DisVis Report

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Download: accessible_complexes.out violations.out z-score.out accessible_interaction_space.mrc O14250.pdb Q9UT97.pdb restraints.dat selection.res receptor_interactions.txt ligand_interactions.txt

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Accessible complexes

Consistent restraints (N)Complexes with at least NFraction
7482830.0387 %
61288800.103 %
52212020.177 %
416438671.32 %
31324574610.6 %
21740592913.9 %
12777185322.2 %
0124915633100 %

Fraction of complexes violating each restraint

NA27(CA)-A18(CA)A122(CA)-A125(CA)A122(CA)-A128(CA)A122(CA)-A127(CA)A55(CA)-A169(CA)A55(CA)-A179(CA)A54(CA)-A179(CA)
10.71520.73870.72790.72980.61290.64530.6529
20.85890.64190.59950.58010.49980.46160.4798
30.85110.58890.57230.57520.42710.41700.4143
40.07930.47180.43390.44710.45640.44490.4243
50.32980.33660.05790.13430.20780.10940.0232
60.24130.22470.00410.00460.11960.03080.0001
70.00000.00000.00000.00000.00000.00000.0000

Z-scores (all restraints are consistent)

#RestraintAverage violated fractionStandard deviationZ-score
1A27(CA)-A18(CA)0.4390.3371.546
2A122(CA)-A125(CA)0.4290.2401.356
3A122(CA)-A128(CA)0.3420.290-0.224
4A122(CA)-A127(CA)0.3530.279-0.028
5A55(CA)-A169(CA)0.3320.208-0.412
6A55(CA)-A179(CA)0.3010.233-0.970
7A54(CA)-A179(CA)0.2850.251-1.268

Most contacted receptor residues (top 10, most first)

N ≥Residues
4124, 54, 53, 56, 8, 125, 55, 123, 9, 5
579, 53, 54, 125, 124, 77, 8, 56, 31, 55
679, 125, 124, 53, 77, 8, 54, 56, 31, 9
7125, 124, 79, 77, 8, 31, 9, 24, 53, 123

Average interactions per complex, receptor residues

ResidueN ≥ 4N ≥ 5N ≥ 6N ≥ 7
10.5720.4030.2930.228
20.6930.5580.4370.375
30.8470.8680.7560.713
40.8040.8100.7490.744
50.8600.7640.7280.767
81.1041.5721.7292.120
90.9031.1031.2501.674
130.7180.1040.1020.128
150.6630.0520.0370.030
160.6570.0280.0150.006
170.7330.0210.0140.010
180.5650.0500.0430.035
240.5321.0791.1971.517
270.4850.8890.9741.250
300.3590.5890.6450.822
310.6611.2931.4371.727
410.0010.0000.0000.000
510.4370.6820.7130.634
531.2301.9371.9131.444
541.2871.7501.6781.180
551.0641.2091.1340.748
561.1331.5471.4971.289
580.6841.0861.0360.933
600.4890.8630.8560.745
610.2510.4110.4000.324
650.0650.1250.1160.102
680.0280.0650.0550.042
770.6641.7041.9032.163
790.8552.0692.2682.387
820.4280.9511.0271.091
830.4630.9881.0951.299
860.2400.5320.5770.691
900.1440.3070.3260.384
930.0720.1590.1610.158
940.0810.1210.1230.128
960.0330.0540.0530.048
970.0680.1050.1120.115
980.0650.0570.0600.058
990.0340.0160.0160.015
1000.0230.0250.0240.026
1010.0080.0050.0040.004
1060.0360.0000.0000.000
1070.0470.0010.0010.001
1100.1550.0020.0020.003
1140.3180.0290.0280.047
1170.3910.0530.0520.081
1180.5230.1720.1820.282
1210.6900.1390.1400.216
1220.8290.3880.4130.630
1231.0500.8330.9191.347
1241.2991.7081.9422.661
1251.0981.7231.9952.744
1390.0030.0000.0000.000
1400.0050.0000.0000.000
1520.2540.0020.0010.000
1540.1380.0020.0000.000
1570.0140.0000.0000.000
1630.3670.4490.4770.509
1640.3430.2460.2340.181
1660.2160.0900.0680.040
1670.2000.0570.0400.016
1690.0790.0180.0100.004
1700.1140.0180.0100.002
1730.0490.0030.0010.000
1740.0370.0010.0000.000
1760.0110.0000.0000.000
1770.0080.0000.0000.000
1780.0040.0000.0000.000
1790.0010.0000.0000.000
1810.0010.0000.0000.000
1830.0010.0000.0000.000
1840.0020.0000.0000.000
1850.0080.0000.0000.000
1890.0140.0000.0000.000
1930.0420.0000.0000.000
2000.4890.1490.1270.031
2010.7500.3520.3150.103
2020.7760.4680.4380.190
2030.5380.2330.2140.065
2040.2870.0650.0580.013
2060.1780.0320.0270.004
2070.1520.0480.0340.016
2080.1980.1330.1060.067
2170.0010.0010.0000.000
2180.0050.0090.0030.002
2200.0170.0320.0220.014
2240.0660.0730.0510.037
2250.1160.1380.1090.093

Most contacted ligand residues (top 10, most first)

N ≥Residues
418, 17, 19, 15, 20, 6, 7, 14, 8, 128
518, 19, 17, 128, 129, 15, 20, 127, 7, 130
618, 19, 17, 128, 129, 15, 20, 127, 130, 14
719, 18, 17, 128, 129, 15, 20, 130, 127, 14

Average interactions per complex, ligand residues

ResidueN ≥ 4N ≥ 5N ≥ 6N ≥ 7
61.4261.1100.9060.549
71.3881.1761.0360.817
81.3101.0170.9450.875
100.7250.7800.6530.273
110.6870.6320.5760.430
130.9640.7130.8221.158
141.3651.0461.1791.578
151.9011.5041.6772.205
172.5912.1162.2652.779
182.6332.2572.4372.922
192.4282.1512.3782.994
201.7791.3861.4921.752
260.5060.3870.3400.073
290.4910.3340.3230.069
320.3190.2040.2070.026
330.2990.3560.3800.011
430.0270.0700.0550.049
440.0080.0240.0160.013
530.0610.1350.1290.000
550.0990.2800.2480.001
570.0200.0620.0450.000
580.0240.0870.0700.000
600.0160.0590.0480.000
610.0130.0470.0380.000
620.0150.0500.0370.000
630.0340.1240.1080.000
690.0080.0160.0090.000
720.0030.0040.0020.000
810.1160.3040.3080.003
820.0840.2660.2630.002
830.1090.3460.3100.003
870.0420.1260.0900.001
900.0270.0770.0500.000
940.0170.0420.0240.000
970.0080.0190.0110.000
980.0190.0460.0330.014
1010.0140.0480.0380.014
1020.0410.1450.1260.097
1030.0440.1630.1380.115
1040.0170.0650.0510.031
1050.0200.0690.0520.039
1080.0810.2490.2150.194
1100.1540.4210.4190.456
1140.1940.4470.4540.517
1180.2190.3690.3920.496
1210.2920.3210.3630.514
1220.1740.1840.1990.295
1250.5150.6130.6120.520
1260.8461.0461.1301.265
1270.8671.2131.3551.667
1281.2341.6251.9062.660
1290.9931.5531.7932.417
1300.6371.1351.2761.687
1310.3800.7020.7490.875
1330.1720.3570.3110.097
1350.2420.3940.3240.061
1360.1630.2320.1690.022
1490.0260.0790.0570.038
1500.0700.2130.1790.143
1620.5740.7940.9011.137
1640.4580.7290.8281.094
1650.2980.5260.5850.764
1670.1650.2070.2150.292
1760.5850.2070.1890.198
1800.5280.1910.1760.274
1830.4230.2210.2190.349
1840.3200.1370.1280.212
1870.1240.1210.1200.170
1880.1010.1460.1410.176
1890.0380.0620.0550.060
1910.0040.0100.0070.005
1930.0000.0010.0000.000
1940.0020.0020.0020.001
2010.0170.0020.0010.000
2050.0940.0290.0200.001
2080.1190.1050.0800.001
2090.0590.0740.0520.000
2100.0230.0270.0150.000
2120.0040.0040.0020.000
2140.0030.0070.0040.000
2230.0040.0110.0050.003
2240.0010.0030.0010.000
2250.0010.0010.0000.000
2280.0020.0040.0010.000
2310.0010.0030.0010.000
2320.0010.0020.0000.000
2330.0000.0000.0000.000
2340.0000.0000.0000.000
2370.0000.0000.0000.000
2400.0000.0000.0000.000
2410.0000.0000.0000.000
2430.0040.0010.0000.000
2440.0010.0000.0000.000
2450.0020.0000.0000.000