| 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 | 51 | Low | 57.9 | Low | 229 Ų | 229 | 149.6 Ų | 149.6 | 100% | 1.128 | 82% | 0.824 | S | S | * | * | 0 | 91.6 | 0 | -72.5 | 170.3 | 172.2 | 0 | 0 | 107.5 | |||||
| 2 | S | 43.4 | Very low | 58 | Low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -90.3 | 114.1 | 176 | 37 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | Y | 61.3 | Low | 57.8 | Low | 223 Ų | 223 | 153.9 Ų | 153.9 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | -100.1 | 130.1 | 169.5 | -82.3 | -85.6 | 0 | 0 | 0 | 109.3 | ||||
| 4 | L | 60.4 | Low | 57.4 | Low | 158 Ų | 158 | 151.6 Ų | 151.6 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -74.8 | 152.2 | 179.1 | -80.6 | 87.3 | 0 | 0 | 0 | 112.9 | ||||
| 5 | S | 47.7 | Very low | 56.8 | Low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | 27.3 | 129.7 | 149.7 | -70.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 6 | A | 66.4 | Low | 56.9 | Low | 98 Ų | 98 | 152.1 Ų | 152.1 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -128.6 | 104.8 | 133.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | T8 | A6-T8 PolarHBondContact O-N 3.1Š| ||
| 7 | E | 55 | Low | 55.6 | Low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -65.6 | 124 | 169.4 | -73.7 | 157.2 | 120.6 | 0 | 0 | 109.1 | F9 | E7-F9 PolarHBondContact O-N 3.34Š| ||
| 8 | T | 65.7 | Low | 54.9 | Low | 133 Ų | 133 | 144.3 Ų | 144.3 | 82% | 0.816 | 82% | 0.822 | S | S | * | * | trans | -81.3 | 106.2 | 170.4 | 52.8 | 0 | 0 | 0 | 0 | 108.7 | A6 S10 | A6-T8 PolarHBondContact O-N 3.1Å; T8-S10 PolarHBondContact O-N 3.06Å | ||
| 9 | F | 58.4 | Low | 54.5 | Low | 187 Ų | 187 | 147.9 Ų | 147.9 | 82% | 0.82 | 83% | 0.828 | S | S | * | * | trans | -77.9 | 103.3 | 170.6 | -174.4 | -101.4 | 0 | 0 | 0 | 109.2 | E7 V11 | E7-F9 PolarHBondContact O-N 3.34Å; F9-V11 HydrophobicContact CD1-CG2 4.22Å; F9-V11 HydrophobicContact CE1-CG2 4.1Å | ||
| 10 | S | 60.1 | Low | 53.7 | Low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 124.4 | 170.2 | -81.6 | 0 | 0 | 0 | 0 | 109.9 | T8 | T8-S10 PolarHBondContact O-N 3.06Š|
| 11 | V | 67.7 | Low | 53.7 | Low | 125 Ų | 125 | 150 Ų | 150 | 76% | 0.758 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 121.7 | 171 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | F9 | F9-V11 HydrophobicContact CD1-CG2 4.22Å; F9-V11 HydrophobicContact CE1-CG2 4.1Å |
| 12 | E | 58.9 | Low | 53.3 | Low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 124.3 | 174.8 | -62.2 | -166 | 121.2 | 0 | 0 | 110.9 | T14 | E12-T14 PolarHBondContact O-N 3.06Š|
| 13 | E | 54.7 | Low | 53.3 | Low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 105.8 | 171.5 | -171.3 | 177.4 | 116.1 | 0 | 0 | 109.3 | Q15 | E13-Q15 PolarHBondContact O-N 3.23Å; E13-Q15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | T | 52.6 | Low | 52.5 | Low | 122 Ų | 122 | 142.7 Ų | 142.7 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 104.6 | 171.6 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | E12 T16 | E12-T14 PolarHBondContact O-N 3.06Å; T14-T16 PolarHBondContact O-N 3.44Å | ||
| 15 | Q | 48.7 | Very low | 51.6 | Low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 105.3 | 166.3 | -72.3 | 173.8 | 54.7 | 0 | 0 | 110.2 | E13 | E13-Q15 PolarHBondContact O-N 3.23Å; E13-Q15 VanDerWaalsContact O-N 3.15Å | ||
| 16 | T | 58.3 | Low | 51.5 | Low | 131 Ų | 131 | 146.5 Ų | 146.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -101.3 | 105.9 | 164.3 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | T14 | T14-T16 PolarHBondContact O-N 3.44Š| ||
| 17 | G | 34.2 | Very low | 50 | Low | 84 Ų | 84 | 150.8 Ų | 150.8 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -68.7 | 143.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 18 | G | 43 | Very low | 49.1 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -150 | 74.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 19 | K | 48.9 | Very low | 48 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | 44.3 | 125.8 | 142.2 | -138 | 162.2 | -176.5 | 172.9 | 0 | 122 | ||||
| 20 | A | 38.2 | Very low | 46.8 | Very low | 88 Ų | 88 | 151.7 Ų | 151.7 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -50.9 | 146.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 21 | R | 52.3 | Low | 46.2 | Very low | 250 Ų | 250 | 152.6 Ų | 152.6 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | -138.4 | 130.1 | 144.6 | -71.7 | -169 | 176.2 | -170.1 | -1.2 | 110 | ||||
| 22 | K | 43.2 | Very low | 44.9 | Very low | 201 Ų | 201 | 151.4 Ų | 151.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -93.3 | 138.9 | 168.9 | -62.1 | 178.5 | 178 | -178.1 | 0 | 108.1 | ||||
| 23 | S | 43.2 | Very low | 44.2 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | trans | -175 | 138 | 144.3 | 38.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 24 | A | 44.6 | Very low | 43.7 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | trans | -88.2 | 162.4 | -165 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 25 | T | 42.6 | Very low | 43.2 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | 42.3 | 112.4 | 145.7 | 45.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 26 | E | 43.9 | Very low | 42.8 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | -156.1 | 156.7 | 123 | -159 | 154 | 108.1 | 0 | 0 | 111.4 | |||||
| 27 | K | 35 | Very low | 42 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | trans | -75.1 | 164 | -161 | -135.5 | -173.3 | -176.6 | -168.9 | 0 | 113.7 | ||||
| 28 | V | 37.5 | Very low | 42.3 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | trans | 105.9 | 124.2 | 141.2 | 173.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 29 | Q | 41.7 | Very low | 42.4 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | 71.2 | 94.7 | 159.7 | -131.7 | 69.2 | 7.6 | 0 | 0 | 121.2 | ||||
| 30 | R | 34.2 | Very low | 42 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -71.7 | 126.3 | 149.3 | -68.2 | 169.8 | 85.9 | -157.5 | 9.2 | 108.7 | ||||
| 31 | P | 47.5 | Very low | 42.1 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -85.9 | 110.8 | 155.5 | 25 | -13.5 | 0 | 0 | 0 | 108.1 | N33 | P31-N33 PolarHBondContact O-N 3.24Š| ||
| 32 | S | 40.2 | Very low | 41.5 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -62.8 | 121.5 | 157.3 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 33 | N | 44.1 | Very low | 41.4 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -137.7 | 87.3 | 156.1 | -105.9 | 20.1 | 0 | 0 | 0 | 108.5 | P31 | P31-N33 PolarHBondContact O-N 3.24Š| ||
| 34 | S | 44.9 | Very low | 41.8 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 135.8 | 158.8 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 35 | A | 41.8 | Very low | 42.4 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 56.4 | 119.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 36 | S | 38.7 | Very low | 43.4 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | 168.7 | 145.3 | 106.6 | -75 | 0 | 0 | 0 | 0 | 112 | |||||
| 37 | L | 43.1 | Very low | 44.5 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -53.6 | 127.2 | 167.8 | -61.5 | 154.3 | 0 | 0 | 0 | 109.9 | ||||
| 38 | S | 39.3 | Very low | 46.2 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -146.3 | 105.4 | 161 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | E40 | S38-E40 PolarHBondContact O-N 2.95Š| ||
| 39 | V | 44.9 | Very low | 47.9 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 106.6 | 168.2 | -165.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 40 | E | 40.8 | Very low | 49.3 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -132.4 | 116.1 | 167 | -83.8 | -68.7 | 93.7 | 0 | 0 | 109.1 | S38 N42 | S38-E40 PolarHBondContact O-N 2.95Å; E40-N42 PolarHBondContact O-N 3.37Å | ||
| 41 | H | 40.6 | Very low | 50.8 | Low | 193 Ų | 193 | 141 Ų | 141 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 85.8 | -171.6 | -159.7 | 84.4 | 0 | 0 | 0 | 109.4 | ||||
| 42 | N | 40 | Very low | 52.1 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -134.8 | 77.2 | 167.7 | -157.6 | 9.4 | 0 | 0 | 0 | 109.9 | E40 K44 | E40-N42 PolarHBondContact O-N 3.37Å; N42-K44 WeakPolarHBondContact ND2-CE 3.32Å; N42-K44 PolarHBondContact O-N 3.23Å | ||
| 43 | G | 40.7 | Very low | 53.7 | Low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -67.3 | 55.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q45 | G43-Q45 PolarHBondContact O-N 3.01Š| ||
| 44 | K | 51.9 | Low | 55.2 | Low | 160 Ų | 160 | 139 Ų | 139 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | -65.8 | 87.9 | 161.6 | -69.2 | -178.1 | -178.7 | 178.9 | 0 | 106.7 | N42 L46 | N42-K44 WeakPolarHBondContact ND2-CE 3.32Å; N42-K44 PolarHBondContact O-N 3.23Å; K44-L46 PolarHBondContact O-N 3.27Å | ||
| 45 | Q | 56.5 | Low | 56.8 | Low | 164 Ų | 164 | 139.7 Ų | 139.7 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -35.7 | 103.3 | 167.5 | -61.6 | -95.4 | 54.6 | 0 | 0 | 108 | G43 T47 | G43-Q45 PolarHBondContact O-N 3.01Å; Q45-T47 HydrophobicContact CB-CG2 3.81Å; Q45-T47 PolarHBondContact O-N 2.88Å | ||
| 46 | L | 63.8 | Low | 58.5 | Low | 172 Ų | 172 | 137.2 Ų | 137.2 | 90% | 0.901 | 71% | 0.71 | S | S | * | * | trans | -66.3 | 75.9 | 162.6 | -70.4 | 166.4 | 0 | 0 | 0 | 105.1 | K44 K48 | K44-L46 PolarHBondContact O-N 3.27Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.42Å | ||
| 47 | T | 66.8 | Low | 60.8 | Low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | -62.9 | 102.3 | 178.3 | 49.1 | 0 | 0 | 0 | 0 | 105.5 | Q45 V49 | Q45-T47 HydrophobicContact CB-CG2 3.81Å; Q45-T47 PolarHBondContact O-N 2.88Å; T47-V49 PolarHBondContact O-N 3.4Å | ||
| 48 | K | 70.8 | Confident | 63 | Low | 162 Ų | 162 | 132.1 Ų | 132.1 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | trans | -51.1 | 111.6 | -175.2 | -168.4 | 173.2 | -175.3 | -178.8 | 0 | 107.7 | L46 R50 | L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.42Å; K48-R50 PolarHBondContact O-N 3.48Å | ||
| 49 | V | 73.4 | Confident | 65.3 | Low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 117.2 | -177.8 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | T47 R51 | T47-V49 PolarHBondContact O-N 3.4Å; V49-R51 PolarHBondContact O-N 2.72Å |
| 50 | R | 70.7 | Confident | 67.3 | Low | 185 Ų | 185 | 127.2 Ų | 127.2 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.9 | -175.1 | -139.1 | 175.4 | 168 | -172.1 | -4.5 | 107.9 | K48 A123 | K48-R50 PolarHBondContact O-N 3.48Å; R50-A123 VanDerWaalsContact NH2-CB 3.31Å |
| 51 | R | 67.4 | Low | 69.4 | Low | 203 Ų | 203 | 121.3 Ų | 121.3 | 77% | 0.766 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 141.1 | 179.5 | -67.7 | -173.9 | -178.6 | 93.5 | -3 | 110.5 | V49 R53 | V49-R51 PolarHBondContact O-N 2.72Å; R51-R53 PolarHBondContact O-N 3.48Å |
| 52 | N | 73.2 | Confident | 71.7 | Confident | 145 Ų | 145 | 117.3 Ų | 117.3 | 78% | 0.775 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.8 | 179.8 | -48.3 | 46.9 | 0 | 0 | 0 | 110.1 | R92 | N52-R92 PolarHBondContact O-NH2 2.93Š|
| 53 | R | 74.3 | Confident | 73.9 | Confident | 160 Ų | 160 | 112.8 Ų | 112.8 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 132.9 | 176.9 | -171.1 | 176.6 | -178.4 | -169.6 | -3.9 | 109.1 | R51 C120 | R51-R53 PolarHBondContact O-N 3.48Å; R53-C120 PolarHBondContact NE-SG 3.48Å; R53-C120 PolarHBondContact NH2-SG 3.09Å |
| 54 | T | 75.2 | Confident | 75.9 | Confident | 42 Ų | 42 | 109.7 Ų | 109.7 | 26% | 0.258 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 126.6 | 171.8 | -61 | 0 | 0 | 0 | 0 | 108 | L88 R92 | T54-L88 HydrophobicContact CG2-CD2 3.99Å; T54-R92 VanDerWaalsContact CB-NH2 3.33Å; T54-R92 VanDerWaalsContact OG1-CZ 3.27Å; T54-R92 PolarHBondContact OG1-NE 3.35Å; T54-R92 VanDerWaalsContact OG1-NE 3.08Å; T54-R92 PolarHBondContact OG1-NH2 3.21Å |
| 55 | T | 78.8 | Confident | 77.4 | Confident | 120 Ų | 120 | 106.3 Ų | 106.3 | 74% | 0.736 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 124 | 166.3 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 56 | F | 78.5 | Confident | 78.8 | Confident | 39 Ų | 39 | 105.3 Ų | 105.3 | 17% | 0.171 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 144.5 | 177.7 | -64.6 | -88.8 | 0 | 0 | 0 | 110.3 | Q60 L61 L64 L88 | F56-Q60 VanDerWaalsContact CA-OE1 3.28Å; F56-Q60 HydrophobicContact CB-CB 4.29Å; F56-Q60 HydrophobicContact CD1-CB 4.08Å; F56-L61 HydrophobicContact CB-CD2 3.64Å; F56-L61 HydrophobicContact CB-CG 3.81Å; F56-L61 HydrophobicContact CD2-CD2 4.33Å; F56-L61 HydrophobicContact CG-CD2 4.09Å; F56-L64 HydrophobicContact CD1-CD1 3.75Å; F56-L64 HydrophobicContact CE1-CD1 3.55Å; F56-L64 HydrophobicContact CG-CD1 4.45Å; F56-L64 HydrophobicContact CZ-CD1 4.17Å; F56-L88 HydrophobicContact CD1-CD1 4.49Å; F56-L88 HydrophobicContact CD1-CD2 4.01Å; F56-L88 HydrophobicContact CE1-CD1 4.42Å; F56-L88 HydrophobicContact CE1-CD2 3.24Å; F56-L88 HydrophobicContact CE1-CG 4.46Å; F56-L88 HydrophobicContact CZ-CD2 3.85Å |
| 57 | T | 87 | Confident | 79.6 | Confident | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 160.3 | 166.8 | 74.2 | 0 | 0 | 0 | 0 | 110 | F59 Q60 L61 | T57-F59 PolarHBondContact O-N 2.83Å; T57-Q60 PolarHBondContact O-N 2.96Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.49Å; T57-Q60 PolarHBondContact OG1-N 3.49Å; T57-L61 PolarHBondContact O-N 3.41Å |
| 58 | T | 87.9 | Confident | 80.2 | Confident | 102 Ų | 102 | 96.1 Ų | 96.1 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54.6 | -40.2 | 178.3 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | L61 H62 | T58-L61 PolarHBondContact O-N 3.46Å; T58-H62 PolarHBondContact O-N 3.5Å; T58-H62 VanDerWaalsContact O-N 3.1Å |
| 59 | F | 88.9 | Confident | 80.6 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 50% | 0.496 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.5 | 171.6 | -103.4 | 0 | 0 | 0 | 112.3 | T57 L61 H62 E63 | T57-F59 PolarHBondContact O-N 2.83Å; F59-L61 VanDerWaalsContact C-N 3.28Å; F59-L61 PolarHBondContact O-N 2.92Å; F59-H62 PolarHBondContact O-N 3.08Å; F59-E63 HydrophobicContact CD2-CG 4.48Å; F59-E63 HydrophobicContact CE1-CG 4.19Å; F59-E63 HydrophobicContact CE2-CG 3.91Å; F59-E63 HydrophobicContact CZ-CG 3.74Å; F59-E63 PolarHBondContact O-N 3.47Å; F59-E63 VanDerWaalsContact O-N 3.09Å |
| 60 | Q | 85.4 | Confident | 80.9 | Confident | 27 Ų | 27 | 97.2 Ų | 97.2 | 13% | 0.126 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 179.8 | -63.2 | 172.8 | -28.1 | 0 | 0 | 111.3 | F56 T57 E63 L64 I86 L88 | F56-Q60 VanDerWaalsContact CA-OE1 3.28Å; F56-Q60 HydrophobicContact CB-CB 4.29Å; F56-Q60 HydrophobicContact CD1-CB 4.08Å; T57-Q60 PolarHBondContact O-N 2.96Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.49Å; T57-Q60 PolarHBondContact OG1-N 3.49Å; Q60-E63 PolarHBondContact O-N 3.24Å; Q60-L64 WeakPolarHBondContact O-CB 3.18Å; Q60-L64 WeakPolarHBondContact O-CD1 3.25Å; Q60-L64 VanDerWaalsContact O-CG 3.24Å; Q60-L64 WeakPolarHBondContact O-CG 3.38Å; Q60-L64 PolarHBondContact O-N 3.2Å; Q60-I86 HydrophobicContact CB-CB 4.15Å; Q60-I86 HydrophobicContact CB-CG2 4.18Å; Q60-I86 HydrophobicContact CG-CB 3.89Å; Q60-I86 HydrophobicContact CG-CG2 4.29Å; Q60-I86 PolarHBondContact NE2-O 2.99Å; Q60-L88 VanDerWaalsContact NE2-CD1 3.26Å |
| 61 | L | 85.6 | Confident | 80.9 | Confident | 50 Ų | 50 | 90.3 Ų | 90.3 | 26% | 0.262 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.2 | -67.8 | 174.7 | 0 | 0 | 0 | 111.5 | F56 T57 T58 F59 E63 L64 E65 V116 | F56-L61 HydrophobicContact CB-CD2 3.64Å; F56-L61 HydrophobicContact CB-CG 3.81Å; F56-L61 HydrophobicContact CD2-CD2 4.33Å; F56-L61 HydrophobicContact CG-CD2 4.09Å; T57-L61 PolarHBondContact O-N 3.41Å; T58-L61 PolarHBondContact O-N 3.46Å; F59-L61 VanDerWaalsContact C-N 3.28Å; F59-L61 PolarHBondContact O-N 2.92Å; L61-E63 VanDerWaalsContact C-N 3.35Å; L61-E63 PolarHBondContact O-N 2.95Å; L61-L64 PolarHBondContact O-N 3.02Å; L61-E65 WeakPolarHBondContact O-CB 3.43Å; L61-E65 PolarHBondContact O-N 3.04Å; L61-V116 HydrophobicContact CB-CG1 4.43Å; L61-V116 HydrophobicContact CD1-CG1 4.18Å; L61-V116 HydrophobicContact CD2-CG1 3.77Å; L61-V116 HydrophobicContact CG-CG1 4.34Å |
| 62 | H | 88.3 | Confident | 81.3 | Confident | 109 Ų | 109 | 82.7 Ų | 82.7 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 178.1 | -75.1 | 179.3 | 0 | 0 | 0 | 112.7 | T58 F59 E65 R66 | T58-H62 PolarHBondContact O-N 3.5Å; T58-H62 VanDerWaalsContact O-N 3.1Å; F59-H62 PolarHBondContact O-N 3.08Å; H62-E65 PolarHBondContact O-N 3.32Å; H62-R66 WeakPolarHBondContact O-CB 3.48Å; H62-R66 PolarHBondContact O-N 3.47Å |
| 63 | E | 87.1 | Confident | 81.2 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.8 | -37 | 177.6 | -70.7 | -61.3 | 129 | 0 | 0 | 112.1 | F59 Q60 L61 R66 A67 K85 I86 | F59-E63 HydrophobicContact CD2-CG 4.48Å; F59-E63 HydrophobicContact CE1-CG 4.19Å; F59-E63 HydrophobicContact CE2-CG 3.91Å; F59-E63 HydrophobicContact CZ-CG 3.74Å; F59-E63 PolarHBondContact O-N 3.47Å; F59-E63 VanDerWaalsContact O-N 3.09Å; Q60-E63 PolarHBondContact O-N 3.24Å; L61-E63 VanDerWaalsContact C-N 3.35Å; L61-E63 PolarHBondContact O-N 2.95Å; E63-R66 IonicContact OE1-NH1 3.48Å; E63-R66 PolarHBondContact OE1-NH1 3.11Å; E63-A67 WeakPolarHBondContact O-CB 3.41Å; E63-A67 PolarHBondContact O-N 3Å; E63-A67 VanDerWaalsContact O-N 3.08Å; E63-K85 WeakPolarHBondContact OE2-CD 3.33Å; E63-K85 WeakPolarHBondContact OE2-CE 3.35Å; E63-K85 IonicContact OE2-NZ 2.72Å; E63-K85 PolarHBondContact OE2-NZ 3.4Å; E63-I86 HydrophobicContact CB-CG2 3.75Å; E63-I86 HydrophobicContact CG-CG2 4.45Å |
| 64 | L | 83 | Confident | 81.1 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 173.1 | -74.7 | 166.4 | 0 | 0 | 0 | 112 | F56 Q60 L61 A67 F68 L82 I86 V93 F119 | F56-L64 HydrophobicContact CD1-CD1 3.75Å; F56-L64 HydrophobicContact CE1-CD1 3.55Å; F56-L64 HydrophobicContact CG-CD1 4.45Å; F56-L64 HydrophobicContact CZ-CD1 4.17Å; Q60-L64 WeakPolarHBondContact O-CB 3.18Å; Q60-L64 WeakPolarHBondContact O-CD1 3.25Å; Q60-L64 VanDerWaalsContact O-CG 3.24Å; Q60-L64 WeakPolarHBondContact O-CG 3.38Å; Q60-L64 PolarHBondContact O-N 3.2Å; L61-L64 PolarHBondContact O-N 3.02Å; L64-A67 PolarHBondContact O-N 3.31Å; L64-F68 WeakPolarHBondContact O-CB 3.37Å; L64-F68 PolarHBondContact O-N 3.41Å; L64-L82 HydrophobicContact CD2-CD1 4.33Å; L64-L82 HydrophobicContact CD2-CD2 3.65Å; L64-L82 HydrophobicContact CG-CD2 4.18Å; L64-I86 HydrophobicContact CD1-CD1 4.13Å; L64-I86 HydrophobicContact CD2-CD1 3.85Å; L64-I86 HydrophobicContact CG-CD1 3.96Å; L64-V93 HydrophobicContact CD2-CG1 4.43Å; L64-F119 HydrophobicContact CD2-CE1 4.05Å; L64-F119 HydrophobicContact CD2-CZ 4.35Å |
| 65 | E | 83.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66 | -47.2 | -179.4 | -156.7 | 157.3 | -131.6 | 0 | 0 | 110.8 | L61 H62 A67 F68 E69 V116 | L61-E65 WeakPolarHBondContact O-CB 3.43Å; L61-E65 PolarHBondContact O-N 3.04Å; H62-E65 PolarHBondContact O-N 3.32Å; E65-A67 VanDerWaalsContact C-N 3.28Å; E65-A67 PolarHBondContact O-N 3.08Å; E65-F68 WeakPolarHBondContact O-CB 3.48Å; E65-F68 PolarHBondContact O-N 2.89Å; E65-F68 VanDerWaalsContact O-N 3.11Å; E65-E69 WeakPolarHBondContact O-CG 3.47Å; E65-E69 PolarHBondContact O-N 2.71Å; E65-V116 WeakPolarHBondContact OE1-CG2 3.44Å |
| 66 | R | 84.5 | Confident | 81.7 | Confident | 143 Ų | 143 | 74.2 Ų | 74.2 | 54% | 0.54 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 176.8 | -166 | -177.2 | -74.8 | 174.5 | -9.9 | 112.9 | H62 E63 | H62-R66 WeakPolarHBondContact O-CB 3.48Å; H62-R66 PolarHBondContact O-N 3.47Å; E63-R66 IonicContact OE1-NH1 3.48Å; E63-R66 PolarHBondContact OE1-NH1 3.11Å |
| 67 | A | 82 | Confident | 82 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.8 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E63 L64 E65 E69 K70 S71 L82 | E63-A67 WeakPolarHBondContact O-CB 3.41Å; E63-A67 PolarHBondContact O-N 3Å; E63-A67 VanDerWaalsContact O-N 3.08Å; L64-A67 PolarHBondContact O-N 3.31Å; E65-A67 VanDerWaalsContact C-N 3.28Å; E65-A67 PolarHBondContact O-N 3.08Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3.4Å; A67-K70 PolarHBondContact O-N 3.08Å; A67-S71 PolarHBondContact O-N 3.17Å; A67-L82 HydrophobicContact CB-CD1 3.19Å; A67-L82 HydrophobicContact CB-CG 3.9Å |
| 68 | F | 78.4 | Confident | 81.7 | Confident | 71 Ų | 71 | 80 Ų | 80 | 31% | 0.311 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 178.6 | -163.8 | -101 | 0 | 0 | 0 | 112 | L64 E65 K70 S71 H72 F119 | L64-F68 WeakPolarHBondContact O-CB 3.37Å; L64-F68 PolarHBondContact O-N 3.41Å; E65-F68 WeakPolarHBondContact O-CB 3.48Å; E65-F68 PolarHBondContact O-N 2.89Å; E65-F68 VanDerWaalsContact O-N 3.11Å; F68-K70 VanDerWaalsContact C-N 3.3Å; F68-K70 PolarHBondContact O-N 3.01Å; F68-S71 CarbonylContact O-C 3.29Å; F68-S71 VanDerWaalsContact O-C 3.29Å; F68-S71 PolarHBondContact O-N 3.48Å; F68-H72 AromaticContact CD1-CE1 3.99Å; F68-H72 AromaticContact CD1-NE2 3.88Å; F68-H72 HydrophobicContact CE1-CB 4.49Å; F68-H72 AromaticContact CE1-CD2 3.22Å; F68-H72 WeakPolarHBondContact CE1-CD2 3.44Å; F68-H72 AromaticContact CE1-CE1 3.88Å; F68-H72 AromaticContact CE1-CG 3.76Å; F68-H72 AromaticContact CE1-NE2 3.33Å; F68-H72 VanDerWaalsContact CE1-NE2 3.33Å; F68-H72 WeakPolarHBondContact CE1-NE2 3.24Å; F68-H72 HydrophobicContact CE2-CB 4.06Å; F68-H72 HydrophobicContact CZ-CB 4Å; F68-H72 AromaticContact CZ-CD2 3.36Å; F68-H72 WeakPolarHBondContact CZ-CD2 3.47Å; F68-H72 AromaticContact CZ-CG 3.74Å; F68-H72 AromaticContact CZ-NE2 3.99Å; F68-H72 PolarHBondContact O-CE1 3.06Å; F68-H72 VanDerWaalsContact O-CE1 3.28Å; F68-H72 PolarHBondContact O-N 3.32Å; F68-H72 PolarHBondContact O-ND1 3.42Å; F68-F119 HydrophobicContact CD2-CE2 4.09Å; F68-F119 HydrophobicContact CE2-CE2 4.49Å |
| 69 | E | 80.3 | Confident | 81.6 | Confident | 136 Ų | 136 | 77.8 Ų | 77.8 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.8 | -40.7 | 172.7 | -73.3 | 174.9 | 175 | 0 | 0 | 112.6 | E65 A67 | E65-E69 WeakPolarHBondContact O-CG 3.47Å; E65-E69 PolarHBondContact O-N 2.71Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 3.4Å |
| 70 | K | 78.3 | Confident | 81.5 | Confident | 182 Ų | 182 | 76.5 Ų | 76.5 | 79% | 0.791 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72.2 | -43.3 | 178.4 | -67.5 | -179 | 179.3 | -175.6 | 0 | 112.3 | A67 F68 | A67-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact C-N 3.3Å; F68-K70 PolarHBondContact O-N 3.01Å |
| 71 | S | 71.9 | Confident | 81.6 | Confident | 40 Ų | 40 | 78 Ų | 78 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | trans | -152.2 | 117.3 | -174.5 | 168.3 | 0 | 0 | 0 | 0 | 108.9 | A67 F68 Y73 P74 | A67-S71 PolarHBondContact O-N 3.17Å; F68-S71 CarbonylContact O-C 3.29Å; F68-S71 VanDerWaalsContact O-C 3.29Å; F68-S71 PolarHBondContact O-N 3.48Å; S71-Y73 PolarHBondContact O-N 3.38Å; S71-Y73 PolarHBondContact OG-N 3Å; S71-Y73 PolarHBondContact OG-O 2.93Å; S71-Y73 VanDerWaalsContact OG-O 3.08Å; S71-P74 WeakPolarHBondContact O-CD 3.42Å | ||
| 72 | H | 74.3 | Confident | 81.6 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 20% | 0.199 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -73.4 | -17.3 | 174.8 | -70.1 | 42 | 0 | 0 | 0 | 112 | F68 P74 V95 F109 | F68-H72 AromaticContact CD1-CE1 3.99Å; F68-H72 AromaticContact CD1-NE2 3.88Å; F68-H72 HydrophobicContact CE1-CB 4.49Å; F68-H72 AromaticContact CE1-CD2 3.22Å; F68-H72 WeakPolarHBondContact CE1-CD2 3.44Å; F68-H72 AromaticContact CE1-CE1 3.88Å; F68-H72 AromaticContact CE1-CG 3.76Å; F68-H72 AromaticContact CE1-NE2 3.33Å; F68-H72 VanDerWaalsContact CE1-NE2 3.33Å; F68-H72 WeakPolarHBondContact CE1-NE2 3.24Å; F68-H72 HydrophobicContact CE2-CB 4.06Å; F68-H72 HydrophobicContact CZ-CB 4Å; F68-H72 AromaticContact CZ-CD2 3.36Å; F68-H72 WeakPolarHBondContact CZ-CD2 3.47Å; F68-H72 AromaticContact CZ-CG 3.74Å; F68-H72 AromaticContact CZ-NE2 3.99Å; F68-H72 PolarHBondContact O-CE1 3.06Å; F68-H72 VanDerWaalsContact O-CE1 3.28Å; F68-H72 PolarHBondContact O-N 3.32Å; F68-H72 PolarHBondContact O-ND1 3.42Å; H72-P74 VanDerWaalsContact C-CD 3.46Å; H72-V95 WeakPolarHBondContact O-CG1 3.37Å; H72-F109 AromaticContact CE1-CE1 3.59Å; H72-F109 AromaticContact CE1-CE2 3.72Å; H72-F109 AromaticContact CE1-CZ 3.02Å; H72-F109 WeakPolarHBondContact CE1-CZ 3.44Å; H72-F109 AromaticContact ND1-CE2 3.73Å; H72-F109 AromaticContact ND1-CZ 3.33Å; H72-F109 VanDerWaalsContact ND1-CZ 3.33Å; H72-F109 WeakPolarHBondContact ND1-CZ 3.5Å; H72-F109 AromaticContact NE2-CZ 3.77Å |
| 73 | Y | 72.1 | Confident | 81.6 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 42% | 0.42 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -125.6 | 72.3 | 178.3 | -58.2 | -74.2 | 0 | 0 | 0 | 109.3 | S71 D75 V95 I100 | S71-Y73 PolarHBondContact O-N 3.38Å; S71-Y73 PolarHBondContact OG-N 3Å; S71-Y73 PolarHBondContact OG-O 2.93Å; S71-Y73 VanDerWaalsContact OG-O 3.08Å; Y73-D75 PolarHBondContact O-N 3.2Å; Y73-D75 VanDerWaalsContact O-N 3.17Å; Y73-V95 HydrophobicContact CD1-CG1 3.46Å; Y73-V95 VanDerWaalsContact CD1-CG1 3.46Å; Y73-V95 HydrophobicContact CE1-CG1 3.75Å; Y73-V95 HydrophobicContact CG-CG1 4.44Å; Y73-I100 HydrophobicContact CD1-CD1 3.93Å; Y73-I100 HydrophobicContact CD1-CG1 4.18Å; Y73-I100 HydrophobicContact CE1-CD1 3.59Å; Y73-I100 HydrophobicContact CE1-CG1 3.34Å |
| 74 | P | 72.5 | Confident | 81.7 | Confident | 12 Ų | 12 | 77.1 Ų | 77.1 | 8% | 0.078 | 38% | 0.375 | C | S | . | . | trans | -57.1 | 122.8 | 174.3 | 21.9 | -35.3 | 0 | 0 | 0 | 110.2 | S71 H72 T78 R79 V95 | S71-P74 WeakPolarHBondContact O-CD 3.42Å; H72-P74 VanDerWaalsContact C-CD 3.46Å; P74-T78 HydrophobicContact CB-CG2 3.63Å; P74-R79 PolarHBondContact O-NH2 3.49Å; P74-V95 VanDerWaalsContact CD-CG2 3.45Å; P74-V95 HydrophobicContact CG-CG2 3.59Å | ||
| 75 | D | 82.9 | Confident | 81.9 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | trans | -60.6 | 164.7 | 169.2 | -175.9 | 29.4 | 0 | 0 | 0 | 110.6 | Y73 Y77 T78 R79 | Y73-D75 PolarHBondContact O-N 3.2Å; Y73-D75 VanDerWaalsContact O-N 3.17Å; D75-Y77 VanDerWaalsContact C-N 3.29Å; D75-Y77 PolarHBondContact O-N 2.89Å; D75-Y77 WeakPolarHBondContact OD2-CD2 3.37Å; D75-T78 WeakPolarHBondContact O-CA 3.38Å; D75-T78 WeakPolarHBondContact O-CB 3.35Å; D75-T78 PolarHBondContact O-N 3.18Å; D75-R79 WeakPolarHBondContact O-CB 3.28Å; D75-R79 PolarHBondContact O-N 3.47Å | ||
| 76 | V | 82.2 | Confident | 82.1 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -46.5 | -52.9 | 179.4 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | T78 R79 E80 | V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.28Å; V76-R79 WeakPolarHBondContact O-CB 3.02Å; V76-R79 PolarHBondContact O-N 2.87Å; V76-R79 VanDerWaalsContact O-N 3.08Å; V76-E80 WeakPolarHBondContact O-CG 3.36Å; V76-E80 PolarHBondContact O-N 3.41Å |
| 77 | Y | 84.9 | Confident | 82.1 | Confident | 174 Ų | 174 | 78.4 Ų | 78.4 | 68% | 0.682 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 179.6 | -63 | -70.5 | 0 | 0 | 0 | 113.3 | D75 R79 A81 | D75-Y77 VanDerWaalsContact C-N 3.29Å; D75-Y77 PolarHBondContact O-N 2.89Å; D75-Y77 WeakPolarHBondContact OD2-CD2 3.37Å; Y77-R79 VanDerWaalsContact C-N 3.28Å; Y77-R79 PolarHBondContact O-N 3.4Å; Y77-A81 WeakPolarHBondContact O-CB 3.46Å; Y77-A81 PolarHBondContact O-N 3.37Å |
| 78 | T | 82.7 | Confident | 82.2 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | P74 D75 V76 L82 | P74-T78 HydrophobicContact CB-CG2 3.63Å; D75-T78 WeakPolarHBondContact O-CA 3.38Å; D75-T78 WeakPolarHBondContact O-CB 3.35Å; D75-T78 PolarHBondContact O-N 3.18Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.28Å; T78-L82 WeakPolarHBondContact O-CB 3.43Å; T78-L82 PolarHBondContact O-N 3.07Å |
| 79 | R | 84.3 | Confident | 82.2 | Confident | 55 Ų | 55 | 78.8 Ų | 78.8 | 21% | 0.208 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68 | -43.2 | -179.7 | -157.1 | 177.5 | -71.6 | -143.3 | 12.5 | 111.5 | P74 D75 V76 Y77 L82 A83 E90 V93 | P74-R79 PolarHBondContact O-NH2 3.49Å; D75-R79 WeakPolarHBondContact O-CB 3.28Å; D75-R79 PolarHBondContact O-N 3.47Å; V76-R79 WeakPolarHBondContact O-CB 3.02Å; V76-R79 PolarHBondContact O-N 2.87Å; V76-R79 VanDerWaalsContact O-N 3.08Å; Y77-R79 VanDerWaalsContact C-N 3.28Å; Y77-R79 PolarHBondContact O-N 3.4Å; R79-L82 PolarHBondContact O-N 3.04Å; R79-A83 WeakPolarHBondContact O-CB 3.33Å; R79-A83 PolarHBondContact O-N 2.84Å; R79-E90 HydrophobicContact CB-CG 4.07Å; R79-E90 HydrophobicContact CG-CG 3.75Å; R79-V93 WeakPolarHBondContact CD-O 3.22Å; R79-V93 HydrophobicContact CG-CB 3.55Å; R79-V93 HydrophobicContact CG-CG1 3.59Å; R79-V93 HydrophobicContact CG-CG2 4.49Å; R79-V93 PolarHBondContact NE-O 2.84Å; R79-V93 PolarHBondContact NH1-O 2.97Å |
| 80 | E | 86.5 | Confident | 82.1 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 40% | 0.397 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174 | -71.4 | -177 | 153.9 | 0 | 0 | 112 | V76 L82 A83 L84 E90 | V76-E80 WeakPolarHBondContact O-CG 3.36Å; V76-E80 PolarHBondContact O-N 3.41Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.3Å; E80-A83 WeakPolarHBondContact O-CB 3.33Å; E80-A83 PolarHBondContact O-N 3.43Å; E80-L84 WeakPolarHBondContact O-CG 3.22Å; E80-L84 PolarHBondContact O-N 2.9Å; E80-E90 HydrophobicContact CG-CG 4.12Å |
| 81 | A | 88.4 | Confident | 81.9 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 50% | 0.496 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y77 K85 | Y77-A81 WeakPolarHBondContact O-CB 3.46Å; Y77-A81 PolarHBondContact O-N 3.37Å; A81-K85 WeakPolarHBondContact O-CB 3.13Å; A81-K85 PolarHBondContact O-N 3.05Å |
| 82 | L | 85.8 | Confident | 82.2 | Confident | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -48.4 | 176.5 | -138.2 | 171.2 | 0 | 0 | 0 | 110.8 | L64 A67 T78 R79 E80 L84 K85 I86 V93 | L64-L82 HydrophobicContact CD2-CD1 4.33Å; L64-L82 HydrophobicContact CD2-CD2 3.65Å; L64-L82 HydrophobicContact CG-CD2 4.18Å; A67-L82 HydrophobicContact CB-CD1 3.19Å; A67-L82 HydrophobicContact CB-CG 3.9Å; T78-L82 WeakPolarHBondContact O-CB 3.43Å; T78-L82 PolarHBondContact O-N 3.07Å; R79-L82 PolarHBondContact O-N 3.04Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.3Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.99Å; L82-K85 WeakPolarHBondContact O-CB 3.46Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-I86 HydrophobicContact CD2-CD1 4.04Å; L82-I86 HydrophobicContact CD2-CG1 4.38Å; L82-I86 HydrophobicContact CD2-CG2 4.07Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 3.02Å; L82-V93 HydrophobicContact CD1-CG1 4.22Å |
| 83 | A | 87.7 | Confident | 82.1 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.9 | -45.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R79 E80 K85 I86 N87 L88 E90 V93 | R79-A83 WeakPolarHBondContact O-CB 3.33Å; R79-A83 PolarHBondContact O-N 2.84Å; E80-A83 WeakPolarHBondContact O-CB 3.33Å; E80-A83 PolarHBondContact O-N 3.43Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.06Å; A83-I86 PolarHBondContact O-N 2.9Å; A83-N87 WeakPolarHBondContact O-CA 3.41Å; A83-N87 PolarHBondContact O-N 3.34Å; A83-L88 CarbonylContact C-O 3.54Å; A83-L88 VanDerWaalsContact CB-O 3.28Å; A83-L88 WeakPolarHBondContact CB-O 3.34Å; A83-L88 PolarHBondContact O-N 2.85Å; A83-E90 HydrophobicContact CB-CB 4.23Å; A83-V93 HydrophobicContact CB-CG2 4.23Å |
| 84 | L | 89.1 | Confident | 82 | Confident | 138 Ų | 138 | 73.4 Ų | 73.4 | 72% | 0.723 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 173.8 | -70.1 | 171.7 | 0 | 0 | 0 | 111.7 | E80 L82 I86 N87 | E80-L84 WeakPolarHBondContact O-CG 3.22Å; E80-L84 PolarHBondContact O-N 2.9Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.99Å; L84-I86 PolarHBondContact O-N 3.47Å; L84-N87 PolarHBondContact O-N 2.98Å |
| 85 | K | 88 | Confident | 81.3 | Confident | 118 Ų | 118 | 74 Ų | 74 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | -176.9 | -157.9 | 168.8 | -174.5 | -164.5 | 0 | 113.4 | E63 A81 L82 A83 | E63-K85 WeakPolarHBondContact OE2-CD 3.33Å; E63-K85 WeakPolarHBondContact OE2-CE 3.35Å; E63-K85 IonicContact OE2-NZ 2.72Å; E63-K85 PolarHBondContact OE2-NZ 3.4Å; A81-K85 WeakPolarHBondContact O-CB 3.13Å; A81-K85 PolarHBondContact O-N 3.05Å; L82-K85 WeakPolarHBondContact O-CB 3.46Å; L82-K85 PolarHBondContact O-N 2.85Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3.06Å |
| 86 | I | 86.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -95.3 | 0.6 | 179.5 | 67.4 | 173.8 | 0 | 0 | 0 | 113.5 | Q60 E63 L64 L82 A83 L84 L88 V93 | Q60-I86 HydrophobicContact CB-CB 4.15Å; Q60-I86 HydrophobicContact CB-CG2 4.18Å; Q60-I86 HydrophobicContact CG-CB 3.89Å; Q60-I86 HydrophobicContact CG-CG2 4.29Å; Q60-I86 PolarHBondContact NE2-O 2.99Å; E63-I86 HydrophobicContact CB-CG2 3.75Å; E63-I86 HydrophobicContact CG-CG2 4.45Å; L64-I86 HydrophobicContact CD1-CD1 4.13Å; L64-I86 HydrophobicContact CD2-CD1 3.85Å; L64-I86 HydrophobicContact CG-CD1 3.96Å; L82-I86 HydrophobicContact CD2-CD1 4.04Å; L82-I86 HydrophobicContact CD2-CG1 4.38Å; L82-I86 HydrophobicContact CD2-CG2 4.07Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 3.02Å; A83-I86 PolarHBondContact O-N 2.9Å; L84-I86 PolarHBondContact O-N 3.47Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 HydrophobicContact CB-CD1 4.31Å; I86-L88 HydrophobicContact CD1-CB 4.09Å; I86-L88 HydrophobicContact CD1-CD1 4.03Å; I86-L88 HydrophobicContact CD1-CD2 4.36Å; I86-L88 HydrophobicContact CD1-CG 4.38Å; I86-L88 HydrophobicContact CG1-CB 3.98Å; I86-L88 HydrophobicContact CG1-CD1 3.92Å; I86-L88 HydrophobicContact CG1-CG 4.46Å; I86-L88 VanDerWaalsContact O-CD1 3.25Å; I86-L88 WeakPolarHBondContact O-CD1 3.41Å; I86-L88 PolarHBondContact O-N 3.08Å; I86-V93 HydrophobicContact CD1-CG2 4.4Å |
| 87 | N | 85.9 | Confident | 78.8 | Confident | 145 Ų | 145 | 77.7 Ų | 77.7 | 78% | 0.775 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 44.3 | -174.4 | -66.9 | -80 | 0 | 0 | 0 | 113.2 | A83 L84 | A83-N87 WeakPolarHBondContact O-CA 3.41Å; A83-N87 PolarHBondContact O-N 3.34Å; L84-N87 PolarHBondContact O-N 2.98Å |
| 88 | L | 83.5 | Confident | 77.2 | Confident | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | trans | -115.6 | 154.8 | 171.8 | -90.6 | 79.6 | 0 | 0 | 0 | 110.9 | T54 F56 Q60 A83 I86 R92 | T54-L88 HydrophobicContact CG2-CD2 3.99Å; F56-L88 HydrophobicContact CD1-CD1 4.49Å; F56-L88 HydrophobicContact CD1-CD2 4.01Å; F56-L88 HydrophobicContact CE1-CD1 4.42Å; F56-L88 HydrophobicContact CE1-CD2 3.24Å; F56-L88 HydrophobicContact CE1-CG 4.46Å; F56-L88 HydrophobicContact CZ-CD2 3.85Å; Q60-L88 VanDerWaalsContact NE2-CD1 3.26Å; A83-L88 CarbonylContact C-O 3.54Å; A83-L88 VanDerWaalsContact CB-O 3.28Å; A83-L88 WeakPolarHBondContact CB-O 3.34Å; A83-L88 PolarHBondContact O-N 2.85Å; I86-L88 VanDerWaalsContact C-N 3.32Å; I86-L88 HydrophobicContact CB-CD1 4.31Å; I86-L88 HydrophobicContact CD1-CB 4.09Å; I86-L88 HydrophobicContact CD1-CD1 4.03Å; I86-L88 HydrophobicContact CD1-CD2 4.36Å; I86-L88 HydrophobicContact CD1-CG 4.38Å; I86-L88 HydrophobicContact CG1-CB 3.98Å; I86-L88 HydrophobicContact CG1-CD1 3.92Å; I86-L88 HydrophobicContact CG1-CG 4.46Å; I86-L88 VanDerWaalsContact O-CD1 3.25Å; I86-L88 WeakPolarHBondContact O-CD1 3.41Å; I86-L88 PolarHBondContact O-N 3.08Å; L88-R92 HydrophobicContact CB-CB 4.44Å; L88-R92 HydrophobicContact CD2-CB 3.78Å; L88-R92 HydrophobicContact CD2-CG 4.3Å | ||
| 89 | P | 77.3 | Confident | 75.6 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | trans | -61.6 | 139 | 167.7 | 0.1 | 7.3 | 0 | 0 | 0 | 110.1 | I91 R92 | P89-I91 HydrophobicContact CB-CG2 4.4Å; P89-I91 PolarHBondContact O-N 3.08Å; P89-R92 HydrophobicContact CB-CG 4.25Å; P89-R92 HydrophobicContact CG-CG 3.72Å; P89-R92 WeakPolarHBondContact O-CB 3.2Å; P89-R92 PolarHBondContact O-N 3.17Å | ||
| 90 | E | 79.8 | Confident | 74.3 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -50 | -37.3 | 178 | -169.2 | -154.9 | 162.9 | 0 | 0 | 112.2 | R79 E80 A83 R92 V93 | R79-E90 HydrophobicContact CB-CG 4.07Å; R79-E90 HydrophobicContact CG-CG 3.75Å; E80-E90 HydrophobicContact CG-CG 4.12Å; A83-E90 HydrophobicContact CB-CB 4.23Å; E90-R92 PolarHBondContact O-N 2.71Å; E90-V93 WeakPolarHBondContact O-CB 3.2Å; E90-V93 PolarHBondContact O-N 3.27Å |
| 91 | I | 73.3 | Confident | 72.7 | Confident | 132 Ų | 132 | 80.8 Ų | 80.8 | 68% | 0.677 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -59.8 | -21.7 | 179 | -135.7 | 164.8 | 0 | 0 | 0 | 113.6 | P89 | P89-I91 HydrophobicContact CB-CG2 4.4Å; P89-I91 PolarHBondContact O-N 3.08Å |
| 92 | R | 78.2 | Confident | 70.9 | Confident | 79 Ų | 79 | 84 Ų | 84 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -83.4 | -19.9 | 176.6 | -56.9 | -63.3 | -82.8 | -178.2 | -14.8 | 112.3 | N52 T54 L88 P89 E90 Q94 | N52-R92 PolarHBondContact O-NH2 2.93Å; T54-R92 VanDerWaalsContact CB-NH2 3.33Å; T54-R92 VanDerWaalsContact OG1-CZ 3.27Å; T54-R92 PolarHBondContact OG1-NE 3.35Å; T54-R92 VanDerWaalsContact OG1-NE 3.08Å; T54-R92 PolarHBondContact OG1-NH2 3.21Å; L88-R92 HydrophobicContact CB-CB 4.44Å; L88-R92 HydrophobicContact CD2-CB 3.78Å; L88-R92 HydrophobicContact CD2-CG 4.3Å; P89-R92 HydrophobicContact CB-CG 4.25Å; P89-R92 HydrophobicContact CG-CG 3.72Å; P89-R92 WeakPolarHBondContact O-CB 3.2Å; P89-R92 PolarHBondContact O-N 3.17Å; E90-R92 PolarHBondContact O-N 2.71Å; R92-Q94 PolarHBondContact O-N 3.3Å |
| 93 | V | 73.2 | Confident | 69.2 | Low | 2 Ų | 2 | 87.7 Ų | 87.7 | 1% | 0.012 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -82.3 | 76.9 | 171.3 | -171.6 | 0 | 0 | 0 | 0 | 107.2 | L64 R79 L82 A83 I86 E90 | L64-V93 HydrophobicContact CD2-CG1 4.43Å; R79-V93 WeakPolarHBondContact CD-O 3.22Å; R79-V93 HydrophobicContact CG-CB 3.55Å; R79-V93 HydrophobicContact CG-CG1 3.59Å; R79-V93 HydrophobicContact CG-CG2 4.49Å; R79-V93 PolarHBondContact NE-O 2.84Å; R79-V93 PolarHBondContact NH1-O 2.97Å; L82-V93 HydrophobicContact CD1-CG1 4.22Å; A83-V93 HydrophobicContact CB-CG2 4.23Å; I86-V93 HydrophobicContact CD1-CG2 4.4Å; E90-V93 WeakPolarHBondContact O-CB 3.2Å; E90-V93 PolarHBondContact O-N 3.27Å |
| 94 | Q | 69.3 | Low | 67.3 | Low | 113 Ų | 113 | 92.7 Ų | 92.7 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | trans | -103.4 | 118.1 | -174.9 | -116.9 | 178.8 | 1.1 | 0 | 0 | 112.2 | R92 | R92-Q94 PolarHBondContact O-N 3.3Š| ||
| 95 | V | 57.2 | Low | 65.4 | Low | 24 Ų | 24 | 92 Ų | 92 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | trans | -82.2 | 119.8 | 165.6 | -168.9 | 0 | 0 | 0 | 0 | 108 | H72 Y73 P74 K97 | H72-V95 WeakPolarHBondContact O-CG1 3.37Å; Y73-V95 HydrophobicContact CD1-CG1 3.46Å; Y73-V95 VanDerWaalsContact CD1-CG1 3.46Å; Y73-V95 HydrophobicContact CE1-CG1 3.75Å; Y73-V95 HydrophobicContact CG-CG1 4.44Å; P74-V95 VanDerWaalsContact CD-CG2 3.45Å; P74-V95 HydrophobicContact CG-CG2 3.59Å; V95-K97 PolarHBondContact O-N 3.48Å | ||
| 96 | R | 59.8 | Low | 63.5 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 24% | 0.242 | 47% | 0.47 | C | S | . | . | trans | -68.2 | 106.1 | -177.7 | -67.4 | -167.7 | -75.3 | 129.5 | -6.5 | 109.3 | Q98 M99 K118 M122 | R96-Q98 PolarHBondContact O-N 3.08Å; R96-M99 PolarHBondContact O-N 2.97Å; R96-K118 PolarHBondContact NE-O 3.38Å; R96-M122 HydrophobicContact CG-CE 4.48Å; R96-M122 HydrophobicContact CG-CG 4.3Å | ||
| 97 | K | 52.7 | Low | 61.6 | Low | 183 Ų | 183 | 96.6 Ų | 96.6 | 80% | 0.796 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -26.6 | 173.3 | -67.6 | -168 | 177.9 | -174.7 | 0 | 112.8 | V95 M99 I100 | V95-K97 PolarHBondContact O-N 3.48Å; K97-M99 PolarHBondContact O-N 3.39Å; K97-I100 WeakPolarHBondContact O-CB 3.32Å; K97-I100 PolarHBondContact O-N 3.05Å |
| 98 | Q | 51.8 | Low | 59.8 | Low | 119 Ų | 119 | 100.2 Ų | 100.2 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -26.6 | 177.4 | -161.2 | 60.4 | 43.6 | 0 | 0 | 113.9 | R96 I100 | R96-Q98 PolarHBondContact O-N 3.08Å; Q98-I100 PolarHBondContact O-N 3.25Å |
| 99 | M | 49.2 | Very low | 57.7 | Low | 58 Ų | 58 | 106 Ų | 106 | 29% | 0.286 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.9 | -19.9 | 175.9 | -66 | -150.6 | -168.6 | 0 | 0 | 113 | R96 K97 H101 L103 K118 | R96-M99 PolarHBondContact O-N 2.97Å; K97-M99 PolarHBondContact O-N 3.39Å; M99-H101 VanDerWaalsContact C-N 3.32Å; M99-H101 PolarHBondContact O-N 3.02Å; M99-L103 WeakPolarHBondContact O-CB 3.48Å; M99-L103 PolarHBondContact O-N 2.86Å; M99-L103 VanDerWaalsContact O-N 3.08Å; M99-K118 HydrophobicContact CE-CD 4.33Å |
| 100 | I | 57.1 | Low | 56 | Low | 101 Ų | 101 | 106.7 Ų | 106.7 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75 | -24 | -177.6 | -59 | 178.3 | 0 | 0 | 0 | 111.5 | Y73 K97 Q98 | Y73-I100 HydrophobicContact CD1-CD1 3.93Å; Y73-I100 HydrophobicContact CD1-CG1 4.18Å; Y73-I100 HydrophobicContact CE1-CD1 3.59Å; Y73-I100 HydrophobicContact CE1-CG1 3.34Å; K97-I100 WeakPolarHBondContact O-CB 3.32Å; K97-I100 PolarHBondContact O-N 3.05Å; Q98-I100 PolarHBondContact O-N 3.25Å |
| 101 | H | 52.6 | Low | 54.3 | Low | 167 Ų | 167 | 108.2 Ų | 108.2 | 77% | 0.773 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -90.7 | -22.3 | -178.1 | -127.4 | -81.1 | 0 | 0 | 0 | 114.2 | M99 | M99-H101 VanDerWaalsContact C-N 3.32Å; M99-H101 PolarHBondContact O-N 3.02Å |
| 102 | D | 51.4 | Low | 52.7 | Low | 127 Ų | 127 | 107.6 Ų | 107.6 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -112.7 | -9.6 | -176.7 | -62.1 | -43.8 | 0 | 0 | 0 | 113.5 | ||
| 103 | L | 49 | Very low | 51.2 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -125.3 | 88.2 | -179.7 | -153.7 | 74.2 | 0 | 0 | 0 | 109 | M99 | M99-L103 WeakPolarHBondContact O-CB 3.48Å; M99-L103 PolarHBondContact O-N 2.86Å; M99-L103 VanDerWaalsContact O-N 3.08Å |
| 104 | M | 47.2 | Very low | 49.7 | Very low | 112 Ų | 112 | 113.5 Ų | 113.5 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | trans | 126.9 | 92.5 | 155.2 | -63.7 | -172.4 | 86.4 | 0 | 0 | 115.5 | ||||
| 105 | P | 51 | Low | 48.7 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 81% | 0.812 | 60% | 0.599 | S | S | * | * | S | Bend | -88.6 | 107.7 | 127.8 | 32.2 | -19.5 | 0 | 0 | 0 | 107.6 | |||
| 106 | S | 47.3 | Very low | 48.2 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 75.7 | 130.9 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 118.8 | R108 | S106-R108 PolarHBondContact O-N 2.8Š|
| 107 | S | 47.7 | Very low | 47.5 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | -14.3 | 107.9 | 166.1 | -71.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 108 | R | 46.2 | Very low | 47.4 | Very low | 221 Ų | 221 | 115.3 Ų | 115.3 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | trans | -167.6 | 116.2 | 133.5 | -110.2 | 179.1 | -93.9 | -166.7 | -4.1 | 110.2 | S106 V110 | S106-R108 PolarHBondContact O-N 2.8Å; R108-V110 PolarHBondContact O-N 2.76Å | ||
| 109 | F | 40.3 | Very low | 47.2 | Very low | 139 Ų | 139 | 113.1 Ų | 113.1 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | trans | -73.5 | 100.6 | 176.3 | -154.3 | -103.3 | 0 | 0 | 0 | 108.3 | H72 V111 | H72-F109 AromaticContact CE1-CE1 3.59Å; H72-F109 AromaticContact CE1-CE2 3.72Å; H72-F109 AromaticContact CE1-CZ 3.02Å; H72-F109 WeakPolarHBondContact CE1-CZ 3.44Å; H72-F109 AromaticContact ND1-CE2 3.73Å; H72-F109 AromaticContact ND1-CZ 3.33Å; H72-F109 VanDerWaalsContact ND1-CZ 3.33Å; H72-F109 WeakPolarHBondContact ND1-CZ 3.5Å; H72-F109 AromaticContact NE2-CZ 3.77Å; F109-V111 HydrophobicContact CD1-CG2 3.55Å; F109-V111 HydrophobicContact CE1-CG2 3.58Å | ||
| 110 | V | 42.4 | Very low | 46.7 | Very low | 96 Ų | 96 | 112.1 Ų | 112.1 | 58% | 0.582 | 60% | 0.598 | S | S | * | * | trans | -94.6 | 100.5 | 166.2 | -88 | 0 | 0 | 0 | 0 | 108.2 | R108 L112 | R108-V110 PolarHBondContact O-N 2.76Å; V110-L112 VanDerWaalsContact C-N 3.26Å; V110-L112 PolarHBondContact O-N 3.23Å | ||
| 111 | V | 43.7 | Very low | 45.6 | Very low | 100 Ų | 100 | 113 Ų | 113 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | trans | -67.6 | 92 | 163.4 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | F109 P113 | F109-V111 HydrophobicContact CD1-CG2 3.55Å; F109-V111 HydrophobicContact CE1-CG2 3.58Å; V111-P113 WeakPolarHBondContact O-CD 3.42Å | ||
| 112 | L | 38.6 | Very low | 44.9 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 62% | 0.623 | 60% | 0.596 | S | S | * | * | trans | -76 | 118.6 | 171.8 | -79.7 | 166.7 | 0 | 0 | 0 | 108.1 | V110 T114 | V110-L112 VanDerWaalsContact C-N 3.26Å; V110-L112 PolarHBondContact O-N 3.23Å; L112-T114 PolarHBondContact O-N 3.15Å | ||
| 113 | P | 48.1 | Very low | 44 | Very low | 124 Ų | 124 | 107.9 Ų | 107.9 | 81% | 0.805 | 58% | 0.584 | S | S | * | * | trans | -75.7 | 17.8 | -176.9 | 32.6 | -35.2 | 0 | 0 | 0 | 112.8 | V111 | V111-P113 WeakPolarHBondContact O-CD 3.42Š| ||
| 114 | T | 41.8 | Very low | 43.4 | Very low | 82 Ų | 82 | 114.6 Ų | 114.6 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | trans | -115 | 109.9 | -176.6 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | L112 | L112-T114 PolarHBondContact O-N 3.15Š| ||
| 115 | R | 46.9 | Very low | 43.2 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | trans | 111.6 | 84.6 | 149.3 | -56.3 | -179.2 | -175.9 | -154.9 | 1.3 | 116.1 | S117 K118 | R115-S117 PolarHBondContact O-N 3.06Å; R115-S117 VanDerWaalsContact O-N 3.08Å; R115-K118 HydrophobicContact CB-CB 4.1Å; R115-K118 HydrophobicContact CB-CD 4.26Å; R115-K118 HydrophobicContact CB-CG 3.99Å; R115-K118 PolarHBondContact O-N 3.3Å | ||
| 116 | V | 48.3 | Very low | 42.8 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -44.5 | -28.5 | 138.9 | -156.3 | 0 | 0 | 0 | 0 | 111.5 | L61 E65 K118 | L61-V116 HydrophobicContact CB-CG1 4.43Å; L61-V116 HydrophobicContact CD1-CG1 4.18Å; L61-V116 HydrophobicContact CD2-CG1 3.77Å; L61-V116 HydrophobicContact CG-CG1 4.34Å; E65-V116 WeakPolarHBondContact OE1-CG2 3.44Å; V116-K118 VanDerWaalsContact C-N 3.32Å; V116-K118 PolarHBondContact O-N 3.26Å |
| 117 | S | 44 | Very low | 42.6 | Very low | 84 Ų | 84 | 114.3 Ų | 114.3 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -69.1 | -17.8 | 178.5 | -150.7 | 0 | 0 | 0 | 0 | 115.2 | R115 F119 | R115-S117 PolarHBondContact O-N 3.06Å; R115-S117 VanDerWaalsContact O-N 3.08Å; S117-F119 VanDerWaalsContact C-N 3.32Å; S117-F119 PolarHBondContact O-N 3.41Å |
| 118 | K | 50.4 | Low | 42.3 | Very low | 91 Ų | 91 | 114.9 Ų | 114.9 | 40% | 0.396 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -80.4 | -9.8 | -179.2 | -92.4 | 176.4 | 178 | 172.7 | 0 | 113.9 | R96 M99 R115 V116 | R96-K118 PolarHBondContact NE-O 3.38Å; M99-K118 HydrophobicContact CE-CD 4.33Å; R115-K118 HydrophobicContact CB-CB 4.1Å; R115-K118 HydrophobicContact CB-CD 4.26Å; R115-K118 HydrophobicContact CB-CG 3.99Å; R115-K118 PolarHBondContact O-N 3.3Å; V116-K118 VanDerWaalsContact C-N 3.32Å; V116-K118 PolarHBondContact O-N 3.26Å |
| 119 | F | 47.1 | Very low | 42 | Very low | 74 Ų | 74 | 108.3 Ų | 108.3 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -82.3 | -12.4 | 176.3 | -122.6 | -89.2 | 0 | 0 | 0 | 113.4 | L64 F68 S117 | L64-F119 HydrophobicContact CD2-CE1 4.05Å; L64-F119 HydrophobicContact CD2-CZ 4.35Å; F68-F119 HydrophobicContact CD2-CE2 4.09Å; F68-F119 HydrophobicContact CE2-CE2 4.49Å; S117-F119 VanDerWaalsContact C-N 3.32Å; S117-F119 PolarHBondContact O-N 3.41Å |
| 120 | C | 39.7 | Very low | 42.1 | Very low | 37 Ų | 37 | 106.3 Ų | 106.3 | 25% | 0.25 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -112.4 | -0.2 | -163.7 | -161.3 | 0 | 0 | 0 | 0 | 116.3 | R53 | R53-C120 PolarHBondContact NE-SG 3.48Å; R53-C120 PolarHBondContact NH2-SG 3.09Å |
| 121 | M | 33.4 | Very low | 42.1 | Very low | 120 Ų | 120 | 107 Ų | 107 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | trans | -139.5 | 77.3 | -177.8 | -67 | -159.5 | -160.7 | 0 | 0 | 113.4 | A123 | M121-A123 VanDerWaalsContact C-N 3.3Å; M121-A123 PolarHBondContact O-N 3.49Å | ||
| 122 | M | 39 | Very low | 42 | Very low | 133 Ų | 133 | 107.5 Ų | 107.5 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | trans | -87.4 | 87 | 142.2 | -82.7 | -75 | 121.9 | 0 | 0 | 107.1 | R96 | R96-M122 HydrophobicContact CG-CE 4.48Å; R96-M122 HydrophobicContact CG-CG 4.3Å | ||
| 123 | A | 32.2 | Very low | 42.3 | Very low | 52 Ų | 52 | 106.6 Ų | 106.6 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | trans | -85.4 | 106.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | R50 M121 | R50-A123 VanDerWaalsContact NH2-CB 3.31Å; M121-A123 VanDerWaalsContact C-N 3.3Å; M121-A123 PolarHBondContact O-N 3.49Å | ||
| 124 | M | 36.4 | Very low | 41.7 | Very low | 236 Ų | 236 | 105 Ų | 105 | 100% | 1.163 | 55% | 0.545 | S | S | * | . | trans | -160.6 | 0 | 141.4 | -81.9 | -163.1 | 180 | 0 | 0 | 107.1 |
Retrieved 124 of 124 residues in 496.7 ms
(Link to these results)