Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 240.A OD1 no hydrogen 2.735 N/A MET 1.A N ASP 240.A OD2 no hydrogen 3.549 N/A LYS 3.A NZ THR 62.A OG1 no hydrogen 2.899 N/A VAL 4.A N ASP 32.A OD2 no hydrogen 3.086 N/A GLY 5.A N ILE 243.A O no hydrogen 2.669 N/A MET 6.A N LEU 33.A O no hydrogen 3.164 N/A PHE 7.A N MET 245.A O no hydrogen 3.149 N/A TYR 8.A N GLU 35.A O no hydrogen 2.821 N/A TYR 8.A OH TRP 15.A O no hydrogen 2.560 N/A TYR 10.A N PHE 7.A O no hydrogen 3.172 N/A TYR 10.A OH MET 274.A O no hydrogen 2.945 N/A TRP 11.A NE1 ASP 275.A OD1 no hydrogen 2.941 N/A SER 12.A OG GLU 14.A O no hydrogen 2.800 N/A GLU 14.A N SER 12.A OG no hydrogen 3.040 N/A ALA 21.A N ASP 18.A OD2 no hydrogen 3.197 N/A THR 22.A N ASP 18.A O no hydrogen 2.925 N/A THR 22.A OG1 ASP 18.A O no hydrogen 2.862 N/A ALA 23.A N PHE 19.A O no hydrogen 2.981 N/A LYS 24.A N PRO 20.A O no hydrogen 3.025 N/A ARG 25.A N ALA 21.A O no hydrogen 2.975 N/A ARG 25.A NE ASP 275.A OD1 no hydrogen 2.964 N/A ARG 25.A NE ASP 275.A OD2 no hydrogen 3.249 N/A ARG 25.A NH2 ASP 275.A OD2 no hydrogen 2.774 N/A ILE 26.A N THR 22.A O no hydrogen 2.885 N/A ALA 27.A N ALA 23.A O no hydrogen 2.879 N/A GLY 28.A N LYS 24.A O no hydrogen 2.938 N/A LEU 29.A N ARG 25.A O no hydrogen 3.193 N/A LEU 29.A N ILE 26.A O no hydrogen 3.082 N/A GLY 30.A N ALA 27.A O no hydrogen 3.261 N/A ASP 32.A N VAL 4.A O no hydrogen 2.889 N/A LEU 33.A N VAL 4.A O no hydrogen 3.224 N/A MET 34.A N THR 62.A O no hydrogen 2.970 N/A GLU 35.A N MET 6.A O no hydrogen 3.170 N/A ILE 36.A N MET 64.A O no hydrogen 3.112 N/A LEU 38.A N CYS 66.A O no hydrogen 3.152 N/A GLY 39.A N SER 37.A OG no hydrogen 3.267 N/A HIS 42.A N LEU 38.A O no hydrogen 2.825 N/A HIS 42.A ND1 ASP 96.A OD2 no hydrogen 2.581 N/A ASN 43.A N GLU 40.A O no hydrogen 2.750 N/A LEU 44.A N PHE 41.A O no hydrogen 2.931 N/A LYS 48.A N SER 45.A OG no hydrogen 3.068 N/A LYS 49.A N SER 45.A O no hydrogen 3.026 N/A LYS 49.A NZ HIS 42.A O no hydrogen 2.715 N/A LYS 49.A NZ ASP 96.A OD1 no hydrogen 2.997 N/A LYS 49.A NZ ASP 96.A OD2 no hydrogen 3.376 N/A ARG 50.A N ASP 46.A O no hydrogen 2.965 N/A GLU 51.A N ALA 47.A O no hydrogen 3.050 N/A LEU 52.A N LYS 48.A O no hydrogen 3.393 N/A LYS 53.A N LYS 49.A O no hydrogen 3.376 N/A LYS 53.A NZ ASP 57.A OD1 no hydrogen 2.717 N/A LYS 53.A NZ ASP 57.A OD2 no hydrogen 3.272 N/A ALA 54.A N ARG 50.A O no hydrogen 3.027 N/A VAL 55.A N GLU 51.A O no hydrogen 2.882 N/A ALA 56.A N LEU 52.A O no hydrogen 2.764 N/A ASP 57.A N LYS 53.A O no hydrogen 2.781 N/A ASP 58.A N ALA 54.A O no hydrogen 2.799 N/A LEU 59.A N VAL 55.A O no hydrogen 2.925 N/A GLY 60.A N ASP 57.A O no hydrogen 3.204 N/A LEU 61.A N ALA 56.A O no hydrogen 2.801 N/A THR 62.A N ASP 32.A O no hydrogen 3.183 N/A MET 64.A N MET 34.A O no hydrogen 3.059 N/A CYS 65.A N VAL 104.A O no hydrogen 3.150 N/A CYS 66.A N ILE 36.A O no hydrogen 3.146 N/A CYS 66.A SG ILE 36.A O no hydrogen 3.844 N/A ILE 67.A N ALA 106.A O no hydrogen 2.987 N/A LEU 69.A N LEU 108.A O no hydrogen 3.277 N/A TYR 73.A N LYS 70.A O no hydrogen 2.828 N/A ASP 74.A N SER 71.A O no hydrogen 3.237 N/A ALA 76.A N ASP 74.A OD1 no hydrogen 2.954 N/A SER 77.A N ASP 74.A O no hydrogen 3.210 N/A ASP 79.A N SER 77.A OG no hydrogen 2.946 N/A LYS 80.A NZ ASP 84.A OD1 no hydrogen 2.884 N/A SER 81.A N ASP 79.A OD1 no hydrogen 2.794 N/A SER 81.A OG ASP 79.A OD1 no hydrogen 2.551 N/A VAL 82.A N ASP 79.A O no hydrogen 3.095 N/A VAL 82.A N ASP 79.A OD1 no hydrogen 3.404 N/A ARG 83.A N ASP 79.A O no hydrogen 3.198 N/A ARG 83.A NH2 SER 77.A O no hydrogen 2.990 N/A ARG 83.A NH2 PRO 78.A O no hydrogen 3.127 N/A ASP 84.A N LYS 80.A O no hydrogen 3.024 N/A ALA 85.A N SER 81.A O no hydrogen 3.100 N/A GLY 86.A N VAL 82.A O no hydrogen 2.966 N/A THR 87.A N ARG 83.A O no hydrogen 2.755 N/A THR 87.A OG1 ARG 83.A O no hydrogen 3.347 N/A THR 87.A OG1 ASP 84.A O no hydrogen 2.906 N/A GLU 88.A N ASP 84.A O no hydrogen 2.901 N/A TYR 89.A N ALA 85.A O no hydrogen 3.095 N/A VAL 90.A N GLY 86.A O no hydrogen 2.802 N/A LYS 91.A N THR 87.A O no hydrogen 3.121 N/A ARG 92.A N GLU 88.A O no hydrogen 3.342 N/A LEU 93.A N TYR 89.A O no hydrogen 3.028 N/A LEU 94.A N VAL 90.A O no hydrogen 2.943 N/A ASP 95.A N LYS 91.A O no hydrogen 3.097 N/A ASP 96.A N ARG 92.A O no hydrogen 3.130 N/A CYS 97.A N LEU 93.A O no hydrogen 2.884 N/A CYS 97.A SG LEU 93.A O no hydrogen 3.517 N/A HIS 98.A N LEU 94.A O no hydrogen 2.882 N/A LEU 99.A N ASP 95.A O no hydrogen 2.997 N/A LEU 100.A N ASP 96.A O no hydrogen 2.997 N/A GLY 101.A N HIS 98.A O no hydrogen 2.843 N/A ALA 102.A N CYS 97.A O no hydrogen 3.016 N/A PHE 105.A N ILE 148.A O no hydrogen 2.740 N/A ALA 106.A N CYS 65.A O no hydrogen 2.798 N/A GLY 107.A N GLN 183.A OE1 no hydrogen 2.799 N/A THR 109.A N GLY 107.A O no hydrogen 2.751 N/A THR 109.A OG1 GLY 107.A O no hydrogen 3.492 N/A THR 109.A OG1 ALA 150.A O no hydrogen 2.718 N/A TRP 113.A N LEU 69.A O no hydrogen 3.034 N/A TRP 113.A NE1 GLU 158.A OE1 no hydrogen 2.663 N/A GLN 115.A N GLU 158.A O no hydrogen 2.853 N/A GLN 115.A NE2 ASP 74.A OD2 no hydrogen 3.358 N/A LYS 124.A NZ TRP 160.A O no hydrogen 2.937 N/A LYS 124.A NZ LEU 161.A O no hydrogen 3.148 N/A LYS 124.A NZ GLU 167.A OE2 no hydrogen 2.666 N/A ARG 125.A N ASP 123.A OD2 no hydrogen 2.795 N/A ARG 125.A NE ASP 129.A OD2 no hydrogen 3.048 N/A ARG 125.A NH2 ASP 129.A OD2 no hydrogen 3.163 N/A TYR 127.A N LYS 124.A O no hydrogen 2.846 N/A VAL 128.A N LYS 124.A O no hydrogen 2.957 N/A ASP 129.A N ARG 125.A O no hydrogen 2.846 N/A ARG 130.A N PRO 126.A O no hydrogen 3.230 N/A ARG 130.A NE ALA 76.A O no hydrogen 2.818 N/A ARG 130.A NH2 ALA 76.A O no hydrogen 3.568 N/A ALA 131.A N TYR 127.A O no hydrogen 2.983 N/A ILE 132.A N VAL 128.A O no hydrogen 2.828 N/A GLU 133.A N ASP 129.A O no hydrogen 3.068 N/A SER 134.A N ARG 130.A O no hydrogen 3.005 N/A SER 134.A OG PHE 75.A O no hydrogen 2.706 N/A SER 134.A OG ARG 130.A O no hydrogen 3.031 N/A VAL 135.A N ALA 131.A O no hydrogen 3.077 N/A ARG 136.A N ILE 132.A O no hydrogen 3.067 N/A ARG 137.A N GLU 133.A O no hydrogen 2.968 N/A ARG 137.A N SER 134.A O no hydrogen 2.999 N/A ARG 137.A NH1 ASP 84.A OD2 no hydrogen 2.442 N/A ARG 137.A NH2 ASP 84.A OD2 no hydrogen 3.046 N/A VAL 138.A N VAL 135.A O no hydrogen 3.131 N/A ILE 139.A N VAL 135.A O no hydrogen 2.912 N/A LYS 140.A NZ ASP 144.A OD2 no hydrogen 3.230 N/A VAL 141.A N VAL 138.A O no hydrogen 3.148 N/A GLU 143.A N ILE 139.A O no hydrogen 3.021 N/A ASP 144.A N LYS 140.A O no hydrogen 2.894 N/A TYR 145.A N VAL 141.A O no hydrogen 3.085 N/A TYR 145.A OH ASP 95.A OD2 no hydrogen 2.689 N/A GLY 146.A N GLU 143.A O no hydrogen 3.086 N/A ILE 147.A N ALA 142.A O no hydrogen 2.844 N/A ILE 148.A N PRO 103.A O no hydrogen 2.734 N/A TYR 149.A N ALA 179.A O no hydrogen 2.620 N/A TYR 149.A OH THR 109.A O no hydrogen 2.650 N/A ALA 150.A N PHE 105.A O no hydrogen 2.846 N/A LEU 151.A N LYS 181.A O no hydrogen 2.913 N/A GLU 152.A N GLY 107.A O no hydrogen 3.131 N/A VAL 153.A N GLN 183.A O no hydrogen 3.068 N/A ASN 155.A N HIS 188.A ND1 no hydrogen 2.954 N/A ASN 155.A ND2 GLU 158.A OE2 no hydrogen 3.103 N/A ASN 155.A ND2 HIS 188.A ND1 no hydrogen 2.938 N/A ARG 156.A N GLU 192.A OE2 no hydrogen 3.106 N/A ARG 156.A NE GLU 192.A OE2 no hydrogen 2.602 N/A ARG 156.A NH2 GLU 192.A OE1 no hydrogen 2.846 N/A ARG 156.A NH2 GLU 192.A OE2 no hydrogen 3.390 N/A PHE 157.A N ASN 155.A OD1 no hydrogen 2.697 N/A GLU 158.A N ASN 155.A O no hydrogen 3.028 N/A GLN 159.A N ASN 155.A O no hydrogen 3.275 N/A GLN 159.A NE2 ALA 112.A O no hydrogen 2.734 N/A TRP 160.A N GLN 159.A OE1 no hydrogen 2.747 N/A LEU 161.A N GLN 159.A OE1 no hydrogen 2.974 N/A ASN 163.A N GLU 167.A OE1 no hydrogen 2.683 N/A ASN 163.A ND2 VAL 154.A O no hydrogen 2.891 N/A ASN 163.A ND2 GLN 159.A O no hydrogen 3.230 N/A ALA 165.A N GLU 193.A OE1 no hydrogen 2.620 N/A GLU 167.A N ASP 164.A OD2 no hydrogen 2.817 N/A ALA 168.A N ASP 164.A O no hydrogen 3.210 N/A ILE 169.A N ALA 165.A O no hydrogen 2.718 N/A ALA 170.A N LYS 166.A O no hydrogen 3.095 N/A PHE 171.A N GLU 167.A O no hydrogen 2.989 N/A ALA 172.A N ALA 168.A O no hydrogen 2.909 N/A ASP 173.A N ILE 169.A O no hydrogen 2.845 N/A ALA 174.A N ALA 170.A O no hydrogen 3.081 N/A ALA 174.A N PHE 171.A O no hydrogen 3.106 N/A VAL 175.A N PHE 171.A O no hydrogen 3.170 N/A ASP 176.A N ALA 172.A O no hydrogen 2.971 N/A SER 177.A OG GLU 143.A OE1 no hydrogen 2.655 N/A ALA 179.A N SER 177.A OG no hydrogen 2.997 N/A CYS 180.A N SER 177.A O no hydrogen 3.329 N/A LYS 181.A N TYR 149.A O no hydrogen 3.013 N/A LYS 181.A NZ GLY 205.A O no hydrogen 3.245 N/A VAL 182.A N LYS 206.A O no hydrogen 2.648 N/A GLN 183.A N LEU 151.A O no hydrogen 2.777 N/A THR 186.A N HIS 211.A O no hydrogen 3.112 N/A THR 186.A OG1 GLY 213.A O no hydrogen 2.495 N/A PHE 187.A N ASP 185.A OD1 no hydrogen 2.647 N/A MET 189.A N ASP 185.A O no hydrogen 2.690 N/A ASN 190.A N THR 186.A O no hydrogen 2.905 N/A ILE 191.A N HIS 188.A O no hydrogen 3.241 N/A GLU 192.A N HIS 188.A O no hydrogen 3.106 N/A GLU 193.A N MET 189.A O no hydrogen 2.876 N/A ARG 197.A N GLU 229.A OE2 no hydrogen 2.943 N/A ASP 198.A N SER 195.A OG no hydrogen 3.088 N/A ALA 199.A N SER 195.A O no hydrogen 3.081 N/A ILE 200.A N PHE 196.A O no hydrogen 2.898 N/A LEU 201.A N ARG 197.A O no hydrogen 2.780 N/A ALA 202.A N ASP 198.A O no hydrogen 3.002 N/A CYS 203.A N ILE 200.A O no hydrogen 3.093 N/A CYS 203.A SG ALA 199.A O no hydrogen 3.397 N/A LYS 204.A N LEU 201.A O no hydrogen 3.112 N/A LYS 206.A N CYS 203.A O no hydrogen 2.877 N/A LYS 206.A NZ ASP 173.A OD1 no hydrogen 2.863 N/A LYS 206.A NZ ASP 173.A OD2 no hydrogen 3.206 N/A GLY 208.A N VAL 182.A O no hydrogen 2.562 N/A HIS 209.A ND1 THR 242.A OG1 no hydrogen 2.761 N/A HIS 209.A NE2 GLU 35.A OE1 no hydrogen 2.798 N/A PHE 210.A N THR 242.A O no hydrogen 3.301 N/A HIS 211.A N LEU 184.A O no hydrogen 3.027 N/A HIS 211.A NE2 GLU 35.A OE1 no hydrogen 2.670 N/A LEU 212.A N VAL 244.A O no hydrogen 2.750 N/A GLY 213.A N THR 186.A OG1 no hydrogen 2.736 N/A GLU 214.A N LEU 218.A O no hydrogen 2.963 N/A ARG 217.A N GLU 214.A O no hydrogen 2.921 N/A GLY 221.A N GLU 214.A OE2 no hydrogen 2.754 N/A GLU 222.A N PRO 219.A O no hydrogen 3.197 N/A GLY 223.A N GLU 214.A OE2 no hydrogen 2.631 N/A LEU 225.A N GLU 214.A OE1 no hydrogen 3.190 N/A TRP 227.A N LEU 225.A O no hydrogen 2.849 N/A TRP 227.A NE1 GLU 214.A OE2 no hydrogen 2.989 N/A ILE 230.A N PRO 226.A O no hydrogen 2.937 N/A PHE 231.A N TRP 227.A O no hydrogen 2.761 N/A GLY 232.A N ASP 228.A O no hydrogen 2.720 N/A ALA 233.A N GLU 229.A O no hydrogen 2.869 N/A LEU 234.A N ILE 230.A O no hydrogen 3.155 N/A LYS 235.A N PHE 231.A O no hydrogen 3.062 N/A LYS 235.A NZ LYS 288.A O no hydrogen 2.579 N/A GLU 236.A N GLY 232.A O no hydrogen 2.985 N/A ILE 237.A N ALA 233.A O no hydrogen 2.987 N/A GLY 238.A N LYS 235.A O no hydrogen 2.949 N/A TYR 239.A N LEU 234.A O no hydrogen 2.969 N/A TYR 239.A OH THR 242.A O no hydrogen 2.711 N/A THR 242.A OG1 HIS 209.A ND1 no hydrogen 2.761 N/A ILE 243.A N LYS 3.A O no hydrogen 2.940 N/A VAL 244.A N PHE 210.A O no hydrogen 2.895 N/A MET 245.A N GLY 5.A O no hydrogen 2.909 N/A GLU 246.A N LEU 212.A O no hydrogen 2.825 N/A PHE 248.A N ARG 217.A O no hydrogen 2.961 N/A ARG 250.A NH1 TRP 11.A O no hydrogen 2.885 N/A ARG 250.A NH1 ASP 271.A OD2 no hydrogen 2.856 N/A ARG 250.A NH2 ALA 269.A O no hydrogen 3.027 N/A ARG 250.A NH2 ASP 271.A OD2 no hydrogen 2.923 N/A GLY 253.A N SER 256.A OG no hydrogen 3.008 N/A SER 254.A N GLU 14.A OE1 no hydrogen 3.410 N/A SER 254.A N GLU 14.A OE2 no hydrogen 3.207 N/A SER 254.A OG GLU 14.A OE1 no hydrogen 2.730 N/A VAL 255.A N THR 13.A O no hydrogen 2.827 N/A SER 256.A OG ARG 250.A O no hydrogen 2.700 N/A ARG 257.A N GLY 253.A O no hydrogen 2.921 N/A ALA 258.A N SER 254.A O no hydrogen 3.167 N/A VAL 259.A N VAL 255.A O no hydrogen 3.029 N/A GLY 260.A N ARG 257.A O no hydrogen 3.359 N/A VAL 261.A N SER 256.A O no hydrogen 2.899 N/A MET 265.A N MET 249.A O no hydrogen 2.895 N/A SER 266.A N ASP 264.A OD1 no hydrogen 3.301 N/A SER 266.A OG ASP 264.A OD1 no hydrogen 2.615 N/A SER 266.A OG ASP 264.A OD2 no hydrogen 3.463 N/A GLY 268.A N ASP 264.A OD2 no hydrogen 2.696 N/A ALA 269.A N SER 266.A O no hydrogen 3.011 N/A THR 270.A N GLU 273.A OE1 no hydrogen 3.134 N/A GLU 273.A N THR 270.A OG1 no hydrogen 3.105 N/A MET 274.A N THR 270.A O no hydrogen 2.889 N/A ASP 275.A N ASP 271.A O no hydrogen 2.772 N/A GLU 276.A N GLU 272.A O no hydrogen 3.049 N/A ARG 277.A N GLU 273.A O no hydrogen 2.978 N/A ARG 277.A NE GLU 222.A OE2 no hydrogen 3.226 N/A ARG 277.A NH1 SER 266.A O no hydrogen 3.079 N/A ARG 277.A NH2 GLU 222.A OE1 no hydrogen 2.669 N/A ALA 278.A N MET 274.A O no hydrogen 2.873 N/A ARG 279.A N ASP 275.A O no hydrogen 2.799 N/A ARG 279.A NH1 GLU 276.A OE1 no hydrogen 2.950 N/A ARG 280.A N GLU 276.A O no hydrogen 2.887 N/A ARG 280.A NE GLU 276.A OE2 no hydrogen 3.346 N/A SER 281.A N ARG 277.A O no hydrogen 2.990 N/A SER 281.A OG PRO 220.A O no hydrogen 2.910 N/A LEU 282.A N ALA 278.A O no hydrogen 2.838 N/A GLN 283.A N ARG 279.A O no hydrogen 2.946 N/A PHE 284.A N ARG 280.A O no hydrogen 2.808 N/A VAL 285.A N SER 281.A O no hydrogen 2.833 N/A ARG 286.A N LEU 282.A O no hydrogen 2.771 N/A ARG 286.A NH1 ASP 32.A OD2 no hydrogen 3.202 N/A ARG 286.A NH2 GLY 30.A O no hydrogen 2.746 N/A ARG 286.A NH2 ASP 32.A OD1 no hydrogen 3.082 N/A ARG 286.A NH2 ASP 32.A OD2 no hydrogen 3.191 N/A ASP 287.A N GLN 283.A O no hydrogen 2.903 N/A LYS 288.A N PHE 284.A O no hydrogen 3.111 N/A LYS 288.A NZ ASP 228.A OD1 no hydrogen 2.663 N/A LEU 289.A N VAL 285.A O no hydrogen 2.957 N/A ALA 290.A N ARG 286.A O no hydrogen 2.963 N/A ALA 290.A N ASP 287.A O no hydrogen 3.109 N/A