| 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 | 38 | Very low | 43.9 | Very low | 246 Ų | 246 | 153 Ų | 153 | 100% | 1.212 | 84% | 0.843 | S | S | * | * | 0 | 136.4 | 0 | -81.6 | 160.1 | 66.1 | 0 | 0 | 108.3 | |||||
| 2 | V | 50.5 | Low | 43.3 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 85% | 0.848 | 85% | 0.846 | S | S | * | * | trans | -53.9 | 143.5 | -171.4 | -76.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3 | K | 47.6 | Very low | 42.8 | Very low | 185 Ų | 185 | 155.8 Ų | 155.8 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 160.7 | 145.3 | 146.9 | -104.2 | -173.3 | 157.1 | 164.4 | 0 | 108.6 | ||||
| 4 | L | 46.5 | Very low | 42 | Very low | 150 Ų | 150 | 158.6 Ų | 158.6 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | cis | -152 | 148.3 | 11.5 | -81.1 | 130.8 | 0 | 0 | 0 | 104.2 | ||||
| 5 | G | 40.3 | Very low | 41.5 | Very low | 68 Ų | 68 | 159.7 Ų | 159.7 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | 91.1 | 133.2 | 67.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 6 | S | 44.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | 95.7 | 105.3 | 162.4 | -67.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | N | 45.9 | Very low | 41.3 | Very low | 151 Ų | 151 | 153.1 Ų | 153.1 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -20.1 | 165.9 | 142.5 | -71.1 | -84.4 | 0 | 0 | 0 | 119.6 | ||||
| 8 | L | 39 | Very low | 41.2 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 80% | 0.801 | 82% | 0.821 | S | S | * | * | trans | 98.8 | 106.2 | 142.8 | -99.8 | 139.9 | 0 | 0 | 0 | 117 | ||||
| 9 | S | 45 | Very low | 41.1 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | -1.7 | 133.1 | 142.1 | -43.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 10 | D | 35.3 | Very low | 41.1 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | -162 | 139 | 125.7 | -113.4 | -52.8 | 0 | 0 | 0 | 112.8 | |||||
| 11 | K | 50.1 | Low | 41.3 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 108.9 | 177.1 | -174 | 178.4 | -174.7 | -76.2 | 0 | 105.2 | ||||
| 12 | L | 37.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -132.9 | 118.4 | 172.1 | -166.7 | 60.6 | 0 | 0 | 0 | 112.5 | ||||
| 13 | E | 36 | Very low | 42.1 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -49.7 | 160 | 166.7 | -161.9 | 178.7 | 113.8 | 0 | 0 | 114.1 | ||||
| 14 | K | 31.7 | Very low | 42.3 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | 124 | 109.5 | 146.4 | -156.5 | 158.4 | -176.4 | -178.6 | 0 | 116.6 | ||||
| 15 | Q | 35 | Very low | 42.5 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -68.1 | -179.9 | 154.4 | -97.9 | -145.3 | -12 | 0 | 0 | 111.5 | ||||
| 16 | P | 45.1 | Very low | 43.1 | Very low | 98 Ų | 98 | 144 Ų | 144 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | cis | -138.6 | -172.7 | -8 | 25.3 | 0.7 | 0 | 0 | 0 | 114.9 | ||||
| 17 | S | 34.7 | Very low | 43.5 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 73.3 | 119.9 | 144.9 | 65.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 18 | A | 40 | Very low | 44.1 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | 167 | 140.6 | 95 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 19 | D | 38 | Very low | 44.8 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 57.5 | 139.6 | 152.8 | -90.5 | -134 | 0 | 0 | 0 | 119.6 | ||||
| 20 | D | 41.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -167.1 | 155.4 | 18.8 | -156.6 | -6.3 | 0 | 0 | 0 | 109.6 | ||||
| 21 | G | 44.8 | Very low | 46.1 | Very low | 51 Ų | 51 | 145.1 Ų | 145.1 | 53% | 0.526 | 79% | 0.787 | S | S | . | * | trans | 77.7 | 93.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 22 | F | 47.7 | Very low | 46.1 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | 64.5 | 152 | 140.7 | -76.5 | -98.8 | 0 | 0 | 0 | 120.3 | ||||
| 23 | D | 57 | Low | 47 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 82.6 | 48.4 | 171.2 | -61 | -31.5 | 0 | 0 | 0 | 119.9 | ||||
| 24 | N | 52.3 | Low | 47.9 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -125.4 | 58.3 | 161.1 | -91.4 | -78.9 | 0 | 0 | 0 | 113.8 | ||||
| 25 | I | 51.6 | Low | 48.6 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -142.8 | 114.4 | 144.7 | -46.7 | 171.6 | 0 | 0 | 0 | 107.8 | L27 | I25-L27 HydrophobicContact CG2-CD1 4.37Š| ||
| 26 | P | 52.1 | Low | 49.4 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -137.8 | 124.2 | 115 | 30.5 | -14.2 | 0 | 0 | 0 | 113.8 | |||||
| 27 | L | 54.1 | Low | 49.5 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | trans | 26.2 | 114.2 | 135.2 | -66.4 | 91.6 | 0 | 0 | 0 | 118.8 | I25 | I25-L27 HydrophobicContact CG2-CD1 4.37Š| ||
| 28 | I | 56.8 | Low | 50 | Low | 153 Ų | 153 | 138.9 Ų | 138.9 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 54.8 | 89.7 | 143.9 | -56 | 149.4 | 0 | 0 | 0 | 114.8 | ||||
| 29 | T | 54.6 | Low | 50.4 | Low | 138 Ų | 138 | 139.5 Ų | 139.5 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -95.1 | 122.8 | 153.8 | 41.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 30 | P | 55.2 | Low | 50.5 | Low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -69.3 | 142.3 | -177.8 | 26.8 | -33 | 0 | 0 | 0 | 112 | E32 | P30-E32 PolarHBondContact O-N 3.31Š| ||
| 31 | L | 52.4 | Low | 51.1 | Low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -53.3 | 115.6 | -178.8 | -174.3 | 66.9 | 0 | 0 | 0 | 111.8 | V33 | L31-V33 PolarHBondContact O-N 2.77Š| ||
| 32 | E | 50.8 | Low | 51.3 | Low | 147 Ų | 147 | 143.3 Ų | 143.3 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -70.6 | 123.8 | -177.6 | -152.3 | -160.3 | 164.1 | 0 | 0 | 111.1 | P30 S34 | P30-E32 PolarHBondContact O-N 3.31Å; E32-S34 WeakPolarHBondContact CG-OG 3.24Å; E32-S34 PolarHBondContact O-N 2.81Å; E32-S34 WeakPolarHBondContact OE1-CB 3.42Å; E32-S34 PolarHBondContact OE1-OG 3.02Å | ||
| 33 | V | 54.8 | Low | 51.7 | Low | 106 Ų | 106 | 142.4 Ų | 142.4 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -79 | 9.5 | -176.5 | -126.9 | 0 | 0 | 0 | 0 | 112.9 | L31 Q35 L36 | L31-V33 PolarHBondContact O-N 2.77Å; V33-Q35 PolarHBondContact O-N 3.17Å; V33-Q35 VanDerWaalsContact O-N 3.1Å; V33-L36 HydrophobicContact CB-CD1 3.83Å; V33-L36 HydrophobicContact CG1-CD1 3.48Å; V33-L36 VanDerWaalsContact CG1-CD1 3.48Å; V33-L36 HydrophobicContact CG1-CG 4.1Å; V33-L36 VanDerWaalsContact O-CB 3.24Å; V33-L36 WeakPolarHBondContact O-CB 3.32Å; V33-L36 WeakPolarHBondContact O-CD1 3.45Å; V33-L36 WeakPolarHBondContact O-CG 3.33Å; V33-L36 PolarHBondContact O-N 3.25Å |
| 34 | S | 54.6 | Low | 51.6 | Low | 88 Ų | 88 | 141.8 Ų | 141.8 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -70.7 | 0.4 | -180 | -54.2 | 0 | 0 | 0 | 0 | 114.1 | E32 L36 | E32-S34 WeakPolarHBondContact CG-OG 3.24Å; E32-S34 PolarHBondContact O-N 2.81Å; E32-S34 WeakPolarHBondContact OE1-CB 3.42Å; E32-S34 PolarHBondContact OE1-OG 3.02Å; S34-L36 VanDerWaalsContact C-N 3.35Å |
| 35 | Q | 47.8 | Very low | 51.9 | Low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -92.1 | 11.5 | 164.4 | -60.5 | -127.7 | 58.4 | 0 | 0 | 113.2 | V33 Q37 | V33-Q35 PolarHBondContact O-N 3.17Å; V33-Q35 VanDerWaalsContact O-N 3.1Å; Q35-Q37 PolarHBondContact O-N 2.77Å |
| 36 | L | 51.6 | Low | 51.9 | Low | 138 Ų | 138 | 138.8 Ų | 138.8 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | -65.4 | 52.2 | 158 | -81.6 | 158.4 | 0 | 0 | 0 | 110.7 | V33 S34 Q38 | V33-L36 HydrophobicContact CB-CD1 3.83Å; V33-L36 HydrophobicContact CG1-CD1 3.48Å; V33-L36 VanDerWaalsContact CG1-CD1 3.48Å; V33-L36 HydrophobicContact CG1-CG 4.1Å; V33-L36 VanDerWaalsContact O-CB 3.24Å; V33-L36 WeakPolarHBondContact O-CB 3.32Å; V33-L36 WeakPolarHBondContact O-CD1 3.45Å; V33-L36 WeakPolarHBondContact O-CG 3.33Å; V33-L36 PolarHBondContact O-N 3.25Å; S34-L36 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 2.95Å | ||
| 37 | Q | 47.1 | Very low | 52.1 | Low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -53.2 | 95 | -176.4 | -171.4 | 157.1 | 20.6 | 0 | 0 | 111.2 | Q35 | Q35-Q37 PolarHBondContact O-N 2.77Š| ||
| 38 | Q | 45.9 | Very low | 52.4 | Low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -64.4 | 159.9 | 146.1 | -93.4 | 174.9 | -31.5 | 0 | 0 | 109.1 | L36 | L36-Q38 PolarHBondContact O-N 2.95Š| ||
| 39 | P | 47.2 | Very low | 52.4 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -130.9 | 128.8 | -33.8 | 32 | -15 | 0 | 0 | 0 | 109.6 | A41 | P39-A41 PolarHBondContact O-N 3.1Š| ||
| 40 | L | 41.3 | Very low | 52.4 | Low | 188 Ų | 188 | 141 Ų | 141 | 98% | 0.984 | 75% | 0.752 | S | S | * | * | trans | -77.9 | 78.3 | 168.7 | -157 | 81.5 | 0 | 0 | 0 | 109.2 | D42 | L40-D42 PolarHBondContact O-N 3.44Š| ||
| 41 | A | 53.8 | Low | 52.2 | Low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | -76.3 | 97.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | P39 | P39-A41 PolarHBondContact O-N 3.1Š| ||
| 42 | D | 47.8 | Very low | 52 | Low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -144.9 | 116.7 | 136.9 | -121.6 | -14.6 | 0 | 0 | 0 | 111.2 | L40 V44 | L40-D42 PolarHBondContact O-N 3.44Å; D42-V44 PolarHBondContact O-N 3.19Å | ||
| 43 | K | 58.1 | Low | 51.9 | Low | 183 Ų | 183 | 142.5 Ų | 142.5 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -80.1 | 101.2 | -175.6 | -69 | 175.4 | -179.5 | -178.4 | 0 | 108.6 | ||||
| 44 | V | 54.3 | Low | 51.8 | Low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | -120.9 | 74 | 152.3 | -166.8 | 0 | 0 | 0 | 0 | 108.4 | D42 V46 | D42-V44 PolarHBondContact O-N 3.19Å; V44-V46 PolarHBondContact O-N 3.22Å | ||
| 45 | I | 58 | Low | 51.4 | Low | 137 Ų | 137 | 146 Ų | 146 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | -77 | 100.2 | 169.6 | -62.6 | 163.1 | 0 | 0 | 0 | 106.6 | K47 | I45-K47 PolarHBondContact O-N 2.8Š| ||
| 46 | V | 51.9 | Low | 51.6 | Low | 116 Ų | 116 | 144.3 Ų | 144.3 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | -62.3 | 106.6 | 159.6 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | V44 T48 | V44-V46 PolarHBondContact O-N 3.22Å; V46-T48 VanDerWaalsContact C-N 3.28Å; V46-T48 PolarHBondContact O-N 3.43Å | ||
| 47 | K | 55.6 | Low | 51.5 | Low | 188 Ų | 188 | 141 Ų | 141 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | -66.1 | 84.9 | 179 | -78.9 | -179.5 | 174 | 172.6 | 0 | 110 | I45 K49 | I45-K47 PolarHBondContact O-N 2.8Å; K47-K49 PolarHBondContact O-N 3.49Å | ||
| 48 | T | 61.1 | Low | 51.6 | Low | 99 Ų | 99 | 138.8 Ų | 138.8 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | trans | -69.2 | 115.7 | 159.7 | 45.1 | 0 | 0 | 0 | 0 | 108 | V46 T50 | V46-T48 VanDerWaalsContact C-N 3.28Å; V46-T48 PolarHBondContact O-N 3.43Å; T48-T50 PolarHBondContact O-N 3.28Å | ||
| 49 | K | 57.7 | Low | 51.8 | Low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 19.1 | -174.1 | -73.1 | -177.2 | 173.9 | 176.5 | 0 | 115.9 | K47 | K47-K49 PolarHBondContact O-N 3.49Š|
| 50 | T | 53.9 | Low | 52 | Low | 98 Ų | 98 | 143.1 Ų | 143.1 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -11.5 | -174 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | T48 | T48-T50 PolarHBondContact O-N 3.28Š|
| 51 | Q | 50.2 | Low | 52.5 | Low | 139 Ų | 139 | 142.7 Ų | 142.7 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -87.1 | -14.6 | -174.4 | -89.7 | -96.5 | 3.4 | 0 | 0 | 115.6 | ||
| 52 | F | 48 | Very low | 52.6 | Low | 181 Ų | 181 | 144.6 Ų | 144.6 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -89.1 | -35 | -179.9 | -95.1 | -90.3 | 0 | 0 | 0 | 114 | Q56 | F52-Q56 WeakPolarHBondContact O-CB 3.01Å; F52-Q56 PolarHBondContact O-N 2.77Å |
| 53 | Q | 50.1 | Low | 52.9 | Low | 146 Ų | 146 | 146.7 Ų | 146.7 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.5 | -39.4 | 176.2 | -79.5 | -126.9 | 27.4 | 0 | 0 | 112.1 | K55 Q56 Q57 | Q53-K55 PolarHBondContact O-N 3.48Å; Q53-Q56 PolarHBondContact O-N 2.83Å; Q53-Q57 WeakPolarHBondContact O-CA 3.46Å; Q53-Q57 WeakPolarHBondContact O-CB 3.49Å; Q53-Q57 PolarHBondContact O-N 2.84Å |
| 54 | L | 51 | Low | 52.7 | Low | 111 Ų | 111 | 143.7 Ų | 143.7 | 58% | 0.581 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.8 | -35.4 | -179.8 | -92.1 | 172.5 | 0 | 0 | 0 | 113.3 | Q58 | L54-Q58 VanDerWaalsContact O-CB 3.25Å; L54-Q58 WeakPolarHBondContact O-CB 3.02Å; L54-Q58 WeakPolarHBondContact O-CG 3.39Å; L54-Q58 PolarHBondContact O-N 3.31Å |
| 55 | K | 48 | Very low | 52.7 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77.6 | -34.3 | 179.8 | -147 | 176.1 | -173.1 | 175.6 | 0 | 112.5 | Q53 R59 | Q53-K55 PolarHBondContact O-N 3.48Å; K55-R59 PolarHBondContact O-N 3.25Å; K55-R59 VanDerWaalsContact O-N 3.08Å |
| 56 | Q | 50.7 | Low | 52.6 | Low | 136 Ų | 136 | 138.1 Ų | 138.1 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75 | -39.6 | 173.9 | -171.7 | 174.1 | -4.2 | 0 | 0 | 111.6 | F52 Q53 R59 N60 | F52-Q56 WeakPolarHBondContact O-CB 3.01Å; F52-Q56 PolarHBondContact O-N 2.77Å; Q53-Q56 PolarHBondContact O-N 2.83Å; Q56-R59 PolarHBondContact O-N 3.06Å; Q56-N60 WeakPolarHBondContact O-CB 3.45Å; Q56-N60 PolarHBondContact O-N 2.92Å |
| 57 | Q | 49.2 | Very low | 52.9 | Low | 68 Ų | 68 | 138.5 Ų | 138.5 | 32% | 0.318 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.9 | -32.8 | 174.4 | -168.5 | -173.6 | -17.6 | 0 | 0 | 111.5 | Q53 N60 R61 | Q53-Q57 WeakPolarHBondContact O-CA 3.46Å; Q53-Q57 WeakPolarHBondContact O-CB 3.49Å; Q53-Q57 PolarHBondContact O-N 2.84Å; Q57-N60 CarbonylContact O-C 3.52Å; Q57-N60 PolarHBondContact O-N 2.82Å; Q57-R61 HydrophobicContact CG-CG 3.84Å; Q57-R61 VanDerWaalsContact CG-NE 3.29Å; Q57-R61 WeakPolarHBondContact O-CA 3.17Å; Q57-R61 WeakPolarHBondContact O-CB 3.25Å; Q57-R61 WeakPolarHBondContact O-CG 3.17Å; Q57-R61 PolarHBondContact O-N 2.75Å |
| 58 | Q | 49.4 | Very low | 53 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 58% | 0.575 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.6 | -38.7 | 169.6 | -86.5 | -152.2 | -1.8 | 0 | 0 | 112.3 | L54 N60 R61 L62 | L54-Q58 VanDerWaalsContact O-CB 3.25Å; L54-Q58 WeakPolarHBondContact O-CB 3.02Å; L54-Q58 WeakPolarHBondContact O-CG 3.39Å; L54-Q58 PolarHBondContact O-N 3.31Å; Q58-N60 VanDerWaalsContact C-N 3.32Å; Q58-N60 PolarHBondContact O-N 2.64Å; Q58-R61 PolarHBondContact O-N 3.28Å; Q58-L62 HydrophobicContact CB-CD1 4.06Å; Q58-L62 HydrophobicContact CG-CD1 4.22Å; Q58-L62 VanDerWaalsContact O-CB 3.27Å; Q58-L62 WeakPolarHBondContact O-CB 3.27Å; Q58-L62 WeakPolarHBondContact O-CD1 3.43Å; Q58-L62 PolarHBondContact O-N 3.4Å; Q58-L62 VanDerWaalsContact O-N 3.15Å |
| 59 | R | 50 | Low | 52.7 | Low | 223 Ų | 223 | 141 Ų | 141 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.1 | -34 | 172.4 | -88.8 | -171.1 | 171.5 | 164.4 | -2.9 | 113.2 | K55 Q56 | K55-R59 PolarHBondContact O-N 3.25Å; K55-R59 VanDerWaalsContact O-N 3.08Å; Q56-R59 PolarHBondContact O-N 3.06Å |
| 60 | N | 51.7 | Low | 52.7 | Low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -92.6 | -1.7 | 176.7 | -93.4 | 13.2 | 0 | 0 | 0 | 115.2 | Q56 Q57 Q58 | Q56-N60 WeakPolarHBondContact O-CB 3.45Å; Q56-N60 PolarHBondContact O-N 2.92Å; Q57-N60 CarbonylContact O-C 3.52Å; Q57-N60 PolarHBondContact O-N 2.82Å; Q58-N60 VanDerWaalsContact C-N 3.32Å; Q58-N60 PolarHBondContact O-N 2.64Å |
| 61 | R | 52.6 | Low | 52.7 | Low | 179 Ų | 179 | 136 Ų | 136 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -124.9 | 19 | 176.5 | -60.2 | -164.4 | -172.9 | -165.6 | 4.8 | 113.2 | Q57 Q58 | Q57-R61 HydrophobicContact CG-CG 3.84Å; Q57-R61 VanDerWaalsContact CG-NE 3.29Å; Q57-R61 WeakPolarHBondContact O-CA 3.17Å; Q57-R61 WeakPolarHBondContact O-CB 3.25Å; Q57-R61 WeakPolarHBondContact O-CG 3.17Å; Q57-R61 PolarHBondContact O-N 2.75Å; Q58-R61 PolarHBondContact O-N 3.28Å |
| 62 | L | 55.1 | Low | 53.2 | Low | 126 Ų | 126 | 134.4 Ų | 134.4 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -98.4 | 9.1 | 175.2 | -113.3 | 81.8 | 0 | 0 | 0 | 115.7 | Q58 | Q58-L62 HydrophobicContact CB-CD1 4.06Å; Q58-L62 HydrophobicContact CG-CD1 4.22Å; Q58-L62 VanDerWaalsContact O-CB 3.27Å; Q58-L62 WeakPolarHBondContact O-CB 3.27Å; Q58-L62 WeakPolarHBondContact O-CD1 3.43Å; Q58-L62 PolarHBondContact O-N 3.4Å; Q58-L62 VanDerWaalsContact O-N 3.15Å |
| 63 | Y | 53.8 | Low | 53.7 | Low | 196 Ų | 196 | 131.3 Ų | 131.3 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | trans | -135.7 | 69.6 | 169.1 | -157.1 | -99.8 | 0 | 0 | 0 | 111.8 | P65 | Y63-P65 HydrophobicContact CD1-CB 4.49Å; Y63-P65 HydrophobicContact CD1-CG 4.22Å; Y63-P65 HydrophobicContact CE1-CB 3.83Å; Y63-P65 HydrophobicContact CE1-CG 3.72Å; Y63-P65 HydrophobicContact CE2-CB 4.43Å; Y63-P65 WeakPolarHBondContact O-CD 3.48Å | ||
| 64 | V | 54.2 | Low | 54 | Low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -92.5 | 100.4 | 147.4 | -177.7 | 0 | 0 | 0 | 0 | 104.7 | N66 | V64-N66 PolarHBondContact O-N 3.45Š| ||
| 65 | P | 55.2 | Low | 54.4 | Low | 39 Ų | 39 | 133.5 Ų | 133.5 | 25% | 0.253 | 62% | 0.621 | S | S | . | * | trans | -61.3 | 135.1 | 177 | 26.3 | -30.1 | 0 | 0 | 0 | 107 | Y63 I67 L70 | Y63-P65 HydrophobicContact CD1-CB 4.49Å; Y63-P65 HydrophobicContact CD1-CG 4.22Å; Y63-P65 HydrophobicContact CE1-CB 3.83Å; Y63-P65 HydrophobicContact CE1-CG 3.72Å; Y63-P65 HydrophobicContact CE2-CB 4.43Å; Y63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-I67 PolarHBondContact O-N 2.93Å; P65-L70 HydrophobicContact CB-CD1 3.64Å; P65-L70 HydrophobicContact CG-CD1 3.51Å | ||
| 66 | N | 56.2 | Low | 55.1 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | trans | -51.8 | 97.7 | -179.1 | -169.4 | -75.9 | 0 | 0 | 0 | 109.9 | V64 K68 K69 | V64-N66 PolarHBondContact O-N 3.45Å; N66-K68 PolarHBondContact O-N 3.08Å; N66-K68 WeakPolarHBondContact OD1-CB 3.43Å; N66-K69 PolarHBondContact O-N 3.15Å | ||
| 67 | I | 56.9 | Low | 55.6 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.1 | -9 | -174 | 42.9 | 168.8 | 0 | 0 | 0 | 113.5 | P65 N71 | P65-I67 PolarHBondContact O-N 2.93Å; I67-N71 VanDerWaalsContact O-CB 3.27Å; I67-N71 WeakPolarHBondContact O-CB 3.27Å; I67-N71 PolarHBondContact O-N 3.37Å |
| 68 | K | 58.5 | Low | 56.1 | Low | 175 Ų | 175 | 127.2 Ų | 127.2 | 76% | 0.761 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.9 | -25.9 | 174.2 | -62.5 | -177.7 | 174.7 | -176 | 0 | 113.3 | N66 | N66-K68 PolarHBondContact O-N 3.08Å; N66-K68 WeakPolarHBondContact OD1-CB 3.43Å |
| 69 | K | 54.9 | Low | 56.9 | Low | 166 Ų | 166 | 122.2 Ų | 122.2 | 72% | 0.722 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -95.9 | -24.4 | 175.8 | -90.1 | -175.7 | 177.6 | 178.8 | 0 | 114.1 | N66 | N66-K69 PolarHBondContact O-N 3.15Å |
| 70 | L | 56.8 | Low | 58.1 | Low | 83 Ų | 83 | 115.7 Ų | 115.7 | 44% | 0.435 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -78 | -32.8 | 174.9 | -67.3 | 176.4 | 0 | 0 | 0 | 111.9 | P65 I72 N73 F74 | P65-L70 HydrophobicContact CB-CD1 3.64Å; P65-L70 HydrophobicContact CG-CD1 3.51Å; L70-I72 PolarHBondContact O-N 2.88Å; L70-N73 PolarHBondContact O-N 2.85Å; L70-F74 VanDerWaalsContact O-CB 3.27Å; L70-F74 WeakPolarHBondContact O-CB 3.22Å; L70-F74 PolarHBondContact O-N 3.36Å |
| 71 | N | 55.4 | Low | 59.2 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.6 | -45 | -177.7 | -170.4 | -34.6 | 0 | 0 | 0 | 112.9 | I67 Y75 | I67-N71 VanDerWaalsContact O-CB 3.27Å; I67-N71 WeakPolarHBondContact O-CB 3.27Å; I67-N71 PolarHBondContact O-N 3.37Å; N71-Y75 WeakPolarHBondContact O-CB 3.27Å; N71-Y75 PolarHBondContact O-N 3.41Å |
| 72 | I | 58.8 | Low | 60.6 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.7 | -37 | 178.9 | 43.2 | 165.7 | 0 | 0 | 0 | 113.9 | L70 N76 | L70-I72 PolarHBondContact O-N 2.88Å; I72-N76 PolarHBondContact O-N 3.14Å; I72-N76 VanDerWaalsContact O-N 3.14Å; I72-N76 PolarHBondContact O-ND2 3.39Å |
| 73 | N | 59.8 | Low | 62.1 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -78.5 | -36.1 | 178.7 | -109.4 | 30 | 0 | 0 | 0 | 112.4 | L70 N76 D77 | L70-N73 PolarHBondContact O-N 2.85Å; N73-N76 PolarHBondContact O-N 2.69Å; N73-D77 WeakPolarHBondContact O-CB 3.05Å; N73-D77 PolarHBondContact O-N 2.67Å |
| 74 | F | 56.1 | Low | 63.7 | Low | 139 Ų | 139 | 105 Ų | 105 | 61% | 0.61 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 171.7 | -123 | -101.1 | 0 | 0 | 0 | 110.3 | L70 N76 D77 V78 | L70-F74 VanDerWaalsContact O-CB 3.27Å; L70-F74 WeakPolarHBondContact O-CB 3.22Å; L70-F74 PolarHBondContact O-N 3.36Å; F74-N76 VanDerWaalsContact C-N 3.28Å; F74-N76 PolarHBondContact O-N 3.05Å; F74-D77 PolarHBondContact O-N 3.42Å; F74-V78 HydrophobicContact CD1-CB 4.43Å; F74-V78 HydrophobicContact CD1-CG2 3.31Å; F74-V78 HydrophobicContact CE1-CG2 3.62Å; F74-V78 HydrophobicContact CG-CG2 4.15Å; F74-V78 WeakPolarHBondContact O-CA 3.22Å; F74-V78 WeakPolarHBondContact O-CB 3.03Å; F74-V78 WeakPolarHBondContact O-CG2 3Å; F74-V78 PolarHBondContact O-N 3.49Å |
| 75 | Y | 59.7 | Low | 65.4 | Low | 163 Ų | 163 | 102.9 Ų | 102.9 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 176.6 | -160.7 | -91.1 | 0 | 0 | 0 | 111.1 | N71 S79 | N71-Y75 WeakPolarHBondContact O-CB 3.27Å; N71-Y75 PolarHBondContact O-N 3.41Å; Y75-S79 WeakPolarHBondContact O-CA 2.68Å; Y75-S79 WeakPolarHBondContact O-CB 3.15Å; Y75-S79 PolarHBondContact O-N 3.41Å |
| 76 | N | 61.9 | Low | 67 | Low | 92 Ų | 92 | 102.1 Ų | 102.1 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.5 | -47.2 | 174.9 | -68.2 | -38.9 | 0 | 0 | 0 | 112.9 | I72 N73 F74 S79 D80 | I72-N76 PolarHBondContact O-N 3.14Å; I72-N76 VanDerWaalsContact O-N 3.14Å; I72-N76 PolarHBondContact O-ND2 3.39Å; N73-N76 PolarHBondContact O-N 2.69Å; F74-N76 VanDerWaalsContact C-N 3.28Å; F74-N76 PolarHBondContact O-N 3.05Å; N76-S79 PolarHBondContact O-N 3.39Å; N76-D80 WeakPolarHBondContact O-CB 3.05Å; N76-D80 VanDerWaalsContact O-CG 3.24Å; N76-D80 PolarHBondContact O-N 3.4Å |
| 77 | D | 61.2 | Low | 68.7 | Low | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 178.6 | -178.2 | -96.4 | 0 | 0 | 0 | 112.8 | N73 F74 K81 | N73-D77 WeakPolarHBondContact O-CB 3.05Å; N73-D77 PolarHBondContact O-N 2.67Å; F74-D77 PolarHBondContact O-N 3.42Å; D77-K81 WeakPolarHBondContact O-CD 3.34Å; D77-K81 VanDerWaalsContact O-CG 3.28Å; D77-K81 WeakPolarHBondContact O-CG 3.42Å; D77-K81 PolarHBondContact O-N 3.49Å; D77-K81 IonicContact OD1-NZ 2.73Å; D77-K81 PolarHBondContact OD1-NZ 2.97Å; D77-K81 IonicContact OD2-NZ 3.36Å; D77-K81 PolarHBondContact OD2-NZ 2.85Å |
| 78 | V | 60.4 | Low | 70.4 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 33% | 0.327 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -80.8 | -32.9 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | F74 D80 K81 V82 | F74-V78 HydrophobicContact CD1-CB 4.43Å; F74-V78 HydrophobicContact CD1-CG2 3.31Å; F74-V78 HydrophobicContact CE1-CG2 3.62Å; F74-V78 HydrophobicContact CG-CG2 4.15Å; F74-V78 WeakPolarHBondContact O-CA 3.22Å; F74-V78 WeakPolarHBondContact O-CB 3.03Å; F74-V78 WeakPolarHBondContact O-CG2 3Å; F74-V78 PolarHBondContact O-N 3.49Å; V78-D80 VanDerWaalsContact C-N 3.32Å; V78-D80 PolarHBondContact O-N 2.73Å; V78-K81 CarbonylContact O-C 3.59Å; V78-K81 PolarHBondContact O-N 2.86Å; V78-V82 HydrophobicContact CG1-CG2 3.62Å; V78-V82 WeakPolarHBondContact O-CA 3.4Å; V78-V82 WeakPolarHBondContact O-CB 3.43Å; V78-V82 WeakPolarHBondContact O-CG2 3.46Å; V78-V82 PolarHBondContact O-N 3.43Å |
| 79 | S | 65.5 | Low | 72.1 | Confident | 18 Ų | 18 | 97 Ų | 97 | 13% | 0.126 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 172.4 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | Y75 N76 K83 | Y75-S79 WeakPolarHBondContact O-CA 2.68Å; Y75-S79 WeakPolarHBondContact O-CB 3.15Å; Y75-S79 PolarHBondContact O-N 3.41Å; N76-S79 PolarHBondContact O-N 3.39Å; S79-K83 WeakPolarHBondContact O-CA 3.26Å; S79-K83 WeakPolarHBondContact O-CB 3.29Å; S79-K83 WeakPolarHBondContact O-CD 3.01Å; S79-K83 WeakPolarHBondContact O-CG 3.17Å; S79-K83 PolarHBondContact O-N 2.65Å; S79-K83 WeakPolarHBondContact OG-CD 3.37Å; S79-K83 WeakPolarHBondContact OG-CE 3.1Å; S79-K83 PolarHBondContact OG-NZ 2.67Å |
| 80 | D | 75.1 | Confident | 74 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.1 | -42.2 | 177.1 | -70.5 | -19.2 | 0 | 0 | 0 | 109.8 | N76 V78 V82 K83 I84 | N76-D80 WeakPolarHBondContact O-CB 3.05Å; N76-D80 VanDerWaalsContact O-CG 3.24Å; N76-D80 PolarHBondContact O-N 3.4Å; V78-D80 VanDerWaalsContact C-N 3.32Å; V78-D80 PolarHBondContact O-N 2.73Å; D80-V82 PolarHBondContact O-N 3.46Å; D80-K83 PolarHBondContact O-N 3.4Å; D80-K83 IonicContact OD1-NZ 3.95Å; D80-I84 WeakPolarHBondContact O-CB 3.44Å; D80-I84 WeakPolarHBondContact O-CD1 3.32Å; D80-I84 WeakPolarHBondContact O-CG1 3.38Å; D80-I84 PolarHBondContact O-N 2.84Å |
| 81 | K | 75.9 | Confident | 75.9 | Confident | 116 Ų | 116 | 94 Ų | 94 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 173.2 | -69.4 | 169.9 | -174.8 | 160.9 | 0 | 113.1 | D77 V78 T85 | D77-K81 WeakPolarHBondContact O-CD 3.34Å; D77-K81 VanDerWaalsContact O-CG 3.28Å; D77-K81 WeakPolarHBondContact O-CG 3.42Å; D77-K81 PolarHBondContact O-N 3.49Å; D77-K81 IonicContact OD1-NZ 2.73Å; D77-K81 PolarHBondContact OD1-NZ 2.97Å; D77-K81 IonicContact OD2-NZ 3.36Å; D77-K81 PolarHBondContact OD2-NZ 2.85Å; V78-K81 CarbonylContact O-C 3.59Å; V78-K81 PolarHBondContact O-N 2.86Å; K81-T85 WeakPolarHBondContact O-CB 3.5Å; K81-T85 PolarHBondContact O-N 2.86Å; K81-T85 PolarHBondContact O-OG1 3.36Å |
| 82 | V | 81.6 | Confident | 77.8 | Confident | 89 Ų | 89 | 93.1 Ų | 93.1 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.4 | -30.8 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | V78 D80 G86 | V78-V82 HydrophobicContact CG1-CG2 3.62Å; V78-V82 WeakPolarHBondContact O-CA 3.4Å; V78-V82 WeakPolarHBondContact O-CB 3.43Å; V78-V82 WeakPolarHBondContact O-CG2 3.46Å; V78-V82 PolarHBondContact O-N 3.43Å; D80-V82 PolarHBondContact O-N 3.46Å; V82-G86 VanDerWaalsContact O-CA 3.3Å; V82-G86 WeakPolarHBondContact O-CA 3.17Å; V82-G86 PolarHBondContact O-N 2.85Å |
| 83 | K | 86.1 | Confident | 79.6 | Confident | 115 Ų | 115 | 90.9 Ų | 90.9 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 170 | -80.5 | 165.8 | 176.6 | 163.9 | 0 | 109.6 | S79 D80 G86 L87 | S79-K83 WeakPolarHBondContact O-CA 3.26Å; S79-K83 WeakPolarHBondContact O-CB 3.29Å; S79-K83 WeakPolarHBondContact O-CD 3.01Å; S79-K83 WeakPolarHBondContact O-CG 3.17Å; S79-K83 PolarHBondContact O-N 2.65Å; S79-K83 WeakPolarHBondContact OG-CD 3.37Å; S79-K83 WeakPolarHBondContact OG-CE 3.1Å; S79-K83 PolarHBondContact OG-NZ 2.67Å; D80-K83 PolarHBondContact O-N 3.4Å; D80-K83 IonicContact OD1-NZ 3.95Å; K83-G86 PolarHBondContact O-N 3.24Å; K83-L87 VanDerWaalsContact O-CB 3.26Å; K83-L87 WeakPolarHBondContact O-CB 3.15Å; K83-L87 WeakPolarHBondContact O-CG 3.32Å; K83-L87 PolarHBondContact O-N 3.49Å |
| 84 | I | 87.4 | Confident | 81.4 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 176.8 | -67.8 | 162.5 | 0 | 0 | 0 | 109.7 | D80 G86 L87 I88 | D80-I84 WeakPolarHBondContact O-CB 3.44Å; D80-I84 WeakPolarHBondContact O-CD1 3.32Å; D80-I84 WeakPolarHBondContact O-CG1 3.38Å; D80-I84 PolarHBondContact O-N 2.84Å; I84-G86 VanDerWaalsContact C-N 3.32Å; I84-G86 PolarHBondContact O-N 2.85Å; I84-L87 PolarHBondContact O-N 3.31Å; I84-I88 HydrophobicContact CG2-CD1 3.75Å; I84-I88 HydrophobicContact CG2-CG1 4.49Å; I84-I88 WeakPolarHBondContact O-CB 3.5Å; I84-I88 WeakPolarHBondContact O-CD1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 3.09Å |
| 85 | T | 89.6 | Confident | 83.3 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | K81 I88 L89 | K81-T85 WeakPolarHBondContact O-CB 3.5Å; K81-T85 PolarHBondContact O-N 2.86Å; K81-T85 PolarHBondContact O-OG1 3.36Å; T85-I88 WeakPolarHBondContact O-CB 3.44Å; T85-I88 PolarHBondContact O-N 3.32Å; T85-L89 HydrophobicContact CG2-CD1 4.4Å; T85-L89 VanDerWaalsContact O-CG 3.29Å; T85-L89 WeakPolarHBondContact O-CG 3.26Å; T85-L89 PolarHBondContact O-N 3.42Å |
| 86 | G | 89.4 | Confident | 85 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 24% | 0.237 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V82 K83 I84 I88 L89 I90 | V82-G86 VanDerWaalsContact O-CA 3.3Å; V82-G86 WeakPolarHBondContact O-CA 3.17Å; V82-G86 PolarHBondContact O-N 2.85Å; K83-G86 PolarHBondContact O-N 3.24Å; I84-G86 VanDerWaalsContact C-N 3.32Å; I84-G86 PolarHBondContact O-N 2.85Å; G86-I88 VanDerWaalsContact C-N 3.32Å; G86-I88 PolarHBondContact O-N 2.75Å; G86-L89 PolarHBondContact O-N 3.36Å; G86-I90 WeakPolarHBondContact O-CB 3.33Å; G86-I90 WeakPolarHBondContact O-CD1 3.44Å; G86-I90 WeakPolarHBondContact O-CG1 3.13Å; G86-I90 PolarHBondContact O-N 2.82Å |
| 87 | L | 91.8 | Very high | 86.5 | Confident | 109 Ų | 109 | 83.3 Ų | 83.3 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 172.5 | -72.9 | 173.4 | 0 | 0 | 0 | 110.9 | K83 I84 I90 T91 | K83-L87 VanDerWaalsContact O-CB 3.26Å; K83-L87 WeakPolarHBondContact O-CB 3.15Å; K83-L87 WeakPolarHBondContact O-CG 3.32Å; K83-L87 PolarHBondContact O-N 3.49Å; I84-L87 PolarHBondContact O-N 3.31Å; L87-I90 PolarHBondContact O-N 3.5Å; L87-T91 WeakPolarHBondContact O-CB 3.45Å; L87-T91 VanDerWaalsContact O-CG2 3.27Å; L87-T91 WeakPolarHBondContact O-CG2 3.16Å; L87-T91 PolarHBondContact O-N 3.36Å; L87-T91 PolarHBondContact O-OG1 2.84Å; L87-T91 VanDerWaalsContact O-OG1 3.09Å |
| 88 | I | 92.7 | Very high | 88.1 | Confident | 85 Ų | 85 | 82.7 Ų | 82.7 | 44% | 0.436 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 173.7 | -68.8 | 162.8 | 0 | 0 | 0 | 110.8 | I84 T85 G86 T91 L92 | I84-I88 HydrophobicContact CG2-CD1 3.75Å; I84-I88 HydrophobicContact CG2-CG1 4.49Å; I84-I88 WeakPolarHBondContact O-CB 3.5Å; I84-I88 WeakPolarHBondContact O-CD1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 3.09Å; T85-I88 WeakPolarHBondContact O-CB 3.44Å; T85-I88 PolarHBondContact O-N 3.32Å; G86-I88 VanDerWaalsContact C-N 3.32Å; G86-I88 PolarHBondContact O-N 2.75Å; I88-T91 WeakPolarHBondContact CA-OG1 3.01Å; I88-T91 PolarHBondContact O-N 2.73Å; I88-T91 PolarHBondContact O-OG1 3.49Å; I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.26Å; I88-L92 VanDerWaalsContact O-CB 3.31Å; I88-L92 WeakPolarHBondContact O-CB 3.31Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 2.87Å |
| 89 | L | 94.7 | Very high | 89.7 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 58% | 0.576 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 177 | -70.7 | 174 | 0 | 0 | 0 | 111.8 | T85 G86 L92 A93 | T85-L89 HydrophobicContact CG2-CD1 4.4Å; T85-L89 VanDerWaalsContact O-CG 3.29Å; T85-L89 WeakPolarHBondContact O-CG 3.26Å; T85-L89 PolarHBondContact O-N 3.42Å; G86-L89 PolarHBondContact O-N 3.36Å; L89-L92 PolarHBondContact O-N 2.71Å; L89-A93 VanDerWaalsContact O-CB 3.26Å; L89-A93 WeakPolarHBondContact O-CB 3.42Å; L89-A93 PolarHBondContact O-N 2.81Å |
| 90 | I | 94.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 90.4 Ų | 90.4 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 176.1 | -68.8 | 161.3 | 0 | 0 | 0 | 110.4 | G86 L87 A93 F94 | G86-I90 WeakPolarHBondContact O-CB 3.33Å; G86-I90 WeakPolarHBondContact O-CD1 3.44Å; G86-I90 WeakPolarHBondContact O-CG1 3.13Å; G86-I90 PolarHBondContact O-N 2.82Å; L87-I90 PolarHBondContact O-N 3.5Å; I90-A93 PolarHBondContact O-N 2.78Å; I90-F94 WeakPolarHBondContact O-CB 3.35Å; I90-F94 PolarHBondContact O-N 3.25Å |
| 91 | T | 94.9 | Very high | 91.6 | Very high | 74 Ų | 74 | 90.9 Ų | 90.9 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | L87 I88 F94 L95 | L87-T91 WeakPolarHBondContact O-CB 3.45Å; L87-T91 VanDerWaalsContact O-CG2 3.27Å; L87-T91 WeakPolarHBondContact O-CG2 3.16Å; L87-T91 PolarHBondContact O-N 3.36Å; L87-T91 PolarHBondContact O-OG1 2.84Å; L87-T91 VanDerWaalsContact O-OG1 3.09Å; I88-T91 WeakPolarHBondContact CA-OG1 3.01Å; I88-T91 PolarHBondContact O-N 2.73Å; I88-T91 PolarHBondContact O-OG1 3.49Å; T91-F94 PolarHBondContact O-N 2.84Å; T91-L95 WeakPolarHBondContact O-CB 3.28Å; T91-L95 WeakPolarHBondContact O-CG 3.35Å; T91-L95 PolarHBondContact O-N 3.37Å |
| 92 | L | 95.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 90.4 Ų | 90.4 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 174 | -72.5 | 174.1 | 0 | 0 | 0 | 112.1 | I88 L89 F94 L95 T96 | I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.26Å; I88-L92 VanDerWaalsContact O-CB 3.31Å; I88-L92 WeakPolarHBondContact O-CB 3.31Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 2.87Å; L89-L92 PolarHBondContact O-N 2.71Å; L92-F94 VanDerWaalsContact C-N 3.33Å; L92-L95 PolarHBondContact O-N 3.29Å; L92-T96 WeakPolarHBondContact O-CB 3.18Å; L92-T96 VanDerWaalsContact O-CG2 3.31Å; L92-T96 WeakPolarHBondContact O-CG2 3.37Å; L92-T96 PolarHBondContact O-N 2.97Å; L92-T96 PolarHBondContact O-OG1 2.92Å |
| 93 | A | 96.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 91.7 Ų | 91.7 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L89 I90 T96 S97 | L89-A93 VanDerWaalsContact O-CB 3.26Å; L89-A93 WeakPolarHBondContact O-CB 3.42Å; L89-A93 PolarHBondContact O-N 2.81Å; I90-A93 PolarHBondContact O-N 2.78Å; A93-T96 WeakPolarHBondContact CA-OG1 3.31Å; A93-T96 PolarHBondContact O-OG1 2.74Å; A93-S97 WeakPolarHBondContact O-CB 3.15Å; A93-S97 PolarHBondContact O-N 2.8Å |
| 94 | F | 97.3 | Very high | 92.4 | Very high | 126 Ų | 126 | 92.7 Ų | 92.7 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.8 | -43.3 | 176.9 | -170.4 | -107.9 | 0 | 0 | 0 | 112.2 | I90 T91 L92 S97 L98 | I90-F94 WeakPolarHBondContact O-CB 3.35Å; I90-F94 PolarHBondContact O-N 3.25Å; T91-F94 PolarHBondContact O-N 2.84Å; L92-F94 VanDerWaalsContact C-N 3.33Å; F94-S97 CarbonylContact O-C 3.59Å; F94-S97 PolarHBondContact O-N 3.3Å; F94-L98 HydrophobicContact CD1-CD1 3.71Å; F94-L98 HydrophobicContact CD1-CG 4.06Å; F94-L98 HydrophobicContact CE1-CD1 3.32Å; F94-L98 HydrophobicContact CE1-CD2 4.22Å; F94-L98 HydrophobicContact CE1-CG 3.8Å; F94-L98 HydrophobicContact CE2-CD2 4.42Å; F94-L98 HydrophobicContact CE2-CG 4.45Å; F94-L98 HydrophobicContact CZ-CD1 3.94Å; F94-L98 HydrophobicContact CZ-CD2 3.96Å; F94-L98 HydrophobicContact CZ-CG 4Å; F94-L98 WeakPolarHBondContact O-CB 3.07Å; F94-L98 VanDerWaalsContact O-CG 3.31Å; F94-L98 WeakPolarHBondContact O-CG 3.31Å; F94-L98 PolarHBondContact O-N 2.76Å |
| 95 | L | 95.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 177 | -73.3 | 171.5 | 0 | 0 | 0 | 111.6 | T91 L92 L98 L99 | T91-L95 WeakPolarHBondContact O-CB 3.28Å; T91-L95 WeakPolarHBondContact O-CG 3.35Å; T91-L95 PolarHBondContact O-N 3.37Å; L92-L95 PolarHBondContact O-N 3.29Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 VanDerWaalsContact O-CG 3.3Å; L95-L99 WeakPolarHBondContact O-CG 3.18Å; L95-L99 PolarHBondContact O-N 2.78Å |
| 96 | T | 95.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 91.4 Ų | 91.4 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 174.5 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | L92 A93 L99 L100 | L92-T96 WeakPolarHBondContact O-CB 3.18Å; L92-T96 VanDerWaalsContact O-CG2 3.31Å; L92-T96 WeakPolarHBondContact O-CG2 3.37Å; L92-T96 PolarHBondContact O-N 2.97Å; L92-T96 PolarHBondContact O-OG1 2.92Å; A93-T96 WeakPolarHBondContact CA-OG1 3.31Å; A93-T96 PolarHBondContact O-OG1 2.74Å; T96-L99 PolarHBondContact O-N 3.42Å; T96-L100 WeakPolarHBondContact O-CB 3.31Å; T96-L100 VanDerWaalsContact O-CG 3.31Å; T96-L100 WeakPolarHBondContact O-CG 3.42Å; T96-L100 PolarHBondContact O-N 3.45Å |
| 97 | S | 95.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 96.6 Ų | 96.6 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 173.7 | -174 | 0 | 0 | 0 | 0 | 112.3 | A93 F94 L100 L101 | A93-S97 WeakPolarHBondContact O-CB 3.15Å; A93-S97 PolarHBondContact O-N 2.8Å; F94-S97 CarbonylContact O-C 3.59Å; F94-S97 PolarHBondContact O-N 3.3Å; S97-L100 PolarHBondContact O-N 3.3Å; S97-L101 VanDerWaalsContact O-CB 3.31Å; S97-L101 WeakPolarHBondContact O-CB 3.31Å; S97-L101 WeakPolarHBondContact O-CG 3.4Å; S97-L101 PolarHBondContact O-N 2.94Å |
| 98 | L | 94.6 | Very high | 89.3 | Confident | 70 Ų | 70 | 97.5 Ų | 97.5 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 176.2 | -75.5 | -177.9 | 0 | 0 | 0 | 111.2 | F94 L95 L101 L102 | F94-L98 HydrophobicContact CD1-CD1 3.71Å; F94-L98 HydrophobicContact CD1-CG 4.06Å; F94-L98 HydrophobicContact CE1-CD1 3.32Å; F94-L98 HydrophobicContact CE1-CD2 4.22Å; F94-L98 HydrophobicContact CE1-CG 3.8Å; F94-L98 HydrophobicContact CE2-CD2 4.42Å; F94-L98 HydrophobicContact CE2-CG 4.45Å; F94-L98 HydrophobicContact CZ-CD1 3.94Å; F94-L98 HydrophobicContact CZ-CD2 3.96Å; F94-L98 HydrophobicContact CZ-CG 4Å; F94-L98 WeakPolarHBondContact O-CB 3.07Å; F94-L98 VanDerWaalsContact O-CG 3.31Å; F94-L98 WeakPolarHBondContact O-CG 3.31Å; F94-L98 PolarHBondContact O-N 2.76Å; L95-L98 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 2.77Å; L98-L102 VanDerWaalsContact O-CB 3.3Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 WeakPolarHBondContact O-CG 3.15Å; L98-L102 PolarHBondContact O-N 2.78Å |
| 99 | L | 93 | Very high | 87.8 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 174.8 | -73.1 | 171.5 | 0 | 0 | 0 | 111.5 | L95 T96 L102 M103 | L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 VanDerWaalsContact O-CG 3.3Å; L95-L99 WeakPolarHBondContact O-CG 3.18Å; L95-L99 PolarHBondContact O-N 2.78Å; T96-L99 PolarHBondContact O-N 3.42Å; L99-L102 PolarHBondContact O-N 3.49Å; L99-M103 VanDerWaalsContact O-CB 3.3Å; L99-M103 WeakPolarHBondContact O-CB 3.2Å; L99-M103 VanDerWaalsContact O-CG 3.26Å; L99-M103 WeakPolarHBondContact O-CG 3.14Å; L99-M103 PolarHBondContact O-N 3.4Å |
| 100 | L | 90.4 | Very high | 86.3 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 174.5 | -75.6 | 172.8 | 0 | 0 | 0 | 111.6 | T96 S97 M103 Y104 | T96-L100 WeakPolarHBondContact O-CB 3.31Å; T96-L100 VanDerWaalsContact O-CG 3.31Å; T96-L100 WeakPolarHBondContact O-CG 3.42Å; T96-L100 PolarHBondContact O-N 3.45Å; S97-L100 PolarHBondContact O-N 3.3Å; L100-M103 PolarHBondContact O-N 2.85Å; L100-Y104 WeakPolarHBondContact O-CA 3.3Å; L100-Y104 WeakPolarHBondContact O-CB 3.26Å; L100-Y104 PolarHBondContact O-N 3.45Å |
| 101 | L | 90.4 | Very high | 84.2 | Confident | 97 Ų | 97 | 102.1 Ų | 102.1 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -36.1 | 175.3 | -74.4 | 170.9 | 0 | 0 | 0 | 112 | S97 L98 K105 | S97-L101 VanDerWaalsContact O-CB 3.31Å; S97-L101 WeakPolarHBondContact O-CB 3.31Å; S97-L101 WeakPolarHBondContact O-CG 3.4Å; S97-L101 PolarHBondContact O-N 2.94Å; L98-L101 PolarHBondContact O-N 2.77Å; L101-K105 WeakPolarHBondContact O-CA 3.19Å; L101-K105 WeakPolarHBondContact O-CB 3.33Å; L101-K105 PolarHBondContact O-N 3.19Å |
| 102 | L | 90.3 | Very high | 82.2 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 174.4 | -76.6 | 169.6 | 0 | 0 | 0 | 111.4 | L98 L99 K105 A106 | L98-L102 VanDerWaalsContact O-CB 3.3Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 WeakPolarHBondContact O-CG 3.15Å; L98-L102 PolarHBondContact O-N 2.78Å; L99-L102 PolarHBondContact O-N 3.49Å; L102-K105 PolarHBondContact O-N 3.49Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.71Å |
| 103 | M | 84.6 | Confident | 80.1 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.3 | -40.2 | 174.4 | -72.8 | -72.1 | 95.5 | 0 | 0 | 111.5 | L99 L100 A106 M107 | L99-M103 VanDerWaalsContact O-CB 3.3Å; L99-M103 WeakPolarHBondContact O-CB 3.2Å; L99-M103 VanDerWaalsContact O-CG 3.26Å; L99-M103 WeakPolarHBondContact O-CG 3.14Å; L99-M103 PolarHBondContact O-N 3.4Å; L100-M103 PolarHBondContact O-N 2.85Å; M103-A106 HydrophobicContact CE-CB 4.23Å; M103-A106 PolarHBondContact O-N 2.95Å; M103-M107 WeakPolarHBondContact O-CB 3.47Å; M103-M107 WeakPolarHBondContact O-CG 3.44Å; M103-M107 PolarHBondContact O-N 3.37Å |
| 104 | Y | 84.4 | Confident | 77.9 | Confident | 136 Ų | 136 | 103 Ų | 103 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 171.6 | 178.6 | -89.9 | 0 | 0 | 0 | 109.5 | L100 M107 W108 | L100-Y104 WeakPolarHBondContact O-CA 3.3Å; L100-Y104 WeakPolarHBondContact O-CB 3.26Å; L100-Y104 PolarHBondContact O-N 3.45Å; Y104-M107 PolarHBondContact O-N 3.5Å; Y104-W108 AromaticContact CD1-CD1 3.74Å; Y104-W108 HydrophobicContact CD1-CG 4.38Å; Y104-W108 AromaticContact CD2-CD1 3.41Å; Y104-W108 VanDerWaalsContact CD2-CD1 3.41Å; Y104-W108 AromaticContact CD2-NE1 3.38Å; Y104-W108 AromaticContact CE1-CD1 3.62Å; Y104-W108 HydrophobicContact CE1-CG 4.06Å; Y104-W108 AromaticContact CE1-NE1 3.9Å; Y104-W108 AromaticContact CE2-CD1 3.33Å; Y104-W108 AromaticContact CE2-CE2 3.77Å; Y104-W108 HydrophobicContact CE2-CG 4.35Å; Y104-W108 HydrophobicContact CE2-CZ2 4.44Å; Y104-W108 AromaticContact CE2-NE1 2.89Å; Y104-W108 AromaticContact CG-CD1 3.62Å; Y104-W108 AromaticContact CZ-CD1 3.4Å; Y104-W108 VanDerWaalsContact CZ-CD1 3.4Å; Y104-W108 AromaticContact CZ-CE2 3.68Å; Y104-W108 AromaticContact CZ-NE1 3.16Å; Y104-W108 WeakPolarHBondContact O-CB 2.95Å; Y104-W108 PolarHBondContact O-N 2.85Å; Y104-W108 PolarHBondContact OH-NE1 2.72Å |
| 105 | K | 83.1 | Confident | 75.7 | Confident | 103 Ų | 103 | 100.8 Ų | 100.8 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 174.9 | -168.6 | -178.2 | 178 | 79.3 | 0 | 110.4 | L101 L102 M107 W108 Y109 | L101-K105 WeakPolarHBondContact O-CA 3.19Å; L101-K105 WeakPolarHBondContact O-CB 3.33Å; L101-K105 PolarHBondContact O-N 3.19Å; L102-K105 PolarHBondContact O-N 3.49Å; K105-M107 PolarHBondContact O-N 3.43Å; K105-W108 PolarHBondContact O-N 2.71Å; K105-Y109 HydrophobicContact CB-CD2 4.39Å; K105-Y109 HydrophobicContact CD-CD2 4.45Å; K105-Y109 HydrophobicContact CD-CE2 3.94Å; K105-Y109 VanDerWaalsContact CE-CE2 3.43Å; K105-Y109 VanDerWaalsContact CE-CZ 3.48Å; K105-Y109 WeakPolarHBondContact CE-OH 3.3Å; K105-Y109 HydrophobicContact CG-CD2 3.38Å; K105-Y109 HydrophobicContact CG-CE2 3.22Å; K105-Y109 HydrophobicContact CG-CG 4.38Å; K105-Y109 VanDerWaalsContact NZ-CE2 3.26Å; K105-Y109 VanDerWaalsContact NZ-CZ 3.26Å; K105-Y109 PolarHBondContact NZ-OH 2.75Å; K105-Y109 WeakPolarHBondContact O-CA 3.12Å; K105-Y109 WeakPolarHBondContact O-CB 3.21Å; K105-Y109 WeakPolarHBondContact O-CD2 3.21Å; K105-Y109 PolarHBondContact O-N 3.47Å |
| 106 | A | 77.9 | Confident | 73.5 | Confident | 45 Ų | 45 | 106 Ų | 106 | 37% | 0.372 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L102 M103 W108 Y109 D110 | L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.71Å; M103-A106 HydrophobicContact CE-CB 4.23Å; M103-A106 PolarHBondContact O-N 2.95Å; A106-W108 PolarHBondContact O-N 3.32Å; A106-Y109 PolarHBondContact O-N 2.79Å; A106-D110 WeakPolarHBondContact O-CB 3.3Å; A106-D110 PolarHBondContact O-N 3.34Å |
| 107 | M | 67.2 | Low | 71.5 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.7 | -33.7 | 179.5 | -67.1 | -124.3 | -68.3 | 0 | 0 | 113 | M103 Y104 K105 Q111 | M103-M107 WeakPolarHBondContact O-CB 3.47Å; M103-M107 WeakPolarHBondContact O-CG 3.44Å; M103-M107 PolarHBondContact O-N 3.37Å; Y104-M107 PolarHBondContact O-N 3.5Å; K105-M107 PolarHBondContact O-N 3.43Å; M107-Q111 WeakPolarHBondContact O-CB 3.46Å; M107-Q111 WeakPolarHBondContact O-CG 3.42Å; M107-Q111 PolarHBondContact O-N 2.96Å |
| 108 | W | 66.3 | Low | 69.5 | Low | 128 Ų | 128 | 105.9 Ų | 105.9 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.3 | -33.1 | 173.5 | -82.8 | 84.5 | 0 | 0 | 0 | 112.3 | Y104 K105 A106 D110 L112 | Y104-W108 AromaticContact CD1-CD1 3.74Å; Y104-W108 HydrophobicContact CD1-CG 4.38Å; Y104-W108 AromaticContact CD2-CD1 3.41Å; Y104-W108 VanDerWaalsContact CD2-CD1 3.41Å; Y104-W108 AromaticContact CD2-NE1 3.38Å; Y104-W108 AromaticContact CE1-CD1 3.62Å; Y104-W108 HydrophobicContact CE1-CG 4.06Å; Y104-W108 AromaticContact CE1-NE1 3.9Å; Y104-W108 AromaticContact CE2-CD1 3.33Å; Y104-W108 AromaticContact CE2-CE2 3.77Å; Y104-W108 HydrophobicContact CE2-CG 4.35Å; Y104-W108 HydrophobicContact CE2-CZ2 4.44Å; Y104-W108 AromaticContact CE2-NE1 2.89Å; Y104-W108 AromaticContact CG-CD1 3.62Å; Y104-W108 AromaticContact CZ-CD1 3.4Å; Y104-W108 VanDerWaalsContact CZ-CD1 3.4Å; Y104-W108 AromaticContact CZ-CE2 3.68Å; Y104-W108 AromaticContact CZ-NE1 3.16Å; Y104-W108 WeakPolarHBondContact O-CB 2.95Å; Y104-W108 PolarHBondContact O-N 2.85Å; Y104-W108 PolarHBondContact OH-NE1 2.72Å; K105-W108 PolarHBondContact O-N 2.71Å; A106-W108 PolarHBondContact O-N 3.32Å; W108-D110 VanDerWaalsContact C-N 3.33Å; W108-L112 HydrophobicContact CE3-CD1 3.5Å; W108-L112 HydrophobicContact CZ3-CD1 3.98Å; W108-L112 WeakPolarHBondContact O-CD1 3.25Å; W108-L112 PolarHBondContact O-N 2.77Å |
| 109 | Y | 60.1 | Low | 67.6 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 170.9 | -87.7 | -112.7 | 0 | 0 | 0 | 110.3 | K105 A106 T113 | K105-Y109 HydrophobicContact CB-CD2 4.39Å; K105-Y109 HydrophobicContact CD-CD2 4.45Å; K105-Y109 HydrophobicContact CD-CE2 3.94Å; K105-Y109 VanDerWaalsContact CE-CE2 3.43Å; K105-Y109 VanDerWaalsContact CE-CZ 3.48Å; K105-Y109 WeakPolarHBondContact CE-OH 3.3Å; K105-Y109 HydrophobicContact CG-CD2 3.38Å; K105-Y109 HydrophobicContact CG-CE2 3.22Å; K105-Y109 HydrophobicContact CG-CG 4.38Å; K105-Y109 VanDerWaalsContact NZ-CE2 3.26Å; K105-Y109 VanDerWaalsContact NZ-CZ 3.26Å; K105-Y109 PolarHBondContact NZ-OH 2.75Å; K105-Y109 WeakPolarHBondContact O-CA 3.12Å; K105-Y109 WeakPolarHBondContact O-CB 3.21Å; K105-Y109 WeakPolarHBondContact O-CD2 3.21Å; K105-Y109 PolarHBondContact O-N 3.47Å; A106-Y109 PolarHBondContact O-N 2.79Å; Y109-T113 WeakPolarHBondContact O-CA 3.14Å; Y109-T113 WeakPolarHBondContact O-CB 3.4Å; Y109-T113 PolarHBondContact O-N 2.9Å; Y109-T113 PolarHBondContact O-OG1 3.12Å |
| 110 | D | 63.3 | Low | 65.8 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 65% | 0.647 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.7 | -32.3 | 179.5 | -157.4 | 45.7 | 0 | 0 | 0 | 111.9 | A106 W108 | A106-D110 WeakPolarHBondContact O-CB 3.3Å; A106-D110 PolarHBondContact O-N 3.34Å; W108-D110 VanDerWaalsContact C-N 3.33Å |
| 111 | Q | 52.1 | Low | 63.9 | Low | 151 Ų | 151 | 109.1 Ų | 109.1 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76 | -24.8 | 173.7 | -83 | -154 | 33.3 | 0 | 0 | 115 | M107 | M107-Q111 WeakPolarHBondContact O-CB 3.46Å; M107-Q111 WeakPolarHBondContact O-CG 3.42Å; M107-Q111 PolarHBondContact O-N 2.96Å |
| 112 | L | 52.9 | Low | 62.3 | Low | 130 Ų | 130 | 113.1 Ų | 113.1 | 68% | 0.681 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -108.8 | -11.8 | -178.4 | -79 | 124.7 | 0 | 0 | 0 | 114.4 | W108 | W108-L112 HydrophobicContact CE3-CD1 3.5Å; W108-L112 HydrophobicContact CZ3-CD1 3.98Å; W108-L112 WeakPolarHBondContact O-CD1 3.25Å; W108-L112 PolarHBondContact O-N 2.77Å |
| 113 | T | 50.6 | Low | 60.6 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | trans | -125.6 | 74.5 | -177.9 | -35.3 | 0 | 0 | 0 | 0 | 109 | Y109 | Y109-T113 WeakPolarHBondContact O-CA 3.14Å; Y109-T113 WeakPolarHBondContact O-CB 3.4Å; Y109-T113 PolarHBondContact O-N 2.9Å; Y109-T113 PolarHBondContact O-OG1 3.12Å | ||
| 114 | C | 50.6 | Low | 59.3 | Low | 29 Ų | 29 | 118.9 Ų | 118.9 | 20% | 0.196 | 59% | 0.587 | C | S | . | * | trans | -61.9 | 127.3 | 153 | -56.4 | 0 | 0 | 0 | 0 | 105.7 | F118 C125 | C114-F118 HydrophobicContact CB-CB 3.5Å; C114-C125 HydrophobicContact CB-CB 4.12Å; C114-C125 WeakPolarHBondContact CB-SG 3.25Å; C114-C125 WeakPolarHBondContact SG-CB 3.11Å; C114-C125 CovalentContact SG-SG 2.08Å; C114-C125 PolarHBondContact SG-SG 3.44Å | ||
| 115 | P | 52.5 | Low | 58 | Low | 79 Ų | 79 | 115.1 Ų | 115.1 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | trans | -59.7 | 149.6 | -174.8 | 23.1 | -32.4 | 0 | 0 | 0 | 110.7 | G117 F118 | P115-G117 PolarHBondContact O-N 3.25Å; P115-F118 HydrophobicContact CG-CD2 4.04Å; P115-F118 HydrophobicContact CG-CE2 4.18Å; P115-F118 WeakPolarHBondContact O-CD2 3.15Å; P115-F118 PolarHBondContact O-N 2.08Å | ||
| 116 | E | 48.6 | Very low | 56.5 | Low | 206 Ų | 206 | 112.3 Ų | 112.3 | 96% | 0.963 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.1 | 98.2 | -176.2 | -152.9 | 84.1 | -161.7 | 0 | 0 | 112.1 | ||
| 117 | G | 53.8 | Low | 55.2 | Low | 49 Ų | 49 | 112.7 Ų | 112.7 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 118.4 | 21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | P115 A128 | P115-G117 PolarHBondContact O-N 3.25Å; G117-A128 WeakPolarHBondContact O-CB 3.43Å; G117-A128 PolarHBondContact O-N 3.35Å |
| 118 | F | 53.3 | Low | 54.5 | Low | 79 Ų | 79 | 108.5 Ų | 108.5 | 35% | 0.346 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.2 | 177.1 | -77.9 | -114.3 | 0 | 0 | 0 | 110.5 | C114 P115 C125 T126 P127 | C114-F118 HydrophobicContact CB-CB 3.5Å; P115-F118 HydrophobicContact CG-CD2 4.04Å; P115-F118 HydrophobicContact CG-CE2 4.18Å; P115-F118 WeakPolarHBondContact O-CD2 3.15Å; P115-F118 PolarHBondContact O-N 2.08Å; F118-C125 HydrophobicContact CD1-CB 4.28Å; F118-T126 WeakPolarHBondContact CD1-O 2.93Å; F118-P127 HydrophobicContact CD1-CB 4.08Å; F118-P127 HydrophobicContact CE1-CB 3.4Å; F118-P127 VanDerWaalsContact CE1-CB 3.4Å; F118-P127 VanDerWaalsContact CE1-CD 3.48Å; F118-P127 HydrophobicContact CE1-CG 3.95Å; F118-P127 HydrophobicContact CE2-CB 4.2Å; F118-P127 HydrophobicContact CZ-CB 3.46Å; F118-P127 VanDerWaalsContact CZ-CB 3.46Å; F118-P127 HydrophobicContact CZ-CG 4.32Å |
| 119 | V | 54.8 | Low | 53.9 | Low | 103 Ų | 103 | 106.6 Ų | 106.6 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.1 | -176.7 | -168.1 | 0 | 0 | 0 | 0 | 109.5 | K121 A128 | V119-K121 PolarHBondContact O-N 2.77Å; V119-A128 HydrophobicContact CG2-CB 4.47Å |
| 120 | L | 54 | Low | 53.5 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 102.7 | -177.3 | -175.5 | 72.2 | 0 | 0 | 0 | 111 | ||
| 121 | K | 52 | Low | 53 | Low | 159 Ų | 159 | 102.2 Ų | 102.2 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.5 | 163.6 | -101.9 | -162.7 | 173.1 | -179.4 | 0 | 110.8 | V119 K123 | V119-K121 PolarHBondContact O-N 2.77Å; K121-K123 PolarHBondContact O-N 3.04Å |
| 122 | Q | 55.3 | Low | 53 | Low | 182 Ų | 182 | 102.4 Ų | 102.4 | 85% | 0.85 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.4 | 45.4 | 175.3 | -79.7 | 176.6 | -37 | 0 | 0 | 116 | H124 | Q122-H124 PolarHBondContact O-CD2 3.3Å; Q122-H124 PolarHBondContact O-N 3.41Å; Q122-H124 VanDerWaalsContact O-N 3.12Å |
| 123 | K | 55.9 | Low | 52.8 | Low | 196 Ų | 196 | 105.4 Ų | 105.4 | 85% | 0.852 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.8 | 15.7 | 171.4 | -56.7 | -171.7 | 178.4 | 174.1 | 0 | 116.1 | K121 | K121-K123 PolarHBondContact O-N 3.04Š|
| 124 | H | 56.1 | Low | 52.7 | Low | 146 Ų | 146 | 108.1 Ų | 108.1 | 68% | 0.676 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.9 | 167.2 | -63 | -69.7 | 0 | 0 | 0 | 108.8 | Q122 | Q122-H124 PolarHBondContact O-CD2 3.3Å; Q122-H124 PolarHBondContact O-N 3.41Å; Q122-H124 VanDerWaalsContact O-N 3.12Å |
| 125 | C | 57.9 | Low | 52.9 | Low | 58 Ų | 58 | 109.8 Ų | 109.8 | 39% | 0.392 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 123.4 | 174.1 | -67.9 | 0 | 0 | 0 | 0 | 109 | C114 F118 | C114-C125 HydrophobicContact CB-CB 4.12Å; C114-C125 WeakPolarHBondContact CB-SG 3.25Å; C114-C125 WeakPolarHBondContact SG-CB 3.11Å; C114-C125 CovalentContact SG-SG 2.08Å; C114-C125 PolarHBondContact SG-SG 3.44Å; F118-C125 HydrophobicContact CD1-CB 4.28Å |
| 126 | T | 51.8 | Low | 52.8 | Low | 44 Ų | 44 | 112.7 Ų | 112.7 | 27% | 0.27 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.9 | 178 | -40.7 | 0 | 0 | 0 | 0 | 110 | F118 A128 | F118-T126 WeakPolarHBondContact CD1-O 2.93Å; T126-A128 PolarHBondContact O-N 2.85Å |
| 127 | P | 49.5 | Very low | 52.9 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 34% | 0.344 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.8 | 128.5 | -176.9 | 20.5 | -28.5 | 0 | 0 | 0 | 111.7 | F118 A129 L130 | F118-P127 HydrophobicContact CD1-CB 4.08Å; F118-P127 HydrophobicContact CE1-CB 3.4Å; F118-P127 VanDerWaalsContact CE1-CB 3.4Å; F118-P127 VanDerWaalsContact CE1-CD 3.48Å; F118-P127 HydrophobicContact CE1-CG 3.95Å; F118-P127 HydrophobicContact CE2-CB 4.2Å; F118-P127 HydrophobicContact CZ-CB 3.46Å; F118-P127 VanDerWaalsContact CZ-CB 3.46Å; F118-P127 HydrophobicContact CZ-CG 4.32Å; P127-A129 PolarHBondContact O-N 3.4Å; P127-L130 HydrophobicContact CG-CB 4.34Å; P127-L130 PolarHBondContact O-N 3.45Å |
| 128 | A | 53.7 | Low | 52.6 | Low | 42 Ų | 42 | 113.8 Ų | 113.8 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.7 | -13.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G117 V119 T126 | G117-A128 WeakPolarHBondContact O-CB 3.43Å; G117-A128 PolarHBondContact O-N 3.35Å; V119-A128 HydrophobicContact CG2-CB 4.47Å; T126-A128 PolarHBondContact O-N 2.85Å |
| 129 | A | 53.1 | Low | 52.2 | Low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.6 | -21.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | P127 | P127-A129 PolarHBondContact O-N 3.4Å |
| 130 | L | 52.6 | Low | 51.6 | Low | 87 Ų | 87 | 121 Ų | 121 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -91.9 | -27.6 | -176.2 | -165.4 | 68 | 0 | 0 | 0 | 113 | P127 M132 Y133 Y134 | P127-L130 HydrophobicContact CG-CB 4.34Å; P127-L130 PolarHBondContact O-N 3.45Å; L130-M132 VanDerWaalsContact C-N 3.35Å; L130-M132 PolarHBondContact O-N 3.27Å; L130-Y133 PolarHBondContact O-N 3.39Å; L130-Y134 HydrophobicContact CD1-CD2 4.13Å; L130-Y134 HydrophobicContact CD1-CE2 4.35Å; L130-Y134 HydrophobicContact CG-CD2 4.1Å; L130-Y134 PolarHBondContact O-N 2.61Å |
| 131 | E | 52.9 | Low | 50.8 | Low | 74 Ų | 74 | 122.9 Ų | 122.9 | 35% | 0.346 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.6 | -31.9 | -177.5 | -72.7 | -77.7 | 125.2 | 0 | 0 | 112.8 | Y133 T135 | E131-Y133 VanDerWaalsContact C-N 3.3Å; E131-Y133 PolarHBondContact O-N 3.47Å; E131-T135 VanDerWaalsContact O-CB 3.28Å; E131-T135 WeakPolarHBondContact O-CB 3.32Å; E131-T135 VanDerWaalsContact O-CG2 3.26Å; E131-T135 WeakPolarHBondContact O-CG2 3.26Å; E131-T135 PolarHBondContact O-N 2.93Å; E131-T135 PolarHBondContact O-OG1 3.41Å |
| 132 | M | 51.9 | Low | 50.4 | Low | 154 Ų | 154 | 118.2 Ų | 118.2 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.4 | -26.9 | 177.1 | -71.6 | -97.9 | -79.5 | 0 | 0 | 113.3 | L130 | L130-M132 VanDerWaalsContact C-N 3.35Å; L130-M132 PolarHBondContact O-N 3.27Å |
| 133 | Y | 47.8 | Very low | 49.3 | Very low | 194 Ų | 194 | 118.7 Ų | 118.7 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -92.1 | -27.9 | 179.4 | -99.2 | -91 | 0 | 0 | 0 | 113.3 | L130 E131 | L130-Y133 PolarHBondContact O-N 3.39Å; E131-Y133 VanDerWaalsContact C-N 3.3Å; E131-Y133 PolarHBondContact O-N 3.47Å |
| 134 | Y | 48.9 | Very low | 48.2 | Very low | 140 Ų | 140 | 117.9 Ų | 117.9 | 55% | 0.549 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -91.3 | -34.1 | 179.3 | -101.1 | -91.9 | 0 | 0 | 0 | 113.6 | L130 Q137 Q138 | L130-Y134 HydrophobicContact CD1-CD2 4.13Å; L130-Y134 HydrophobicContact CD1-CE2 4.35Å; L130-Y134 HydrophobicContact CG-CD2 4.1Å; L130-Y134 PolarHBondContact O-N 2.61Å; Y134-Q137 PolarHBondContact O-N 2.98Å; Y134-Q138 PolarHBondContact O-N 2.98Å; Y134-Q138 VanDerWaalsContact O-N 3.14Å |
| 135 | T | 54.2 | Low | 47.7 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 39% | 0.387 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.4 | -30.4 | -178.9 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | E131 Q137 Q138 Q139 | E131-T135 VanDerWaalsContact O-CB 3.28Å; E131-T135 WeakPolarHBondContact O-CB 3.32Å; E131-T135 VanDerWaalsContact O-CG2 3.26Å; E131-T135 WeakPolarHBondContact O-CG2 3.26Å; E131-T135 PolarHBondContact O-N 2.93Å; E131-T135 PolarHBondContact O-OG1 3.41Å; T135-Q137 PolarHBondContact O-N 2.99Å; T135-Q138 PolarHBondContact O-N 3.4Å; T135-Q139 WeakPolarHBondContact O-CB 3.28Å; T135-Q139 PolarHBondContact O-N 3.17Å |
| 136 | E | 51.2 | Low | 46.5 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -36.4 | 172.7 | -133.2 | -115.9 | 110 | 0 | 0 | 111 | ||
| 137 | Q | 49.3 | Very low | 46 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.9 | -31.3 | 178.4 | -150.8 | 172.5 | 9 | 0 | 0 | 112.6 | Y134 T135 | Y134-Q137 PolarHBondContact O-N 2.98Å; T135-Q137 PolarHBondContact O-N 2.99Å |
| 138 | Q | 47.9 | Very low | 45.5 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -90.3 | -23.1 | -176.5 | -164.9 | 163.9 | -17.4 | 0 | 0 | 113.9 | Y134 T135 Q140 D141 | Y134-Q138 PolarHBondContact O-N 2.98Å; Y134-Q138 VanDerWaalsContact O-N 3.14Å; T135-Q138 PolarHBondContact O-N 3.4Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 3.14Å; Q138-D141 PolarHBondContact O-N 3.32Å |
| 139 | Q | 44.7 | Very low | 44.6 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.2 | -20.4 | 176.7 | -164.6 | 80.1 | 4 | 0 | 0 | 112.3 | T135 | T135-Q139 WeakPolarHBondContact O-CB 3.28Å; T135-Q139 PolarHBondContact O-N 3.17Å |
| 140 | Q | 43.2 | Very low | 44.6 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -81.6 | -20.3 | 176 | -120.7 | 169.2 | 15.9 | 0 | 0 | 113.5 | Q138 G142 | Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 3.14Å; Q140-G142 VanDerWaalsContact C-N 3.3Å; Q140-G142 PolarHBondContact O-N 3.27Å |
| 141 | D | 37.6 | Very low | 44.5 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -97.1 | 38.3 | 178.4 | -79.4 | -42.2 | 0 | 0 | 0 | 112.2 | Q138 | Q138-D141 PolarHBondContact O-N 3.32Š|
| 142 | G | 42.2 | Very low | 44.5 | Very low | 61 Ų | 61 | 131.1 Ų | 131.1 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | trans | -114.8 | 43.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q140 | Q140-G142 VanDerWaalsContact C-N 3.3Å; Q140-G142 PolarHBondContact O-N 3.27Å | ||
| 143 | E | 33.1 | Very low | 44.7 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -148.3 | 129.5 | 159.9 | -155.5 | 121.3 | 79.3 | 0 | 0 | 110 | ||
| 144 | E | 32.3 | Very low | 45.1 | Very low | 178 Ų | 178 | 122.6 Ų | 122.6 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -48.9 | -179.5 | -176.5 | -81.6 | -137.1 | 111.4 | 0 | 0 | 117 | ||||
| 145 | P | 45 | Very low | 45.5 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | cis | -129.9 | 147.3 | -39.1 | 31.8 | -14.8 | 0 | 0 | 0 | 111.5 | ||||
| 146 | G | 33.6 | Very low | 45.5 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 90.2 | 128.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 147 | A | 42.1 | Very low | 45.9 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 67.4 | 117.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 148 | R | 37.9 | Very low | 46.2 | Very low | 248 Ų | 248 | 122.4 Ų | 122.4 | 94% | 0.936 | 73% | 0.733 | S | S | * | * | trans | 101.3 | 117 | 144.9 | -62.5 | 172.7 | 171 | 165.5 | -1.4 | 118.6 | ||||
| 149 | G | 35.2 | Very low | 46.7 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 83.4 | 93.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 150 | S | 53.7 | Low | 47.3 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | 43.6 | 73 | 57.3 | -160.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 151 | A | 50.5 | Low | 47.9 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | trans | -154.2 | 1.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 152 | G | 52.9 | Low | 48.7 | Very low | 59 Ų | 59 | 115.8 Ų | 115.8 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -106.6 | -20.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G154 | G152-G154 PolarHBondContact O-N 3.37Š|
| 153 | T | 54.9 | Low | 49.3 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -6 | -168.7 | -5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 154 | G | 56.1 | Low | 50.4 | Low | 51 Ų | 51 | 116.6 Ų | 116.6 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -80.3 | -21.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G152 A158 | G152-G154 PolarHBondContact O-N 3.37Å; G154-A158 PolarHBondContact O-N 3Å |
| 155 | L | 57 | Low | 51.2 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.9 | -35.3 | -175.4 | -62.3 | 177.3 | 0 | 0 | 0 | 112.3 | A158 L159 | L155-A158 PolarHBondContact O-N 3.32Å; L155-L159 PolarHBondContact O-N 3.09Å |
| 156 | Y | 54.9 | Low | 51.3 | Low | 209 Ų | 209 | 117.7 Ų | 117.7 | 82% | 0.82 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70.6 | -31.1 | 175.1 | -90 | -90 | 0 | 0 | 0 | 112.9 | ||
| 157 | A | 60.3 | Low | 52.1 | Low | 72 Ų | 72 | 124.4 Ų | 124.4 | 60% | 0.595 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -73.1 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 158 | A | 55 | Low | 52.3 | Low | 58 Ų | 58 | 126.6 Ų | 126.6 | 48% | 0.479 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -73.9 | -29.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G154 L155 S160 H161 | G154-A158 PolarHBondContact O-N 3Å; L155-A158 PolarHBondContact O-N 3.32Å; A158-S160 PolarHBondContact O-N 3.46Å; A158-H161 PolarHBondContact O-N 3.32Å |
| 159 | L | 58.4 | Low | 52.3 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -19.6 | 177.9 | -81.8 | 153.9 | 0 | 0 | 0 | 113.5 | L155 | L155-L159 PolarHBondContact O-N 3.09Š|
| 160 | S | 57.4 | Low | 52.6 | Low | 91 Ų | 91 | 121.7 Ų | 121.7 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -33.4 | 177.3 | 164.2 | 0 | 0 | 0 | 0 | 113.2 | A158 | A158-S160 PolarHBondContact O-N 3.46Š|
| 161 | H | 55 | Low | 51.9 | Low | 142 Ų | 142 | 119.3 Ų | 119.3 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -18.3 | -173.9 | -158.3 | -91.4 | 0 | 0 | 0 | 113.7 | A158 N163 | A158-H161 PolarHBondContact O-N 3.32Å; H161-N163 VanDerWaalsContact C-N 3.32Å; H161-N163 PolarHBondContact O-N 3.26Å |
| 162 | L | 55.7 | Low | 51.5 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -73.6 | -20.9 | 177.3 | -90.9 | 113.7 | 0 | 0 | 0 | 113.6 | Q164 | L162-Q164 VanDerWaalsContact C-N 3.33Š|
| 163 | N | 54.9 | Low | 51.1 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -78 | -19 | -179 | -152.2 | -10.2 | 0 | 0 | 0 | 112.8 | H161 | H161-N163 VanDerWaalsContact C-N 3.32Å; H161-N163 PolarHBondContact O-N 3.26Å |
| 164 | Q | 55.2 | Low | 50.5 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -83.5 | -14.1 | -178.8 | -64.7 | -75 | 28.8 | 0 | 0 | 113.8 | L162 | L162-Q164 VanDerWaalsContact C-N 3.33Š|
| 165 | V | 48.8 | Very low | 49.8 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -92.9 | -8.1 | -179.3 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 166 | K | 47.4 | Very low | 49.2 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -104.8 | 51.8 | -179.7 | -157.5 | 173 | 179.8 | -170.1 | 0 | 112.5 | ||||
| 167 | R | 51.8 | Low | 48.6 | Very low | 215 Ų | 215 | 134.7 Ų | 134.7 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -121.7 | 42.7 | 174.8 | -91.8 | -105.4 | -172.9 | 105.2 | -1.3 | 112.3 | ||||
| 168 | T | 44.4 | Very low | 47.6 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -128.4 | 104.3 | 163.8 | 35.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 169 | G | 37.8 | Very low | 46.8 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 154.9 | 123.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 170 | P | 43.5 | Very low | 46.2 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -86 | 151.4 | -158.5 | 35 | -34.6 | 0 | 0 | 0 | 113.2 | ||||
| 171 | G | 38.4 | Very low | 45.4 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 123.7 | 64.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 172 | L | 41.6 | Very low | 44.7 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 27.9 | 103.8 | 147.1 | -73.3 | 155.9 | 0 | 0 | 0 | 119.6 | S174 | L172-S174 PolarHBondContact O-N 3.49Š| ||
| 173 | M | 44.1 | Very low | 44 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -50.4 | 124.5 | 142.5 | -55.4 | -166.8 | 74.7 | 0 | 0 | 110.7 | ||||
| 174 | S | 42.3 | Very low | 43.3 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -171.3 | 82.3 | 158.8 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | L172 | L172-S174 PolarHBondContact O-N 3.49Š| ||
| 175 | Q | 41.7 | Very low | 42.4 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -121 | 0.3 | 173 | -163.7 | 163.2 | 27 | 0 | 0 | 114.1 | ||
| 176 | W | 45.5 | Very low | 41.7 | Very low | 240 Ų | 240 | 155.1 Ų | 155.1 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -144.7 | 81.1 | 179.6 | -59.8 | 97.4 | 0 | 0 | 0 | 111.8 | ||||
| 177 | L | 41.4 | Very low | 41.2 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -134.1 | 146.3 | 156.7 | -85.7 | 128.6 | 0 | 0 | 0 | 107.3 | V179 | L177-V179 PolarHBondContact O-N 3.48Š|
| 178 | P | 40.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -64.9 | 131.2 | -175.7 | 26.8 | -31.7 | 0 | 0 | 0 | 110.1 | I180 | P178-I180 PolarHBondContact O-N 3.49Š| ||
| 179 | V | 38.4 | Very low | 39.9 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -59.9 | 102.1 | 177.6 | 174 | 0 | 0 | 0 | 0 | 109.4 | L177 R181 | L177-V179 PolarHBondContact O-N 3.48Å; V179-R181 HydrophobicContact CG1-CG 4.16Å; V179-R181 PolarHBondContact O-N 3.34Å | ||
| 180 | I | 45.5 | Very low | 39.6 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 107.9 | 157 | -60.1 | 172.8 | 0 | 0 | 0 | 105.1 | P178 Q182 | P178-I180 PolarHBondContact O-N 3.49Å; I180-Q182 PolarHBondContact O-N 3.47Å; I180-Q182 VanDerWaalsContact O-N 3.09Å | ||
| 181 | R | 39.1 | Very low | 39.1 | Very low | 210 Ų | 210 | 155.9 Ų | 155.9 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 105.9 | 169.8 | -75 | -172.5 | -169 | -172.8 | 3.2 | 108.4 | V179 | V179-R181 HydrophobicContact CG1-CG 4.16Å; V179-R181 PolarHBondContact O-N 3.34Å | ||
| 182 | Q | 40.8 | Very low | 38.9 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -95.4 | 117.3 | 146.7 | -82.8 | 175.8 | -25.4 | 0 | 0 | 106.2 | I180 | I180-Q182 PolarHBondContact O-N 3.47Å; I180-Q182 VanDerWaalsContact O-N 3.09Å | ||
| 183 | E | 42.2 | Very low | 38.9 | Very low | 173 Ų | 173 | 158.4 Ų | 158.4 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 132.6 | 166.6 | -61.7 | -148.8 | 132.4 | 0 | 0 | 108.8 | ||||
| 184 | P | 39.9 | Very low | 38.2 | Very low | 110 Ų | 110 | 157.2 Ų | 157.2 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -109.2 | 150.3 | 164.2 | 36.9 | -26.3 | 0 | 0 | 0 | 111.8 | ||||
| 185 | E | 34.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 159.6 Ų | 159.6 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 84.8 | 110.4 | 154.4 | -54.8 | -125.2 | 118.8 | 0 | 0 | 118.3 | ||||
| 186 | E | 35.9 | Very low | 37.2 | Very low | 182 Ų | 182 | 158.8 Ų | 158.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | -160.7 | 122.2 | 99.7 | -103.2 | -172.4 | 154.4 | 0 | 0 | 110.5 | K188 | E186-K188 PolarHBondContact O-N 3.48Š| |||
| 187 | A | 36.2 | Very low | 36.7 | Very low | 99 Ų | 99 | 154.7 Ų | 154.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -66.2 | 115.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 188 | K | 37.6 | Very low | 36.8 | Very low | 195 Ų | 195 | 156.6 Ų | 156.6 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -106.5 | 94.7 | 154.5 | -86.6 | -176.1 | 178 | 176.3 | 0 | 108.9 | E186 | E186-K188 PolarHBondContact O-N 3.48Š| ||
| 189 | E | 31.6 | Very low | 36.7 | Very low | 196 Ų | 196 | 160.2 Ų | 160.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -21.7 | 120.9 | 151.4 | -172.7 | 179.5 | 125.7 | 0 | 0 | 113.6 | ||||
| 190 | N | 30.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 129.7 | 154.4 | -156.4 | -7.5 | 0 | 0 | 0 | 108.1 | ||||
| 191 | T | 33.5 | Very low | 36.4 | Very low | 128 Ų | 128 | 159.2 Ų | 159.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | 133.7 | 90.7 | 154.6 | -47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 192 | E | 35.2 | Very low | 36.4 | Very low | 178 Ų | 178 | 160.4 Ų | 160.4 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -60.9 | 169 | 149 | -65.4 | -168.5 | 100.1 | 0 | 0 | 110.4 | ||||
| 193 | P | 41.3 | Very low | 36.2 | Very low | 113 Ų | 113 | 159.4 Ų | 159.4 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | cis | -144.2 | 175.7 | 17.9 | 41.1 | -20.5 | 0 | 0 | 0 | 117.6 | ||||
| 194 | L | 28.8 | Very low | 35.9 | Very low | 150 Ų | 150 | 158.7 Ų | 158.7 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | 97.6 | 132.9 | 135.5 | -155 | 70.1 | 0 | 0 | 0 | 120.5 | ||||
| 195 | K | 31.8 | Very low | 35.6 | Very low | 155 Ų | 155 | 161.4 Ų | 161.4 | 67% | 0.674 | 84% | 0.837 | S | S | * | * | trans | 97 | 107.5 | 157.1 | -92.2 | 165.4 | 178.6 | -161.7 | 0 | 117.2 | ||||
| 196 | E | 30.8 | Very low | 35.7 | Very low | 149 Ų | 149 | 160.4 Ų | 160.4 | 70% | 0.696 | 84% | 0.837 | S | S | * | * | 66.4 | 112.6 | 98.7 | -76.1 | -177.2 | 143.3 | 0 | 0 | 108.3 | |||||
| 197 | D | 36.4 | Very low | 35.7 | Very low | 153 Ų | 153 | 159 Ų | 159 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | -156.2 | 157 | 54 | -73.5 | -62.2 | 0 | 0 | 0 | 112.7 | |||||
| 198 | M | 42.5 | Very low | 35.6 | Very low | 187 Ų | 187 | 163 Ų | 163 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -99.4 | 114.2 | -177.8 | 178.1 | -177.1 | 175.1 | 0 | 0 | 108.4 | ||||
| 199 | E | 38.1 | Very low | 35.5 | Very low | 194 Ų | 194 | 160.7 Ų | 160.7 | 91% | 0.907 | 84% | 0.837 | S | S | * | * | trans | -145.6 | 114.3 | 161.6 | -109.1 | 172.1 | 140.3 | 0 | 0 | 109 | ||||
| 200 | G | 36.8 | Very low | 35.8 | Very low | 64 Ų | 64 | 158 Ų | 158 | 66% | 0.66 | 83% | 0.831 | S | S | * | * | trans | -80 | 172.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 201 | E | 40.4 | Very low | 36.3 | Very low | 196 Ų | 196 | 158.5 Ų | 158.5 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | -173.8 | 154.3 | 114.3 | -133.3 | 148.7 | 88.6 | 0 | 0 | 108.8 | |||||
| 202 | D | 39.6 | Very low | 36.5 | Very low | 235 Ų | 235 | 161.3 Ų | 161.3 | 100% | 1.257 | 84% | 0.836 | S | S | * | * | trans | -58.6 | 0 | 176.8 | -62.6 | -88.2 | 0 | 0 | 0 | 115.3 |
Retrieved 202 of 202 residues in 73.4 ms
(Link to these results)