Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mql_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 57.A OE2 no hydrogen 3.223 N/A GLU 9.A N PHE 26.A O no hydrogen 2.719 N/A LEU 11.A N VAL 24.A O no hydrogen 2.803 N/A VAL 13.A N ILE 22.A O no hydrogen 2.877 N/A SER 15.A N ARG 20.A O no hydrogen 2.816 N/A SER 15.A OG GLU 102.A OE1 no hydrogen 2.697 N/A SER 17.A N GLU 102.A OE2 no hydrogen 2.869 N/A SER 17.A OG SER 15.A OG no hydrogen 3.229 N/A SER 17.A OG GLU 102.A OE1 no hydrogen 3.316 N/A SER 17.A OG GLU 102.A OE2 no hydrogen 2.894 N/A MET 18.A N SER 15.A OG no hydrogen 3.074 N/A ARG 20.A N SER 15.A O no hydrogen 3.355 N/A ARG 20.A NE MET 18.A O no hydrogen 3.028 N/A ARG 20.A NH2 ASN 90.A OD1 no hydrogen 3.210 N/A ILE 22.A N VAL 13.A O no hydrogen 2.809 N/A LYS 23.A NZ ASP 45.A O no hydrogen 2.782 N/A VAL 24.A N LEU 11.A O no hydrogen 2.907 N/A GLN 25.A N MET 68.A O no hydrogen 2.862 N/A GLN 25.A NE2 ASP 50.A OD1 no hydrogen 2.904 N/A PHE 26.A N GLU 9.A O no hydrogen 2.893 N/A GLN 27.A N VAL 66.A O no hydrogen 2.951 N/A GLN 27.A NE2 PHE 56.A O no hydrogen 2.971 N/A ALA 33.A N ASN 118.A OD1 no hydrogen 2.828 N/A VAL 34.A N SER 65.A O no hydrogen 2.865 N/A TYR 35.A N ALA 119.A O no hydrogen 2.800 N/A LEU 36.A N ILE 67.A O no hydrogen 2.807 N/A LEU 37.A N VAL 121.A O no hydrogen 2.839 N/A ASP 38.A N TYR 77.A OH no hydrogen 2.903 N/A GLY 39.A N ASP 38.A OD1 no hydrogen 2.766 N/A ARG 41.A NH1 ASP 168.A O no hydrogen 3.332 N/A ARG 41.A NH1 ASP 168.A OD2 no hydrogen 3.420 N/A ARG 41.A NH2 ASP 168.A OD2 no hydrogen 2.825 N/A ARG 41.A NH2 ASP 220.A OD1 no hydrogen 2.870 N/A ALA 42.A N GLY 39.A O no hydrogen 3.186 N/A TYR 46.A N ASP 45.A OD2 no hydrogen 2.803 N/A ASN 47.A N GLN 25.A OE1 no hydrogen 2.896 N/A ASN 47.A ND2 LEU 36.A O no hydrogen 3.021 N/A ASN 47.A ND2 PRO 69.A O no hydrogen 2.807 N/A GLY 48.A N ASP 38.A OD1 no hydrogen 3.292 N/A GLY 48.A N ASP 38.A OD2 no hydrogen 2.863 N/A TRP 49.A N ASN 47.A OD1 no hydrogen 2.852 N/A TRP 49.A NE1 LEU 37.A O no hydrogen 2.837 N/A ASP 50.A N ASN 47.A O no hydrogen 2.899 N/A ILE 51.A N ASN 47.A O no hydrogen 3.135 N/A ASN 52.A N GLY 48.A O no hydrogen 2.970 N/A ASN 52.A ND2 GLY 48.A O no hydrogen 3.003 N/A THR 53.A N TRP 49.A O no hydrogen 3.003 N/A THR 53.A OG1 TRP 49.A O no hydrogen 2.644 N/A ALA 55.A N THR 53.A OG1 no hydrogen 3.056 N/A GLU 58.A N PRO 54.A O no hydrogen 2.816 N/A TYR 59.A N ALA 55.A O no hydrogen 3.035 N/A TYR 59.A OH LEU 269.A O no hydrogen 2.778 N/A TYR 60.A N GLU 57.A O no hydrogen 3.335 N/A SER 62.A N TYR 59.A O no hydrogen 3.192 N/A SER 62.A OG TYR 59.A O no hydrogen 2.731 N/A LEU 64.A N SER 62.A OG no hydrogen 3.121 N/A SER 65.A N HIS 32.A O no hydrogen 2.876 N/A SER 65.A OG GLY 30.A O no hydrogen 2.683 N/A VAL 66.A N GLN 27.A O no hydrogen 2.847 N/A ILE 67.A N VAL 34.A O no hydrogen 2.906 N/A MET 68.A N GLN 25.A O no hydrogen 2.820 N/A VAL 70.A N LYS 23.A O no hydrogen 2.816 N/A GLN 73.A NE2 SER 169.A OG no hydrogen 2.959 N/A SER 74.A N LEU 40.A O no hydrogen 2.960 N/A SER 74.A OG SER 169.A O no hydrogen 2.784 N/A SER 75.A N GLY 72.A O no hydrogen 2.971 N/A SER 75.A OG GLY 72.A O no hydrogen 2.824 N/A TYR 77.A N SER 75.A OG no hydrogen 3.033 N/A THR 78.A N SER 75.A O no hydrogen 3.318 N/A TRP 80.A N TYR 93.A O no hydrogen 2.875 N/A TRP 80.A NE1 SER 75.A O no hydrogen 2.970 N/A TYR 81.A N MET 177.A O no hydrogen 3.129 N/A TYR 81.A OH ASP 183.A OD1 no hydrogen 2.558 N/A GLN 82.A N SER 176.A O no hydrogen 3.090 N/A SER 84.A N GLN 89.A OE1 no hydrogen 2.813 N/A GLN 85.A N SER 176.A OG no hydrogen 2.920 N/A SER 86.A N SER 84.A O no hydrogen 3.079 N/A ASN 87.A ND2 GLY 170.A O no hydrogen 2.942 N/A GLN 89.A N ASN 87.A OD1 no hydrogen 3.235 N/A TYR 93.A OH GLN 73.A O no hydrogen 2.723 N/A LYS 94.A NZ TRP 80.A O no hydrogen 2.841 N/A TRP 95.A N THR 78.A O no hydrogen 3.118 N/A THR 97.A N ASP 79.A OD1 no hydrogen 2.911 N/A THR 97.A OG1 ASP 79.A OD2 no hydrogen 2.595 N/A PHE 98.A N LYS 94.A O no hydrogen 2.995 N/A LEU 99.A N TRP 95.A O no hydrogen 2.923 N/A THR 100.A N GLU 96.A O no hydrogen 2.960 N/A THR 100.A OG1 GLU 96.A O no hydrogen 2.698 N/A ARG 101.A N THR 97.A O no hydrogen 2.963 N/A ARG 101.A NH1 THR 100.A O no hydrogen 3.068 N/A ARG 101.A NH1 GLN 140.A OE1.A no hydrogen 3.173 N/A GLU 102.A N THR 97.A O no hydrogen 3.210 N/A MET 103.A N PHE 98.A O no hydrogen 2.791 N/A ALA 105.A N ARG 101.A O no hydrogen 3.092 N/A TRP 106.A N GLU 102.A O no hydrogen 3.130 N/A LEU 107.A N MET 103.A O no hydrogen 2.951 N/A GLN 108.A N PRO 104.A O no hydrogen 2.915 N/A ALA 109.A N ALA 105.A O no hydrogen 2.998 N/A ASN 110.A N TRP 106.A O no hydrogen 2.983 N/A ASN 110.A ND2 TRP 106.A O no hydrogen 3.013 N/A LYS 111.A N LEU 107.A O no hydrogen 2.982 N/A LYS 111.A NZ GLU 9.A OE1 no hydrogen 2.727 N/A GLY 112.A N GLN 108.A O no hydrogen 2.940 N/A VAL 113.A N LEU 107.A O no hydrogen 3.239 N/A SER 114.A N PRO 31.A O no hydrogen 2.796 N/A SER 114.A OG THR 116.A O no hydrogen 2.796 N/A THR 116.A N SER 114.A OG no hydrogen 3.131 N/A THR 116.A OG1 SER 114.A OG no hydrogen 3.235 N/A GLY 117.A N GLN 139.A O no hydrogen 2.926 N/A ASN 118.A N GLN 140.A O.A no hydrogen 3.032 N/A ASN 118.A N GLN 140.A O.B no hydrogen 2.805 N/A ASN 118.A ND2 SER 114.A O no hydrogen 2.973 N/A ASN 118.A ND2 GLN 140.A O.A no hydrogen 3.674 N/A ALA 119.A N ALA 33.A O no hydrogen 2.979 N/A ALA 120.A N TYR 143.A O no hydrogen 3.023 N/A VAL 121.A N TYR 35.A O no hydrogen 2.883 N/A GLY 122.A N ALA 145.A O no hydrogen 2.986 N/A LEU 123.A N SER 126.A OG no hydrogen 2.941 N/A SER 124.A N LEU 147.A O no hydrogen 3.163 N/A SER 124.A OG LEU 217.A O no hydrogen 2.741 N/A SER 126.A N LEU 123.A O no hydrogen 2.933 N/A SER 126.A OG ASP 38.A O no hydrogen 2.713 N/A SER 126.A OG LEU 123.A O no hydrogen 3.058 N/A GLY 127.A N SER 124.A O no hydrogen 3.009 N/A SER 129.A OG PHE 76.A O no hydrogen 2.745 N/A SER 129.A OG MET 125.A O no hydrogen 3.285 N/A ALA 130.A N SER 126.A O no hydrogen 2.936 N/A LEU 131.A N GLY 127.A O no hydrogen 3.399 N/A ILE 132.A N GLY 128.A O no hydrogen 2.898 N/A LEU 133.A N SER 129.A O no hydrogen 2.837 N/A ALA 134.A N ALA 130.A O no hydrogen 3.111 N/A ALA 135.A N LEU 131.A O no hydrogen 2.875 N/A TYR 136.A N ILE 132.A O no hydrogen 3.055 N/A TYR 136.A OH ARG 188.A O no hydrogen 2.702 N/A TYR 137.A N LEU 133.A O no hydrogen 2.798 N/A TYR 137.A OH GLU 96.A OE1 no hydrogen 2.581 N/A GLN 140.A N.A TYR 137.A O no hydrogen 2.973 N/A GLN 140.A NE2.A THR 100.A O no hydrogen 3.066 N/A GLN 140.A NE2.B TYR 35.A OH no hydrogen 3.080 N/A GLN 140.A NE2.B LEU 99.A O no hydrogen 2.969 N/A PHE 141.A N TYR 137.A O no hydrogen 2.991 N/A TYR 143.A OH ASP 275.A OD2 no hydrogen 2.706 N/A ALA 144.A N ARG 204.A O no hydrogen 2.930 N/A ALA 145.A N ALA 120.A O no hydrogen 2.798 N/A SER 146.A N TRP 206.A O no hydrogen 2.857 N/A LEU 147.A N GLY 122.A O no hydrogen 2.857 N/A SER 148.A N TYR 208.A O no hydrogen 2.828 N/A SER 148.A OG HIS 260.A ND1 no hydrogen 2.711 N/A SER 154.A N ASP 190.A OD2 no hydrogen 2.925 N/A SER 154.A OG ASP 190.A OD2 no hydrogen 2.652 N/A GLU 155.A N ASN 152.A O no hydrogen 3.083 N/A TRP 158.A N GLU 155.A O no hydrogen 2.897 N/A TRP 158.A NE1 THR 234.A OG1 no hydrogen 2.974 N/A LEU 161.A N TRP 157.A O no hydrogen 2.927 N/A ILE 162.A N TRP 158.A O no hydrogen 2.842 N/A GLY 163.A N PRO 159.A O no hydrogen 2.957 N/A LEU 164.A N THR 160.A O no hydrogen 2.931 N/A ALA 165.A N LEU 161.A O no hydrogen 2.900 N/A MET 166.A N ILE 162.A O no hydrogen 2.876 N/A ASN 167.A N GLY 163.A O no hydrogen 3.014 N/A ASP 168.A N LEU 164.A O no hydrogen 3.001 N/A SER 169.A N ALA 165.A O no hydrogen 2.998 N/A SER 169.A N MET 166.A O no hydrogen 3.198 N/A SER 169.A OG LEU 40.A O no hydrogen 2.938 N/A SER 169.A OG SER 74.A OG no hydrogen 3.323 N/A GLY 171.A N ASN 167.A O no hydrogen 2.926 N/A TYR 172.A N MET 166.A O no hydrogen 3.117 N/A ASN 173.A N SER 84.A OG no hydrogen 2.909 N/A ASN 173.A ND2 GLN 85.A O no hydrogen 3.097 N/A ASN 175.A N ASN 173.A OD1 no hydrogen 2.950 N/A SER 176.A N ASN 173.A O no hydrogen 2.935 N/A MET 177.A N ALA 174.A O no hydrogen 3.091 N/A TRP 178.A N ALA 174.A O no hydrogen 3.104 N/A TRP 178.A NE1 THR 78.A OG1 no hydrogen 3.046 N/A GLY 179.A N ASN 175.A O no hydrogen 2.939 N/A ASP 183.A N PRO 180.A O no hydrogen 2.777 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 2.912 N/A TRP 186.A N ASP 183.A O no hydrogen 3.103 N/A TRP 186.A NE1 GLY 179.A O no hydrogen 2.953 N/A ARG 188.A N PRO 184.A O no hydrogen 2.936 N/A ARG 188.A NH1 GLU 96.A OE1 no hydrogen 3.514 N/A ARG 188.A NH1 GLU 96.A OE2 no hydrogen 2.875 N/A ARG 188.A NH1 ASN 189.A OD1 no hydrogen 2.886 N/A ARG 188.A NH2 GLU 96.A OE1 no hydrogen 2.926 N/A ASN 189.A N ALA 185.A O no hydrogen 3.154 N/A ASN 189.A ND2 ALA 185.A O no hydrogen 2.861 N/A ASP 190.A N LYS 187.A O no hydrogen 3.101 N/A MET 192.A N LEU 151.A O no hydrogen 2.928 N/A VAL 193.A N ASP 190.A OD1 no hydrogen 3.123 N/A GLN 194.A N ASP 190.A O no hydrogen 2.971 N/A GLN 194.A NE2 LYS 187.A O no hydrogen 2.910 N/A ILE 195.A N MET 192.A O no hydrogen 3.286 N/A ARG 197.A N GLN 194.A O no hydrogen 2.892 N/A ARG 197.A NE GLN 194.A OE1 no hydrogen 2.727 N/A LEU 198.A N GLN 194.A O no hydrogen 3.316 N/A VAL 199.A N ILE 195.A O no hydrogen 2.884 N/A ALA 200.A N PRO 196.A O no hydrogen 2.956 N/A ASN 201.A N ARG 197.A O no hydrogen 2.837 N/A ASN 201.A ND2 ALA 134.A O no hydrogen 3.440 N/A ASN 201.A ND2 ALA 135.A O no hydrogen 3.144 N/A ASN 202.A N VAL 199.A O no hydrogen 2.941 N/A THR 203.A N LEU 198.A O no hydrogen 3.126 N/A THR 203.A OG1 LEU 198.A O no hydrogen 3.562 N/A ARG 204.A N PRO 142.A O no hydrogen 2.956 N/A ARG 204.A NE ASP 275.A OD2 no hydrogen 3.098 N/A ARG 204.A NH1 ASN 249.A OD1 no hydrogen 3.389 N/A ARG 204.A NH2 ASP 275.A OD1 no hydrogen 2.888 N/A ARG 204.A NH2 ASP 275.A OD2 no hydrogen 3.495 N/A ILE 205.A N ASN 249.A O no hydrogen 3.012 N/A TRP 206.A N ALA 144.A O no hydrogen 2.972 N/A TRP 206.A NE1 GLN 268.A OE1 no hydrogen 2.849 N/A VAL 207.A N VAL 251.A O no hydrogen 2.794 N/A TYR 208.A N SER 146.A O no hydrogen 2.908 N/A TYR 208.A OH THR 259.A O no hydrogen 2.728 N/A SER 209.A N ASN 253.A O no hydrogen 3.113 N/A SER 209.A OG GLY 210.A O no hydrogen 2.959 N/A ASN 211.A N GLY 258.A O no hydrogen 2.914 N/A ASN 211.A ND2 PRO 256.A O no hydrogen 2.877 N/A ASP 216.A N HIS 260.A O no hydrogen 2.729 N/A LEU 217.A N SER 215.A OG no hydrogen 3.035 N/A ASN 221.A ND2 LEU 164.A O no hydrogen 3.060 N/A ILE 222.A N GLY 219.A O no hydrogen 3.074 N/A PHE 226.A N PRO 223.A O no hydrogen 3.161 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.706 N/A GLY 229.A N LYS 225.A O no hydrogen 3.344 N/A LEU 230.A N PHE 226.A O no hydrogen 2.904 N/A THR 231.A N LEU 227.A O no hydrogen 2.916 N/A THR 231.A OG1 LEU 227.A O no hydrogen 2.764 N/A LEU 232.A N GLU 228.A O no hydrogen 3.477 N/A ARG 233.A N GLY 229.A O no hydrogen 3.017 N/A THR 234.A N LEU 230.A O no hydrogen 2.896 N/A THR 234.A OG1 LEU 230.A O no hydrogen 3.290 N/A ASN 235.A N THR 231.A O no hydrogen 3.055 N/A ASN 235.A ND2 GLY 149.A O no hydrogen 3.077 N/A ASN 235.A ND2 THR 231.A O no hydrogen 2.846 N/A GLN 236.A N LEU 232.A O no hydrogen 2.912 N/A THR 237.A N ARG 233.A O no hydrogen 2.975 N/A THR 237.A OG1 ARG 233.A O no hydrogen 3.186 N/A PHE 238.A N THR 234.A O no hydrogen 2.872 N/A ARG 239.A N ASN 235.A O no hydrogen 3.036 N/A ARG 239.A NE ASP 240.A OD2 no hydrogen 3.028 N/A ARG 239.A NH2 ASP 240.A OD2 no hydrogen 3.284 N/A ASP 240.A N GLN 236.A O no hydrogen 3.179 N/A THR 241.A N THR 237.A O no hydrogen 2.848 N/A THR 241.A OG1 THR 237.A O no hydrogen 2.893 N/A TYR 242.A N PHE 238.A O no hydrogen 2.852 N/A ALA 243.A N ARG 239.A O no hydrogen 3.140 N/A ALA 244.A N ASP 240.A O no hydrogen 2.944 N/A ASP 245.A N THR 241.A O no hydrogen 2.918 N/A ASP 245.A N TYR 242.A O no hydrogen 3.276 N/A GLY 246.A N ALA 243.A O no hydrogen 3.051 N/A GLY 247.A N TYR 242.A O no hydrogen 2.810 N/A ASN 249.A N TYR 242.A OH no hydrogen 2.925 N/A ASN 249.A ND2 ASN 202.A O no hydrogen 3.047 N/A VAL 251.A N ILE 205.A O no hydrogen 2.877 N/A ASN 253.A N VAL 207.A O no hydrogen 2.796 N/A ASN 253.A ND2 GLN 268.A OE1 no hydrogen 2.981 N/A GLY 258.A N PRO 255.A O no hydrogen 2.946 N/A THR 259.A OG1 SER 261.A OG no hydrogen 2.720 N/A HIS 260.A ND1 SER 148.A OG no hydrogen 2.711 N/A HIS 260.A NE2 GLU 228.A O no hydrogen 2.943 N/A SER 261.A OG THR 259.A OG1 no hydrogen 2.720 N/A TRP 262.A N ASP 216.A OD2 no hydrogen 2.946 N/A TRP 265.A N SER 261.A O no hydrogen 2.883 N/A TRP 265.A NE1 SER 148.A OG no hydrogen 2.953 N/A ASN 266.A N TRP 262.A O no hydrogen 2.812 N/A ASN 266.A ND2 GLU 58.A OE1 no hydrogen 3.295 N/A ASN 266.A ND2 GLU 58.A OE2 no hydrogen 2.581 N/A GLU 267.A N PRO 263.A O no hydrogen 2.966 N/A GLN 268.A N TYR 264.A O no hydrogen 2.905 N/A GLN 268.A NE2 GLU 267.A OE1 no hydrogen 2.873 N/A LEU 269.A N TRP 265.A O no hydrogen 2.898 N/A VAL 270.A N ASN 266.A O no hydrogen 2.899 N/A ALA 271.A N GLU 267.A O no hydrogen 2.909 N/A MET 272.A N GLN 268.A O no hydrogen 2.875 N/A LYS 273.A N VAL 270.A O no hydrogen 3.137 N/A ILE 276.A N MET 272.A O no hydrogen 2.845 N/A GLN 277.A N LYS 273.A O no hydrogen 2.908 N/A GLN 277.A NE2 SER 62.A O no hydrogen 2.957 N/A HIS 278.A N ALA 274.A O no hydrogen 2.996 N/A HIS 278.A ND1 ALA 274.A O no hydrogen 2.894 N/A VAL 279.A N ASP 275.A O no hydrogen 3.122 N/A LEU 280.A N ILE 276.A O no hydrogen 2.840 N/A ASN 281.A N GLN 277.A O no hydrogen 2.937 N/A ASN 281.A ND2 GLY 63.A O no hydrogen 3.303 N/A GLY 282.A N HIS 278.A O no hydrogen 3.095 N/A