| 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 | 45.3 | Very low | 44.1 | Very low | 236 Ų | 236 | 148 Ų | 148 | 100% | 1.163 | 83% | 0.827 | S | S | * | * | 0 | 94.7 | 0 | -78.8 | 75.5 | 172.4 | 0 | 0 | 107 | |||||
| 2 | D | 37.8 | Very low | 44.4 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -80.1 | 127.5 | -177.1 | -58.4 | -73.8 | 0 | 0 | 0 | 110.1 | I4 | D2-I4 PolarHBondContact O-N 3.21Š| ||
| 3 | F | 46 | Very low | 44.3 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -80.6 | 99 | 177.4 | -159.5 | -93.3 | 0 | 0 | 0 | 108.1 | V5 | F3-V5 HydrophobicContact CD1-CG2 4.24Å; F3-V5 PolarHBondContact O-N 2.84Å | ||
| 4 | I | 39.5 | Very low | 45 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 103.7 | 174 | -62 | 170.2 | 0 | 0 | 0 | 107.3 | D2 P6 | D2-I4 PolarHBondContact O-N 3.21Å; I4-P6 WeakPolarHBondContact O-CD 3.49Å | ||
| 5 | V | 44.9 | Very low | 45 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 121.6 | 169.7 | -179 | 0 | 0 | 0 | 0 | 107.6 | F3 | F3-V5 HydrophobicContact CD1-CG2 4.24Å; F3-V5 PolarHBondContact O-N 2.84Å |
| 6 | P | 45.4 | Very low | 45.6 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 144.9 | 174.7 | 25.5 | -30.5 | 0 | 0 | 0 | 110.1 | I4 S8 | I4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-S8 PolarHBondContact O-N 3.38Å |
| 7 | P | 42.9 | Very low | 46.1 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.3 | -177.6 | 26.2 | -32.6 | 0 | 0 | 0 | 110.2 | L9 | P7-L9 PolarHBondContact O-N 3.06Š|
| 8 | S | 49.4 | Very low | 46.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -42.3 | 117.4 | 176.8 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | P6 T10 | P6-S8 PolarHBondContact O-N 3.38Å; S8-T10 PolarHBondContact O-N 2.82Å | ||
| 9 | L | 44 | Very low | 47 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 114.3 | 173.3 | -73.4 | 169.8 | 0 | 0 | 0 | 109.4 | P7 | P7-L9 PolarHBondContact O-N 3.06Š| ||
| 10 | T | 42.3 | Very low | 47.2 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -67.8 | 145.8 | 167.6 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | S8 G12 | S8-T10 PolarHBondContact O-N 2.82Å; T10-G12 PolarHBondContact O-N 2.8Å | ||
| 11 | T | 47.3 | Very low | 47.2 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 96% | 0.963 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -50.3 | 48.7 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 117.6 | ||
| 12 | G | 47.4 | Very low | 47.1 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | -132.1 | 117.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | T10 | T10-G12 PolarHBondContact O-N 2.8Š| ||
| 13 | G | 43.1 | Very low | 47.6 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 154.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P15 | G13-P15 WeakPolarHBondContact O-CD 3.42Š|
| 14 | I | 55.3 | Low | 47.4 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 122.4 | -176.5 | -52.8 | 170.9 | 0 | 0 | 0 | 109.4 | W16 | I14-W16 PolarHBondContact O-N 3.18Š|
| 15 | P | 44.9 | Very low | 47.5 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 49% | 0.487 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 124 | 177.5 | -13.9 | 28.3 | 0 | 0 | 0 | 110.6 | G13 E17 K18 | G13-P15 WeakPolarHBondContact O-CD 3.42Å; P15-E17 PolarHBondContact O-N 3.22Å; P15-K18 PolarHBondContact O-N 3.45Å |
| 16 | W | 53.7 | Low | 47 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -63.7 | -12.9 | -173.4 | 60.2 | -93.9 | 0 | 0 | 0 | 114.6 | I14 K18 | I14-W16 PolarHBondContact O-N 3.18Å; W16-K18 VanDerWaalsContact C-N 3.26Å; W16-K18 PolarHBondContact O-N 3.23Å |
| 17 | E | 54.8 | Low | 47.1 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -73.6 | -13.8 | 177.2 | -60.6 | -170.8 | 135.7 | 0 | 0 | 113.6 | P15 | P15-E17 PolarHBondContact O-N 3.22Š|
| 18 | K | 52.8 | Low | 47.3 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -92 | 3 | 179.8 | -67.7 | -172 | 177.5 | -178.7 | 0 | 114.8 | P15 W16 | P15-K18 PolarHBondContact O-N 3.45Å; W16-K18 VanDerWaalsContact C-N 3.26Å; W16-K18 PolarHBondContact O-N 3.23Å |
| 19 | V | 56 | Low | 46.8 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -102.8 | 3.2 | -175.5 | -151.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 20 | L | 50.6 | Low | 46.9 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -81.9 | 130.4 | 174.9 | -60.8 | 179.9 | 0 | 0 | 0 | 110.2 | ||
| 21 | P | 46.8 | Very low | 46.8 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.9 | 176.2 | 25.9 | -32.2 | 0 | 0 | 0 | 110.5 | R23 | P21-R23 PolarHBondContact O-N 3.07Š|
| 22 | P | 43.9 | Very low | 46.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.6 | 176.7 | 25.6 | -31.4 | 0 | 0 | 0 | 109.6 | L24 | P22-L24 VanDerWaalsContact C-N 3.26Å; P22-L24 PolarHBondContact O-N 3.37Å |
| 23 | R | 48.7 | Very low | 45.9 | Very low | 254 Ų | 254 | 146.6 Ų | 146.6 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | trans | -67.4 | 85.2 | 171.4 | -66.8 | -81.6 | -178.9 | 176.2 | -2.5 | 108.5 | P21 | P21-R23 PolarHBondContact O-N 3.07Š| ||
| 24 | L | 41.6 | Very low | 46.1 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -94.6 | 119.4 | 169.5 | -74.8 | 172.7 | 0 | 0 | 0 | 109.8 | P22 | P22-L24 VanDerWaalsContact C-N 3.26Å; P22-L24 PolarHBondContact O-N 3.37Å | ||
| 25 | N | 41.1 | Very low | 45.2 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | trans | -78.3 | 122.7 | 173.7 | -160.8 | 26.4 | 0 | 0 | 0 | 108.3 | ||||
| 26 | G | 35.9 | Very low | 45.3 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 134.6 | 100.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 27 | S | 46.4 | Very low | 45 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 52.4 | 120.1 | 141 | -157.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 28 | H | 47.3 | Very low | 44.5 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | 70.8 | 88.6 | 152 | -83.4 | 94.1 | 0 | 0 | 0 | 119.4 | ||||
| 29 | G | 38.8 | Very low | 43.9 | Very low | 46 Ų | 46 | 138.7 Ų | 138.7 | 47% | 0.474 | 74% | 0.739 | S | S | . | * | trans | -163.9 | 117.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y31 | G29-Y31 PolarHBondContact O-N 3.1Š| ||
| 30 | Y | 46 | Very low | 43.2 | Very low | 234 Ų | 234 | 138.2 Ų | 138.2 | 92% | 0.918 | 74% | 0.738 | S | S | * | * | trans | -67.5 | 81.8 | 174.3 | -90.1 | -94.4 | 0 | 0 | 0 | 109.4 | ||||
| 31 | Y | 39.8 | Very low | 42.5 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -102.5 | 105.9 | 157.5 | -50 | -74.9 | 0 | 0 | 0 | 105.6 | G29 W33 | G29-Y31 PolarHBondContact O-N 3.1Å; Y31-W33 PolarHBondContact O-N 2.72Å | ||
| 32 | N | 39.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | trans | -67.8 | 83.2 | 170.9 | -168.5 | 39.3 | 0 | 0 | 0 | 107.6 | S34 | N32-S34 PolarHBondContact O-N 3.4Å; N32-S34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | W | 37.2 | Very low | 42.1 | Very low | 221 Ų | 221 | 140.8 Ų | 140.8 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | trans | -78.5 | 89.3 | 175.3 | 74.7 | -69 | 0 | 0 | 0 | 107.8 | Y31 | Y31-W33 PolarHBondContact O-N 2.72Š| ||
| 34 | S | 46.6 | Very low | 42 | Very low | 49 Ų | 49 | 131.6 Ų | 131.6 | 34% | 0.343 | 71% | 0.708 | S | S | . | * | trans | -78.5 | 134.7 | 160.8 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | N32 S36 | N32-S34 PolarHBondContact O-N 3.4Å; N32-S34 VanDerWaalsContact O-N 3.1Å; S34-S36 PolarHBondContact O-N 3.47Å | ||
| 35 | P | 37.3 | Very low | 42.3 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -70.6 | 7.3 | 177.8 | 29.5 | -32.9 | 0 | 0 | 0 | 112.9 | ||
| 36 | S | 46.7 | Very low | 43.2 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -82.2 | -8.3 | -177.3 | -41.5 | 0 | 0 | 0 | 0 | 114 | S34 L38 | S34-S36 PolarHBondContact O-N 3.47Å; S36-L38 VanDerWaalsContact C-N 3.35Å; S36-L38 PolarHBondContact O-N 2.98Å |
| 37 | L | 47.4 | Very low | 44.9 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 78% | 0.775 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -92.4 | 16.1 | -175.3 | -65.2 | 178.3 | 0 | 0 | 0 | 114.8 | ||
| 38 | L | 45.4 | Very low | 46.7 | Very low | 163 Ų | 163 | 119 Ų | 119 | 85% | 0.853 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -134.5 | 15.9 | 175 | -110.7 | 149.4 | 0 | 0 | 0 | 113.8 | S36 | S36-L38 VanDerWaalsContact C-N 3.35Å; S36-L38 PolarHBondContact O-N 2.98Å |
| 39 | V | 40.2 | Very low | 48.8 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -81.3 | 116.4 | 143.6 | -171.3 | 0 | 0 | 0 | 0 | 102.5 | E41 | V39-E41 PolarHBondContact O-N 2.89Š|
| 40 | P | 39.8 | Very low | 51.4 | Low | 100 Ų | 100 | 118.1 Ų | 118.1 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | trans | -49 | 118.9 | 161.9 | 21.7 | -29.1 | 0 | 0 | 0 | 103.8 | T42 | P40-T42 PolarHBondContact O-N 3.41Š| ||
| 41 | E | 36.3 | Very low | 53.6 | Low | 158 Ų | 158 | 111.9 Ų | 111.9 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | trans | -55 | 98 | 174.1 | -161.1 | 171.2 | 110.1 | 0 | 0 | 103.4 | V39 E43 | V39-E41 PolarHBondContact O-N 2.89Å; E41-E43 HydrophobicContact CG-CG 4.05Å; E41-E43 PolarHBondContact O-N 2.95Å | ||
| 42 | T | 44.3 | Very low | 56 | Low | 90 Ų | 90 | 104.9 Ų | 104.9 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | trans | -74.8 | 72.8 | 178 | 49.4 | 0 | 0 | 0 | 0 | 102.6 | P40 S44 V45 | P40-T42 PolarHBondContact O-N 3.41Å; T42-S44 PolarHBondContact O-N 3.34Å; T42-V45 HydrophobicContact CG2-CG2 4.05Å | ||
| 43 | E | 37.6 | Very low | 58.4 | Low | 157 Ų | 157 | 101.3 Ų | 101.3 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 90.3 | 165.6 | -77.3 | -158.8 | 109.3 | 0 | 0 | 105 | E41 | E41-E43 HydrophobicContact CG-CG 4.05Å; E41-E43 PolarHBondContact O-N 2.95Å |
| 44 | S | 46.4 | Very low | 60.7 | Low | 61 Ų | 61 | 99.3 Ų | 99.3 | 43% | 0.427 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 46.3 | 103.8 | -166.7 | 73 | 0 | 0 | 0 | 0 | 114.3 | T42 S46 | T42-S44 PolarHBondContact O-N 3.34Å; S44-S46 PolarHBondContact O-N 2.63Å |
| 45 | V | 49.2 | Very low | 62.7 | Low | 106 Ų | 106 | 103.8 Ų | 103.8 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | trans | -56.4 | 95.2 | 135.6 | -177.9 | 0 | 0 | 0 | 0 | 103.8 | T42 S47 | T42-V45 HydrophobicContact CG2-CG2 4.05Å; V45-S47 PolarHBondContact O-N 2.88Å | ||
| 46 | S | 59.6 | Low | 65.4 | Low | 13 Ų | 13 | 98.9 Ų | 98.9 | 9% | 0.091 | 55% | 0.551 | C | S | . | * | trans | -44.4 | 117.2 | 176.6 | 133.2 | 0 | 0 | 0 | 0 | 105.9 | S44 A48 D62 R103 | S44-S46 PolarHBondContact O-N 2.63Å; S46-A48 PolarHBondContact O-N 2.72Å; S46-D62 VanDerWaalsContact CB-O 3.26Å; S46-D62 WeakPolarHBondContact CB-O 3.31Å; S46-D62 PolarHBondContact OG-N 2.85Å; S46-D62 PolarHBondContact OG-O 3.01Å; S46-R103 VanDerWaalsContact CA-NH2 3.28Å; S46-R103 PolarHBondContact O-NH1 3.14Å; S46-R103 PolarHBondContact O-NH2 2.83Å; S46-R103 PolarHBondContact OG-NH1 2.83Å; S46-R103 PolarHBondContact OG-NH2 3.4Å | ||
| 47 | S | 71.3 | Confident | 67.7 | Low | 90 Ų | 90 | 94.9 Ų | 94.9 | 63% | 0.629 | 52% | 0.522 | S | S | * | . | trans | -70 | 137.6 | -174.5 | -164 | 0 | 0 | 0 | 0 | 106.7 | V45 | V45-S47 PolarHBondContact O-N 2.88Š| ||
| 48 | A | 84.2 | Confident | 70.1 | Confident | 35 Ų | 35 | 89.7 Ų | 89.7 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | S46 Q60 V61 Y105 | S46-A48 PolarHBondContact O-N 2.72Å; A48-Q60 CarbonylContact C-O 3.5Å; A48-Q60 WeakPolarHBondContact CA-O 3.21Å; A48-V61 HydrophobicContact CB-CG2 4.38Å; A48-Y105 HydrophobicContact CB-CE1 3.64Å; A48-Y105 WeakPolarHBondContact CB-OH 3.43Å |
| 49 | E | 92.5 | Very high | 72.6 | Confident | 126 Ų | 126 | 81.9 Ų | 81.9 | 59% | 0.589 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.1 | 176 | -61.5 | -176 | 134.6 | 0 | 0 | 108.4 | V59 Q60 | E49-V59 CarbonylContact O-C 3.57Å; E49-V59 WeakPolarHBondContact O-CA 3.43Å; E49-Q60 HydrophobicContact CB-CB 4.39Å; E49-Q60 PolarHBondContact N-O 2.83Å; E49-Q60 PolarHBondContact O-N 3.25Å |
| 50 | V | 92.7 | Very high | 75.3 | Confident | 84 Ų | 84 | 80.9 Ų | 80.9 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.6 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | F57 T58 V59 Y105 | V50-F57 HydrophobicContact CG1-CD2 4.5Å; V50-F57 HydrophobicContact CG1-CE2 3.8Å; V50-T58 WeakPolarHBondContact CA-O 3.23Å; V50-V59 HydrophobicContact CG1-CG2 4.3Å; V50-V59 HydrophobicContact CG2-CG1 4.29Å; V50-V59 HydrophobicContact CG2-CG2 4.26Å; V50-Y105 HydrophobicContact CG2-CD1 3.77Å; V50-Y105 HydrophobicContact CG2-CE1 4.19Å |
| 51 | H | 91.6 | Very high | 78 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.7 | 179.9 | -175.7 | 70.5 | 0 | 0 | 0 | 109.4 | D53 T58 | H51-D53 IonicContact CE1-OD1 2.98Å; H51-D53 PolarHBondContact CE1-OD1 2.81Å; H51-D53 IonicContact CE1-OD2 3.55Å; H51-D53 PolarHBondContact CE1-OD2 2.73Å; H51-D53 IonicContact ND1-OD1 2.97Å; H51-D53 IonicContact NE2-OD1 3.72Å; H51-D53 PolarHBondContact NE2-OD1 3.02Å; H51-D53 IonicContact NE2-OD2 2.69Å; H51-D53 PolarHBondContact NE2-OD2 2.77Å; H51-T58 PolarHBondContact N-O 2.75Å; H51-T58 PolarHBondContact O-N 2.94Å |
| 52 | C | 90.4 | Very high | 80.9 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 110.4 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 110 | G56 F57 P108 | C52-G56 WeakPolarHBondContact CA-O 3.49Å; C52-F57 HydrophobicContact CB-CD2 4.32Å; C52-P108 HydrophobicContact CB-CG 4.25Å |
| 53 | D | 88.9 | Confident | 83.3 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 43% | 0.433 | 36% | 0.364 | S | S | . | . | trans | -127.7 | -175.4 | -177.1 | -74.8 | 10.7 | 0 | 0 | 0 | 109.8 | H51 I55 G56 | H51-D53 IonicContact CE1-OD1 2.98Å; H51-D53 PolarHBondContact CE1-OD1 2.81Å; H51-D53 IonicContact CE1-OD2 3.55Å; H51-D53 PolarHBondContact CE1-OD2 2.73Å; H51-D53 IonicContact ND1-OD1 2.97Å; H51-D53 IonicContact NE2-OD1 3.72Å; H51-D53 PolarHBondContact NE2-OD1 3.02Å; H51-D53 IonicContact NE2-OD2 2.69Å; H51-D53 PolarHBondContact NE2-OD2 2.77Å; D53-I55 PolarHBondContact O-N 3.23Å; D53-I55 VanDerWaalsContact O-N 3.16Å; D53-G56 PolarHBondContact N-O 2.83Å; D53-G56 PolarHBondContact O-N 2.93Å | ||
| 54 | E | 86.3 | Confident | 86.1 | Confident | 180 Ų | 180 | 64.4 Ų | 64.4 | 84% | 0.841 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -59.6 | -23.6 | 177.2 | 62 | -172.3 | -171.7 | 0 | 0 | 113.8 | ||
| 55 | I | 88.2 | Confident | 88.3 | Confident | 142 Ų | 142 | 66 Ų | 66 | 73% | 0.728 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -77.8 | -42.2 | 179.4 | -57.7 | 174.6 | 0 | 0 | 0 | 110.7 | D53 M132 | D53-I55 PolarHBondContact O-N 3.23Å; D53-I55 VanDerWaalsContact O-N 3.16Å; I55-M132 PolarHBondContact O-N 3.23Å; I55-M132 VanDerWaalsContact O-N 3.17Å |
| 56 | G | 93.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | -173.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C52 D53 A130 | C52-G56 WeakPolarHBondContact CA-O 3.49Å; D53-G56 PolarHBondContact N-O 2.83Å; D53-G56 PolarHBondContact O-N 2.93Å; G56-A130 CarbonylContact C-O 3.52Å; G56-A130 VanDerWaalsContact CA-O 3.29Å; G56-A130 WeakPolarHBondContact CA-O 3.36Å |
| 57 | F | 96.8 | Very high | 92 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.6 | 178.4 | 167.7 | -104.7 | 0 | 0 | 0 | 109.3 | V50 C52 V59 V80 P108 V111 S129 A130 | V50-F57 HydrophobicContact CG1-CD2 4.5Å; V50-F57 HydrophobicContact CG1-CE2 3.8Å; C52-F57 HydrophobicContact CB-CD2 4.32Å; F57-V59 HydrophobicContact CE1-CG2 3.69Å; F57-V59 HydrophobicContact CE2-CG2 3.87Å; F57-V59 HydrophobicContact CZ-CG2 3.24Å; F57-V80 HydrophobicContact CE1-CG2 4.25Å; F57-P108 HydrophobicContact CD2-CG 4Å; F57-P108 HydrophobicContact CE2-CG 4.41Å; F57-V111 HydrophobicContact CB-CG1 4.16Å; F57-V111 HydrophobicContact CB-CG2 3.6Å; F57-V111 HydrophobicContact CG-CG2 4.31Å; F57-S129 CarbonylContact O-C 3.54Å; F57-S129 VanDerWaalsContact O-CA 3.25Å; F57-S129 WeakPolarHBondContact O-CA 3.34Å; F57-A130 PolarHBondContact N-O 2.84Å; F57-A130 PolarHBondContact O-N 3.05Å |
| 58 | T | 97.7 | Very high | 93 | Very high | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.239 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135.1 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | V50 H51 Q60 I127 I128 | V50-T58 WeakPolarHBondContact CA-O 3.23Å; H51-T58 PolarHBondContact N-O 2.75Å; H51-T58 PolarHBondContact O-N 2.94Å; T58-Q60 HydrophobicContact CG2-CG 4.39Å; T58-I127 HydrophobicContact CG2-CG2 4.13Å; T58-I128 CarbonylContact C-O 3.56Å; T58-I128 VanDerWaalsContact CA-O 3.29Å; T58-I128 WeakPolarHBondContact CA-O 3.38Å |
| 59 | V | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.8 | 171.2 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | E49 V50 F57 V61 Y105 I127 I128 | E49-V59 CarbonylContact O-C 3.57Å; E49-V59 WeakPolarHBondContact O-CA 3.43Å; V50-V59 HydrophobicContact CG1-CG2 4.3Å; V50-V59 HydrophobicContact CG2-CG1 4.29Å; V50-V59 HydrophobicContact CG2-CG2 4.26Å; F57-V59 HydrophobicContact CE1-CG2 3.69Å; F57-V59 HydrophobicContact CE2-CG2 3.87Å; F57-V59 HydrophobicContact CZ-CG2 3.24Å; V59-V61 HydrophobicContact CG1-CG2 3.79Å; V59-Y105 HydrophobicContact CG1-CD1 3.94Å; V59-Y105 HydrophobicContact CG1-CD2 3.76Å; V59-Y105 HydrophobicContact CG1-CE1 3.89Å; V59-Y105 HydrophobicContact CG1-CE2 3.67Å; V59-Y105 HydrophobicContact CG1-CG 3.87Å; V59-Y105 HydrophobicContact CG2-CD2 4.39Å; V59-Y105 HydrophobicContact CG2-CG 4.07Å; V59-I127 CarbonylContact O-C 3.58Å; V59-I127 WeakPolarHBondContact O-CA 3.43Å; V59-I128 HydrophobicContact CB-CB 4.35Å; V59-I128 PolarHBondContact N-O 2.81Å; V59-I128 PolarHBondContact O-N 2.69Å |
| 60 | Q | 97.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.2 | 172 | -58.2 | -172.1 | 48.6 | 0 | 0 | 109.5 | A48 E49 T58 V125 L126 I127 | A48-Q60 CarbonylContact C-O 3.5Å; A48-Q60 WeakPolarHBondContact CA-O 3.21Å; E49-Q60 HydrophobicContact CB-CB 4.39Å; E49-Q60 PolarHBondContact N-O 2.83Å; E49-Q60 PolarHBondContact O-N 3.25Å; T58-Q60 HydrophobicContact CG2-CG 4.39Å; Q60-V125 HydrophobicContact CB-CG1 4Å; Q60-L126 CarbonylContact C-O 3.55Å; Q60-L126 WeakPolarHBondContact CA-O 3.29Å; Q60-I127 HydrophobicContact CG-CG1 4.37Å |
| 61 | V | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 124.3 | -176.4 | -169 | 0 | 0 | 0 | 0 | 109.4 | A48 V59 V63 Y105 V125 L126 | A48-V61 HydrophobicContact CB-CG2 4.38Å; V59-V61 HydrophobicContact CG1-CG2 3.79Å; V61-V63 HydrophobicContact CB-CG1 4.38Å; V61-V63 HydrophobicContact CG1-CG1 4.11Å; V61-V63 PolarHBondContact O-N 3.37Å; V61-Y105 HydrophobicContact CG2-CE2 3.93Å; V61-Y105 VanDerWaalsContact CG2-OH 3.27Å; V61-Y105 WeakPolarHBondContact CG2-OH 3.49Å; V61-V125 WeakPolarHBondContact O-CA 2.86Å; V61-L126 HydrophobicContact CB-CB 4.32Å; V61-L126 PolarHBondContact N-O 3.06Å; V61-L126 PolarHBondContact O-N 2.97Å |
| 62 | D | 95.9 | Very high | 94.1 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 119.8 | 170 | -176.6 | -44.9 | 0 | 0 | 0 | 109.4 | S46 K64 | S46-D62 VanDerWaalsContact CB-O 3.26Å; S46-D62 WeakPolarHBondContact CB-O 3.31Å; S46-D62 PolarHBondContact OG-N 2.85Å; S46-D62 PolarHBondContact OG-O 3.01Å; D62-K64 WeakPolarHBondContact OD1-CD 3.46Å; D62-K64 WeakPolarHBondContact OD1-CE 3.4Å; D62-K64 VanDerWaalsContact OD1-CG 3.28Å; D62-K64 WeakPolarHBondContact OD1-CG 3.28Å; D62-K64 PolarHBondContact OD1-N 2.92Å; D62-K64 IonicContact OD1-NZ 3.1Å; D62-K64 WeakPolarHBondContact OD2-CE 3.34Å; D62-K64 IonicContact OD2-NZ 2.93Å; D62-K64 PolarHBondContact OD2-NZ 2.77Å |
| 63 | V | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | trans | -130.1 | 21.8 | -179.6 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | V61 H65 F66 L71 F101 V120 G124 L126 | V61-V63 HydrophobicContact CB-CG1 4.38Å; V61-V63 HydrophobicContact CG1-CG1 4.11Å; V61-V63 PolarHBondContact O-N 3.37Å; V63-H65 PolarHBondContact O-N 2.67Å; V63-F66 PolarHBondContact O-N 2.67Å; V63-L71 HydrophobicContact CB-CD1 3.98Å; V63-L71 HydrophobicContact CB-CD2 4.29Å; V63-L71 HydrophobicContact CG1-CD1 4.13Å; V63-L71 HydrophobicContact CG1-CD2 4.03Å; V63-L71 HydrophobicContact CG2-CD1 3.89Å; V63-F101 HydrophobicContact CG1-CE1 4.38Å; V63-F101 HydrophobicContact CG1-CZ 3.99Å; V63-V120 HydrophobicContact CG2-CG1 4.05Å; V63-G124 CarbonylContact C-O 3.53Å; V63-G124 VanDerWaalsContact CG2-O 3.28Å; V63-G124 WeakPolarHBondContact CG2-O 3.37Å; V63-G124 PolarHBondContact N-O 3Å; V63-L126 HydrophobicContact CG1-CB 3.92Å; V63-L126 HydrophobicContact CG2-CB 3.88Å | ||
| 64 | K | 94.6 | Very high | 94.8 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.8 | -173.3 | 72.8 | -162.2 | 164.5 | -150.2 | 0 | 115.5 | D62 G124 | D62-K64 WeakPolarHBondContact OD1-CD 3.46Å; D62-K64 WeakPolarHBondContact OD1-CE 3.4Å; D62-K64 VanDerWaalsContact OD1-CG 3.28Å; D62-K64 WeakPolarHBondContact OD1-CG 3.28Å; D62-K64 PolarHBondContact OD1-N 2.92Å; D62-K64 IonicContact OD1-NZ 3.1Å; D62-K64 WeakPolarHBondContact OD2-CE 3.34Å; D62-K64 IonicContact OD2-NZ 2.93Å; D62-K64 PolarHBondContact OD2-NZ 2.77Å; K64-G124 PolarHBondContact N-O 3.46Å |
| 65 | H | 92.6 | Very high | 95.4 | Very high | 95 Ų | 95 | 56.5 Ų | 56.5 | 44% | 0.44 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 7.8 | 178 | -57.5 | -64.1 | 0 | 0 | 0 | 113.4 | V63 L99 | V63-H65 PolarHBondContact O-N 2.67Å; H65-L99 HydrophobicContact CB-CD1 3.69Å |
| 66 | F | 94.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -126.4 | 142.5 | -179.2 | -63.9 | -93.3 | 0 | 0 | 0 | 109.4 | V63 D70 L71 G84 H86 L99 F101 | V63-F66 PolarHBondContact O-N 2.67Å; F66-D70 HydrophobicContact CB-CB 4.48Å; F66-D70 HydrophobicContact CD1-CB 4.36Å; F66-L71 HydrophobicContact CB-CD2 3.8Å; F66-L71 HydrophobicContact CB-CG 4.19Å; F66-L71 HydrophobicContact CD1-CD2 4.47Å; F66-L71 HydrophobicContact CG-CD2 4.09Å; F66-G84 VanDerWaalsContact CE1-C 3.48Å; F66-H86 HydrophobicContact CD1-CB 3.68Å; F66-H86 HydrophobicContact CE1-CB 3.91Å; F66-L99 HydrophobicContact CE1-CB 3.98Å; F66-L99 HydrophobicContact CZ-CB 3.67Å; F66-F101 HydrophobicContact CD1-CE1 4.29Å; F66-F101 HydrophobicContact CD2-CD1 4.19Å; F66-F101 AromaticContact CD2-CE1 3.77Å; F66-F101 HydrophobicContact CD2-CE1 3.77Å; F66-F101 AromaticContact CE1-CD1 3.96Å; F66-F101 HydrophobicContact CE1-CD1 3.96Å; F66-F101 HydrophobicContact CE1-CE1 4.13Å; F66-F101 AromaticContact CE2-CD1 3.52Å; F66-F101 HydrophobicContact CE2-CD1 3.52Å; F66-F101 AromaticContact CE2-CE1 3.59Å; F66-F101 HydrophobicContact CE2-CE1 3.59Å; F66-F101 HydrophobicContact CG-CE1 4.14Å; F66-F101 AromaticContact CZ-CD1 3.41Å; F66-F101 HydrophobicContact CZ-CD1 3.41Å; F66-F101 VanDerWaalsContact CZ-CD1 3.41Å; F66-F101 AromaticContact CZ-CE1 3.8Å; F66-F101 HydrophobicContact CZ-CE1 3.8Å |
| 67 | N | 92.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 55 Ų | 55 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | trans | -78.7 | 156.2 | 167.4 | -59.8 | -25.1 | 0 | 0 | 0 | 109.7 | E69 D70 | N67-E69 HydrophobicContact CB-CG 4.21Å; N67-E69 WeakPolarHBondContact CB-OE1 3.38Å; N67-E69 VanDerWaalsContact CB-OE2 3.28Å; N67-E69 WeakPolarHBondContact CB-OE2 3.32Å; N67-E69 PolarHBondContact ND2-OE1 2.6Å; N67-E69 PolarHBondContact O-N 3.46Å; N67-E69 VanDerWaalsContact O-N 3.16Å; N67-D70 WeakPolarHBondContact CB-OD2 3.42Å; N67-D70 PolarHBondContact N-OD2 2.75Å; N67-D70 WeakPolarHBondContact O-CB 3.47Å; N67-D70 PolarHBondContact O-N 3.41Å | ||
| 68 | P | 92.3 | Very high | 95.7 | Very high | 87 Ų | 87 | 59.8 Ų | 59.8 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -53.8 | -35.3 | 177 | -27.5 | 36.1 | 0 | 0 | 0 | 114 | D70 L71 | P68-D70 VanDerWaalsContact C-N 3.28Å; P68-D70 PolarHBondContact O-N 2.93Å; P68-L71 PolarHBondContact O-N 3.39Å |
| 69 | E | 94.9 | Very high | 95.7 | Very high | 140 Ų | 140 | 60.9 Ų | 60.9 | 65% | 0.654 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -70.7 | -19.2 | 178.1 | 65.8 | -84.8 | -168.5 | 0 | 0 | 114.6 | N67 L71 | N67-E69 HydrophobicContact CB-CG 4.21Å; N67-E69 WeakPolarHBondContact CB-OE1 3.38Å; N67-E69 VanDerWaalsContact CB-OE2 3.28Å; N67-E69 WeakPolarHBondContact CB-OE2 3.32Å; N67-E69 PolarHBondContact ND2-OE1 2.6Å; N67-E69 PolarHBondContact O-N 3.46Å; N67-E69 VanDerWaalsContact O-N 3.16Å; E69-L71 VanDerWaalsContact C-N 3.28Å |
| 70 | D | 95.2 | Very high | 95.8 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -84.7 | -6.7 | 177.6 | -63.4 | -39.6 | 0 | 0 | 0 | 112.4 | F66 N67 P68 G84 Q85 H86 | F66-D70 HydrophobicContact CB-CB 4.48Å; F66-D70 HydrophobicContact CD1-CB 4.36Å; N67-D70 WeakPolarHBondContact CB-OD2 3.42Å; N67-D70 PolarHBondContact N-OD2 2.75Å; N67-D70 WeakPolarHBondContact O-CB 3.47Å; N67-D70 PolarHBondContact O-N 3.41Å; P68-D70 VanDerWaalsContact C-N 3.28Å; P68-D70 PolarHBondContact O-N 2.93Å; D70-G84 WeakPolarHBondContact O-CA 3.07Å; D70-Q85 VanDerWaalsContact CB-O 3.32Å; D70-Q85 WeakPolarHBondContact CB-O 3.07Å; D70-Q85 PolarHBondContact O-N 2.79Å; D70-H86 IonicContact OD2-CE1 3.46Å; D70-H86 IonicContact OD2-CG 3.6Å; D70-H86 IonicContact OD2-ND1 3.36Å; D70-H86 PolarHBondContact OD2-ND1 3.27Å |
| 71 | L | 97.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.7 | -175.6 | -61.3 | 175.1 | 0 | 0 | 0 | 111.4 | V63 F66 P68 E69 Q83 F101 V120 | V63-L71 HydrophobicContact CB-CD1 3.98Å; V63-L71 HydrophobicContact CB-CD2 4.29Å; V63-L71 HydrophobicContact CG1-CD1 4.13Å; V63-L71 HydrophobicContact CG1-CD2 4.03Å; V63-L71 HydrophobicContact CG2-CD1 3.89Å; F66-L71 HydrophobicContact CB-CD2 3.8Å; F66-L71 HydrophobicContact CB-CG 4.19Å; F66-L71 HydrophobicContact CD1-CD2 4.47Å; F66-L71 HydrophobicContact CG-CD2 4.09Å; P68-L71 PolarHBondContact O-N 3.39Å; E69-L71 VanDerWaalsContact C-N 3.28Å; L71-Q83 CarbonylContact C-O 3.55Å; L71-Q83 WeakPolarHBondContact CA-O 3.28Å; L71-F101 HydrophobicContact CD2-CE1 3.94Å; L71-F101 HydrophobicContact CD2-CZ 3.88Å; L71-V120 HydrophobicContact CD1-CG2 4.01Å |
| 72 | L | 97.9 | Very high | 95.8 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.1 | 172.3 | 178.5 | 66 | 0 | 0 | 0 | 109.7 | K74 V82 Q83 | L72-K74 HydrophobicContact CD2-CD 4.47Å; L72-V82 CarbonylContact O-C 3.53Å; L72-V82 WeakPolarHBondContact O-CA 3.41Å; L72-Q83 HydrophobicContact CB-CB 4.28Å; L72-Q83 PolarHBondContact N-O 3.26Å; L72-Q83 PolarHBondContact O-N 3.43Å |
| 73 | V | 97.8 | Very high | 95.9 | Very high | 40 Ų | 40 | 58 Ų | 58 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.8 | 171 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | V80 E81 V82 L126 I128 | V73-V80 HydrophobicContact CG1-CG1 3.76Å; V73-E81 WeakPolarHBondContact CA-O 3.25Å; V73-V82 HydrophobicContact CG2-CG1 4.45Å; V73-V82 HydrophobicContact CG2-CG2 4.48Å; V73-L126 HydrophobicContact CG2-CD1 4.32Å; V73-L126 HydrophobicContact CG2-CD2 3.81Å; V73-I128 HydrophobicContact CG1-CD1 4.08Å; V73-I128 HydrophobicContact CG1-CG1 4.25Å; V73-I128 HydrophobicContact CG2-CD1 4.43Å |
| 74 | K | 97 | Very high | 95.9 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152 | 177.5 | 59.4 | 176.3 | -177.2 | 165.5 | 0 | 111.3 | L72 V76 E81 Q83 | L72-K74 HydrophobicContact CD2-CD 4.47Å; K74-V76 HydrophobicContact CD-CG2 3.84Å; K74-V76 HydrophobicContact CG-CG2 4.01Å; K74-E81 WeakPolarHBondContact CE-OE2 3.32Å; K74-E81 HydrophobicContact CG-CB 4Å; K74-E81 PolarHBondContact N-O 2.86Å; K74-E81 IonicContact NZ-OE2 3.75Å; K74-E81 PolarHBondContact NZ-OE2 3.16Å; K74-E81 PolarHBondContact O-N 2.78Å; K74-Q83 VanDerWaalsContact CE-NE2 3.32Å |
| 75 | V | 97.5 | Very high | 96 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.3 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | F79 I107 I113 L116 | V75-F79 CarbonylContact C-O 3.59Å; V75-F79 WeakPolarHBondContact CA-O 3.18Å; V75-I107 HydrophobicContact CG1-CD1 3.86Å; V75-I107 HydrophobicContact CG2-CD1 4.47Å; V75-I113 HydrophobicContact CG1-CG2 3.98Å; V75-I113 HydrophobicContact CG2-CG2 4.21Å; V75-L116 HydrophobicContact CG2-CD2 4.32Å |
| 76 | V | 96.5 | Very high | 96.1 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 103.1 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | K74 D78 F79 E81 | K74-V76 HydrophobicContact CD-CG2 3.84Å; K74-V76 HydrophobicContact CG-CG2 4.01Å; V76-D78 PolarHBondContact O-N 3.41Å; V76-F79 PolarHBondContact N-O 2.96Å; V76-F79 PolarHBondContact O-N 2.81Å; V76-E81 HydrophobicContact CB-CG 4.16Å; V76-E81 HydrophobicContact CG2-CG 4Å |
| 77 | G | 94.7 | Very high | 96 | Very high | 60 Ų | 60 | 59 Ų | 59 | 62% | 0.619 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -127.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F79 | G77-F79 VanDerWaalsContact C-N 3.26Å; G77-F79 PolarHBondContact O-N 2.98Å |
| 78 | D | 95.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 25.9 | 179.2 | -57.6 | -27.3 | 0 | 0 | 0 | 113 | V76 R106 I107 | V76-D78 PolarHBondContact O-N 3.41Å; D78-R106 CarbonylContact O-C 3.58Å; D78-R106 WeakPolarHBondContact O-CA 3.26Å; D78-I107 PolarHBondContact O-N 2.78Å |
| 79 | F | 97.4 | Very high | 95.8 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.1 | -176.7 | -64.6 | -95.4 | 0 | 0 | 0 | 112 | V75 V76 G77 R104 Y105 R106 | V75-F79 CarbonylContact C-O 3.59Å; V75-F79 WeakPolarHBondContact CA-O 3.18Å; V76-F79 PolarHBondContact N-O 2.96Å; V76-F79 PolarHBondContact O-N 2.81Å; G77-F79 VanDerWaalsContact C-N 3.26Å; G77-F79 PolarHBondContact O-N 2.98Å; F79-R104 HydrophobicContact CD1-CB 4.18Å; F79-Y105 CarbonylContact C-O 3.51Å; F79-Y105 VanDerWaalsContact CA-O 3.25Å; F79-Y105 WeakPolarHBondContact CA-O 3.4Å; F79-R106 HydrophobicContact CD1-CB 4.05Å; F79-R106 HydrophobicContact CE1-CB 3.76Å; F79-R106 HydrophobicContact CE1-CG 4.09Å; F79-R106 HydrophobicContact CZ-CB 4.44Å; F79-R106 HydrophobicContact CZ-CG 4.28Å |
| 80 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.1 | 156.7 | -175.3 | 0 | 0 | 0 | 0 | 108 | F57 V73 V82 R104 Y105 I107 L116 I128 | F57-V80 HydrophobicContact CE1-CG2 4.25Å; V73-V80 HydrophobicContact CG1-CG1 3.76Å; V80-V82 HydrophobicContact CG1-CG2 4.41Å; V80-R104 CarbonylContact O-C 3.57Å; V80-R104 VanDerWaalsContact O-CA 3.32Å; V80-R104 WeakPolarHBondContact O-CA 3.48Å; V80-Y105 PolarHBondContact N-O 2.86Å; V80-Y105 PolarHBondContact O-N 2.85Å; V80-I107 HydrophobicContact CG2-CD1 3.71Å; V80-I107 HydrophobicContact CG2-CG1 3.73Å; V80-L116 HydrophobicContact CG2-CD1 3.76Å; V80-I128 HydrophobicContact CG1-CD1 4.02Å; V80-I128 HydrophobicContact CG1-CG2 4.29Å; V80-I128 HydrophobicContact CG2-CG2 4.48Å |
| 81 | E | 97.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.7 | 170.9 | -46.8 | -162.4 | 157.6 | 0 | 0 | 110.1 | V73 K74 V76 R103 R104 | V73-E81 WeakPolarHBondContact CA-O 3.25Å; K74-E81 WeakPolarHBondContact CE-OE2 3.32Å; K74-E81 HydrophobicContact CG-CB 4Å; K74-E81 PolarHBondContact N-O 2.86Å; K74-E81 IonicContact NZ-OE2 3.75Å; K74-E81 PolarHBondContact NZ-OE2 3.16Å; K74-E81 PolarHBondContact O-N 2.78Å; V76-E81 HydrophobicContact CB-CG 4.16Å; V76-E81 HydrophobicContact CG2-CG 4Å; E81-R103 CarbonylContact C-O 3.57Å; E81-R103 VanDerWaalsContact CA-O 3.28Å; E81-R103 WeakPolarHBondContact CA-O 3.39Å; E81-R104 HydrophobicContact CB-CG 4.34Å; E81-R104 HydrophobicContact CG-CG 3.91Å; E81-R104 WeakPolarHBondContact OE1-CD 3.43Å; E81-R104 IonicContact OE1-CZ 3.72Å; E81-R104 IonicContact OE1-NE 2.75Å; E81-R104 PolarHBondContact OE1-NE 3.32Å; E81-R104 IonicContact OE1-NH2 3.93Å |
| 82 | V | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.6 | 173.5 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | L72 V73 V80 F101 N102 R103 Y105 L126 I128 | L72-V82 CarbonylContact O-C 3.53Å; L72-V82 WeakPolarHBondContact O-CA 3.41Å; V73-V82 HydrophobicContact CG2-CG1 4.45Å; V73-V82 HydrophobicContact CG2-CG2 4.48Å; V80-V82 HydrophobicContact CG1-CG2 4.41Å; V82-F101 HydrophobicContact CB-CE2 4.09Å; V82-F101 HydrophobicContact CG1-CE2 3.59Å; V82-F101 HydrophobicContact CG1-CZ 3.8Å; V82-N102 CarbonylContact O-C 3.52Å; V82-N102 WeakPolarHBondContact O-CA 3.37Å; V82-R103 PolarHBondContact N-O 2.97Å; V82-R103 PolarHBondContact O-N 2.91Å; V82-Y105 HydrophobicContact CG2-CD2 4.31Å; V82-Y105 HydrophobicContact CG2-CE2 3.89Å; V82-L126 HydrophobicContact CG1-CD2 3.51Å; V82-L126 HydrophobicContact CG2-CD2 4.22Å; V82-I128 HydrophobicContact CG2-CD1 3.5Å |
| 83 | Q | 97.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 74.1 Ų | 74.1 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.1 | 176.1 | -40.8 | -167 | -4.8 | 0 | 0 | 108.7 | L71 L72 K74 F101 N102 | L71-Q83 CarbonylContact C-O 3.55Å; L71-Q83 WeakPolarHBondContact CA-O 3.28Å; L72-Q83 HydrophobicContact CB-CB 4.28Å; L72-Q83 PolarHBondContact N-O 3.26Å; L72-Q83 PolarHBondContact O-N 3.43Å; K74-Q83 VanDerWaalsContact CE-NE2 3.32Å; Q83-F101 WeakPolarHBondContact CA-O 3.47Å; Q83-N102 WeakPolarHBondContact CG-ND2 3.36Å; Q83-N102 PolarHBondContact NE2-ND2 2.95Å |
| 84 | G | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F66 D70 Q100 F101 | F66-G84 VanDerWaalsContact CE1-C 3.48Å; D70-G84 WeakPolarHBondContact O-CA 3.07Å; G84-Q100 CarbonylContact O-C 3.58Å; G84-Q100 VanDerWaalsContact O-CA 3.23Å; G84-Q100 WeakPolarHBondContact O-CA 3.28Å; G84-F101 PolarHBondContact N-O 2.82Å; G84-F101 PolarHBondContact O-N 2.96Å |
| 85 | Q | 95.8 | Very high | 92.5 | Very high | 106 Ų | 106 | 79.4 Ų | 79.4 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 103.6 | 175.6 | -73.8 | -179.4 | 56.6 | 0 | 0 | 109.8 | D70 L99 Q100 | D70-Q85 VanDerWaalsContact CB-O 3.32Å; D70-Q85 WeakPolarHBondContact CB-O 3.07Å; D70-Q85 PolarHBondContact O-N 2.79Å; Q85-L99 WeakPolarHBondContact CA-O 3.39Å; Q85-Q100 HydrophobicContact CG-CB 4.42Å; Q85-Q100 HydrophobicContact CG-CG 3.83Å |
| 86 | H | 94.8 | Very high | 92 | Very high | 23 Ų | 23 | 82.1 Ų | 82.1 | 11% | 0.106 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.9 | -179.3 | -176 | 72.7 | 0 | 0 | 0 | 110.7 | F66 D70 E88 T98 L99 | F66-H86 HydrophobicContact CD1-CB 3.68Å; F66-H86 HydrophobicContact CE1-CB 3.91Å; D70-H86 IonicContact OD2-CE1 3.46Å; D70-H86 IonicContact OD2-CG 3.6Å; D70-H86 IonicContact OD2-ND1 3.36Å; D70-H86 PolarHBondContact OD2-ND1 3.27Å; H86-E88 WeakPolarHBondContact NE2-CB 3.27Å; H86-E88 IonicContact NE2-OE2 2.77Å; H86-T98 CarbonylContact O-C 3.49Å; H86-T98 VanDerWaalsContact O-CA 3.31Å; H86-T98 WeakPolarHBondContact O-CA 3.49Å; H86-L99 HydrophobicContact CB-CB 4.49Å; H86-L99 PolarHBondContact N-O 2.83Å; H86-L99 PolarHBondContact O-N 3.23Å |
| 87 | K | 91.9 | Very high | 91.5 | Very high | 133 Ų | 133 | 81.3 Ų | 81.3 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 111.8 | 173.2 | -177.9 | 179.7 | 177.9 | -176.3 | 0 | 109.9 | F96 T97 | K87-F96 HydrophobicContact CD-CD1 4.45Å; K87-F96 VanDerWaalsContact CE-CD1 3.5Å; K87-F96 VanDerWaalsContact CE-CG 3.46Å; K87-F96 HydrophobicContact CG-CB 4.29Å; K87-F96 HydrophobicContact CG-CD1 4.2Å; K87-F96 HydrophobicContact CG-CG 4.49Å; K87-T97 WeakPolarHBondContact CA-O 3.16Å |
| 88 | E | 89.8 | Confident | 91.2 | Very high | 89 Ų | 89 | 82.8 Ų | 82.8 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.4 | 175.6 | 54.8 | 171.7 | -164.9 | 0 | 0 | 111.6 | H86 F96 T97 | H86-E88 WeakPolarHBondContact NE2-CB 3.27Å; H86-E88 IonicContact NE2-OE2 2.77Å; E88-F96 CarbonylContact O-C 3.57Å; E88-F96 WeakPolarHBondContact O-CA 3.28Å; E88-T97 PolarHBondContact N-O 2.85Å; E88-T97 PolarHBondContact O-N 3.21Å |
| 89 | Q | 89.9 | Confident | 91.1 | Very high | 129 Ų | 129 | 81.1 Ų | 81.1 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.7 | 169.5 | -171.3 | 174.3 | 15.7 | 0 | 0 | 109.3 | K91 F96 | Q89-K91 PolarHBondContact O-N 2.84Å; Q89-F96 HydrophobicContact CB-CD1 4.17Å; Q89-F96 HydrophobicContact CB-CE1 4.13Å; Q89-F96 HydrophobicContact CG-CE1 4.32Å |
| 90 | K | 87.8 | Confident | 90.9 | Very high | 111 Ų | 111 | 84.7 Ų | 84.7 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | trans | -63.6 | 134.1 | 175.4 | -68.4 | -173.7 | 180 | -171.1 | 0 | 109.6 | E92 G95 | K90-E92 PolarHBondContact O-N 3.33Å; K90-G95 PolarHBondContact N-O 2.8Å | ||
| 91 | K | 84.5 | Confident | 90.8 | Very high | 211 Ų | 211 | 86.1 Ų | 86.1 | 92% | 0.917 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -65.3 | -28 | 179.2 | -66.2 | -179.1 | -178.7 | 173.8 | 0 | 112.6 | Q89 | Q89-K91 PolarHBondContact O-N 2.84Š|
| 92 | E | 85.1 | Confident | 90.7 | Very high | 189 Ų | 189 | 89.2 Ų | 89.2 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -110.2 | 87.6 | -178.4 | -62.1 | -174.1 | -173.6 | 0 | 0 | 110.3 | K90 | K90-E92 PolarHBondContact O-N 3.33Š|
| 93 | G | 83.1 | Confident | 90.6 | Very high | 49 Ų | 49 | 91.4 Ų | 91.4 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 99.2 | -155.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 94 | H | 83.9 | Confident | 90.5 | Very high | 202 Ų | 202 | 95.8 Ų | 95.8 | 94% | 0.935 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -94.1 | 109.8 | -176.7 | -61.2 | -74 | 0 | 0 | 0 | 110.1 | ||
| 95 | G | 87.1 | Confident | 90.5 | Very high | 24 Ų | 24 | 96.8 Ų | 96.8 | 25% | 0.247 | 47% | 0.468 | C | S | . | . | trans | 167.8 | 166.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K90 | K90-G95 PolarHBondContact N-O 2.8Š| ||
| 96 | F | 87.2 | Confident | 90.5 | Very high | 119 Ų | 119 | 100.2 Ų | 100.2 | 52% | 0.522 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.1 | 174.8 | -60.7 | -84.3 | 0 | 0 | 0 | 110.2 | K87 E88 Q89 | K87-F96 HydrophobicContact CD-CD1 4.45Å; K87-F96 VanDerWaalsContact CE-CD1 3.5Å; K87-F96 VanDerWaalsContact CE-CG 3.46Å; K87-F96 HydrophobicContact CG-CB 4.29Å; K87-F96 HydrophobicContact CG-CD1 4.2Å; K87-F96 HydrophobicContact CG-CG 4.49Å; E88-F96 CarbonylContact O-C 3.57Å; E88-F96 WeakPolarHBondContact O-CA 3.28Å; Q89-F96 HydrophobicContact CB-CD1 4.17Å; Q89-F96 HydrophobicContact CB-CE1 4.13Å; Q89-F96 HydrophobicContact CG-CE1 4.32Å |
| 97 | T | 85 | Confident | 90.6 | Very high | 43 Ų | 43 | 99.6 Ų | 99.6 | 26% | 0.264 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.7 | 159.8 | -55.3 | 0 | 0 | 0 | 0 | 107.1 | K87 E88 L99 | K87-T97 WeakPolarHBondContact CA-O 3.16Å; E88-T97 PolarHBondContact N-O 2.85Å; E88-T97 PolarHBondContact O-N 3.21Å; T97-L99 HydrophobicContact CG2-CD2 4.41Å; T97-L99 HydrophobicContact CG2-CG 4.3Å |
| 98 | T | 89.8 | Confident | 90.7 | Very high | 91 Ų | 91 | 95.3 Ų | 95.3 | 56% | 0.558 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.9 | 174.7 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | H86 | H86-T98 CarbonylContact O-C 3.49Å; H86-T98 VanDerWaalsContact O-CA 3.31Å; H86-T98 WeakPolarHBondContact O-CA 3.49Å |
| 99 | L | 91.8 | Very high | 90.9 | Very high | 64 Ų | 64 | 101 Ų | 101 | 34% | 0.335 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.8 | 176.8 | -61 | 177.2 | 0 | 0 | 0 | 108.4 | H65 F66 Q85 H86 T97 | H65-L99 HydrophobicContact CB-CD1 3.69Å; F66-L99 HydrophobicContact CE1-CB 3.98Å; F66-L99 HydrophobicContact CZ-CB 3.67Å; Q85-L99 WeakPolarHBondContact CA-O 3.39Å; H86-L99 HydrophobicContact CB-CB 4.49Å; H86-L99 PolarHBondContact N-O 2.83Å; H86-L99 PolarHBondContact O-N 3.23Å; T97-L99 HydrophobicContact CG2-CD2 4.41Å; T97-L99 HydrophobicContact CG2-CG 4.3Å |
| 100 | Q | 94.4 | Very high | 91 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.1 | 176.7 | 178.6 | 171 | 1.3 | 0 | 0 | 110.4 | G84 Q85 | G84-Q100 CarbonylContact O-C 3.58Å; G84-Q100 VanDerWaalsContact O-CA 3.23Å; G84-Q100 WeakPolarHBondContact O-CA 3.28Å; Q85-Q100 HydrophobicContact CG-CB 4.42Å; Q85-Q100 HydrophobicContact CG-CG 3.83Å |
| 101 | F | 94.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 91.8 Ų | 91.8 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.6 | 167.5 | 76.1 | -91 | 0 | 0 | 0 | 112 | V63 F66 L71 V82 Q83 G84 R103 | V63-F101 HydrophobicContact CG1-CE1 4.38Å; V63-F101 HydrophobicContact CG1-CZ 3.99Å; F66-F101 HydrophobicContact CD1-CE1 4.29Å; F66-F101 HydrophobicContact CD2-CD1 4.19Å; F66-F101 AromaticContact CD2-CE1 3.77Å; F66-F101 HydrophobicContact CD2-CE1 3.77Å; F66-F101 AromaticContact CE1-CD1 3.96Å; F66-F101 HydrophobicContact CE1-CD1 3.96Å; F66-F101 HydrophobicContact CE1-CE1 4.13Å; F66-F101 AromaticContact CE2-CD1 3.52Å; F66-F101 HydrophobicContact CE2-CD1 3.52Å; F66-F101 AromaticContact CE2-CE1 3.59Å; F66-F101 HydrophobicContact CE2-CE1 3.59Å; F66-F101 HydrophobicContact CG-CE1 4.14Å; F66-F101 AromaticContact CZ-CD1 3.41Å; F66-F101 HydrophobicContact CZ-CD1 3.41Å; F66-F101 VanDerWaalsContact CZ-CD1 3.41Å; F66-F101 AromaticContact CZ-CE1 3.8Å; F66-F101 HydrophobicContact CZ-CE1 3.8Å; L71-F101 HydrophobicContact CD2-CE1 3.94Å; L71-F101 HydrophobicContact CD2-CZ 3.88Å; V82-F101 HydrophobicContact CB-CE2 4.09Å; V82-F101 HydrophobicContact CG1-CE2 3.59Å; V82-F101 HydrophobicContact CG1-CZ 3.8Å; Q83-F101 WeakPolarHBondContact CA-O 3.47Å; G84-F101 PolarHBondContact N-O 2.82Å; G84-F101 PolarHBondContact O-N 2.96Å; F101-R103 HydrophobicContact CD2-CG 4.07Å |
| 102 | N | 95.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 84 Ų | 84 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 127 | 167.7 | -176.6 | -76.6 | 0 | 0 | 0 | 108.1 | V82 Q83 | V82-N102 CarbonylContact O-C 3.52Å; V82-N102 WeakPolarHBondContact O-CA 3.37Å; Q83-N102 WeakPolarHBondContact CG-ND2 3.36Å; Q83-N102 PolarHBondContact NE2-ND2 2.95Å |
| 103 | R | 95.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 78.2 Ų | 78.2 | 17% | 0.17 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.7 | 177.7 | -71.4 | -176.6 | -174.5 | 171.5 | 1.3 | 110.9 | S46 E81 V82 F101 Y105 | S46-R103 VanDerWaalsContact CA-NH2 3.28Å; S46-R103 PolarHBondContact O-NH1 3.14Å; S46-R103 PolarHBondContact O-NH2 2.83Å; S46-R103 PolarHBondContact OG-NH1 2.83Å; S46-R103 PolarHBondContact OG-NH2 3.4Å; E81-R103 CarbonylContact C-O 3.57Å; E81-R103 VanDerWaalsContact CA-O 3.28Å; E81-R103 WeakPolarHBondContact CA-O 3.39Å; V82-R103 PolarHBondContact N-O 2.97Å; V82-R103 PolarHBondContact O-N 2.91Å; F101-R103 HydrophobicContact CD2-CG 4.07Å; R103-Y105 HydrophobicContact CB-CE2 3.99Å; R103-Y105 WeakPolarHBondContact CD-OH 3.35Å |
| 104 | R | 96.4 | Very high | 93 | Very high | 130 Ų | 130 | 84.4 Ų | 84.4 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.4 | -178.1 | -58.4 | -178.9 | 66 | -155.6 | -4.6 | 109.1 | F79 V80 E81 | F79-R104 HydrophobicContact CD1-CB 4.18Å; V80-R104 CarbonylContact O-C 3.57Å; V80-R104 VanDerWaalsContact O-CA 3.32Å; V80-R104 WeakPolarHBondContact O-CA 3.48Å; E81-R104 HydrophobicContact CB-CG 4.34Å; E81-R104 HydrophobicContact CG-CG 3.91Å; E81-R104 WeakPolarHBondContact OE1-CD 3.43Å; E81-R104 IonicContact OE1-CZ 3.72Å; E81-R104 IonicContact OE1-NE 2.75Å; E81-R104 PolarHBondContact OE1-NE 3.32Å; E81-R104 IonicContact OE1-NH2 3.93Å |
| 105 | Y | 96.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 76.8 Ų | 76.8 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.4 | 178 | -52.6 | -77.6 | 0 | 0 | 0 | 108.6 | A48 V50 V59 V61 F79 V80 V82 R103 I107 | A48-Y105 HydrophobicContact CB-CE1 3.64Å; A48-Y105 WeakPolarHBondContact CB-OH 3.43Å; V50-Y105 HydrophobicContact CG2-CD1 3.77Å; V50-Y105 HydrophobicContact CG2-CE1 4.19Å; V59-Y105 HydrophobicContact CG1-CD1 3.94Å; V59-Y105 HydrophobicContact CG1-CD2 3.76Å; V59-Y105 HydrophobicContact CG1-CE1 3.89Å; V59-Y105 HydrophobicContact CG1-CE2 3.67Å; V59-Y105 HydrophobicContact CG1-CG 3.87Å; V59-Y105 HydrophobicContact CG2-CD2 4.39Å; V59-Y105 HydrophobicContact CG2-CG 4.07Å; V61-Y105 HydrophobicContact CG2-CE2 3.93Å; V61-Y105 VanDerWaalsContact CG2-OH 3.27Å; V61-Y105 WeakPolarHBondContact CG2-OH 3.49Å; F79-Y105 CarbonylContact C-O 3.51Å; F79-Y105 VanDerWaalsContact CA-O 3.25Å; F79-Y105 WeakPolarHBondContact CA-O 3.4Å; V80-Y105 PolarHBondContact N-O 2.86Å; V80-Y105 PolarHBondContact O-N 2.85Å; V82-Y105 HydrophobicContact CG2-CD2 4.31Å; V82-Y105 HydrophobicContact CG2-CE2 3.89Å; R103-Y105 HydrophobicContact CB-CE2 3.99Å; R103-Y105 WeakPolarHBondContact CD-OH 3.35Å; Y105-I107 PolarHBondContact O-N 2.73Å |
| 106 | R | 96.1 | Very high | 94 | Very high | 178 Ų | 178 | 77.6 Ų | 77.6 | 67% | 0.672 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 128.7 | 179.3 | -169.2 | 177 | -173.5 | 164 | 4.5 | 109.1 | D78 F79 P108 | D78-R106 CarbonylContact O-C 3.58Å; D78-R106 WeakPolarHBondContact O-CA 3.26Å; F79-R106 HydrophobicContact CD1-CB 4.05Å; F79-R106 HydrophobicContact CE1-CB 3.76Å; F79-R106 HydrophobicContact CE1-CG 4.09Å; F79-R106 HydrophobicContact CZ-CB 4.44Å; F79-R106 HydrophobicContact CZ-CG 4.28Å; R106-P108 WeakPolarHBondContact O-CD 3.36Å |
| 107 | I | 96.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 78.1 Ų | 78.1 | 5% | 0.046 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 121 | 174.8 | -57.7 | 171.2 | 0 | 0 | 0 | 107.7 | V75 D78 V80 Y105 V111 I113 | V75-I107 HydrophobicContact CG1-CD1 3.86Å; V75-I107 HydrophobicContact CG2-CD1 4.47Å; D78-I107 PolarHBondContact O-N 2.78Å; V80-I107 HydrophobicContact CG2-CD1 3.71Å; V80-I107 HydrophobicContact CG2-CG1 3.73Å; Y105-I107 PolarHBondContact O-N 2.73Å; I107-V111 HydrophobicContact CG2-CB 3.74Å; I107-V111 HydrophobicContact CG2-CG1 3.98Å; I107-V111 HydrophobicContact CG2-CG2 4.16Å; I107-I113 HydrophobicContact CD1-CD1 4.39Å; I107-I113 HydrophobicContact CD1-CG1 4.42Å; I107-I113 HydrophobicContact CG2-CD1 4.45Å; I107-I113 HydrophobicContact CG2-CG1 4.2Å |
| 108 | P | 94.5 | Very high | 95.1 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 152.1 | 174.2 | -25.5 | 37.6 | 0 | 0 | 0 | 112.1 | C52 F57 R106 V111 | C52-P108 HydrophobicContact CB-CG 4.25Å; F57-P108 HydrophobicContact CD2-CG 4Å; F57-P108 HydrophobicContact CE2-CG 4.41Å; R106-P108 WeakPolarHBondContact O-CD 3.36Å; P108-V111 HydrophobicContact CB-CG2 4.23Å; P108-V111 WeakPolarHBondContact O-CG2 3.23Å; P108-V111 PolarHBondContact O-N 3.33Å |
| 109 | K | 92.9 | Very high | 95.4 | Very high | 208 Ų | 208 | 77.8 Ų | 77.8 | 90% | 0.904 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 142.2 | 172.2 | -68.4 | -174.2 | 177.9 | -176.3 | 0 | 109.6 | ||
| 110 | G | 93 | Very high | 95.7 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -5.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | M132 L133 | G110-M132 CarbonylContact O-C 3.47Å; G110-L133 VanDerWaalsContact O-CB 3.29Å; G110-L133 WeakPolarHBondContact O-CB 3.44Å; G110-L133 WeakPolarHBondContact O-CG 3.29Å; G110-L133 PolarHBondContact O-N 3.16Å |
| 111 | V | 96 | Very high | 95.7 | Very high | 8 Ų | 8 | 72.3 Ų | 72.3 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 136.8 | 170.9 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | F57 I107 P108 I113 A130 M132 | F57-V111 HydrophobicContact CB-CG1 4.16Å; F57-V111 HydrophobicContact CB-CG2 3.6Å; F57-V111 HydrophobicContact CG-CG2 4.31Å; I107-V111 HydrophobicContact CG2-CB 3.74Å; I107-V111 HydrophobicContact CG2-CG1 3.98Å; I107-V111 HydrophobicContact CG2-CG2 4.16Å; P108-V111 HydrophobicContact CB-CG2 4.23Å; P108-V111 WeakPolarHBondContact O-CG2 3.23Å; P108-V111 PolarHBondContact O-N 3.33Å; V111-I113 PolarHBondContact O-N 3.38Å; V111-I113 VanDerWaalsContact O-N 3.09Å; V111-A130 HydrophobicContact CG1-CB 3.41Å; V111-A130 VanDerWaalsContact CG1-CB 3.41Å; V111-M132 HydrophobicContact CG2-CE 4.47Å; V111-M132 HydrophobicContact CG2-SD 3.82Å |
| 112 | N | 95.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 77.1 Ų | 77.1 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | trans | -79.2 | 88.5 | 173.3 | -173.2 | -3.5 | 0 | 0 | 0 | 110.5 | M114 A115 P131 L133 | N112-M114 PolarHBondContact O-N 3.16Å; N112-M114 PolarHBondContact OD1-N 3.09Å; N112-A115 HydrophobicContact CB-CB 4.27Å; N112-A115 PolarHBondContact O-N 3.43Å; N112-P131 HydrophobicContact CB-CG 4.21Å; N112-P131 WeakPolarHBondContact CB-O 3.29Å; N112-P131 PolarHBondContact N-O 3.24Å; N112-L133 HydrophobicContact CB-CD2 3.58Å; N112-L133 HydrophobicContact CB-CG 3.96Å | ||
| 113 | I | 95.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 35% | 0.354 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -59.4 | -30.8 | -179.2 | -58.3 | 174.9 | 0 | 0 | 0 | 112.1 | V75 I107 V111 A115 L116 | V75-I113 HydrophobicContact CG1-CG2 3.98Å; V75-I113 HydrophobicContact CG2-CG2 4.21Å; I107-I113 HydrophobicContact CD1-CD1 4.39Å; I107-I113 HydrophobicContact CD1-CG1 4.42Å; I107-I113 HydrophobicContact CG2-CD1 4.45Å; I107-I113 HydrophobicContact CG2-CG1 4.2Å; V111-I113 PolarHBondContact O-N 3.38Å; V111-I113 VanDerWaalsContact O-N 3.09Å; I113-A115 PolarHBondContact O-N 3.21Å; I113-L116 VanDerWaalsContact O-CB 3.23Å; I113-L116 WeakPolarHBondContact O-CB 3.38Å; I113-L116 PolarHBondContact O-N 3.34Å; I113-L116 VanDerWaalsContact O-N 3.16Å |
| 114 | M | 95.1 | Very high | 95.6 | Very high | 178 Ų | 178 | 78.3 Ų | 78.3 | 88% | 0.877 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -70.5 | -20.6 | -180 | -64.1 | -58 | -59.6 | 0 | 0 | 113.1 | N112 | N112-M114 PolarHBondContact O-N 3.16Å; N112-M114 PolarHBondContact OD1-N 3.09Å |
| 115 | A | 96.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 73.9 Ų | 73.9 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -102 | 15.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N112 I113 E117 P131 | N112-A115 HydrophobicContact CB-CB 4.27Å; N112-A115 PolarHBondContact O-N 3.43Å; I113-A115 PolarHBondContact O-N 3.21Å; A115-E117 PolarHBondContact O-N 2.88Å; A115-P131 HydrophobicContact CB-CG 3.87Å |
| 116 | L | 97 | Very high | 95.7 | Very high | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | trans | -71.3 | 128.2 | 176.4 | -173.6 | 136.7 | 0 | 0 | 0 | 110.4 | V75 V80 I113 I128 S129 A130 | V75-L116 HydrophobicContact CG2-CD2 4.32Å; V80-L116 HydrophobicContact CG2-CD1 3.76Å; I113-L116 VanDerWaalsContact O-CB 3.23Å; I113-L116 WeakPolarHBondContact O-CB 3.38Å; I113-L116 PolarHBondContact O-N 3.34Å; I113-L116 VanDerWaalsContact O-N 3.16Å; L116-I128 HydrophobicContact CD1-CG2 4.02Å; L116-I128 HydrophobicContact CD2-CG2 3.92Å; L116-I128 HydrophobicContact CG-CG2 4.04Å; L116-S129 WeakPolarHBondContact CA-O 3.25Å; L116-A130 HydrophobicContact CB-CB 3.93Å; L116-A130 HydrophobicContact CD1-CB 4.08Å; L116-A130 HydrophobicContact CG-CB 4.2Å | ||
| 117 | E | 97.3 | Very high | 95.7 | Very high | 131 Ų | 131 | 67.4 Ų | 67.4 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 162 | 179.2 | 65.9 | -174.8 | 169.8 | 0 | 0 | 110.8 | A115 I128 S129 | A115-E117 PolarHBondContact O-N 2.88Å; E117-I128 WeakPolarHBondContact O-CA 3.16Å; E117-S129 PolarHBondContact N-O 3.17Å; E117-S129 PolarHBondContact O-N 3.48Å |
| 118 | S | 97.1 | Very high | 95.8 | Very high | 63 Ų | 63 | 67 Ų | 67 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 143.1 | 176.1 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | I127 | S118-I127 CarbonylContact C-O 3.57Å; S118-I127 WeakPolarHBondContact CA-O 3.38Å |
| 119 | A | 97.1 | Very high | 96 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 149.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I127 | A119-I127 PolarHBondContact N-O 2.9Å; A119-I127 PolarHBondContact O-N 2.71Å |
| 120 | V | 96.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.5 | 173 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | V63 L71 V125 L126 | V63-V120 HydrophobicContact CG2-CG1 4.05Å; L71-V120 HydrophobicContact CD1-CG2 4.01Å; V120-V125 CarbonylContact C-O 3.59Å; V120-V125 WeakPolarHBondContact CA-O 3.25Å; V120-L126 HydrophobicContact CG2-CB 4.31Å; V120-L126 HydrophobicContact CG2-CD1 3.79Å |
| 121 | S | 95.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -76.3 | 157.7 | 175.9 | 90 | 0 | 0 | 0 | 0 | 111.5 | E123 G124 V125 | S121-E123 VanDerWaalsContact CB-OE2 3.25Å; S121-E123 WeakPolarHBondContact CB-OE2 3.46Å; S121-E123 PolarHBondContact O-N 2.94Å; S121-E123 VanDerWaalsContact O-N 3.14Å; S121-E123 PolarHBondContact OG-N 2.82Å; S121-E123 PolarHBondContact OG-OE2 2.79Å; S121-G124 PolarHBondContact O-N 2.89Å; S121-V125 PolarHBondContact N-O 2.98Å; S121-V125 PolarHBondContact OG-N 3.1Å | ||
| 122 | P | 94 | Very high | 96.3 | Very high | 132 Ų | 132 | 59.6 Ų | 59.6 | 86% | 0.857 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.1 | 175 | -25.5 | 35.6 | 0 | 0 | 0 | 114.4 | G124 | P122-G124 PolarHBondContact O-N 2.83Š|
| 123 | E | 93.9 | Very high | 96.2 | Very high | 143 Ų | 143 | 61.7 Ų | 61.7 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.4 | 178.2 | -55.3 | 71.9 | -154.4 | 0 | 0 | 112.9 | S121 | S121-E123 VanDerWaalsContact CB-OE2 3.25Å; S121-E123 WeakPolarHBondContact CB-OE2 3.46Å; S121-E123 PolarHBondContact O-N 2.94Å; S121-E123 VanDerWaalsContact O-N 3.14Å; S121-E123 PolarHBondContact OG-N 2.82Å; S121-E123 PolarHBondContact OG-OE2 2.79Å |
| 124 | G | 95.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 67 Ų | 67 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 81.1 | 34.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V63 K64 S121 P122 | V63-G124 CarbonylContact C-O 3.53Å; V63-G124 VanDerWaalsContact CG2-O 3.28Å; V63-G124 WeakPolarHBondContact CG2-O 3.37Å; V63-G124 PolarHBondContact N-O 3Å; K64-G124 PolarHBondContact N-O 3.46Å; S121-G124 PolarHBondContact O-N 2.89Å; P122-G124 PolarHBondContact O-N 2.83Å |
| 125 | V | 96.5 | Very high | 94.2 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.7 | 174 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | Q60 V61 V120 S121 I127 | Q60-V125 HydrophobicContact CB-CG1 4Å; V61-V125 WeakPolarHBondContact O-CA 2.86Å; V120-V125 CarbonylContact C-O 3.59Å; V120-V125 WeakPolarHBondContact CA-O 3.25Å; S121-V125 PolarHBondContact N-O 2.98Å; S121-V125 PolarHBondContact OG-N 3.1Å; V125-I127 HydrophobicContact CG1-CG1 4.27Å |
| 126 | L | 97.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.7 | 169.7 | 172.2 | 66.8 | 0 | 0 | 0 | 108.8 | Q60 V61 V63 V73 V82 V120 I128 | Q60-L126 CarbonylContact C-O 3.55Å; Q60-L126 WeakPolarHBondContact CA-O 3.29Å; V61-L126 HydrophobicContact CB-CB 4.32Å; V61-L126 PolarHBondContact N-O 3.06Å; V61-L126 PolarHBondContact O-N 2.97Å; V63-L126 HydrophobicContact CG1-CB 3.92Å; V63-L126 HydrophobicContact CG2-CB 3.88Å; V73-L126 HydrophobicContact CG2-CD1 4.32Å; V73-L126 HydrophobicContact CG2-CD2 3.81Å; V82-L126 HydrophobicContact CG1-CD2 3.51Å; V82-L126 HydrophobicContact CG2-CD2 4.22Å; V120-L126 HydrophobicContact CG2-CB 4.31Å; V120-L126 HydrophobicContact CG2-CD1 3.79Å; L126-I128 HydrophobicContact CD1-CG1 4.4Å; L126-I128 HydrophobicContact CD2-CD1 4.02Å; L126-I128 HydrophobicContact CD2-CG1 4.43Å; L126-I128 HydrophobicContact CG-CD1 4.23Å; L126-I128 HydrophobicContact CG-CG1 4.18Å |
| 127 | I | 97.7 | Very high | 90.4 | Very high | 60 Ų | 60 | 74 Ų | 74 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128 | 175.1 | -55.2 | 173.2 | 0 | 0 | 0 | 107.7 | T58 V59 Q60 S118 A119 V125 | T58-I127 HydrophobicContact CG2-CG2 4.13Å; V59-I127 CarbonylContact O-C 3.58Å; V59-I127 WeakPolarHBondContact O-CA 3.43Å; Q60-I127 HydrophobicContact CG-CG1 4.37Å; S118-I127 CarbonylContact C-O 3.57Å; S118-I127 WeakPolarHBondContact CA-O 3.38Å; A119-I127 PolarHBondContact N-O 2.9Å; A119-I127 PolarHBondContact O-N 2.71Å; V125-I127 HydrophobicContact CG1-CG1 4.27Å |
| 128 | I | 98.3 | Very high | 88 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.8 | 173.1 | -61 | 150.8 | 0 | 0 | 0 | 107.1 | T58 V59 V73 V80 V82 L116 E117 L126 | T58-I128 CarbonylContact C-O 3.56Å; T58-I128 VanDerWaalsContact CA-O 3.29Å; T58-I128 WeakPolarHBondContact CA-O 3.38Å; V59-I128 HydrophobicContact CB-CB 4.35Å; V59-I128 PolarHBondContact N-O 2.81Å; V59-I128 PolarHBondContact O-N 2.69Å; V73-I128 HydrophobicContact CG1-CD1 4.08Å; V73-I128 HydrophobicContact CG1-CG1 4.25Å; V73-I128 HydrophobicContact CG2-CD1 4.43Å; V80-I128 HydrophobicContact CG1-CD1 4.02Å; V80-I128 HydrophobicContact CG1-CG2 4.29Å; V80-I128 HydrophobicContact CG2-CG2 4.48Å; V82-I128 HydrophobicContact CG2-CD1 3.5Å; L116-I128 HydrophobicContact CD1-CG2 4.02Å; L116-I128 HydrophobicContact CD2-CG2 3.92Å; L116-I128 HydrophobicContact CG-CG2 4.04Å; E117-I128 WeakPolarHBondContact O-CA 3.16Å; L126-I128 HydrophobicContact CD1-CG1 4.4Å; L126-I128 HydrophobicContact CD2-CD1 4.02Å; L126-I128 HydrophobicContact CD2-CG1 4.43Å; L126-I128 HydrophobicContact CG-CD1 4.23Å; L126-I128 HydrophobicContact CG-CG1 4.18Å |
| 129 | S | 97.7 | Very high | 85.5 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149 | -176.4 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | F57 L116 E117 | F57-S129 CarbonylContact O-C 3.54Å; F57-S129 VanDerWaalsContact O-CA 3.25Å; F57-S129 WeakPolarHBondContact O-CA 3.34Å; L116-S129 WeakPolarHBondContact CA-O 3.25Å; E117-S129 PolarHBondContact N-O 3.17Å; E117-S129 PolarHBondContact O-N 3.48Å |
| 130 | A | 97.1 | Very high | 83 | Confident | 6 Ų | 6 | 83.5 Ų | 83.5 | 5% | 0.05 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 139.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G56 F57 V111 L116 | G56-A130 CarbonylContact C-O 3.52Å; G56-A130 VanDerWaalsContact CA-O 3.29Å; G56-A130 WeakPolarHBondContact CA-O 3.36Å; F57-A130 PolarHBondContact N-O 2.84Å; F57-A130 PolarHBondContact O-N 3.05Å; V111-A130 HydrophobicContact CG1-CB 3.41Å; V111-A130 VanDerWaalsContact CG1-CB 3.41Å; L116-A130 HydrophobicContact CB-CB 3.93Å; L116-A130 HydrophobicContact CD1-CB 4.08Å; L116-A130 HydrophobicContact CG-CB 4.2Å |
| 131 | P | 96.9 | Very high | 80.6 | Confident | 58 Ų | 58 | 89 Ų | 89 | 38% | 0.377 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 159.4 | 176.9 | 30.2 | -33.5 | 0 | 0 | 0 | 111.4 | N112 A115 | N112-P131 HydrophobicContact CB-CG 4.21Å; N112-P131 WeakPolarHBondContact CB-O 3.29Å; N112-P131 PolarHBondContact N-O 3.24Å; A115-P131 HydrophobicContact CB-CG 3.87Å |
| 132 | M | 95.4 | Very high | 78.8 | Confident | 51 Ų | 51 | 96.5 Ų | 96.5 | 25% | 0.251 | 53% | 0.534 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 144.8 | 163.2 | -73.9 | -60.6 | -159.9 | 0 | 0 | 110.3 | I55 G110 V111 Q134 | I55-M132 PolarHBondContact O-N 3.23Å; I55-M132 VanDerWaalsContact O-N 3.17Å; G110-M132 CarbonylContact O-C 3.47Å; V111-M132 HydrophobicContact CG2-CE 4.47Å; V111-M132 HydrophobicContact CG2-SD 3.82Å; M132-Q134 PolarHBondContact O-N 3.14Å |
| 133 | L | 93.3 | Very high | 78.1 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -61 | 119.6 | 169.5 | -71.6 | 167.6 | 0 | 0 | 0 | 108.1 | G110 N112 I135 | G110-L133 VanDerWaalsContact O-CB 3.29Å; G110-L133 WeakPolarHBondContact O-CB 3.44Å; G110-L133 WeakPolarHBondContact O-CG 3.29Å; G110-L133 PolarHBondContact O-N 3.16Å; N112-L133 HydrophobicContact CB-CD2 3.58Å; N112-L133 HydrophobicContact CB-CG 3.96Å; L133-I135 PolarHBondContact O-N 3.25Å; L133-I135 VanDerWaalsContact O-N 3.14Å |
| 134 | Q | 80.4 | Confident | 77.2 | Confident | 179 Ų | 179 | 92.2 Ų | 92.2 | 84% | 0.836 | 51% | 0.51 | S | S | * | . | trans | -69.5 | 111.6 | 169.4 | -59.9 | -128.1 | -18.6 | 0 | 0 | 107.4 | M132 E136 | M132-Q134 PolarHBondContact O-N 3.14Å; Q134-E136 PolarHBondContact O-N 2.84Å | ||
| 135 | I | 67.5 | Low | 76.2 | Confident | 160 Ų | 160 | 96.7 Ų | 96.7 | 82% | 0.821 | 53% | 0.532 | S | S | * | . | trans | -73.2 | 81.4 | 171.8 | -55.8 | 170.7 | 0 | 0 | 0 | 106.7 | L133 G137 | L133-I135 PolarHBondContact O-N 3.25Å; L133-I135 VanDerWaalsContact O-N 3.14Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3Å | ||
| 136 | E | 59.6 | Low | 75 | Confident | 191 Ų | 191 | 100.1 Ų | 100.1 | 89% | 0.893 | 55% | 0.549 | S | S | * | . | trans | -76.6 | 86.4 | 176 | -150.7 | 170.9 | -164.7 | 0 | 0 | 108 | Q134 | Q134-E136 PolarHBondContact O-N 2.84Š| ||
| 137 | G | 54.5 | Low | 73.6 | Confident | 58 Ų | 58 | 106.1 Ų | 106.1 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | trans | 171.5 | 34.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | I135 | I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3Å | ||
| 138 | T | 45.5 | Very low | 72 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 72% | 0.718 | 60% | 0.601 | S | S | * | * | trans | -149.2 | 76.8 | 145.6 | -38.4 | 0 | 0 | 0 | 0 | 109.3 | C140 | T138-C140 PolarHBondContact O-N 2.95Š| ||
| 139 | R | 45.7 | Very low | 70.1 | Confident | 235 Ų | 235 | 117 Ų | 117 | 89% | 0.887 | 64% | 0.644 | S | S | * | * | trans | -59.8 | 100.8 | 146 | -85.8 | 178.5 | 159.5 | 156.1 | -3.8 | 104.9 | L141 | R139-L141 VanDerWaalsContact C-N 3.3Å; R139-L141 PolarHBondContact O-N 2.87Å | ||
| 140 | C | 43.3 | Very low | 68 | Low | 105 Ų | 105 | 123.8 Ų | 123.8 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | trans | -55.4 | 104.1 | 164.9 | -71.5 | 0 | 0 | 0 | 0 | 106.1 | T138 S142 | T138-C140 PolarHBondContact O-N 2.95Å; C140-S142 VanDerWaalsContact C-N 3.35Å; C140-S142 PolarHBondContact O-N 3.12Å; C140-S142 VanDerWaalsContact O-N 3.12Å | ||
| 141 | L | 46.6 | Very low | 65.6 | Low | 176 Ų | 176 | 133.7 Ų | 133.7 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 101.8 | 162.5 | -64.5 | 174.3 | 0 | 0 | 0 | 105.3 | R139 | R139-L141 VanDerWaalsContact C-N 3.3Å; R139-L141 PolarHBondContact O-N 2.87Å | ||
| 142 | S | 58.5 | Low | 62.7 | Low | 183 Ų | 183 | 140.5 Ų | 140.5 | 100% | 1.28 | 76% | 0.763 | S | S | * | * | trans | -123.8 | 0 | 159.3 | 70.1 | 0 | 0 | 0 | 0 | 108.4 | C140 | C140-S142 VanDerWaalsContact C-N 3.35Å; C140-S142 PolarHBondContact O-N 3.12Å; C140-S142 VanDerWaalsContact O-N 3.12Å |
Retrieved 142 of 142 residues in 55.9 ms
(Link to these results)