Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N TYR 44.A OH no hydrogen 2.965 N/A ALA 8.A N SER 5.A OG no hydrogen 3.080 N/A THR 9.A N SER 5.A O no hydrogen 2.977 N/A THR 9.A OG1 SER 5.A O no hydrogen 3.090 N/A THR 9.A OG1 TYR 44.A OH no hydrogen 2.874 N/A ARG 10.A N.A ILE 6.A O no hydrogen 2.750 N/A ARG 10.A N.B ILE 6.A O no hydrogen 2.736 N/A ASN 11.A N GLU 7.A O no hydrogen 2.970 N/A LEU 12.A N THR 9.A O no hydrogen 3.029 N/A ALA 13.A N GLU 16.A OE1 no hydrogen 3.014 N/A GLU 16.A N ALA 13.A O no hydrogen 2.814 N/A ARG 17.A N THR 14.A O no hydrogen 3.369 N/A ARG 17.A NH2 THR 9.A O no hydrogen 3.396 N/A CYS 18.A N GLU 77.A OE2 no hydrogen 2.952 N/A ILE 19.A N GLU 77.A OE1 no hydrogen 2.842 N/A GLN 20.A N GLN 35.A O no hydrogen 3.149 N/A GLN 20.A NE2 THR 14.A O no hydrogen 2.906 N/A GLN 20.A NE2 ARG 17.A O no hydrogen 2.868 N/A ILE 22.A N GLN 33.A O no hydrogen 2.853 N/A ARG 23.A N ASP 21.A OD1 no hydrogen 3.119 N/A ARG 23.A NE ASP 21.A OD1 no hydrogen 2.987 N/A ARG 23.A NH1 ASP 85.A OD2 no hydrogen 3.477 N/A ARG 23.A NH2 ASP 21.A OD2 no hydrogen 2.955 N/A ALA 25.A N ILE 22.A O no hydrogen 2.853 N/A ARG 30.A N VAL 27.A O no hydrogen 2.784 N/A GLN 35.A N GLN 20.A O no hydrogen 2.926 N/A ALA 37.A N CYS 18.A O no hydrogen 2.863 N/A GLN 38.A NE2 ASP 99.A OD2 no hydrogen 3.389 N/A ASN 40.A ND2 THR 15.A O no hydrogen 3.150 N/A ASN 40.A ND2 ARG 17.A O no hydrogen 3.026 N/A MET 41.A N ALA 37.A O no hydrogen 2.785 N/A LEU 42.A N GLN 38.A O no hydrogen 2.995 N/A ALA 43.A N GLN 39.A O no hydrogen 3.111 N/A TYR 44.A N ASN 40.A O no hydrogen 2.921 N/A TYR 44.A OH SER 5.A O no hydrogen 3.028 N/A TYR 44.A OH THR 9.A OG1 no hydrogen 2.874 N/A THR 45.A N MET 41.A O no hydrogen 3.064 N/A THR 45.A OG1 MET 41.A O no hydrogen 3.270 N/A THR 45.A OG1 ASN 73.A OD1 no hydrogen 3.146 N/A PHE 46.A N LEU 42.A O no hydrogen 2.824 N/A VAL 49.A N PHE 46.A O no hydrogen 3.242 N/A PHE 53.A N ILE 50.A O no hydrogen 3.042 N/A ALA 54.A N ASN 59.A OD1 no hydrogen 3.049 N/A ILE 58.A N SER 55.A O no hydrogen 2.988 N/A ILE 58.A N SER 55.A OG no hydrogen 3.333 N/A ASN 59.A N SER 55.A O no hydrogen 2.896 N/A ASN 59.A ND2 ALA 54.A O no hydrogen 2.807 N/A GLY 60.A N ALA 56.A O no hydrogen 3.187 N/A MET 61.A N ILE 58.A O no hydrogen 3.346 N/A TYR 63.A N PRO 316.A O no hydrogen 2.745 N/A TYR 63.A OH SER 105.A OG no hydrogen 2.862 N/A ARG 64.A N.A ASP 62.A OD1 no hydrogen 2.954 N/A ARG 64.A N.B ASP 62.A OD1 no hydrogen 2.934 N/A ASP 65.A N ASP 62.A O no hydrogen 3.003 N/A VAL 66.A N ASP 62.A O no hydrogen 3.304 N/A VAL 66.A N TYR 63.A O no hydrogen 3.011 N/A ILE 67.A N TYR 63.A O no hydrogen 2.958 N/A GLY 68.A N ARG 64.A O.A no hydrogen 2.917 N/A GLY 68.A N ARG 64.A O.B no hydrogen 3.154 N/A ARG 69.A N VAL 66.A O no hydrogen 3.386 N/A ARG 69.A NH1 PHE 2.A O no hydrogen 2.912 N/A GLU 72.A N GLY 68.A O no hydrogen 3.123 N/A ASN 73.A N ARG 69.A O no hydrogen 2.747 N/A ALA 74.A N PRO 70.A O no hydrogen 2.900 N/A VAL 75.A N VAL 71.A O no hydrogen 2.931 N/A THR 76.A N GLU 72.A O no hydrogen 3.118 N/A THR 76.A OG1 GLU 72.A O no hydrogen 2.771 N/A GLU 77.A N ASN 73.A O no hydrogen 2.931 N/A GLY 78.A N ALA 74.A O no hydrogen 2.802 N/A THR 79.A N VAL 75.A O no hydrogen 2.912 N/A THR 79.A OG1 VAL 75.A O no hydrogen 2.845 N/A HIS 80.A N THR 76.A O no hydrogen 3.030 N/A PHE 81.A N.A GLU 77.A O no hydrogen 3.141 N/A PHE 81.A N.B GLU 77.A O no hydrogen 3.121 N/A PHE 82.A N GLY 78.A O no hydrogen 2.920 N/A ARG 83.A N THR 79.A O no hydrogen 2.807 N/A ASP 85.A N PHE 82.A O no hydrogen 3.185 N/A PHE 86.A N ARG 83.A O no hydrogen 3.241 N/A ASN 91.A N ASP 89.A OD1 no hydrogen 2.792 N/A ALA 92.A N ASP 89.A O no hydrogen 3.117 N/A LYS 93.A N ASP 89.A O no hydrogen 3.493 N/A ALA 94.A N SER 90.A O no hydrogen 2.884 N/A LYS 95.A N ASN 91.A O no hydrogen 3.260 N/A LYS 95.A NZ GLN 38.A OE1 no hydrogen 2.941 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 3.018 N/A VAL 96.A N ALA 92.A O no hydrogen 3.255 N/A ALA 97.A N LYS 93.A O no hydrogen 3.044 N/A GLY 98.A N ALA 94.A O no hydrogen 3.063 N/A ASP 99.A N LYS 95.A O no hydrogen 3.122 N/A ILE 100.A N VAL 96.A O no hydrogen 2.846 N/A PHE 101.A N ALA 97.A O no hydrogen 2.987 N/A GLU 102.A N GLY 98.A O no hydrogen 3.126 N/A ILE 103.A N ASP 99.A O no hydrogen 2.897 N/A VAL 104.A N ILE 100.A O no hydrogen 2.969 N/A SER 105.A N PHE 101.A O no hydrogen 3.089 N/A SER 105.A OG TYR 63.A OH no hydrogen 2.862 N/A SER 105.A OG PHE 101.A O no hydrogen 2.990 N/A SER 106.A N GLU 102.A O no hydrogen 2.961 N/A SER 106.A OG GLU 102.A O no hydrogen 2.841 N/A ALA 107.A N ILE 103.A O no hydrogen 2.848 N/A VAL 108.A N VAL 104.A O no hydrogen 3.030 N/A MET 109.A N SER 105.A O no hydrogen 3.028 N/A TRP 110.A N ALA 107.A O no hydrogen 2.982 N/A ASN 111.A N ALA 107.A O no hydrogen 3.142 N/A ASN 111.A ND2 ILE 207.A O no hydrogen 3.289 N/A CYS 112.A N VAL 108.A O no hydrogen 3.095 N/A CYS 112.A SG VAL 108.A O no hydrogen 3.328 N/A CYS 112.A SG ALA 322.A O no hydrogen 3.931 N/A ALA 113.A N MET 109.A O no hydrogen 2.977 N/A ALA 114.A N TRP 110.A O no hydrogen 2.912 N/A ARG 115.A N ASN 111.A O no hydrogen 3.045 N/A ARG 115.A NE GLU 206.A OE2 no hydrogen 2.769 N/A ARG 115.A NH1 GLN 128.A O no hydrogen 3.428 N/A ARG 115.A NH1 PRO 129.A O no hydrogen 2.961 N/A ARG 115.A NH2 GLN 128.A O no hydrogen 2.941 N/A ARG 115.A NH2 GLU 206.A OE1 no hydrogen 2.810 N/A ARG 115.A NH2 GLU 206.A OE2 no hydrogen 3.365 N/A TRP 116.A N CYS 112.A O no hydrogen 2.773 N/A TRP 116.A NE1 ARG 142.A O no hydrogen 2.647 N/A ASN 117.A N ALA 113.A O no hydrogen 2.829 N/A ASN 117.A ND2 VAL 144.A O no hydrogen 3.019 N/A ASN 117.A ND2 TRP 203.A O no hydrogen 2.717 N/A SER 118.A N ALA 114.A O no hydrogen 2.888 N/A SER 118.A OG GLU 123.A OE2 no hydrogen 3.127 N/A LEU 119.A N ARG 115.A O no hydrogen 3.349 N/A LEU 119.A N TRP 116.A O no hydrogen 2.862 N/A MET 120.A N TRP 116.A O no hydrogen 2.937 N/A VAL 121.A N ASN 117.A O no hydrogen 3.167 N/A GLY 122.A N LEU 119.A O no hydrogen 3.202 N/A GLU 123.A N SER 118.A O no hydrogen 2.876 N/A TRP 125.A NE1 TYR 131.A O no hydrogen 2.829 N/A ARG 126.A NH1 ARG 204.A O no hydrogen 3.044 N/A ARG 126.A NH1 GLU 206.A OE2 no hydrogen 3.061 N/A ARG 126.A NH2 ARG 204.A O no hydrogen 2.973 N/A TYR 131.A OH GLY 52.A O no hydrogen 2.569 N/A SER 132.A OG ARG 133.A O no hydrogen 3.475 N/A THR 135.A N ASN 330.A OD1 no hydrogen 2.692 N/A LEU 136.A N ASN 330.A OD1 no hydrogen 3.375 N/A ARG 141.A N SER 139.A OG no hydrogen 3.246 N/A ARG 142.A N SER 139.A O no hydrogen 2.843 N/A ARG 142.A NE MET 333.A O no hydrogen 3.156 N/A ARG 142.A NE VAL 336.A O no hydrogen 2.851 N/A ARG 142.A NH1 SER 137.A O no hydrogen 2.839 N/A ARG 142.A NH2 VAL 336.A O no hydrogen 2.956 N/A GLN 143.A N PRO 140.A O no hydrogen 3.408 N/A GLN 143.A NE2 PRO 140.A O no hydrogen 2.775 N/A GLN 143.A NE2 GLN 198.A O no hydrogen 3.113 N/A VAL 144.A N ASN 117.A OD1 no hydrogen 3.006 N/A ALA 145.A N VAL 191.A O no hydrogen 2.690 N/A LEU 147.A N ALA 189.A O no hydrogen 2.919 N/A LEU 149.A N ASP 187.A O no hydrogen 2.817 N/A ARG 151.A NH1 ASP 99.A OD1 no hydrogen 2.938 N/A ARG 151.A NH1 ASP 99.A OD2 no hydrogen 3.138 N/A TRP 155.A N SER 184.A O no hydrogen 2.902 N/A TRP 155.A NE1 GLU 255.A OE1 no hydrogen 3.007 N/A VAL 156.A N ASP 154.A OD1 no hydrogen 2.920 N/A SER 157.A N ASP 154.A O no hydrogen 3.021 N/A SER 157.A OG ASP 154.A O no hydrogen 2.922 N/A LEU 158.A N TRP 155.A O no hydrogen 3.035 N/A LEU 159.A N VAL 156.A O no hydrogen 3.068 N/A VAL 160.A N VAL 229.A O no hydrogen 2.941 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.827 N/A SER 163.A N VAL 160.A O no hydrogen 3.070 N/A GLN 164.A N VAL 160.A O no hydrogen 3.164 N/A GLN 164.A NE2 LEU 159.A O no hydrogen 2.848 N/A GLU 165.A N PRO 161.A O no hydrogen 2.903 N/A VAL 166.A N GLU 162.A O no hydrogen 3.235 N/A ILE 167.A N SER 163.A O no hydrogen 3.287 N/A GLU 168.A N GLN 164.A O no hydrogen 2.999 N/A GLU 169.A N GLU 165.A O no hydrogen 3.050 N/A PHE 170.A N VAL 166.A O no hydrogen 3.136 N/A ARG 171.A N ILE 167.A O no hydrogen 3.003 N/A ARG 171.A NE LEU 181.A O no hydrogen 2.898 N/A ARG 171.A NH2 LEU 181.A O no hydrogen 2.895 N/A ARG 171.A NH2 THR 183.A OG1 no hydrogen 2.730 N/A ALA 172.A N GLU 168.A O no hydrogen 2.844 N/A GLY 173.A N GLU 169.A O no hydrogen 3.016 N/A LEU 174.A N PHE 170.A O no hydrogen 3.138 N/A ARG 175.A N ARG 171.A O no hydrogen 2.859 N/A LYS 176.A N GLY 173.A O no hydrogen 3.156 N/A GLY 178.A N ARG 175.A O no hydrogen 2.793 N/A LEU 179.A N LEU 174.A O no hydrogen 3.010 N/A THR 183.A OG1 ASP 154.A OD1 no hydrogen 2.860 N/A THR 183.A OG1 ASP 154.A OD2 no hydrogen 2.955 N/A SER 184.A N GLU 255.A OE1 no hydrogen 2.990 N/A SER 184.A OG GLU 255.A OE2 no hydrogen 3.101 N/A THR 185.A N SER 184.A OG no hydrogen 2.556 N/A THR 185.A OG1 PRO 186.A O no hydrogen 2.816 N/A ASP 187.A N VAL 238.A O no hydrogen 2.881 N/A LEU 188.A N VAL 238.A O no hydrogen 3.219 N/A ALA 189.A N LEU 147.A O no hydrogen 3.000 N/A VAL 190.A N LEU 236.A O no hydrogen 2.870 N/A VAL 191.A N ALA 145.A O no hydrogen 2.983 N/A VAL 192.A N GLU 233.A O no hydrogen 2.944 N/A LEU 193.A N GLN 143.A O no hydrogen 2.901 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.780 N/A PHE 197.A N PRO 194.A O no hydrogen 2.774 N/A GLN 198.A N GLU 195.A O no hydrogen 2.933 N/A GLN 198.A NE2 LEU 193.A O no hydrogen 2.763 N/A ASP 200.A N PHE 197.A O no hydrogen 2.892 N/A TRP 203.A N ASP 200.A O no hydrogen 3.416 N/A ARG 204.A N GLU 201.A O no hydrogen 2.943 N/A ARG 204.A NH2 GLU 123.A OE1 no hydrogen 3.271 N/A ILE 207.A N ASN 111.A OD1 no hydrogen 3.029 N/A LEU 210.A N PHE 46.A O no hydrogen 2.886 N/A ARG 212.A NH2 GLN 215.A OE1 no hydrogen 3.365 N/A GLN 215.A N THR 211.A O no hydrogen 2.819 N/A GLN 215.A NE2 GLN 39.A O no hydrogen 3.181 N/A GLN 215.A NE2 LEU 210.A O no hydrogen 2.785 N/A ILE 216.A N ARG 212.A O no hydrogen 3.045 N/A LEU 217.A N PRO 213.A O no hydrogen 3.090 N/A LEU 218.A N ASN 214.A O no hydrogen 2.960 N/A SER 219.A N GLN 215.A O no hydrogen 2.877 N/A SER 219.A OG GLN 215.A O no hydrogen 3.130 N/A SER 219.A OG ILE 216.A O no hydrogen 3.336 N/A GLY 220.A N ILE 216.A O no hydrogen 2.800 N/A ALA 221.A N LEU 218.A O no hydrogen 3.457 N/A GLN 223.A N GLY 220.A O no hydrogen 2.950 N/A ARG 224.A N ALA 221.A O no hydrogen 3.060 N/A LEU 225.A N TYR 222.A O no hydrogen 3.083 N/A GLN 226.A NE2 SER 157.A OG no hydrogen 3.114 N/A GLY 227.A N SER 157.A O no hydrogen 3.050 N/A ARG 228.A N LEU 225.A O no hydrogen 2.979 N/A ARG 228.A NH1 GLU 196.A OE2 no hydrogen 2.950 N/A VAL 229.A N LEU 158.A O no hydrogen 3.062 N/A GLN 230.A N GLU 233.A OE1 no hydrogen 2.819 N/A GLU 233.A N GLN 230.A O no hydrogen 2.774 N/A SER 235.A N VAL 190.A O no hydrogen 2.759 N/A LEU 236.A N VAL 190.A O no hydrogen 3.400 N/A ALA 237.A N GLU 273.A O no hydrogen 2.901 N/A VAL 238.A N LEU 188.A O no hydrogen 2.989 N/A ALA 239.A N GLU 275.A O no hydrogen 2.999 N/A PHE 240.A N ASP 187.A OD2 no hydrogen 2.832 N/A LYS 241.A N HIS 277.A O no hydrogen 2.974 N/A LYS 241.A NZ ARG 248.A O no hydrogen 2.845 N/A LEU 244.A N ALA 280.A O no hydrogen 3.009 N/A ARG 245.A NH1 LEU 244.A O no hydrogen 2.893 N/A ARG 248.A N ARG 245.A O no hydrogen 2.856 N/A ARG 248.A NH1 SER 243.A O no hydrogen 3.018 N/A ARG 248.A NH2 SER 243.A O no hydrogen 3.341 N/A ARG 248.A NH2 SER 243.A OG no hydrogen 3.018 N/A GLN 251.A NE2 THR 185.A O no hydrogen 3.044 N/A TYR 254.A N TYR 250.A O no hydrogen 2.883 N/A GLU 255.A N GLN 251.A O no hydrogen 2.968 N/A ALA 256.A N PRO 252.A O no hydrogen 2.914 N/A ASN 257.A N LEU 253.A O no hydrogen 3.261 N/A ASN 257.A ND2 LEU 253.A O no hydrogen 2.711 N/A VAL 258.A N TYR 254.A O no hydrogen 3.058 N/A VAL 258.A N GLU 255.A O no hydrogen 3.014 N/A MET 259.A N GLU 255.A O no hydrogen 2.898 N/A GLN 260.A N ALA 256.A O no hydrogen 2.963 N/A GLN 260.A NE2 VAL 272.A O no hydrogen 3.356 N/A GLN 260.A NE2 ARG 307.A O no hydrogen 3.461 N/A GLN 260.A NE2 ALA 308.A O no hydrogen 3.324 N/A LEU 261.A N ASN 257.A O no hydrogen 3.021 N/A LEU 262.A N VAL 258.A O no hydrogen 2.970 N/A LEU 263.A N MET 259.A O no hydrogen 2.804 N/A GLU 264.A N GLN 260.A O no hydrogen 2.991 N/A GLY 265.A N GLN 260.A O no hydrogen 3.372 N/A LYS 266.A N LEU 262.A O no hydrogen 3.102 N/A ALA 269.A N LEU 263.A O no hydrogen 2.876 N/A VAL 272.A N GLU 264.A OE2 no hydrogen 2.874 N/A GLU 275.A N ALA 237.A O no hydrogen 2.960 N/A VAL 276.A N GLU 311.A O no hydrogen 3.139 N/A HIS 277.A N ALA 239.A O no hydrogen 2.809 N/A HIS 277.A NE2 GLU 275.A OE2 no hydrogen 2.830 N/A THR 278.A N TYR 313.A O no hydrogen 3.043 N/A THR 278.A OG1 LYS 241.A O no hydrogen 2.440 N/A THR 278.A OG1 ARG 242.A O no hydrogen 2.871 N/A LEU 279.A N ARG 242.A O no hydrogen 2.951 N/A ALA 280.A N THR 278.A OG1 no hydrogen 3.262 N/A PHE 287.A N THR 284.A O no hydrogen 3.207 N/A THR 289.A N ASN 285.A O no hydrogen 2.859 N/A THR 289.A OG1 ASN 285.A O no hydrogen 3.149 N/A TYR 290.A N ALA 286.A O no hydrogen 3.157 N/A TYR 290.A OH LEU 249.A O no hydrogen 2.678 N/A GLU 291.A N VAL 288.A O no hydrogen 3.100 N/A SER 294.A N HIS 306.A O no hydrogen 2.954 N/A SER 294.A OG GLN 260.A OE1 no hydrogen 2.555 N/A LEU 295.A N ASN 257.A OD1 no hydrogen 2.738 N/A LEU 298.A N LEU 295.A O no hydrogen 3.092 N/A ALA 299.A N TYR 296.A O no hydrogen 3.244 N/A ALA 308.A N ALA 292.A O no hydrogen 3.078 N/A ARG 310.A N PHE 274.A O no hydrogen 2.939 N/A ARG 310.A NE GLU 273.A OE2 no hydrogen 2.950 N/A ARG 310.A NH1 GLU 275.A OE1 no hydrogen 2.701 N/A TYR 313.A N VAL 276.A O no hydrogen 2.925 N/A TYR 313.A OH ASP 320.A OD2 no hydrogen 2.596 N/A ALA 319.A N ASN 59.A O no hydrogen 3.030 N/A ASP 320.A N THR 317.A O no hydrogen 3.084 N/A ASP 320.A N THR 317.A OG1 no hydrogen 3.036 N/A LEU 321.A N THR 317.A O no hydrogen 3.230 N/A ALA 322.A N ALA 318.A O no hydrogen 2.993 N/A ARG 323.A N ALA 319.A O no hydrogen 2.922 N/A ARG 323.A NH2 ASP 320.A OD1 no hydrogen 2.947 N/A ARG 324.A N ASP 320.A O no hydrogen 2.876 N/A ARG 324.A NE GLU 275.A OE2 no hydrogen 3.135 N/A ARG 324.A NH1 GLU 311.A OE1 no hydrogen 2.914 N/A ARG 324.A NH1 GLU 311.A OE2 no hydrogen 3.518 N/A ARG 324.A NH2 GLU 275.A OE1 no hydrogen 2.845 N/A ARG 324.A NH2 GLU 311.A OE1 no hydrogen 2.741 N/A PHE 325.A N LEU 321.A O no hydrogen 2.865 N/A PHE 326.A N ALA 322.A O no hydrogen 2.999 N/A ALA 327.A N ARG 323.A O no hydrogen 3.172 N/A PHE 328.A N ARG 324.A O no hydrogen 2.841 N/A LEU 329.A N PHE 325.A O no hydrogen 2.819 N/A ASN 330.A N PHE 326.A O no hydrogen 2.816 N/A ASN 330.A ND2 THR 135.A OG1 no hydrogen 3.085 N/A GLU 331.A N ALA 327.A O no hydrogen 3.247 N/A GLU 331.A N PHE 328.A O no hydrogen 3.217 N/A ARG 332.A N PHE 328.A O no hydrogen 2.896 N/A ARG 332.A NH1 LYS 271.A O no hydrogen 3.133 N/A ARG 332.A NH2 GLY 232.A O no hydrogen 3.358 N/A MET 333.A N LEU 329.A O no hydrogen 3.148 N/A GLU 334.A N GLU 331.A O no hydrogen 3.271 N/A LEU 335.A N ARG 332.A O no hydrogen 3.337 N/A VAL 336.A N MET 333.A O no hydrogen 3.053 N/A