Viewing Fibronectin-type-III-31-multi.table
| All-Atom Contacts |
Clashscore, all atoms: | 57.24 | 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 | 1.19% | Goal: <1% |
| Ramachandran outliers | 3.85% | Goal: <0.2% | |
| Ramachandran favored | 91.35% | Goal: >98% | |
| Cβ deviations >0.25Å | 0 | Goal: 0 | |
| MolProbity score^ | 2.80 | 1st percentile* (N=159, -0.24Å - 1Å) | |
| Residues with bad bonds: | 0.00% | Goal: 0% | |
| Residues with bad angles: | 1.89% | 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: 57.24 | Outliers: 4 of 104 | Poor rotamers: 1 of 84 | Outliers: 0 of 101 | Outliers: 0 of 106 | Outliers: 2 of 106 | ||
| A 4526 | ARG | 0 | - | - | 95.8% (mtm-85) chi angles: 288.8,192.4,296.9,272.1 | 0.008Å | - | - |
| A 4527 | THR | 0 | - | Favored (4.26%) General case / -149.4,-174.7 | 49.7% (p) chi angles: 65.9 | 0.048Å | - | - |
| A 4528 | SER | 0 | - | Favored (58.25%) Pre-proline / -78.8,162.8 | 89.7% (p) chi angles: 67.3 | 0.062Å | - | - |
| A 4529 | PRO | 0 | 0.478Å O with A 4615LEU CD2 | Favored (60.78%) Proline / -72.1,157.5 | 60.9% (Cg_endo) chi angles: 27.3 | 0.027Å | - | - |
| A 4530 | SER | 0 | - | Favored (22.23%) General case / -84.1,159.7 | 89.4% (p) chi angles: 67.3 | 0.048Å | - | - |
| A 4531 | ALA | 0 | 0.572Å CB with A 4615LEU CB | Favored (64.07%) Pre-proline / -82.2,158.4 | - | 0.025Å | - | - |
| A 4532 | PRO | 0 | 0.61Å CD with A 4616GLY N | Favored (26.95%) Proline / -71.5,168.8 | 36.5% (Cg_exo) chi angles: 340.8 | 0.021Å | - | - |
| A 4533 | SER | 0 | - | Favored (21.99%) General case / -80.8,165.6 | 85.5% (p) chi angles: 68.1 | 0.009Å | - | - |
| A 4534 | GLY | 0 | - | Favored (35.19%) Glycine / -71.9,144.6 | - | - | - | - |
| A 4535 | MET | 0 | - | Favored (12.06%) General case / -66.4,165.6 | 0.1% chi angles: 71.5,281.4,145.4 | 0.005Å | - | - |
| A 4536 | GLU | 0 | 0.558Å CB with A 4537PRO CD | Favored (41.99%) Pre-proline / -80.3,165.5 | 59% (mm-40) chi angles: 296.1,293.2,178 | 0.023Å | - | - |
| A 4537 | PRO | 0 | 0.558Å CD with A 4536GLU CB | OUTLIER (0.02%) Proline / -32.3,96.7 | 52.7% (Cg_exo) chi angles: 334.9 | 0.07Å | - | - |
| A 4538 | PRO | 0 | - | Favored (14.02%) Proline / -83.4,143.9 | 73.4% (Cg_endo) chi angles: 28.9 | 0.034Å | - | - |
| A 4539 | LYS | 0 | - | Favored (12.1%) General case / -146.7,126.5 | 88.8% (tttt) chi angles: 184.6,176.2,179.8,180.5 | 0.046Å | - | - |
| A 4540 | LEU | 0 | 0.729Å CB with A 4624PHE CE1 | Favored (60.82%) General case / -118.8,124.9 | 7.7% (mp) chi angles: 285.8,73.6 | 0.044Å | - | - |
| A 4541 | GLN | 0 | - | Favored (35.41%) General case / -144.6,160.0 | 76.3% (mm-40) chi angles: 298.6,288,332.5 | 0.041Å | - | - |
| A 4542 | ALA | 0 | 0.424Å CB with A 4547GLU O | Favored (62.61%) General case / -114.9,127.6 | - | 0.028Å | - | - |
| A 4543 | ARG | 0 | - | Favored (66.8%) General case / -74.3,-38.2 | 99.7% (mtt180) chi angles: 290.1,177.7,179.1,173.3 | 0.004Å | - | - |
| A 4544 | GLY | 0 | - | Favored (15.02%) Glycine / -123.3,-171.6 | - | - | - | - |
| A 4545 | PRO | 0 | - | Favored (85.83%) Proline / -59.9,-37.0 | 74.7% (Cg_exo) chi angles: 333 | 0.03Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 57.24 | Outliers: 4 of 104 | Poor rotamers: 1 of 84 | Outliers: 0 of 101 | Outliers: 0 of 106 | Outliers: 2 of 106 | ||
| A 4546 | GLN | 0 | 0.922Å NE2 with A 4601PRO CA | Favored (3.61%) General case / -136.3,96.5 | 22.6% (mp0) chi angles: 298,81.5,44.9 | 0.025Å | - | - |
| A 4547 | GLU | 0 | 0.794Å O with A 4548ILE CD | Favored (10.88%) General case / -168.8,165.2 | 78.7% (mm-40) chi angles: 295.6,290.1,159.1 | 0.017Å | - | - |
| A 4548 | ILE | 0 | 0.794Å CD with A 4547GLU O | Favored (2.87%) General case / -154.3,112.0 | - | 0.046Å | - | - |
| A 4549 | LEU | 0 | - | Favored (30.29%) General case / -97.2,112.8 | 6.5% (tt) chi angles: 191.9,165.9 | 0.035Å | - | - |
| A 4550 | VAL | 0 | 0.651Å CG2 with A 4540LEU CD2 | Favored (29.97%) General case / -104.3,111.4 | 77.7% (t) chi angles: 179.2 | 0.031Å | - | - |
| A 4551 | ASN | 0 | - | Favored (50.8%) General case / -110.5,117.8 | 63.7% (t-20) chi angles: 184.1,347.3 | 0.043Å | - | - |
| A 4552 | TRP | 0 | 0.51Å CZ2 with A 4590GLY O | Favored (9.56%) General case / -134.7,176.6 | 47.5% (p90) chi angles: 61.7,93.2 | 0.03Å | - | - |
| A 4553 | ASP | 0 | - | Favored (34.34%) Pre-proline / -140.5,162.7 | 47.1% (m-20) chi angles: 292.8,115.7 | 0.019Å | - | - |
| A 4554 | PRO | 0 | - | Favored (39.96%) Proline / -71.6,139.8 | 52.7% (Cg_endo) chi angles: 25.3 | 0.018Å | - | - |
| A 4555 | PRO | 0 | - | Favored (16.73%) Proline / -83.4,148.5 | 77.7% (Cg_endo) chi angles: 29.7 | 0.032Å | - | - |
| A 4556 | VAL | 0 | - | Favored (33.18%) General case / -80.5,-39.1 | 69.9% (t) chi angles: 173.4 | 0.02Å | - | - |
| A 4557 | ARG | 0 | - | Favored (64.41%) General case / -66.6,-15.5 | 99.8% (mtt180) chi angles: 290.7,178,179.4,174 | 0.004Å | - | - |
| A 4558 | THR | 0 | - | Favored (38.99%) General case / -63.2,147.6 | 14.2% (t) chi angles: 186.8 | 0.027Å | - | - |
| A 4559 | ASN | 0 | - | Favored (36.08%) General case / -101.1,115.3 | 83% (m-20) chi angles: 294.6,310.4 | 0.038Å | - | - |
| A 4560 | GLY | 0 | - | Favored (51.1%) Glycine / 86.0,176.7 | - | - | - | - |
| A 4561 | ASP | 0 | 1.129Å O with A 4613THR CG2 | Favored (6.37%) General case / -81.6,178.9 | 38.5% (p30) chi angles: 68.8,17.9 | 0.032Å | - | - |
| A 4562 | ILE | 0 | - | Favored (54.07%) General case / -118.1,120.3 | - | 0.059Å | - | - |
| A 4563 | ILE | 0 | - | Favored (94.92%) General case / -63.0,-45.2 | - | 0.039Å | - | - |
| A 4564 | ASN | 0 | - | Allowed (1.96%) General case / -157.6,-167.7 | 27.5% (p30) chi angles: 60.7,44.8 | 0.032Å | - | - |
| A 4565 | TYR | 0 | - | Favored (55.95%) General case / -130.7,138.4 | 97% (m-85) chi angles: 297.5,87.6 | 0.036Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 57.24 | Outliers: 4 of 104 | Poor rotamers: 1 of 84 | Outliers: 0 of 101 | Outliers: 0 of 106 | Outliers: 2 of 106 | ||
| A 4566 | THR | 0 | - | Favored (41.45%) General case / -117.9,145.7 | 79.2% (p) chi angles: 61.5 | 0.022Å | - | - |
| A 4567 | LEU | 0 | - | Favored (35.11%) General case / -116.6,149.1 | 84.2% (mt) chi angles: 300.6,174.7 | 0.005Å | - | - |
| A 4568 | PHE | 0 | - | Favored (35.39%) General case / -129.7,118.9 | 90.2% (m-85) chi angles: 298.8,86.5 | 0.046Å | - | - |
| A 4569 | ILE | 0 | - | Favored (60.88%) General case / -111.0,124.1 | - | 0.045Å | - | - |
| A 4570 | ARG | 0 | - | Favored (63.85%) General case / -119.8,129.8 | 59.5% (ttt85) chi angles: 183.5,180.1,175.5,90.9 | 0.022Å | - | - |
| A 4571 | GLU | 0 | - | Favored (39.81%) General case / -91.0,125.3 | 52.5% (mt-10) chi angles: 294.6,180.9,107 | 0.041Å | - | - |
| A 4572 | LEU | 0 | - | Favored (93.72%) General case / -62.4,-39.2 | 58.7% (tp) chi angles: 180.7,60.5 | 0.028Å | - | - |
| A 4573 | PHE | 0 | 0.784Å CB with A 4603HIS NE2 | Favored (63.86%) General case / -64.2,-52.8 | 93.2% (t80) chi angles: 177.6,79.2 | 0.003Å | - | - |
| A 4574 | GLU | 0 | - | Favored (66.81%) General case / -74.1,-33.8 | 79.1% (mm-40) chi angles: 291.9,297.3,131.3 | 0.009Å | - | - |
| A 4575 | ARG | 0 | - | Favored (12.2%) General case / 61.6,43.3 | 99.3% (mtt180) chi angles: 299,183.1,180.7,176.4 | 0.011Å | - | - |
| A 4576 | GLU | 0 | - | Favored (30.68%) General case / -109.5,148.4 | 98% (mt-10) chi angles: 295.8,181,167.3 | 0.034Å | - | - |
| A 4577 | THR | 0 | - | Favored (63.77%) General case / -119.3,130.4 | 96.4% (m) chi angles: 299.6 | 0.024Å | - | - |
| A 4578 | LYS | 0 | - | Favored (59.01%) General case / -112.5,134.2 | 99.6% (mttt) chi angles: 295.2,180.8,182.1,178.2 | 0.029Å | - | - |
| A 4579 | ILE | 0 | - | Favored (39.54%) General case / -91.4,133.7 | - | 0.044Å | - | - |
| A 4580 | ILE | 0 | - | Favored (56.57%) General case / -126.7,141.1 | - | 0.037Å | - | - |
| A 4581 | HIS | 0 | - | Favored (36.89%) General case / -116.0,115.3 | 95.2% (m-70) chi angles: 298.5,276.4 | 0.03Å | - | - |
| A 4582 | ILE | 0 | - | Favored (54.55%) General case / -122.2,140.7 | - | 0.025Å | - | - |
| A 4583 | ASN | 0 | - | Allowed (0.15%) General case / -138.9,-143.6 | 68.6% (m-80) chi angles: 289.5,286.1 | 0.057Å | - | - |
| A 4584 | THR | 0 | 0.406Å CG2 with A 4587ASN O | Favored (8.64%) General case / -110.2,170.3 | 14.8% (t) chi angles: 188.9 | 0.006Å | - | - |
| A 4585 | THR | 0 | - | OUTLIER (0.03%) General case / -81.6,-141.9 | 63.5% (p) chi angles: 62.9 | 0.041Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 57.24 | Outliers: 4 of 104 | Poor rotamers: 1 of 84 | Outliers: 0 of 101 | Outliers: 0 of 106 | Outliers: 2 of 106 | ||
| A 4586 | HIS | 0 | - | Favored (95.13%) General case / -60.5,-44.4 | 86.3% (t60) chi angles: 181.8,71.5 | 0.023Å | - | - |
| A 4587 | ASN | 0 | 0.406Å O with A 4584THR CG2 | Favored (5.67%) General case / -67.7,172.4 | 81.4% (m-20) chi angles: 291,311.7 | 0.033Å | - | - |
| A 4588 | SER | 0 | 0.892Å O with A 4589PHE CD1 | Favored (14.92%) General case / -108.0,103.1 | 41.9% (t) chi angles: 177.6 | 0.006Å | - | - |
| A 4589 | PHE | 0 | 0.892Å CD1 with A 4588SER O | OUTLIER (0.03%) General case / -169.3,-142.0 | 95.9% (m-85) chi angles: 293.9,88.2 | 0.04Å | - | - |
| A 4590 | GLY | 0 | 0.51Å O with A 4552TRP CZ2 | OUTLIER (0.05%) Glycine / 178.2,-15.9 | - | - | - | 1 OUTLIER(S) worst is N-CA-C: -4.108 &sigma |
| A 4591 | MET | 0 | - | Favored (72.56%) General case / -71.7,-34.9 | 26.8% (ptm) chi angles: 70.8,185.2,295.3 | 0.032Å | - | - |
| A 4592 | GLN | 0 | - | Favored (2.85%) General case / -58.8,113.5 | 47.3% (tt0) chi angles: 184.4,176.7,311.9 | 0.079Å | - | - |
| A 4593 | SER | 0 | - | Allowed (0.7%) General case / -52.0,163.5 | 86.8% (p) chi angles: 67.7 | 0.004Å | - | - |
| A 4594 | TYR | 0 | - | Favored (63.29%) General case / -116.8,129.7 | 90.4% (t80) chi angles: 179.3,76 | 0.048Å | - | - |
| A 4595 | ILE | 0 | - | Favored (55.72%) General case / -101.0,128.3 | - | 0.045Å | - | - |
| A 4596 | VAL | 0 | 0.492Å O with A 4547GLU OE1 | Favored (20.83%) General case / -90.3,150.0 | 96.8% (t) chi angles: 176.1 | 0.049Å | - | - |
| A 4597 | ASN | 0 | - | Favored (2.75%) General case / -136.2,-173.3 | 56.4% (p30) chi angles: 63,16.8 | 0.033Å | - | - |
| A 4598 | GLN | 0 | - | Favored (13.39%) General case / 62.8,38.5 | 65.8% (mt-30) chi angles: 298.4,182.4,68.7 | 0.005Å | - | - |
| A 4599 | LEU | 0 | 0.575Å O with A 4546GLN CG | Favored (5.87%) General case / -101.9,175.2 | 87% (mt) chi angles: 300.9,176.2 | 0.023Å | - | - |
| A 4600 | LYS | 0 | 0.798Å CB with A 4605TYR OH | Favored (75.07%) Pre-proline / -81.2,147.3 | 99.3% (mttt) chi angles: 293.6,181.5,180.3,179.2 | 0.025Å | - | - |
| A 4601 | PRO | 0 | 0.922Å CA with A 4546GLN NE2 | Favored (8%) Proline / -46.5,-55.1 | 81.2% (Cg_exo) chi angles: 330.7 | 0.025Å | - | - |
| A 4602 | PHE | 0 | 0.421Å CZ with A 4625ILE CG2 | Favored (22.66%) General case / -135.2,119.0 | 21.7% (t80) chi angles: 182.5,104.1 | 0.044Å | - | - |
| A 4603 | HIS | 0 | 0.784Å NE2 with A 4573PHE CB | Favored (3.94%) General case / -167.0,140.3 | 55.5% (t-80) chi angles: 188.8,267.3 | 0.027Å | - | - |
| A 4604 | ARG | 0 | - | Favored (8.48%) General case / -73.1,111.1 | 99.7% (mtt180) chi angles: 293.4,179.7,183,180.6 | 0.021Å | - | - |
| A 4605 | TYR | 0 | 1.205Å CD1 with A 4626GLN NE2 | Favored (51.11%) General case / -110.6,138.3 | 95.5% (m-85) chi angles: 292.9,87.9 | 0.014Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 57.24 | Outliers: 4 of 104 | Poor rotamers: 1 of 84 | Outliers: 0 of 101 | Outliers: 0 of 106 | Outliers: 2 of 106 | ||
| A 4606 | GLU | 0 | - | Favored (62.79%) General case / -118.4,131.9 | 96.2% (mt-10) chi angles: 295.7,180,1 | 0.024Å | - | - |
| A 4607 | ILE | 0 | - | Favored (48.32%) General case / -126.8,154.9 | - | 0.043Å | - | - |
| A 4608 | ARG | 0 | - | Favored (57.94%) General case / -127.4,139.4 | 44.8% (ttm180) chi angles: 179.4,175.3,291.8,174.5 | 0.022Å | - | - |
| A 4609 | ILE | 0 | 0.599Å CD with A 4550VAL CG1 | Favored (52.91%) General case / -126.5,144.7 | - | 0.047Å | - | - |
| A 4610 | GLN | 0 | - | Favored (26.17%) General case / -154.8,167.2 | 18.8% (pt20) chi angles: 63.1,183.2,58 | 0.022Å | - | - |
| A 4611 | ALA | 0 | 0.406Å O with A 4616GLY CA | Favored (60.77%) General case / -110.1,131.4 | - | 0.045Å | - | - |
| A 4612 | CYS | 0 | - | Favored (40.18%) General case / -130.4,121.2 | 51.2% (t) chi angles: 181.8 | 0.023Å | - | - |
| A 4613 | THR | 0 | 1.129Å CG2 with A 4561ASP O | Allowed (0.14%) General case / -102.5,-122.5 | 71.8% (p) chi angles: 59.8 | 0.127Å | - | 1 OUTLIER(S) worst is N-CA-C: -5.43 &sigma |
| A 4614 | THR | 0 | - | Favored (2.17%) General case / -64.9,-62.9 | 98.7% (m) chi angles: 298.4 | 0.019Å | - | - |
| A 4615 | LEU | 0 | 0.572Å CB with A 4531ALA CB | Allowed (0.38%) General case / -79.7,-75.8 | 9.8% (mp) chi angles: 270.8,56.5 | 0.085Å | - | - |
| A 4616 | GLY | 0 | 0.61Å N with A 4532PRO CD | Favored (9.71%) Glycine / 88.8,141.7 | - | - | - | - |
| A 4617 | CYS | 0 | - | Favored (57.57%) General case / -119.5,122.2 | 51.9% (t) chi angles: 181.6 | 0.014Å | - | - |
| A 4618 | ALA | 0 | - | Favored (30.76%) General case / -79.6,149.2 | - | 0.021Å | - | - |
| A 4619 | SER | 0 | - | Favored (8.05%) General case / -90.2,173.9 | 85.6% (p) chi angles: 68.1 | 0.019Å | - | - |
| A 4620 | SER | 0 | - | Favored (35.08%) General case / -70.0,155.7 | 85.8% (p) chi angles: 68 | 0.034Å | - | - |
| A 4621 | ASP | 0 | - | Favored (50.07%) General case / -59.7,134.0 | 95.3% (m-20) chi angles: 289.5,168.5 | 0.036Å | - | - |
| A 4622 | TRP | 0 | 0.537Å CB with A 4624PHE CE1 | Favored (40.77%) General case / -100.7,117.4 | 93% (m95) chi angles: 292.3,89 | 0.056Å | - | - |
| A 4623 | THR | 0 | - | Favored (38.49%) General case / -98.8,116.7 | 99.3% (m) chi angles: 298.7 | 0.034Å | - | - |
| A 4624 | PHE | 0 | 0.729Å CE1 with A 4540LEU CB | Favored (32.23%) General case / -128.6,117.4 | 80.4% (m-85) chi angles: 298.8,107.8 | 0.029Å | - | - |
| A 4625 | ILE | 0 | 0.421Å CG2 with A 4602PHE CZ | Favored (30.81%) General case / -80.9,122.2 | - | 0.065Å | - | - |
| Bond angles. | ||||||||
| Avg: 0.00 | Clashscore: 57.24 | Outliers: 4 of 104 | Poor rotamers: 1 of 84 | Outliers: 0 of 101 | Outliers: 0 of 106 | Outliers: 2 of 106 | ||
| A 4626 | GLN | 0 | 1.205Å NE2 with A 4605TYR CD1 | Favored (43.93%) General case / -68.6,150.3 | 16.7% (mp0) chi angles: 290.8,84,324.4 | 0.034Å | - | - |
| A 4627 | THR | 0 | - | Favored (89.85%) Pre-proline / -75.2,150.7 | 81.5% (p) chi angles: 61 | 0.016Å | - | - |
| A 4628 | PRO | 0 | - | Favored (8.41%) Proline / -90.2,149.1 | 87.5% (Cg_endo) chi angles: 31.2 | 0.052Å | - | - |
| A 4629 | GLU | 0 | - | Favored (18.46%) General case / -98.0,103.7 | 86.8% (tt0) chi angles: 182.7,179.3,171.6 | 0.037Å | - | - |
| A 4630 | ILE | 0 | - | Favored (57.69%) General case / -126.2,139.8 | - | 0.046Å | - | - |
| A 4631 | ALA | 0 | - | - | - | 0.049Å | - | - |