Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N MET 100.A O no hydrogen 3.458 N/A PHE 4.A N CYS 98.A O no hydrogen 2.808 N/A ARG 5.A N TRP 25.A O no hydrogen 2.687 N/A CYS 6.A N ALA 96.A O no hydrogen 2.584 N/A LEU 7.A N VAL 23.A O no hydrogen 2.925 N/A GLN 8.A N LEU 94.A O no hydrogen 2.802 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 2.742 N/A MET 9.A N ASP 21.A O no hydrogen 2.912 N/A SER 10.A N ILE 92.A O no hydrogen 2.804 N/A SER 10.A OG THR 20.A OG1 no hydrogen 3.029 N/A SER 11.A N ARG 19.A O no hydrogen 2.950 N/A SER 11.A OG GLU 91.A OE2 no hydrogen 2.484 N/A PHE 12.A N ILE 90.A O no hydrogen 2.836 N/A ALA 13.A N TRP 17.A O no hydrogen 3.088 N/A SER 16.A OG ASN 14.A OD1 no hydrogen 3.347 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 2.940 N/A ARG 19.A N SER 11.A O no hydrogen 3.083 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.908 N/A ARG 19.A NH2 ASP 37.A OD1 no hydrogen 3.482 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.965 N/A THR 20.A OG1 SER 10.A OG no hydrogen 3.029 N/A ASP 21.A N MET 9.A O no hydrogen 2.963 N/A SER 22.A N TRP 34.A O no hydrogen 2.941 N/A VAL 23.A N LEU 7.A O no hydrogen 3.113 N/A VAL 24.A N HIS 32.A O no hydrogen 2.899 N/A TRP 25.A N ARG 5.A O no hydrogen 2.777 N/A LEU 26.A N LEU 29.A O no hydrogen 3.060 N/A GLY 27.A N THR 3.A O no hydrogen 2.934 N/A LEU 29.A N LEU 26.A O no hydrogen 3.454 N/A GLN 30.A N GLU 230.A OE1 no hydrogen 3.327 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 2.975 N/A THR 31.A N VAL 24.A O no hydrogen 2.551 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.031 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.828 N/A HIS 32.A N VAL 24.A O no hydrogen 3.409 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.828 N/A ARG 33.A N SER 42.A O no hydrogen 2.871 N/A TRP 34.A N SER 22.A O no hydrogen 2.812 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.879 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 2.928 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 2.548 N/A ASP 37.A N SER 35.A OG no hydrogen 2.903 N/A SER 38.A N SER 35.A O no hydrogen 2.980 N/A SER 38.A OG THR 40.A O no hydrogen 2.600 N/A THR 40.A N SER 38.A OG no hydrogen 3.175 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.785 N/A SER 42.A N ARG 33.A O no hydrogen 2.737 N/A THR 44.A N THR 31.A O no hydrogen 2.976 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.815 N/A LYS 45.A N SER 48.A OG no hydrogen 3.011 N/A LYS 45.A NZ GLN 30.A O no hydrogen 3.537 N/A LYS 45.A NZ GLU 230.A OE2 no hydrogen 2.353 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.626 N/A SER 48.A N LYS 45.A O no hydrogen 3.417 N/A SER 48.A OG THR 31.A O no hydrogen 2.488 N/A SER 48.A OG LYS 45.A O no hydrogen 3.023 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.870 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.031 N/A GLY 50.A N TRP 47.A O no hydrogen 2.913 N/A LEU 52.A N GLN 49.A O no hydrogen 3.246 N/A SER 53.A N GLN 56.A OE1 no hydrogen 2.887 N/A SER 53.A OG GLN 56.A OE1 no hydrogen 2.845 N/A GLN 56.A N SER 53.A OG no hydrogen 3.182 N/A TRP 57.A N SER 53.A O no hydrogen 2.954 N/A GLU 58.A N ASN 54.A O no hydrogen 2.766 N/A LYS 59.A N GLN 55.A O no hydrogen 3.124 N/A LEU 60.A N GLN 56.A O no hydrogen 3.030 N/A GLN 61.A N TRP 57.A O no hydrogen 2.733 N/A HIS 62.A N GLU 58.A O no hydrogen 3.128 N/A MET 63.A N LYS 59.A O no hydrogen 3.330 N/A PHE 64.A N LEU 60.A O no hydrogen 3.348 N/A GLN 65.A N GLN 61.A O no hydrogen 2.713 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.813 N/A VAL 66.A N HIS 62.A O no hydrogen 2.907 N/A TYR 67.A N MET 63.A O no hydrogen 3.087 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.623 N/A ARG 68.A N PHE 64.A O no hydrogen 2.893 N/A ARG 68.A NH1 SER 35.A O no hydrogen 3.078 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.382 N/A ARG 68.A NH2 SER 38.A O no hydrogen 3.177 N/A SER 70.A N VAL 66.A O no hydrogen 3.150 N/A SER 70.A OG VAL 66.A O no hydrogen 2.865 N/A PHE 71.A N TYR 67.A O no hydrogen 2.561 N/A THR 72.A N ARG 68.A O no hydrogen 3.192 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.710 N/A ARG 73.A N VAL 69.A O no hydrogen 3.184 N/A ASP 74.A N SER 70.A O no hydrogen 2.707 N/A ILE 75.A N PHE 71.A O no hydrogen 3.005 N/A GLN 76.A N THR 72.A O no hydrogen 3.265 N/A GLU 77.A N ARG 73.A O no hydrogen 2.998 N/A LEU 78.A N ASP 74.A O no hydrogen 2.698 N/A VAL 79.A N ILE 75.A O no hydrogen 2.912 N/A LYS 80.A N GLN 76.A O no hydrogen 3.458 N/A LYS 80.A NZ GLU 77.A OE1 no hydrogen 3.010 N/A MET 81.A N GLU 77.A O no hydrogen 2.875 N/A MET 82.A N LEU 78.A O no hydrogen 3.123 N/A SER 83.A N VAL 79.A O no hydrogen 2.746 N/A LYS 85.A N MET 82.A O no hydrogen 3.143 N/A ILE 90.A N PHE 12.A O no hydrogen 2.786 N/A GLU 91.A N GLN 115.A OE1 no hydrogen 2.846 N/A ILE 92.A N SER 10.A O no hydrogen 2.913 N/A GLN 93.A N ALA 113.A O no hydrogen 2.990 N/A LEU 94.A N GLN 8.A O no hydrogen 3.103 N/A SER 95.A N HIS 111.A O no hydrogen 2.921 N/A ALA 96.A N CYS 6.A O no hydrogen 2.971 N/A GLY 97.A N PHE 109.A O no hydrogen 3.173 N/A CYS 98.A N PHE 4.A O no hydrogen 3.138 N/A GLU 99.A N GLU 107.A O no hydrogen 3.154 N/A MET 100.A N TYR 2.A O no hydrogen 2.700 N/A TYR 101.A N ALA 105.A O no hydrogen 3.126 N/A GLU 107.A N GLU 99.A O no hydrogen 3.447 N/A SER 108.A OG LEU 158.A O no hydrogen 2.559 N/A PHE 109.A N GLY 97.A O no hydrogen 2.939 N/A HIS 111.A N SER 95.A O no hydrogen 2.876 N/A VAL 112.A N VAL 120.A O no hydrogen 2.736 N/A ALA 113.A N GLN 93.A O no hydrogen 2.757 N/A PHE 114.A N LYS 117.A O no hydrogen 2.783 N/A GLN 115.A N GLU 91.A O no hydrogen 2.877 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 3.206 N/A LYS 117.A N PHE 114.A O no hydrogen 3.012 N/A VAL 119.A N VAL 112.A O no hydrogen 3.014 N/A VAL 120.A N VAL 112.A O no hydrogen 3.313 N/A ARG 121.A N GLN 128.A O no hydrogen 2.935 N/A ARG 121.A NE GLN 128.A OE1 no hydrogen 2.614 N/A ARG 121.A NH2 GLN 128.A OE1 no hydrogen 2.843 N/A PHE 122.A N LEU 110.A O no hydrogen 3.066 N/A TRP 123.A N SER 126.A O no hydrogen 3.046 N/A SER 126.A N TRP 123.A O no hydrogen 3.428 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.775 N/A GLN 128.A N ARG 121.A O no hydrogen 2.953 N/A VAL 130.A N VAL 119.A O no hydrogen 2.958 N/A ALA 133.A N VAL 130.A O no hydrogen 3.275 N/A LEU 137.A N PRO 134.A O no hydrogen 3.145 N/A ASP 138.A N SER 135.A O no hydrogen 2.911 N/A LEU 139.A N TRP 136.A O no hydrogen 3.358 N/A ILE 141.A N LEU 137.A O no hydrogen 2.939 N/A LYS 142.A N ASP 138.A O no hydrogen 2.887 N/A VAL 143.A N LEU 139.A O no hydrogen 3.091 N/A VAL 143.A N PRO 140.A O no hydrogen 3.229 N/A LEU 144.A N PRO 140.A O no hydrogen 2.934 N/A ASN 145.A N ILE 141.A O no hydrogen 3.003 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 2.950 N/A ALA 146.A N VAL 143.A O no hydrogen 2.906 N/A ASP 147.A N LEU 144.A O no hydrogen 3.292 N/A THR 150.A N ASP 147.A OD1 no hydrogen 3.303 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 2.560 N/A SER 151.A N ASP 147.A O no hydrogen 3.284 N/A SER 151.A OG THR 125.A O no hydrogen 2.558 N/A ALA 152.A N GLN 148.A O no hydrogen 3.025 N/A THR 153.A N GLY 149.A O no hydrogen 3.188 N/A THR 153.A OG1 GLY 149.A O no hydrogen 2.582 N/A VAL 154.A N THR 150.A O no hydrogen 2.857 N/A GLN 155.A N SER 151.A O no hydrogen 2.904 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.643 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 3.234 N/A MET 156.A N ALA 152.A O no hydrogen 3.081 N/A LEU 157.A N THR 153.A O no hydrogen 3.026 N/A LEU 158.A N VAL 154.A O no hydrogen 3.037 N/A ASN 159.A N GLN 155.A O no hydrogen 2.831 N/A ASP 160.A N MET 156.A O no hydrogen 2.862 N/A THR 161.A N MET 156.A O no hydrogen 3.015 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.513 N/A CYS 162.A N LEU 157.A O no hydrogen 2.758 N/A LEU 164.A N ASP 160.A O no hydrogen 3.333 N/A PHE 165.A N THR 161.A O no hydrogen 2.802 N/A VAL 166.A N CYS 162.A O no hydrogen 3.000 N/A ARG 167.A N PRO 163.A O no hydrogen 2.915 N/A GLY 168.A N LEU 164.A O no hydrogen 3.136 N/A LEU 169.A N PHE 165.A O no hydrogen 2.924 N/A LEU 170.A N VAL 166.A O no hydrogen 2.791 N/A ALA 172.A N GLY 168.A O no hydrogen 3.238 N/A GLY 173.A N LEU 169.A O no hydrogen 2.610 N/A LYS 174.A N GLU 171.A O no hydrogen 3.311 N/A LYS 174.A NZ GLU 178.A OE1 no hydrogen 2.739 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 3.463 N/A LEU 177.A N GLY 173.A O no hydrogen 2.994 N/A GLU 178.A N LYS 174.A O no hydrogen 2.944 N/A LYS 179.A N ASP 176.A O no hydrogen 3.265 N/A LYS 179.A NZ GLU 230.A O no hydrogen 3.068 N/A GLU 181.A N TYR 201.A O no hydrogen 2.993 N/A VAL 184.A N SER 198.A O no hydrogen 2.745 N/A TRP 186.A N HIS 196.A O no hydrogen 2.880 N/A SER 188.A N VAL 194.A O no hydrogen 3.092 N/A SER 188.A OG HIS 196.A NE2 no hydrogen 2.791 N/A VAL 190.A N GLN 192.A O no hydrogen 3.099 N/A LEU 193.A N LEU 238.A O no hydrogen 3.128 N/A VAL 194.A N SER 188.A O no hydrogen 2.680 N/A CYS 195.A N ALA 236.A O no hydrogen 2.819 N/A HIS 196.A N TRP 186.A O no hydrogen 2.744 N/A HIS 196.A ND1 TYR 233.A OH no hydrogen 2.884 N/A HIS 196.A NE2 SER 188.A OG no hydrogen 2.791 N/A VAL 197.A N LEU 234.A O no hydrogen 2.857 N/A SER 198.A N VAL 184.A O no hydrogen 2.877 N/A GLY 199.A N TRP 232.A O no hydrogen 2.746 N/A TYR 201.A N GLU 181.A O no hydrogen 2.933 N/A TYR 201.A OH ASP 28.A OD1 no hydrogen 2.397 N/A TRP 206.A N LYS 253.A O no hydrogen 3.058 N/A MET 208.A N ARG 251.A O no hydrogen 3.148 N/A TRP 209.A NE1 ALA 236.A O no hydrogen 3.317 N/A MET 210.A N ALA 249.A O no hydrogen 3.060 N/A ARG 211.A N GLN 214.A O no hydrogen 3.160 N/A GLN 214.A N ARG 211.A O no hydrogen 3.280 N/A GLN 216.A N TRP 209.A O no hydrogen 2.930 N/A THR 219.A N GLN 216.A O no hydrogen 3.232 N/A THR 219.A OG1 GLN 216.A O no hydrogen 2.667 N/A HIS 220.A N THR 237.A O no hydrogen 2.731 N/A GLY 222.A N GLN 235.A O no hydrogen 2.946 N/A LEU 225.A N TYR 233.A O no hydrogen 2.700 N/A ASN 227.A N THR 231.A O no hydrogen 2.952 N/A ASN 227.A ND2 THR 231.A OG1 no hydrogen 2.914 N/A THR 231.A OG1 ASP 229.A OD1 no hydrogen 2.648 N/A TRP 232.A N PHE 200.A O no hydrogen 2.842 N/A TRP 232.A NE1 ASP 28.A OD2 no hydrogen 3.341 N/A TYR 233.A N LEU 225.A O no hydrogen 2.703 N/A TYR 233.A OH HIS 196.A ND1 no hydrogen 2.884 N/A LEU 234.A N VAL 197.A O no hydrogen 2.877 N/A GLN 235.A NE2 TYR 233.A OH no hydrogen 2.992 N/A ALA 236.A N CYS 195.A O no hydrogen 3.054 N/A THR 237.A N HIS 220.A O no hydrogen 3.007 N/A THR 237.A OG1 HIS 220.A O no hydrogen 3.236 N/A LEU 238.A N LEU 193.A O no hydrogen 3.153 N/A GLU 241.A N GLU 244.A OE1 no hydrogen 3.298 N/A GLY 243.A N GLU 245.A OE2 no hydrogen 2.748 N/A GLU 244.A N GLU 241.A O no hydrogen 3.228 N/A ALA 249.A N MET 210.A O no hydrogen 3.025 N/A CYS 250.A N LEU 264.A O no hydrogen 2.894 N/A ARG 251.A N MET 208.A O no hydrogen 3.009 N/A VAL 252.A N ILE 262.A O no hydrogen 3.109 N/A LYS 253.A N TRP 206.A O no hydrogen 2.937 N/A LYS 253.A NZ ASP 261.A OD2 no hydrogen 2.564 N/A HIS 254.A ND1 SER 256.A OG no hydrogen 2.692 N/A HIS 254.A NE2 PRO 202.A O no hydrogen 2.852 N/A SER 255.A OG GLN 180.A OE1 no hydrogen 3.266 N/A SER 256.A N HIS 254.A ND1 no hydrogen 3.164 N/A SER 256.A OG HIS 254.A ND1 no hydrogen 2.692 N/A LEU 257.A N HIS 254.A O no hydrogen 3.311 N/A ILE 262.A N VAL 252.A O no hydrogen 3.024 N/A LEU 264.A N CYS 250.A O no hydrogen 3.469 N/A TRP 266.A N LEU 248.A O no hydrogen 2.865 N/A