Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 3.090 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.810 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.952 N/A MET 5.A N CYS 101.A O no hydrogen 2.941 N/A ARG 6.A N TYR 27.A O no hydrogen 2.924 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.127 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.826 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.898 N/A TYR 7.A N SER 99.A O.A no hydrogen 2.812 N/A TYR 7.A N SER 99.A O.B no hydrogen 2.972 N/A PHE 8.A N VAL 25.A O no hydrogen 2.821 N/A GLU 9.A N GLN 97.A O no hydrogen 2.904 N/A THR 10.A N ILE 23.A O no hydrogen 2.810 N/A ALA 11.A N LEU 95.A O no hydrogen 2.857 N/A VAL 12.A N ARG 21.A O no hydrogen 2.875 N/A SER 13.A N HIS 93.A O no hydrogen 2.886 N/A ARG 21.A N VAL 12.A O no hydrogen 2.919 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.120 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.431 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.658 N/A TYR 22.A N SER 38.A OG no hydrogen 2.913 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.597 N/A ILE 23.A N THR 10.A O no hydrogen 2.842 N/A SER 24.A N PHE 36.A O no hydrogen 2.911 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.478 N/A VAL 25.A N PHE 8.A O no hydrogen 2.828 N/A GLY 26.A N VAL 34.A O no hydrogen 3.028 N/A TYR 27.A N ARG 6.A O no hydrogen 2.733 N/A VAL 28.A N LYS 31.A O no hydrogen 2.964 N/A ASP 29.A N SER 4.A O no hydrogen 2.869 N/A LYS 31.A N VAL 28.A O no hydrogen 2.923 N/A PHE 33.A N GLY 26.A O no hydrogen 2.861 N/A ARG 35.A N GLU 46.A O no hydrogen 3.049 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 3.374 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 3.330 N/A PHE 36.A N SER 24.A O no hydrogen 2.905 N/A SER 38.A N TYR 22.A O no hydrogen 2.888 N/A SER 38.A OG TYR 22.A O no hydrogen 3.354 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.892 N/A ALA 40.A N ASP 37.A O no hydrogen 3.115 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.167 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.478 N/A GLU 46.A N ARG 35.A O no hydrogen 2.855 N/A ARG 48.A N PHE 33.A O no hydrogen 2.880 N/A MET 52.A N ALA 49.A O no hydrogen 3.226 N/A GLU 53.A N PRO 50.A O no hydrogen 3.106 N/A GLU 55.A N MET 52.A O no hydrogen 3.102 N/A TYR 59.A N GLY 56.A O no hydrogen 3.241 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.570 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.186 N/A GLU 61.A N PRO 57.A O no hydrogen 3.012 N/A ARG 62.A N GLU 58.A O no hydrogen 3.060 N/A ARG 62.A NH2 GLU 63.A OE2 no hydrogen 3.465 N/A GLU 63.A N TYR 59.A O no hydrogen 3.073 N/A THR 64.A N TRP 60.A O no hydrogen 2.992 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.895 N/A GLN 65.A N GLU 61.A O no hydrogen 3.192 N/A LYS 66.A N ARG 62.A O no hydrogen 2.979 N/A ALA 67.A N GLU 63.A O no hydrogen 2.961 N/A LYS 68.A N THR 64.A O no hydrogen 3.029 N/A GLY 69.A N GLN 65.A O no hydrogen 2.981 N/A GLN 70.A N LYS 66.A O no hydrogen 2.851 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.828 N/A GLN 70.A NE2 GLU 9.A OE2 no hydrogen 3.386 N/A GLU 71.A N ALA 67.A O no hydrogen 2.856 N/A GLN 72.A N LYS 68.A O no hydrogen 3.201 N/A TRP 73.A N GLY 69.A O no hydrogen 2.983 N/A PHE 74.A N GLN 70.A O no hydrogen 2.778 N/A ARG 75.A N GLU 71.A O no hydrogen 3.031 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 3.142 N/A ARG 75.A NH2 GLN 72.A OE1 no hydrogen 3.476 N/A VAL 76.A N GLN 72.A O no hydrogen 3.031 N/A SER 77.A N TRP 73.A O no hydrogen 2.901 N/A SER 77.A OG TRP 73.A O no hydrogen 2.961 N/A LEU 78.A N PHE 74.A O no hydrogen 2.890 N/A ARG 79.A N ARG 75.A O no hydrogen 3.201 N/A ASN 80.A N VAL 76.A O no hydrogen 2.933 N/A LEU 81.A N SER 77.A O no hydrogen 2.850 N/A LEU 82.A N LEU 78.A O no hydrogen 3.136 N/A TYR 84.A N ASN 80.A O no hydrogen 2.991 N/A TYR 85.A N LEU 81.A O no hydrogen 2.967 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.594 N/A ASN 86.A N GLY 83.A O no hydrogen 3.174 N/A GLN 87.A N LEU 82.A O no hydrogen 2.945 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 2.902 N/A HIS 93.A N SER 13.A O no hydrogen 3.107 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.667 N/A THR 94.A N.A GLU 119.A OE1 no hydrogen 3.127 N/A THR 94.A N.B GLU 119.A OE1 no hydrogen 3.132 N/A LEU 95.A N ALA 11.A O no hydrogen 2.962 N/A GLN 96.A N ALA 117.A O no hydrogen 2.837 N/A GLN 97.A N GLU 9.A O no hydrogen 2.936 N/A MET 98.A N GLN 115.A O no hydrogen 2.930 N/A SER 99.A N.A TYR 7.A O no hydrogen 3.107 N/A SER 99.A N.B TYR 7.A O no hydrogen 3.078 N/A SER 99.A OG.B GLN 97.A OE1 no hydrogen 2.865 N/A GLY 100.A N TYR 113.A O no hydrogen 3.004 N/A CYS 101.A N MET 5.A O no hydrogen 3.004 N/A ASP 102.A N ARG 111.A O no hydrogen 2.917 N/A LEU 103.A N HIS 3.A O no hydrogen 2.752 N/A GLY 104.A N ARG 108.A O.A no hydrogen 3.022 N/A GLY 104.A N ARG 108.A O.B no hydrogen 3.025 N/A TRP 107.A N GLY 104.A O no hydrogen 2.836 N/A ARG 108.A N.A ASP 106.A OD1 no hydrogen 2.953 N/A ARG 108.A N.B ASP 106.A OD1 no hydrogen 2.954 N/A LEU 110.A N ASP 102.A O no hydrogen 2.762 N/A ARG 111.A N ASP 102.A O no hydrogen 3.384 N/A TYR 113.A N GLY 100.A O no hydrogen 2.829 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.637 N/A GLN 115.A N MET 98.A O no hydrogen 2.937 N/A PHE 116.A N ILE 124.A O no hydrogen 2.823 N/A ALA 117.A N GLN 96.A O no hydrogen 2.831 N/A TYR 118.A N ARG 121.A O no hydrogen 2.997 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.500 N/A GLU 119.A N THR 94.A O.A no hydrogen 2.872 N/A GLU 119.A N THR 94.A O.B no hydrogen 2.912 N/A ARG 121.A N TYR 118.A O no hydrogen 3.094 N/A TYR 123.A N PHE 116.A O no hydrogen 2.916 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.759 N/A ALA 125.A N THR 134.A O.A no hydrogen 2.973 N/A ALA 125.A N THR 134.A O.B no hydrogen 2.950 N/A LEU 126.A N LEU 114.A O no hydrogen 2.760 N/A ASN 127.A N THR 132.A O no hydrogen 2.820 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.830 N/A LEU 130.A N ASN 127.A O no hydrogen 2.756 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.825 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.078 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.381 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.867 N/A THR 134.A N.A ALA 125.A O no hydrogen 2.926 N/A THR 134.A N.B ALA 125.A O no hydrogen 2.888 N/A THR 134.A OG1.B ASN 127.A OD1 no hydrogen 2.462 N/A GLN 141.A N MET 138.A O no hydrogen 3.217 N/A GLN 141.A NE2 ALA 135.A O no hydrogen 2.702 N/A GLN 141.A NE2 ALA 136.A O no hydrogen 3.625 N/A GLN 141.A NE2 ASP 137.A O no hydrogen 2.806 N/A ILE 142.A N ALA 139.A O no hydrogen 3.382 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.759 N/A ARG 144.A N.A ALA 140.A O no hydrogen 2.894 N/A ARG 144.A N.B ALA 140.A O no hydrogen 2.912 N/A ARG 144.A NE.A TRP 133.A O no hydrogen 3.464 N/A ARG 144.A NE.B GLN 141.A OE1 no hydrogen 2.842 N/A ARG 144.A NH1.B GLU 148.A OE2 no hydrogen 3.112 N/A ARG 144.A NH2.A TRP 133.A O no hydrogen 3.492 N/A ARG 144.A NH2.B GLN 141.A OE1 no hydrogen 2.739 N/A ARG 145.A N GLN 141.A O no hydrogen 2.992 N/A LYS 146.A N ILE 142.A O no hydrogen 3.076 N/A TRP 147.A N THR 143.A O no hydrogen 2.868 N/A GLU 148.A N ARG 144.A O.A no hydrogen 2.928 N/A GLU 148.A N ARG 144.A O.B no hydrogen 2.842 N/A GLN 149.A N ARG 145.A O no hydrogen 2.970 N/A SER 150.A N LYS 146.A O no hydrogen 2.992 N/A SER 150.A OG LYS 146.A O no hydrogen 3.451 N/A SER 150.A OG TRP 147.A O no hydrogen 3.543 N/A GLY 151.A N GLU 148.A O no hydrogen 3.390 N/A ALA 152.A N TRP 147.A O no hydrogen 3.064 N/A TYR 156.A N ALA 152.A O no hydrogen 3.096 N/A LYS 157.A N ALA 153.A O no hydrogen 2.834 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 3.048 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.322 N/A ALA 158.A N GLU 154.A O no hydrogen 3.017 N/A TYR 159.A N HIS 155.A O no hydrogen 3.100 N/A LEU 160.A N TYR 156.A O no hydrogen 2.858 N/A GLU 161.A N LYS 157.A O no hydrogen 2.916 N/A GLY 162.A N ALA 158.A O no hydrogen 2.923 N/A CYS 164.A N TYR 159.A O no hydrogen 2.851 N/A GLU 166.A N GLY 162.A O no hydrogen 2.953 N/A TRP 167.A N GLU 163.A O no hydrogen 2.964 N/A LEU 168.A N CYS 164.A O no hydrogen 3.036 N/A HIS 169.A N VAL 165.A O no hydrogen 2.938 N/A HIS 169.A NE2 TRP 107.A O no hydrogen 2.755 N/A ARG 170.A N.A GLU 166.A O no hydrogen 3.206 N/A ARG 170.A N.B GLU 166.A O no hydrogen 3.200 N/A ARG 170.A NE.A GLU 55.A OE2 no hydrogen 2.741 N/A ARG 170.A NE.B GLU 55.A OE2 no hydrogen 2.939 N/A ARG 170.A NH2.A GLU 55.A OE2 no hydrogen 3.287 N/A ARG 170.A NH2.B GLU 55.A OE1 no hydrogen 3.056 N/A TYR 171.A N TRP 167.A O no hydrogen 2.872 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.570 N/A LEU 172.A N LEU 168.A O no hydrogen 2.936 N/A LYS 173.A N HIS 169.A O no hydrogen 3.134 N/A ASN 174.A N ARG 170.A O.A no hydrogen 3.079 N/A ASN 174.A N ARG 170.A O.B no hydrogen 3.115 N/A GLY 175.A N TYR 171.A O no hydrogen 2.834 N/A ASP 180.A N TYR 204.A O no hydrogen 2.831 N/A SER 181.A OG GLY 254.A O no hydrogen 2.685 N/A LYS 183.A N LEU 201.A O no hydrogen 3.018 N/A HIS 185.A N TRP 199.A O no hydrogen 3.186 N/A THR 187.A N ARG 197.A O no hydrogen 2.799 N/A THR 187.A OG1 ARG 197.A O no hydrogen 2.983 N/A HIS 189.A N THR 195.A O no hydrogen 2.911 N/A ARG 191.A N GLU 193.A O no hydrogen 3.099 N/A ARG 191.A NE SER 192.A OG no hydrogen 3.340 N/A SER 192.A OG GLU 193.A OE1 no hydrogen 2.837 N/A VAL 194.A N VAL 238.A O no hydrogen 2.663 N/A THR 195.A N HIS 189.A O no hydrogen 2.917 N/A LEU 196.A N VAL 236.A O no hydrogen 3.022 N/A ARG 197.A N THR 187.A O no hydrogen 3.050 N/A CYS 198.A N ALA 234.A O no hydrogen 2.821 N/A TRP 199.A N HIS 185.A O no hydrogen 2.755 N/A TRP 199.A NE1 THR 187.A OG1 no hydrogen 3.083 N/A ALA 200.A N LYS 232.A O no hydrogen 2.847 N/A LEU 201.A N LYS 183.A O no hydrogen 3.053 N/A TYR 204.A N ASP 180.A O no hydrogen 2.978 N/A THR 209.A N TYR 251.A O no hydrogen 2.931 N/A THR 211.A N ARG 249.A O no hydrogen 2.908 N/A TRP 212.A NE1 ALA 234.A O no hydrogen 3.008 N/A GLN 213.A N THR 247.A O no hydrogen 3.035 N/A GLU 218.A N SER 235.A O no hydrogen 3.037 N/A VAL 220.A N TRP 233.A O no hydrogen 3.360 N/A ARG 223.A N GLN 231.A O no hydrogen 3.076 N/A ARG 223.A NH1 GLN 231.A OE1 no hydrogen 3.237 N/A ALA 225.A N THR 229.A O no hydrogen 2.838 N/A THR 229.A N ASP 227.A OD1 no hydrogen 2.888 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.394 N/A THR 229.A OG1 ASP 227.A OD2 no hydrogen 3.251 N/A PHE 230.A N PHE 203.A O no hydrogen 2.793 N/A GLN 231.A N ARG 223.A O no hydrogen 2.844 N/A LYS 232.A N ALA 200.A O no hydrogen 2.997 N/A LYS 232.A NZ VAL 220.A O no hydrogen 2.588 N/A ALA 234.A N CYS 198.A O no hydrogen 3.074 N/A SER 235.A N GLU 218.A O no hydrogen 2.759 N/A VAL 236.A N LEU 196.A O no hydrogen 3.071 N/A VAL 238.A N VAL 194.A O no hydrogen 2.706 N/A LYS 242.A N PRO 239.A O no hydrogen 3.343 N/A GLN 244.A NE2 TRP 263.A O no hydrogen 2.854 N/A THR 247.A N GLN 213.A O no hydrogen 3.274 N/A CYS 248.A N LEU 261.A O no hydrogen 2.633 N/A CYS 248.A SG THR 211.A O no hydrogen 3.921 N/A ARG 249.A N THR 211.A O no hydrogen 2.754 N/A VAL 250.A N LEU 259.A O no hydrogen 2.926 N/A TYR 251.A N THR 209.A O no hydrogen 2.798 N/A HIS 252.A NE2 PRO 205.A O no hydrogen 2.865 N/A GLY 254.A N HIS 252.A ND1 no hydrogen 2.926 N/A LEU 255.A N HIS 252.A O no hydrogen 2.968 N/A LEU 259.A N VAL 250.A O no hydrogen 3.121 N/A LEU 261.A N CYS 248.A O no hydrogen 2.702 N/A