| 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 | E | 35.2 | Very low | 34.6 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 100% | 1.126 | 83% | 0.827 | S | S | * | * | 0 | 104 | 0 | -79.1 | 162.3 | 83 | 0 | 0 | 107.1 | |||||
| 2 | L | 34.9 | Very low | 35.2 | Very low | 169 Ų | 169 | 163.8 Ų | 163.8 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | 60.1 | 113.6 | 53.5 | -145.6 | 110.4 | 0 | 0 | 0 | 109.7 | |||||
| 3 | G | 31.2 | Very low | 35.5 | Very low | 61 Ų | 61 | 164.5 Ų | 164.5 | 63% | 0.629 | 84% | 0.837 | S | S | * | * | cis | 174.7 | 174.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | E | 33.5 | Very low | 35.4 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | 64 | 135.9 | 150.7 | -67.5 | 166.3 | 91.7 | 0 | 0 | 118.4 | ||||
| 5 | G | 29.3 | Very low | 36.1 | Very low | 63 Ų | 63 | 155.3 Ų | 155.3 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | cis | 137.4 | 129 | 12.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | R | 33.5 | Very low | 36.8 | Very low | 223 Ų | 223 | 153.3 Ų | 153.3 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | 74.2 | 121.7 | 154.2 | -46.7 | 179.7 | -174.6 | 170.5 | 3.7 | 118.9 | ||||
| 7 | H | 36 | Very low | 37 | Very low | 175 Ų | 175 | 158.7 Ų | 158.7 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | -171.7 | 135.9 | 88.1 | -91.9 | 158.8 | 0 | 0 | 0 | 112.2 | |||||
| 8 | E | 37.1 | Very low | 37.7 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -71.5 | 135.8 | 168.4 | -63.5 | 155 | 99.5 | 0 | 0 | 110 | ||||
| 9 | Q | 34.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 157.1 Ų | 157.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -132.7 | 101.9 | 149.2 | -78.6 | -171.6 | 2.6 | 0 | 0 | 109 | E11 | Q9-E11 PolarHBondContact O-N 3.44Š| ||
| 10 | S | 37.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 105.8 | 162 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 11 | E | 38.3 | Very low | 38.9 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -102.4 | 100.8 | 166 | -68.6 | -161.5 | 123.6 | 0 | 0 | 109.3 | Q9 L13 | Q9-E11 PolarHBondContact O-N 3.44Å; E11-L13 PolarHBondContact O-N 3.19Å | ||
| 12 | K | 40.9 | Very low | 39.3 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 94 | 175.8 | -164.4 | 180 | -169.1 | -175.3 | 0 | 107.9 | ||||
| 13 | L | 40.2 | Very low | 39.8 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -92.4 | 119.8 | 166.9 | -161.6 | 73.4 | 0 | 0 | 0 | 110.3 | E11 | E11-L13 PolarHBondContact O-N 3.19Š| ||
| 14 | S | 33.9 | Very low | 40.9 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -51 | 130.7 | -172.8 | -168.2 | 0 | 0 | 0 | 0 | 114.3 | N16 | S14-N16 PolarHBondContact O-N 3.24Š| ||
| 15 | S | 46.1 | Very low | 41.6 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -35.6 | 127.2 | 143.3 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 16 | N | 47.3 | Very low | 42.5 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | 168.1 | 71.3 | 146.5 | -79 | -26.7 | 0 | 0 | 0 | 110.5 | S14 | S14-N16 PolarHBondContact O-N 3.24Š| ||
| 17 | Y | 40.1 | Very low | 43 | Very low | 245 Ų | 245 | 139.6 Ų | 139.6 | 96% | 0.961 | 80% | 0.795 | S | S | * | * | trans | -147.7 | 76 | 150.1 | -79.6 | -71.7 | 0 | 0 | 0 | 108.3 | ||||
| 18 | L | 48.7 | Very low | 43.2 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 141.4 | 164.9 | -80 | 163.7 | 0 | 0 | 0 | 109.5 | ||||
| 19 | S | 47.3 | Very low | 43.9 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 86.8 | 76.8 | 157.3 | -153.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 20 | A | 41.6 | Very low | 44.6 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -113 | 99.4 | 137.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | V22 | A20-V22 PolarHBondContact O-N 2.85Š| ||
| 21 | G | 50.1 | Low | 45.3 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -58.7 | 107.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T23 | G21-T23 VanDerWaalsContact C-N 3.35Å; G21-T23 PolarHBondContact O-N 3.22Å; G21-T23 VanDerWaalsContact O-N 3.17Å | ||
| 22 | V | 43.4 | Very low | 46 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 94.5 | 162.5 | 173.5 | 0 | 0 | 0 | 0 | 106.3 | A20 V24 | A20-V22 PolarHBondContact O-N 2.85Å; V22-V24 PolarHBondContact O-N 3.46Å | ||
| 23 | T | 45.6 | Very low | 46.4 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 101.3 | 168.7 | -50.6 | 0 | 0 | 0 | 0 | 107.8 | G21 | G21-T23 VanDerWaalsContact C-N 3.35Å; G21-T23 PolarHBondContact O-N 3.22Å; G21-T23 VanDerWaalsContact O-N 3.17Å | ||
| 24 | V | 54.2 | Low | 46.5 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.4 | 163.1 | -66.1 | 0 | 0 | 0 | 0 | 107.8 | V22 A26 | V22-V24 PolarHBondContact O-N 3.46Å; V24-A26 PolarHBondContact O-N 3.01Å |
| 25 | P | 48.7 | Very low | 46.9 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 132.1 | 176.8 | 24.6 | -30 | 0 | 0 | 0 | 108.8 | V27 | P25-V27 PolarHBondContact O-N 2.78Š|
| 26 | A | 47.6 | Very low | 46.5 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V24 C28 | V24-A26 PolarHBondContact O-N 3.01Å; A26-C28 PolarHBondContact O-N 3.17Å |
| 27 | V | 44.2 | Very low | 46.4 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -26.8 | 128.3 | 162 | 163.4 | 0 | 0 | 0 | 0 | 112.2 | P25 T29 | P25-V27 PolarHBondContact O-N 2.78Å; V27-T29 PolarHBondContact O-N 3.27Å | ||
| 28 | C | 39.6 | Very low | 46.5 | Very low | 117 Ų | 117 | 119 Ų | 119 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -57.2 | 108.2 | 172 | -48.4 | 0 | 0 | 0 | 0 | 109.4 | A26 | A26-C28 PolarHBondContact O-N 3.17Š| ||
| 29 | T | 52.1 | Low | 46.4 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -80.8 | 146.6 | 163.7 | 60.4 | 0 | 0 | 0 | 0 | 108.6 | V27 G31 | V27-T29 PolarHBondContact O-N 3.27Å; T29-G31 PolarHBondContact O-N 3.01Å | ||
| 30 | S | 48.7 | Very low | 46.4 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 98% | 0.979 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -68.2 | 61.4 | -170.7 | -178.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 31 | G | 52.3 | Low | 46.1 | Very low | 53 Ų | 53 | 127.6 Ų | 127.6 | 55% | 0.546 | 78% | 0.784 | S | S | . | * | trans | -154 | 13.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | T29 | T29-G31 PolarHBondContact O-N 3.01Š| ||
| 32 | C | 53.1 | Low | 45.5 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -99.5 | 28.8 | -174.2 | 56 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 33 | L | 49.2 | Very low | 45.5 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -118 | 63.2 | 161.9 | -63.8 | 179.6 | 0 | 0 | 0 | 109.9 | ||||
| 34 | S | 42 | Very low | 45.4 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 104.5 | 168.9 | -67.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 35 | F | 42.4 | Very low | 44.8 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -72.2 | 138.1 | 164.2 | -68.3 | -86.7 | 0 | 0 | 0 | 109 | S37 | F35-S37 PolarHBondContact O-N 3.09Š| ||
| 36 | P | 39.2 | Very low | 44.6 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 116.6 | 177.1 | 26.1 | -29.4 | 0 | 0 | 0 | 110.1 | A38 | P36-A38 VanDerWaalsContact C-N 3.33Å; P36-A38 PolarHBondContact O-N 2.76Å | ||
| 37 | S | 44.3 | Very low | 44.2 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -67.9 | 89.7 | 166.8 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | F35 L39 | F35-S37 PolarHBondContact O-N 3.09Å; S37-L39 PolarHBondContact O-N 3.1Å | ||
| 38 | A | 43.1 | Very low | 44 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 92.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P36 R40 | P36-A38 VanDerWaalsContact C-N 3.33Å; P36-A38 PolarHBondContact O-N 2.76Å; A38-R40 PolarHBondContact O-N 3.13Å | ||
| 39 | L | 46.2 | Very low | 44.4 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -77 | 101.4 | 158.5 | 178.5 | 69.5 | 0 | 0 | 0 | 107.9 | S37 | S37-L39 PolarHBondContact O-N 3.1Š| ||
| 40 | R | 46.9 | Very low | 44.2 | Very low | 222 Ų | 222 | 141.6 Ų | 141.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -136.4 | 110.8 | 165.2 | -69.9 | -170 | 71.4 | -111.7 | 1.3 | 111.3 | A38 | A38-R40 PolarHBondContact O-N 3.13Š| ||
| 41 | E | 36.3 | Very low | 44.4 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -34.7 | 138.2 | 170 | -60.9 | -107.1 | 126.4 | 0 | 0 | 114.8 | ||||
| 42 | S | 37.3 | Very low | 44.1 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -123.7 | 136.4 | 167.8 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 43 | P | 42.3 | Very low | 44 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -70 | 133.2 | -171.6 | -16.4 | 30.3 | 0 | 0 | 0 | 113.3 | V45 | P43-V45 PolarHBondContact O-N 3.43Š| ||
| 44 | C | 44.8 | Very low | 43.5 | Very low | 110 Ų | 110 | 148 Ų | 148 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -59.5 | 111.6 | 171.2 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 45 | V | 40.8 | Very low | 43.9 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 67% | 0.667 | 81% | 0.81 | S | S | * | * | trans | -103.7 | 114.7 | 160.7 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | P43 Y47 | P43-V45 PolarHBondContact O-N 3.43Å; V45-Y47 HydrophobicContact CB-CE1 4.43Å; V45-Y47 HydrophobicContact CG1-CD1 3.91Å; V45-Y47 HydrophobicContact CG1-CE1 4.21Å; V45-Y47 PolarHBondContact O-N 2.74Å | ||
| 46 | K | 44.2 | Very low | 44.5 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -72.7 | 112.9 | 172.1 | -65 | -177.3 | -178.5 | 177.7 | 0 | 109 | ||||
| 47 | Y | 38.3 | Very low | 44.9 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -126.6 | 137.7 | 154.4 | 40.7 | -96.7 | 0 | 0 | 0 | 110.7 | V45 | V45-Y47 HydrophobicContact CB-CE1 4.43Å; V45-Y47 HydrophobicContact CG1-CD1 3.91Å; V45-Y47 HydrophobicContact CG1-CE1 4.21Å; V45-Y47 PolarHBondContact O-N 2.74Å | ||
| 48 | S | 41.9 | Very low | 45 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -64.8 | 151.2 | -172.4 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 49 | S | 47.8 | Very low | 45 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -37.9 | 131.8 | 176.4 | 43.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 50 | R | 46.3 | Very low | 44.9 | Very low | 249 Ų | 249 | 153 Ų | 153 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -152.4 | 118.8 | 132.9 | -109.6 | 167.3 | 94.1 | -174.5 | 6.6 | 111.3 | ||||
| 51 | S | 54.8 | Low | 44.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -41.6 | 127.4 | 172.6 | 162.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 52 | K | 44.6 | Very low | 45.1 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -151.8 | 127 | 141.6 | -96.6 | 166.7 | -172 | 176.9 | 0 | 106.5 | D54 | K52-D54 PolarHBondContact O-N 3.1Š| ||
| 53 | V | 50.9 | Low | 45.3 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -78.4 | 103.9 | -179 | 49.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 54 | D | 39.1 | Very low | 45.2 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -90.7 | 131.2 | 168.3 | -72.2 | -43.6 | 0 | 0 | 0 | 109.5 | K52 I56 | K52-D54 PolarHBondContact O-N 3.1Å; D54-I56 PolarHBondContact O-N 3.04Å | ||
| 55 | A | 51.5 | Low | 45.2 | Very low | 107 Ų | 107 | 150 Ų | 150 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -75.9 | 49.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 56 | I | 53.2 | Low | 45.3 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | trans | -141.8 | 74.3 | 178.4 | -49.3 | 175.6 | 0 | 0 | 0 | 109.2 | D54 | D54-I56 PolarHBondContact O-N 3.04Š| ||
| 57 | T | 48.4 | Very low | 45.6 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -172.9 | 87.3 | 147.1 | 46.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 58 | K | 46.9 | Very low | 46 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -135 | 92.5 | 153.2 | -69.7 | -64.8 | 176 | -174.7 | 0 | 108 | P60 | K58-P60 WeakPolarHBondContact O-CD 3.33Š| ||
| 59 | Q | 43.1 | Very low | 46.6 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -71.1 | 122 | 151.3 | -79.4 | -101 | -73.5 | 0 | 0 | 107 | S61 | Q59-S61 PolarHBondContact O-N 2.87Š| ||
| 60 | P | 44.4 | Very low | 46.9 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -82.1 | 111.3 | 164.1 | 29.1 | -26.9 | 0 | 0 | 0 | 109 | K58 S62 | K58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-S62 PolarHBondContact O-N 2.76Å | ||
| 61 | S | 40.9 | Very low | 47.2 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -55.6 | 132.4 | 162.7 | -40 | 0 | 0 | 0 | 0 | 109.4 | Q59 | Q59-S61 PolarHBondContact O-N 2.87Š| ||
| 62 | S | 45.7 | Very low | 47.2 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -25.6 | 131.4 | 176 | 54.9 | 0 | 0 | 0 | 0 | 117.4 | P60 | P60-S62 PolarHBondContact O-N 2.76Š| ||
| 63 | I | 41 | Very low | 47.6 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -170.8 | 128.7 | 138 | -94.2 | 147.9 | 0 | 0 | 0 | 111.3 | ||||
| 64 | S | 40.6 | Very low | 47.9 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | 45.6 | 123.5 | 161.5 | 67.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 65 | Y | 45.4 | Very low | 49 | Very low | 216 Ų | 216 | 139.8 Ų | 139.8 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -65.6 | 128 | 167.8 | 53.7 | -88 | 0 | 0 | 0 | 111.3 | ||||
| 66 | N | 42.7 | Very low | 49.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -126.2 | 104.2 | 151.2 | -84.8 | -56.8 | 0 | 0 | 0 | 105.9 | S68 | N66-S68 PolarHBondContact O-N 3.38Š| ||
| 67 | F | 49.2 | Very low | 50.4 | Low | 188 Ų | 188 | 137.2 Ų | 137.2 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -75.4 | 82.7 | 171.9 | -176.5 | -100.2 | 0 | 0 | 0 | 107.7 | S69 | F67-S69 PolarHBondContact O-N 2.65Š| ||
| 68 | S | 48.6 | Very low | 51.5 | Low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -80.5 | 99.3 | 159.1 | -166.7 | 0 | 0 | 0 | 0 | 106.1 | N66 S70 | N66-S68 PolarHBondContact O-N 3.38Å; S68-S70 PolarHBondContact O-N 2.84Å | ||
| 69 | S | 52.8 | Low | 52.4 | Low | 63 Ų | 63 | 135.9 Ų | 135.9 | 44% | 0.441 | 73% | 0.726 | S | S | . | * | trans | -56.1 | 113.5 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 109.3 | F67 T71 | F67-S69 PolarHBondContact O-N 2.65Å; S69-T71 WeakPolarHBondContact CB-OG1 3.38Å; S69-T71 PolarHBondContact O-N 3.03Å; S69-T71 PolarHBondContact O-OG1 3.22Å; S69-T71 PolarHBondContact OG-OG1 3.07Å; S69-T71 VanDerWaalsContact OG-OG1 3.04Å | ||
| 70 | S | 53.9 | Low | 53.2 | Low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | trans | -73.3 | 78.1 | 165.9 | -86.8 | 0 | 0 | 0 | 0 | 109 | S68 S72 | S68-S70 PolarHBondContact O-N 2.84Å; S70-S72 VanDerWaalsContact C-N 3.31Å | ||
| 71 | T | 52.7 | Low | 54 | Low | 84 Ų | 84 | 134.5 Ų | 134.5 | 52% | 0.515 | 72% | 0.719 | S | S | . | * | trans | -89.4 | -0 | 173.3 | -22.2 | 0 | 0 | 0 | 0 | 111.8 | S69 W73 Y74 | S69-T71 WeakPolarHBondContact CB-OG1 3.38Å; S69-T71 PolarHBondContact O-N 3.03Å; S69-T71 PolarHBondContact O-OG1 3.22Å; S69-T71 PolarHBondContact OG-OG1 3.07Å; S69-T71 VanDerWaalsContact OG-OG1 3.04Å; T71-W73 VanDerWaalsContact C-N 3.28Å; T71-W73 PolarHBondContact O-N 3.44Å; T71-Y74 PolarHBondContact O-N 2.81Å | ||
| 72 | S | 56 | Low | 55 | Low | 62 Ų | 62 | 136.3 Ų | 136.3 | 43% | 0.434 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -69.5 | -20.4 | -168.9 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | S70 N76 | S70-S72 VanDerWaalsContact C-N 3.31Å; S72-N76 PolarHBondContact O-ND2 3.23Å |
| 73 | W | 52.1 | Low | 55.5 | Low | 223 Ų | 223 | 138.2 Ų | 138.2 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -74.8 | -28.1 | -179 | -68.3 | 5.5 | 0 | 0 | 0 | 112.7 | T71 S77 | T71-W73 VanDerWaalsContact C-N 3.28Å; T71-W73 PolarHBondContact O-N 3.44Å; W73-S77 PolarHBondContact O-OG 2.6Å |
| 74 | Y | 56.9 | Low | 56.8 | Low | 197 Ų | 197 | 134 Ų | 134 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81.6 | -36.5 | 177.5 | -170.8 | -103 | 0 | 0 | 0 | 112.2 | T71 N76 S77 | T71-Y74 PolarHBondContact O-N 2.81Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.13Å; Y74-S77 PolarHBondContact O-N 2.94Å |
| 75 | E | 62.2 | Low | 57.9 | Low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -62.9 | -34.3 | -179.5 | -96.9 | -82.6 | 128.3 | 0 | 0 | 113.8 | ||
| 76 | N | 64.2 | Low | 59 | Low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 2.6 | -176.7 | -70.5 | -47.5 | 0 | 0 | 0 | 114.4 | S72 Y74 | S72-N76 PolarHBondContact O-ND2 3.23Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.13Å |
| 77 | S | 71.6 | Confident | 60 | Low | 68 Ų | 68 | 130.9 Ų | 130.9 | 48% | 0.476 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -73.1 | 134.8 | 178.2 | -77.3 | 0 | 0 | 0 | 0 | 110.5 | W73 Y74 K79 | W73-S77 PolarHBondContact O-OG 2.6Å; Y74-S77 PolarHBondContact O-N 2.94Å; S77-K79 PolarHBondContact O-N 2.8Å |
| 78 | P | 69.9 | Low | 60.8 | Low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 117 | 171.3 | -22 | 31.6 | 0 | 0 | 0 | 109.4 | P80 | P78-P80 WeakPolarHBondContact O-CD 3.47Š|
| 79 | K | 65.7 | Low | 61.6 | Low | 183 Ų | 183 | 130.2 Ų | 130.2 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122 | 176.1 | -68.2 | 173.4 | -177 | 168.9 | 0 | 107.4 | S77 Q81 | S77-K79 PolarHBondContact O-N 2.8Å; K79-Q81 PolarHBondContact O-N 2.89Å |
| 80 | P | 59.8 | Low | 62.4 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | trans | -62.3 | 107.8 | 173.3 | 24.1 | -30.3 | 0 | 0 | 0 | 107.8 | P78 I82 | P78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-I82 PolarHBondContact O-N 2.84Å; P80-I82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | Q | 61.2 | Low | 63.1 | Low | 160 Ų | 160 | 130.9 Ų | 130.9 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -72.1 | 98.2 | 166.2 | -78.1 | -176.5 | -42.5 | 0 | 0 | 106.6 | K79 H83 | K79-Q81 PolarHBondContact O-N 2.89Å; Q81-H83 VanDerWaalsContact C-N 3.31Å; Q81-H83 PolarHBondContact O-CD2 3Å; Q81-H83 PolarHBondContact O-N 3.19Å | ||
| 82 | I | 62.7 | Low | 64 | Low | 152 Ų | 152 | 133 Ų | 133 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -70.3 | 93.9 | 172.3 | -55.3 | -178.1 | 0 | 0 | 0 | 106.6 | P80 A84 | P80-I82 PolarHBondContact O-N 2.84Å; P80-I82 VanDerWaalsContact O-N 3.07Å; I82-A84 PolarHBondContact O-N 3.48Å | ||
| 83 | H | 57 | Low | 64.7 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | trans | -79 | 94.8 | 166.9 | -72 | -76.9 | 0 | 0 | 0 | 107.6 | Q81 | Q81-H83 VanDerWaalsContact C-N 3.31Å; Q81-H83 PolarHBondContact O-CD2 3Å; Q81-H83 PolarHBondContact O-N 3.19Å | ||
| 84 | A | 67 | Low | 65.8 | Low | 73 Ų | 73 | 125.8 Ų | 125.8 | 60% | 0.603 | 71% | 0.714 | S | S | * | * | trans | -84.2 | 113.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | I82 V86 | I82-A84 PolarHBondContact O-N 3.48Å; A84-V86 PolarHBondContact O-N 2.95Å | ||
| 85 | D | 65.3 | Low | 66.4 | Low | 159 Ų | 159 | 127 Ų | 127 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -72.2 | 8.7 | 178.6 | -72.5 | -32.5 | 0 | 0 | 0 | 113.9 | ||
| 86 | V | 68.3 | Low | 66.4 | Low | 100 Ų | 100 | 128.2 Ų | 128.2 | 61% | 0.606 | 72% | 0.722 | S | S | * | * | trans | -123.7 | 116 | -177.6 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | A84 L88 | A84-V86 PolarHBondContact O-N 2.95Å; V86-L88 WeakPolarHBondContact CG1-O 3.34Å; V86-L88 PolarHBondContact O-N 3.07Å | ||
| 87 | P | 63.5 | Low | 66.1 | Low | 134 Ų | 134 | 124.1 Ų | 124.1 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -70 | 1.1 | -179.8 | 25.6 | -31.8 | 0 | 0 | 0 | 114.1 | ||
| 88 | L | 66 | Low | 65.5 | Low | 139 Ų | 139 | 129.5 Ų | 129.5 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -125.6 | 122.2 | 176.2 | -72.9 | 168.8 | 0 | 0 | 0 | 109.3 | V86 A90 | V86-L88 WeakPolarHBondContact CG1-O 3.34Å; V86-L88 PolarHBondContact O-N 3.07Å; L88-A90 PolarHBondContact O-N 3.03Å |
| 89 | L | 65.8 | Low | 64.7 | Low | 148 Ų | 148 | 129.8 Ų | 129.8 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -63.7 | 129.8 | 168.8 | -68.3 | 168.4 | 0 | 0 | 0 | 108.5 | S91 | L89-S91 WeakPolarHBondContact CB-O 3.4Å; L89-S91 PolarHBondContact O-N 3.17Å; L89-S91 VanDerWaalsContact O-N 3.1Å | ||
| 90 | A | 67.8 | Low | 64.2 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 98% | 0.983 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -60.2 | -19.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L88 | L88-A90 PolarHBondContact O-N 3.03Š|
| 91 | S | 69.9 | Low | 64 | Low | 70 Ų | 70 | 133.7 Ų | 133.7 | 49% | 0.49 | 73% | 0.73 | S | S | . | * | trans | -153.6 | 143.5 | 171.2 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | L89 A93 | L89-S91 WeakPolarHBondContact CB-O 3.4Å; L89-S91 PolarHBondContact O-N 3.17Å; L89-S91 VanDerWaalsContact O-N 3.1Å; S91-A93 WeakPolarHBondContact CB-O 3.48Å; S91-A93 PolarHBondContact OG-N 3.02Å; S91-A93 VanDerWaalsContact OG-N 3.1Å; S91-A93 PolarHBondContact OG-O 3.49Å | ||
| 92 | S | 71.6 | Confident | 63.6 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -78 | -9.4 | 171.5 | 56 | 0 | 0 | 0 | 0 | 113.2 | ||
| 93 | A | 69.4 | Low | 63.3 | Low | 38 Ų | 38 | 128.4 Ų | 128.4 | 31% | 0.314 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -123.7 | 144.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S91 S97 | S91-A93 WeakPolarHBondContact CB-O 3.48Å; S91-A93 PolarHBondContact OG-N 3.02Å; S91-A93 VanDerWaalsContact OG-N 3.1Å; S91-A93 PolarHBondContact OG-O 3.49Å; A93-S97 WeakPolarHBondContact CB-OG 3.22Å |
| 94 | P | 77 | Confident | 63.3 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | trans | -54.6 | 151.1 | 173.1 | -19.8 | 31.3 | 0 | 0 | 0 | 110.9 | F96 S97 | P94-F96 PolarHBondContact O-N 2.8Å; P94-S97 PolarHBondContact O-N 3.31Å; P94-S97 PolarHBondContact O-OG 2.89Å; P94-S97 VanDerWaalsContact O-OG 3.13Å | ||
| 95 | Y | 68.9 | Low | 62.9 | Low | 221 Ų | 221 | 130.8 Ų | 130.8 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -59 | -19.4 | 174.3 | -172 | -97.8 | 0 | 0 | 0 | 112.9 | ||
| 96 | F | 62.9 | Low | 62.8 | Low | 182 Ų | 182 | 129.3 Ų | 129.3 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -111.3 | 71.5 | 169.8 | -68.3 | -86.9 | 0 | 0 | 0 | 109.6 | P94 | P94-F96 PolarHBondContact O-N 2.8Š|
| 97 | S | 57.3 | Low | 63.2 | Low | 50 Ų | 50 | 126.4 Ų | 126.4 | 35% | 0.35 | 71% | 0.713 | S | S | . | * | trans | -73.1 | 127.9 | 163.7 | -62.2 | 0 | 0 | 0 | 0 | 108.2 | A93 P94 D99 | A93-S97 WeakPolarHBondContact CB-OG 3.22Å; P94-S97 PolarHBondContact O-N 3.31Å; P94-S97 PolarHBondContact O-OG 2.89Å; P94-S97 VanDerWaalsContact O-OG 3.13Å; S97-D99 PolarHBondContact O-N 3.01Å | ||
| 98 | M | 58.5 | Low | 64.4 | Low | 182 Ų | 182 | 123.9 Ų | 123.9 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | trans | -77.2 | 75.9 | 160.8 | -60.6 | -131.2 | 91.1 | 0 | 0 | 106.1 | E100 | M98-E100 PolarHBondContact O-N 3.38Å; M98-E100 VanDerWaalsContact O-N 3.09Å | ||
| 99 | D | 54.2 | Low | 65.6 | Low | 128 Ų | 128 | 123.7 Ų | 123.7 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -60.2 | 118.7 | 167.2 | -72.5 | -60.1 | 0 | 0 | 0 | 106 | S97 E101 | S97-D99 PolarHBondContact O-N 3.01Å; D99-E101 PolarHBondContact O-N 3.33Å | ||
| 100 | E | 54.8 | Low | 66.9 | Low | 202 Ų | 202 | 122.1 Ų | 122.1 | 94% | 0.944 | 68% | 0.682 | S | S | * | * | trans | -71.4 | 52.9 | 175.4 | -53.7 | -165.9 | 118.7 | 0 | 0 | 109 | M98 D102 | M98-E100 PolarHBondContact O-N 3.38Å; M98-E100 VanDerWaalsContact O-N 3.09Å; E100-D102 PolarHBondContact O-N 2.85Å | ||
| 101 | E | 55.8 | Low | 68.2 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | trans | -81 | 95.6 | 172.9 | -166.6 | 175.9 | 142.8 | 0 | 0 | 107.5 | D99 G103 | D99-E101 PolarHBondContact O-N 3.33Å; E101-G103 PolarHBondContact O-N 3.02Å | ||
| 102 | D | 52.1 | Low | 69.5 | Low | 153 Ų | 153 | 119.7 Ų | 119.7 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -10.2 | 101.8 | 165.3 | -171.6 | 11.5 | 0 | 0 | 0 | 115.1 | E100 S104 | E100-D102 PolarHBondContact O-N 2.85Å; D102-S104 PolarHBondContact O-N 3.18Å | ||
| 103 | G | 55.5 | Low | 70.6 | Confident | 49 Ų | 49 | 114.1 Ų | 114.1 | 51% | 0.505 | 61% | 0.61 | S | S | . | * | 60.4 | 52.3 | 127.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | E101 | E101-G103 PolarHBondContact O-N 3.02Š| |||
| 104 | S | 56.8 | Low | 71.9 | Confident | 107 Ų | 107 | 117.6 Ų | 117.6 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | trans | -94.9 | 63.7 | 137.9 | 67.3 | 0 | 0 | 0 | 0 | 108.9 | D102 D106 G107 | D102-S104 PolarHBondContact O-N 3.18Å; S104-D106 PolarHBondContact O-N 3.4Å; S104-G107 PolarHBondContact O-N 3.44Å | ||
| 105 | E | 58.8 | Low | 72.6 | Confident | 163 Ų | 163 | 114.7 Ų | 114.7 | 76% | 0.762 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 19.4 | 168.6 | 63.7 | -158.8 | 116.4 | 0 | 0 | 113.2 | R139 | E105-R139 PolarHBondContact O-NH1 3.4Å; E105-R139 PolarHBondContact O-NH2 2.74Å |
| 106 | D | 64.8 | Low | 73.5 | Confident | 128 Ų | 128 | 106.9 Ų | 106.9 | 68% | 0.684 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -2.8 | 171.7 | -147.7 | 37.5 | 0 | 0 | 0 | 115.5 | S104 R139 | S104-D106 PolarHBondContact O-N 3.4Å; D106-R139 VanDerWaalsContact O-CZ 3.3Å; D106-R139 PolarHBondContact O-NE 3.43Å; D106-R139 PolarHBondContact O-NH2 3.28Å; D106-R139 IonicContact OD1-CZ 2.85Å; D106-R139 IonicContact OD1-NE 2.6Å; D106-R139 IonicContact OD1-NH1 3.55Å; D106-R139 PolarHBondContact OD1-NH1 2.97Å |
| 107 | G | 76.8 | Confident | 74.6 | Confident | 38 Ų | 38 | 102.9 Ų | 102.9 | 39% | 0.392 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 147.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | S104 R139 | S104-G107 PolarHBondContact O-N 3.44Å; G107-R139 PolarHBondContact O-NE 3.23Å; G107-R139 PolarHBondContact O-NH2 2.94Å |
| 108 | V | 88.3 | Confident | 76 | Confident | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -90.3 | 125.4 | 169.5 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | R139 D141 | V108-R139 CarbonylContact C-O 3.42Å; V108-R139 WeakPolarHBondContact CA-O 3.41Å; V108-R139 HydrophobicContact CG2-CB 4.31Å; V108-D141 HydrophobicContact CG1-CB 3.9Å; V108-D141 WeakPolarHBondContact CG1-OD2 3.35Å |
| 109 | H | 90.9 | Very high | 77.6 | Confident | 134 Ų | 134 | 98.9 Ų | 98.9 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 133 | 174.3 | -63.7 | -90.7 | 0 | 0 | 0 | 110.1 | R139 V140 D141 | H109-R139 PolarHBondContact N-O 3.39Å; H109-V140 HydrophobicContact CB-CG1 4.46Å; H109-V140 HydrophobicContact CB-CG2 4.31Å; H109-V140 CarbonylContact O-C 3.37Å; H109-V140 VanDerWaalsContact O-CA 3.22Å; H109-V140 WeakPolarHBondContact O-CA 3.28Å; H109-V140 WeakPolarHBondContact O-CG1 3.39Å; H109-D141 PolarHBondContact O-N 3.07Å |
| 110 | L | 93.4 | Very high | 79.4 | Confident | 116 Ų | 116 | 95.3 Ų | 95.3 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126 | 176 | 178.2 | 63.9 | 0 | 0 | 0 | 110.7 | V112 D141 L143 | L110-V112 HydrophobicContact CD2-CG2 4.32Å; L110-V112 HydrophobicContact CG-CG2 4.24Å; L110-D141 HydrophobicContact CD1-CB 4.19Å; L110-L143 HydrophobicContact CD1-CB 4.26Å |
| 111 | I | 95.1 | Very high | 81.3 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 26% | 0.262 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.1 | 171.7 | -60.4 | -178.1 | 0 | 0 | 0 | 109.2 | I131 V140 D141 F142 L143 | I111-I131 HydrophobicContact CD1-CD1 4.08Å; I111-I131 HydrophobicContact CD1-CG2 3.94Å; I111-V140 HydrophobicContact CB-CG1 4.41Å; I111-V140 HydrophobicContact CD1-CG1 3.48Å; I111-V140 VanDerWaalsContact CD1-CG1 3.48Å; I111-V140 HydrophobicContact CG1-CG1 3.61Å; I111-D141 PolarHBondContact N-O 3.17Å; I111-F142 HydrophobicContact CB-CD1 3.81Å; I111-F142 HydrophobicContact CB-CE1 3.87Å; I111-F142 HydrophobicContact CD1-CE1 3.85Å; I111-F142 HydrophobicContact CD1-CZ 4.07Å; I111-F142 HydrophobicContact CG1-CE1 4.39Å; I111-F142 HydrophobicContact CG2-CD1 3.98Å; I111-F142 HydrophobicContact CG2-CE1 3.92Å; I111-F142 WeakPolarHBondContact O-CA 3.46Å; I111-L143 PolarHBondContact O-N 2.77Å |
| 112 | V | 96.4 | Very high | 83.2 | Confident | 87 Ų | 87 | 82 Ų | 82 | 53% | 0.527 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.1 | 176 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | L110 V114 L143 | L110-V112 HydrophobicContact CD2-CG2 4.32Å; L110-V112 HydrophobicContact CG-CG2 4.24Å; V112-V114 HydrophobicContact CG1-CG2 4.32Å; V112-L143 CarbonylContact C-O 3.59Å; V112-L143 WeakPolarHBondContact CA-O 3.4Å; V112-L143 HydrophobicContact CG1-CD2 4.35Å; V112-L143 HydrophobicContact CG2-CB 4.33Å; V112-L143 HydrophobicContact CG2-CD2 4.44Å |
| 113 | C | 95.7 | Very high | 85.2 | Confident | 12 Ų | 12 | 79.2 Ų | 79.2 | 8% | 0.081 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.9 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | L124 L143 M144 S145 | C113-L124 HydrophobicContact CB-CB 4.4Å; C113-L124 HydrophobicContact CB-CD1 3.83Å; C113-L124 HydrophobicContact CB-CD2 4.33Å; C113-L124 HydrophobicContact CB-CG 4.42Å; C113-L124 WeakPolarHBondContact O-CD1 3.41Å; C113-L143 PolarHBondContact N-O 2.96Å; C113-M144 HydrophobicContact CB-CE 3.78Å; C113-M144 HydrophobicContact CB-SD 3.49Å; C113-M144 WeakPolarHBondContact CB-SD 3.49Å; C113-M144 WeakPolarHBondContact SG-CE 3.45Å; C113-S145 PolarHBondContact O-N 3.37Å; C113-S145 PolarHBondContact O-OG 2.87Å |
| 114 | V | 94.9 | Very high | 87.2 | Confident | 110 Ų | 110 | 77.9 Ų | 77.9 | 67% | 0.667 | 46% | 0.458 | S | S | * | . | trans | -115.7 | 133.1 | 179.4 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | V112 S145 | V112-V114 HydrophobicContact CG1-CG2 4.32Å; V114-S145 WeakPolarHBondContact CA-OG 3.44Å | ||
| 115 | H | 92.8 | Very high | 89 | Confident | 36 Ų | 36 | 81 Ų | 81 | 17% | 0.167 | 45% | 0.454 | C | S | . | . | trans | -80.9 | 155.8 | 177.4 | 69.3 | 68 | 0 | 0 | 0 | 111.4 | G119 L124 S145 E146 R147 | H115-G119 PolarHBondContact CE1-O 3.39Å; H115-G119 VanDerWaalsContact CG-C 3.4Å; H115-G119 PolarHBondContact ND1-O 3.49Å; H115-G119 VanDerWaalsContact ND1-O 3.15Å; H115-G119 PolarHBondContact NE2-O 3.45Å; H115-L124 HydrophobicContact CB-CD1 4.22Å; H115-L124 HydrophobicContact CB-CG 4.39Å; H115-S145 PolarHBondContact CD2-OG 3.34Å; H115-S145 PolarHBondContact N-OG 3.04Å; H115-E146 PolarHBondContact CD2-O 3.07Å; H115-E146 VanDerWaalsContact CD2-O 3.29Å; H115-R147 WeakPolarHBondContact NE2-CA 3.37Å | ||
| 116 | G | 88.8 | Confident | 90.7 | Very high | 56 Ų | 56 | 78.8 Ų | 78.8 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | trans | -78.8 | -170.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D118 G119 | G116-D118 PolarHBondContact O-N 3.43Å; G116-G119 PolarHBondContact O-N 3.35Å; G116-G119 VanDerWaalsContact O-N 3.07Å | ||
| 117 | L | 85.8 | Confident | 92.2 | Very high | 99 Ų | 99 | 76 Ų | 76 | 52% | 0.518 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136.8 | 173.8 | -177.7 | 76 | 0 | 0 | 0 | 111.3 | G119 F153 | L117-G119 PolarHBondContact O-N 3.12Å; L117-F153 HydrophobicContact CD1-CD2 3.93Å; L117-F153 HydrophobicContact CD1-CE1 4.49Å; L117-F153 HydrophobicContact CD1-CE2 3.27Å; L117-F153 HydrophobicContact CD1-CZ 3.65Å; L117-F153 HydrophobicContact CD2-CE1 4.23Å; L117-F153 HydrophobicContact CD2-CE2 3.49Å; L117-F153 VanDerWaalsContact CD2-CE2 3.49Å; L117-F153 HydrophobicContact CD2-CZ 3.16Å; L117-F153 HydrophobicContact CG-CE2 3.9Å; L117-F153 HydrophobicContact CG-CZ 3.99Å |
| 118 | D | 86.4 | Confident | 93.1 | Very high | 137 Ų | 137 | 77.6 Ų | 77.6 | 73% | 0.733 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 3 | -175.5 | -64.8 | -36.2 | 0 | 0 | 0 | 115.7 | G116 | G116-D118 PolarHBondContact O-N 3.43Š|
| 119 | G | 90.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 76.7 Ų | 76.7 | 11% | 0.113 | 43% | 0.425 | C | S | . | . | trans | -75.2 | 167.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H115 G116 L117 D123 | H115-G119 PolarHBondContact CE1-O 3.39Å; H115-G119 VanDerWaalsContact CG-C 3.4Å; H115-G119 PolarHBondContact ND1-O 3.49Å; H115-G119 VanDerWaalsContact ND1-O 3.15Å; H115-G119 PolarHBondContact NE2-O 3.45Å; G116-G119 PolarHBondContact O-N 3.35Å; G116-G119 VanDerWaalsContact O-N 3.07Å; L117-G119 PolarHBondContact O-N 3.12Å; G119-D123 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 120 | N | 92.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 78.4 Ų | 78.4 | 28% | 0.283 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -150.8 | 179.2 | 172.5 | 64.6 | 82 | 0 | 0 | 0 | 111.7 | A122 D123 E146 R147 | N120-A122 PolarHBondContact O-N 3.02Å; N120-A122 VanDerWaalsContact O-N 3.12Å; N120-A122 WeakPolarHBondContact OD1-CA 3.37Å; N120-A122 WeakPolarHBondContact OD1-CB 3.47Å; N120-A122 PolarHBondContact OD1-N 2.92Å; N120-D123 PolarHBondContact N-OD2 3.05Å; N120-D123 PolarHBondContact ND2-OD2 3.45Å; N120-D123 VanDerWaalsContact ND2-OD2 3.17Å; N120-D123 WeakPolarHBondContact O-CB 3.46Å; N120-D123 PolarHBondContact O-N 3.15Å; N120-D123 VanDerWaalsContact O-N 3.1Å; N120-E146 CarbonylContact C-O 3.57Å; N120-E146 WeakPolarHBondContact CA-O 3Å; N120-E146 WeakPolarHBondContact CB-O 3.38Å; N120-R147 HydrophobicContact CB-CB 4.35Å |
| 121 | S | 95.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 75.1 Ų | 75.1 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57 | -26.1 | 178.8 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | D123 L124 R125 S145 E146 | S121-D123 VanDerWaalsContact C-N 3.34Å; S121-L124 PolarHBondContact O-N 3.03Å; S121-R125 WeakPolarHBondContact O-CG 3.49Å; S121-R125 PolarHBondContact O-N 2.92Å; S121-S145 WeakPolarHBondContact CA-O 3.41Å; S121-S145 VanDerWaalsContact CB-O 3.28Å; S121-S145 WeakPolarHBondContact CB-O 3.36Å; S121-S145 PolarHBondContact N-O 3.24Å; S121-E146 PolarHBondContact N-O 3.34Å |
| 122 | A | 95.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 76.8 Ų | 76.8 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N120 L124 R125 | N120-A122 PolarHBondContact O-N 3.02Å; N120-A122 VanDerWaalsContact O-N 3.12Å; N120-A122 WeakPolarHBondContact OD1-CA 3.37Å; N120-A122 WeakPolarHBondContact OD1-CB 3.47Å; N120-A122 PolarHBondContact OD1-N 2.92Å; A122-L124 PolarHBondContact O-N 3.49Å; A122-R125 WeakPolarHBondContact O-CB 3.48Å; A122-R125 WeakPolarHBondContact O-CG 3.4Å; A122-R125 PolarHBondContact O-N 2.79Å |
| 123 | D | 94.9 | Very high | 93.8 | Very high | 94 Ų | 94 | 78.8 Ų | 78.8 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.8 | -28.9 | 179.1 | -54.3 | -56.4 | 0 | 0 | 0 | 111.3 | G119 N120 S121 | G119-D123 WeakPolarHBondContact CA-OD2 3.37Å; N120-D123 PolarHBondContact N-OD2 3.05Å; N120-D123 PolarHBondContact ND2-OD2 3.45Å; N120-D123 VanDerWaalsContact ND2-OD2 3.17Å; N120-D123 WeakPolarHBondContact O-CB 3.46Å; N120-D123 PolarHBondContact O-N 3.15Å; N120-D123 VanDerWaalsContact O-N 3.1Å; S121-D123 VanDerWaalsContact C-N 3.34Å |
| 124 | L | 95.8 | Very high | 93.7 | Very high | 20 Ų | 20 | 80.9 Ų | 80.9 | 11% | 0.105 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -82.9 | -11.6 | -179.8 | -56.2 | 174.3 | 0 | 0 | 0 | 113.5 | C113 H115 S121 A122 L126 V127 K128 M144 S145 | C113-L124 HydrophobicContact CB-CB 4.4Å; C113-L124 HydrophobicContact CB-CD1 3.83Å; C113-L124 HydrophobicContact CB-CD2 4.33Å; C113-L124 HydrophobicContact CB-CG 4.42Å; C113-L124 WeakPolarHBondContact O-CD1 3.41Å; H115-L124 HydrophobicContact CB-CD1 4.22Å; H115-L124 HydrophobicContact CB-CG 4.39Å; S121-L124 PolarHBondContact O-N 3.03Å; A122-L124 PolarHBondContact O-N 3.49Å; L124-L126 PolarHBondContact O-N 3.21Å; L124-V127 WeakPolarHBondContact O-CB 3.37Å; L124-V127 PolarHBondContact O-N 3.29Å; L124-K128 PolarHBondContact O-N 2.65Å; L124-M144 HydrophobicContact CB-SD 3.48Å; L124-M144 WeakPolarHBondContact CB-SD 3.38Å; L124-M144 HydrophobicContact CD1-CB 4.41Å; L124-M144 HydrophobicContact CD1-SD 4.09Å; L124-M144 HydrophobicContact CG-SD 4.44Å; L124-S145 WeakPolarHBondContact CD1-OG 3.2Å |
| 125 | R | 94.8 | Very high | 93.5 | Very high | 174 Ų | 174 | 80.3 Ų | 80.3 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.3 | -33.8 | -176.5 | -67 | 174.1 | 85 | 136.4 | 5 | 112.6 | S121 A122 T129 | S121-R125 WeakPolarHBondContact O-CG 3.49Å; S121-R125 PolarHBondContact O-N 2.92Å; A122-R125 WeakPolarHBondContact O-CB 3.48Å; A122-R125 WeakPolarHBondContact O-CG 3.4Å; A122-R125 PolarHBondContact O-N 2.79Å; R125-T129 WeakPolarHBondContact O-CB 3.24Å; R125-T129 PolarHBondContact O-N 3.44Å; R125-T129 PolarHBondContact O-OG1 3.32Å |
| 126 | L | 96.2 | Very high | 93.3 | Very high | 116 Ų | 116 | 84 Ų | 84 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 177 | -71 | 176.4 | 0 | 0 | 0 | 111.1 | L124 K128 T129 Y130 | L124-L126 PolarHBondContact O-N 3.21Å; L126-K128 PolarHBondContact O-N 2.68Å; L126-T129 PolarHBondContact O-N 3.24Å; L126-Y130 HydrophobicContact CB-CD2 4.42Å; L126-Y130 WeakPolarHBondContact O-CD2 3.38Å; L126-Y130 PolarHBondContact O-N 3.12Å |
| 127 | V | 96.2 | Very high | 93.1 | Very high | 70 Ų | 70 | 85.2 Ų | 85.2 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 178 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | L124 T129 Y130 I131 | L124-V127 WeakPolarHBondContact O-CB 3.37Å; L124-V127 PolarHBondContact O-N 3.29Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 3.04Å; V127-Y130 PolarHBondContact O-N 3.42Å; V127-I131 HydrophobicContact CG1-CD1 3.8Å; V127-I131 WeakPolarHBondContact O-CG1 3.45Å; V127-I131 PolarHBondContact O-N 3.31Å; V127-I131 VanDerWaalsContact O-N 3.12Å |
| 128 | K | 95.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 82.6 Ų | 82.6 | 30% | 0.304 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -53.3 | -52.1 | 174.7 | -174.1 | 176.3 | 179.4 | -75.9 | 0 | 111.5 | L124 L126 Y130 I131 E132 F142 M144 | L124-K128 PolarHBondContact O-N 2.65Å; L126-K128 PolarHBondContact O-N 2.68Å; K128-Y130 PolarHBondContact O-N 3.47Å; K128-I131 PolarHBondContact O-N 3.21Å; K128-E132 WeakPolarHBondContact CE-OE1 3.34Å; K128-E132 HydrophobicContact CG-CG 4.48Å; K128-E132 IonicContact NZ-OE1 2.8Å; K128-E132 PolarHBondContact NZ-OE1 3.34Å; K128-E132 IonicContact NZ-OE2 3.33Å; K128-E132 PolarHBondContact NZ-OE2 3.1Å; K128-E132 WeakPolarHBondContact O-CG 3.41Å; K128-E132 PolarHBondContact O-N 3.15Å; K128-F142 HydrophobicContact CB-CD1 4.36Å; K128-F142 HydrophobicContact CB-CE1 4.33Å; K128-F142 HydrophobicContact CD-CB 4.24Å; K128-F142 HydrophobicContact CD-CD2 4.12Å; K128-F142 HydrophobicContact CD-CG 4.1Å; K128-F142 HydrophobicContact CG-CB 4.49Å; K128-F142 HydrophobicContact CG-CD1 4.05Å; K128-F142 HydrophobicContact CG-CD2 3.76Å; K128-F142 HydrophobicContact CG-CE1 4.13Å; K128-F142 HydrophobicContact CG-CE2 3.86Å; K128-F142 HydrophobicContact CG-CG 3.84Å; K128-F142 HydrophobicContact CG-CZ 4.03Å; K128-M144 HydrophobicContact CB-CE 3.69Å; K128-M144 HydrophobicContact CD-CE 4.22Å; K128-M144 HydrophobicContact CG-CE 4.15Å |
| 129 | T | 96 | Very high | 93.3 | Very high | 64 Ų | 64 | 80.4 Ų | 80.4 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | -176.6 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | R125 L126 V127 I131 E132 L133 | R125-T129 WeakPolarHBondContact O-CB 3.24Å; R125-T129 PolarHBondContact O-N 3.44Å; R125-T129 PolarHBondContact O-OG1 3.32Å; L126-T129 PolarHBondContact O-N 3.24Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 3.04Å; T129-I131 VanDerWaalsContact C-N 3.33Å; T129-I131 PolarHBondContact O-N 3.19Å; T129-E132 PolarHBondContact O-N 3.35Å; T129-L133 HydrophobicContact CG2-CD1 3.92Å; T129-L133 HydrophobicContact CG2-CG 4.34Å; T129-L133 WeakPolarHBondContact O-CB 3.03Å; T129-L133 VanDerWaalsContact O-CG 3.24Å; T129-L133 WeakPolarHBondContact O-CG 3.34Å; T129-L133 PolarHBondContact O-N 2.79Å |
| 130 | Y | 97.6 | Very high | 93.4 | Very high | 169 Ų | 169 | 81.3 Ų | 81.3 | 66% | 0.663 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -38.6 | -179.8 | -88.1 | -72.9 | 0 | 0 | 0 | 112.4 | L126 V127 K128 G134 | L126-Y130 HydrophobicContact CB-CD2 4.42Å; L126-Y130 WeakPolarHBondContact O-CD2 3.38Å; L126-Y130 PolarHBondContact O-N 3.12Å; V127-Y130 PolarHBondContact O-N 3.42Å; K128-Y130 PolarHBondContact O-N 3.47Å; Y130-G134 PolarHBondContact O-N 3.45Å |
| 131 | I | 95.5 | Very high | 93.5 | Very high | 48 Ų | 48 | 83.5 Ų | 83.5 | 25% | 0.246 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.2 | -44.8 | 177.6 | -65 | 166.5 | 0 | 0 | 0 | 110.4 | I111 V127 K128 T129 L133 G134 L135 F142 | I111-I131 HydrophobicContact CD1-CD1 4.08Å; I111-I131 HydrophobicContact CD1-CG2 3.94Å; V127-I131 HydrophobicContact CG1-CD1 3.8Å; V127-I131 WeakPolarHBondContact O-CG1 3.45Å; V127-I131 PolarHBondContact O-N 3.31Å; V127-I131 VanDerWaalsContact O-N 3.12Å; K128-I131 PolarHBondContact O-N 3.21Å; T129-I131 VanDerWaalsContact C-N 3.33Å; T129-I131 PolarHBondContact O-N 3.19Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 3.11Å; I131-G134 PolarHBondContact O-N 2.87Å; I131-G134 VanDerWaalsContact O-N 3.15Å; I131-L135 HydrophobicContact CG2-CD1 4.14Å; I131-L135 PolarHBondContact O-N 2.88Å; I131-F142 HydrophobicContact CB-CE1 4.39Å; I131-F142 HydrophobicContact CB-CZ 3.92Å; I131-F142 HydrophobicContact CD1-CE1 4Å; I131-F142 HydrophobicContact CD1-CZ 4.38Å; I131-F142 HydrophobicContact CG2-CE1 4.43Å; I131-F142 HydrophobicContact CG2-CZ 3.79Å |
| 132 | E | 94.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 82.9 Ų | 82.9 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.3 | -72.2 | 179.4 | 143.5 | 0 | 0 | 112.5 | K128 T129 L135 F142 | K128-E132 WeakPolarHBondContact CE-OE1 3.34Å; K128-E132 HydrophobicContact CG-CG 4.48Å; K128-E132 IonicContact NZ-OE1 2.8Å; K128-E132 PolarHBondContact NZ-OE1 3.34Å; K128-E132 IonicContact NZ-OE2 3.33Å; K128-E132 PolarHBondContact NZ-OE2 3.1Å; K128-E132 WeakPolarHBondContact O-CG 3.41Å; K128-E132 PolarHBondContact O-N 3.15Å; T129-E132 PolarHBondContact O-N 3.35Å; E132-L135 CarbonylContact O-C 3.49Å; E132-L135 PolarHBondContact O-N 2.72Å; E132-F142 HydrophobicContact CG-CE2 3.85Å; E132-F142 HydrophobicContact CG-CZ 4.33Å |
| 133 | L | 95 | Very high | 93.6 | Very high | 129 Ų | 129 | 85.3 Ų | 85.3 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.4 | -33.2 | 175 | -71.5 | 174.4 | 0 | 0 | 0 | 112.7 | T129 I131 L135 | T129-L133 HydrophobicContact CG2-CD1 3.92Å; T129-L133 HydrophobicContact CG2-CG 4.34Å; T129-L133 WeakPolarHBondContact O-CB 3.03Å; T129-L133 VanDerWaalsContact O-CG 3.24Å; T129-L133 WeakPolarHBondContact O-CG 3.34Å; T129-L133 PolarHBondContact O-N 2.79Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 3.11Å; L133-L135 VanDerWaalsContact C-N 3.33Å |
| 134 | G | 94.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 82.8 Ų | 82.8 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -76.3 | -20.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y130 I131 P136 | Y130-G134 PolarHBondContact O-N 3.45Å; I131-G134 PolarHBondContact O-N 2.87Å; I131-G134 VanDerWaalsContact O-N 3.15Å; G134-P136 VanDerWaalsContact C-CD 3.48Å |
| 135 | L | 90.5 | Very high | 93.5 | Very high | 99 Ų | 99 | 83.2 Ų | 83.2 | 52% | 0.518 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -130.4 | 62.4 | -176.6 | -61.5 | 174.1 | 0 | 0 | 0 | 111.4 | I131 E132 L133 G137 G138 | I131-L135 HydrophobicContact CG2-CD1 4.14Å; I131-L135 PolarHBondContact O-N 2.88Å; E132-L135 CarbonylContact O-C 3.49Å; E132-L135 PolarHBondContact O-N 2.72Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L135-G137 PolarHBondContact O-N 3.29Å; L135-G138 PolarHBondContact O-N 3.38Å |
| 136 | P | 89 | Confident | 93.2 | Very high | 112 Ų | 112 | 81.7 Ų | 81.7 | 73% | 0.727 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 121.8 | 178.2 | 26.9 | -33.7 | 0 | 0 | 0 | 110.3 | G134 G138 | G134-P136 VanDerWaalsContact C-CD 3.48Å; P136-G138 VanDerWaalsContact C-N 3.31Å |
| 137 | G | 84.3 | Confident | 92.7 | Very high | 82 Ų | 82 | 85 Ų | 85 | 85% | 0.845 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 2.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L135 | L135-G137 PolarHBondContact O-N 3.29Š|
| 138 | G | 86.4 | Confident | 91.9 | Very high | 44 Ų | 44 | 84.7 Ų | 84.7 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | trans | -64.6 | 132.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L135 P136 V140 | L135-G138 PolarHBondContact O-N 3.38Å; P136-G138 VanDerWaalsContact C-N 3.31Å; G138-V140 PolarHBondContact O-N 2.92Å; G138-V140 VanDerWaalsContact O-N 3.13Å | ||
| 139 | R | 90.1 | Very high | 90.9 | Very high | 92 Ų | 92 | 89.5 Ų | 89.5 | 35% | 0.347 | 48% | 0.483 | S | S | . | . | trans | -84.1 | 85.8 | 172.7 | -66.7 | -164.9 | -49.6 | -70.8 | -43.5 | 109.1 | E105 D106 G107 V108 H109 | E105-R139 PolarHBondContact O-NH1 3.4Å; E105-R139 PolarHBondContact O-NH2 2.74Å; D106-R139 VanDerWaalsContact O-CZ 3.3Å; D106-R139 PolarHBondContact O-NE 3.43Å; D106-R139 PolarHBondContact O-NH2 3.28Å; D106-R139 IonicContact OD1-CZ 2.85Å; D106-R139 IonicContact OD1-NE 2.6Å; D106-R139 IonicContact OD1-NH1 3.55Å; D106-R139 PolarHBondContact OD1-NH1 2.97Å; G107-R139 PolarHBondContact O-NE 3.23Å; G107-R139 PolarHBondContact O-NH2 2.94Å; V108-R139 CarbonylContact C-O 3.42Å; V108-R139 WeakPolarHBondContact CA-O 3.41Å; V108-R139 HydrophobicContact CG2-CB 4.31Å; H109-R139 PolarHBondContact N-O 3.39Å | ||
| 140 | V | 92.2 | Very high | 89.7 | Confident | 29 Ų | 29 | 92.5 Ų | 92.5 | 18% | 0.176 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.1 | -178.6 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | H109 I111 G138 F142 | H109-V140 HydrophobicContact CB-CG1 4.46Å; H109-V140 HydrophobicContact CB-CG2 4.31Å; H109-V140 CarbonylContact O-C 3.37Å; H109-V140 VanDerWaalsContact O-CA 3.22Å; H109-V140 WeakPolarHBondContact O-CA 3.28Å; H109-V140 WeakPolarHBondContact O-CG1 3.39Å; I111-V140 HydrophobicContact CB-CG1 4.41Å; I111-V140 HydrophobicContact CD1-CG1 3.48Å; I111-V140 VanDerWaalsContact CD1-CG1 3.48Å; I111-V140 HydrophobicContact CG1-CG1 3.61Å; G138-V140 PolarHBondContact O-N 2.92Å; G138-V140 VanDerWaalsContact O-N 3.13Å; V140-F142 HydrophobicContact CB-CE2 4.41Å; V140-F142 HydrophobicContact CG1-CE2 4Å; V140-F142 HydrophobicContact CG1-CZ 4.14Å |
| 141 | D | 94.4 | Very high | 88.5 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 151.1 | 171.3 | -78.9 | -16.2 | 0 | 0 | 0 | 110.4 | V108 H109 L110 I111 | V108-D141 HydrophobicContact CG1-CB 3.9Å; V108-D141 WeakPolarHBondContact CG1-OD2 3.35Å; H109-D141 PolarHBondContact O-N 3.07Å; L110-D141 HydrophobicContact CD1-CB 4.19Å; I111-D141 PolarHBondContact N-O 3.17Å |
| 142 | F | 95.8 | Very high | 87.1 | Confident | 39 Ų | 39 | 91.8 Ų | 91.8 | 17% | 0.171 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.4 | -178 | -71.9 | -89.9 | 0 | 0 | 0 | 111.3 | I111 K128 I131 E132 V140 M144 | I111-F142 HydrophobicContact CB-CD1 3.81Å; I111-F142 HydrophobicContact CB-CE1 3.87Å; I111-F142 HydrophobicContact CD1-CE1 3.85Å; I111-F142 HydrophobicContact CD1-CZ 4.07Å; I111-F142 HydrophobicContact CG1-CE1 4.39Å; I111-F142 HydrophobicContact CG2-CD1 3.98Å; I111-F142 HydrophobicContact CG2-CE1 3.92Å; I111-F142 WeakPolarHBondContact O-CA 3.46Å; K128-F142 HydrophobicContact CB-CD1 4.36Å; K128-F142 HydrophobicContact CB-CE1 4.33Å; K128-F142 HydrophobicContact CD-CB 4.24Å; K128-F142 HydrophobicContact CD-CD2 4.12Å; K128-F142 HydrophobicContact CD-CG 4.1Å; K128-F142 HydrophobicContact CG-CB 4.49Å; K128-F142 HydrophobicContact CG-CD1 4.05Å; K128-F142 HydrophobicContact CG-CD2 3.76Å; K128-F142 HydrophobicContact CG-CE1 4.13Å; K128-F142 HydrophobicContact CG-CE2 3.86Å; K128-F142 HydrophobicContact CG-CG 3.84Å; K128-F142 HydrophobicContact CG-CZ 4.03Å; I131-F142 HydrophobicContact CB-CE1 4.39Å; I131-F142 HydrophobicContact CB-CZ 3.92Å; I131-F142 HydrophobicContact CD1-CE1 4Å; I131-F142 HydrophobicContact CD1-CZ 4.38Å; I131-F142 HydrophobicContact CG2-CE1 4.43Å; I131-F142 HydrophobicContact CG2-CZ 3.79Å; E132-F142 HydrophobicContact CG-CE2 3.85Å; E132-F142 HydrophobicContact CG-CZ 4.33Å; V140-F142 HydrophobicContact CB-CE2 4.41Å; V140-F142 HydrophobicContact CG1-CE2 4Å; V140-F142 HydrophobicContact CG1-CZ 4.14Å; F142-M144 HydrophobicContact CB-CE 3.61Å; F142-M144 HydrophobicContact CD1-CE 3.27Å; F142-M144 HydrophobicContact CE1-CE 4.17Å; F142-M144 HydrophobicContact CG-CE 3.73Å |
| 143 | L | 96.4 | Very high | 85.7 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 111.6 | 164.7 | -179.7 | 60.8 | 0 | 0 | 0 | 108.7 | L110 I111 V112 C113 | L110-L143 HydrophobicContact CD1-CB 4.26Å; I111-L143 PolarHBondContact O-N 2.77Å; V112-L143 CarbonylContact C-O 3.59Å; V112-L143 WeakPolarHBondContact CA-O 3.4Å; V112-L143 HydrophobicContact CG1-CD2 4.35Å; V112-L143 HydrophobicContact CG2-CB 4.33Å; V112-L143 HydrophobicContact CG2-CD2 4.44Å; C113-L143 PolarHBondContact N-O 2.96Å |
| 144 | M | 96.2 | Very high | 84.2 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 20% | 0.202 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.9 | 179.1 | -59.5 | -79.6 | 148.2 | 0 | 0 | 108.7 | C113 L124 K128 F142 | C113-M144 HydrophobicContact CB-CE 3.78Å; C113-M144 HydrophobicContact CB-SD 3.49Å; C113-M144 WeakPolarHBondContact CB-SD 3.49Å; C113-M144 WeakPolarHBondContact SG-CE 3.45Å; L124-M144 HydrophobicContact CB-SD 3.48Å; L124-M144 WeakPolarHBondContact CB-SD 3.38Å; L124-M144 HydrophobicContact CD1-CB 4.41Å; L124-M144 HydrophobicContact CD1-SD 4.09Å; L124-M144 HydrophobicContact CG-SD 4.44Å; K128-M144 HydrophobicContact CB-CE 3.69Å; K128-M144 HydrophobicContact CD-CE 4.22Å; K128-M144 HydrophobicContact CG-CE 4.15Å; F142-M144 HydrophobicContact CB-CE 3.61Å; F142-M144 HydrophobicContact CD1-CE 3.27Å; F142-M144 HydrophobicContact CE1-CE 4.17Å; F142-M144 HydrophobicContact CG-CE 3.73Å |
| 145 | S | 93.8 | Very high | 82.6 | Confident | 29 Ų | 29 | 93 Ų | 93 | 20% | 0.203 | 51% | 0.505 | C | S | . | . | trans | -59 | 140.4 | 168.8 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | C113 V114 H115 S121 L124 | C113-S145 PolarHBondContact O-N 3.37Å; C113-S145 PolarHBondContact O-OG 2.87Å; V114-S145 WeakPolarHBondContact CA-OG 3.44Å; H115-S145 PolarHBondContact CD2-OG 3.34Å; H115-S145 PolarHBondContact N-OG 3.04Å; S121-S145 WeakPolarHBondContact CA-O 3.41Å; S121-S145 VanDerWaalsContact CB-O 3.28Å; S121-S145 WeakPolarHBondContact CB-O 3.36Å; S121-S145 PolarHBondContact N-O 3.24Å; L124-S145 WeakPolarHBondContact CD1-OG 3.2Å | ||
| 146 | E | 88.6 | Confident | 81.7 | Confident | 142 Ų | 142 | 96.4 Ų | 96.4 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | trans | -78.9 | -98.9 | -178.8 | -64.6 | -168.2 | 157.5 | 0 | 0 | 112.4 | H115 N120 S121 | H115-E146 PolarHBondContact CD2-O 3.07Å; H115-E146 VanDerWaalsContact CD2-O 3.29Å; N120-E146 CarbonylContact C-O 3.57Å; N120-E146 WeakPolarHBondContact CA-O 3Å; N120-E146 WeakPolarHBondContact CB-O 3.38Å; S121-E146 PolarHBondContact N-O 3.34Å | ||
| 147 | R | 83.9 | Confident | 80.7 | Confident | 185 Ų | 185 | 97.5 Ų | 97.5 | 70% | 0.698 | 52% | 0.516 | S | S | * | . | B | Isolated β-bridge | trans | -140.8 | 150.1 | 174 | -174.3 | -177.3 | 178.9 | 154.1 | 4.6 | 106.8 | H115 N120 Q149 | H115-R147 WeakPolarHBondContact NE2-CA 3.37Å; N120-R147 HydrophobicContact CB-CB 4.35Å; R147-Q149 PolarHBondContact O-N 2.98Å |
| 148 | N | 79.9 | Confident | 79.8 | Confident | 64 Ų | 64 | 97.3 Ų | 97.3 | 34% | 0.342 | 50% | 0.5 | S | S | . | . | trans | -63.3 | 122.7 | 169.1 | -157.1 | 49.3 | 0 | 0 | 0 | 110 | N150 T152 | N148-N150 VanDerWaalsContact C-N 3.26Å; N148-N150 PolarHBondContact ND2-O 2.94Å; N148-N150 PolarHBondContact O-N 3.21Å; N148-T152 VanDerWaalsContact CG-OG1 3.29Å; N148-T152 WeakPolarHBondContact ND2-CB 3.32Å; N148-T152 PolarHBondContact ND2-N 3.5Å; N148-T152 PolarHBondContact ND2-OG1 3.36Å | ||
| 149 | Q | 75.3 | Confident | 78.6 | Confident | 170 Ų | 170 | 101.4 Ų | 101.4 | 79% | 0.794 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -78.5 | -13.7 | -178 | -65.4 | -173.5 | 4.2 | 0 | 0 | 112.6 | R147 | R147-Q149 PolarHBondContact O-N 2.98Š|
| 150 | N | 70.2 | Confident | 77.4 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -129 | 179.4 | -172.8 | -66 | 63.3 | 0 | 0 | 0 | 110.7 | N148 T152 | N148-N150 VanDerWaalsContact C-N 3.26Å; N148-N150 PolarHBondContact ND2-O 2.94Å; N148-N150 PolarHBondContact O-N 3.21Å; N150-T152 PolarHBondContact O-N 3.4Å |
| 151 | D | 71.6 | Confident | 75.6 | Confident | 112 Ų | 112 | 111.8 Ų | 111.8 | 60% | 0.599 | 58% | 0.575 | S | S | * | * | trans | -73.1 | 119.2 | 164.3 | -168.4 | -0.9 | 0 | 0 | 0 | 108.9 | F153 | D151-F153 VanDerWaalsContact C-N 3.26Å; D151-F153 WeakPolarHBondContact OD1-CB 3.48Å; D151-F153 PolarHBondContact OD1-N 3.06Å | ||
| 152 | T | 66.4 | Low | 74.7 | Confident | 90 Ų | 90 | 112.4 Ų | 112.4 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -6.7 | 175.7 | -7.8 | 0 | 0 | 0 | 0 | 112.2 | N148 N150 A154 | N148-T152 VanDerWaalsContact CG-OG1 3.29Å; N148-T152 WeakPolarHBondContact ND2-CB 3.32Å; N148-T152 PolarHBondContact ND2-N 3.5Å; N148-T152 PolarHBondContact ND2-OG1 3.36Å; N150-T152 PolarHBondContact O-N 3.4Å; T152-A154 VanDerWaalsContact C-N 3.27Å |
| 153 | F | 65.7 | Low | 73.6 | Confident | 136 Ų | 136 | 116.3 Ų | 116.3 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 11.8 | 177.6 | -74.1 | -77.5 | 0 | 0 | 0 | 114 | L117 D151 D155 | L117-F153 HydrophobicContact CD1-CD2 3.93Å; L117-F153 HydrophobicContact CD1-CE1 4.49Å; L117-F153 HydrophobicContact CD1-CE2 3.27Å; L117-F153 HydrophobicContact CD1-CZ 3.65Å; L117-F153 HydrophobicContact CD2-CE1 4.23Å; L117-F153 HydrophobicContact CD2-CE2 3.49Å; L117-F153 VanDerWaalsContact CD2-CE2 3.49Å; L117-F153 HydrophobicContact CD2-CZ 3.16Å; L117-F153 HydrophobicContact CG-CE2 3.9Å; L117-F153 HydrophobicContact CG-CZ 3.99Å; D151-F153 VanDerWaalsContact C-N 3.26Å; D151-F153 WeakPolarHBondContact OD1-CB 3.48Å; D151-F153 PolarHBondContact OD1-N 3.06Å; F153-D155 PolarHBondContact O-N 3.47Å; F153-D155 VanDerWaalsContact O-N 3.11Å |
| 154 | A | 63 | Low | 72.3 | Confident | 40 Ų | 40 | 117.2 Ų | 117.2 | 33% | 0.331 | 60% | 0.603 | S | S | . | * | trans | -54 | 124.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | T152 C158 | T152-A154 VanDerWaalsContact C-N 3.27Å; A154-C158 HydrophobicContact CB-CB 3.39Å | ||
| 155 | D | 61.6 | Low | 70.9 | Confident | 121 Ų | 121 | 121.6 Ų | 121.6 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | trans | -51.4 | 159.4 | 179.8 | -108 | -32.3 | 0 | 0 | 0 | 109.8 | F153 D157 C158 | F153-D155 PolarHBondContact O-N 3.47Å; F153-D155 VanDerWaalsContact O-N 3.11Å; D155-D157 PolarHBondContact O-N 2.86Å; D155-C158 WeakPolarHBondContact O-CB 3.38Å; D155-C158 PolarHBondContact O-N 3.32Å | ||
| 156 | F | 71.1 | Confident | 69.5 | Low | 170 Ų | 170 | 127.4 Ų | 127.4 | 75% | 0.746 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -48.8 | -30.8 | -177 | -75.4 | -83.4 | 0 | 0 | 0 | 113.7 | C158 M159 | F156-C158 VanDerWaalsContact C-N 3.27Å; F156-C158 PolarHBondContact O-N 3.24Å; F156-M159 HydrophobicContact CB-CE 4.38Å; F156-M159 HydrophobicContact CD1-CE 3.49Å; F156-M159 VanDerWaalsContact CD1-CE 3.49Å; F156-M159 HydrophobicContact CE1-CE 4.02Å; F156-M159 HydrophobicContact CG-CE 4.11Å; F156-M159 PolarHBondContact O-N 3.35Å |
| 157 | D | 68 | Low | 68.2 | Low | 135 Ų | 135 | 126.5 Ų | 126.5 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -65.1 | -22.6 | 177.4 | -62.2 | -33 | 0 | 0 | 0 | 114 | D155 | D155-D157 PolarHBondContact O-N 2.86Š|
| 158 | C | 65.1 | Low | 67.1 | Low | 78 Ų | 78 | 122.3 Ų | 122.3 | 53% | 0.527 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -92.1 | -9.3 | -177.8 | -56.7 | 0 | 0 | 0 | 0 | 114.1 | A154 D155 F156 T160 | A154-C158 HydrophobicContact CB-CB 3.39Å; D155-C158 WeakPolarHBondContact O-CB 3.38Å; D155-C158 PolarHBondContact O-N 3.32Å; F156-C158 VanDerWaalsContact C-N 3.27Å; F156-C158 PolarHBondContact O-N 3.24Å; C158-T160 VanDerWaalsContact C-N 3.34Å |
| 159 | M | 62.2 | Low | 66.1 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 64% | 0.635 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -85.1 | -4.5 | 178.5 | -72.6 | -172.5 | -78.7 | 0 | 0 | 113.5 | F156 | F156-M159 HydrophobicContact CB-CE 4.38Å; F156-M159 HydrophobicContact CD1-CE 3.49Å; F156-M159 VanDerWaalsContact CD1-CE 3.49Å; F156-M159 HydrophobicContact CE1-CE 4.02Å; F156-M159 HydrophobicContact CG-CE 4.11Å; F156-M159 PolarHBondContact O-N 3.35Å |
| 160 | T | 64.5 | Low | 65.3 | Low | 119 Ų | 119 | 123.2 Ų | 123.2 | 73% | 0.73 | 66% | 0.662 | S | S | * | * | trans | -117.1 | 14.4 | -170.3 | 32.7 | 0 | 0 | 0 | 0 | 116 | C158 | C158-T160 VanDerWaalsContact C-N 3.34Š| ||
| 161 | D | 54.5 | Low | 64.9 | Low | 221 Ų | 221 | 122.8 Ų | 122.8 | 100% | 1.182 | 66% | 0.661 | S | S | * | * | trans | -81 | 0 | 170.9 | -83.2 | -18.2 | 0 | 0 | 0 | 113.4 |
Retrieved 161 of 161 residues in 48.8 ms
(Link to these results)