBondContact O-CA 3.45Å; G112-F128 PolarHBondContact N-O 2.77Å; G112-F128 PolarHBondContact O-N 2.93Å |
| 113 | K | 88 | Confident | 88.1 | Confident | 119 Ų | 119 | 84.9 Ų | 84.9 | 52% | 0.517 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.2 | -179.5 | -68.4 | 177.4 | -176.5 | 162.5 | 0 | 110.1 | K98 | K98-K113 WeakPolarHBondContact CB-O 3.45Å; K98-K113 WeakPolarHBondContact CD-O 3.27Å; K98-K113 PolarHBondContact O-N 3.29Å |
| 114 | H | 83.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 82.8 Ų | 82.8 | 9% | 0.088 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 104.6 | 171.4 | -175.9 | 98.3 | 0 | 0 | 0 | 107.9 | H93 F94 N117 V124 K125 R126 | H93-H114 PolarHBondContact O-ND1 2.71Å; F94-H114 HydrophobicContact CD1-CB 3.8Å; F94-H114 HydrophobicContact CE1-CB 4.08Å; H114-N117 PolarHBondContact CE1-ND2 2.83Å; H114-N117 PolarHBondContact NE2-ND2 3.14Å; H114-V124 PolarHBondContact CD2-O 3.33Å; H114-V124 VanDerWaalsContact CD2-O 3.3Å; H114-V124 PolarHBondContact NE2-O 3.45Å; H114-K125 VanDerWaalsContact O-CG 3.29Å; H114-K125 WeakPolarHBondContact O-CG 3.06Å; H114-R126 CarbonylContact C-O 3.54Å; H114-R126 VanDerWaalsContact CA-O 3.32Å; H114-R126 WeakPolarHBondContact CA-O 3.24Å; H114-R126 HydrophobicContact CB-CB 4.03Å; H114-R126 VanDerWaalsContact CB-O 3.27Å; H114-R126 WeakPolarHBondContact CB-O 3.09Å; H114-R126 PolarHBondContact N-O 3.24Å; H114-R126 PolarHBondContact O-N 2.9Å; H114-R126 VanDerWaalsContact O-N 3.08Å; H114-R126 VanDerWaalsContact O-O 3.07Å |
| 115 | E | 82.3 | Confident | 87.4 | Confident | 123 Ų | 123 | 83.8 Ų | 83.8 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 155.4 | 167.8 | -84 | 161.4 | -136.9 | 0 | 0 | 111.3 | K98 N117 | K98-E115 IonicContact NZ-OE1 2.76Å; K98-E115 PolarHBondContact NZ-OE1 2.85Å; K98-E115 IonicContact NZ-OE2 2.77Å; K98-E115 PolarHBondContact NZ-OE2 2.98Å; E115-N117 PolarHBondContact O-N 2.91Å; E115-N117 PolarHBondContact O-ND2 3.32Å |
| 116 | E | 82.7 | Confident | 87.2 | Confident | 126 Ų | 126 | 83.4 Ų | 83.4 | 59% | 0.589 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 112.3 | 176.4 | -170.9 | 170.8 | -125.4 | 0 | 0 | 110.5 | Y123 V124 K125 | E116-Y123 HydrophobicContact CG-CD1 3.96Å; E116-Y123 HydrophobicContact CG-CG 4.16Å; E116-Y123 WeakPolarHBondContact OE1-CB 3.11Å; E116-V124 WeakPolarHBondContact CA-O 3.49Å; E116-K125 HydrophobicContact CB-CB 4.19Å |
| 117 | N | 80.8 | Confident | 87.1 | Confident | 39 Ų | 39 | 83 Ų | 83 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.4 | 173.2 | -65.5 | -68.3 | 0 | 0 | 0 | 109.1 | K95 H114 E115 D119 Y123 V124 | K95-N117 PolarHBondContact NZ-OD1 2.78Å; H114-N117 PolarHBondContact CE1-ND2 2.83Å; H114-N117 PolarHBondContact NE2-ND2 3.14Å; E115-N117 PolarHBondContact O-N 2.91Å; E115-N117 PolarHBondContact O-ND2 3.32Å; N117-D119 PolarHBondContact O-N 3.34Å; N117-Y123 WeakPolarHBondContact O-CA 3.46Å; N117-V124 PolarHBondContact N-O 3.07Å; N117-V124 PolarHBondContact O-N 2.82Å |
| 118 | K | 83.2 | Confident | 86.9 | Confident | 167 Ų | 167 | 80.1 Ų | 80.1 | 73% | 0.726 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.8 | 172.5 | -171.1 | 176.5 | 179.7 | -176.9 | 0 | 109.4 | G122 Y123 | K118-G122 CarbonylContact C-O 3.57Å; K118-G122 VanDerWaalsContact CA-O 3.3Å; K118-G122 WeakPolarHBondContact CA-O 3.49Å; K118-Y123 HydrophobicContact CB-CD1 4.25Å; K118-Y123 HydrophobicContact CB-CE1 4.14Å; K118-Y123 HydrophobicContact CG-CE1 4.43Å |
| 119 | D | 80.3 | Confident | 86.8 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 35% | 0.348 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -178 | 167.3 | 70.2 | 2.8 | 0 | 0 | 0 | 110 | N117 H121 G122 V124 | N117-D119 PolarHBondContact O-N 3.34Å; D119-H121 PolarHBondContact O-N 2.62Å; D119-H121 VanDerWaalsContact O-N 3.1Å; D119-H121 PolarHBondContact OD1-N 3.33Å; D119-H121 VanDerWaalsContact OD1-N 3.09Å; D119-G122 PolarHBondContact N-O 3.03Å; D119-G122 PolarHBondContact O-N 3.27Å; D119-G122 VanDerWaalsContact OD1-C 3.31Å; D119-G122 PolarHBondContact OD1-N 3.23Å; D119-V124 WeakPolarHBondContact OD2-CG2 3.28Å |
| 120 | D | 84.3 | Confident | 86.6 | Confident | 161 Ų | 161 | 83.4 Ų | 83.4 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18.2 | -177.9 | -63.5 | -37.4 | 0 | 0 | 0 | 113.2 | ||
| 121 | H | 84.2 | Confident | 86.7 | Confident | 183 Ų | 183 | 86 Ų | 86 | 85% | 0.847 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 2.5 | -171.7 | -61.4 | -62.5 | 0 | 0 | 0 | 114.2 | D119 | D119-H121 PolarHBondContact O-N 2.62Å; D119-H121 VanDerWaalsContact O-N 3.1Å; D119-H121 PolarHBondContact OD1-N 3.33Å; D119-H121 VanDerWaalsContact OD1-N 3.09Å |
| 122 | G | 88.6 | Confident | 86.8 | Confident | 29 Ų | 29 | 83.8 Ų | 83.8 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.2 | -135.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K118 D119 | K118-G122 CarbonylContact C-O 3.57Å; K118-G122 VanDerWaalsContact CA-O 3.3Å; K118-G122 WeakPolarHBondContact CA-O 3.49Å; D119-G122 PolarHBondContact N-O 3.03Å; D119-G122 PolarHBondContact O-N 3.27Å; D119-G122 VanDerWaalsContact OD1-C 3.31Å; D119-G122 PolarHBondContact OD1-N 3.23Å |
| 123 | Y | 86.8 | Confident | 86.9 | Confident | 157 Ų | 157 | 91.9 Ų | 91.9 | 62% | 0.616 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.7 | -179.7 | -67.1 | -83.7 | 0 | 0 | 0 | 109.3 | E116 N117 K118 | E116-Y123 HydrophobicContact CG-CD1 3.96Å; E116-Y123 HydrophobicContact CG-CG 4.16Å; E116-Y123 WeakPolarHBondContact OE1-CB 3.11Å; N117-Y123 WeakPolarHBondContact O-CA 3.46Å; K118-Y123 HydrophobicContact CB-CD1 4.25Å; K118-Y123 HydrophobicContact CB-CE1 4.14Å; K118-Y123 HydrophobicContact CG-CE1 4.43Å |
| 124 | V | 83.8 | Confident | 87.2 | Confident | 29 Ų | 29 | 87.4 Ų | 87.4 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.7 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | H114 E116 N117 D119 R126 | H114-V124 PolarHBondContact CD2-O 3.33Å; H114-V124 VanDerWaalsContact CD2-O 3.3Å; H114-V124 PolarHBondContact NE2-O 3.45Å; E116-V124 WeakPolarHBondContact CA-O 3.49Å; N117-V124 PolarHBondContact N-O 3.07Å; N117-V124 PolarHBondContact O-N 2.82Å; D119-V124 WeakPolarHBondContact OD2-CG2 3.28Å; V124-R126 HydrophobicContact CG1-CG 3.85Å; V124-R126 VanDerWaalsContact CG1-NH1 3.29Å |
| 125 | K | 86.3 | Confident | 87.5 | Confident | 151 Ų | 151 | 87.9 Ų | 87.9 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.1 | 170.5 | -173 | -177.5 | 177.8 | -179.2 | 0 | 108.4 | H114 E116 | H114-K125 VanDerWaalsContact O-CG 3.29Å; H114-K125 WeakPolarHBondContact O-CG 3.06Å; E116-K125 HydrophobicContact CB-CB 4.19Å |
| 126 | R | 86 | Confident | 87.8 | Confident | 93 Ų | 93 | 90.9 Ų | 90.9 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.8 | 178.6 | -59.8 | -178.9 | -179.5 | 102 | -2.5 | 109.8 | F94 H114 V124 | F94-R126 HydrophobicContact CE1-CB 3.78Å; F94-R126 HydrophobicContact CZ-CB 4.04Å; H114-R126 CarbonylContact C-O 3.54Å; H114-R126 VanDerWaalsContact CA-O 3.32Å; H114-R126 WeakPolarHBondContact CA-O 3.24Å; H114-R126 HydrophobicContact CB-CB 4.03Å; H114-R126 VanDerWaalsContact CB-O 3.27Å; H114-R126 WeakPolarHBondContact CB-O 3.09Å; H114-R126 PolarHBondContact N-O 3.24Å; H114-R126 PolarHBondContact O-N 2.9Å; H114-R126 VanDerWaalsContact O-N 3.08Å; H114-R126 VanDerWaalsContact O-O 3.07Å; V124-R126 HydrophobicContact CG1-CG 3.85Å; V124-R126 VanDerWaalsContact CG1-NH1 3.29Å |
| 127 | E | 88.6 | Confident | 88 | Confident | 94 Ų | 94 | 85.9 Ų | 85.9 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.1 | 169.3 | 69.1 | -171.4 | 173.6 | 0 | 0 | 109 | T26 G112 | T26-E127 HydrophobicContact CG2-CG 3.4Å; G112-E127 CarbonylContact O-C 3.52Å; G112-E127 VanDerWaalsContact O-CA 3.26Å; G112-E127 WeakPolarHBondContact O-CA 3.45Å |
| 128 | F | 89.7 | Confident | 88.5 | Confident | 27 Ų | 27 | 85 Ų | 85 | 12% | 0.118 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.7 | 172 | 73.5 | -93.4 | 0 | 0 | 0 | 111.3 | L89 V91 F94 F99 I110 E111 G112 R130 | L89-F128 HydrophobicContact CD2-CE2 4.13Å; L89-F128 HydrophobicContact CD2-CZ 4.36Å; V91-F128 HydrophobicContact CG1-CE1 4.16Å; V91-F128 HydrophobicContact CG1-CZ 3.86Å; F94-F128 HydrophobicContact CD1-CD1 4.08Å; F94-F128 AromaticContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD1-CE1 4Å; F94-F128 HydrophobicContact CD2-CD1 4.3Å; F94-F128 AromaticContact CD2-CE1 3.96Å; F94-F128 HydrophobicContact CD2-CE1 3.96Å; F94-F128 AromaticContact CE1-CD1 3.55Å; F94-F128 HydrophobicContact CE1-CD1 3.55Å; F94-F128 AromaticContact CE1-CE1 3.95Å; F94-F128 HydrophobicContact CE1-CE1 3.95Å; F94-F128 AromaticContact CE2-CD1 3.77Å; F94-F128 HydrophobicContact CE2-CD1 3.77Å; F94-F128 AromaticContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CE2-CE1 3.88Å; F94-F128 HydrophobicContact CG-CD1 4.45Å; F94-F128 HydrophobicContact CG-CE1 4.04Å; F94-F128 AromaticContact CZ-CD1 3.39Å; F94-F128 HydrophobicContact CZ-CD1 3.39Å; F94-F128 AromaticContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CE1 3.9Å; F94-F128 HydrophobicContact CZ-CG 4.47Å; F99-F128 HydrophobicContact CD1-CE1 4.14Å; F99-F128 AromaticContact CD1-CZ 3.9Å; F99-F128 HydrophobicContact CD1-CZ 3.9Å; F99-F128 AromaticContact CE1-CE1 3.88Å; F99-F128 HydrophobicContact CE1-CE1 3.88Å; F99-F128 AromaticContact CE1-CZ 3.97Å; F99-F128 HydrophobicContact CE1-CZ 3.97Å; I110-F128 HydrophobicContact CG2-CE2 3.89Å; I110-F128 HydrophobicContact CG2-CZ 4.38Å; E111-F128 CarbonylContact C-O 3.55Å; E111-F128 WeakPolarHBondContact CA-O 3.4Å; G112-F128 PolarHBondContact N-O 2.77Å; G112-F128 PolarHBondContact O-N 2.93Å; F128-R130 HydrophobicContact CD2-CG 4.07Å |
| 129 | T | 91.2 | Very high | 88.7 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 122 | 165.7 | -55.9 | 0 | 0 | 0 | 0 | 107.2 | M109 I110 E111 | M109-T129 HydrophobicContact CE-CG2 4.32Å; I110-T129 CarbonylContact O-C 3.5Å; I110-T129 VanDerWaalsContact O-CA 3.32Å; I110-T129 WeakPolarHBondContact O-CA 3.2Å; E111-T129 HydrophobicContact CG-CG2 4Å |
| 130 | R | 92 | Very high | 89.1 | Confident | 34 Ų | 34 | 81.1 Ų | 81.1 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.8 | 171.4 | -64.5 | -157.7 | -168.2 | 162.4 | 17.2 | 109.9 | G74 V75 S76 L89 M109 I110 F128 Y132 | G74-R130 PolarHBondContact O-NH1 2.95Å; G74-R130 PolarHBondContact O-NH2 3.22Å; V75-R130 PolarHBondContact O-NH1 2.82Å; S76-R130 PolarHBondContact OG-NH1 3.25Å; L89-R130 VanDerWaalsContact CD2-NH1 3.35Å; M109-R130 CarbonylContact C-O 3.5Å; M109-R130 WeakPolarHBondContact CA-O 3.3Å; I110-R130 PolarHBondContact N-O 3.19Å; I110-R130 PolarHBondContact O-N 2.87Å; F128-R130 HydrophobicContact CD2-CG 4.07Å; R130-Y132 HydrophobicContact CB-CE2 3.67Å; R130-Y132 WeakPolarHBondContact CD-OH 3.29Å |
| 131 | A | 94.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L108 M109 | L108-A131 CarbonylContact O-C 3.49Å; L108-A131 VanDerWaalsContact O-CA 3.3Å; L108-A131 WeakPolarHBondContact O-CA 3.32Å; M109-A131 HydrophobicContact CG-CB 4.38Å |
| 132 | Y | 94.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.9 | 178.1 | -62.8 | -93.8 | 0 | 0 | 0 | 109.1 | S76 V78 V87 L89 R107 L108 I110 R130 L134 | S76-Y132 WeakPolarHBondContact CB-OH 3.32Å; S76-Y132 PolarHBondContact OG-OH 3.12Å; V78-Y132 HydrophobicContact CG2-CD1 3.57Å; V78-Y132 HydrophobicContact CG2-CE1 3.45Å; V78-Y132 VanDerWaalsContact CG2-CE1 3.45Å; V87-Y132 HydrophobicContact CG1-CD1 4.19Å; V87-Y132 HydrophobicContact CG1-CD2 4.09Å; V87-Y132 HydrophobicContact CG1-CE1 3.79Å; V87-Y132 HydrophobicContact CG1-CE2 3.68Å; V87-Y132 HydrophobicContact CG1-CG 4.36Å; V87-Y132 HydrophobicContact CG2-CD1 3.95Å; V87-Y132 HydrophobicContact CG2-CD2 4.29Å; V87-Y132 HydrophobicContact CG2-CE1 4.36Å; V87-Y132 HydrophobicContact CG2-CG 3.95Å; L89-Y132 HydrophobicContact CD1-CE2 3.99Å; R107-Y132 CarbonylContact C-O 3.56Å; R107-Y132 WeakPolarHBondContact CA-O 3.33Å; L108-Y132 PolarHBondContact N-O 3.25Å; L108-Y132 PolarHBondContact O-N 3.41Å; I110-Y132 HydrophobicContact CD1-CD2 4.09Å; I110-Y132 HydrophobicContact CD1-CE2 3.8Å; R130-Y132 HydrophobicContact CB-CE2 3.67Å; R130-Y132 WeakPolarHBondContact CD-OH 3.29Å; Y132-L134 PolarHBondContact O-N 3.39Å |
| 133 | W | 94 | Very high | 90.1 | Very high | 170 Ų | 170 | 75.1 Ų | 75.1 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 130.5 | 173.2 | -71.6 | 108.7 | 0 | 0 | 0 | 110.4 | R107 | R107-W133 HydrophobicContact CG-CD2 3.85Å; R107-W133 HydrophobicContact CG-CE3 3.39Å; R107-W133 HydrophobicContact CG-CH2 4.12Å; R107-W133 HydrophobicContact CG-CZ3 3.54Å |
| 134 | L | 93 | Very high | 90.5 | Very high | 26 Ų | 26 | 74.2 Ų | 74.2 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 128.5 | 177 | -67.8 | 177.9 | 0 | 0 | 0 | 109.8 | F85 T103 D106 L108 Y132 Q136 I138 F143 | F85-L134 HydrophobicContact CD1-CD2 3.93Å; F85-L134 HydrophobicContact CE1-CD2 3.53Å; F85-L134 HydrophobicContact CZ-CD2 4.05Å; T103-L134 HydrophobicContact CG2-CD1 4.1Å; D106-L134 WeakPolarHBondContact O-CB 3.43Å; D106-L134 PolarHBondContact O-N 3.46Å; L108-L134 HydrophobicContact CB-CD1 4.28Å; L108-L134 HydrophobicContact CB-CD2 3.77Å; L108-L134 HydrophobicContact CB-CG 4.08Å; Y132-L134 PolarHBondContact O-N 3.39Å; L134-Q136 PolarHBondContact O-N 3.05Å; L134-I138 HydrophobicContact CB-CD1 4.18Å; L134-I138 HydrophobicContact CD2-CD1 3.73Å; L134-F143 HydrophobicContact CD1-CE2 4.32Å; L134-F143 HydrophobicContact CD1-CZ 3.82Å; L134-F143 HydrophobicContact CD2-CE1 4.19Å; L134-F143 HydrophobicContact CD2-CZ 3.68Å; L134-F143 HydrophobicContact CG-CZ 4.41Å |
| 135 | P | 91.1 | Very high | 91 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 136.3 | 162.6 | -23.1 | 23 | 0 | 0 | 0 | 111.6 | N80 F85 S137 I138 | N80-P135 WeakPolarHBondContact OD1-CG 3.25Å; F85-P135 HydrophobicContact CD2-CG 3.97Å; F85-P135 HydrophobicContact CE2-CG 4.49Å; P135-S137 PolarHBondContact O-N 3.32Å; P135-I138 HydrophobicContact CB-CD1 4.14Å; P135-I138 HydrophobicContact CB-CG1 4.18Å; P135-I138 VanDerWaalsContact CD-CD1 3.45Å; P135-I138 HydrophobicContact CG-CD1 3.86Å; P135-I138 HydrophobicContact CG-CG1 4.34Å; P135-I138 PolarHBondContact O-N 2.84Å; P135-I138 VanDerWaalsContact O-N 3.12Å |
| 136 | Q | 87.7 | Confident | 91.4 | Very high | 186 Ų | 186 | 74.3 Ų | 74.3 | 87% | 0.869 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12 | 174.9 | -66.9 | 178.3 | -20.3 | 0 | 0 | 114.4 | L134 | L134-Q136 PolarHBondContact O-N 3.05Š|
| 137 | S | 88.3 | Confident | 91.7 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.6 | -178.7 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | P135 K159 V160 | P135-S137 PolarHBondContact O-N 3.32Å; S137-K159 CarbonylContact O-C 3.5Å; S137-K159 WeakPolarHBondContact O-CA 3.3Å; S137-V160 PolarHBondContact O-N 3.48Å |
| 138 | I | 90.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 137.4 | -178.8 | -71.9 | 171.8 | 0 | 0 | 0 | 110.9 | F85 L134 P135 P140 F143 A157 K159 | F85-I138 HydrophobicContact CB-CD1 3.49Å; F85-I138 VanDerWaalsContact CB-CD1 3.49Å; F85-I138 HydrophobicContact CB-CG1 4.12Å; F85-I138 HydrophobicContact CD1-CD1 3.8Å; F85-I138 HydrophobicContact CD2-CD1 4.22Å; F85-I138 HydrophobicContact CG-CD1 3.58Å; L134-I138 HydrophobicContact CB-CD1 4.18Å; L134-I138 HydrophobicContact CD2-CD1 3.73Å; P135-I138 HydrophobicContact CB-CD1 4.14Å; P135-I138 HydrophobicContact CB-CG1 4.18Å; P135-I138 VanDerWaalsContact CD-CD1 3.45Å; P135-I138 HydrophobicContact CG-CD1 3.86Å; P135-I138 HydrophobicContact CG-CG1 4.34Å; P135-I138 PolarHBondContact O-N 2.84Å; P135-I138 VanDerWaalsContact O-N 3.12Å; I138-P140 WeakPolarHBondContact O-CD 3.39Å; I138-F143 HydrophobicContact CG2-CE2 3.67Å; I138-F143 HydrophobicContact CG2-CZ 3.73Å; I138-A157 HydrophobicContact CG2-CB 3.69Å; I138-K159 HydrophobicContact CG1-CG 4.18Å |
| 139 | N | 87.9 | Confident | 92 | Very high | 57 Ų | 57 | 73.2 Ų | 73.2 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | trans | -79.7 | 114.3 | 167.5 | -177.8 | 0.7 | 0 | 0 | 0 | 109.3 | E141 S142 A158 V160 | N139-E141 PolarHBondContact O-N 2.87Å; N139-E141 PolarHBondContact OD1-N 2.81Å; N139-E141 VanDerWaalsContact OD1-N 3.14Å; N139-S142 WeakPolarHBondContact O-CB 3.24Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 2.88Å; N139-A158 PolarHBondContact N-O 2.94Å; N139-V160 HydrophobicContact CB-CG2 3.65Å | ||
| 140 | P | 87.9 | Confident | 91.9 | Very high | 93 Ų | 93 | 73.8 Ų | 73.8 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -63.1 | -24.6 | -178.5 | 26.6 | -35.6 | 0 | 0 | 0 | 113.6 | I138 S142 F143 | I138-P140 WeakPolarHBondContact O-CD 3.39Å; P140-S142 VanDerWaalsContact C-N 3.27Å; P140-S142 PolarHBondContact O-N 3.46Å; P140-F143 WeakPolarHBondContact O-CD2 3.48Å |
| 141 | E | 90 | Very high | 91.8 | Very high | 177 Ų | 177 | 72.6 Ų | 72.6 | 83% | 0.827 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -80.4 | -12.1 | 177.5 | -62.3 | -177.2 | 172 | 0 | 0 | 112.8 | N139 | N139-E141 PolarHBondContact O-N 2.87Å; N139-E141 PolarHBondContact OD1-N 2.81Å; N139-E141 VanDerWaalsContact OD1-N 3.14Å |
| 142 | S | 92.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 16% | 0.161 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -88.4 | -1.9 | -175.7 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | N139 P140 K144 A158 | N139-S142 WeakPolarHBondContact O-CB 3.24Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 2.88Å; P140-S142 VanDerWaalsContact C-N 3.27Å; P140-S142 PolarHBondContact O-N 3.46Å; S142-K144 PolarHBondContact O-N 3.5Å; S142-A158 PolarHBondContact OG-N 3.49Å; S142-A158 PolarHBondContact OG-O 3.04Å |
| 143 | F | 95 | Very high | 91.7 | Very high | 47 Ų | 47 | 73 Ų | 73 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | trans | -63 | 131.6 | 179.9 | -83.2 | -78 | 0 | 0 | 0 | 111.4 | T103 L108 L134 I138 P140 I155 E156 A157 | T103-F143 HydrophobicContact CG2-CD2 4.19Å; T103-F143 HydrophobicContact CG2-CE2 3.85Å; T103-F143 HydrophobicContact CG2-CZ 4.06Å; L108-F143 HydrophobicContact CD1-CE1 4.27Å; L108-F143 HydrophobicContact CD2-CE1 4.49Å; L134-F143 HydrophobicContact CD1-CE2 4.32Å; L134-F143 HydrophobicContact CD1-CZ 3.82Å; L134-F143 HydrophobicContact CD2-CE1 4.19Å; L134-F143 HydrophobicContact CD2-CZ 3.68Å; L134-F143 HydrophobicContact CG-CZ 4.41Å; I138-F143 HydrophobicContact CG2-CE2 3.67Å; I138-F143 HydrophobicContact CG2-CZ 3.73Å; P140-F143 WeakPolarHBondContact O-CD2 3.48Å; F143-I155 HydrophobicContact CD1-CG2 3.97Å; F143-I155 HydrophobicContact CE1-CG2 4.43Å; F143-E156 CarbonylContact C-O 3.37Å; F143-E156 WeakPolarHBondContact CA-O 3.02Å; F143-A157 HydrophobicContact CD1-CB 3.6Å; F143-A157 HydrophobicContact CD2-CB 4.23Å; F143-A157 HydrophobicContact CE1-CB 3.58Å; F143-A157 HydrophobicContact CE2-CB 4.21Å; F143-A157 HydrophobicContact CG-CB 3.92Å; F143-A157 HydrophobicContact CZ-CB 3.89Å | ||
| 144 | K | 95.7 | Very high | 91.8 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.5 | 173.3 | -63.4 | -179 | -176.3 | 179.2 | 0 | 109.2 | S142 I155 E156 | S142-K144 PolarHBondContact O-N 3.5Å; K144-I155 CarbonylContact O-C 3.54Å; K144-I155 WeakPolarHBondContact O-CA 3.41Å; K144-E156 HydrophobicContact CB-CG 4.19Å; K144-E156 PolarHBondContact N-O 2.77Å; K144-E156 PolarHBondContact O-N 2.8Å |
| 145 | S | 94.4 | Very high | 91.9 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.2 | 174.3 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | T154 | S145-T154 CarbonylContact C-O 3.56Å; S145-T154 WeakPolarHBondContact CA-O 3.5Å |
| 146 | N | 94.3 | Very high | 92.2 | Very high | 104 Ų | 104 | 67.8 Ų | 67.8 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134.2 | 175.6 | -171.2 | -77.8 | 0 | 0 | 0 | 109.3 | T154 | N146-T154 PolarHBondContact N-O 2.82Å; N146-T154 PolarHBondContact O-N 2.72Å |
| 147 | L | 93 | Very high | 92.5 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 29% | 0.293 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.8 | 173.3 | -178.4 | 61.6 | 0 | 0 | 0 | 109 | V91 R96 F99 L153 | V91-L147 HydrophobicContact CG2-CD1 3.64Å; R96-L147 HydrophobicContact CB-CD2 3.56Å; R96-L147 HydrophobicContact CG-CD2 3.68Å; F99-L147 HydrophobicContact CE2-CD2 4.02Å; L147-L153 HydrophobicContact CB-CD1 4.45Å; L147-L153 HydrophobicContact CD1-CB 4.11Å |
| 148 | S | 92.5 | Very high | 92.8 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | trans | -77.4 | 154.5 | -179.8 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | N150 G151 L152 | S148-N150 WeakPolarHBondContact CB-OD1 3.37Å; S148-N150 PolarHBondContact O-N 2.8Å; S148-N150 PolarHBondContact OG-OD1 3.4Å; S148-G151 PolarHBondContact O-N 2.82Å; S148-L152 PolarHBondContact N-O 3.14Å; S148-L152 WeakPolarHBondContact OG-CA 3.46Å; S148-L152 VanDerWaalsContact OG-CB 3.27Å; S148-L152 WeakPolarHBondContact OG-CB 3.34Å; S148-L152 PolarHBondContact OG-N 3.31Å; S148-L152 PolarHBondContact OG-O 3.43Å | ||
| 149 | P | 91.1 | Very high | 92.9 | Very high | 109 Ų | 109 | 61 Ų | 61 | 71% | 0.708 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.8 | -174.4 | 24 | -34.5 | 0 | 0 | 0 | 113.9 | R96 G151 | R96-P149 PolarHBondContact NH2-O 3.07Å; P149-G151 PolarHBondContact O-N 3.49Å |
| 150 | N | 90.2 | Very high | 92.7 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.8 | 175.6 | 67.1 | -7.9 | 0 | 0 | 0 | 113.5 | T92 S148 L152 | T92-N150 PolarHBondContact OG1-O 3.04Å; S148-N150 WeakPolarHBondContact CB-OD1 3.37Å; S148-N150 PolarHBondContact O-N 2.8Å; S148-N150 PolarHBondContact OG-OD1 3.4Å; N150-L152 WeakPolarHBondContact ND2-CD1 3.41Å; N150-L152 PolarHBondContact OD1-N 3.04Å |
| 151 | G | 90.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 89 | 16.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | V91 T92 S148 P149 | V91-G151 CarbonylContact C-O 3.57Å; V91-G151 WeakPolarHBondContact CA-O 3.32Å; V91-G151 WeakPolarHBondContact CG2-O 3.11Å; V91-G151 PolarHBondContact N-O 2.93Å; T92-G151 PolarHBondContact N-O 2.92Å; S148-G151 PolarHBondContact O-N 2.82Å; P149-G151 PolarHBondContact O-N 3.49Å |
| 152 | L | 92.5 | Very high | 90.5 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.3 | 172.3 | -53.5 | 174.4 | 0 | 0 | 0 | 110.7 | T88 L89 D90 S148 N150 | T88-L152 HydrophobicContact CG2-CB 4.14Å; L89-L152 WeakPolarHBondContact O-CA 2.97Å; D90-L152 HydrophobicContact CB-CD2 4.03Å; S148-L152 PolarHBondContact N-O 3.14Å; S148-L152 WeakPolarHBondContact OG-CA 3.46Å; S148-L152 VanDerWaalsContact OG-CB 3.27Å; S148-L152 WeakPolarHBondContact OG-CB 3.34Å; S148-L152 PolarHBondContact OG-N 3.31Å; S148-L152 PolarHBondContact OG-O 3.43Å; N150-L152 WeakPolarHBondContact ND2-CD1 3.41Å; N150-L152 PolarHBondContact OD1-N 3.04Å |
| 153 | L | 94.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.7 | 170.4 | 177.9 | 63.8 | 0 | 0 | 0 | 108.9 | T88 L89 V91 I110 L147 I155 | T88-L153 CarbonylContact C-O 3.53Å; T88-L153 WeakPolarHBondContact CA-O 3.39Å; L89-L153 HydrophobicContact CB-CB 4.26Å; L89-L153 PolarHBondContact N-O 3.3Å; L89-L153 PolarHBondContact O-N 3.44Å; V91-L153 HydrophobicContact CG1-CB 4.25Å; V91-L153 HydrophobicContact CG2-CB 3.92Å; I110-L153 HydrophobicContact CG2-CD2 3.98Å; L147-L153 HydrophobicContact CB-CD1 4.45Å; L147-L153 HydrophobicContact CD1-CB 4.11Å; L153-I155 HydrophobicContact CD2-CD1 4.36Å; L153-I155 HydrophobicContact CG-CD1 4.48Å; L153-I155 HydrophobicContact CG-CG1 4.41Å |
| 154 | T | 95.4 | Very high | 86.8 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 18% | 0.184 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.3 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | Q86 V87 S145 N146 | Q86-T154 HydrophobicContact CG-CG2 3.78Å; V87-T154 CarbonylContact O-C 3.52Å; V87-T154 WeakPolarHBondContact O-CA 3.27Å; S145-T154 CarbonylContact C-O 3.56Å; S145-T154 WeakPolarHBondContact CA-O 3.5Å; N146-T154 PolarHBondContact N-O 2.82Å; N146-T154 PolarHBondContact O-N 2.72Å |
| 155 | I | 96 | Very high | 85.1 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.1 | 174.5 | -60.4 | 161.7 | 0 | 0 | 0 | 107.3 | Q86 V87 I101 L108 I110 F143 K144 L153 | Q86-I155 CarbonylContact C-O 3.49Å; Q86-I155 VanDerWaalsContact CA-O 3.26Å; Q86-I155 WeakPolarHBondContact CA-O 3.32Å; V87-I155 PolarHBondContact N-O 3.01Å; V87-I155 PolarHBondContact O-N 2.85Å; I101-I155 HydrophobicContact CD1-CD1 3.61Å; I101-I155 HydrophobicContact CD1-CG1 3.88Å; I101-I155 HydrophobicContact CG1-CD1 3.96Å; I101-I155 HydrophobicContact CG2-CD1 4Å; L108-I155 HydrophobicContact CD1-CG2 4.31Å; L108-I155 HydrophobicContact CD2-CB 4.34Å; L108-I155 HydrophobicContact CD2-CD1 4.29Å; L108-I155 HydrophobicContact CD2-CG2 3.85Å; I110-I155 HydrophobicContact CD1-CD1 3.31Å; I110-I155 HydrophobicContact CG1-CD1 3.64Å; F143-I155 HydrophobicContact CD1-CG2 3.97Å; F143-I155 HydrophobicContact CE1-CG2 4.43Å; K144-I155 CarbonylContact O-C 3.54Å; K144-I155 WeakPolarHBondContact O-CA 3.41Å; L153-I155 HydrophobicContact CD2-CD1 4.36Å; L153-I155 HydrophobicContact CG-CD1 4.48Å; L153-I155 HydrophobicContact CG-CG1 4.41Å |
| 156 | E | 95.8 | Very high | 83.9 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 38% | 0.379 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.5 | -178.6 | 62.6 | 176.4 | -167 | 0 | 0 | 111.8 | F85 Q86 F143 K144 | F85-E156 CarbonylContact O-C 3.52Å; F85-E156 VanDerWaalsContact O-CA 3.26Å; F85-E156 WeakPolarHBondContact O-CA 3.26Å; Q86-E156 HydrophobicContact CB-CB 4.24Å; Q86-E156 HydrophobicContact CG-CB 4.22Å; F143-E156 CarbonylContact C-O 3.37Å; F143-E156 WeakPolarHBondContact CA-O 3.02Å; K144-E156 HydrophobicContact CB-CG 4.19Å; K144-E156 PolarHBondContact N-O 2.77Å; K144-E156 PolarHBondContact O-N 2.8Å |
| 157 | A | 95.5 | Very high | 83.1 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 3% | 0.033 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K84 F85 I138 F143 | K84-A157 CarbonylContact C-O 3.52Å; K84-A157 VanDerWaalsContact CA-O 3.32Å; K84-A157 WeakPolarHBondContact CA-O 3.08Å; F85-A157 PolarHBondContact N-O 2.84Å; F85-A157 PolarHBondContact O-N 2.76Å; I138-A157 HydrophobicContact CG2-CB 3.69Å; F143-A157 HydrophobicContact CD1-CB 3.6Å; F143-A157 HydrophobicContact CD2-CB 4.23Å; F143-A157 HydrophobicContact CE1-CB 3.58Å; F143-A157 HydrophobicContact CE2-CB 4.21Å; F143-A157 HydrophobicContact CG-CB 3.92Å; F143-A157 HydrophobicContact CZ-CB 3.89Å |
| 158 | A | 93.9 | Very high | 82.5 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 40% | 0.397 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 143.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N139 S142 | N139-A158 PolarHBondContact N-O 2.94Å; S142-A158 PolarHBondContact OG-N 3.49Å; S142-A158 PolarHBondContact OG-O 3.04Å |
| 159 | K | 92.1 | Very high | 82.2 | Confident | 33 Ų | 33 | 88.8 Ų | 88.8 | 14% | 0.143 | 48% | 0.476 | C | S | . | . | B | Isolated β-bridge | trans | -87 | 130.9 | 169.2 | -67.5 | -176.2 | -178.4 | 174.4 | 0 | 109.8 | N80 D81 K83 S137 I138 G161 | N80-K159 WeakPolarHBondContact OD1-CE 3.33Å; N80-K159 PolarHBondContact OD1-NZ 2.92Å; D81-K159 VanDerWaalsContact O-CD 3.24Å; D81-K159 WeakPolarHBondContact O-CD 3.46Å; D81-K159 WeakPolarHBondContact O-CE 3.29Å; D81-K159 PolarHBondContact O-NZ 2.81Å; K83-K159 PolarHBondContact O-N 3.08Å; S137-K159 CarbonylContact O-C 3.5Å; S137-K159 WeakPolarHBondContact O-CA 3.3Å; I138-K159 HydrophobicContact CG1-CG 4.18Å; K159-G161 PolarHBondContact O-N 3.1Å; K159-G161 VanDerWaalsContact O-N 3.11Å |
| 160 | V | 84.4 | Confident | 82.1 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | trans | -60.7 | 111.7 | 162 | -171.7 | 0 | 0 | 0 | 0 | 105.9 | S137 N139 R162 | S137-V160 PolarHBondContact O-N 3.48Å; N139-V160 HydrophobicContact CB-CG2 3.65Å; V160-R162 PolarHBondContact O-N 3.09Å | ||
| 161 | G | 70.1 | Confident | 82.1 | Confident | 61 Ų | 61 | 90.5 Ų | 90.5 | 63% | 0.629 | 48% | 0.483 | S | S | * | . | trans | -48.8 | 130.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K159 L163 | K159-G161 PolarHBondContact O-N 3.1Å; K159-G161 VanDerWaalsContact O-N 3.11Å; G161-L163 PolarHBondContact O-N 3.34Å | ||
| 162 | R | 60.5 | Low | 82 | Confident | 188 Ų | 188 | 97.1 Ų | 97.1 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | trans | -59.5 | 117.4 | 174.2 | -75.4 | -170.6 | -173.5 | -156.3 | 2.1 | 108.3 | V160 H164 | V160-R162 PolarHBondContact O-N 3.09Å; R162-H164 PolarHBondContact O-N 3.24Å | ||
| 163 | L | 55.8 | Low | 82 | Confident | 153 Ų | 153 | 103.6 Ų | 103.6 | 80% | 0.801 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -60.6 | 85.1 | 151 | -83.8 | 159.8 | 0 | 0 | 0 | 106.9 | G161 | G161-L163 PolarHBondContact O-N 3.34Š|
| 164 | H | 54.9 | Low | 81.8 | Confident | 148 Ų | 148 | 113.7 Ų | 113.7 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | trans | 77.2 | 101.8 | 157.6 | -39.4 | -9.1 | 0 | 0 | 0 | 114 | R162 V166 | R162-H164 PolarHBondContact O-N 3.24Å; H164-V166 VanDerWaalsContact C-N 3.32Å; H164-V166 PolarHBondContact O-N 3.09Å | ||
| 165 | S | 59.9 | Low | 81.4 | Confident | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 61% | 0.609 | S | S | * | * | trans | -67.4 | 91.7 | 163.5 | -51.6 | 0 | 0 | 0 | 0 | 108.3 | E167 | S165-E167 PolarHBondContact O-N 3.32Š| ||
| 166 | V | 68.8 | Low | 80.8 | Confident | 127 Ų | 127 | 128.2 Ų | 128.2 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | trans | -68.8 | 105.9 | 171 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | H164 H168 | H164-V166 VanDerWaalsContact C-N 3.32Å; H164-V166 PolarHBondContact O-N 3.09Å; V166-H168 PolarHBondContact O-N 3.2Å | ||
| 167 | E | 79 | Confident | 79.9 | Confident | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 118.8 | 171.3 | -176.5 | 179.6 | 175.2 | 0 | 0 | 108.5 | S165 | S165-E167 PolarHBondContact O-N 3.32Š| ||
| 168 | H | 79.4 | Confident | 79.1 | Confident | 152 Ų | 152 | 144.3 Ų | 144.3 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | trans | -107.4 | 111.3 | 176.2 | -166.9 | -78.5 | 0 | 0 | 0 | 109.7 | V166 I170 | V166-H168 PolarHBondContact O-N 3.2Å; H168-I170 PolarHBondContact O-N 3.07Å | ||
| 169 | K | 87.3 | Confident | 78.4 | Confident | 186 Ų | 186 | 149.3 Ų | 149.3 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | trans | -72.7 | 116.8 | 175.4 | -172.5 | 174.1 | -177.3 | 176 | 0 | 109.7 | P171 | K169-P171 WeakPolarHBondContact O-CD 3.47Š| ||
| 170 | I | 88.8 | Confident | 77.6 | Confident | 142 Ų | 142 | 155.8 Ų | 155.8 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | -88.8 | 112.5 | 175.9 | -57 | 173 | 0 | 0 | 0 | 108.5 | H168 | H168-I170 PolarHBondContact O-N 3.07Š| ||
| 171 | P | 89.3 | Confident | 77.2 | Confident | 100 Ų | 100 | 159.6 Ų | 159.6 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 129.7 | 179.7 | 29.7 | -33.3 | 0 | 0 | 0 | 111.4 | K169 | K169-P171 WeakPolarHBondContact O-CD 3.47Š| ||
| 172 | I | 89.6 | Confident | 77.6 | Confident | 149 Ų | 149 | 165.8 Ų | 165.8 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -83.4 | 115 | 171.6 | -59.4 | 171 | 0 | 0 | 0 | 108.7 | ||||
| 173 | K | 92.2 | Very high | 78.8 | Confident | 195 Ų | 195 | 164.3 Ų | 164.3 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 123.6 | 170.1 | -66.9 | -177.9 | -179.1 | 177.6 | 0 | 109.2 | ||
| 174 | R | 89.8 | Confident | 80.4 | Confident | 219 Ų | 219 | 165.1 Ų | 165.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 139.6 | 169 | -63.3 | -179 | -176 | 171.2 | 0.8 | 109.1 | ||
| 175 | P | 86 | Confident | 82.4 | Confident | 128 Ų | 128 | 166.5 Ų | 166.5 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.9 | 174.5 | 26.6 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 176 | K | 83.7 | Confident | 84.3 | Confident | 211 Ų | 211 | 172.4 Ų | 172.4 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 135.3 | 173.8 | -66.4 | -171.7 | -178.6 | -177.9 | 0 | 109.1 | ||
| 177 | K | 77.5 | Confident | 85.7 | Confident | 278 Ų | 278 | 176.5 Ų | 176.5 | 100% | 1.209 | 83% | 0.831 | S | S | * | * | trans | -75.9 | 0 | 174.3 | -169 | 179.2 | -178 | -179 | 0 | 110.6 |
Retrieved 177 of 177 residues in 252.5 ms
(Link to these results)