Viewing Calx-beta-13-multi.table
| All-Atom Contacts |
Clashscore, all atoms: | 40.82 | 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 | 1.75% | Goal: <1% |
| Ramachandran outliers | 3.03% | Goal: <0.2% | |
| Ramachandran favored | 93.94% | Goal: >98% | |
| Cβ deviations >0.25Å | 0 | Goal: 0 | |
| MolProbity score^ | 2.68 | 1st percentile* (N=159, -0.24Å - 1Å) | |
| Residues with bad bonds: | 0.00% | Goal: 0% | |
| Residues with bad angles: | 0.00% | 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: 97.56 | Clashscore: 40.82 | Outliers: 2 of 66 | Poor rotamers: 1 of 57 | Outliers: 0 of 63 | Outliers: 0 of 68 | Outliers: 0 of 68 | ||
| A1907 | SER | 25.42 | - | - | 99.9% (p) chi angles: 64.5 | 0.048Å | - | - |
| A1908 | ASP | 47.51 | - | Favored (24.78%) Pre-proline / -108.2,141.5 | 97.6% (m-20) chi angles: 290.5,163.8 | 0.142Å | - | - |
| A1909 | PRO | 107.31 | - | Favored (28.79%) Proline / -63.7,164.4 | 94% (Cg_endo) chi angles: 30.8 | 0.109Å | - | - |
| A1910 | ASP | 90.54 | - | Allowed (1.74%) General case / 58.9,63.3 | 62.7% (m-20) chi angles: 298.1,172.2 | 0.103Å | - | - |
| A1911 | GLY | 217.11 | - | Allowed (0.32%) Glycine / 142.3,-60.6 | - | - | - | - |
| A1912 | ASP | 103.35 | 0.451Å C with A1913 LEU CD1 | Favored (31.67%) General case / -76.9,-45.9 | 5.9% (m-20) chi angles: 289.5,26.2 | 0.071Å | - | - |
| A1913 | LEU | 154.08 | 0.555Å CD2 with A1947 PHE CE1 | Favored (11.28%) General case / -153.1,176.1 | 5% (mp) chi angles: 299.1,78.2 | 0.096Å | - | - |
| A1914 | ALA | 54.49 | - | Favored (24.5%) General case / -96.6,146.6 | - | 0.101Å | - | - |
| A1915 | PHE | 148.96 | - | Favored (66.33%) General case / -56.5,-52.9 | 65.9% (t80) chi angles: 169.5,79.4 | 0.054Å | - | - |
| A1916 | THR | 144.96 | - | OUTLIER (0.02%) General case / 63.1,125.6 | 89.9% (m) chi angles: 302.2 | 0.072Å | - | - |
| A1917 | SER | 55.23 | - | Favored (32.33%) General case / -154.1,161.3 | 96.3% (p) chi angles: 63.8 | 0.121Å | - | - |
| A1918 | GLY | 26.46 | - | Favored (47.2%) Glycine / 173.4,-174.0 | - | - | - | - |
| A1919 | ASN | 81.4 | - | Favored (63.33%) General case / -123.8,131.2 | 0.5% chi angles: 190.9,112.2 | 0.086Å | - | - |
| A1920 | ILE | 139.23 | - | Favored (54.42%) General case / -119.3,139.6 | 8.4% (tp) chi angles: 183.1,66.6 | 0.115Å | - | - |
| A1921 | THR | 108.96 | - | Favored (63.07%) General case / -121.1,127.5 | 82.4% (p) chi angles: 60.7 | 0.086Å | - | - |
| A1922 | PHE | 61.94 | - | Favored (36.96%) General case / -105.0,114.3 | 95.8% (m-85) chi angles: 294.2,87.5 | 0.159Å | - | - |
| A1923 | GLU | 86.3 | 0.403Å O with A1926 GLN CB | Favored (23.49%) General case / -75.6,164.7 | 44.1% (tt0) chi angles: 186.5,169.9,139.4 | 0.08Å | - | - |
| A1924 | ILE | 111.98 | - | Favored (32.75%) General case / -54.1,134.2 | 21% (tt) chi angles: 188.4,168.7 | 0.079Å | - | - |
| A1925 | GLY | 26.66 | - | Favored (87.63%) Glycine / 82.3,9.3 | - | - | - | - |
| A1926 | GLN | 129.23 | 0.403Å CB with A1923 GLU O | Favored (10.95%) General case / -98.6,97.2 | 5.2% (tp60) chi angles: 189.3,96.8,337.4 | 0.126Å | - | - |
| Bond angles. | ||||||||
| Avg: 97.56 | Clashscore: 40.82 | Outliers: 2 of 66 | Poor rotamers: 1 of 57 | Outliers: 0 of 63 | Outliers: 0 of 68 | Outliers: 0 of 68 | ||
| A1927 | THR | 120.81 | - | Favored (39.42%) General case / -79.7,-35.3 | 14% (t) chi angles: 186.7 | 0.056Å | - | - |
| A1928 | SER | 86.45 | - | Favored (59.09%) General case / -123.9,137.8 | 47.3% (t) chi angles: 180.1 | 0.099Å | - | - |
| A1929 | ALA | 39.69 | - | Favored (46.4%) General case / -139.5,148.9 | - | 0.125Å | - | - |
| A1930 | ASN | 35.45 | - | Favored (58.94%) General case / -111.1,134.0 | 71.7% (m-80) chi angles: 290.2,298.8 | 0.095Å | - | - |
| A1931 | ILE | 123.36 | - | Favored (53.16%) General case / -129.9,142.9 | 76.4% (mt) chi angles: 302.1,170.4 | 0.08Å | - | - |
| A1932 | THR | 105.33 | - | Favored (36.59%) General case / -118.6,150.0 | 15.2% (t) chi angles: 187.9 | 0.081Å | - | - |
| A1933 | VAL | 120.82 | - | Favored (54.77%) General case / -122.2,140.5 | 16.8% (m) chi angles: 291 | 0.143Å | - | - |
| A1934 | GLU | 89.96 | - | Favored (47.33%) General case / -72.8,135.0 | 5.6% (mm-40) chi angles: 302.1,280.7,61.1 | 0.187Å | - | - |
| A1935 | ILE | 64.34 | 0.551Å CG1 with A1913 LEU CD2 | Favored (62.98%) General case / -124.4,133.0 | 95% (mt) chi angles: 297,168 | 0.051Å | - | - |
| A1936 | LEU | 72.04 | - | Favored (51.85%) Pre-proline / -95.0,128.8 | 87.1% (mt) chi angles: 297.4,181 | 0.103Å | - | - |
| A1937 | PRO | 85.06 | - | Favored (40.98%) Proline / -77.3,156.0 | 10.6% (Cg_endo) chi angles: 13.6 | 0.141Å | - | - |
| A1938 | ASP | 156.72 | - | Favored (33.93%) General case / -147.0,146.1 | 9.9% (t70) chi angles: 190.2,119.4 | 0.113Å | - | - |
| A1939 | GLU | 117.53 | - | Favored (59.28%) General case / -74.0,-45.0 | 28.5% (tt0) chi angles: 178.5,190.9,97.7 | 0.108Å | - | - |
| A1940 | ASP | 65.26 | - | Favored (67.58%) Pre-proline / -83.3,148.4 | 29.4% (m-20) chi angles: 295.1,6.3 | 0.092Å | - | - |
| A1941 | PRO | 151.99 | - | Favored (31.93%) Proline / -76.8,145.1 | 50.2% (Cg_exo) chi angles: 335.4 | 0.084Å | - | - |
| A1942 | GLU | 111.83 | - | Favored (3.54%) General case / -172.9,176.2 | 15.3% (pt-20) chi angles: 56.1,185.8,145.7 | 0.098Å | - | - |
| A1943 | LEU | 88.94 | - | Favored (31.61%) General case / -68.2,156.7 | 79.9% (mt) chi angles: 293.4,180.1 | 0.108Å | - | - |
| A1944 | ASP | 32.2 | - | Favored (36.49%) General case / -72.0,154.7 | 89% (m-20) chi angles: 294.6,159.9 | 0.086Å | - | - |
| A1945 | LYS | 46.8 | - | Favored (38.51%) General case / -139.9,162.4 | 90% (mttt) chi angles: 294.3,164.4,179.8,179.3 | 0.082Å | - | - |
| A1946 | ALA | 41.8 | - | Favored (38.76%) General case / -140.4,161.7 | - | 0.09Å | - | - |
| Bond angles. | ||||||||
| Avg: 97.56 | Clashscore: 40.82 | Outliers: 2 of 66 | Poor rotamers: 1 of 57 | Outliers: 0 of 63 | Outliers: 0 of 68 | Outliers: 0 of 68 | ||
| A1947 | PHE | 139.2 | 0.555Å CE1 with A1913 LEU CD2 | Favored (6.72%) General case / -139.9,179.5 | 43.3% (p90) chi angles: 66.8,97 | 0.073Å | - | - |
| A1948 | SER | 52.47 | - | Favored (44.98%) General case / -125.1,154.9 | 95.7% (p) chi angles: 63.7 | 0.085Å | - | - |
| A1949 | VAL | 48.02 | 0.417Å CG1 with A1950 SER N | Favored (42.43%) General case / -123.3,153.7 | 86.1% (t) chi angles: 178.9 | 0.116Å | - | - |
| A1950 | SER | 79.12 | 0.417Å N with A1949 VAL CG1 | Favored (32.21%) General case / -130.6,164.2 | 47.4% (t) chi angles: 180.1 | 0.112Å | - | - |
| A1951 | VAL | 68.54 | 0.555Å CG2 with A1963 ILE CG2 | Favored (37.95%) General case / -121.1,154.1 | 74% (t) chi angles: 172.1 | 0.051Å | - | - |
| A1952 | LEU | 115.51 | 0.471Å CG with A1953 SER N | Favored (4.36%) General case / -113.7,178.7 | 27.2% (tp) chi angles: 188.6,69.4 | 0.087Å | - | - |
| A1953 | SER | 117.94 | 0.471Å N with A1952 LEU CG | Favored (4.9%) General case / -115.4,177.6 | 43.5% (t) chi angles: 181 | 0.064Å | - | - |
| A1954 | VAL | 220.74 | 0.525Å CG2 with A1956 SER CB | Favored (82.25%) General case / -66.5,-45.7 | 92.8% (t) chi angles: 176.9 | 0.069Å | - | - |
| A1955 | SER | 258.84 | 0.476Å CA with A1954 VAL N | Favored (48.31%) General case / -70.4,141.3 | 47.3% (t) chi angles: 180.1 | 0.086Å | - | - |
| A1956 | SER | 129.63 | 0.525Å CB with A1954 VAL CG2 | OUTLIER (0%) General case / -179.0,-105.6 | 54.6% (m) chi angles: 290.1 | 0.141Å | - | - |
| A1957 | GLY | 47.04 | - | Favored (43.45%) Glycine / -66.3,160.4 | - | - | - | - |
| A1958 | SER | 101.33 | - | Favored (28.7%) General case / -127.7,164.2 | 70.6% (m) chi angles: 297.4 | 0.074Å | - | - |
| A1959 | LEU | 73.74 | 0.554Å CD1 with A1951 VAL CB | Favored (13.35%) General case / -90.2,167.4 | 85.2% (mt) chi angles: 300.6,179.9 | 0.134Å | - | - |
| A1960 | GLY | 33.03 | 0.44Å C with A1963 ILE CD1 | Favored (32.68%) Glycine / -96.5,-155.7 | - | - | - | - |
| A1961 | ALA | 114.17 | - | Favored (62.22%) General case / -125.8,131.5 | - | 0.105Å | - | - |
| A1962 | HIS | 219.38 | - | Favored (62.09%) General case / -115.4,131.6 | 10.3% (p80) chi angles: 50.5,97.9 | 0.07Å | - | - |
| A1963 | ILE | 216.98 | 0.555Å CG2 with A1951 VAL CG2 | Favored (2.64%) General case / -95.9,65.1 | 1.6% (mp) chi angles: 290.9,61.5 | 0.075Å | - | - |
| A1964 | ASN | 112.24 | - | Favored (54.7%) General case / -131.6,132.6 | 24.9% (t-20) chi angles: 180.5,302.8 | 0.133Å | - | - |
| A1965 | ALA | 35.36 | - | Favored (45.1%) General case / -111.2,141.3 | - | 0.11Å | - | - |
| A1966 | THR | 111.77 | - | Favored (57.77%) General case / -108.0,133.4 | 68.1% (p) chi angles: 64.5 | 0.098Å | - | - |
| Bond angles. | ||||||||
| Avg: 97.56 | Clashscore: 40.82 | Outliers: 2 of 66 | Poor rotamers: 1 of 57 | Outliers: 0 of 63 | Outliers: 0 of 68 | Outliers: 0 of 68 | ||
| A1967 | LEU | 149.01 | - | Favored (62.9%) General case / -118.1,131.7 | 75.9% (mt) chi angles: 299,183.2 | 0.076Å | - | - |
| A1968 | THR | 123.53 | - | Favored (61.46%) General case / -109.8,126.0 | 46.2% (p) chi angles: 55.2 | 0.101Å | - | - |
| A1969 | VAL | 102.06 | - | Favored (37.12%) General case / -86.2,135.6 | 14.1% (p) chi angles: 63.1 | 0.067Å | - | - |
| A1970 | LEU | 47.4 | - | Favored (35.98%) General case / -101.8,140.5 | 72.8% (mt) chi angles: 297,183.6 | 0.098Å | - | - |
| A1971 | ALA | 43.31 | - | Favored (32.59%) General case / -67.1,127.9 | - | 0.103Å | - | - |
| A1972 | SER | 88.25 | - | Favored (41.13%) General case / -80.9,-22.7 | 47.2% (t) chi angles: 180.2 | 0.102Å | - | - |
| A1973 | ASP | 67.8 | 0.41Å O with A1974 ASP CB | Favored (22.76%) General case / -69.9,162.5 | 56.6% (m-20) chi angles: 291.1,123.4 | 0.068Å | - | - |
| A1974 | ASP | 39.84 | 0.41Å CB with A1973 ASP O | - | 18.3% (m-20) chi angles: 289.5,14.9 | 0.138Å | - | - |