Viewing Calx-beta-6-multi.table
| All-Atom Contacts |
Clashscore, all atoms: | 35.97 | 0th percentile* (N=24, 0Å - 0.9Å) |
| Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | |||
| Protein Geometry |
Poor rotamers | 0.00% | Goal: <1% |
| Ramachandran outliers | 2.38% | Goal: <0.2% | |
| Ramachandran favored | 91.67% | Goal: >98% | |
| Cβ deviations >0.25Å | 0 | Goal: 0 | |
| MolProbity score^ | 2.53 | 3rd percentile* (N=159, -0.24Å - 1Å) | |
| Residues with bad bonds: | 0.00% | Goal: 0% | |
| Residues with bad angles: | 1.16% | Goal: <0.1% | |
^ MolProbity score is defined as the following: 0.42574*log(1+clashscore) + 0.32996*log(1+max(0,pctRotOut-1)) + 0.24979*log(1+max(0,100-pctRamaFavored-2)) + 0.5
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 35.97 | Outliers: 2 of 84 | Poor rotamers: 0 of 77 | Outliers: 0 of 79 | Outliers: 0 of 86 | Outliers: 1 of 86 | ||
| A 800 | ARG | 0 | 0.435Å NH2 with A 805 LEU CA | - | 72.5% (ttp85) chi angles: 183.3,174.5,61.7,84.6 | 0.006Å | - | - |
| A 801 | SER | 0 | - | Favored (54.55%) General case / -132.0,152.4 | 69.5% (m) chi angles: 297.8 | 0.023Å | - | - |
| A 802 | ARG | 0 | - | Allowed (0.09%) General case / 73.6,167.2 | 71.2% (mtm180) chi angles: 299.2,186.4,289.4,156.3 | 0.015Å | - | - |
| A 803 | GLY | 0 | - | Favored (52.55%) Glycine / 76.7,-160.7 | - | - | - | - |
| A 804 | SER | 0 | - | Favored (41.94%) General case / -101.2,137.0 | 75% (m) chi angles: 294.8 | 0.033Å | - | - |
| A 805 | LEU | 0 | 0.435Å CA with A 800 ARG NH2 | Favored (73.18%) General case / -66.2,-30.2 | 96.4% (mt) chi angles: 292.2,173.8 | 0.003Å | - | - |
| A 806 | VAL | 0 | - | Favored (69.3%) General case / -59.6,-29.7 | 8.1% (p) chi angles: 70.2 | 0.017Å | - | - |
| A 807 | LYS | 0 | - | Favored (7.08%) General case / -78.1,177.1 | 48.6% (mmtm) chi angles: 299.4,295.6,187.3,288.5 | 0.019Å | - | - |
| A 808 | GLN | 0 | 0.605Å CB with A 831 PHE O | Favored (12.45%) General case / -161.8,147.7 | 10.4% (pt20) chi angles: 62.3,182.3,266.6 | 0.019Å | - | - |
| A 809 | PHE | 0 | 0.681Å CE2 with A 862 SER O | OUTLIER (0%) General case / 142.1,133.2 | 87.3% (t80) chi angles: 181.7,78.9 | 0.083Å | - | - |
| A 810 | LEU | 0 | - | Favored (8.29%) General case / -167.4,151.7 | 55.2% (tp) chi angles: 180.1,66.2 | 0.012Å | - | - |
| A 811 | HIS | 0 | - | Favored (33.52%) General case / -116.5,150.7 | 84.4% (t60) chi angles: 182.5,74.7 | 0.019Å | - | - |
| A 812 | TYR | 0 | 0.547Å CE2 with A 829 LEU CD2 | Favored (49.59%) General case / -138.5,151.2 | 53.7% (p90) chi angles: 64.7,92.3 | 0.019Å | - | - |
| A 813 | ARG | 0 | - | Favored (28.51%) General case / -152.1,165.5 | 54.7% (ptt85) chi angles: 63.4,177.7,176.6,82.7 | 0.03Å | - | - |
| A 814 | VAL | 0 | - | Favored (27.73%) General case / -105.8,148.4 | 35.6% (m) chi angles: 297.9 | 0.056Å | - | - |
| A 815 | GLU | 0 | - | Favored (20.82%) Pre-proline / -133.6,132.3 | 36.7% (tt0) chi angles: 182.1,177.4,116.6 | 0.044Å | - | - |
| A 816 | PRO | 0 | - | Favored (47.12%) Proline / -75.1,149.9 | 76.6% (Cg_endo) chi angles: 29.7 | 0.038Å | - | - |
| A 817 | ARG | 0 | 1.468Å CG with A 857 TRP CD1 | Allowed (0.27%) General case / -124.2,-114.2 | 48.8% (mmm-85) chi angles: 298.2,300.8,302.4,265.4 | 0.062Å | - | - |
| A 818 | ASP | 0 | - | Favored (98.68%) General case / -61.7,-43.0 | 99% (m-20) chi angles: 288.3,165.5 | 0.018Å | - | - |
| A 819 | SER | 0 | - | Favored (26.92%) General case / -83.8,148.2 | 93.6% (p) chi angles: 66.1 | 0.023Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 35.97 | Outliers: 2 of 84 | Poor rotamers: 0 of 77 | Outliers: 0 of 79 | Outliers: 0 of 86 | Outliers: 1 of 86 | ||
| A 820 | ASN | 0 | - | Favored (3.29%) General case / -133.6,-1.4 | 56.9% (p30) chi angles: 63.5,11.4 | 0.051Å | - | - |
| A 821 | GLU | 0 | - | Favored (66.73%) General case / -68.4,-20.4 | 99.3% (mt-10) chi angles: 292.3,179.9,177.1 | 0.004Å | - | - |
| A 822 | PHE | 0 | - | Favored (20.34%) General case / -82.7,166.3 | 7.1% (p90) chi angles: 61.2,111.6 | 0.014Å | - | - |
| A 823 | TYR | 0 | - | Favored (38.65%) General case / -89.0,129.6 | 91.1% (m-85) chi angles: 292.1,86 | 0.031Å | - | - |
| A 824 | GLY | 0 | - | Favored (29.96%) Glycine / -65.5,129.0 | - | - | - | - |
| A 825 | ASN | 0 | 0.445Å ND2 with A 842 LEU CD2 | Favored (55.47%) General case / -127.4,142.2 | 78.8% (m-20) chi angles: 295.4,304.4 | 0.036Å | - | - |
| A 826 | THR | 0 | - | Favored (35.5%) General case / -146.4,158.6 | 15.1% (t) chi angles: 188.2 | 0.056Å | - | - |
| A 827 | GLY | 0 | - | Favored (38.53%) Glycine / 172.4,173.6 | - | - | - | - |
| A 828 | VAL | 0 | - | Favored (59.73%) General case / -114.8,133.9 | 87.3% (t) chi angles: 177.7 | 0.063Å | - | - |
| A 829 | LEU | 0 | 0.547Å CD2 with A 812 TYR CE2 | Favored (39.75%) General case / -105.1,139.7 | 88.1% (mt) chi angles: 300.7,176.4 | 0.047Å | - | - |
| A 830 | GLU | 0 | - | Favored (58.87%) General case / -118.5,123.0 | 96.2% (mt-10) chi angles: 295.3,179.8,1.4 | 0.025Å | - | - |
| A 831 | PHE | 0 | 0.605Å O with A 808 GLN CB | Favored (14.85%) General case / -97.5,100.8 | 97% (m-85) chi angles: 294.2,91.7 | 0.052Å | - | - |
| A 832 | LYS | 0 | - | Favored (57.58%) Pre-proline / -70.7,162.7 | 75.9% (mmtt) chi angles: 298.4,294.5,184.1,182.8 | 0.048Å | - | - |
| A 833 | PRO | 0 | - | Favored (22.6%) Proline / -49.7,128.7 | 88.3% (Cg_exo) chi angles: 331.4 | 0.023Å | - | - |
| A 834 | GLY | 0 | - | Favored (88.77%) Glycine / 85.6,0.9 | - | - | - | - |
| A 835 | GLU | 0 | - | Favored (40.15%) General case / -96.8,117.9 | 12.1% (tp10) chi angles: 181.9,67.6,72.1 | 0.011Å | - | - |
| A 836 | ARG | 0 | - | Favored (44.33%) General case / -78.2,-40.5 | 79.7% (ttt180) chi angles: 182.8,173.6,178.4,181.1 | 0.025Å | - | - |
| A 837 | GLU | 0 | - | Favored (38.57%) General case / -143.9,145.9 | 97.6% (mt-10) chi angles: 296.9,181.4,170.5 | 0.002Å | - | - |
| A 838 | ILE | 0 | - | Favored (52.35%) General case / -137.0,151.7 | 87.6% (mt) chi angles: 299.8,170.8 | 0.048Å | - | - |
| A 839 | VAL | 0 | - | Favored (40.88%) General case / -121.5,151.1 | 35.3% (m) chi angles: 298 | 0.033Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 35.97 | Outliers: 2 of 84 | Poor rotamers: 0 of 77 | Outliers: 0 of 79 | Outliers: 0 of 86 | Outliers: 1 of 86 | ||
| A 840 | ILE | 0 | - | Favored (48.66%) General case / -126.2,152.2 | 48.7% (pt) chi angles: 60.9,171.6 | 0.054Å | - | - |
| A 841 | THR | 0 | - | Favored (42.07%) General case / -122.8,153.0 | 80% (p) chi angles: 61.5 | 0.02Å | - | - |
| A 842 | LEU | 0 | 0.488Å CD1 with A 858 VAL CG2 | Favored (60.15%) General case / -127.1,136.5 | 92.2% (mt) chi angles: 297.9,172.9 | 0.022Å | - | - |
| A 843 | LEU | 0 | - | Favored (26.28%) General case / -85.5,147.4 | 92.1% (mt) chi angles: 299.4,176.3 | 0.006Å | - | - |
| A 844 | ALA | 0 | - | Favored (40.64%) General case / -117.6,146.1 | - | 0.035Å | - | - |
| A 845 | ARG | 0 | - | Favored (51.37%) General case / -107.1,136.2 | 44.6% (ttm180) chi angles: 179.8,176.2,290.9,169.2 | 0.018Å | - | - |
| A 846 | LEU | 0 | - | Favored (24.78%) General case / -82.2,157.9 | 95.3% (mt) chi angles: 298.1,175.7 | 0.014Å | - | - |
| A 847 | ASP | 0 | - | Allowed (0.21%) General case / -132.2,-116.2 | 38.7% (t0) chi angles: 196.4,179.5 | 0.014Å | - | - |
| A 848 | GLY | 0 | - | Allowed (1.07%) Glycine / 150.9,-12.9 | - | - | - | - |
| A 849 | ILE | 0 | - | Favored (55.78%) Pre-proline / -90.6,130.8 | 95.4% (mt) chi angles: 297.7,169.3 | 0.054Å | - | - |
| A 850 | PRO | 0 | 0.501Å O with A 851 GLU CG | Favored (32.73%) Proline / -71.5,137.3 | 53% (Cg_endo) chi angles: 25.3 | 0.018Å | - | - |
| A 851 | GLU | 0 | 0.501Å CG with A 850 PRO O | Favored (9.22%) General case / -159.8,177.7 | 78.6% (mm-40) chi angles: 295.5,290.1,159.2 | 0.027Å | - | - |
| A 852 | LEU | 0 | 0.679Å O with A 882 LYS NZ | Favored (32.96%) General case / -70.1,157.0 | 96.4% (mt) chi angles: 296.8,175 | 0.015Å | - | - |
| A 853 | ASP | 0 | - | Favored (50.92%) General case / -67.1,143.6 | 97.3% (m-20) chi angles: 289.4,167.4 | 0.035Å | - | - |
| A 854 | GLU | 0 | - | Favored (22.85%) General case / -129.6,167.6 | 48.1% (mt-10) chi angles: 297.3,180.9,95.9 | 0.012Å | - | - |
| A 855 | HIS | 0 | 0.729Å CE1 with A 817 ARG CB | Favored (32.56%) General case / -140.6,164.7 | 34.7% (p80) chi angles: 62.7,84.5 | 0.034Å | - | - |
| A 856 | TYR | 0 | - | Favored (7.46%) General case / -146.6,178.7 | 13.4% (p90) chi angles: 63.9,73.3 | 0.037Å | - | - |
| A 857 | TRP | 0 | 1.468Å CD1 with A 817 ARG CG | Favored (50.84%) General case / -128.2,154.3 | 81.5% (m95) chi angles: 297.2,83.6 | 0.005Å | - | - |
| A 858 | VAL | 0 | 0.488Å CG2 with A 842 LEU CD1 | Favored (62.03%) General case / -120.0,126.2 | 90.1% (t) chi angles: 177.9 | 0.073Å | - | - |
| A 859 | VAL | 0 | 0.496Å CG1 with A 875 ILE CG2 | Favored (40.44%) General case / -118.7,146.6 | 35.3% (m) chi angles: 298 | 0.037Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 35.97 | Outliers: 2 of 84 | Poor rotamers: 0 of 77 | Outliers: 0 of 79 | Outliers: 0 of 86 | Outliers: 1 of 86 | ||
| A 860 | LEU | 0 | - | Favored (33.36%) General case / -108.6,145.7 | 85.5% (mt) chi angles: 301.4,176.3 | 0.044Å | - | - |
| A 861 | SER | 0 | - | Favored (4.22%) General case / -165.6,-178.7 | 84.8% (p) chi angles: 68.3 | 0.015Å | - | - |
| A 862 | SER | 0 | 0.681Å O with A 809 PHE CE2 | Favored (12.97%) General case / 50.4,51.3 | 65.6% (m) chi angles: 298.5 | 0.006Å | - | - |
| A 863 | HIS | 0 | 0.931Å CE1 with A 868 SER OG | Favored (44.35%) General case / -76.8,133.7 | 61.7% (t-80) chi angles: 187.7,288.1 | 0.023Å | - | - |
| A 864 | GLY | 0 | 0.574Å N with A 809 PHE CD2 | Favored (12.17%) Glycine / -132.9,141.6 | - | - | - | - |
| A 865 | GLU | 0 | 0.618Å OE1 with A 868 SER CB | OUTLIER (0%) General case / -171.1,-129.2 | 66.5% (tt0) chi angles: 183,177.4,153.9 | 0.026Å | - | - |
| A 866 | ARG | 0 | 0.589Å N with A 865 GLU CG | Allowed (0.3%) General case / -111.2,-106.5 | 63.2% (ttp180) chi angles: 182.9,180.9,65.5,194.5 | 0.098Å | - | 2 OUTLIER(S) worst is C-N-CA: 5.074 &sigma |
| A 867 | GLU | 0 | - | Favored (25.31%) General case / -103.1,108.7 | 86.8% (tt0) chi angles: 182.2,179.2,171.5 | 0.024Å | - | - |
| A 868 | SER | 0 | 0.931Å OG with A 863 HIS CE1 | Favored (27.77%) General case / -151.6,149.0 | 88.6% (p) chi angles: 65.6 | 0.023Å | - | - |
| A 869 | LYS | 0 | - | Favored (5.29%) General case / -152.4,-176.5 | 64.1% (pttt) chi angles: 62.8,181.6,181.2,179.5 | 0.022Å | - | - |
| A 870 | LEU | 0 | - | Favored (45.74%) General case / -64.0,145.7 | 96.3% (mt) chi angles: 294.6,174.1 | 0.021Å | - | - |
| A 871 | GLY | 0 | - | Favored (34.79%) Glycine / -99.1,-163.5 | - | - | - | - |
| A 872 | SER | 0 | - | Favored (16.64%) General case / -59.2,-58.3 | 48% (t) chi angles: 179.4 | 0.009Å | - | - |
| A 873 | ALA | 0 | - | Favored (9.92%) General case / -105.0,98.1 | - | 0.04Å | - | - |
| A 874 | THR | 0 | - | Favored (70.83%) General case / -72.8,-38.7 | 98.8% (m) chi angles: 298.9 | 0.023Å | - | - |
| A 875 | ILE | 0 | 0.496Å CG2 with A 859 VAL CG1 | Favored (42.39%) General case / -125.9,157.7 | 50.3% (pt) chi angles: 62.3,171.7 | 0.041Å | - | - |
| A 876 | VAL | 0 | - | Favored (51.06%) General case / -127.9,151.0 | 35.6% (m) chi angles: 297.8 | 0.052Å | - | - |
| A 877 | ASN | 0 | 0.53Å ND2 with A 857 TRP CE2 | Favored (38.06%) General case / -102.3,139.4 | 24.7% (t-20) chi angles: 185.8,268.2 | 0.042Å | - | - |
| A 878 | ILE | 0 | - | Favored (62.4%) General case / -121.0,133.6 | 45.3% (mm) chi angles: 303.3,296.6 | 0.057Å | - | - |
| A 879 | THR | 0 | - | Favored (62.11%) General case / -111.3,129.6 | 98.3% (m) chi angles: 299 | 0.032Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 35.97 | Outliers: 2 of 84 | Poor rotamers: 0 of 77 | Outliers: 0 of 79 | Outliers: 0 of 86 | Outliers: 1 of 86 | ||
| A 880 | ILE | 0 | - | Favored (60.45%) General case / -107.5,127.6 | 91.8% (mt) chi angles: 298.6,169.9 | 0.06Å | - | - |
| A 881 | LEU | 0 | - | Favored (38.41%) General case / -95.9,137.4 | 90.2% (mt) chi angles: 300.3,176.7 | 0.04Å | - | - |
| A 882 | LYS | 0 | 0.679Å NZ with A 852 LEU O | Favored (45.1%) General case / -75.7,134.0 | 49.1% (mmtm) chi angles: 297.5,296.4,190,293.6 | 0.021Å | - | - |
| A 883 | ASN | 0 | - | Favored (65.73%) General case / -72.5,-45.1 | 98.9% (m-20) chi angles: 287.1,340.6 | 0.014Å | - | - |
| A 884 | ASP | 0 | 0.586Å OD1 with A 885 ASP N | Favored (9.23%) General case / -82.1,175.2 | 25.3% (t0) chi angles: 201,175.1 | 0.02Å | - | - |
| A 885 | ASP | 0 | 0.586Å N with A 884 ASP OD1 | - | 65.7% (t0) chi angles: 186.7,176.3 | 0.037Å | - | - |