| 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 | 37.2 | Very low | 44.4 | Very low | 236 Ų | 236 | 157.5 Ų | 157.5 | 100% | 1.163 | 84% | 0.838 | S | S | * | * | 0 | 139.2 | 0 | -77.2 | 166.8 | 166.7 | 0 | 0 | 107.6 | |||||
| 2 | I | 40.8 | Very low | 44 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 76% | 0.759 | 84% | 0.839 | S | S | * | * | trans | 40.9 | 109.7 | 162.6 | -46 | 175.7 | 0 | 0 | 0 | 117.2 | T4 | I2-T4 HydrophobicContact CG2-CG2 4.32Š| ||
| 3 | N | 42.2 | Very low | 44.2 | Very low | 169 Ų | 169 | 160.7 Ų | 160.7 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -132.8 | 111.9 | 140.5 | -96.6 | -16.4 | 0 | 0 | 0 | 106.2 | ||||
| 4 | T | 47.6 | Very low | 43.9 | Very low | 114 Ų | 114 | 161.5 Ų | 161.5 | 70% | 0.699 | 84% | 0.835 | S | S | * | * | trans | -75.5 | 120.3 | 170.8 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | I2 | I2-T4 HydrophobicContact CG2-CG2 4.32Š| ||
| 5 | E | 45.7 | Very low | 43.9 | Very low | 179 Ų | 179 | 162.5 Ų | 162.5 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | 57.6 | 101.8 | 87.3 | -67.3 | -172 | 155.5 | 0 | 0 | 112.9 | |||||
| 6 | Q | 48.3 | Very low | 43.5 | Very low | 199 Ų | 199 | 162.7 Ų | 162.7 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -120.3 | 143.8 | 148.3 | -109 | -173.6 | -4 | 0 | 0 | 108 | ||||
| 7 | T | 37.9 | Very low | 43.1 | Very low | 128 Ų | 128 | 161.4 Ų | 161.4 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -101 | 143.6 | -157.8 | 19 | 0 | 0 | 0 | 0 | 114 | ||||
| 8 | F | 44.5 | Very low | 43.2 | Very low | 211 Ų | 211 | 163.2 Ų | 163.2 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | trans | -128.1 | 108.4 | 160.4 | -84.5 | -79.8 | 0 | 0 | 0 | 109.6 | ||||
| 9 | P | 50.8 | Low | 42.9 | Very low | 114 Ų | 114 | 163.4 Ų | 163.4 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | trans | -93.4 | 169.4 | 164.8 | 35.2 | -27.3 | 0 | 0 | 0 | 111.1 | ||||
| 10 | P | 48.8 | Very low | 42.9 | Very low | 115 Ų | 115 | 164.3 Ų | 164.3 | 75% | 0.747 | 83% | 0.83 | S | S | * | * | -128.3 | -179.7 | -127.4 | 42.1 | -29.3 | 0 | 0 | 0 | 116.3 | |||||
| 11 | V | 45 | Very low | 42.7 | Very low | 120 Ų | 120 | 165 Ų | 165 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | 35 | 124.2 | 144.1 | 174.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 12 | E | 39.3 | Very low | 42.7 | Very low | 183 Ų | 183 | 161.7 Ų | 161.7 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | -143.4 | 142.3 | 127.4 | -128.4 | 161.9 | -142.5 | 0 | 0 | 110.4 | |||||
| 13 | E | 46.3 | Very low | 42.4 | Very low | 173 Ų | 173 | 162.3 Ų | 162.3 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -94.4 | 150.4 | 176.1 | -64.1 | 171.9 | 134.8 | 0 | 0 | 108.9 | ||||
| 14 | Q | 39.6 | Very low | 42.3 | Very low | 172 Ų | 172 | 162.6 Ų | 162.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -153.8 | 134.3 | 162.4 | -133.6 | 144.4 | 99 | 0 | 0 | 111.8 | ||||
| 15 | E | 44.2 | Very low | 42 | Very low | 176 Ų | 176 | 166.2 Ų | 166.2 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -82.4 | 148.9 | -178.5 | -60.3 | 153.6 | 129.4 | 0 | 0 | 110.4 | ||||
| 16 | Q | 37.8 | Very low | 41.5 | Very low | 166 Ų | 166 | 164.6 Ų | 164.6 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -159.2 | 99.7 | 152.4 | -121.3 | 133.8 | 105.8 | 0 | 0 | 110.9 | ||||
| 17 | D | 36.6 | Very low | 40.9 | Very low | 140 Ų | 140 | 162.2 Ų | 162.2 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | 56 | 112.2 | 131.4 | -49.5 | -24.3 | 0 | 0 | 0 | 119.7 | ||||
| 18 | E | 45.7 | Very low | 41.1 | Very low | 194 Ų | 194 | 164.4 Ų | 164.4 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -64.4 | 139.3 | 154.3 | -60.8 | 169.9 | 141.2 | 0 | 0 | 109.2 | ||||
| 19 | M | 36.3 | Very low | 40.8 | Very low | 167 Ų | 167 | 163 Ų | 163 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -140 | 110.9 | 164 | -154.8 | 175 | -60.2 | 0 | 0 | 108.6 | ||||
| 20 | E | 43.1 | Very low | 40.2 | Very low | 182 Ų | 182 | 166 Ų | 166 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -78.8 | 126.3 | 169.4 | -62.1 | 176 | 121.5 | 0 | 0 | 107.4 | ||||
| 21 | E | 39.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 168.4 Ų | 168.4 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -101 | 111.9 | 163.3 | -77.4 | -169.3 | 144.1 | 0 | 0 | 108.1 | ||||
| 22 | E | 37.2 | Very low | 38.9 | Very low | 168 Ų | 168 | 167.1 Ų | 167.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -85.1 | 104.4 | 172.4 | -62.8 | -179.5 | 119.8 | 0 | 0 | 108.6 | E24 | E22-E24 PolarHBondContact O-N 3.1Š| ||
| 23 | D | 34.8 | Very low | 38.5 | Very low | 160 Ų | 160 | 163.5 Ų | 163.5 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 72.4 | 170.8 | -81.6 | -35.8 | 0 | 0 | 0 | 110.4 | E25 | D23-E25 PolarHBondContact O-N 3.45Š| ||
| 24 | E | 40.1 | Very low | 37.8 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -77.3 | 82 | 163.5 | -70.9 | -161.5 | 138.2 | 0 | 0 | 110.3 | E22 D26 | E22-E24 PolarHBondContact O-N 3.1Å; E24-D26 PolarHBondContact O-N 3.41Å | ||
| 25 | E | 41.1 | Very low | 37.5 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -84.6 | 91.3 | 159.6 | -77.1 | -166.5 | 151.2 | 0 | 0 | 109.7 | D23 | D23-E25 PolarHBondContact O-N 3.45Š| ||
| 26 | D | 35.7 | Very low | 36.8 | Very low | 145 Ų | 145 | 155.5 Ų | 155.5 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -75.2 | 130.5 | 165.6 | -166.3 | 18.6 | 0 | 0 | 0 | 109.8 | E24 | E24-D26 PolarHBondContact O-N 3.41Š| ||
| 27 | D | 35.2 | Very low | 36.7 | Very low | 148 Ų | 148 | 154.8 Ų | 154.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -138.1 | 58.7 | -170 | -160.2 | 24.2 | 0 | 0 | 0 | 110.7 | E29 | D27-E29 PolarHBondContact O-N 3.18Š| ||
| 28 | E | 41.3 | Very low | 36.5 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -74 | 90.7 | 170.2 | -71.8 | -160 | 144.8 | 0 | 0 | 111.9 | ||||
| 29 | E | 38.8 | Very low | 35.8 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -123.8 | 91.1 | 158.7 | -79.9 | -152.1 | 158.9 | 0 | 0 | 113.6 | D27 | D27-E29 PolarHBondContact O-N 3.18Š| ||
| 30 | E | 38.4 | Very low | 35.7 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | 41.1 | 128.1 | 131.9 | -75.1 | -72.3 | -173.2 | 0 | 0 | 122.1 | A32 | E30-A32 PolarHBondContact O-N 2.64Å; E30-A32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | E | 33.1 | Very low | 35.2 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -79.8 | 89.2 | 174.2 | -81.4 | -150.2 | 172.6 | 0 | 0 | 113.8 | T33 | E31-T33 HydrophobicContact CB-CG2 4.4Å; E31-T33 PolarHBondContact O-N 3.01Å | ||
| 32 | A | 32.5 | Very low | 35.1 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -78.8 | 73.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E30 S34 | E30-A32 PolarHBondContact O-N 2.64Å; E30-A32 VanDerWaalsContact O-N 3.11Å; A32-S34 PolarHBondContact O-N 3.31Å | ||
| 33 | T | 31.9 | Very low | 35 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 80.6 | -177.3 | 47.4 | 0 | 0 | 0 | 0 | 114.8 | E31 S35 | E31-T33 HydrophobicContact CB-CG2 4.4Å; E31-T33 PolarHBondContact O-N 3.01Å; T33-S35 PolarHBondContact O-N 3.01Å | ||
| 34 | S | 31 | Very low | 34.8 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -84.1 | 91.2 | 172.9 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | A32 D36 | A32-S34 PolarHBondContact O-N 3.31Å; S34-D36 PolarHBondContact O-N 3.29Å | ||
| 35 | S | 34.1 | Very low | 34.4 | Very low | 103 Ų | 103 | 154 Ų | 154 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -83.5 | 81.6 | 175.6 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | T33 N37 | T33-S35 PolarHBondContact O-N 3.01Å; S35-N37 VanDerWaalsContact C-N 3.25Å; S35-N37 PolarHBondContact O-N 2.91Å | ||
| 36 | D | 29.8 | Very low | 34 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -78.7 | 67.5 | -179.5 | -151.6 | -30.5 | 0 | 0 | 0 | 112.7 | S34 N38 | S34-D36 PolarHBondContact O-N 3.29Å; D36-N38 PolarHBondContact O-N 2.91Å; D36-N38 PolarHBondContact O-ND2 2.87Å; D36-N38 PolarHBondContact OD1-ND2 3.44Å | ||
| 37 | N | 34.3 | Very low | 33.7 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -75.8 | 85.1 | 176.5 | -88.4 | -21.5 | 0 | 0 | 0 | 111 | S35 N39 | S35-N37 VanDerWaalsContact C-N 3.25Å; S35-N37 PolarHBondContact O-N 2.91Å; N37-N39 VanDerWaalsContact C-N 3.34Å; N37-N39 PolarHBondContact O-N 2.85Å | ||
| 38 | N | 32.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -73.8 | 89.7 | 167.7 | -71.3 | -92.1 | 0 | 0 | 0 | 109.6 | D36 | D36-N38 PolarHBondContact O-N 2.91Å; D36-N38 PolarHBondContact O-ND2 2.87Å; D36-N38 PolarHBondContact OD1-ND2 3.44Å | ||
| 39 | N | 31.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -97.2 | 97.2 | 168.2 | -175.6 | 91.4 | 0 | 0 | 0 | 108.1 | N37 | N37-N39 VanDerWaalsContact C-N 3.34Å; N37-N39 PolarHBondContact O-N 2.85Å | ||
| 40 | D | 34.6 | Very low | 32.7 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 148.3 | 179.4 | -97 | -44.4 | 0 | 0 | 0 | 112.2 | ||
| 41 | D | 32.2 | Very low | 32.4 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 118.9 | -173.1 | -163.5 | 27.2 | 0 | 0 | 0 | 109.9 | ||
| 42 | E | 36.6 | Very low | 32.5 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 120.8 | 169.3 | -82.5 | -160.5 | 156.3 | 0 | 0 | 110 | ||
| 43 | E | 35.3 | Very low | 32.5 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62 | 143.7 | -173.4 | -64.5 | -177.5 | 124.2 | 0 | 0 | 113.4 | ||
| 44 | Q | 32 | Very low | 33.1 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 127 | 175.7 | -60.9 | 173.9 | 12 | 0 | 0 | 111.1 | ||
| 45 | E | 31.7 | Very low | 33.3 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -107.8 | 143.5 | 160.9 | -100.2 | -69.2 | -166.5 | 0 | 0 | 111.2 | ||||
| 46 | A | 32.1 | Very low | 33.3 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -102.2 | 114.5 | -159.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 47 | G | 29.1 | Very low | 33.5 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | -124.9 | 89.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 48 | G | 28.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 92% | 0.918 | 83% | 0.825 | S | S | * | * | trans | -79.7 | 125 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 49 | G | 30.8 | Very low | 34.1 | Very low | 79 Ų | 79 | 139 Ų | 139 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | -161.4 | 97 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 50 | K | 34.9 | Very low | 34.4 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -79 | 130 | 171.9 | -71.7 | -178.7 | 175.5 | -178.7 | 0 | 110.1 | ||||
| 51 | E | 32.4 | Very low | 34.8 | Very low | 201 Ų | 201 | 142 Ų | 142 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | -145.7 | 179.5 | 124.9 | -73.4 | -142.7 | 141.3 | 0 | 0 | 107.9 | |||||
| 52 | A | 33.9 | Very low | 35.4 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -96.8 | 148.8 | -151 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 53 | E | 33 | Very low | 35.6 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -41.7 | 148.6 | 157.1 | -82.9 | -72 | 149.5 | 0 | 0 | 113.8 | S55 | E53-S55 PolarHBondContact OE2-N 3.26Š| ||
| 54 | P | 44.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | -144.9 | 122.9 | 71 | 36.3 | -16.6 | 0 | 0 | 0 | 118.5 | |||||
| 55 | S | 36 | Very low | 37.5 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | 44 | 99.6 | 128.9 | 71.4 | 0 | 0 | 0 | 0 | 119.8 | E53 | E53-S55 PolarHBondContact OE2-N 3.26Š| |||
| 56 | S | 34.1 | Very low | 39 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -160.2 | 60.8 | 145.9 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | A58 | S56-A58 VanDerWaalsContact C-N 3.29Å; S56-A58 PolarHBondContact O-N 2.81Å | ||
| 57 | A | 33.1 | Very low | 40.8 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -71.9 | 83.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E59 | A57-E59 PolarHBondContact O-N 3.18Š| ||
| 58 | A | 38.4 | Very low | 43.5 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -68.5 | 114.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S56 E60 | S56-A58 VanDerWaalsContact C-N 3.29Å; S56-A58 PolarHBondContact O-N 2.81Å; A58-E60 PolarHBondContact O-N 3.04Å | ||
| 59 | E | 40.8 | Very low | 46.3 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -62.5 | 101.6 | 164.1 | -76.3 | -165.3 | 125.7 | 0 | 0 | 108.7 | A57 K61 | A57-E59 PolarHBondContact O-N 3.18Å; E59-K61 PolarHBondContact O-N 3.15Å | ||
| 60 | E | 39.1 | Very low | 49.1 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -63.5 | 88 | 159.7 | -73.1 | -162.2 | 150.8 | 0 | 0 | 108.2 | A58 K62 | A58-E60 PolarHBondContact O-N 3.04Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.28Å | ||
| 61 | K | 42.7 | Very low | 51.8 | Low | 181 Ų | 181 | 122.2 Ų | 122.2 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | trans | -53.4 | 103.6 | 163.4 | -72.4 | -176.1 | 177.8 | -179.7 | 0 | 106.9 | E59 | E59-K61 PolarHBondContact O-N 3.15Š| ||
| 62 | K | 44.3 | Very low | 54.7 | Low | 187 Ų | 187 | 114.1 Ų | 114.1 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -44.6 | 126.8 | 172.5 | -67.5 | 174.9 | -177.8 | 170.5 | 0 | 106.9 | E60 S64 | E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.28Å; K62-S64 PolarHBondContact O-N 3.29Å | ||
| 63 | P | 41.5 | Very low | 57.5 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 78% | 0.779 | 62% | 0.62 | S | S | * | * | trans | -53.1 | 131.7 | -179.1 | 23 | -33.4 | 0 | 0 | 0 | 107.7 | D65 | P63-D65 PolarHBondContact O-N 2.94Š| ||
| 64 | S | 49.7 | Very low | 60.4 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 58% | 0.58 | 60% | 0.603 | S | S | * | * | trans | -48.3 | 119.4 | -175.8 | 35.1 | 0 | 0 | 0 | 0 | 108.6 | K62 V66 | K62-S64 PolarHBondContact O-N 3.29Å; S64-V66 WeakPolarHBondContact O-CG2 3.35Å; S64-V66 PolarHBondContact O-N 3Å | ||
| 65 | D | 57.9 | Low | 62.7 | Low | 131 Ų | 131 | 105.6 Ų | 105.6 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | trans | -61.3 | 99.1 | -170.9 | -175.1 | 14.7 | 0 | 0 | 0 | 108.1 | P63 L67 | P63-D65 PolarHBondContact O-N 2.94Å; D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 WeakPolarHBondContact O-CG 2.92Å; D65-L67 PolarHBondContact O-N 3.48Å | ||
| 66 | V | 61.8 | Low | 65.5 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | trans | -71.7 | 89.8 | -165 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | S64 N68 F183 | S64-V66 WeakPolarHBondContact O-CG2 3.35Å; S64-V66 PolarHBondContact O-N 3Å; V66-N68 VanDerWaalsContact C-N 3.35Å; V66-N68 PolarHBondContact O-N 3.05Å; V66-F183 HydrophobicContact CG1-CE2 4.41Å; V66-F183 HydrophobicContact CG1-CZ 4.45Å | ||
| 67 | L | 69.8 | Low | 68.4 | Low | 66 Ų | 66 | 100.6 Ų | 100.6 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | trans | -58 | 96.6 | -166.4 | -68.9 | -167.6 | 0 | 0 | 0 | 111 | D65 L69 A179 | D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 WeakPolarHBondContact O-CG 2.92Å; D65-L67 PolarHBondContact O-N 3.48Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.11Å; L67-A179 HydrophobicContact CD1-CB 3.37Å; L67-A179 HydrophobicContact CG-CB 4.41Å | ||
| 68 | N | 86.9 | Confident | 71.4 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -69.3 | 97.5 | 171.8 | -177.9 | -20.1 | 0 | 0 | 0 | 107 | V66 N70 N71 E72 | V66-N68 VanDerWaalsContact C-N 3.35Å; V66-N68 PolarHBondContact O-N 3.05Å; N68-N70 PolarHBondContact O-N 3.34Å; N68-N70 WeakPolarHBondContact OD1-CB 3.5Å; N68-N70 PolarHBondContact OD1-N 2.81Å; N68-N71 HydrophobicContact CB-CB 4.15Å; N68-N71 WeakPolarHBondContact O-CA 3.11Å; N68-N71 WeakPolarHBondContact O-CB 3.42Å; N68-N71 PolarHBondContact O-N 2.82Å; N68-E72 PolarHBondContact O-N 2.88Å; N68-E72 VanDerWaalsContact O-N 3.12Å | ||
| 69 | L | 86.9 | Confident | 74.1 | Confident | 78 Ų | 78 | 99.9 Ų | 99.9 | 41% | 0.408 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -51.8 | -32.1 | -176.1 | -172.3 | 63.7 | 0 | 0 | 0 | 112.6 | L67 E72 V73 L138 I176 V180 | L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.11Å; L69-E72 PolarHBondContact O-N 2.85Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.03Å; L69-L138 HydrophobicContact CD1-CD1 3.99Å; L69-I176 HydrophobicContact CD1-CG2 3.57Å; L69-V180 HydrophobicContact CD1-CG2 4.38Å |
| 70 | N | 90.8 | Very high | 76.8 | Confident | 109 Ų | 109 | 91.8 Ų | 91.8 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 175.4 | -167.7 | 21.6 | 0 | 0 | 0 | 111.8 | N68 E72 V73 V74 | N68-N70 PolarHBondContact O-N 3.34Å; N68-N70 WeakPolarHBondContact OD1-CB 3.5Å; N68-N70 PolarHBondContact OD1-N 2.81Å; N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 3.09Å; N70-V73 PolarHBondContact O-N 3.41Å; N70-V74 VanDerWaalsContact O-CG2 3.32Å; N70-V74 WeakPolarHBondContact O-CG2 3.43Å; N70-V74 PolarHBondContact O-N 2.78Å |
| 71 | N | 91.6 | Very high | 79.5 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 47% | 0.465 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.3 | -68.2 | -8.7 | 0 | 0 | 0 | 111.5 | N68 V74 K75 | N68-N71 HydrophobicContact CB-CB 4.15Å; N68-N71 WeakPolarHBondContact O-CA 3.11Å; N68-N71 WeakPolarHBondContact O-CB 3.42Å; N68-N71 PolarHBondContact O-N 2.82Å; N71-V74 PolarHBondContact O-N 3.1Å; N71-K75 WeakPolarHBondContact O-CG 3.25Å; N71-K75 PolarHBondContact O-N 3Å |
| 72 | E | 91.6 | Very high | 82.1 | Confident | 31 Ų | 31 | 87.3 Ų | 87.3 | 15% | 0.145 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 173.3 | -66.8 | -44.9 | 122.2 | 0 | 0 | 112.3 | N68 L69 N70 V74 K75 M76 I176 | N68-E72 PolarHBondContact O-N 2.88Å; N68-E72 VanDerWaalsContact O-N 3.12Å; L69-E72 PolarHBondContact O-N 2.85Å; N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 3.09Å; E72-V74 VanDerWaalsContact C-N 3.26Å; E72-V74 PolarHBondContact O-N 3.25Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 VanDerWaalsContact OE1-CD 3.32Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 WeakPolarHBondContact OE1-CE 3.34Å; E72-K75 IonicContact OE1-NZ 2.94Å; E72-K75 PolarHBondContact OE1-NZ 2.79Å; E72-K75 VanDerWaalsContact OE2-CD 3.22Å; E72-K75 WeakPolarHBondContact OE2-CD 3.49Å; E72-K75 IonicContact OE2-NZ 3.49Å; E72-M76 WeakPolarHBondContact O-CB 3.33Å; E72-M76 VanDerWaalsContact O-CG 3.27Å; E72-M76 WeakPolarHBondContact O-CG 3.46Å; E72-M76 PolarHBondContact O-N 2.75Å; E72-I176 HydrophobicContact CB-CD1 4Å; E72-I176 HydrophobicContact CB-CG1 4.39Å; E72-I176 HydrophobicContact CG-CG1 4.48Å |
| 73 | V | 93.1 | Very high | 84.6 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 173 | 169.4 | 0 | 0 | 0 | 0 | 111 | L69 N70 M76 R77 D131 T134 L138 | L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.03Å; N70-V73 PolarHBondContact O-N 3.41Å; V73-M76 PolarHBondContact O-N 3.1Å; V73-R77 PolarHBondContact O-N 2.87Å; V73-D131 HydrophobicContact CG1-CB 4.47Å; V73-T134 HydrophobicContact CB-CG2 4.38Å; V73-T134 HydrophobicContact CG1-CG2 4.36Å; V73-T134 HydrophobicContact CG2-CG2 3.94Å; V73-L138 HydrophobicContact CG2-CD1 3.92Å |
| 74 | V | 93.8 | Very high | 87.2 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | N70 N71 E72 R77 | N70-V74 VanDerWaalsContact O-CG2 3.32Å; N70-V74 WeakPolarHBondContact O-CG2 3.43Å; N70-V74 PolarHBondContact O-N 2.78Å; N71-V74 PolarHBondContact O-N 3.1Å; E72-V74 VanDerWaalsContact C-N 3.26Å; E72-V74 PolarHBondContact O-N 3.25Å; V74-R77 VanDerWaalsContact O-CB 3.31Å; V74-R77 WeakPolarHBondContact O-CB 3.24Å; V74-R77 WeakPolarHBondContact O-CG 2.94Å; V74-R77 PolarHBondContact O-N 3.46Å |
| 75 | K | 93 | Very high | 89.4 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 171.6 | -73.6 | 164.6 | 176.5 | 177.4 | 0 | 110.9 | N71 E72 R77 K78 | N71-K75 WeakPolarHBondContact O-CG 3.25Å; N71-K75 PolarHBondContact O-N 3Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 VanDerWaalsContact OE1-CD 3.32Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 WeakPolarHBondContact OE1-CE 3.34Å; E72-K75 IonicContact OE1-NZ 2.94Å; E72-K75 PolarHBondContact OE1-NZ 2.79Å; E72-K75 VanDerWaalsContact OE2-CD 3.22Å; E72-K75 WeakPolarHBondContact OE2-CD 3.49Å; E72-K75 IonicContact OE2-NZ 3.49Å; K75-R77 PolarHBondContact O-N 2.92Å; K75-K78 PolarHBondContact O-N 3.1Å; K75-K78 VanDerWaalsContact O-N 3.16Å |
| 76 | M | 95.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -21.4 | -179.5 | -68.9 | -56.3 | -70.2 | 0 | 0 | 113.6 | E72 V73 K78 E79 V80 T134 F169 K172 I173 I176 | E72-M76 WeakPolarHBondContact O-CB 3.33Å; E72-M76 VanDerWaalsContact O-CG 3.27Å; E72-M76 WeakPolarHBondContact O-CG 3.46Å; E72-M76 PolarHBondContact O-N 2.75Å; V73-M76 PolarHBondContact O-N 3.1Å; M76-K78 PolarHBondContact O-N 2.99Å; M76-K78 VanDerWaalsContact O-N 3.14Å; M76-E79 HydrophobicContact CE-CB 4.09Å; M76-E79 HydrophobicContact CE-CG 4.37Å; M76-E79 WeakPolarHBondContact O-CA 3.16Å; M76-E79 WeakPolarHBondContact O-CB 3.47Å; M76-E79 PolarHBondContact O-N 3.11Å; M76-E79 HydrophobicContact SD-CB 4.33Å; M76-E79 HydrophobicContact SD-CG 4.01Å; M76-V80 PolarHBondContact O-N 3.46Å; M76-T134 HydrophobicContact CB-CG2 3.69Å; M76-T134 HydrophobicContact CG-CG2 4.03Å; M76-F169 HydrophobicContact CE-CD2 3.28Å; M76-F169 HydrophobicContact CE-CE2 3.33Å; M76-F169 HydrophobicContact CE-CG 4.3Å; M76-F169 HydrophobicContact CE-CZ 4.39Å; M76-K172 HydrophobicContact CE-CB 3.7Å; M76-K172 HydrophobicContact CE-CD 4.28Å; M76-K172 HydrophobicContact SD-CB 3.84Å; M76-K172 HydrophobicContact SD-CD 3.96Å; M76-I173 HydrophobicContact CE-CD1 4.42Å; M76-I173 HydrophobicContact CE-CG1 4.5Å; M76-I176 HydrophobicContact CG-CD1 4.09Å; M76-I176 HydrophobicContact SD-CD1 4.4Å |
| 77 | R | 95.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 67 Ų | 67 | 38% | 0.381 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -49.2 | -38.8 | 169.9 | -68.7 | 174.3 | 169.1 | 170.9 | -3.9 | 113.4 | V73 V74 K75 K81 P130 D131 | V73-R77 PolarHBondContact O-N 2.87Å; V74-R77 VanDerWaalsContact O-CB 3.31Å; V74-R77 WeakPolarHBondContact O-CB 3.24Å; V74-R77 WeakPolarHBondContact O-CG 2.94Å; V74-R77 PolarHBondContact O-N 3.46Å; K75-R77 PolarHBondContact O-N 2.92Å; R77-K81 WeakPolarHBondContact O-CB 3.4Å; R77-K81 VanDerWaalsContact O-CG 3.23Å; R77-K81 WeakPolarHBondContact O-CG 3.43Å; R77-K81 PolarHBondContact O-N 3Å; R77-P130 HydrophobicContact CB-CB 4.31Å; R77-P130 HydrophobicContact CG-CB 4.2Å; R77-D131 WeakPolarHBondContact CG-OD1 3.4Å; R77-D131 IonicContact CZ-OD1 2.64Å; R77-D131 IonicContact CZ-OD2 3.29Å; R77-D131 VanDerWaalsContact CZ-OD2 3.28Å; R77-D131 VanDerWaalsContact NE-CG 3.34Å; R77-D131 IonicContact NE-OD1 2.73Å; R77-D131 PolarHBondContact NE-OD1 2.86Å; R77-D131 IonicContact NE-OD2 2.74Å; R77-D131 PolarHBondContact NE-OD2 2.8Å; R77-D131 VanDerWaalsContact NE-OD2 3.07Å; R77-D131 IonicContact NH2-OD1 2.68Å; R77-D131 IonicContact NH2-OD2 2.88Å; R77-D131 PolarHBondContact NH2-OD2 2.99Å |
| 78 | K | 95.5 | Very high | 94.2 | Very high | 157 Ų | 157 | 65.3 Ų | 65.3 | 68% | 0.683 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.7 | -41.4 | 177.7 | -68.6 | -179.1 | 179.6 | 176.8 | 0 | 111 | K75 M76 K81 R82 | K75-K78 PolarHBondContact O-N 3.1Å; K75-K78 VanDerWaalsContact O-N 3.16Å; M76-K78 PolarHBondContact O-N 2.99Å; M76-K78 VanDerWaalsContact O-N 3.14Å; K78-K81 PolarHBondContact O-N 3.35Å; K78-R82 WeakPolarHBondContact O-CG 3.45Å; K78-R82 PolarHBondContact O-N 3.46Å |
| 79 | E | 95.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -48.8 | -179.1 | -52.8 | -54.5 | 90 | 0 | 0 | 111.4 | M76 K81 R82 V83 K172 | M76-E79 HydrophobicContact CE-CB 4.09Å; M76-E79 HydrophobicContact CE-CG 4.37Å; M76-E79 WeakPolarHBondContact O-CA 3.16Å; M76-E79 WeakPolarHBondContact O-CB 3.47Å; M76-E79 PolarHBondContact O-N 3.11Å; M76-E79 HydrophobicContact SD-CB 4.33Å; M76-E79 HydrophobicContact SD-CG 4.01Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-R82 VanDerWaalsContact O-N 3.15Å; E79-R82 IonicContact OE1-CZ 2.73Å; E79-R82 IonicContact OE1-NE 3.8Å; E79-R82 PolarHBondContact OE1-NE 3Å; E79-R82 IonicContact OE1-NH2 2.63Å; E79-R82 PolarHBondContact OE1-NH2 3.12Å; E79-R82 IonicContact OE2-CZ 2.62Å; E79-R82 IonicContact OE2-NH2 3.92Å; E79-R82 PolarHBondContact OE2-NH2 2.62Å; E79-V83 WeakPolarHBondContact O-CB 3.37Å; E79-V83 WeakPolarHBondContact O-CG2 3.02Å; E79-V83 PolarHBondContact O-N 2.73Å; E79-K172 HydrophobicContact CG-CD 4.17Å; E79-K172 IonicContact OE2-NZ 2.68Å; E79-K172 PolarHBondContact OE2-NZ 3.05Å |
| 80 | V | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | M76 R82 V83 K84 P130 V133 I163 F169 | M76-V80 PolarHBondContact O-N 3.46Å; V80-R82 PolarHBondContact O-N 3.36Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-K84 WeakPolarHBondContact O-CB 3.38Å; V80-K84 PolarHBondContact O-N 3.06Å; V80-P130 HydrophobicContact CB-CB 4.11Å; V80-P130 HydrophobicContact CG1-CB 4.06Å; V80-V133 HydrophobicContact CG1-CB 4.17Å; V80-V133 HydrophobicContact CG1-CG1 4.08Å; V80-V133 HydrophobicContact CG2-CG1 4.27Å; V80-I163 HydrophobicContact CG1-CG2 4.32Å; V80-F169 HydrophobicContact CG2-CD2 3.88Å; V80-F169 HydrophobicContact CG2-CE2 3.26Å; V80-F169 HydrophobicContact CG2-CZ 3.92Å |
| 81 | K | 96.7 | Very high | 95.4 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 176.2 | -76.7 | 175.7 | -179.9 | -174.8 | 0 | 112.3 | R77 K78 E79 A85 P130 | R77-K81 WeakPolarHBondContact O-CB 3.4Å; R77-K81 VanDerWaalsContact O-CG 3.23Å; R77-K81 WeakPolarHBondContact O-CG 3.43Å; R77-K81 PolarHBondContact O-N 3Å; K78-K81 PolarHBondContact O-N 3.35Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å; K81-A85 PolarHBondContact O-N 2.93Å; K81-A85 VanDerWaalsContact O-N 3.14Å; K81-P130 HydrophobicContact CG-CG 4.19Å |
| 82 | R | 96.3 | Very high | 95.7 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 175.7 | -70.3 | -164.6 | -68.1 | 153.7 | -11.4 | 111.8 | K78 E79 V80 A85 L86 | K78-R82 WeakPolarHBondContact O-CG 3.45Å; K78-R82 PolarHBondContact O-N 3.46Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-R82 VanDerWaalsContact O-N 3.15Å; E79-R82 IonicContact OE1-CZ 2.73Å; E79-R82 IonicContact OE1-NE 3.8Å; E79-R82 PolarHBondContact OE1-NE 3Å; E79-R82 IonicContact OE1-NH2 2.63Å; E79-R82 PolarHBondContact OE1-NH2 3.12Å; E79-R82 IonicContact OE2-CZ 2.62Å; E79-R82 IonicContact OE2-NH2 3.92Å; E79-R82 PolarHBondContact OE2-NH2 2.62Å; V80-R82 PolarHBondContact O-N 3.36Å; R82-A85 PolarHBondContact O-N 2.91Å; R82-L86 WeakPolarHBondContact O-CG 3.28Å; R82-L86 PolarHBondContact O-N 3.43Å |
| 83 | V | 96.8 | Very high | 96 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | -178.8 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | E79 V80 A85 L86 I87 I163 H166 F169 | E79-V83 WeakPolarHBondContact O-CB 3.37Å; E79-V83 WeakPolarHBondContact O-CG2 3.02Å; E79-V83 PolarHBondContact O-N 2.73Å; V80-V83 PolarHBondContact O-N 2.96Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 2.72Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-I87 HydrophobicContact CG1-CD1 3.53Å; V83-I87 HydrophobicContact CG1-CG1 4.23Å; V83-I87 WeakPolarHBondContact O-CB 3.13Å; V83-I87 WeakPolarHBondContact O-CG1 3.42Å; V83-I87 PolarHBondContact O-N 3.45Å; V83-I163 HydrophobicContact CG1-CG2 3.96Å; V83-H166 HydrophobicContact CG1-CB 3.57Å; V83-H166 VanDerWaalsContact CG1-CG 3.41Å; V83-H166 WeakPolarHBondContact CG2-ND1 3.24Å; V83-F169 HydrophobicContact CG2-CB 4.28Å |
| 84 | K | 96.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 74.2 Ų | 74.2 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.5 | -44 | 172.4 | 174 | 163.9 | 156.4 | 155.2 | 0 | 111.2 | V80 I88 M125 K126 L128 | V80-K84 WeakPolarHBondContact O-CB 3.38Å; V80-K84 PolarHBondContact O-N 3.06Å; K84-I88 HydrophobicContact CG-CD1 3.91Å; K84-I88 WeakPolarHBondContact O-CB 3.43Å; K84-I88 WeakPolarHBondContact O-CD1 3.48Å; K84-I88 WeakPolarHBondContact O-CG1 3.22Å; K84-I88 PolarHBondContact O-N 3.36Å; K84-M125 HydrophobicContact CB-CE 4.46Å; K84-M125 WeakPolarHBondContact CD-O 3.46Å; K84-M125 WeakPolarHBondContact CE-O 3.35Å; K84-M125 HydrophobicContact CG-CE 4.33Å; K84-M125 PolarHBondContact NZ-O 2.92Å; K84-K126 PolarHBondContact NZ-O 3.28Å; K84-L128 PolarHBondContact NZ-O 3.16Å |
| 85 | A | 96.7 | Very high | 96.3 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 49% | 0.488 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K81 R82 V83 R89 | K81-A85 PolarHBondContact O-N 2.93Å; K81-A85 VanDerWaalsContact O-N 3.14Å; R82-A85 PolarHBondContact O-N 2.91Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 2.72Å; A85-R89 WeakPolarHBondContact O-CB 3.37Å; A85-R89 PolarHBondContact O-N 2.87Å |
| 86 | L | 96.5 | Very high | 96.5 | Very high | 85 Ų | 85 | 69.5 Ų | 69.5 | 45% | 0.445 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.7 | -72.3 | 173.6 | 0 | 0 | 0 | 112.2 | R82 V83 R89 K90 | R82-L86 WeakPolarHBondContact O-CG 3.28Å; R82-L86 PolarHBondContact O-N 3.43Å; V83-L86 PolarHBondContact O-N 3.31Å; L86-R89 PolarHBondContact O-N 3.03Å; L86-K90 PolarHBondContact O-N 3.06Å |
| 87 | I | 96.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.046 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66 | -49.9 | 177.7 | -65.2 | 167 | 0 | 0 | 0 | 109.9 | V83 R89 K90 L91 M125 R162 I163 H166 | V83-I87 HydrophobicContact CG1-CD1 3.53Å; V83-I87 HydrophobicContact CG1-CG1 4.23Å; V83-I87 WeakPolarHBondContact O-CB 3.13Å; V83-I87 WeakPolarHBondContact O-CG1 3.42Å; V83-I87 PolarHBondContact O-N 3.45Å; I87-R89 PolarHBondContact O-N 3.39Å; I87-K90 CarbonylContact O-C 3.58Å; I87-K90 WeakPolarHBondContact O-CA 3.29Å; I87-K90 VanDerWaalsContact O-CB 3.3Å; I87-K90 WeakPolarHBondContact O-CB 3.31Å; I87-K90 PolarHBondContact O-N 3.35Å; I87-L91 HydrophobicContact CG2-CD1 4.04Å; I87-L91 HydrophobicContact CG2-CG 4.08Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 2.93Å; I87-M125 HydrophobicContact CB-CE 3.79Å; I87-M125 HydrophobicContact CB-SD 4.38Å; I87-M125 HydrophobicContact CD1-CE 4.37Å; I87-M125 HydrophobicContact CG2-CE 3.58Å; I87-M125 HydrophobicContact CG2-SD 3.57Å; I87-M125 VanDerWaalsContact CG2-SD 3.57Å; I87-R162 HydrophobicContact CD1-CG 4.47Å; I87-R162 WeakPolarHBondContact CD1-O 3.39Å; I87-R162 HydrophobicContact CG2-CG 4.15Å; I87-I163 HydrophobicContact CD1-CB 4.5Å; I87-I163 HydrophobicContact CD1-CG1 4.11Å; I87-H166 HydrophobicContact CD1-CB 4.18Å |
| 88 | I | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.2 | -44.3 | 175.9 | -72.7 | 167.5 | 0 | 0 | 0 | 110.3 | K84 K90 L91 T92 V122 M125 K126 | K84-I88 HydrophobicContact CG-CD1 3.91Å; K84-I88 WeakPolarHBondContact O-CB 3.43Å; K84-I88 WeakPolarHBondContact O-CD1 3.48Å; K84-I88 WeakPolarHBondContact O-CG1 3.22Å; K84-I88 PolarHBondContact O-N 3.36Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.94Å; I88-L91 PolarHBondContact O-N 3.37Å; I88-T92 PolarHBondContact O-N 2.95Å; I88-T92 PolarHBondContact O-OG1 3.15Å; I88-T92 VanDerWaalsContact O-OG1 3.05Å; I88-V122 HydrophobicContact CG2-CG1 4.12Å; I88-M125 HydrophobicContact CD1-CB 4.19Å; I88-M125 HydrophobicContact CG1-CB 4.16Å; I88-M125 HydrophobicContact CG1-CE 4.02Å; I88-M125 HydrophobicContact CG1-SD 3.97Å; I88-K126 HydrophobicContact CD1-CG 4.23Å |
| 89 | R | 97.3 | Very high | 96.4 | Very high | 172 Ų | 172 | 67.8 Ų | 67.8 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63 | -33.9 | 175.4 | -165.5 | 179.9 | 177.9 | 176 | -0.4 | 112.8 | A85 L86 I87 R93 | A85-R89 WeakPolarHBondContact O-CB 3.37Å; A85-R89 PolarHBondContact O-N 2.87Å; L86-R89 PolarHBondContact O-N 3.03Å; I87-R89 PolarHBondContact O-N 3.39Å; R89-R93 WeakPolarHBondContact O-CG 3.44Å; R89-R93 PolarHBondContact O-N 3.21Å; R89-R93 PolarHBondContact O-NE 3.42Å; R89-R93 PolarHBondContact O-NH2 3.09Å |
| 90 | K | 96.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 74.1 Ų | 74.1 | 54% | 0.543 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -49.3 | 171.1 | -172.9 | 177.6 | 180 | 177.9 | 0 | 110.8 | L86 I87 I88 R93 Q94 | L86-K90 PolarHBondContact O-N 3.06Å; I87-K90 CarbonylContact O-C 3.58Å; I87-K90 WeakPolarHBondContact O-CA 3.29Å; I87-K90 VanDerWaalsContact O-CB 3.3Å; I87-K90 WeakPolarHBondContact O-CB 3.31Å; I87-K90 PolarHBondContact O-N 3.35Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.94Å; K90-R93 PolarHBondContact O-N 2.93Å; K90-Q94 PolarHBondContact O-N 2.96Å |
| 91 | L | 96.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | -178.3 | -54.9 | -175.7 | 0 | 0 | 0 | 112.1 | I87 I88 R93 Q94 I95 L118 V122 M125 | I87-L91 HydrophobicContact CG2-CD1 4.04Å; I87-L91 HydrophobicContact CG2-CG 4.08Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 3.37Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 2.62Å; L91-Q94 CarbonylContact O-C 3.58Å; L91-Q94 WeakPolarHBondContact O-CA 3.36Å; L91-Q94 WeakPolarHBondContact O-CB 3.34Å; L91-Q94 PolarHBondContact O-N 3.46Å; L91-I95 WeakPolarHBondContact O-CD1 3.46Å; L91-I95 VanDerWaalsContact O-CG1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 2.65Å; L91-L118 HydrophobicContact CD2-CD2 4.36Å; L91-V122 HydrophobicContact CB-CG2 3.65Å; L91-V122 HydrophobicContact CD1-CG2 3.76Å; L91-V122 HydrophobicContact CG-CG2 4.33Å; L91-M125 HydrophobicContact CD1-SD 3.72Å |
| 92 | T | 97.3 | Very high | 96 | Very high | 64 Ų | 64 | 82.9 Ų | 82.9 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 176 | -55.9 | 0 | 0 | 0 | 0 | 112 | I88 I95 V96 | I88-T92 PolarHBondContact O-N 2.95Å; I88-T92 PolarHBondContact O-OG1 3.15Å; I88-T92 VanDerWaalsContact O-OG1 3.05Å; T92-I95 PolarHBondContact O-N 2.99Å; T92-V96 WeakPolarHBondContact O-CB 3.34Å; T92-V96 VanDerWaalsContact O-CG2 3.31Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.01Å |
| 93 | R | 97.2 | Very high | 95.6 | Very high | 146 Ų | 146 | 78.5 Ų | 78.5 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.7 | -40.6 | 173.1 | -76.8 | 174.9 | -71.7 | -173.6 | 1.6 | 112.1 | R89 K90 L91 V96 A97 | R89-R93 WeakPolarHBondContact O-CG 3.44Å; R89-R93 PolarHBondContact O-N 3.21Å; R89-R93 PolarHBondContact O-NE 3.42Å; R89-R93 PolarHBondContact O-NH2 3.09Å; K90-R93 PolarHBondContact O-N 2.93Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 2.62Å; R93-V96 PolarHBondContact O-N 2.63Å; R93-A97 WeakPolarHBondContact O-CB 3.29Å; R93-A97 PolarHBondContact O-N 3.26Å |
| 94 | Q | 96.5 | Very high | 95.4 | Very high | 83 Ų | 83 | 85.7 Ų | 85.7 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.5 | -71 | 173.5 | -39.6 | 0 | 0 | 112.2 | K90 L91 A97 L98 L118 | K90-Q94 PolarHBondContact O-N 2.96Å; L91-Q94 CarbonylContact O-C 3.58Å; L91-Q94 WeakPolarHBondContact O-CA 3.36Å; L91-Q94 WeakPolarHBondContact O-CB 3.34Å; L91-Q94 PolarHBondContact O-N 3.46Å; Q94-A97 PolarHBondContact O-N 3.44Å; Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 WeakPolarHBondContact O-CG 3.35Å; Q94-L98 PolarHBondContact O-N 3.41Å; Q94-L118 HydrophobicContact CB-CD1 4.12Å |
| 95 | I | 96.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 92 Ų | 92 | 5% | 0.046 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 173.8 | -69.8 | 155.7 | 0 | 0 | 0 | 110.7 | L91 T92 A97 L98 K99 A115 L118 L119 V122 | L91-I95 WeakPolarHBondContact O-CD1 3.46Å; L91-I95 VanDerWaalsContact O-CG1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 2.65Å; T92-I95 PolarHBondContact O-N 2.99Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.9Å; I95-L98 PolarHBondContact O-N 3.02Å; I95-K99 HydrophobicContact CG2-CD 4.32Å; I95-K99 WeakPolarHBondContact O-CG 3.34Å; I95-K99 PolarHBondContact O-N 3.34Å; I95-A115 HydrophobicContact CG2-CB 4.33Å; I95-L118 HydrophobicContact CD1-CB 3.88Å; I95-L118 HydrophobicContact CG1-CB 3.6Å; I95-L118 HydrophobicContact CG1-CD1 4.32Å; I95-L119 HydrophobicContact CD1-CD2 3.84Å; I95-L119 HydrophobicContact CD1-CG 3.81Å; I95-L119 HydrophobicContact CG1-CG 4.29Å; I95-L119 HydrophobicContact CG2-CD1 4.23Å; I95-L119 HydrophobicContact CG2-CD2 4.24Å; I95-L119 HydrophobicContact CG2-CG 4.07Å; I95-V122 HydrophobicContact CD1-CG2 4.3Å |
| 96 | V | 97.1 | Very high | 95 | Very high | 68 Ų | 68 | 91.8 Ų | 91.8 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | T92 R93 K100 | T92-V96 WeakPolarHBondContact O-CB 3.34Å; T92-V96 VanDerWaalsContact O-CG2 3.31Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.01Å; R93-V96 PolarHBondContact O-N 2.63Å; V96-K100 HydrophobicContact CG1-CD 3.96Å; V96-K100 VanDerWaalsContact O-CB 3.29Å; V96-K100 WeakPolarHBondContact O-CB 3.48Å; V96-K100 VanDerWaalsContact O-CG 3.22Å; V96-K100 WeakPolarHBondContact O-CG 3.39Å; V96-K100 PolarHBondContact O-N 3.04Å; V96-K100 VanDerWaalsContact O-N 3.11Å |
| 97 | A | 96.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 91.8 Ų | 91.8 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R93 Q94 I95 K99 K100 K101 | R93-A97 WeakPolarHBondContact O-CB 3.29Å; R93-A97 PolarHBondContact O-N 3.26Å; Q94-A97 PolarHBondContact O-N 3.44Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.9Å; A97-K99 PolarHBondContact O-N 3.11Å; A97-K100 PolarHBondContact O-N 3.11Å; A97-K100 VanDerWaalsContact O-N 3.11Å; A97-K101 PolarHBondContact O-N 2.93Å |
| 98 | L | 95.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 94.9 Ų | 94.9 | 15% | 0.147 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.1 | -72.9 | 170.4 | 0 | 0 | 0 | 112 | Q94 I95 K100 K101 N111 R114 A115 L118 | Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 WeakPolarHBondContact O-CG 3.35Å; Q94-L98 PolarHBondContact O-N 3.41Å; I95-L98 PolarHBondContact O-N 3.02Å; L98-K100 PolarHBondContact O-N 3.48Å; L98-K101 PolarHBondContact O-N 2.99Å; L98-N111 HydrophobicContact CD2-CB 4.16Å; L98-R114 HydrophobicContact CD1-CB 3.83Å; L98-A115 HydrophobicContact CB-CB 4.11Å; L98-A115 HydrophobicContact CD1-CB 4.28Å; L98-L118 HydrophobicContact CD1-CD1 3.96Å |
| 99 | K | 93.3 | Very high | 94.6 | Very high | 149 Ų | 149 | 98 Ų | 98 | 65% | 0.648 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.3 | -11.4 | 176 | -65.4 | -171.5 | 69.7 | 162.8 | 0 | 114.1 | I95 A97 A115 | I95-K99 HydrophobicContact CG2-CD 4.32Å; I95-K99 WeakPolarHBondContact O-CG 3.34Å; I95-K99 PolarHBondContact O-N 3.34Å; A97-K99 PolarHBondContact O-N 3.11Å; K99-A115 HydrophobicContact CG-CB 4Å |
| 100 | K | 93.6 | Very high | 94.4 | Very high | 158 Ų | 158 | 97.5 Ų | 97.5 | 69% | 0.687 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -97.9 | -19.4 | 174.6 | -79.7 | 179.9 | 176.6 | -173.9 | 0 | 113.9 | V96 A97 L98 K102 | V96-K100 HydrophobicContact CG1-CD 3.96Å; V96-K100 VanDerWaalsContact O-CB 3.29Å; V96-K100 WeakPolarHBondContact O-CB 3.48Å; V96-K100 VanDerWaalsContact O-CG 3.22Å; V96-K100 WeakPolarHBondContact O-CG 3.39Å; V96-K100 PolarHBondContact O-N 3.04Å; V96-K100 VanDerWaalsContact O-N 3.11Å; A97-K100 PolarHBondContact O-N 3.11Å; A97-K100 VanDerWaalsContact O-N 3.11Å; L98-K100 PolarHBondContact O-N 3.48Å; K100-K102 PolarHBondContact O-N 2.97Å |
| 101 | K | 93.9 | Very high | 94.4 | Very high | 122 Ų | 122 | 92.5 Ų | 92.5 | 53% | 0.53 | 45% | 0.449 | S | S | . | . | trans | -60.7 | 134.7 | 171.3 | -73 | -173 | 178.4 | -166.7 | 0 | 108.8 | A97 L98 | A97-K101 PolarHBondContact O-N 2.93Å; L98-K101 PolarHBondContact O-N 2.99Å | ||
| 102 | K | 91.3 | Very high | 94.3 | Very high | 198 Ų | 198 | 97.5 Ų | 97.5 | 86% | 0.861 | 47% | 0.473 | S | S | * | . | trans | -120.5 | 137.3 | 171.7 | -63.5 | -173.2 | -179.7 | -173.8 | 0 | 107.7 | K100 M108 | K100-K102 PolarHBondContact O-N 2.97Å; K102-M108 VanDerWaalsContact CA-SD 3.59Å | ||
| 103 | G | 89.3 | Confident | 94.2 | Very high | 48 Ų | 48 | 100 Ų | 100 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | trans | -172.4 | -158.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 104 | K | 92.2 | Very high | 94 | Very high | 154 Ų | 154 | 99.7 Ų | 99.7 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | trans | -61.4 | 149.2 | 174.9 | -61.5 | 178.8 | -171.4 | 162.5 | 0 | 110.2 | A106 E107 M108 | K104-A106 VanDerWaalsContact C-N 3.34Å; K104-A106 PolarHBondContact O-N 3.05Å; K104-E107 HydrophobicContact CB-CG 4.2Å; K104-E107 WeakPolarHBondContact CD-OE1 3.31Å; K104-E107 CarbonylContact O-C 3.58Å; K104-E107 WeakPolarHBondContact O-CA 3.38Å; K104-E107 WeakPolarHBondContact O-CB 3.42Å; K104-E107 PolarHBondContact O-N 3.33Å; K104-M108 PolarHBondContact O-N 3.49Å | ||
| 105 | E | 91.6 | Very high | 94 | Very high | 169 Ų | 169 | 95.9 Ų | 95.9 | 79% | 0.79 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.1 | -44.3 | -176.5 | -174 | 167.1 | -148.9 | 0 | 0 | 113.1 | E107 M108 E109 | E105-E107 PolarHBondContact O-N 3.12Å; E105-M108 WeakPolarHBondContact O-CB 3.5Å; E105-M108 PolarHBondContact O-N 2.79Å; E105-M108 VanDerWaalsContact O-N 3.14Å; E105-E109 WeakPolarHBondContact O-CB 3.43Å; E105-E109 PolarHBondContact O-N 3.37Å |
| 106 | A | 92.2 | Very high | 94 | Very high | 54 Ų | 54 | 99 Ų | 99 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -29.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K104 R110 | K104-A106 VanDerWaalsContact C-N 3.34Å; K104-A106 PolarHBondContact O-N 3.05Å; A106-R110 VanDerWaalsContact O-CB 3.31Å; A106-R110 WeakPolarHBondContact O-CB 3.47Å; A106-R110 VanDerWaalsContact O-CD 3.23Å; A106-R110 WeakPolarHBondContact O-CD 3.44Å; A106-R110 WeakPolarHBondContact O-CG 3.34Å; A106-R110 PolarHBondContact O-N 3.3Å; A106-R110 VanDerWaalsContact O-N 3.11Å |
| 107 | E | 93.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 101.9 Ų | 101.9 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -78.4 | -38 | 174.4 | -64.9 | 164.6 | -158.7 | 0 | 0 | 111.6 | K104 E105 R110 N111 | K104-E107 HydrophobicContact CB-CG 4.2Å; K104-E107 WeakPolarHBondContact CD-OE1 3.31Å; K104-E107 CarbonylContact O-C 3.58Å; K104-E107 WeakPolarHBondContact O-CA 3.38Å; K104-E107 WeakPolarHBondContact O-CB 3.42Å; K104-E107 PolarHBondContact O-N 3.33Å; E105-E107 PolarHBondContact O-N 3.12Å; E107-R110 PolarHBondContact O-N 3.4Å; E107-N111 VanDerWaalsContact O-CB 3.29Å; E107-N111 WeakPolarHBondContact O-CB 3.48Å; E107-N111 PolarHBondContact O-N 2.95Å; E107-N111 PolarHBondContact O-ND2 3.27Å |
| 108 | M | 92.4 | Very high | 93.8 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.2 | -52.5 | 171.6 | -68.5 | -63.9 | -65.3 | 0 | 0 | 110.4 | K102 K104 E105 R110 N111 Q112 | K102-M108 VanDerWaalsContact CA-SD 3.59Å; K104-M108 PolarHBondContact O-N 3.49Å; E105-M108 WeakPolarHBondContact O-CB 3.5Å; E105-M108 PolarHBondContact O-N 2.79Å; E105-M108 VanDerWaalsContact O-N 3.14Å; M108-R110 PolarHBondContact O-N 2.97Å; M108-N111 CarbonylContact O-C 3.56Å; M108-N111 PolarHBondContact O-N 2.87Å; M108-N111 VanDerWaalsContact O-N 3.14Å; M108-Q112 WeakPolarHBondContact O-CB 3.36Å; M108-Q112 PolarHBondContact O-N 3.3Å |
| 109 | E | 95 | Very high | 93.8 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -178.3 | -160.8 | -153.9 | -160.6 | 0 | 0 | 111.8 | E105 N111 Q112 R113 | E105-E109 WeakPolarHBondContact O-CB 3.43Å; E105-E109 PolarHBondContact O-N 3.37Å; E109-N111 PolarHBondContact O-N 3.06Å; E109-Q112 PolarHBondContact O-N 2.85Å; E109-R113 VanDerWaalsContact CD-CZ 3.4Å; E109-R113 WeakPolarHBondContact O-CG 3.47Å; E109-R113 PolarHBondContact O-N 2.98Å; E109-R113 IonicContact OE1-CZ 2.75Å; E109-R113 IonicContact OE1-NH1 2.82Å; E109-R113 PolarHBondContact OE1-NH1 2.88Å; E109-R113 IonicContact OE1-NH2 3.27Å; E109-R113 PolarHBondContact OE1-NH2 2.87Å; E109-R113 IonicContact OE2-CZ 2.68Å; E109-R113 IonicContact OE2-NH1 3.42Å; E109-R113 PolarHBondContact OE2-NH1 3.49Å; E109-R113 IonicContact OE2-NH2 3.18Å; E109-R113 PolarHBondContact OE2-NH2 3.38Å |
| 110 | R | 94.8 | Very high | 93.9 | Very high | 162 Ų | 162 | 100 Ų | 100 | 61% | 0.611 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 171.5 | -74.9 | 167.4 | -176.6 | -168.5 | -0.9 | 112.5 | A106 E107 M108 R114 | A106-R110 VanDerWaalsContact O-CB 3.31Å; A106-R110 WeakPolarHBondContact O-CB 3.47Å; A106-R110 VanDerWaalsContact O-CD 3.23Å; A106-R110 WeakPolarHBondContact O-CD 3.44Å; A106-R110 WeakPolarHBondContact O-CG 3.34Å; A106-R110 PolarHBondContact O-N 3.3Å; A106-R110 VanDerWaalsContact O-N 3.11Å; E107-R110 PolarHBondContact O-N 3.4Å; M108-R110 PolarHBondContact O-N 2.97Å; R110-R114 WeakPolarHBondContact O-CD 3.48Å; R110-R114 VanDerWaalsContact O-CG 3.27Å; R110-R114 WeakPolarHBondContact O-CG 3.3Å; R110-R114 PolarHBondContact O-N 3.25Å; R110-R114 VanDerWaalsContact O-N 3.17Å |
| 111 | N | 95.2 | Very high | 94 | Very high | 21 Ų | 21 | 92.7 Ų | 92.7 | 11% | 0.112 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -73.6 | -33.8 | 177.2 | -73.5 | -37.9 | 0 | 0 | 0 | 112.2 | L98 E107 M108 E109 R114 A115 | L98-N111 HydrophobicContact CD2-CB 4.16Å; E107-N111 VanDerWaalsContact O-CB 3.29Å; E107-N111 WeakPolarHBondContact O-CB 3.48Å; E107-N111 PolarHBondContact O-N 2.95Å; E107-N111 PolarHBondContact O-ND2 3.27Å; M108-N111 CarbonylContact O-C 3.56Å; M108-N111 PolarHBondContact O-N 2.87Å; M108-N111 VanDerWaalsContact O-N 3.14Å; E109-N111 PolarHBondContact O-N 3.06Å; N111-R114 WeakPolarHBondContact O-CB 3.4Å; N111-R114 PolarHBondContact O-N 3.05Å; N111-A115 WeakPolarHBondContact O-CB 3.27Å; N111-A115 PolarHBondContact O-N 3.44Å |
| 112 | Q | 94.3 | Very high | 94.1 | Very high | 108 Ų | 108 | 87.2 Ų | 87.2 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -51.7 | 172 | 175.2 | 162.8 | -15.6 | 0 | 0 | 111.1 | M108 E109 R114 A115 E116 | M108-Q112 WeakPolarHBondContact O-CB 3.36Å; M108-Q112 PolarHBondContact O-N 3.3Å; E109-Q112 PolarHBondContact O-N 2.85Å; Q112-R114 PolarHBondContact O-N 3.29Å; Q112-R114 VanDerWaalsContact O-N 3.08Å; Q112-A115 CarbonylContact O-C 3.54Å; Q112-A115 WeakPolarHBondContact O-CA 3.48Å; Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 2.95Å; Q112-E116 VanDerWaalsContact CG-CD 3.47Å; Q112-E116 HydrophobicContact CG-CG 4.39Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.23Å; Q112-E116 PolarHBondContact NE2-OE1 3.21Å; Q112-E116 WeakPolarHBondContact O-CG 3.08Å; Q112-E116 PolarHBondContact O-N 3.32Å |
| 113 | R | 95.8 | Very high | 94.4 | Very high | 118 Ų | 118 | 82.2 Ų | 82.2 | 45% | 0.445 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -21.1 | 173.3 | -68.4 | -170.6 | -171.5 | 99 | -3.1 | 114.1 | E109 E116 R117 | E109-R113 VanDerWaalsContact CD-CZ 3.4Å; E109-R113 WeakPolarHBondContact O-CG 3.47Å; E109-R113 PolarHBondContact O-N 2.98Å; E109-R113 IonicContact OE1-CZ 2.75Å; E109-R113 IonicContact OE1-NH1 2.82Å; E109-R113 PolarHBondContact OE1-NH1 2.88Å; E109-R113 IonicContact OE1-NH2 3.27Å; E109-R113 PolarHBondContact OE1-NH2 2.87Å; E109-R113 IonicContact OE2-CZ 2.68Å; E109-R113 IonicContact OE2-NH1 3.42Å; E109-R113 PolarHBondContact OE2-NH1 3.49Å; E109-R113 IonicContact OE2-NH2 3.18Å; E109-R113 PolarHBondContact OE2-NH2 3.38Å; R113-E116 WeakPolarHBondContact CA-OE2 3.42Å; R113-E116 PolarHBondContact N-OE2 3.14Å; R113-R117 PolarHBondContact O-NE 2.9Å |
| 114 | R | 94.1 | Very high | 94.7 | Very high | 139 Ų | 139 | 80.8 Ų | 80.8 | 53% | 0.525 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -79.8 | -42.4 | 170.6 | -76.1 | 166.5 | 169.4 | 175.1 | -5.7 | 111.2 | L98 R110 N111 Q112 L118 | L98-R114 HydrophobicContact CD1-CB 3.83Å; R110-R114 WeakPolarHBondContact O-CD 3.48Å; R110-R114 VanDerWaalsContact O-CG 3.27Å; R110-R114 WeakPolarHBondContact O-CG 3.3Å; R110-R114 PolarHBondContact O-N 3.25Å; R110-R114 VanDerWaalsContact O-N 3.17Å; N111-R114 WeakPolarHBondContact O-CB 3.4Å; N111-R114 PolarHBondContact O-N 3.05Å; Q112-R114 PolarHBondContact O-N 3.29Å; Q112-R114 VanDerWaalsContact O-N 3.08Å; R114-L118 WeakPolarHBondContact O-CG 3.08Å; R114-L118 PolarHBondContact O-N 3.05Å; R114-L118 VanDerWaalsContact O-N 3.12Å |
| 115 | A | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I95 L98 K99 N111 Q112 L118 L119 | I95-A115 HydrophobicContact CG2-CB 4.33Å; L98-A115 HydrophobicContact CB-CB 4.11Å; L98-A115 HydrophobicContact CD1-CB 4.28Å; K99-A115 HydrophobicContact CG-CB 4Å; N111-A115 WeakPolarHBondContact O-CB 3.27Å; N111-A115 PolarHBondContact O-N 3.44Å; Q112-A115 CarbonylContact O-C 3.54Å; Q112-A115 WeakPolarHBondContact O-CA 3.48Å; Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 2.95Å; A115-L118 PolarHBondContact O-N 2.84Å; A115-L119 WeakPolarHBondContact O-CG 3.18Å; A115-L119 PolarHBondContact O-N 2.91Å |
| 116 | E | 96.1 | Very high | 95 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -49 | 177.5 | -73.5 | 155.6 | 171 | 0 | 0 | 111.7 | Q112 R113 L118 L119 E120 | Q112-E116 VanDerWaalsContact CG-CD 3.47Å; Q112-E116 HydrophobicContact CG-CG 4.39Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.23Å; Q112-E116 PolarHBondContact NE2-OE1 3.21Å; Q112-E116 WeakPolarHBondContact O-CG 3.08Å; Q112-E116 PolarHBondContact O-N 3.32Å; R113-E116 WeakPolarHBondContact CA-OE2 3.42Å; R113-E116 PolarHBondContact N-OE2 3.14Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.49Å; E116-L119 CarbonylContact O-C 3.59Å; E116-L119 WeakPolarHBondContact O-CA 3.41Å; E116-L119 WeakPolarHBondContact O-CB 3.44Å; E116-L119 PolarHBondContact O-N 3.29Å; E116-E120 PolarHBondContact O-N 2.92Å |
| 117 | R | 94.3 | Very high | 95.1 | Very high | 127 Ų | 127 | 76.9 Ų | 76.9 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 172.8 | -74.3 | 179.8 | -70.8 | 168 | -6.2 | 113.2 | R113 L119 E121 M155 | R113-R117 PolarHBondContact O-NE 2.9Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-E121 WeakPolarHBondContact O-CB 3.32Å; R117-E121 PolarHBondContact O-N 3.14Å; R117-M155 HydrophobicContact CB-CE 4.37Å; R117-M155 WeakPolarHBondContact O-CE 3.43Å |
| 118 | L | 95.7 | Very high | 95.2 | Very high | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.2 | -31.1 | 172.8 | -70.6 | 178.9 | 0 | 0 | 0 | 112.5 | L91 Q94 I95 L98 R114 A115 E116 V122 | L91-L118 HydrophobicContact CD2-CD2 4.36Å; Q94-L118 HydrophobicContact CB-CD1 4.12Å; I95-L118 HydrophobicContact CD1-CB 3.88Å; I95-L118 HydrophobicContact CG1-CB 3.6Å; I95-L118 HydrophobicContact CG1-CD1 4.32Å; L98-L118 HydrophobicContact CD1-CD1 3.96Å; R114-L118 WeakPolarHBondContact O-CG 3.08Å; R114-L118 PolarHBondContact O-N 3.05Å; R114-L118 VanDerWaalsContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 2.84Å; E116-L118 VanDerWaalsContact C-N 3.29Å; E116-L118 PolarHBondContact O-N 3.49Å; L118-V122 WeakPolarHBondContact O-CG2 3.44Å; L118-V122 PolarHBondContact O-N 2.82Å |
| 119 | L | 96.2 | Very high | 95.3 | Very high | 63 Ų | 63 | 71.5 Ų | 71.5 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.4 | -46.6 | 173 | -78.7 | 164.2 | 0 | 0 | 0 | 111.4 | I95 A115 E116 R117 E121 V122 H123 | I95-L119 HydrophobicContact CD1-CD2 3.84Å; I95-L119 HydrophobicContact CD1-CG 3.81Å; I95-L119 HydrophobicContact CG1-CG 4.29Å; I95-L119 HydrophobicContact CG2-CD1 4.23Å; I95-L119 HydrophobicContact CG2-CD2 4.24Å; I95-L119 HydrophobicContact CG2-CG 4.07Å; A115-L119 WeakPolarHBondContact O-CG 3.18Å; A115-L119 PolarHBondContact O-N 2.91Å; E116-L119 CarbonylContact O-C 3.59Å; E116-L119 WeakPolarHBondContact O-CA 3.41Å; E116-L119 WeakPolarHBondContact O-CB 3.44Å; E116-L119 PolarHBondContact O-N 3.29Å; R117-L119 VanDerWaalsContact C-N 3.34Å; L119-E121 VanDerWaalsContact C-N 3.27Å; L119-E121 PolarHBondContact O-N 2.81Å; L119-V122 WeakPolarHBondContact O-CB 3.36Å; L119-V122 PolarHBondContact O-N 3.5Å; L119-V122 VanDerWaalsContact O-N 3.14Å; L119-H123 PolarHBondContact O-N 2.79Å; L119-H123 PolarHBondContact O-ND1 3.36Å |
| 120 | E | 95.3 | Very high | 95.4 | Very high | 98 Ų | 98 | 68.1 Ų | 68.1 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.6 | -47.4 | 172 | -71 | 162.2 | -165.8 | 0 | 0 | 110.9 | E116 V122 H123 S124 M155 | E116-E120 PolarHBondContact O-N 2.92Å; E120-V122 VanDerWaalsContact C-N 3.35Å; E120-V122 PolarHBondContact O-N 3.37Å; E120-H123 WeakPolarHBondContact O-CA 3.32Å; E120-H123 WeakPolarHBondContact O-CB 3.38Å; E120-H123 PolarHBondContact O-N 3.03Å; E120-S124 PolarHBondContact O-N 3.06Å; E120-M155 HydrophobicContact CB-CE 3.77Å |
| 121 | E | 94.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -36.1 | 179 | -157.2 | -178.9 | 160.1 | 0 | 0 | 112.2 | R117 L119 H123 S124 M125 M155 A159 R162 | R117-E121 WeakPolarHBondContact O-CB 3.32Å; R117-E121 PolarHBondContact O-N 3.14Å; L119-E121 VanDerWaalsContact C-N 3.27Å; L119-E121 PolarHBondContact O-N 2.81Å; E121-H123 VanDerWaalsContact C-N 3.3Å; E121-H123 PolarHBondContact O-N 2.98Å; E121-S124 PolarHBondContact O-N 2.71Å; E121-M125 WeakPolarHBondContact O-CB 3.47Å; E121-M125 VanDerWaalsContact O-CG 3.27Å; E121-M125 WeakPolarHBondContact O-CG 3.23Å; E121-M125 PolarHBondContact O-N 3.27Å; E121-M155 HydrophobicContact CB-CE 3.85Å; E121-M155 HydrophobicContact CG-CE 4.49Å; E121-A159 HydrophobicContact CG-CB 4.01Å; E121-R162 VanDerWaalsContact CD-NH2 3.33Å; E121-R162 IonicContact OE1-CZ 3.42Å; E121-R162 IonicContact OE1-NE 2.68Å; E121-R162 PolarHBondContact OE1-NE 3.01Å; E121-R162 IonicContact OE1-NH1 3.09Å; E121-R162 PolarHBondContact OE1-NH1 3.42Å; E121-R162 IonicContact OE1-NH2 3.36Å; E121-R162 PolarHBondContact OE1-NH2 2.88Å; E121-R162 VanDerWaalsContact OE1-NH2 3.12Å; E121-R162 IonicContact OE2-CZ 3.43Å; E121-R162 IonicContact OE2-NH1 2.69Å; E121-R162 PolarHBondContact OE2-NH1 3.35Å; E121-R162 IonicContact OE2-NH2 3.33Å; E121-R162 PolarHBondContact OE2-NH2 3.04Å |
| 122 | V | 96.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | 170.5 | 164.8 | 0 | 0 | 0 | 0 | 111.7 | I88 L91 I95 L118 L119 E120 K126 | I88-V122 HydrophobicContact CG2-CG1 4.12Å; L91-V122 HydrophobicContact CB-CG2 3.65Å; L91-V122 HydrophobicContact CD1-CG2 3.76Å; L91-V122 HydrophobicContact CG-CG2 4.33Å; I95-V122 HydrophobicContact CD1-CG2 4.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.44Å; L118-V122 PolarHBondContact O-N 2.82Å; L119-V122 WeakPolarHBondContact O-CB 3.36Å; L119-V122 PolarHBondContact O-N 3.5Å; L119-V122 VanDerWaalsContact O-N 3.14Å; E120-V122 VanDerWaalsContact C-N 3.35Å; E120-V122 PolarHBondContact O-N 3.37Å; V122-K126 HydrophobicContact CG1-CD 4.48Å; V122-K126 VanDerWaalsContact O-CG 3.27Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.48Å |
| 123 | H | 96.5 | Very high | 95.4 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.8 | -42.5 | 173.9 | -68.5 | 97.7 | 0 | 0 | 0 | 112.1 | L119 E120 E121 K126 K127 | L119-H123 PolarHBondContact O-N 2.79Å; L119-H123 PolarHBondContact O-ND1 3.36Å; E120-H123 WeakPolarHBondContact O-CA 3.32Å; E120-H123 WeakPolarHBondContact O-CB 3.38Å; E120-H123 PolarHBondContact O-N 3.03Å; E121-H123 VanDerWaalsContact C-N 3.3Å; E121-H123 PolarHBondContact O-N 2.98Å; H123-K126 WeakPolarHBondContact O-CB 3.41Å; H123-K126 PolarHBondContact O-N 2.88Å; H123-K127 WeakPolarHBondContact O-CG 3.49Å; H123-K127 PolarHBondContact O-N 2.87Å |
| 124 | S | 95.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 170.7 | -74.4 | 0 | 0 | 0 | 0 | 111.5 | E120 E121 K126 K127 L128 M155 | E120-S124 PolarHBondContact O-N 3.06Å; E121-S124 PolarHBondContact O-N 2.71Å; S124-K126 VanDerWaalsContact C-N 3.29Å; S124-K126 PolarHBondContact O-N 3.38Å; S124-K127 PolarHBondContact O-N 3.4Å; S124-K127 VanDerWaalsContact O-N 3.08Å; S124-L128 WeakPolarHBondContact O-CG 3.48Å; S124-L128 PolarHBondContact O-N 2.82Å; S124-M155 VanDerWaalsContact CB-O 3.24Å; S124-M155 WeakPolarHBondContact CB-O 3.4Å; S124-M155 PolarHBondContact OG-O 2.75Å |
| 125 | M | 95 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.9 | -42 | 173.9 | -78.4 | -165.5 | 76.2 | 0 | 0 | 112.5 | K84 I87 I88 L91 E121 A159 I163 | K84-M125 HydrophobicContact CB-CE 4.46Å; K84-M125 WeakPolarHBondContact CD-O 3.46Å; K84-M125 WeakPolarHBondContact CE-O 3.35Å; K84-M125 HydrophobicContact CG-CE 4.33Å; K84-M125 PolarHBondContact NZ-O 2.92Å; I87-M125 HydrophobicContact CB-CE 3.79Å; I87-M125 HydrophobicContact CB-SD 4.38Å; I87-M125 HydrophobicContact CD1-CE 4.37Å; I87-M125 HydrophobicContact CG2-CE 3.58Å; I87-M125 HydrophobicContact CG2-SD 3.57Å; I87-M125 VanDerWaalsContact CG2-SD 3.57Å; I88-M125 HydrophobicContact CD1-CB 4.19Å; I88-M125 HydrophobicContact CG1-CB 4.16Å; I88-M125 HydrophobicContact CG1-CE 4.02Å; I88-M125 HydrophobicContact CG1-SD 3.97Å; L91-M125 HydrophobicContact CD1-SD 3.72Å; E121-M125 WeakPolarHBondContact O-CB 3.47Å; E121-M125 VanDerWaalsContact O-CG 3.27Å; E121-M125 WeakPolarHBondContact O-CG 3.23Å; E121-M125 PolarHBondContact O-N 3.27Å; M125-A159 HydrophobicContact CB-CB 4.46Å; M125-A159 HydrophobicContact CG-CB 3.61Å; M125-I163 HydrophobicContact CE-CD1 3.86Å; M125-I163 HydrophobicContact CE-CG1 3.68Å |
| 126 | K | 94.9 | Very high | 95.2 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 52% | 0.522 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.2 | -77.8 | 170.7 | -179.2 | 180 | 0 | 111.7 | K84 I88 V122 H123 S124 | K84-K126 PolarHBondContact NZ-O 3.28Å; I88-K126 HydrophobicContact CD1-CG 4.23Å; V122-K126 HydrophobicContact CG1-CD 4.48Å; V122-K126 VanDerWaalsContact O-CG 3.27Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.48Å; H123-K126 WeakPolarHBondContact O-CB 3.41Å; H123-K126 PolarHBondContact O-N 2.88Å; S124-K126 VanDerWaalsContact C-N 3.29Å; S124-K126 PolarHBondContact O-N 3.38Å |
| 127 | K | 94.9 | Very high | 95.1 | Very high | 175 Ų | 175 | 51.4 Ų | 51.4 | 76% | 0.761 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.2 | -42.5 | -178.6 | -71.1 | 178.3 | 177.6 | -174 | 0 | 114.1 | H123 S124 S129 | H123-K127 WeakPolarHBondContact O-CG 3.49Å; H123-K127 PolarHBondContact O-N 2.87Å; S124-K127 PolarHBondContact O-N 3.4Å; S124-K127 VanDerWaalsContact O-N 3.08Å; K127-S129 PolarHBondContact O-N 3.2Å |
| 128 | L | 94.6 | Very high | 95 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -52.3 | 131.7 | -175.8 | -74.6 | 169.9 | 0 | 0 | 0 | 113.8 | K84 S124 V133 L156 A159 T160 I163 | K84-L128 PolarHBondContact NZ-O 3.16Å; S124-L128 WeakPolarHBondContact O-CG 3.48Å; S124-L128 PolarHBondContact O-N 2.82Å; L128-V133 HydrophobicContact CB-CG2 4.06Å; L128-V133 HydrophobicContact CD1-CG2 4.21Å; L128-L156 HydrophobicContact CD2-CB 4.49Å; L128-L156 HydrophobicContact CD2-CD2 3.93Å; L128-L156 HydrophobicContact CG-CD2 4.09Å; L128-A159 HydrophobicContact CD1-CB 3.68Å; L128-T160 VanDerWaalsContact CD1-OG1 3.27Å; L128-T160 WeakPolarHBondContact CD1-OG1 3.5Å; L128-T160 WeakPolarHBondContact CD2-OG1 3.22Å; L128-I163 HydrophobicContact CD1-CD1 4.39Å |
| 129 | S | 95.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | trans | -77.8 | 150.3 | 174.3 | 96.1 | 0 | 0 | 0 | 0 | 111.7 | K127 D131 E132 V133 | K127-S129 PolarHBondContact O-N 3.2Å; S129-D131 PolarHBondContact O-N 3.02Å; S129-D131 PolarHBondContact OG-N 3.43Å; S129-E132 WeakPolarHBondContact CB-OE1 3.32Å; S129-E132 PolarHBondContact N-OE2 3.49Å; S129-E132 PolarHBondContact OG-N 3.27Å; S129-E132 PolarHBondContact OG-OE1 3.11Å; S129-E132 PolarHBondContact OG-OE2 3.41Å; S129-V133 WeakPolarHBondContact O-CG2 3.46Å; S129-V133 PolarHBondContact O-N 3.15Å | ||
| 130 | P | 96 | Very high | 94.4 | Very high | 25 Ų | 25 | 54 Ų | 54 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -26.6 | 177.4 | -23.8 | 35.2 | 0 | 0 | 0 | 114.1 | R77 V80 K81 T134 | R77-P130 HydrophobicContact CB-CB 4.31Å; R77-P130 HydrophobicContact CG-CB 4.2Å; V80-P130 HydrophobicContact CB-CB 4.11Å; V80-P130 HydrophobicContact CG1-CB 4.06Å; K81-P130 HydrophobicContact CG-CG 4.19Å; P130-T134 PolarHBondContact O-N 3.19Å; P130-T134 VanDerWaalsContact O-N 3.11Å; P130-T134 PolarHBondContact O-OG1 2.8Å |
| 131 | D | 94.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -87.7 | -31.6 | -174 | -59 | -25.2 | 0 | 0 | 0 | 112 | V73 R77 S129 R135 | V73-D131 HydrophobicContact CG1-CB 4.47Å; R77-D131 WeakPolarHBondContact CG-OD1 3.4Å; R77-D131 IonicContact CZ-OD1 2.64Å; R77-D131 IonicContact CZ-OD2 3.29Å; R77-D131 VanDerWaalsContact CZ-OD2 3.28Å; R77-D131 VanDerWaalsContact NE-CG 3.34Å; R77-D131 IonicContact NE-OD1 2.73Å; R77-D131 PolarHBondContact NE-OD1 2.86Å; R77-D131 IonicContact NE-OD2 2.74Å; R77-D131 PolarHBondContact NE-OD2 2.8Å; R77-D131 VanDerWaalsContact NE-OD2 3.07Å; R77-D131 IonicContact NH2-OD1 2.68Å; R77-D131 IonicContact NH2-OD2 2.88Å; R77-D131 PolarHBondContact NH2-OD2 2.99Å; S129-D131 PolarHBondContact O-N 3.02Å; S129-D131 PolarHBondContact OG-N 3.43Å; D131-R135 WeakPolarHBondContact O-CB 3.46Å; D131-R135 VanDerWaalsContact O-CG 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.48Å; D131-R135 PolarHBondContact O-N 3.01Å; D131-R135 PolarHBondContact O-NE 3.31Å |
| 132 | E | 94 | Very high | 93.2 | Very high | 83 Ų | 83 | 58.1 Ų | 58.1 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 164.6 | -78.8 | 124.4 | -120 | 0 | 0 | 110.6 | S129 T134 R135 T136 | S129-E132 WeakPolarHBondContact CB-OE1 3.32Å; S129-E132 PolarHBondContact N-OE2 3.49Å; S129-E132 PolarHBondContact OG-N 3.27Å; S129-E132 PolarHBondContact OG-OE1 3.11Å; S129-E132 PolarHBondContact OG-OE2 3.41Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 3.35Å; E132-R135 PolarHBondContact O-N 3.12Å; E132-T136 WeakPolarHBondContact O-CB 3.29Å; E132-T136 WeakPolarHBondContact O-CG2 3.46Å; E132-T136 PolarHBondContact O-N 3.4Å; E132-T136 PolarHBondContact O-OG1 2.92Å |
| 133 | V | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | -177.6 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | V80 L128 S129 T136 A137 T160 I163 F169 | V80-V133 HydrophobicContact CG1-CB 4.17Å; V80-V133 HydrophobicContact CG1-CG1 4.08Å; V80-V133 HydrophobicContact CG2-CG1 4.27Å; L128-V133 HydrophobicContact CB-CG2 4.06Å; L128-V133 HydrophobicContact CD1-CG2 4.21Å; S129-V133 WeakPolarHBondContact O-CG2 3.46Å; S129-V133 PolarHBondContact O-N 3.15Å; V133-T136 PolarHBondContact O-OG1 3.14Å; V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 3.08Å; V133-A137 VanDerWaalsContact O-N 3.13Å; V133-T160 HydrophobicContact CG2-CG2 4.37Å; V133-I163 HydrophobicContact CG1-CB 3.91Å; V133-I163 HydrophobicContact CG1-CD1 4.31Å; V133-I163 HydrophobicContact CG1-CG2 3.57Å; V133-I163 HydrophobicContact CG2-CD1 4.16Å; V133-F169 HydrophobicContact CG1-CE1 4.49Å; V133-F169 HydrophobicContact CG1-CZ 4.25Å |
| 134 | T | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.9 | -44.5 | 177.1 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | V73 M76 P130 E132 A137 L138 I173 | V73-T134 HydrophobicContact CB-CG2 4.38Å; V73-T134 HydrophobicContact CG1-CG2 4.36Å; V73-T134 HydrophobicContact CG2-CG2 3.94Å; M76-T134 HydrophobicContact CB-CG2 3.69Å; M76-T134 HydrophobicContact CG-CG2 4.03Å; P130-T134 PolarHBondContact O-N 3.19Å; P130-T134 VanDerWaalsContact O-N 3.11Å; P130-T134 PolarHBondContact O-OG1 2.8Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 3.35Å; T134-A137 PolarHBondContact O-N 2.96Å; T134-L138 HydrophobicContact CG2-CD1 4.16Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.35Å; T134-L138 PolarHBondContact O-N 2.86Å; T134-I173 HydrophobicContact CG2-CD1 4.17Å |
| 135 | R | 94.1 | Very high | 92 | Very high | 120 Ų | 120 | 64 Ų | 64 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -52.7 | 177 | -77 | 177.2 | -69.6 | 160.8 | -2.8 | 112 | D131 E132 A137 L138 E139 | D131-R135 WeakPolarHBondContact O-CB 3.46Å; D131-R135 VanDerWaalsContact O-CG 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.48Å; D131-R135 PolarHBondContact O-N 3.01Å; D131-R135 PolarHBondContact O-NE 3.31Å; E132-R135 PolarHBondContact O-N 3.12Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.17Å; R135-L138 WeakPolarHBondContact O-CB 3.43Å; R135-L138 PolarHBondContact O-N 2.96Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 VanDerWaalsContact O-CG 3.25Å; R135-E139 WeakPolarHBondContact O-CG 3.48Å; R135-E139 PolarHBondContact O-N 3.47Å |
| 136 | T | 93.9 | Very high | 91.5 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.202 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 178.6 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | E132 V133 K140 T160 | E132-T136 WeakPolarHBondContact O-CB 3.29Å; E132-T136 WeakPolarHBondContact O-CG2 3.46Å; E132-T136 PolarHBondContact O-N 3.4Å; E132-T136 PolarHBondContact O-OG1 2.92Å; V133-T136 PolarHBondContact O-OG1 3.14Å; T136-K140 WeakPolarHBondContact O-CB 3.02Å; T136-K140 PolarHBondContact O-N 2.68Å; T136-T160 VanDerWaalsContact OG1-CG2 3.3Å; T136-T160 WeakPolarHBondContact OG1-CG2 3.45Å |
| 137 | A | 94.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.1 | -24.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V133 T134 R135 A164 F169 I173 R177 | V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 3.08Å; V133-A137 VanDerWaalsContact O-N 3.13Å; T134-A137 PolarHBondContact O-N 2.96Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.17Å; A137-A164 HydrophobicContact CB-CB 3.97Å; A137-F169 HydrophobicContact CB-CE1 3.55Å; A137-F169 HydrophobicContact CB-CZ 3.93Å; A137-I173 HydrophobicContact CB-CD1 4.07Å; A137-I173 HydrophobicContact CB-CG1 4.24Å; A137-I173 VanDerWaalsContact O-CG2 3.28Å; A137-I173 WeakPolarHBondContact O-CG2 3.45Å; A137-R177 PolarHBondContact O-NH2 2.86Å |
| 138 | L | 92.2 | Very high | 90.9 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.5 | -46.7 | 170 | -72.6 | 164.7 | 0 | 0 | 0 | 110.8 | L69 V73 T134 R135 I173 I176 R177 | L69-L138 HydrophobicContact CD1-CD1 3.99Å; V73-L138 HydrophobicContact CG2-CD1 3.92Å; T134-L138 HydrophobicContact CG2-CD1 4.16Å; T134-L138 VanDerWaalsContact O-CG 3.32Å; T134-L138 WeakPolarHBondContact O-CG 3.35Å; T134-L138 PolarHBondContact O-N 2.86Å; R135-L138 WeakPolarHBondContact O-CB 3.43Å; R135-L138 PolarHBondContact O-N 2.96Å; L138-I173 HydrophobicContact CD2-CD1 4.01Å; L138-I173 HydrophobicContact CD2-CG2 4.35Å; L138-I173 HydrophobicContact CG-CD1 3.96Å; L138-I176 HydrophobicContact CD2-CB 4.08Å; L138-I176 HydrophobicContact CD2-CG2 3.63Å; L138-R177 HydrophobicContact CD2-CG 4.38Å; L138-R177 PolarHBondContact O-NE 3.3Å; L138-R177 PolarHBondContact O-NH2 3.5Å |
| 139 | E | 90.7 | Very high | 90.7 | Very high | 128 Ų | 128 | 63.6 Ų | 63.6 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | -179.4 | -69.9 | 158.9 | -159.4 | 0 | 0 | 113.6 | R135 | R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 VanDerWaalsContact O-CG 3.25Å; R135-E139 WeakPolarHBondContact O-CG 3.48Å; R135-E139 PolarHBondContact O-N 3.47Å |
| 140 | K | 87.5 | Confident | 90.3 | Very high | 113 Ų | 113 | 66.4 Ų | 66.4 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -122.5 | 141.2 | -167.3 | -58.7 | 176.1 | -173.5 | 177 | 0 | 111.6 | T136 L142 R177 | T136-K140 WeakPolarHBondContact O-CB 3.02Å; T136-K140 PolarHBondContact O-N 2.68Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 HydrophobicContact CB-CD2 3.82Å; K140-L142 HydrophobicContact CB-CG 3.82Å; K140-L142 HydrophobicContact CD-CD2 4.31Å; K140-L142 PolarHBondContact O-N 3.43Å; K140-R177 VanDerWaalsContact C-NH2 3.28Å; K140-R177 PolarHBondContact O-NH2 3.11Å |
| 141 | N | 82.6 | Confident | 89.8 | Confident | 144 Ų | 144 | 71.3 Ų | 71.3 | 77% | 0.77 | 36% | 0.363 | S | S | * | . | trans | -82.2 | 72.1 | 171.9 | -75.1 | -36.3 | 0 | 0 | 0 | 110.3 | N143 R177 | N141-N143 PolarHBondContact O-N 3.33Å; N141-R177 VanDerWaalsContact OD1-CZ 3.26Å; N141-R177 PolarHBondContact OD1-NH1 2.78Å; N141-R177 PolarHBondContact OD1-NH2 3.34Å | ||
| 142 | L | 82.4 | Confident | 89.5 | Confident | 45 Ų | 45 | 79.4 Ų | 79.4 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | trans | -79.1 | 98.5 | -176.6 | -60.9 | -179.2 | 0 | 0 | 0 | 111.9 | K140 T160 A161 A164 S165 | K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 HydrophobicContact CB-CD2 3.82Å; K140-L142 HydrophobicContact CB-CG 3.82Å; K140-L142 HydrophobicContact CD-CD2 4.31Å; K140-L142 PolarHBondContact O-N 3.43Å; L142-T160 HydrophobicContact CD1-CG2 4.14Å; L142-A161 HydrophobicContact CB-CB 4.12Å; L142-A164 HydrophobicContact CB-CB 4.21Å; L142-S165 PolarHBondContact O-OG 3.11Å | ||
| 143 | N | 87.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 76.6 Ų | 76.6 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | trans | -80.9 | 121.3 | 159.5 | -176.6 | -9.8 | 0 | 0 | 0 | 109.5 | N141 E145 C146 V147 | N141-N143 PolarHBondContact O-N 3.33Å; N143-E145 PolarHBondContact O-N 3.14Å; N143-E145 PolarHBondContact OD1-N 2.96Å; N143-C146 HydrophobicContact CB-CB 4.45Å; N143-C146 PolarHBondContact O-N 3.44Å; N143-V147 PolarHBondContact O-N 2.75Å | ||
| 144 | F | 87.9 | Confident | 89.1 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 22% | 0.219 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -49.2 | -37.2 | 174.1 | 167.6 | -105.3 | 0 | 0 | 0 | 114.1 | V147 C148 R158 R162 S165 | F144-V147 PolarHBondContact O-N 2.95Å; F144-C148 WeakPolarHBondContact CE2-SG 3.37Å; F144-C148 WeakPolarHBondContact CZ-SG 3.27Å; F144-C148 PolarHBondContact O-N 3.44Å; F144-C148 PolarHBondContact O-SG 3.04Å; F144-R158 HydrophobicContact CD2-CG 4.46Å; F144-R158 HydrophobicContact CE2-CG 3.93Å; F144-R162 HydrophobicContact CD2-CB 3.59Å; F144-R162 HydrophobicContact CD2-CG 4.07Å; F144-R162 HydrophobicContact CE2-CB 3.94Å; F144-R162 HydrophobicContact CE2-CG 4.19Å; F144-R162 HydrophobicContact CG-CB 4.37Å; F144-S165 WeakPolarHBondContact CB-OG 3.44Å; F144-S165 PolarHBondContact N-OG 3.22Å |
| 145 | E | 89.1 | Confident | 89 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.542 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.3 | -44.4 | -175.9 | -65.2 | -178.5 | -172.1 | 0 | 0 | 112.5 | N143 V147 C148 K149 | N143-E145 PolarHBondContact O-N 3.14Å; N143-E145 PolarHBondContact OD1-N 2.96Å; E145-V147 VanDerWaalsContact C-N 3.27Å; E145-V147 PolarHBondContact O-N 2.86Å; E145-C148 WeakPolarHBondContact O-CA 3.49Å; E145-C148 WeakPolarHBondContact O-CB 3.31Å; E145-C148 PolarHBondContact O-N 2.95Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.68Å |
| 146 | C | 85.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 46% | 0.459 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 173.5 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | N143 C148 K149 N150 | N143-C146 HydrophobicContact CB-CB 4.45Å; N143-C146 PolarHBondContact O-N 3.44Å; C146-C148 VanDerWaalsContact C-N 3.3Å; C146-C148 PolarHBondContact O-N 2.92Å; C146-K149 PolarHBondContact O-N 2.91Å; C146-N150 PolarHBondContact O-N 3.19Å; C146-N150 PolarHBondContact O-ND2 3.39Å |
| 147 | V | 89.9 | Confident | 88.8 | Confident | 18 Ų | 18 | 81.8 Ų | 81.8 | 11% | 0.109 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.1 | -30.5 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 112 | N143 F144 E145 S153 D157 R158 A161 | N143-V147 PolarHBondContact O-N 2.75Å; F144-V147 PolarHBondContact O-N 2.95Å; E145-V147 VanDerWaalsContact C-N 3.27Å; E145-V147 PolarHBondContact O-N 2.86Å; V147-S153 WeakPolarHBondContact O-CB 3.2Å; V147-S153 PolarHBondContact O-OG 2.99Å; V147-D157 HydrophobicContact CG1-CB 4.11Å; V147-R158 HydrophobicContact CG1-CB 4.23Å; V147-A161 HydrophobicContact CB-CB 4.02Å; V147-A161 HydrophobicContact CG1-CB 4.21Å; V147-A161 HydrophobicContact CG2-CB 3.84Å |
| 148 | C | 86.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 32% | 0.324 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.9 | -35.4 | 172.8 | -71.7 | 0 | 0 | 0 | 0 | 114.1 | F144 E145 C146 | F144-C148 WeakPolarHBondContact CE2-SG 3.37Å; F144-C148 WeakPolarHBondContact CZ-SG 3.27Å; F144-C148 PolarHBondContact O-N 3.44Å; F144-C148 PolarHBondContact O-SG 3.04Å; E145-C148 WeakPolarHBondContact O-CA 3.49Å; E145-C148 WeakPolarHBondContact O-CB 3.31Å; E145-C148 PolarHBondContact O-N 2.95Å; C146-C148 VanDerWaalsContact C-N 3.3Å; C146-C148 PolarHBondContact O-N 2.92Å |
| 149 | K | 89.8 | Confident | 88.8 | Confident | 169 Ų | 169 | 82.3 Ų | 82.3 | 74% | 0.735 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.8 | -30.5 | 177.1 | -67.5 | 176.3 | -176.8 | 179.9 | 0 | 111.9 | E145 C146 P151 | E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.68Å; C146-K149 PolarHBondContact O-N 2.91Å; K149-P151 WeakPolarHBondContact O-CD 2.94Å |
| 150 | N | 87.9 | Confident | 89 | Confident | 90 Ų | 90 | 76.8 Ų | 76.8 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | trans | -71 | 118.5 | -177.7 | -73.9 | -19.1 | 0 | 0 | 0 | 113.3 | C146 K152 S153 | C146-N150 PolarHBondContact O-N 3.19Å; C146-N150 PolarHBondContact O-ND2 3.39Å; N150-K152 VanDerWaalsContact C-N 3.26Å; N150-K152 PolarHBondContact O-N 2.91Å; N150-S153 WeakPolarHBondContact O-CB 3.33Å; N150-S153 PolarHBondContact O-N 3.25Å; N150-S153 PolarHBondContact O-OG 3.17Å | ||
| 151 | P | 85.9 | Confident | 89.4 | Confident | 129 Ų | 129 | 71.4 Ų | 71.4 | 84% | 0.838 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -20.3 | -179.2 | 28.8 | -35.6 | 0 | 0 | 0 | 113.5 | K149 S153 | K149-P151 WeakPolarHBondContact O-CD 2.94Å; P151-S153 VanDerWaalsContact C-N 3.29Å |
| 152 | K | 88 | Confident | 89.9 | Confident | 203 Ų | 203 | 66.6 Ų | 66.6 | 88% | 0.883 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.3 | 175.1 | -60.3 | -178.9 | -178.9 | 178.2 | 0 | 113.6 | N150 | N150-K152 VanDerWaalsContact C-N 3.26Å; N150-K152 PolarHBondContact O-N 2.91Å |
| 153 | S | 88.3 | Confident | 90.5 | Very high | 24 Ų | 24 | 64.4 Ų | 64.4 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | trans | -73.8 | 129.2 | -178.7 | 58.1 | 0 | 0 | 0 | 0 | 112 | V147 N150 P151 R158 | V147-S153 WeakPolarHBondContact O-CB 3.2Å; V147-S153 PolarHBondContact O-OG 2.99Å; N150-S153 WeakPolarHBondContact O-CB 3.33Å; N150-S153 PolarHBondContact O-N 3.25Å; N150-S153 PolarHBondContact O-OG 3.17Å; P151-S153 VanDerWaalsContact C-N 3.29Å; S153-R158 PolarHBondContact OG-NH2 3.17Å | ||
| 154 | T | 92.9 | Very high | 90.9 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | trans | -78.9 | 161.2 | 169.7 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | L156 D157 R158 | T154-L156 PolarHBondContact O-N 3.11Å; T154-L156 PolarHBondContact OG1-N 2.69Å; T154-D157 VanDerWaalsContact CB-OD2 3.26Å; T154-D157 WeakPolarHBondContact CB-OD2 3.44Å; T154-D157 WeakPolarHBondContact CG2-OD2 3.47Å; T154-D157 PolarHBondContact N-OD2 3.48Å; T154-D157 PolarHBondContact O-N 2.74Å; T154-D157 VanDerWaalsContact OG1-CG 3.23Å; T154-D157 PolarHBondContact OG1-N 3.12Å; T154-D157 PolarHBondContact OG1-OD2 2.96Å; T154-R158 PolarHBondContact O-N 3.14Å | ||
| 155 | M | 91.5 | Very high | 91.2 | Very high | 40 Ų | 40 | 61 Ų | 61 | 20% | 0.197 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.6 | -16.3 | 172.5 | -63 | -62.5 | -87.2 | 0 | 0 | 112.7 | R117 E120 E121 S124 R158 A159 | R117-M155 HydrophobicContact CB-CE 4.37Å; R117-M155 WeakPolarHBondContact O-CE 3.43Å; E120-M155 HydrophobicContact CB-CE 3.77Å; E121-M155 HydrophobicContact CB-CE 3.85Å; E121-M155 HydrophobicContact CG-CE 4.49Å; S124-M155 VanDerWaalsContact CB-O 3.24Å; S124-M155 WeakPolarHBondContact CB-O 3.4Å; S124-M155 PolarHBondContact OG-O 2.75Å; M155-R158 PolarHBondContact SD-NH1 2.85Å; M155-A159 WeakPolarHBondContact O-CB 3.07Å; M155-A159 PolarHBondContact O-N 3.37Å |
| 156 | L | 91.9 | Very high | 91.5 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 41% | 0.408 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -77.9 | -43 | 170.4 | -69.9 | 166.2 | 0 | 0 | 0 | 111.1 | L128 T154 R158 A159 T160 | L128-L156 HydrophobicContact CD2-CB 4.49Å; L128-L156 HydrophobicContact CD2-CD2 3.93Å; L128-L156 HydrophobicContact CG-CD2 4.09Å; T154-L156 PolarHBondContact O-N 3.11Å; T154-L156 PolarHBondContact OG1-N 2.69Å; L156-R158 PolarHBondContact O-N 3.16Å; L156-A159 PolarHBondContact O-N 3.2Å; L156-T160 WeakPolarHBondContact O-CB 3.43Å; L156-T160 PolarHBondContact O-N 2.75Å; L156-T160 PolarHBondContact O-OG1 2.79Å |
| 157 | D | 92.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.1 | -58.7 | -59.4 | 0 | 0 | 0 | 110.9 | V147 T154 T160 A161 | V147-D157 HydrophobicContact CG1-CB 4.11Å; T154-D157 VanDerWaalsContact CB-OD2 3.26Å; T154-D157 WeakPolarHBondContact CB-OD2 3.44Å; T154-D157 WeakPolarHBondContact CG2-OD2 3.47Å; T154-D157 PolarHBondContact N-OD2 3.48Å; T154-D157 PolarHBondContact O-N 2.74Å; T154-D157 VanDerWaalsContact OG1-CG 3.23Å; T154-D157 PolarHBondContact OG1-N 3.12Å; T154-D157 PolarHBondContact OG1-OD2 2.96Å; D157-T160 PolarHBondContact O-N 2.96Å; D157-A161 VanDerWaalsContact O-CB 3.31Å; D157-A161 WeakPolarHBondContact O-CB 3.24Å; D157-A161 PolarHBondContact O-N 2.7Å |
| 158 | R | 93.5 | Very high | 92 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 179.1 | -167.2 | 174.8 | -66.3 | 154.5 | 4.3 | 112.2 | F144 V147 S153 T154 M155 L156 T160 A161 R162 | F144-R158 HydrophobicContact CD2-CG 4.46Å; F144-R158 HydrophobicContact CE2-CG 3.93Å; V147-R158 HydrophobicContact CG1-CB 4.23Å; S153-R158 PolarHBondContact OG-NH2 3.17Å; T154-R158 PolarHBondContact O-N 3.14Å; M155-R158 PolarHBondContact SD-NH1 2.85Å; L156-R158 PolarHBondContact O-N 3.16Å; R158-T160 VanDerWaalsContact C-N 3.34Å; R158-T160 PolarHBondContact O-N 2.72Å; R158-A161 PolarHBondContact O-N 3.3Å; R158-R162 WeakPolarHBondContact O-CB 3.36Å; R158-R162 PolarHBondContact O-N 2.78Å |
| 159 | A | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E121 M125 L128 M155 L156 I163 | E121-A159 HydrophobicContact CG-CB 4.01Å; M125-A159 HydrophobicContact CB-CB 4.46Å; M125-A159 HydrophobicContact CG-CB 3.61Å; L128-A159 HydrophobicContact CD1-CB 3.68Å; M155-A159 WeakPolarHBondContact O-CB 3.07Å; M155-A159 PolarHBondContact O-N 3.37Å; L156-A159 PolarHBondContact O-N 3.2Å; A159-I163 WeakPolarHBondContact O-CG1 3.5Å; A159-I163 PolarHBondContact O-N 2.85Å |
| 160 | T | 94.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.08 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | L128 V133 T136 L142 L156 D157 R158 R162 I163 A164 | L128-T160 VanDerWaalsContact CD1-OG1 3.27Å; L128-T160 WeakPolarHBondContact CD1-OG1 3.5Å; L128-T160 WeakPolarHBondContact CD2-OG1 3.22Å; V133-T160 HydrophobicContact CG2-CG2 4.37Å; T136-T160 VanDerWaalsContact OG1-CG2 3.3Å; T136-T160 WeakPolarHBondContact OG1-CG2 3.45Å; L142-T160 HydrophobicContact CD1-CG2 4.14Å; L156-T160 WeakPolarHBondContact O-CB 3.43Å; L156-T160 PolarHBondContact O-N 2.75Å; L156-T160 PolarHBondContact O-OG1 2.79Å; D157-T160 PolarHBondContact O-N 2.96Å; R158-T160 VanDerWaalsContact C-N 3.34Å; R158-T160 PolarHBondContact O-N 2.72Å; T160-R162 VanDerWaalsContact C-N 3.34Å; T160-R162 PolarHBondContact O-N 3.08Å; T160-I163 PolarHBondContact O-N 3.45Å; T160-I163 VanDerWaalsContact O-N 3.12Å; T160-A164 WeakPolarHBondContact O-CB 3.46Å; T160-A164 PolarHBondContact O-N 3.03Å |
| 161 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L142 V147 D157 R158 I163 A164 S165 | L142-A161 HydrophobicContact CB-CB 4.12Å; V147-A161 HydrophobicContact CB-CB 4.02Å; V147-A161 HydrophobicContact CG1-CB 4.21Å; V147-A161 HydrophobicContact CG2-CB 3.84Å; D157-A161 VanDerWaalsContact O-CB 3.31Å; D157-A161 WeakPolarHBondContact O-CB 3.24Å; D157-A161 PolarHBondContact O-N 2.7Å; R158-A161 PolarHBondContact O-N 3.3Å; A161-I163 VanDerWaalsContact C-N 3.29Å; A161-I163 PolarHBondContact O-N 3.23Å; A161-A164 PolarHBondContact O-N 2.94Å; A161-A164 VanDerWaalsContact O-N 3.17Å; A161-S165 PolarHBondContact O-N 2.63Å; A161-S165 PolarHBondContact O-OG 3.12Å; A161-S165 VanDerWaalsContact O-OG 3.05Å |
| 162 | R | 94.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -32.5 | 175.2 | -168.1 | 175.8 | -73.4 | 150 | 12.3 | 112.9 | I87 E121 F144 R158 T160 | I87-R162 HydrophobicContact CD1-CG 4.47Å; I87-R162 WeakPolarHBondContact CD1-O 3.39Å; I87-R162 HydrophobicContact CG2-CG 4.15Å; E121-R162 VanDerWaalsContact CD-NH2 3.33Å; E121-R162 IonicContact OE1-CZ 3.42Å; E121-R162 IonicContact OE1-NE 2.68Å; E121-R162 PolarHBondContact OE1-NE 3.01Å; E121-R162 IonicContact OE1-NH1 3.09Å; E121-R162 PolarHBondContact OE1-NH1 3.42Å; E121-R162 IonicContact OE1-NH2 3.36Å; E121-R162 PolarHBondContact OE1-NH2 2.88Å; E121-R162 VanDerWaalsContact OE1-NH2 3.12Å; E121-R162 IonicContact OE2-CZ 3.43Å; E121-R162 IonicContact OE2-NH1 2.69Å; E121-R162 PolarHBondContact OE2-NH1 3.35Å; E121-R162 IonicContact OE2-NH2 3.33Å; E121-R162 PolarHBondContact OE2-NH2 3.04Å; F144-R162 HydrophobicContact CD2-CB 3.59Å; F144-R162 HydrophobicContact CD2-CG 4.07Å; F144-R162 HydrophobicContact CE2-CB 3.94Å; F144-R162 HydrophobicContact CE2-CG 4.19Å; F144-R162 HydrophobicContact CG-CB 4.37Å; R158-R162 WeakPolarHBondContact O-CB 3.36Å; R158-R162 PolarHBondContact O-N 2.78Å; T160-R162 VanDerWaalsContact C-N 3.34Å; T160-R162 PolarHBondContact O-N 3.08Å |
| 163 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.7 | -43 | 172 | -60 | 162 | 0 | 0 | 0 | 110.2 | V80 V83 I87 M125 L128 V133 A159 T160 A161 S165 H166 F169 | V80-I163 HydrophobicContact CG1-CG2 4.32Å; V83-I163 HydrophobicContact CG1-CG2 3.96Å; I87-I163 HydrophobicContact CD1-CB 4.5Å; I87-I163 HydrophobicContact CD1-CG1 4.11Å; M125-I163 HydrophobicContact CE-CD1 3.86Å; M125-I163 HydrophobicContact CE-CG1 3.68Å; L128-I163 HydrophobicContact CD1-CD1 4.39Å; V133-I163 HydrophobicContact CG1-CB 3.91Å; V133-I163 HydrophobicContact CG1-CD1 4.31Å; V133-I163 HydrophobicContact CG1-CG2 3.57Å; V133-I163 HydrophobicContact CG2-CD1 4.16Å; A159-I163 WeakPolarHBondContact O-CG1 3.5Å; A159-I163 PolarHBondContact O-N 2.85Å; T160-I163 PolarHBondContact O-N 3.45Å; T160-I163 VanDerWaalsContact O-N 3.12Å; A161-I163 VanDerWaalsContact C-N 3.29Å; A161-I163 PolarHBondContact O-N 3.23Å; I163-S165 PolarHBondContact O-N 3.02Å; I163-H166 VanDerWaalsContact O-CB 3.29Å; I163-H166 WeakPolarHBondContact O-CB 3.21Å; I163-H166 PolarHBondContact O-N 3.07Å; I163-H166 VanDerWaalsContact O-N 3.17Å; I163-F169 WeakPolarHBondContact O-CD1 3.47Å |
| 164 | A | 94.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | A137 L142 T160 A161 H166 F169 | A137-A164 HydrophobicContact CB-CB 3.97Å; L142-A164 HydrophobicContact CB-CB 4.21Å; T160-A164 WeakPolarHBondContact O-CB 3.46Å; T160-A164 PolarHBondContact O-N 3.03Å; A161-A164 PolarHBondContact O-N 2.94Å; A161-A164 VanDerWaalsContact O-N 3.17Å; A164-H166 PolarHBondContact O-N 3.11Å; A164-F169 HydrophobicContact CB-CE1 4.45Å |
| 165 | S | 94 | Very high | 93.9 | Very high | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -0.6 | 178.5 | -47.1 | 0 | 0 | 0 | 0 | 114.2 | L142 F144 A161 I163 | L142-S165 PolarHBondContact O-OG 3.11Å; F144-S165 WeakPolarHBondContact CB-OG 3.44Å; F144-S165 PolarHBondContact N-OG 3.22Å; A161-S165 PolarHBondContact O-N 2.63Å; A161-S165 PolarHBondContact O-OG 3.12Å; A161-S165 VanDerWaalsContact O-OG 3.05Å; I163-S165 PolarHBondContact O-N 3.02Å |
| 166 | H | 95.1 | Very high | 94 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | trans | -72.5 | 126.5 | -178.5 | -175.2 | -91.8 | 0 | 0 | 0 | 111.5 | V83 I87 I163 A164 Q168 F169 R170 | V83-H166 HydrophobicContact CG1-CB 3.57Å; V83-H166 VanDerWaalsContact CG1-CG 3.41Å; V83-H166 WeakPolarHBondContact CG2-ND1 3.24Å; I87-H166 HydrophobicContact CD1-CB 4.18Å; I163-H166 VanDerWaalsContact O-CB 3.29Å; I163-H166 WeakPolarHBondContact O-CB 3.21Å; I163-H166 PolarHBondContact O-N 3.07Å; I163-H166 VanDerWaalsContact O-N 3.17Å; A164-H166 PolarHBondContact O-N 3.11Å; H166-Q168 PolarHBondContact O-N 3.28Å; H166-Q168 VanDerWaalsContact O-N 3.11Å; H166-F169 WeakPolarHBondContact O-CA 3.23Å; H166-F169 PolarHBondContact O-N 3.37Å; H166-R170 PolarHBondContact O-N 3.05Å | ||
| 167 | P | 94.2 | Very high | 94 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -52.1 | -44.2 | -167.6 | -31.5 | 35.6 | 0 | 0 | 0 | 115.9 | F169 K171 | P167-F169 PolarHBondContact O-N 2.86Å; P167-K171 WeakPolarHBondContact O-CG 3.39Å; P167-K171 PolarHBondContact O-N 3.47Å; P167-K171 VanDerWaalsContact O-N 3.11Å |
| 168 | Q | 92.9 | Very high | 94.1 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.2 | -22.9 | 179.5 | -67.1 | 179.6 | -20.5 | 0 | 0 | 114.2 | H166 | H166-Q168 PolarHBondContact O-N 3.28Å; H166-Q168 VanDerWaalsContact O-N 3.11Å |
| 169 | F | 95 | Very high | 94 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -94.7 | -45.9 | 178.1 | 178.6 | -101.4 | 0 | 0 | 0 | 110.3 | M76 V80 V83 V133 A137 I163 A164 H166 P167 K171 K172 I173 | M76-F169 HydrophobicContact CE-CD2 3.28Å; M76-F169 HydrophobicContact CE-CE2 3.33Å; M76-F169 HydrophobicContact CE-CG 4.3Å; M76-F169 HydrophobicContact CE-CZ 4.39Å; V80-F169 HydrophobicContact CG2-CD2 3.88Å; V80-F169 HydrophobicContact CG2-CE2 3.26Å; V80-F169 HydrophobicContact CG2-CZ 3.92Å; V83-F169 HydrophobicContact CG2-CB 4.28Å; V133-F169 HydrophobicContact CG1-CE1 4.49Å; V133-F169 HydrophobicContact CG1-CZ 4.25Å; A137-F169 HydrophobicContact CB-CE1 3.55Å; A137-F169 HydrophobicContact CB-CZ 3.93Å; I163-F169 WeakPolarHBondContact O-CD1 3.47Å; A164-F169 HydrophobicContact CB-CE1 4.45Å; H166-F169 WeakPolarHBondContact O-CA 3.23Å; H166-F169 PolarHBondContact O-N 3.37Å; P167-F169 PolarHBondContact O-N 2.86Å; F169-K171 PolarHBondContact O-N 2.85Å; F169-K172 PolarHBondContact O-N 2.85Å; F169-I173 HydrophobicContact CD1-CG1 3.97Å; F169-I173 HydrophobicContact CE1-CD1 4.03Å; F169-I173 HydrophobicContact CE1-CG1 3.61Å; F169-I173 HydrophobicContact CE2-CD1 4.16Å; F169-I173 HydrophobicContact CE2-CG1 4.2Å; F169-I173 HydrophobicContact CG-CG1 4.44Å; F169-I173 HydrophobicContact CZ-CD1 3.68Å; F169-I173 HydrophobicContact CZ-CG1 3.74Å; F169-I173 WeakPolarHBondContact O-CG1 3.44Å; F169-I173 PolarHBondContact O-N 2.88Å |
| 170 | R | 93.9 | Very high | 93.8 | Very high | 139 Ų | 139 | 51.4 Ų | 51.4 | 53% | 0.525 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -48.1 | -54.4 | 174.1 | -174.8 | -170.8 | 159.7 | -168.1 | -11.1 | 111.7 | H166 K172 I173 E174 | H166-R170 PolarHBondContact O-N 3.05Å; R170-K172 PolarHBondContact O-N 3.17Å; R170-K172 VanDerWaalsContact O-N 3.12Å; R170-I173 PolarHBondContact O-N 3.28Å; R170-I173 VanDerWaalsContact O-N 3.09Å; R170-E174 HydrophobicContact CG-CG 4.45Å; R170-E174 IonicContact CZ-OE1 3.12Å; R170-E174 IonicContact NE-OE1 2.64Å; R170-E174 PolarHBondContact NE-OE1 3.21Å; R170-E174 IonicContact NE-OE2 2.77Å; R170-E174 PolarHBondContact NE-OE2 2.63Å; R170-E174 IonicContact NH2-OE1 3.48Å; R170-E174 PolarHBondContact NH2-OE1 3.17Å; R170-E174 WeakPolarHBondContact O-CG 3.27Å; R170-E174 PolarHBondContact O-N 3.02Å |
| 171 | K | 94 | Very high | 93.6 | Very high | 151 Ų | 151 | 56.6 Ų | 56.6 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -53.5 | -37.2 | -179.9 | -73.6 | -170.2 | 176.2 | -162.2 | 0 | 113.2 | P167 F169 S175 | P167-K171 WeakPolarHBondContact O-CG 3.39Å; P167-K171 PolarHBondContact O-N 3.47Å; P167-K171 VanDerWaalsContact O-N 3.11Å; F169-K171 PolarHBondContact O-N 2.85Å; K171-S175 PolarHBondContact O-N 2.91Å; K171-S175 PolarHBondContact O-OG 3.46Å |
| 172 | K | 93.6 | Very high | 93.4 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -78.2 | -37.7 | -179.9 | -66.6 | -172.9 | 172.4 | -170.3 | 0 | 113 | M76 E79 F169 R170 E174 S175 I176 | M76-K172 HydrophobicContact CE-CB 3.7Å; M76-K172 HydrophobicContact CE-CD 4.28Å; M76-K172 HydrophobicContact SD-CB 3.84Å; M76-K172 HydrophobicContact SD-CD 3.96Å; E79-K172 HydrophobicContact CG-CD 4.17Å; E79-K172 IonicContact OE2-NZ 2.68Å; E79-K172 PolarHBondContact OE2-NZ 3.05Å; F169-K172 PolarHBondContact O-N 2.85Å; R170-K172 PolarHBondContact O-N 3.17Å; R170-K172 VanDerWaalsContact O-N 3.12Å; K172-E174 VanDerWaalsContact C-N 3.25Å; K172-E174 PolarHBondContact O-N 3.36Å; K172-S175 PolarHBondContact O-N 3.08Å; K172-I176 VanDerWaalsContact O-CG1 3.31Å; K172-I176 WeakPolarHBondContact O-CG1 3.49Å; K172-I176 PolarHBondContact O-N 2.83Å |
| 173 | I | 94.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 171.3 | -67.1 | -67.3 | 0 | 0 | 0 | 110.2 | M76 T134 A137 L138 F169 R170 R177 | M76-I173 HydrophobicContact CE-CD1 4.42Å; M76-I173 HydrophobicContact CE-CG1 4.5Å; T134-I173 HydrophobicContact CG2-CD1 4.17Å; A137-I173 HydrophobicContact CB-CD1 4.07Å; A137-I173 HydrophobicContact CB-CG1 4.24Å; A137-I173 VanDerWaalsContact O-CG2 3.28Å; A137-I173 WeakPolarHBondContact O-CG2 3.45Å; L138-I173 HydrophobicContact CD2-CD1 4.01Å; L138-I173 HydrophobicContact CD2-CG2 4.35Å; L138-I173 HydrophobicContact CG-CD1 3.96Å; F169-I173 HydrophobicContact CD1-CG1 3.97Å; F169-I173 HydrophobicContact CE1-CD1 4.03Å; F169-I173 HydrophobicContact CE1-CG1 3.61Å; F169-I173 HydrophobicContact CE2-CD1 4.16Å; F169-I173 HydrophobicContact CE2-CG1 4.2Å; F169-I173 HydrophobicContact CG-CG1 4.44Å; F169-I173 HydrophobicContact CZ-CD1 3.68Å; F169-I173 HydrophobicContact CZ-CG1 3.74Å; F169-I173 WeakPolarHBondContact O-CG1 3.44Å; F169-I173 PolarHBondContact O-N 2.88Å; R170-I173 PolarHBondContact O-N 3.28Å; R170-I173 VanDerWaalsContact O-N 3.09Å; I173-R177 WeakPolarHBondContact O-CB 3.32Å; I173-R177 VanDerWaalsContact O-CG 3.25Å; I173-R177 WeakPolarHBondContact O-CG 3.4Å; I173-R177 PolarHBondContact O-N 2.97Å |
| 174 | E | 94 | Very high | 92.9 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 174.5 | -71.2 | 167 | 149.4 | 0 | 0 | 112.1 | R170 K172 I176 R177 A178 | R170-E174 HydrophobicContact CG-CG 4.45Å; R170-E174 IonicContact CZ-OE1 3.12Å; R170-E174 IonicContact NE-OE1 2.64Å; R170-E174 PolarHBondContact NE-OE1 3.21Å; R170-E174 IonicContact NE-OE2 2.77Å; R170-E174 PolarHBondContact NE-OE2 2.63Å; R170-E174 IonicContact NH2-OE1 3.48Å; R170-E174 PolarHBondContact NH2-OE1 3.17Å; R170-E174 WeakPolarHBondContact O-CG 3.27Å; R170-E174 PolarHBondContact O-N 3.02Å; K172-E174 VanDerWaalsContact C-N 3.25Å; K172-E174 PolarHBondContact O-N 3.36Å; E174-I176 PolarHBondContact O-N 3.22Å; E174-R177 PolarHBondContact O-N 3.49Å; E174-A178 PolarHBondContact O-N 2.96Å |
| 175 | S | 93.6 | Very high | 92.8 | Very high | 79 Ų | 79 | 73.6 Ų | 73.6 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.8 | -44.3 | 173.4 | -52.1 | 0 | 0 | 0 | 0 | 113 | K171 K172 A178 A179 | K171-S175 PolarHBondContact O-N 2.91Å; K171-S175 PolarHBondContact O-OG 3.46Å; K172-S175 PolarHBondContact O-N 3.08Å; S175-A178 PolarHBondContact O-N 3.37Å; S175-A179 PolarHBondContact O-N 3.19Å |
| 176 | I | 92.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.9 | -65.3 | 162.6 | 0 | 0 | 0 | 110.4 | L69 E72 M76 L138 K172 E174 V180 | L69-I176 HydrophobicContact CD1-CG2 3.57Å; E72-I176 HydrophobicContact CB-CD1 4Å; E72-I176 HydrophobicContact CB-CG1 4.39Å; E72-I176 HydrophobicContact CG-CG1 4.48Å; M76-I176 HydrophobicContact CG-CD1 4.09Å; M76-I176 HydrophobicContact SD-CD1 4.4Å; L138-I176 HydrophobicContact CD2-CB 4.08Å; L138-I176 HydrophobicContact CD2-CG2 3.63Å; K172-I176 VanDerWaalsContact O-CG1 3.31Å; K172-I176 WeakPolarHBondContact O-CG1 3.49Å; K172-I176 PolarHBondContact O-N 2.83Å; E174-I176 PolarHBondContact O-N 3.22Å; I176-V180 HydrophobicContact CG2-CG2 4.37Å; I176-V180 WeakPolarHBondContact O-CB 3.48Å; I176-V180 VanDerWaalsContact O-CG2 3.23Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.89Å |
| 177 | R | 92.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 83.1 Ų | 83.1 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.5 | -79.4 | 170 | 164.7 | 179.3 | -9.2 | 113.1 | A137 L138 K140 N141 I173 E174 K181 | A137-R177 PolarHBondContact O-NH2 2.86Å; L138-R177 HydrophobicContact CD2-CG 4.38Å; L138-R177 PolarHBondContact O-NE 3.3Å; L138-R177 PolarHBondContact O-NH2 3.5Å; K140-R177 VanDerWaalsContact C-NH2 3.28Å; K140-R177 PolarHBondContact O-NH2 3.11Å; N141-R177 VanDerWaalsContact OD1-CZ 3.26Å; N141-R177 PolarHBondContact OD1-NH1 2.78Å; N141-R177 PolarHBondContact OD1-NH2 3.34Å; I173-R177 WeakPolarHBondContact O-CB 3.32Å; I173-R177 VanDerWaalsContact O-CG 3.25Å; I173-R177 WeakPolarHBondContact O-CG 3.4Å; I173-R177 PolarHBondContact O-N 2.97Å; E174-R177 PolarHBondContact O-N 3.49Å; R177-K181 WeakPolarHBondContact O-CB 3.33Å; R177-K181 PolarHBondContact O-N 3.26Å |
| 178 | A | 93.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 82.7 Ų | 82.7 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.8 | -59 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E174 S175 V180 K181 D182 | E174-A178 PolarHBondContact O-N 2.96Å; S175-A178 PolarHBondContact O-N 3.37Å; A178-V180 VanDerWaalsContact C-N 3.28Å; A178-V180 PolarHBondContact O-N 3.12Å; A178-K181 CarbonylContact O-C 3.56Å; A178-K181 WeakPolarHBondContact O-CA 3.31Å; A178-K181 VanDerWaalsContact O-CB 3.27Å; A178-K181 WeakPolarHBondContact O-CB 3.32Å; A178-K181 PolarHBondContact O-N 3.24Å; A178-D182 VanDerWaalsContact C-OD2 3.31Å; A178-D182 PolarHBondContact O-N 3.41Å; A178-D182 VanDerWaalsContact O-OD2 3.09Å |
| 179 | A | 91.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 83.2 Ų | 83.2 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.9 | -31.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L67 S175 F183 | L67-A179 HydrophobicContact CD1-CB 3.37Å; L67-A179 HydrophobicContact CG-CB 4.41Å; S175-A179 PolarHBondContact O-N 3.19Å; A179-F183 VanDerWaalsContact O-CB 3.31Å; A179-F183 WeakPolarHBondContact O-CB 3.42Å; A179-F183 PolarHBondContact O-N 3.01Å |
| 180 | V | 90.4 | Very high | 90.5 | Very high | 45 Ų | 45 | 86 Ų | 86 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.5 | -33.2 | 171.1 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | L69 I176 A178 R184 | L69-V180 HydrophobicContact CD1-CG2 4.38Å; I176-V180 HydrophobicContact CG2-CG2 4.37Å; I176-V180 WeakPolarHBondContact O-CB 3.48Å; I176-V180 VanDerWaalsContact O-CG2 3.23Å; I176-V180 WeakPolarHBondContact O-CG2 3.41Å; I176-V180 PolarHBondContact O-N 2.89Å; A178-V180 VanDerWaalsContact C-N 3.28Å; A178-V180 PolarHBondContact O-N 3.12Å; V180-R184 WeakPolarHBondContact O-CD 3.41Å; V180-R184 VanDerWaalsContact O-CG 3.24Å; V180-R184 WeakPolarHBondContact O-CG 3.09Å; V180-R184 PolarHBondContact O-N 2.8Å |
| 181 | K | 91.6 | Very high | 89.4 | Confident | 122 Ų | 122 | 87.1 Ų | 87.1 | 53% | 0.53 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.7 | -47.5 | 171.1 | -179.4 | -178.6 | 179 | -83.7 | 0 | 110.4 | R177 A178 F183 R184 E185 | R177-K181 WeakPolarHBondContact O-CB 3.33Å; R177-K181 PolarHBondContact O-N 3.26Å; A178-K181 CarbonylContact O-C 3.56Å; A178-K181 WeakPolarHBondContact O-CA 3.31Å; A178-K181 VanDerWaalsContact O-CB 3.27Å; A178-K181 WeakPolarHBondContact O-CB 3.32Å; A178-K181 PolarHBondContact O-N 3.24Å; K181-F183 PolarHBondContact O-N 3.5Å; K181-R184 WeakPolarHBondContact O-CB 3.27Å; K181-R184 PolarHBondContact O-N 3.44Å; K181-R184 VanDerWaalsContact O-N 3.09Å; K181-E185 WeakPolarHBondContact CE-OE1 3.36Å; K181-E185 IonicContact NZ-OE1 2.75Å; K181-E185 PolarHBondContact NZ-OE1 2.88Å; K181-E185 PolarHBondContact O-N 3.27Å |
| 182 | D | 90.9 | Very high | 88.2 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | -178.7 | -56.7 | -33 | 0 | 0 | 0 | 111.3 | A178 R184 E185 E186 | A178-D182 VanDerWaalsContact C-OD2 3.31Å; A178-D182 PolarHBondContact O-N 3.41Å; A178-D182 VanDerWaalsContact O-OD2 3.09Å; D182-R184 PolarHBondContact O-N 3.49Å; D182-E185 CarbonylContact O-C 3.59Å; D182-E185 PolarHBondContact O-N 3.24Å; D182-E186 WeakPolarHBondContact O-CB 3.11Å; D182-E186 PolarHBondContact O-N 3.44Å |
| 183 | F | 89.6 | Confident | 86.6 | Confident | 84 Ų | 84 | 90.5 Ų | 90.5 | 37% | 0.368 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 174.4 | -177.1 | -112.2 | 0 | 0 | 0 | 113.5 | V66 A179 K181 R187 | V66-F183 HydrophobicContact CG1-CE2 4.41Å; V66-F183 HydrophobicContact CG1-CZ 4.45Å; A179-F183 VanDerWaalsContact O-CB 3.31Å; A179-F183 WeakPolarHBondContact O-CB 3.42Å; A179-F183 PolarHBondContact O-N 3.01Å; K181-F183 PolarHBondContact O-N 3.5Å; F183-R187 PolarHBondContact O-N 3.23Å; F183-R187 VanDerWaalsContact O-N 3.08Å |
| 184 | R | 89 | Confident | 84.6 | Confident | 179 Ų | 179 | 98.3 Ų | 98.3 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70 | -39.2 | 173.3 | -75.7 | 172.1 | 175.2 | -147.4 | -1 | 111.5 | V180 K181 D182 T188 | V180-R184 WeakPolarHBondContact O-CD 3.41Å; V180-R184 VanDerWaalsContact O-CG 3.24Å; V180-R184 WeakPolarHBondContact O-CG 3.09Å; V180-R184 PolarHBondContact O-N 2.8Å; K181-R184 WeakPolarHBondContact O-CB 3.27Å; K181-R184 PolarHBondContact O-N 3.44Å; K181-R184 VanDerWaalsContact O-N 3.09Å; D182-R184 PolarHBondContact O-N 3.49Å; R184-T188 WeakPolarHBondContact O-CB 3.36Å; R184-T188 WeakPolarHBondContact O-CG2 3.31Å; R184-T188 PolarHBondContact O-N 2.91Å; R184-T188 PolarHBondContact O-OG1 2.75Å |
| 185 | E | 90.9 | Very high | 82.5 | Confident | 58 Ų | 58 | 100.3 Ų | 100.3 | 27% | 0.271 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 174.2 | -78.8 | -166.8 | -142.7 | 0 | 0 | 112 | K181 D182 T188 K189 | K181-E185 WeakPolarHBondContact CE-OE1 3.36Å; K181-E185 IonicContact NZ-OE1 2.75Å; K181-E185 PolarHBondContact NZ-OE1 2.88Å; K181-E185 PolarHBondContact O-N 3.27Å; D182-E185 CarbonylContact O-C 3.59Å; D182-E185 PolarHBondContact O-N 3.24Å; E185-T188 WeakPolarHBondContact CA-OG1 3.28Å; E185-T188 PolarHBondContact O-N 3.46Å; E185-T188 PolarHBondContact O-OG1 2.8Å; E185-T188 VanDerWaalsContact O-OG1 3.1Å; E185-K189 HydrophobicContact CB-CD 4.46Å; E185-K189 VanDerWaalsContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CB 3.25Å; E185-K189 WeakPolarHBondContact O-CD 3.32Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 3.07Å; E185-K189 WeakPolarHBondContact OE2-CE 3.11Å; E185-K189 IonicContact OE2-NZ 2.96Å; E185-K189 PolarHBondContact OE2-NZ 3.28Å |
| 186 | E | 89.7 | Confident | 80 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.3 | -50.9 | 174.1 | -175.8 | 177.5 | -148.3 | 0 | 0 | 111 | D182 T188 K189 A190 | D182-E186 WeakPolarHBondContact O-CB 3.11Å; D182-E186 PolarHBondContact O-N 3.44Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 2.93Å; E186-K189 PolarHBondContact O-N 3.18Å; E186-A190 VanDerWaalsContact O-CB 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.47Å; E186-A190 PolarHBondContact O-N 3.4Å |
| 187 | R | 86.6 | Confident | 77.9 | Confident | 171 Ų | 171 | 109.5 Ų | 109.5 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -35.9 | 177.7 | -110.3 | -174.8 | 162.3 | 119.9 | -1.9 | 113.7 | F183 R191 | F183-R187 PolarHBondContact O-N 3.23Å; F183-R187 VanDerWaalsContact O-N 3.08Å; R187-R191 WeakPolarHBondContact O-CB 3.44Å; R187-R191 PolarHBondContact O-N 2.55Å; R187-R191 VanDerWaalsContact O-N 3.12Å |
| 188 | T | 86.3 | Confident | 75.6 | Confident | 78 Ų | 78 | 116.1 Ų | 116.1 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -80.2 | -32.2 | 179.3 | 49 | 0 | 0 | 0 | 0 | 112.9 | R184 E185 E186 K192 | R184-T188 WeakPolarHBondContact O-CB 3.36Å; R184-T188 WeakPolarHBondContact O-CG2 3.31Å; R184-T188 PolarHBondContact O-N 2.91Å; R184-T188 PolarHBondContact O-OG1 2.75Å; E185-T188 WeakPolarHBondContact CA-OG1 3.28Å; E185-T188 PolarHBondContact O-N 3.46Å; E185-T188 PolarHBondContact O-OG1 2.8Å; E185-T188 VanDerWaalsContact O-OG1 3.1Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 2.93Å; T188-K192 WeakPolarHBondContact O-CG 3.3Å; T188-K192 PolarHBondContact O-N 3.32Å; T188-K192 VanDerWaalsContact O-N 3.15Å |
| 189 | K | 84 | Confident | 73 | Confident | 117 Ų | 117 | 117.6 Ų | 117.6 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.2 | -45.6 | 170.9 | -70.5 | 163 | -168.9 | 171 | 0 | 110.7 | E185 E186 R191 K192 Q193 | E185-K189 HydrophobicContact CB-CD 4.46Å; E185-K189 VanDerWaalsContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CB 3.25Å; E185-K189 WeakPolarHBondContact O-CD 3.32Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 3.07Å; E185-K189 WeakPolarHBondContact OE2-CE 3.11Å; E185-K189 IonicContact OE2-NZ 2.96Å; E185-K189 PolarHBondContact OE2-NZ 3.28Å; E186-K189 PolarHBondContact O-N 3.18Å; K189-R191 PolarHBondContact O-N 3.18Å; K189-K192 PolarHBondContact O-N 3.07Å; K189-Q193 PolarHBondContact O-N 3.23Å; K189-Q193 VanDerWaalsContact O-N 3.1Å |
| 190 | A | 76.4 | Confident | 70.9 | Confident | 58 Ų | 58 | 125.2 Ų | 125.2 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.2 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E186 K192 Q193 Q194 | E186-A190 VanDerWaalsContact O-CB 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.47Å; E186-A190 PolarHBondContact O-N 3.4Å; A190-K192 PolarHBondContact O-N 3.14Å; A190-Q193 PolarHBondContact O-N 2.68Å; A190-Q194 PolarHBondContact O-N 3.38Å |
| 191 | R | 72 | Confident | 68.5 | Low | 163 Ų | 163 | 134.9 Ų | 134.9 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.6 | -46.1 | 174.3 | 179.6 | 178.5 | 166.8 | 179.3 | -4.1 | 112.1 | R187 K189 Q193 Q194 E195 | R187-R191 WeakPolarHBondContact O-CB 3.44Å; R187-R191 PolarHBondContact O-N 2.55Å; R187-R191 VanDerWaalsContact O-N 3.12Å; K189-R191 PolarHBondContact O-N 3.18Å; R191-Q193 VanDerWaalsContact C-N 3.31Å; R191-Q193 PolarHBondContact O-N 2.87Å; R191-Q194 WeakPolarHBondContact O-CB 3.3Å; R191-Q194 PolarHBondContact O-N 2.75Å; R191-Q194 VanDerWaalsContact O-N 3.07Å; R191-E195 IonicContact CZ-OE1 2.63Å; R191-E195 VanDerWaalsContact CZ-OE1 3.29Å; R191-E195 IonicContact NE-OE1 2.63Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 3.74Å; R191-E195 PolarHBondContact NH2-OE1 3.05Å; R191-E195 PolarHBondContact O-N 2.75Å |
| 192 | K | 69.6 | Low | 66 | Low | 151 Ų | 151 | 137.2 Ų | 137.2 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.3 | -33.5 | -179.5 | -75.1 | 176.6 | 178.1 | -173.8 | 0 | 113.1 | T188 K189 A190 Q194 E195 | T188-K192 WeakPolarHBondContact O-CG 3.3Å; T188-K192 PolarHBondContact O-N 3.32Å; T188-K192 VanDerWaalsContact O-N 3.15Å; K189-K192 PolarHBondContact O-N 3.07Å; A190-K192 PolarHBondContact O-N 3.14Å; K192-Q194 VanDerWaalsContact C-N 3.29Å; K192-Q194 PolarHBondContact O-N 3.19Å; K192-E195 PolarHBondContact O-N 3.34Å |
| 193 | Q | 58.1 | Low | 63.9 | Low | 158 Ų | 158 | 138.1 Ų | 138.1 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74 | -18.2 | 174.7 | -70.8 | -171.7 | -9.5 | 0 | 0 | 113.7 | K189 A190 R191 E195 | K189-Q193 PolarHBondContact O-N 3.23Å; K189-Q193 VanDerWaalsContact O-N 3.1Å; A190-Q193 PolarHBondContact O-N 2.68Å; R191-Q193 VanDerWaalsContact C-N 3.31Å; R191-Q193 PolarHBondContact O-N 2.87Å; Q193-E195 VanDerWaalsContact C-N 3.34Å |
| 194 | Q | 54.4 | Low | 61.5 | Low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.5 | -14.8 | 171.6 | -161.7 | 172.2 | 2.2 | 0 | 0 | 112.7 | A190 R191 K192 H196 | A190-Q194 PolarHBondContact O-N 3.38Å; R191-Q194 WeakPolarHBondContact O-CB 3.3Å; R191-Q194 PolarHBondContact O-N 2.75Å; R191-Q194 VanDerWaalsContact O-N 3.07Å; K192-Q194 VanDerWaalsContact C-N 3.29Å; K192-Q194 PolarHBondContact O-N 3.19Å; Q194-H196 PolarHBondContact O-N 2.99Å |
| 195 | E | 49.9 | Very low | 59 | Low | 114 Ų | 114 | 144 Ų | 144 | 53% | 0.533 | 70% | 0.696 | S | S | . | * | trans | -97 | 47.9 | -177.4 | -68.8 | 175.9 | -176.6 | 0 | 0 | 112.5 | R191 K192 Q193 | R191-E195 IonicContact CZ-OE1 2.63Å; R191-E195 VanDerWaalsContact CZ-OE1 3.29Å; R191-E195 IonicContact NE-OE1 2.63Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 3.74Å; R191-E195 PolarHBondContact NH2-OE1 3.05Å; R191-E195 PolarHBondContact O-N 2.75Å; K192-E195 PolarHBondContact O-N 3.34Å; Q193-E195 VanDerWaalsContact C-N 3.34Å | ||
| 196 | H | 41.1 | Very low | 56.6 | Low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | trans | -94.6 | 138.5 | 163.8 | -84.6 | -64.6 | 0 | 0 | 0 | 111.4 | Q194 | Q194-H196 PolarHBondContact O-N 2.99Š| ||
| 197 | P | 48.6 | Very low | 54 | Low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -86.3 | 136.2 | -151.8 | 31.9 | -36.8 | 0 | 0 | 0 | 115.1 | ||||
| 198 | K | 42.9 | Very low | 51.8 | Low | 212 Ų | 212 | 145.8 Ų | 145.8 | 92% | 0.922 | 74% | 0.735 | S | S | * | * | trans | -145.7 | 119.7 | 159.1 | -119 | 176.6 | -176.7 | 175.8 | 0 | 111.1 | ||||
| 199 | G | 38.4 | Very low | 49.1 | Very low | 76 Ų | 76 | 149.3 Ų | 149.3 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 94.1 | 95.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 200 | Q | 48.8 | Very low | 46.8 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -63.7 | 132.7 | 150.1 | -67.9 | 170 | -41.3 | 0 | 0 | 108.5 | ||||
| 201 | R | 39.3 | Very low | 45.5 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | trans | -137 | 133 | 146.6 | -74.1 | -162.5 | 173.5 | -170 | -2.2 | 108.6 | ||||
| 202 | Q | 40.4 | Very low | 43.5 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 160.5 | 177.7 | -70.9 | -71.2 | 8.3 | 0 | 0 | 110.6 | ||
| 203 | P | 46 | Very low | 41.8 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 130.5 | 175.1 | 31.9 | -32.6 | 0 | 0 | 0 | 111.3 | ||
| 204 | E | 38.4 | Very low | 40.6 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 149.4 | 163.8 | -74.2 | -173.1 | 128.9 | 0 | 0 | 110.4 | ||
| 205 | Q | 37.7 | Very low | 39.9 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -107.9 | 138.2 | -172.1 | -63.7 | -176.1 | 0.2 | 0 | 0 | 112.7 | ||||
| 206 | A | 39.6 | Very low | 39.1 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | 43.8 | 117.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 207 | T | 35.4 | Very low | 39 | Very low | 139 Ų | 139 | 154 Ų | 154 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -159.4 | 108.5 | 135.9 | -70.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 208 | Q | 39.8 | Very low | 38.4 | Very low | 157 Ų | 157 | 156.3 Ų | 156.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | 82.1 | 127.5 | 54.8 | -71.5 | -149.2 | 49.9 | 0 | 0 | 115.2 | |||||
| 209 | L | 31 | Very low | 38 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 72.8 | 126.1 | 168.4 | -54.5 | 164.5 | 0 | 0 | 0 | 116 | ||||
| 210 | S | 34.5 | Very low | 37.8 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | 87.2 | 155.5 | 36.4 | -63.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 211 | P | 50 | Low | 37.1 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -135 | -173.5 | -35.7 | 39.6 | -23.5 | 0 | 0 | 0 | 112.6 | ||||
| 212 | D | 29.4 | Very low | 36.9 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -143 | 158.2 | 147.8 | -167.4 | 18.7 | 0 | 0 | 0 | 110.7 | ||||
| 213 | T | 33.4 | Very low | 36.6 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | trans | -151.9 | 130.9 | -154.7 | 17.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 214 | R | 34.3 | Very low | 36.1 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -142.9 | 104.7 | 151.6 | -58.2 | -174.3 | -173.5 | -170 | 0.5 | 106.2 | ||||
| 215 | Q | 39.4 | Very low | 35.9 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | 59.6 | 131.8 | 74.5 | -64.8 | -173.8 | -9.9 | 0 | 0 | 111.9 | |||||
| 216 | D | 32.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | cis | -156 | 143.6 | 6.5 | -164.2 | 20.9 | 0 | 0 | 0 | 105.6 | ||||
| 217 | R | 38.2 | Very low | 35.7 | Very low | 207 Ų | 207 | 147.9 Ų | 147.9 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | -158.1 | 169.3 | 51.3 | -80.7 | -178 | 178.7 | 116.1 | 32.1 | 110 | |||||
| 218 | K | 37.7 | Very low | 35.6 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | cis | 76.7 | 122.7 | 34 | -151.2 | -173 | -178 | 179.1 | 0 | 113.6 | ||||
| 219 | N | 32.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 149 Ų | 149 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | cis | -141.5 | -174.8 | -6.4 | -113.7 | 14.3 | 0 | 0 | 0 | 106.9 | ||||
| 220 | E | 35.2 | Very low | 35.4 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -149.6 | 177.8 | 18.2 | -153 | 123.4 | -108.6 | 0 | 0 | 111.1 | ||||
| 221 | D | 34.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | -102.9 | 144.4 | -170.7 | 179.6 | 34.9 | 0 | 0 | 0 | 112.2 | ||||
| 222 | K | 34.4 | Very low | 34.5 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | 165.7 | 144.2 | 117.3 | -89.5 | -172.8 | 149.5 | -76.5 | 0 | 119.3 | |||||
| 223 | D | 33.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | trans | 56.7 | 104.2 | 143 | -52.6 | -15.4 | 0 | 0 | 0 | 120.5 | ||||
| 224 | K | 37 | Very low | 34.7 | Very low | 211 Ų | 211 | 157.5 Ų | 157.5 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | -144.3 | 144.3 | 140.7 | -76.9 | -153.2 | 175.6 | -172.6 | 0 | 111.7 | ||||
| 225 | D | 33.1 | Very low | 34.8 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -94.9 | 167.1 | -160.3 | -53.9 | -90.6 | 0 | 0 | 0 | 117.4 | ||||
| 226 | N | 30.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | 93.3 | 134.3 | 142 | -148.2 | 55.7 | 0 | 0 | 0 | 118.6 | ||||
| 227 | P | 42.9 | Very low | 35 | Very low | 104 Ų | 104 | 157.6 Ų | 157.6 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -106.6 | -176.3 | -165 | 42.7 | -37.3 | 0 | 0 | 0 | 115.8 | ||||
| 228 | L | 33.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 151 Ų | 151 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -51.6 | 158 | 170.6 | -73.8 | 68.5 | 0 | 0 | 0 | 114.1 | ||||
| 229 | N | 28.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 148 Ų | 148 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | -150.9 | 153.5 | 115.3 | -145.6 | -15.4 | 0 | 0 | 0 | 113.4 | |||||
| 230 | Q | 36.6 | Very low | 34 | Very low | 159 Ų | 159 | 150 Ų | 150 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -157.9 | 104 | 179.2 | -177.9 | -174.1 | 17.2 | 0 | 0 | 112.6 | ||||
| 231 | Q | 31.8 | Very low | 33.9 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 177.7 | 144.6 | 160.3 | -98.2 | 140.3 | 75.9 | 0 | 0 | 106.3 | ||||
| 232 | V | 33.5 | Very low | 34 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | cis | 79.3 | 90.3 | 16.8 | -167.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 233 | E | 32.8 | Very low | 33.8 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -162.9 | 125.8 | 140.6 | -74.5 | -146.4 | 157.3 | 0 | 0 | 105 | ||||
| 234 | D | 35.1 | Very low | 33.4 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | 77.7 | 115 | 76.3 | -81.2 | -53.6 | 0 | 0 | 0 | 115.9 | |||||
| 235 | I | 36 | Very low | 33.2 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -146.1 | 134.5 | 167 | -58.7 | -177.8 | 0 | 0 | 0 | 109.8 | ||||
| 236 | K | 40.4 | Very low | 33.1 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -132.1 | 141.6 | 162.2 | -87.7 | -170.1 | 170.2 | -163.3 | 0 | 109.2 | ||||
| 237 | E | 36.9 | Very low | 33 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 56.9 | 153.8 | 160.3 | -64.4 | 165.6 | 103.9 | 0 | 0 | 116.3 | ||||
| 238 | G | 28.7 | Very low | 32.2 | Very low | 68 Ų | 68 | 147.1 Ų | 147.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | 174.5 | 141.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 239 | A | 29.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 48.3 | 125.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 240 | D | 30.1 | Very low | 31.9 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | -162.3 | 176.6 | 104.6 | -155.6 | 3 | 0 | 0 | 0 | 111.1 | |||||
| 241 | V | 32.4 | Very low | 31.5 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | -108.2 | 150.7 | -164.2 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 242 | L | 35.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 71% | 0.707 | 80% | 0.8 | S | S | * | * | 161.4 | 132.6 | 127.8 | -82.7 | 165.4 | 0 | 0 | 0 | 115.4 | |||||
| 243 | K | 30.2 | Very low | 31.7 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 8.7 | 140 | 139.4 | -50.7 | 167.1 | -166.2 | 165.5 | 0 | 117.9 | ||||
| 244 | G | 26.7 | Very low | 31.3 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | cis | 125.5 | 160.6 | 2.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 245 | A | 31 | Very low | 31 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | 85.6 | 156.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 246 | K | 31.2 | Very low | 30.9 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | 77.3 | 117.3 | 173.3 | -53.3 | 172.2 | -172.1 | 175.1 | 0 | 114.5 | ||||
| 247 | K | 28.9 | Very low | 30.3 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | cis | 68.9 | 98 | 32.5 | -66.2 | -169.5 | 173.8 | -178.1 | 0 | 116.6 | ||||
| 248 | S | 27 | Very low | 30.4 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 173.8 | 114.3 | 137.9 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 249 | V | 26.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 71.2 | 100.4 | 82.2 | 175.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 250 | V | 28.4 | Very low | 31.4 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 35.7 | 115 | 139.4 | -164.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 251 | Q | 28.9 | Very low | 31.6 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | -174.4 | 146.7 | 113.8 | -99.7 | -179.7 | 22 | 0 | 0 | 112.8 | |||||
| 252 | S | 27.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -123.4 | 154 | 164.3 | 60.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 253 | P | 41.1 | Very low | 31.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | -158.5 | 174.2 | 91.2 | 41.7 | -22.5 | 0 | 0 | 0 | 118.2 | |||||
| 254 | A | 24.5 | Very low | 31.1 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | 70 | 121.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 255 | Y | 28.5 | Very low | 31.3 | Very low | 212 Ų | 212 | 140.3 Ų | 140.3 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | -162 | 123.9 | 128 | -84.4 | -65.2 | 0 | 0 | 0 | 106.6 | |||||
| 256 | Q | 35.2 | Very low | 31.3 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 60.2 | 131.2 | 99.4 | -78.8 | -178 | -28.6 | 0 | 0 | 114.9 | |||||
| 257 | E | 28.2 | Very low | 31.1 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -143.1 | 149.7 | 5.6 | -93.8 | -177.5 | 130.5 | 0 | 0 | 110.3 | ||||
| 258 | K | 38.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | 64 | 145.6 | 81.1 | -112.5 | -130.3 | 161.7 | -146.6 | 0 | 115.2 | E260 | K258-E260 IonicContact NZ-OE1 2.8Å; K258-E260 PolarHBondContact NZ-OE1 3.46Å | |||
| 259 | P | 48.4 | Very low | 31.3 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | cis | -147.9 | -176.6 | -26.5 | 43.9 | -26.5 | 0 | 0 | 0 | 118.5 | ||||
| 260 | E | 29.8 | Very low | 31.5 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 67.8 | 138.9 | 143.1 | -79.2 | 138.1 | -126.5 | 0 | 0 | 120.6 | K258 | K258-E260 IonicContact NZ-OE1 2.8Å; K258-E260 PolarHBondContact NZ-OE1 3.46Å | ||
| 261 | S | 34.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | cis | -155 | 175.3 | -3.8 | 64.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 262 | T | 28.9 | Very low | 31.3 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | cis | -114.5 | 177 | 12.1 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 263 | S | 30 | Very low | 31.3 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | 75 | 88.5 | 37 | -134.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 264 | A | 29.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | 74.5 | 154.1 | 77.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 265 | K | 31.1 | Very low | 32.2 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | cis | -153.7 | 176.2 | 9.2 | -138.2 | 166.7 | -179.4 | 177.6 | 0 | 105.4 | ||||
| 266 | A | 30.1 | Very low | 32.1 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | cis | -164 | 172.6 | 28.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 267 | T | 27.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -35.3 | 147.5 | 165.4 | 51.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 268 | V | 30.3 | Very low | 32.6 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | -171.5 | 123.8 | 113.5 | 143.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 269 | V | 29.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 15.3 | 137.9 | 145.7 | -149.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 270 | K | 31.1 | Very low | 31.6 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 91 | 109.2 | 142.9 | -105.9 | 170.1 | -175.2 | 177.9 | 0 | 122.9 | ||||
| 271 | S | 27.4 | Very low | 31.6 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | 61.5 | 121.5 | 124.2 | 66.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 272 | S | 25.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 81.1 | 127.7 | 129.9 | -60.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 273 | T | 27.6 | Very low | 31.7 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 75.6 | 149.8 | 140.9 | 47 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 274 | K | 30.2 | Very low | 31.9 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -68.8 | 178.7 | 171.1 | -54.3 | 171.6 | -179.7 | 176.5 | 0 | 111.5 | ||||
| 275 | P | 52.9 | Low | 32 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -136 | -156.8 | -49.8 | 39.6 | -21.6 | 0 | 0 | 0 | 111.9 | ||||
| 276 | K | 27.9 | Very low | 32.2 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | 72.8 | 170 | 161.5 | -99.1 | -166.3 | 166.5 | -178.5 | 0 | 116.4 | ||||
| 277 | P | 44 | Very low | 32.1 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 57% | 0.565 | 76% | 0.76 | S | S | * | * | cis | -141 | -164.6 | -30.1 | 40.8 | -22.7 | 0 | 0 | 0 | 114.7 | ||||
| 278 | Q | 28.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 73.6 | 153.5 | 150.7 | -73.8 | 175.9 | -16.5 | 0 | 0 | 118.5 | ||||
| 279 | I | 34.9 | Very low | 32.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | cis | -149.5 | 144.1 | -0.3 | -116.5 | 151.6 | 0 | 0 | 0 | 110.2 | ||||
| 280 | K | 30.7 | Very low | 33.2 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -174.7 | 156.4 | 131 | -102.6 | 178.4 | -178.3 | -173.7 | 0 | 110.7 | ||||
| 281 | H | 30 | Very low | 33.2 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -141.6 | 146.7 | -165.8 | -104.5 | -105.3 | 0 | 0 | 0 | 110.7 | ||||
| 282 | E | 31.4 | Very low | 34 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 172 | 115.7 | 141.8 | -93.6 | 150.9 | -159.7 | 0 | 0 | 107 | ||||
| 283 | E | 33.8 | Very low | 34 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | 65.1 | 132.7 | 93.9 | -65.2 | -148.2 | 135 | 0 | 0 | 114.5 | |||||
| 284 | K | 36.2 | Very low | 34.4 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 67% | 0.665 | 76% | 0.758 | S | S | * | * | cis | -159.8 | 150.5 | 7.6 | -113.5 | 158 | 177.7 | 144.3 | 0 | 112.4 | ||||
| 285 | N | 31.2 | Very low | 34.3 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 47.6 | 99.3 | 146.5 | -63.6 | 3.5 | 0 | 0 | 0 | 124.7 | ||||
| 286 | S | 34 | Very low | 33.3 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | 65.8 | 129.1 | 111.6 | 77.4 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 287 | R | 28.2 | Very low | 33.3 | Very low | 220 Ų | 220 | 146.5 Ų | 146.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | 100.9 | 136.6 | 127.1 | -138.7 | -164.6 | 179 | -154.2 | -0.7 | 120.9 | |||||
| 288 | L | 33.3 | Very low | 32.6 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 86.9 | 153.7 | 162.3 | -55.2 | -177 | 0 | 0 | 0 | 119.5 | ||||
| 289 | Q | 31.6 | Very low | 32.6 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -117.9 | -172 | 174.6 | -48.1 | -177.3 | -38.9 | 0 | 0 | 107.6 | ||||
| 290 | P | 46.4 | Very low | 32.5 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -137.2 | -174.3 | -5 | 43.5 | -24.9 | 0 | 0 | 0 | 115.1 | ||||
| 291 | V | 31.3 | Very low | 32.7 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | 17.3 | 136.3 | 133.4 | 175.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 292 | P | 43.6 | Very low | 33.2 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -143.4 | -172.2 | 29.4 | 35.7 | -12.6 | 0 | 0 | 0 | 118.1 | ||||
| 293 | D | 26.7 | Very low | 33.4 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | 83.6 | 160.7 | 137.2 | -126 | -28.2 | 0 | 0 | 0 | 122.9 | ||||
| 294 | L | 35.1 | Very low | 33.4 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 62.6 | 108.1 | 175.2 | -50.4 | -177.5 | 0 | 0 | 0 | 115.3 | ||||
| 295 | A | 29.4 | Very low | 34.2 | Very low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | 91.1 | 140.9 | 33.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 296 | L | 30.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 75.7 | 126.5 | 179.9 | -50.6 | -177.9 | 0 | 0 | 0 | 113.8 | ||||
| 297 | K | 28.7 | Very low | 34.7 | Very low | 190 Ų | 190 | 142 Ų | 142 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | 57.2 | 136 | 88.5 | -57.1 | -179.9 | -172 | 179.5 | 0 | 112.4 | |||||
| 298 | S | 28.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -156.4 | 136.9 | 10.5 | 34 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 299 | A | 30.1 | Very low | 35.2 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | 82.4 | -179.7 | 102.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 300 | D | 31.8 | Very low | 35.4 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 71.3 | 135.8 | 171 | -55.7 | -161.8 | 0 | 0 | 0 | 118.1 | ||||
| 301 | E | 35.5 | Very low | 35.2 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | -156.7 | 176.9 | -27.9 | -85.3 | -148.8 | 140.9 | 0 | 0 | 108 | ||||
| 302 | E | 40.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | 65.8 | 150.1 | 166.7 | -52.9 | -173.8 | 175.1 | 0 | 0 | 117.5 | ||||
| 303 | E | 36 | Very low | 36 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -165.7 | 157.7 | -17.2 | -106.6 | -71.4 | 84.8 | 0 | 0 | 106.1 | ||||
| 304 | S | 33.8 | Very low | 37.2 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | cis | -126.7 | -134.5 | -4.1 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 305 | D | 51.8 | Low | 38.5 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -154.5 | 177.7 | 15.5 | -155.9 | 3.1 | 0 | 0 | 0 | 111.7 | ||||
| 306 | V | 40.7 | Very low | 39.3 | Very low | 122 Ų | 122 | 147 Ų | 147 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | -90.7 | 173.6 | -172.9 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 307 | E | 34.3 | Very low | 40.1 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | cis | -150.4 | -176.1 | 17.7 | -151.6 | 171.1 | -162.9 | 0 | 0 | 112.6 | ||||
| 308 | S | 38.6 | Very low | 41.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -141 | 159.7 | -162.3 | -172.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 309 | S | 34 | Very low | 42.2 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | 166 | 139 | 162.6 | 166.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 310 | D | 36.3 | Very low | 43.2 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | cis | -139.8 | 152.1 | 0 | -101.5 | -171.7 | 0 | 0 | 0 | 106 | ||||
| 311 | D | 41 | Very low | 43.9 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | cis | 68.8 | 143.4 | 40.1 | -129.6 | -141.7 | 0 | 0 | 0 | 114.3 | ||||
| 312 | E | 43.9 | Very low | 44.5 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 59% | 0.589 | 74% | 0.738 | S | S | * | * | cis | -137.1 | 154.3 | -16.4 | -159.5 | -171 | -177.1 | 0 | 0 | 108 | K314 | E312-K314 IonicContact OE1-NZ 2.75Å; E312-K314 PolarHBondContact OE1-NZ 3.18Å | ||
| 313 | E | 49.5 | Very low | 45.1 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | -178.3 | 141.4 | 126.1 | -103 | 179.7 | -163.3 | 0 | 0 | 110.4 | |||||
| 314 | K | 50.7 | Low | 46.3 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -120.8 | 133.4 | 176 | -54.3 | 165.9 | -169 | 60.7 | 0 | 108.1 | E312 | E312-K314 IonicContact OE1-NZ 2.75Å; E312-K314 PolarHBondContact OE1-NZ 3.18Å | ||
| 315 | E | 62 | Low | 47 | Very low | 208 Ų | 208 | 149.2 Ų | 149.2 | 97% | 0.972 | 75% | 0.747 | S | S | * | * | trans | -144.6 | 152.7 | 144.7 | -130.5 | 173.2 | -151.4 | 0 | 0 | 111.3 | ||||
| 316 | Y | 47.7 | Very low | 46.7 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 74% | 0.737 | 75% | 0.75 | S | S | * | * | trans | -125.8 | 130 | -153.6 | 157.8 | -89.8 | 0 | 0 | 0 | 110.3 | ||||
| 317 | F | 45.8 | Very low | 46.9 | Very low | 202 Ų | 202 | 153.3 Ų | 153.3 | 89% | 0.886 | 75% | 0.75 | S | S | * | * | trans | -145.8 | 134.6 | 157.4 | -131.4 | -85.4 | 0 | 0 | 0 | 112 | ||||
| 318 | D | 53.4 | Low | 47.2 | Very low | 89 Ų | 89 | 152.8 Ų | 152.8 | 48% | 0.476 | 75% | 0.748 | S | S | . | * | trans | -97.9 | 126.1 | 177.9 | 175.8 | 16 | 0 | 0 | 0 | 109.3 | S320 | D318-S320 VanDerWaalsContact OD1-CB 3.28Å; D318-S320 WeakPolarHBondContact OD1-CB 3.33Å; D318-S320 PolarHBondContact OD1-N 3.05Å; D318-S320 PolarHBondContact OD1-OG 3.35Å | ||
| 319 | D | 48.5 | Very low | 47.1 | Very low | 126 Ų | 126 | 152 Ų | 152 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | -130.3 | 64.6 | 164.3 | -170.2 | -0.3 | 0 | 0 | 0 | 109.6 | T321 | D319-T321 PolarHBondContact O-N 2.88Å; D319-T321 WeakPolarHBondContact OD1-CB 3.15Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T321 PolarHBondContact OD1-OG1 3.22Å | ||
| 320 | S | 50.6 | Low | 47.6 | Very low | 105 Ų | 105 | 153 Ų | 153 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -73.6 | 64.7 | 167.3 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | D318 | D318-S320 VanDerWaalsContact OD1-CB 3.28Å; D318-S320 WeakPolarHBondContact OD1-CB 3.33Å; D318-S320 PolarHBondContact OD1-N 3.05Å; D318-S320 PolarHBondContact OD1-OG 3.35Å | ||
| 321 | T | 48 | Very low | 47.8 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | -125 | 152 | 174.5 | 70.3 | 0 | 0 | 0 | 0 | 115.2 | D319 | D319-T321 PolarHBondContact O-N 2.88Å; D319-T321 WeakPolarHBondContact OD1-CB 3.15Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T321 PolarHBondContact OD1-OG1 3.22Å | ||
| 322 | E | 46.5 | Very low | 47.5 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | trans | 61.9 | 46.9 | 172.7 | -140.8 | 67.3 | 162.3 | 0 | 0 | 117.7 | R324 | E322-R324 VanDerWaalsContact CD-CD 3.44Å; E322-R324 HydrophobicContact CG-CB 3.83Å; E322-R324 PolarHBondContact O-N 3.42Å; E322-R324 WeakPolarHBondContact OE1-CD 3.3Å; E322-R324 IonicContact OE1-CZ 3.8Å; E322-R324 IonicContact OE1-NE 3.84Å; E322-R324 IonicContact OE1-NH1 2.92Å; E322-R324 PolarHBondContact OE1-NH1 3.49Å | ||
| 323 | E | 54.8 | Low | 47.3 | Very low | 192 Ų | 192 | 152 Ų | 152 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -62.2 | 74.1 | 144.9 | -170.3 | -160.6 | 157.3 | 0 | 0 | 109.6 | ||||
| 324 | R | 59.7 | Low | 46.6 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -152.2 | 60 | -173.2 | -160.8 | -158.4 | -174.9 | 174.8 | 2.6 | 114.1 | E322 | E322-R324 VanDerWaalsContact CD-CD 3.44Å; E322-R324 HydrophobicContact CG-CB 3.83Å; E322-R324 PolarHBondContact O-N 3.42Å; E322-R324 WeakPolarHBondContact OE1-CD 3.3Å; E322-R324 IonicContact OE1-CZ 3.8Å; E322-R324 IonicContact OE1-NE 3.84Å; E322-R324 IonicContact OE1-NH1 2.92Å; E322-R324 PolarHBondContact OE1-NH1 3.49Å | ||
| 325 | F | 48.4 | Very low | 46 | Very low | 197 Ų | 197 | 149.5 Ų | 149.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | -174.7 | 95.7 | 125.2 | -106.9 | -71.8 | 0 | 0 | 0 | 110.1 | |||||
| 326 | H | 45.9 | Very low | 45.2 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -142.2 | 143.8 | 164.8 | -132 | 67.3 | 0 | 0 | 0 | 110 | ||||
| 327 | K | 45.7 | Very low | 45.1 | Very low | 173 Ų | 173 | 145 Ų | 145 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 75.1 | 88.2 | -174.5 | -48.5 | 154.4 | -175.8 | 160.9 | 0 | 115.4 | ||||
| 328 | Q | 40.4 | Very low | 45.2 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -175.7 | 131 | 137 | -76.7 | -38.5 | -86.7 | 0 | 0 | 105 | ||||
| 329 | S | 36.1 | Very low | 45.7 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -151.4 | 175 | -7.1 | -73.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 330 | S | 44.6 | Very low | 46.3 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -104.2 | 154.9 | 179.6 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 331 | A | 40.6 | Very low | 46.5 | Very low | 91 Ų | 91 | 149.8 Ų | 149.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 75.3 | 121.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 332 | S | 35.1 | Very low | 46.6 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 91.1 | 151.9 | 135 | -59.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 333 | E | 39.8 | Very low | 46.4 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 78.4 | 93.9 | 158.5 | -71.9 | 171 | 121.5 | 0 | 0 | 122.5 | ||||
| 334 | E | 34.1 | Very low | 46.2 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | 42.1 | 99 | 117.4 | -162.2 | 157.5 | -158.5 | 0 | 0 | 123.1 | |||||
| 335 | S | 39.2 | Very low | 45.7 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -163.1 | 137.9 | 137.9 | -84.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 336 | D | 44.8 | Very low | 45.6 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 49.7 | 127.6 | 83.8 | -97.3 | 177.2 | 0 | 0 | 0 | 113.7 | |||||
| 337 | E | 44.3 | Very low | 45.5 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -139.7 | 145.3 | -3.5 | -58.5 | 97.3 | 146.1 | 0 | 0 | 111.2 | ||||
| 338 | D | 49.5 | Very low | 45.4 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -170.5 | 54.1 | 143.1 | -128.4 | -19.7 | 0 | 0 | 0 | 115.2 | F340 | D338-F340 PolarHBondContact O-N 2.91Š| ||
| 339 | D | 62.8 | Low | 45.5 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -79.8 | 41.7 | -177.6 | -140.7 | -5.9 | 0 | 0 | 0 | 113.4 | F341 I342 | D339-F341 PolarHBondContact O-N 3.47Å; D339-I342 VanDerWaalsContact CG-CD1 3.45Å; D339-I342 PolarHBondContact O-N 3.09Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.38Å; D339-I342 WeakPolarHBondContact OD1-CG1 3.33Å; D339-I342 WeakPolarHBondContact OD2-CD1 3.39Å | ||
| 340 | F | 61.4 | Low | 45.8 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -8.7 | -163.8 | -170.6 | -103.7 | 0 | 0 | 0 | 115.7 | D338 | D338-F340 PolarHBondContact O-N 2.91Š|
| 341 | F | 54.6 | Low | 45.5 | Very low | 186 Ų | 186 | 155.9 Ų | 155.9 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 17.3 | -179 | -81.7 | -72.4 | 0 | 0 | 0 | 116.3 | D339 G343 | D339-F341 PolarHBondContact O-N 3.47Å; F341-G343 PolarHBondContact O-N 2.94Å |
| 342 | I | 50.2 | Low | 45.3 | Very low | 128 Ų | 128 | 159.2 Ų | 159.2 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | trans | -80.2 | 56.6 | 166.3 | -52.1 | -164.4 | 0 | 0 | 0 | 111.5 | D339 K344 | D339-I342 VanDerWaalsContact CG-CD1 3.45Å; D339-I342 PolarHBondContact O-N 3.09Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.38Å; D339-I342 WeakPolarHBondContact OD1-CG1 3.33Å; D339-I342 WeakPolarHBondContact OD2-CD1 3.39Å; I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 2.73Å | ||
| 343 | G | 42 | Very low | 45.4 | Very low | 72 Ų | 72 | 163.7 Ų | 163.7 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -79.9 | 59.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F341 | F341-G343 PolarHBondContact O-N 2.94Š| ||
| 344 | K | 51.1 | Low | 45.3 | Very low | 201 Ų | 201 | 161.4 Ų | 161.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 38 | 91.3 | 161.9 | -64.4 | 175.3 | -179.4 | 168.6 | 0 | 118.2 | I342 | I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 2.73Å | ||
| 345 | V | 48.8 | Very low | 45.2 | Very low | 153 Ų | 153 | 158.9 Ų | 158.9 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -127.6 | 145.6 | 137.5 | -74 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 346 | S | 46.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 159.4 Ų | 159.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -91.7 | 152.6 | -153.4 | 56.9 | 0 | 0 | 0 | 0 | 115.7 | F348 | S346-F348 PolarHBondContact O-N 3.02Š| ||
| 347 | K | 43.8 | Very low | 43.8 | Very low | 206 Ų | 206 | 158.2 Ų | 158.2 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -68.5 | 112.5 | 175.5 | -61.3 | 170.3 | -177.5 | 171.1 | 0 | 110.4 | ||||
| 348 | F | 43.9 | Very low | 43 | Very low | 204 Ų | 204 | 154.5 Ų | 154.5 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -93.3 | 111.6 | 158.7 | 65.8 | -91 | 0 | 0 | 0 | 109.9 | S346 | S346-F348 PolarHBondContact O-N 3.02Š| ||
| 349 | K | 42.4 | Very low | 42.1 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -111 | 103.7 | -174.1 | -166 | 177.8 | -177.1 | -178.4 | 0 | 110.9 | ||||
| 350 | K | 41.4 | Very low | 40.5 | Very low | 178 Ų | 178 | 156 Ų | 156 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | trans | 40.2 | 107.6 | 148.5 | -176.4 | 180 | 179.6 | 175.6 | 0 | 117.3 | ||||
| 351 | K | 39.6 | Very low | 39 | Very low | 219 Ų | 219 | 156.9 Ų | 156.9 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | trans | -109.5 | 120.2 | 142.5 | -85.7 | -167 | 174 | -178 | 0 | 110.2 | ||||
| 352 | K | 35.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | trans | -93.5 | 131.3 | 165.4 | 174.6 | -174 | 177.5 | -175.7 | 0 | 106.6 | ||||
| 353 | K | 38 | Very low | 37.1 | Very low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -118.6 | 145.8 | 161.6 | -152.7 | -177.5 | -179.2 | -167 | 0 | 107.7 | ||||
| 354 | K | 36.8 | Very low | 36.9 | Very low | 135 Ų | 135 | 156 Ų | 156 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | trans | -146.6 | 139.7 | -178.8 | -171 | -167.8 | 174.2 | -121.6 | 0 | 106.7 | ||||
| 355 | E | 33.8 | Very low | 35.9 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | trans | 63.5 | 160.6 | 174.2 | -72.2 | 142 | 165.7 | 0 | 0 | 115 | ||||
| 356 | T | 27.5 | Very low | 35.1 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | cis | -133.4 | 157.1 | 15.7 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 357 | S | 27.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 26.7 | 142.4 | 142 | 65.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 358 | G | 27.2 | Very low | 33.9 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 172.1 | 85.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 359 | E | 29.1 | Very low | 33.7 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -84.5 | 136.8 | 166.9 | -66.1 | 170.2 | 154.9 | 0 | 0 | 109.9 | ||||
| 360 | A | 30.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | trans | -157.7 | 130.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 361 | E | 30 | Very low | 33.4 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -112.6 | -173.8 | -178.4 | -161.3 | -179.7 | -130 | 0 | 0 | 109.3 | ||||
| 362 | V | 31.5 | Very low | 33.9 | Very low | 117 Ų | 117 | 141 Ų | 141 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 73.8 | 129.8 | 161.1 | 168 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 363 | D | 32.3 | Very low | 33.8 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | cis | -160.3 | 162.1 | 9.2 | -137.6 | -15.6 | 0 | 0 | 0 | 112.8 | ||||
| 364 | K | 38.4 | Very low | 34 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | trans | 55.1 | 158.2 | 144.6 | -78.1 | 169 | -175.8 | 67.3 | 0 | 122.3 | ||||
| 365 | E | 29.6 | Very low | 34.5 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -170.2 | 156.6 | -34.5 | -121 | 168.2 | -157.1 | 0 | 0 | 107.1 | ||||
| 366 | G | 31.5 | Very low | 35.1 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 164.3 | 97.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 367 | E | 33.9 | Very low | 36.2 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -76.6 | 146.4 | 175.4 | -72.8 | -159.4 | 102.8 | 0 | 0 | 113.5 | K369 | E367-K369 WeakPolarHBondContact OE1-CE 3.26Å; E367-K369 IonicContact OE1-NZ 3.28Å; E367-K369 PolarHBondContact OE1-NZ 2.96Å; E367-K369 IonicContact OE2-NZ 3.07Å | ||
| 368 | G | 32.7 | Very low | 37.6 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -165.3 | 86 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 369 | K | 40.1 | Very low | 39.2 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -84 | 130.6 | -170.7 | -70.1 | 164.9 | 170.5 | 142.7 | 0 | 113.5 | E367 | E367-K369 WeakPolarHBondContact OE1-CE 3.26Å; E367-K369 IonicContact OE1-NZ 3.28Å; E367-K369 PolarHBondContact OE1-NZ 2.96Å; E367-K369 IonicContact OE2-NZ 3.07Å | ||
| 370 | K | 34.8 | Very low | 40.6 | Very low | 210 Ų | 210 | 132.6 Ų | 132.6 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -176.5 | 135.2 | 138.6 | -101.6 | 160.5 | -171.8 | -178.6 | 0 | 112.1 | ||||
| 371 | D | 42.7 | Very low | 42.3 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -100 | 173.6 | 175.3 | -95.5 | -56.8 | 0 | 0 | 0 | 111.6 | ||||
| 372 | P | 48.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | cis | -127.5 | 168.9 | -11.1 | 31.5 | -13.2 | 0 | 0 | 0 | 114.5 | ||||
| 373 | G | 33.5 | Very low | 46.3 | Very low | 65 Ų | 65 | 128.3 Ų | 128.3 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | trans | 173 | 128.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P375 | G373-P375 WeakPolarHBondContact O-CD 3.39Š| ||
| 374 | D | 42.6 | Very low | 48.1 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -66.6 | 124.7 | -166.5 | -74.5 | -89.8 | 0 | 0 | 0 | 116.7 | ||||
| 375 | P | 46.7 | Very low | 49.8 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -115.7 | 81.3 | 171.6 | 36.4 | -22 | 0 | 0 | 0 | 111.7 | G373 | G373-P375 WeakPolarHBondContact O-CD 3.39Š| ||
| 376 | K | 47.1 | Very low | 52.4 | Low | 163 Ų | 163 | 123.6 Ų | 123.6 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | trans | -124.4 | -12.1 | 176.6 | -74.3 | 177.3 | -177 | 160.5 | 0 | 115.6 | ||||
| 377 | T | 50 | Low | 53.9 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -79.6 | -50.8 | -176 | 44.1 | 0 | 0 | 0 | 0 | 113.7 | K379 L380 Q381 | T377-K379 PolarHBondContact O-N 2.86Å; T377-L380 PolarHBondContact O-N 3.19Å; T377-Q381 PolarHBondContact O-N 3.38Å; T377-Q381 VanDerWaalsContact O-N 3.09Å |
| 378 | D | 56 | Low | 55.6 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -55.6 | -31.8 | -171.1 | -73 | -28.8 | 0 | 0 | 0 | 114.6 | L380 Q381 S382 | D378-L380 VanDerWaalsContact C-N 3.31Å; D378-L380 PolarHBondContact O-N 3.04Å; D378-Q381 PolarHBondContact O-N 3.38Å; D378-S382 WeakPolarHBondContact O-CB 3.35Å; D378-S382 PolarHBondContact O-N 3.28Å; D378-S382 PolarHBondContact O-OG 3.41Å |
| 379 | K | 62.1 | Low | 57.1 | Low | 158 Ų | 158 | 119.8 Ų | 119.8 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.2 | -20.9 | -177.1 | -158.3 | 168.8 | -173 | 174 | 0 | 113.3 | T377 Q383 | T377-K379 PolarHBondContact O-N 2.86Å; K379-Q383 WeakPolarHBondContact O-CG 3.27Å |
| 380 | L | 58.8 | Low | 58.3 | Low | 119 Ų | 119 | 119 Ų | 119 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -89 | -41.6 | 168.9 | -65 | 176.6 | 0 | 0 | 0 | 110.4 | T377 D378 S382 Q383 L384 | T377-L380 PolarHBondContact O-N 3.19Å; D378-L380 VanDerWaalsContact C-N 3.31Å; D378-L380 PolarHBondContact O-N 3.04Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-S382 PolarHBondContact O-N 2.92Å; L380-Q383 PolarHBondContact O-N 3.01Å; L380-Q383 VanDerWaalsContact O-N 3.16Å; L380-L384 PolarHBondContact O-N 3.24Å |
| 381 | Q | 66.8 | Low | 59.4 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.1 | -48.9 | 176.1 | -153 | 79.1 | 5.2 | 0 | 0 | 112 | T377 D378 L384 D385 | T377-Q381 PolarHBondContact O-N 3.38Å; T377-Q381 VanDerWaalsContact O-N 3.09Å; D378-Q381 PolarHBondContact O-N 3.38Å; Q381-L384 PolarHBondContact O-N 3.05Å; Q381-D385 PolarHBondContact O-N 3.42Å |
| 382 | S | 70.3 | Confident | 60.1 | Low | 68 Ų | 68 | 115.3 Ų | 115.3 | 48% | 0.476 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.9 | -34.3 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | D378 L380 E386 | D378-S382 WeakPolarHBondContact O-CB 3.35Å; D378-S382 PolarHBondContact O-N 3.28Å; D378-S382 PolarHBondContact O-OG 3.41Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-S382 PolarHBondContact O-N 2.92Å; S382-E386 WeakPolarHBondContact O-CB 3.43Å; S382-E386 PolarHBondContact O-N 2.84Å |
| 383 | Q | 73.6 | Confident | 60.1 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.9 | -33.1 | 174.1 | -73.2 | -176.7 | 2 | 0 | 0 | 112.3 | K379 L380 L387 | K379-Q383 WeakPolarHBondContact O-CG 3.27Å; L380-Q383 PolarHBondContact O-N 3.01Å; L380-Q383 VanDerWaalsContact O-N 3.16Å; Q383-L387 WeakPolarHBondContact O-CB 3.15Å; Q383-L387 VanDerWaalsContact O-CG 3.24Å; Q383-L387 WeakPolarHBondContact O-CG 3.37Å; Q383-L387 PolarHBondContact O-N 3.31Å |
| 384 | L | 70.7 | Confident | 61.1 | Low | 114 Ų | 114 | 118 Ų | 118 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.5 | -42.3 | 176.3 | -131.6 | 153.5 | 0 | 0 | 0 | 111.1 | L380 Q381 L387 E388 | L380-L384 PolarHBondContact O-N 3.24Å; Q381-L384 PolarHBondContact O-N 3.05Å; L384-L387 PolarHBondContact O-N 3.26Å; L384-E388 PolarHBondContact O-N 3.02Å |
| 385 | D | 75 | Confident | 61.2 | Low | 108 Ų | 108 | 117.2 Ų | 117.2 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.8 | -37.2 | 174 | -170.4 | 60.3 | 0 | 0 | 0 | 112.9 | Q381 L387 E388 S389 | Q381-D385 PolarHBondContact O-N 3.42Å; D385-L387 VanDerWaalsContact C-N 3.33Å; D385-L387 PolarHBondContact O-N 3.12Å; D385-E388 PolarHBondContact O-N 3.47Å; D385-S389 VanDerWaalsContact O-CB 3.28Å; D385-S389 WeakPolarHBondContact O-CB 3.25Å; D385-S389 PolarHBondContact O-N 2.91Å; D385-S389 PolarHBondContact O-OG 3.02Å |
| 386 | E | 83.1 | Confident | 61.3 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.5 | -38.6 | 172 | -160.4 | -154.6 | 118.8 | 0 | 0 | 111.6 | S382 S389 R390 | S382-E386 WeakPolarHBondContact O-CB 3.43Å; S382-E386 PolarHBondContact O-N 2.84Å; E386-S389 WeakPolarHBondContact CA-OG 3.47Å; E386-S389 PolarHBondContact O-OG 3.45Å; E386-S389 VanDerWaalsContact O-OG 3.1Å; E386-R390 WeakPolarHBondContact O-CB 3.45Å; E386-R390 VanDerWaalsContact O-CD 3.24Å; E386-R390 WeakPolarHBondContact O-CD 3.42Å; E386-R390 WeakPolarHBondContact O-CG 3.39Å; E386-R390 PolarHBondContact O-N 3.13Å; E386-R390 VanDerWaalsContact O-N 3.11Å; E386-R390 IonicContact OE1-CZ 3.72Å; E386-R390 IonicContact OE1-NH1 3.78Å; E386-R390 PolarHBondContact OE1-NH1 3.03Å |
| 387 | L | 64.1 | Low | 61.4 | Low | 90 Ų | 90 | 117.8 Ų | 117.8 | 47% | 0.471 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72 | -41.9 | 176.9 | -72.5 | 172.3 | 0 | 0 | 0 | 112.3 | Q383 L384 D385 R390 L391 | Q383-L387 WeakPolarHBondContact O-CB 3.15Å; Q383-L387 VanDerWaalsContact O-CG 3.24Å; Q383-L387 WeakPolarHBondContact O-CG 3.37Å; Q383-L387 PolarHBondContact O-N 3.31Å; L384-L387 PolarHBondContact O-N 3.26Å; D385-L387 VanDerWaalsContact C-N 3.33Å; D385-L387 PolarHBondContact O-N 3.12Å; L387-R390 PolarHBondContact O-N 3.29Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CG 3.23Å; L387-L391 PolarHBondContact O-N 2.67Å |
| 388 | E | 67.8 | Low | 61.3 | Low | 83 Ų | 83 | 119.6 Ų | 119.6 | 39% | 0.388 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.7 | -48.9 | 173.6 | -82.8 | -138.7 | 109.6 | 0 | 0 | 112 | L384 D385 R390 L391 K392 | L384-E388 PolarHBondContact O-N 3.02Å; D385-E388 PolarHBondContact O-N 3.47Å; E388-R390 VanDerWaalsContact C-N 3.28Å; E388-R390 PolarHBondContact O-N 3.32Å; E388-L391 PolarHBondContact O-N 2.86Å; E388-L391 VanDerWaalsContact O-N 3.1Å; E388-K392 HydrophobicContact CB-CD 4.37Å; E388-K392 VanDerWaalsContact CD-CE 3.48Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 VanDerWaalsContact O-CG 3.25Å; E388-K392 WeakPolarHBondContact O-CG 3.31Å; E388-K392 PolarHBondContact O-N 3.3Å; E388-K392 WeakPolarHBondContact OE1-CE 3.48Å; E388-K392 IonicContact OE1-NZ 3Å; E388-K392 PolarHBondContact OE1-NZ 3.17Å; E388-K392 IonicContact OE2-NZ 4Å; E388-K392 PolarHBondContact OE2-NZ 3.21Å |
| 389 | S | 64.6 | Low | 61 | Low | 65 Ų | 65 | 122.2 Ų | 122.2 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.6 | -33.2 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | D385 E386 | D385-S389 VanDerWaalsContact O-CB 3.28Å; D385-S389 WeakPolarHBondContact O-CB 3.25Å; D385-S389 PolarHBondContact O-N 2.91Å; D385-S389 PolarHBondContact O-OG 3.02Å; E386-S389 WeakPolarHBondContact CA-OG 3.47Å; E386-S389 PolarHBondContact O-OG 3.45Å; E386-S389 VanDerWaalsContact O-OG 3.1Å |
| 390 | R | 66.3 | Low | 60.6 | Low | 149 Ų | 149 | 119 Ų | 119 | 56% | 0.562 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.2 | -44.1 | 169.7 | -75.5 | 165.2 | 57.1 | -172 | -8.3 | 112.3 | E386 L387 E388 S393 | E386-R390 WeakPolarHBondContact O-CB 3.45Å; E386-R390 VanDerWaalsContact O-CD 3.24Å; E386-R390 WeakPolarHBondContact O-CD 3.42Å; E386-R390 WeakPolarHBondContact O-CG 3.39Å; E386-R390 PolarHBondContact O-N 3.13Å; E386-R390 VanDerWaalsContact O-N 3.11Å; E386-R390 IonicContact OE1-CZ 3.72Å; E386-R390 IonicContact OE1-NH1 3.78Å; E386-R390 PolarHBondContact OE1-NH1 3.03Å; L387-R390 PolarHBondContact O-N 3.29Å; E388-R390 VanDerWaalsContact C-N 3.28Å; E388-R390 PolarHBondContact O-N 3.32Å; R390-S393 PolarHBondContact O-OG 3.02Å |
| 391 | L | 56.5 | Low | 60.5 | Low | 154 Ų | 154 | 120.2 Ų | 120.2 | 81% | 0.806 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.5 | -34 | 179.9 | -74.3 | 168.4 | 0 | 0 | 0 | 113.7 | L387 E388 S393 | L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CG 3.23Å; L387-L391 PolarHBondContact O-N 2.67Å; E388-L391 PolarHBondContact O-N 2.86Å; E388-L391 VanDerWaalsContact O-N 3.1Å; L391-S393 PolarHBondContact O-N 2.96Å |
| 392 | K | 57.6 | Low | 60.2 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 59% | 0.591 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -3.7 | 179.2 | -69.2 | 169.2 | -178.5 | 176.5 | 0 | 113.3 | E388 K394 | E388-K392 HydrophobicContact CB-CD 4.37Å; E388-K392 VanDerWaalsContact CD-CE 3.48Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 VanDerWaalsContact O-CG 3.25Å; E388-K392 WeakPolarHBondContact O-CG 3.31Å; E388-K392 PolarHBondContact O-N 3.3Å; E388-K392 WeakPolarHBondContact OE1-CE 3.48Å; E388-K392 IonicContact OE1-NZ 3Å; E388-K392 PolarHBondContact OE1-NZ 3.17Å; E388-K392 IonicContact OE2-NZ 4Å; E388-K392 PolarHBondContact OE2-NZ 3.21Å; K392-K394 PolarHBondContact O-N 3.32Å |
| 393 | S | 48.7 | Very low | 59 | Low | 70 Ų | 70 | 121.6 Ų | 121.6 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -79 | 92.3 | -174.4 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | R390 L391 | R390-S393 PolarHBondContact O-OG 3.02Å; L391-S393 PolarHBondContact O-N 2.96Å |
| 394 | K | 55.1 | Low | 58.2 | Low | 178 Ų | 178 | 121 Ų | 121 | 77% | 0.774 | 65% | 0.649 | S | S | * | * | trans | 90.4 | 112.9 | 174.6 | -53.2 | 141.9 | -171.7 | 156.4 | 0 | 114.8 | K392 L396 | K392-K394 PolarHBondContact O-N 3.32Å; K394-L396 PolarHBondContact O-N 2.7Å; K394-L396 VanDerWaalsContact O-N 3.1Å | ||
| 395 | P | 45.5 | Very low | 57.5 | Low | 124 Ų | 124 | 121.6 Ų | 121.6 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | trans | -68.7 | 107.2 | 161.2 | 29.2 | -31.9 | 0 | 0 | 0 | 109.1 | T397 | P395-T397 PolarHBondContact O-N 2.59Š| ||
| 396 | L | 48 | Very low | 56.5 | Low | 158 Ų | 158 | 123.6 Ų | 123.6 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | trans | -67.8 | 100.8 | 167 | -84.2 | 165.6 | 0 | 0 | 0 | 108.5 | K394 V398 | K394-L396 PolarHBondContact O-N 2.7Å; K394-L396 VanDerWaalsContact O-N 3.1Å; L396-V398 VanDerWaalsContact C-N 3.25Å; L396-V398 PolarHBondContact O-N 2.87Å | ||
| 397 | T | 49.9 | Very low | 55 | Low | 130 Ų | 130 | 122.3 Ų | 122.3 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | trans | -64.4 | 88.6 | 168.9 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | P395 Q399 | P395-T397 PolarHBondContact O-N 2.59Å; T397-Q399 PolarHBondContact O-N 2.94Å | ||
| 398 | V | 47.7 | Very low | 53.9 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | -66.8 | 81 | 169.1 | -76.8 | 0 | 0 | 0 | 0 | 108.9 | L396 S400 | L396-V398 VanDerWaalsContact C-N 3.25Å; L396-V398 PolarHBondContact O-N 2.87Å; V398-S400 VanDerWaalsContact C-N 3.32Å; V398-S400 PolarHBondContact O-N 2.92Å | ||
| 399 | Q | 48.7 | Very low | 52.9 | Low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | -66.7 | 93 | 179.8 | -167.1 | 173.6 | 34 | 0 | 0 | 108.5 | T397 V401 | T397-Q399 PolarHBondContact O-N 2.94Å; Q399-V401 PolarHBondContact O-N 3.27Å | ||
| 400 | S | 55 | Low | 51.9 | Low | 89 Ų | 89 | 136.2 Ų | 136.2 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | -58.9 | 110 | -179.5 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | V398 F402 | V398-S400 VanDerWaalsContact C-N 3.32Å; V398-S400 PolarHBondContact O-N 2.92Å; S400-F402 PolarHBondContact O-N 2.79Å; S400-F402 VanDerWaalsContact O-N 3.09Å | ||
| 401 | V | 56.1 | Low | 50.7 | Low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 10.1 | 178.2 | -133.2 | 0 | 0 | 0 | 0 | 112.3 | Q399 C403 | Q399-V401 PolarHBondContact O-N 3.27Å; V401-C403 PolarHBondContact O-N 2.93Å | ||
| 402 | F | 59.7 | Low | 49.7 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -82.8 | 100.8 | -178.4 | -167.2 | -101.4 | 0 | 0 | 0 | 111.3 | S400 S404 | S400-F402 PolarHBondContact O-N 2.79Å; S400-F402 VanDerWaalsContact O-N 3.09Å; F402-S404 PolarHBondContact O-N 2.84Å |
| 403 | C | 46.3 | Very low | 49 | Very low | 67 Ų | 67 | 135.6 Ų | 135.6 | 45% | 0.453 | 78% | 0.777 | S | S | . | * | trans | 61.4 | 34.5 | 154.9 | -59.3 | 0 | 0 | 0 | 0 | 117.9 | V401 S405 L406 | V401-C403 PolarHBondContact O-N 2.93Å; C403-S405 PolarHBondContact O-N 2.83Å; C403-L406 HydrophobicContact CB-CD1 4.2Å; C403-L406 PolarHBondContact O-N 3.19Å; C403-L406 VanDerWaalsContact O-N 3.15Å | ||
| 404 | S | 56 | Low | 48.4 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -54.1 | -26.2 | 172.1 | -43.8 | 0 | 0 | 0 | 0 | 113.7 | F402 L406 A407 | F402-S404 PolarHBondContact O-N 2.84Å; S404-L406 PolarHBondContact O-N 3.2Å; S404-A407 WeakPolarHBondContact O-CB 3.24Å; S404-A407 PolarHBondContact O-N 2.87Å |
| 405 | S | 56.8 | Low | 47.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -69.6 | -3.1 | 179.6 | -47.4 | 0 | 0 | 0 | 0 | 115.5 | C403 | C403-S405 PolarHBondContact O-N 2.83Š|
| 406 | L | 53.2 | Low | 47 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -92.6 | -7.2 | 173.3 | -64.2 | 178.4 | 0 | 0 | 0 | 113.4 | C403 S404 G408 | C403-L406 HydrophobicContact CB-CD1 4.2Å; C403-L406 PolarHBondContact O-N 3.19Å; C403-L406 VanDerWaalsContact O-N 3.15Å; S404-L406 PolarHBondContact O-N 3.2Å; L406-G408 PolarHBondContact O-N 3.05Å |
| 407 | A | 51.5 | Low | 46.7 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -78.7 | 58.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S404 R409 | S404-A407 WeakPolarHBondContact O-CB 3.24Å; S404-A407 PolarHBondContact O-N 2.87Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 2.95Å | ||
| 408 | G | 40.9 | Very low | 45.9 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -69.6 | 72.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L406 K410 | L406-G408 PolarHBondContact O-N 3.05Å; G408-K410 PolarHBondContact O-N 2.76Å; G408-K410 VanDerWaalsContact O-N 3.11Å | ||
| 409 | R | 46.7 | Very low | 45.6 | Very low | 246 Ų | 246 | 135.2 Ų | 135.2 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -68.3 | 102.7 | 176.2 | -84.4 | -173.9 | 165.3 | -102.7 | -1.8 | 112.6 | A407 G411 | A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 2.95Å; R409-G411 PolarHBondContact O-N 2.75Å | ||
| 410 | K | 43.7 | Very low | 44.9 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -91.6 | 89.7 | 174.6 | -173.5 | -173.9 | 176.3 | -175.5 | 0 | 112.5 | G408 | G408-K410 PolarHBondContact O-N 2.76Å; G408-K410 VanDerWaalsContact O-N 3.11Å | ||
| 411 | G | 41.6 | Very low | 43.8 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 77.4 | 131.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | R409 | R409-G411 PolarHBondContact O-N 2.75Š| ||
| 412 | G | 35.8 | Very low | 42.9 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -171.8 | 131.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 413 | R | 42 | Very low | 41.8 | Very low | 262 Ų | 262 | 133.7 Ų | 133.7 | 99% | 0.989 | 80% | 0.804 | S | S | * | * | trans | -115.3 | 146.1 | -179.6 | -84.7 | -178.4 | 167.9 | -178.3 | -3.8 | 110.8 | ||||
| 414 | G | 37 | Very low | 41.2 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 131 | 131.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 415 | G | 35.2 | Very low | 39.9 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | cis | 89.4 | 124.5 | 23.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 416 | D | 36.1 | Very low | 39 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | cis | -155.3 | 175.2 | 3.5 | 171.2 | -125.5 | 0 | 0 | 0 | 108.9 | ||||
| 417 | K | 41 | Very low | 38.6 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 81% | 0.809 | 83% | 0.83 | S | S | * | * | trans | 74.4 | 126 | -179.9 | -56 | 159.6 | -174.2 | 163.2 | 0 | 114.4 | ||||
| 418 | G | 33.9 | Very low | 37.6 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | cis | 99.9 | 81.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 419 | K | 41 | Very low | 37.5 | Very low | 217 Ų | 217 | 137.1 Ų | 137.1 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -158.4 | 121.8 | 146.6 | -122 | 179.6 | -177 | -179.2 | 0 | 109.5 | ||||
| 420 | G | 33.6 | Very low | 37 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -105.1 | 168 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 421 | M | 32.6 | Very low | 36.9 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -140.6 | 142.1 | 160.2 | -174.1 | 53.1 | 65.4 | 0 | 0 | 109 | ||||
| 422 | S | 36.5 | Very low | 36.6 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | -118.6 | 145.7 | -167.2 | 55.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 423 | K | 36.6 | Very low | 36.5 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -174.1 | 102.3 | 148.5 | -100.6 | 154.4 | -177.2 | -175.7 | 0 | 107.4 | ||||
| 424 | S | 33.7 | Very low | 35.9 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | 76.8 | 107.5 | 71.3 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 425 | G | 29.4 | Very low | 35.7 | Very low | 87 Ų | 87 | 123 Ų | 123 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | 176.3 | 71.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 426 | A | 36.4 | Very low | 35.9 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -123.7 | 153.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 427 | P | 45.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | cis | -119.1 | 177.8 | 43.2 | 23.7 | -2.2 | 0 | 0 | 0 | 113.2 | ||||
| 428 | G | 30.1 | Very low | 36 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | 124.9 | 124.9 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 429 | N | 38.8 | Very low | 36 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -151.3 | 150.9 | 168.9 | -166.9 | 14.8 | 0 | 0 | 0 | 110.2 | ||||
| 430 | S | 37.3 | Very low | 35.8 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | -134.2 | 142.8 | -176 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 431 | K | 41.1 | Very low | 36.3 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -174.5 | 129.7 | 151.1 | -107.7 | 155.6 | -173.9 | 177.9 | 0 | 113.6 | ||||
| 432 | T | 35.3 | Very low | 36.3 | Very low | 137 Ų | 137 | 119.6 Ų | 119.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | 28.6 | 139.1 | 139.2 | 54 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 433 | G | 32.5 | Very low | 36.4 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | 164.1 | -177.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 434 | G | 31 | Very low | 36.5 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 93 | 135.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 435 | G | 31 | Very low | 36.9 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | 96 | 124.2 | 13.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 436 | L | 40.4 | Very low | 37.1 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | cis | -126 | 152.1 | 16.6 | -62.5 | 108.8 | 0 | 0 | 0 | 110.1 | ||||
| 437 | N | 39.5 | Very low | 37.2 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | 64.7 | 86.8 | 61.8 | -87.8 | -0.2 | 0 | 0 | 0 | 115.5 | |||||
| 438 | D | 39.7 | Very low | 37 | Very low | 178 Ų | 178 | 136 Ų | 136 | 95% | 0.952 | 82% | 0.82 | S | S | * | * | trans | -157.8 | 149.4 | 148.9 | -99.9 | -43.6 | 0 | 0 | 0 | 109.2 | ||||
| 439 | G | 34.3 | Very low | 37.4 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | cis | 178.2 | -15.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 440 | D | 37.3 | Very low | 37.4 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -138.8 | 157.9 | -176.8 | -174.1 | -122.9 | 0 | 0 | 0 | 115.4 | ||||
| 441 | S | 42.3 | Very low | 37.4 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -146 | 60 | -172.6 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | K443 | S441-K443 PolarHBondContact O-N 3Å; S441-K443 VanDerWaalsContact O-N 3.1Å | ||
| 442 | G | 33 | Very low | 37.1 | Very low | 66 Ų | 66 | 145.8 Ų | 145.8 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | trans | -70.5 | 93 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | L444 | G442-L444 PolarHBondContact O-N 2.81Š| ||
| 443 | K | 39 | Very low | 37.6 | Very low | 200 Ų | 200 | 146 Ų | 146 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | trans | -70.8 | 102.7 | 169.6 | -71.6 | 179.6 | -179.2 | 173.2 | 0 | 112.1 | S441 K445 | S441-K443 PolarHBondContact O-N 3Å; S441-K443 VanDerWaalsContact O-N 3.1Å; K443-K445 PolarHBondContact O-N 3.04Å | ||
| 444 | L | 39.3 | Very low | 37.9 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.1 | 170.7 | -70 | 174.6 | 0 | 0 | 0 | 111.6 | G442 | G442-L444 PolarHBondContact O-N 2.81Š|
| 445 | K | 40.5 | Very low | 38.4 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 153.6 | 172.7 | -68.8 | 179 | 179.6 | 175.3 | 0 | 110.4 | K443 A447 | K443-K445 PolarHBondContact O-N 3.04Å; K445-A447 PolarHBondContact O-N 3.25Å |
| 446 | F | 34.6 | Very low | 39.2 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 97% | 0.965 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129.2 | 171.8 | -72.3 | -100.4 | 0 | 0 | 0 | 111.3 | ||
| 447 | A | 39.2 | Very low | 39.7 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -119.1 | 124.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108 | K445 | K445-A447 PolarHBondContact O-N 3.25Š| ||
| 448 | K | 41.1 | Very low | 40.5 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -89.5 | 124.4 | -177.5 | 178.6 | -163.6 | 174.5 | -157.8 | 0 | 109.3 | E450 | K448-E450 VanDerWaalsContact CE-CD 3.5Å; K448-E450 WeakPolarHBondContact CE-OE2 3.39Å; K448-E450 IonicContact NZ-OE2 2.64Å; K448-E450 PolarHBondContact NZ-OE2 2.94Å | ||
| 449 | Q | 39 | Very low | 41.4 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -139.8 | 134.1 | 156.6 | -162.3 | 164.2 | -0.3 | 0 | 0 | 110.4 | ||||
| 450 | E | 38.6 | Very low | 42.8 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 66% | 0.659 | 80% | 0.797 | S | S | * | * | trans | -94.4 | 123.7 | -176.3 | -72.7 | 166.6 | 94.5 | 0 | 0 | 110.5 | K448 | K448-E450 VanDerWaalsContact CE-CD 3.5Å; K448-E450 WeakPolarHBondContact CE-OE2 3.39Å; K448-E450 IonicContact NZ-OE2 2.64Å; K448-E450 PolarHBondContact NZ-OE2 2.94Å | ||
| 451 | N | 36 | Very low | 44.3 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -160.1 | 103.6 | 137.5 | -108.4 | -26.3 | 0 | 0 | 0 | 110.4 | ||||
| 452 | R | 34.8 | Very low | 45.8 | Very low | 236 Ų | 236 | 143.7 Ų | 143.7 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -86.2 | 136.9 | 155.1 | -62.6 | 177.9 | 176.4 | -172 | -2.1 | 104.9 | ||||
| 453 | T | 46 | Very low | 47.8 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | cis | -139 | 122.2 | 44.6 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 454 | S | 40 | Very low | 49.4 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -135.6 | 134 | 149.4 | 60.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 455 | N | 40.5 | Very low | 51 | Low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -122.1 | 91.1 | -175.7 | -176.7 | 49.5 | 0 | 0 | 0 | 110.2 | S457 | N455-S457 VanDerWaalsContact C-N 3.32Å; N455-S457 PolarHBondContact ND2-OG 2.73Å; N455-S457 PolarHBondContact O-N 2.73Å | ||
| 456 | P | 47.5 | Very low | 52.9 | Low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -83.1 | 71.9 | -176.3 | 34.3 | -35 | 0 | 0 | 0 | 110.9 | ||||
| 457 | S | 50.5 | Low | 55 | Low | 69 Ų | 69 | 127.2 Ų | 127.2 | 48% | 0.483 | 70% | 0.697 | S | S | . | * | trans | -135.2 | 32.5 | -174.3 | 81.9 | 0 | 0 | 0 | 0 | 115.8 | N455 | N455-S457 VanDerWaalsContact C-N 3.32Å; N455-S457 PolarHBondContact ND2-OG 2.73Å; N455-S457 PolarHBondContact O-N 2.73Å | ||
| 458 | Q | 56.8 | Low | 56.9 | Low | 167 Ų | 167 | 125.7 Ų | 125.7 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -140.8 | 131 | 155.3 | -71.7 | -66.3 | -85.8 | 0 | 0 | 108 | A460 | Q458-A460 PolarHBondContact O-N 2.9Š|
| 459 | P | 58.9 | Low | 58.9 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 130.3 | 162.8 | 29.6 | -31.5 | 0 | 0 | 0 | 108.2 | L461 | P459-L461 PolarHBondContact O-N 2.86Š|
| 460 | A | 64 | Low | 60.9 | Low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q458 | Q458-A460 PolarHBondContact O-N 2.9Š|
| 461 | L | 68.9 | Low | 62.9 | Low | 62 Ų | 62 | 123.4 Ų | 123.4 | 33% | 0.325 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 140 | 179.5 | -84.5 | 70.7 | 0 | 0 | 0 | 109 | P459 W465 E466 | P459-L461 PolarHBondContact O-N 2.86Å; L461-W465 HydrophobicContact CB-CE3 4.22Å; L461-W465 HydrophobicContact CD2-CD2 3.94Å; L461-W465 HydrophobicContact CD2-CE3 3.52Å; L461-W465 HydrophobicContact CD2-CG 4.42Å; L461-W465 HydrophobicContact CD2-CZ3 3.97Å; L461-W465 HydrophobicContact CG-CD2 4.47Å; L461-W465 HydrophobicContact CG-CE3 3.63Å; L461-W465 HydrophobicContact CG-CZ3 4.01Å; L461-E466 HydrophobicContact CB-CG 3.93Å |
| 462 | H | 73 | Confident | 65 | Low | 135 Ų | 135 | 123.4 Ų | 123.4 | 63% | 0.625 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.6 | 178.1 | -170.6 | -99 | 0 | 0 | 0 | 110.2 | S464 W465 E466 | H462-S464 PolarHBondContact ND1-OG 2.98Å; H462-S464 PolarHBondContact O-N 2.92Å; H462-W465 WeakPolarHBondContact O-CA 3.36Å; H462-W465 WeakPolarHBondContact O-CB 3.37Å; H462-W465 PolarHBondContact O-N 2.64Å; H462-E466 PolarHBondContact O-N 3.42Å |
| 463 | P | 75.6 | Confident | 67.1 | Low | 91 Ų | 91 | 118.1 Ų | 118.1 | 59% | 0.591 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -55.7 | -30.7 | -168.5 | -30.5 | 36.4 | 0 | 0 | 0 | 115.3 | W465 E466 A467 | P463-W465 VanDerWaalsContact C-N 3.25Å; P463-W465 PolarHBondContact O-N 3.22Å; P463-E466 PolarHBondContact O-N 3.09Å; P463-A467 WeakPolarHBondContact O-CB 3.27Å; P463-A467 PolarHBondContact O-N 2.86Å |
| 464 | S | 73.5 | Confident | 68.4 | Low | 80 Ų | 80 | 117.9 Ų | 117.9 | 56% | 0.559 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.2 | -28.5 | 174 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | H462 S468 | H462-S464 PolarHBondContact ND1-OG 2.98Å; H462-S464 PolarHBondContact O-N 2.92Å; S464-S468 WeakPolarHBondContact O-CB 3.41Å; S464-S468 PolarHBondContact O-N 2.78Å; S464-S468 VanDerWaalsContact O-N 3.12Å |
| 465 | W | 72.5 | Confident | 69.7 | Low | 170 Ų | 170 | 118 Ų | 118 | 64% | 0.644 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -85.1 | -36 | -179.3 | -150.8 | 20.4 | 0 | 0 | 0 | 111.7 | L461 H462 P463 S468 K469 | L461-W465 HydrophobicContact CB-CE3 4.22Å; L461-W465 HydrophobicContact CD2-CD2 3.94Å; L461-W465 HydrophobicContact CD2-CE3 3.52Å; L461-W465 HydrophobicContact CD2-CG 4.42Å; L461-W465 HydrophobicContact CD2-CZ3 3.97Å; L461-W465 HydrophobicContact CG-CD2 4.47Å; L461-W465 HydrophobicContact CG-CE3 3.63Å; L461-W465 HydrophobicContact CG-CZ3 4.01Å; H462-W465 WeakPolarHBondContact O-CA 3.36Å; H462-W465 WeakPolarHBondContact O-CB 3.37Å; H462-W465 PolarHBondContact O-N 2.64Å; P463-W465 VanDerWaalsContact C-N 3.25Å; P463-W465 PolarHBondContact O-N 3.22Å; W465-S468 WeakPolarHBondContact O-CB 3.27Å; W465-S468 PolarHBondContact O-N 3.43Å; W465-K469 PolarHBondContact O-N 2.83Å |
| 466 | E | 79.8 | Confident | 71 | Confident | 110 Ų | 110 | 114.9 Ų | 114.9 | 51% | 0.514 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.4 | -43.6 | 167.9 | -61.7 | -161.9 | 147.3 | 0 | 0 | 111.9 | L461 H462 P463 S468 K469 K470 | L461-E466 HydrophobicContact CB-CG 3.93Å; H462-E466 PolarHBondContact O-N 3.42Å; P463-E466 PolarHBondContact O-N 3.09Å; E466-S468 VanDerWaalsContact C-N 3.31Å; E466-S468 PolarHBondContact O-N 3.27Å; E466-K469 PolarHBondContact O-N 2.82Å; E466-K470 PolarHBondContact O-N 2.68Å |
| 467 | A | 78.3 | Confident | 71.6 | Confident | 60 Ų | 60 | 116.3 Ų | 116.3 | 50% | 0.496 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.4 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | P463 R471 | P463-A467 WeakPolarHBondContact O-CB 3.27Å; P463-A467 PolarHBondContact O-N 2.86Å; A467-R471 WeakPolarHBondContact O-CB 3.35Å; A467-R471 PolarHBondContact O-N 3.43Å |
| 468 | S | 80.1 | Confident | 72.2 | Confident | 70 Ų | 70 | 119.2 Ų | 119.2 | 49% | 0.49 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 174.2 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | S464 W465 E466 R471 K472 | S464-S468 WeakPolarHBondContact O-CB 3.41Å; S464-S468 PolarHBondContact O-N 2.78Å; S464-S468 VanDerWaalsContact O-N 3.12Å; W465-S468 WeakPolarHBondContact O-CB 3.27Å; W465-S468 PolarHBondContact O-N 3.43Å; E466-S468 VanDerWaalsContact C-N 3.31Å; E466-S468 PolarHBondContact O-N 3.27Å; S468-R471 PolarHBondContact O-N 3.33Å; S468-K472 PolarHBondContact O-N 3.33Å |
| 469 | K | 83.1 | Confident | 72.5 | Confident | 151 Ų | 151 | 119 Ų | 119 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.9 | -49.5 | 176.5 | -169.3 | 177.3 | 178.6 | -176.6 | 0 | 111.5 | W465 E466 R471 K472 E473 | W465-K469 PolarHBondContact O-N 2.83Å; E466-K469 PolarHBondContact O-N 2.82Å; K469-R471 VanDerWaalsContact C-N 3.32Å; K469-R471 PolarHBondContact O-N 3.1Å; K469-K472 PolarHBondContact O-N 3.29Å; K469-K472 VanDerWaalsContact O-N 3.15Å; K469-E473 WeakPolarHBondContact O-CB 3.39Å; K469-E473 PolarHBondContact O-N 3.08Å |
| 470 | K | 81.1 | Confident | 72.7 | Confident | 138 Ų | 138 | 118 Ų | 118 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.6 | -38.1 | 174.9 | -84.9 | -176.4 | 171.8 | 175.2 | 0 | 112.8 | E466 E473 Q474 | E466-K470 PolarHBondContact O-N 2.68Å; K470-E473 PolarHBondContact O-N 3.05Å; K470-Q474 WeakPolarHBondContact O-CG 3.14Å; K470-Q474 PolarHBondContact O-N 3.29Å |
| 471 | R | 80.4 | Confident | 72.8 | Confident | 166 Ų | 166 | 122.8 Ų | 122.8 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.1 | -41.7 | 175 | -175.5 | -179.8 | -179.3 | 178.6 | 3.3 | 112.1 | A467 S468 K469 Q475 | A467-R471 WeakPolarHBondContact O-CB 3.35Å; A467-R471 PolarHBondContact O-N 3.43Å; S468-R471 PolarHBondContact O-N 3.33Å; K469-R471 VanDerWaalsContact C-N 3.32Å; K469-R471 PolarHBondContact O-N 3.1Å; R471-Q475 WeakPolarHBondContact O-CG 3.48Å; R471-Q475 PolarHBondContact O-N 3.15Å; R471-Q475 VanDerWaalsContact O-N 3.12Å |
| 472 | K | 79.2 | Confident | 72.5 | Confident | 165 Ų | 165 | 128.8 Ų | 128.8 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.3 | -37.4 | 176.9 | -169.2 | 175.7 | -179.5 | -178.4 | 0 | 111.8 | S468 K469 Q475 G476 | S468-K472 PolarHBondContact O-N 3.33Å; K469-K472 PolarHBondContact O-N 3.29Å; K469-K472 VanDerWaalsContact O-N 3.15Å; K472-Q475 PolarHBondContact O-N 3.12Å; K472-G476 PolarHBondContact O-N 3.28Å |
| 473 | E | 78.6 | Confident | 72.6 | Confident | 124 Ų | 124 | 124.6 Ų | 124.6 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.3 | -48.8 | 174.5 | -173.1 | 169.4 | -147.4 | 0 | 0 | 111.7 | K469 K470 Q475 G476 Q477 | K469-E473 WeakPolarHBondContact O-CB 3.39Å; K469-E473 PolarHBondContact O-N 3.08Å; K470-E473 PolarHBondContact O-N 3.05Å; E473-Q475 VanDerWaalsContact C-N 3.27Å; E473-Q475 PolarHBondContact O-N 3.1Å; E473-G476 PolarHBondContact O-N 3.21Å; E473-Q477 PolarHBondContact O-N 3.48Å |
| 474 | Q | 74.8 | Confident | 72.6 | Confident | 137 Ų | 137 | 129.8 Ų | 129.8 | 64% | 0.64 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -59.3 | -35 | 173.6 | -73.8 | 174.8 | -12.6 | 0 | 0 | 113.2 | K470 Q477 | K470-Q474 WeakPolarHBondContact O-CG 3.14Å; K470-Q474 PolarHBondContact O-N 3.29Å; Q474-Q477 PolarHBondContact O-N 2.79Å |
| 475 | Q | 67.3 | Low | 72.3 | Confident | 117 Ų | 117 | 135.7 Ų | 135.7 | 55% | 0.547 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -74.2 | -29.5 | 174.9 | -72.9 | 178.5 | -28.4 | 0 | 0 | 113 | R471 K472 E473 Q477 I478 | R471-Q475 WeakPolarHBondContact O-CG 3.48Å; R471-Q475 PolarHBondContact O-N 3.15Å; R471-Q475 VanDerWaalsContact O-N 3.12Å; K472-Q475 PolarHBondContact O-N 3.12Å; E473-Q475 VanDerWaalsContact C-N 3.27Å; E473-Q475 PolarHBondContact O-N 3.1Å; Q475-Q477 VanDerWaalsContact C-N 3.32Å; Q475-I478 WeakPolarHBondContact O-CD1 3.42Å; Q475-I478 WeakPolarHBondContact O-CG1 3.49Å |
| 476 | G | 66.8 | Low | 72.5 | Confident | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.4 | -22.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K472 E473 I478 | K472-G476 PolarHBondContact O-N 3.28Å; E473-G476 PolarHBondContact O-N 3.21Å; G476-I478 VanDerWaalsContact C-N 3.3Å; G476-I478 PolarHBondContact O-N 3.07Å |
| 477 | Q | 61.6 | Low | 72.1 | Confident | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 12.2 | 179 | -154.2 | 170.8 | 12.1 | 0 | 0 | 113.6 | E473 Q474 Q475 L479 | E473-Q477 PolarHBondContact O-N 3.48Å; Q474-Q477 PolarHBondContact O-N 2.79Å; Q475-Q477 VanDerWaalsContact C-N 3.32Å; Q477-L479 PolarHBondContact O-N 3.38Å |
| 478 | I | 63 | Low | 71.4 | Confident | 130 Ų | 130 | 143.6 Ų | 143.6 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | trans | -67.8 | 104.2 | 170.5 | -62.5 | 173.4 | 0 | 0 | 0 | 108.3 | Q475 G476 A480 | Q475-I478 WeakPolarHBondContact O-CD1 3.42Å; Q475-I478 WeakPolarHBondContact O-CG1 3.49Å; G476-I478 VanDerWaalsContact C-N 3.3Å; G476-I478 PolarHBondContact O-N 3.07Å; I478-A480 PolarHBondContact O-N 3.48Å | ||
| 479 | L | 61.8 | Low | 70.9 | Confident | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -56.2 | 129.9 | 179.3 | -161.8 | 76.8 | 0 | 0 | 0 | 110.2 | Q477 F481 | Q477-L479 PolarHBondContact O-N 3.38Å; L479-F481 PolarHBondContact O-N 3.27Å | ||
| 480 | A | 63.7 | Low | 69.6 | Low | 85 Ų | 85 | 152 Ų | 152 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | -56.3 | 122.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I478 Q482 | I478-A480 PolarHBondContact O-N 3.48Å; A480-Q482 PolarHBondContact O-N 2.88Å | ||
| 481 | F | 64.9 | Low | 69 | Low | 196 Ų | 196 | 152.8 Ų | 152.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -68.8 | 95.9 | -172.8 | -176.2 | -100.7 | 0 | 0 | 0 | 111.3 | L479 G483 | L479-F481 PolarHBondContact O-N 3.27Å; F481-G483 PolarHBondContact O-N 3.4Å | ||
| 482 | Q | 64 | Low | 68.4 | Low | 188 Ų | 188 | 152.1 Ų | 152.1 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -72.6 | 75.9 | 172 | -67.7 | -167.9 | -0.9 | 0 | 0 | 110.4 | A480 K484 | A480-Q482 PolarHBondContact O-N 2.88Å; Q482-K484 PolarHBondContact O-N 2.77Å | ||
| 483 | G | 75.4 | Confident | 67.8 | Low | 47 Ų | 47 | 151.3 Ų | 151.3 | 49% | 0.485 | 77% | 0.771 | S | S | . | * | trans | -61.2 | 98.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F481 K485 | F481-G483 PolarHBondContact O-N 3.4Å; G483-K485 PolarHBondContact O-N 3.42Å; G483-K485 VanDerWaalsContact O-N 3.14Å | ||
| 484 | K | 75.1 | Confident | 67.2 | Low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -70.3 | 108 | 179.7 | -154.1 | 172.7 | -170.2 | 178 | 0 | 109 | Q482 I486 | Q482-K484 PolarHBondContact O-N 2.77Å; K484-I486 PolarHBondContact O-N 2.64Å | ||
| 485 | K | 67.8 | Low | 66.7 | Low | 204 Ų | 204 | 153.9 Ų | 153.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -61.5 | 109.8 | 178.9 | -78.4 | -174.8 | 173.9 | -179.2 | 0 | 110.3 | G483 | G483-K485 PolarHBondContact O-N 3.42Å; G483-K485 VanDerWaalsContact O-N 3.14Å | ||
| 486 | I | 76.6 | Confident | 66.7 | Low | 138 Ų | 138 | 156.4 Ų | 156.4 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 130.6 | 165.3 | -55.6 | 173.9 | 0 | 0 | 0 | 106.9 | K484 F488 | K484-I486 PolarHBondContact O-N 2.64Å; I486-F488 HydrophobicContact CG2-CE2 4.31Å |
| 487 | K | 70.4 | Confident | 66.7 | Low | 181 Ų | 181 | 162.6 Ų | 162.6 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 142.7 | 159.7 | -69.9 | -174.7 | 176.7 | -174.5 | 0 | 107.6 | ||
| 488 | F | 64.6 | Low | 67.1 | Low | 188 Ų | 188 | 162.9 Ų | 162.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 135.6 | 158.6 | -69.8 | -96.4 | 0 | 0 | 0 | 106.5 | I486 | I486-F488 HydrophobicContact CG2-CE2 4.31Š|
| 489 | D | 68.1 | Low | 67.4 | Low | 157 Ų | 157 | 165.7 Ų | 165.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 147.6 | 164.3 | -59.8 | -48.4 | 0 | 0 | 0 | 107.8 | ||
| 490 | D | 57 | Low | 67.9 | Low | 241 Ų | 241 | 165.9 Ų | 165.9 | 100% | 1.289 | 83% | 0.83 | S | S | * | * | trans | -104.9 | 0 | -170.2 | -170.1 | 51.4 | 0 | 0 | 0 | 110.5 |
Retrieved 490 of 490 residues in 644.8 ms
(Link to these results)