Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5q6n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PRO 3.A O no hydrogen 3.674 N/A LYS 6.A N PRO 3.A O no hydrogen 3.174 N/A LYS 6.A NZ ASP 16.A O no hydrogen 2.723 N/A LYS 7.A N PHE 4.A O no hydrogen 3.084 N/A ILE 8.A N PHE 13.A O no hydrogen 3.243 N/A THR 11.A N ILE 8.A O no hydrogen 3.355 N/A THR 11.A OG1 ILE 8.A O no hydrogen 2.673 N/A PHE 13.A N THR 11.A OG1 no hydrogen 2.962 N/A THR 14.A N ALA 28.A O no hydrogen 3.335 N/A VAL 15.A N LYS 6.A O no hydrogen 3.009 N/A ASP 16.A N PHE 30.A O no hydrogen 2.929 N/A VAL 23.A N TYR 29.A OH no hydrogen 3.069 N/A CYS 26.A N VAL 23.A O no hydrogen 3.171 N/A CYS 26.A SG GLY 12.A O no hydrogen 3.635 N/A CYS 26.A SG THR 14.A OG1 no hydrogen 3.460 N/A CYS 26.A SG ALA 28.A O no hydrogen 3.249 N/A THR 27.A N GLY 12.A O no hydrogen 2.932 N/A THR 27.A OG1 GLY 12.A O no hydrogen 3.299 N/A TYR 29.A N PRO 49.A O no hydrogen 3.117 N/A PHE 30.A N THR 14.A O no hydrogen 2.979 N/A LEU 31.A N TYR 51.A O no hydrogen 3.008 N/A THR 32.A N ASP 16.A OD1 no hydrogen 2.772 N/A THR 32.A OG1 ASP 16.A OD1 no hydrogen 3.437 N/A THR 32.A OG1 ASP 16.A OD2 no hydrogen 2.758 N/A THR 32.A OG1 HIS 33.A ND1 no hydrogen 2.930 N/A HIS 33.A ND1 THR 32.A OG1 no hydrogen 2.930 N/A HIS 35.A N HIS 33.A O no hydrogen 3.155 N/A HIS 35.A NE2 ILE 182.A O no hydrogen 2.926 N/A HIS 38.A N HIS 35.A O no hydrogen 2.830 N/A HIS 38.A ND1 ASP 16.A OD2 no hydrogen 2.903 N/A TYR 39.A N HIS 35.A O no hydrogen 3.012 N/A ALA 40.A N SER 36.A O no hydrogen 3.042 N/A LEU 42.A N TYR 39.A O no hydrogen 3.099 N/A HIS 45.A N SER 43.A OG no hydrogen 3.009 N/A PHE 46.A N SER 43.A O no hydrogen 3.038 N/A VAL 50.A N TYR 70.A O no hydrogen 2.963 N/A TYR 51.A N TYR 29.A O no hydrogen 2.970 N/A CYS 52.A N HIS 72.A O no hydrogen 3.407 N/A CYS 52.A SG SER 53.A O no hydrogen 3.460 N/A SER 53.A OG THR 56.A OG1 no hydrogen 3.097 N/A SER 53.A OG GLY 97.A O no hydrogen 2.770 N/A THR 56.A N SER 53.A OG no hydrogen 3.130 N/A THR 56.A OG1 SER 53.A OG no hydrogen 3.097 N/A THR 56.A OG1 GLY 97.A O no hydrogen 3.237 N/A GLY 57.A N SER 53.A O no hydrogen 2.921 N/A ASN 58.A N GLU 54.A O no hydrogen 2.902 N/A ASN 58.A ND2 CYS 211.A O no hydrogen 2.928 N/A LEU 59.A N ILE 55.A O no hydrogen 3.186 N/A LEU 60.A N THR 56.A O no hydrogen 2.932 N/A LYS 61.A N GLY 57.A O no hydrogen 3.091 N/A LYS 61.A NZ GLU 68.A OE2 no hydrogen 2.907 N/A ASN 62.A N ASN 58.A O no hydrogen 3.074 N/A ASN 62.A ND2 ASN 58.A O no hydrogen 3.024 N/A LYS 63.A N LEU 59.A O no hydrogen 2.863 N/A LYS 63.A NZ GLU 204.A O no hydrogen 3.311 N/A LYS 63.A NZ THR 208.A OG1 no hydrogen 2.983 N/A LEU 64.A N LEU 60.A O no hydrogen 3.339 N/A VAL 66.A N LEU 60.A O no hydrogen 3.083 N/A GLN 67.A NE2 LYS 44.A O no hydrogen 3.110 N/A TYR 70.A N GLN 67.A O no hydrogen 2.958 N/A ILE 71.A N GLU 68.A O no hydrogen 2.945 N/A HIS 72.A N VAL 50.A O no hydrogen 2.830 N/A LEU 74.A N CYS 52.A O no hydrogen 2.934 N/A ASP 77.A N LEU 89.A O no hydrogen 2.925 N/A THR 78.A OG1 LEU 76.A O no hydrogen 2.875 N/A CYS 80.A N VAL 87.A O no hydrogen 2.950 N/A CYS 80.A SG THR 78.A O no hydrogen 3.519 N/A VAL 82.A N VAL 85.A O no hydrogen 2.798 N/A VAL 85.A N VAL 82.A O no hydrogen 2.846 N/A LYS 86.A NZ GLU 79.A OE2 no hydrogen 3.417 N/A VAL 87.A N CYS 80.A O no hydrogen 2.857 N/A VAL 88.A N LEU 102.A O no hydrogen 3.023 N/A LEU 90.A N MET 100.A O no hydrogen 2.875 N/A ALA 92.A N ALA 98.A O no hydrogen 3.231 N/A ASN 93.A N ASP 91.A OD2 no hydrogen 2.978 N/A ASN 93.A ND2 ARG 118.A O no hydrogen 3.007 N/A HIS 94.A ND1 GLU 294.A O no hydrogen 2.740 N/A CYS 95.A SG HIS 35.A NE2 no hydrogen 3.763 N/A CYS 95.A SG PRO 96.A O no hydrogen 3.783 N/A ALA 98.A N CYS 95.A O no hydrogen 3.088 N/A VAL 99.A N THR 32.A O no hydrogen 2.991 N/A MET 100.A N LEU 90.A O no hydrogen 2.829 N/A ILE 101.A N HIS 113.A O no hydrogen 2.917 N/A LEU 102.A N VAL 88.A O no hydrogen 2.904 N/A PHE 103.A N ILE 111.A O no hydrogen 2.828 N/A TYR 104.A N LYS 86.A O no hydrogen 2.959 N/A TYR 104.A OH GLN 131.A OE1 no hydrogen 2.787 N/A LEU 105.A N THR 109.A O no hydrogen 2.843 N/A GLY 108.A N LEU 105.A O no hydrogen 3.023 N/A THR 109.A N ASN 107.A OD1 no hydrogen 2.987 N/A THR 109.A OG1 ASN 107.A OD1 no hydrogen 2.854 N/A VAL 110.A N HIS 134.A ND1 no hydrogen 3.046 N/A ILE 111.A N PHE 103.A O no hydrogen 2.951 N/A LEU 112.A N MET 135.A O no hydrogen 2.949 N/A HIS 113.A N ILE 101.A O no hydrogen 2.895 N/A THR 114.A N TYR 137.A O no hydrogen 2.955 N/A THR 114.A OG1 GLY 115.A O no hydrogen 2.954 N/A THR 114.A OG1 TYR 137.A O no hydrogen 3.392 N/A GLY 115.A N HIS 113.A ND1 no hydrogen 3.059 N/A PHE 117.A N ASP 139.A OD2 no hydrogen 3.029 N/A ARG 118.A N ALA 92.A O no hydrogen 3.236 N/A ARG 118.A NE GLU 300.A OE1 no hydrogen 2.872 N/A ARG 118.A NH1 SER 293.A O no hydrogen 2.975 N/A ARG 118.A NH2 PRO 150.A O no hydrogen 3.116 N/A ARG 118.A NH2 GLU 300.A OE1 no hydrogen 3.522 N/A ARG 118.A NH2 GLU 300.A OE2 no hydrogen 3.003 N/A ALA 119.A N SER 296.A OG no hydrogen 2.997 N/A SER 122.A N ASP 120.A OD2 no hydrogen 2.957 N/A SER 122.A OG ASP 120.A OD2 no hydrogen 2.705 N/A MET 123.A N ASP 120.A O no hydrogen 2.980 N/A GLU 124.A N PRO 121.A O no hydrogen 2.997 N/A ARG 125.A N SER 122.A O no hydrogen 3.215 N/A SER 126.A N MET 123.A O no hydrogen 3.418 N/A SER 126.A OG MET 123.A O no hydrogen 2.815 N/A LEU 128.A N SER 126.A OG no hydrogen 3.149 N/A ALA 129.A N SER 126.A O no hydrogen 3.148 N/A ASP 130.A N LEU 127.A O no hydrogen 3.452 N/A GLN 131.A NE2 LEU 127.A O no hydrogen 3.544 N/A GLN 131.A NE2 GLN 131.A O no hydrogen 3.021 N/A HIS 134.A N VAL 110.A O no hydrogen 2.901 N/A MET 135.A N VAL 110.A O no hydrogen 3.319 N/A LEU 136.A N LYS 312.A O no hydrogen 2.974 N/A TYR 137.A N LEU 112.A O no hydrogen 2.952 N/A TYR 137.A OH LYS 7.A O no hydrogen 3.226 N/A LEU 138.A N ILE 314.A O no hydrogen 2.960 N/A ASP 139.A N THR 114.A OG1 no hydrogen 2.956 N/A THR 140.A OG1 VAL 317.A O no hydrogen 2.742 N/A THR 141.A N ASP 139.A OD1 no hydrogen 3.044 N/A THR 141.A OG1 ASP 139.A OD1 no hydrogen 2.666 N/A CYS 143.A N THR 140.A O no hydrogen 3.204 N/A SER 144.A N TYR 142.A O no hydrogen 2.874 N/A SER 144.A OG GLU 146.A OE1 no hydrogen 2.349 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.832 N/A TYR 147.A N SER 144.A O no hydrogen 3.054 N/A SER 151.A N GLU 154.A OE2 no hydrogen 3.209 N/A SER 151.A OG GLU 154.A OE2 no hydrogen 3.342 N/A GLU 154.A N SER 151.A OG no hydrogen 3.099 N/A VAL 155.A N SER 151.A O no hydrogen 3.264 N/A ILE 156.A N GLN 152.A O no hydrogen 2.950 N/A ARG 157.A N GLN 153.A O no hydrogen 2.922 N/A PHE 158.A N GLU 154.A O no hydrogen 3.114 N/A ALA 159.A N VAL 155.A O no hydrogen 3.045 N/A ILE 160.A N ILE 156.A O no hydrogen 2.886 N/A ASN 161.A N ARG 157.A O no hydrogen 3.023 N/A THR 162.A N PHE 158.A O no hydrogen 2.978 N/A THR 162.A OG1 PHE 158.A O no hydrogen 2.796 N/A ALA 163.A N ALA 159.A O no hydrogen 2.980 N/A PHE 164.A N ILE 160.A O no hydrogen 2.883 N/A GLU 165.A N ASN 161.A O no hydrogen 2.962 N/A ALA 166.A N THR 162.A O no hydrogen 3.081 N/A VAL 167.A N ALA 163.A O no hydrogen 3.009 N/A THR 168.A N PHE 164.A O no hydrogen 3.035 N/A THR 168.A OG1 PHE 164.A O no hydrogen 2.850 N/A LEU 169.A N GLU 165.A O no hydrogen 2.980 N/A ASN 170.A N ALA 166.A O no hydrogen 2.924 N/A ALA 173.A N ASN 170.A O no hydrogen 2.843 N/A LEU 174.A N GLN 256.A O no hydrogen 2.859 N/A VAL 175.A N LEU 229.A O no hydrogen 3.150 N/A VAL 176.A N LEU 258.A O no hydrogen 2.922 N/A CYS 177.A N.A HIS 231.A O no hydrogen 2.917 N/A CYS 177.A N.B HIS 231.A O no hydrogen 2.909 N/A CYS 177.A SG.B GLY 178.A O no hydrogen 3.885 N/A GLY 178.A N PHE 260.A O no hydrogen 3.068 N/A THR 179.A N LEU 233.A O no hydrogen 3.022 N/A SER 181.A OG ILE 182.A O no hydrogen 3.336 N/A GLY 183.A N GLU 185.A OE2 no hydrogen 2.787 N/A LYS 184.A N GLU 294.A OE2 no hydrogen 2.853 N/A LYS 184.A NZ THR 263.A O no hydrogen 3.070 N/A LYS 184.A NZ TYR 292.A O no hydrogen 2.955 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.848 N/A VAL 187.A N LYS 184.A O no hydrogen 3.098 N/A LEU 189.A N GLU 185.A O no hydrogen 3.000 N/A ALA 190.A N LYS 186.A O no hydrogen 2.905 N/A ILE 191.A N VAL 187.A O no hydrogen 3.402 N/A ALA 192.A N PHE 188.A O no hydrogen 2.993 N/A ASP 193.A N LEU 189.A O no hydrogen 2.946 N/A VAL 194.A N ALA 190.A O no hydrogen 3.160 N/A LEU 195.A N ILE 191.A O no hydrogen 3.167 N/A LEU 195.A N ALA 192.A O no hydrogen 3.191 N/A GLY 196.A N ASP 193.A O no hydrogen 3.374 N/A SER 197.A N ALA 192.A O no hydrogen 3.055 N/A SER 197.A OG LYS 198.A O no hydrogen 2.760 N/A LYS 198.A NZ ASN 218.A O no hydrogen 3.230 N/A VAL 199.A N LEU 220.A O no hydrogen 2.840 N/A GLY 200.A N SER 228.A OG no hydrogen 3.012 N/A GLY 200.A N VAL 230.A O no hydrogen 2.943 N/A MET 201.A N THR 222.A O no hydrogen 3.098 N/A LYS 205.A N SER 202.A OG no hydrogen 3.114 N/A LYS 205.A NZ SER 181.A O no hydrogen 3.422 N/A TYR 206.A N SER 202.A O no hydrogen 3.027 N/A LYS 207.A N GLN 203.A O no hydrogen 2.975 N/A LYS 207.A NZ ASN 62.A O no hydrogen 2.920 N/A THR 208.A N GLU 204.A O no hydrogen 3.162 N/A THR 208.A OG1 GLU 204.A O no hydrogen 3.214 N/A LEU 209.A N LYS 205.A O no hydrogen 2.940 N/A GLN 210.A N TYR 206.A O no hydrogen 2.951 N/A GLN 210.A NE2 ASN 218.A OD1 no hydrogen 3.274 N/A CYS 211.A N LYS 207.A O no hydrogen 3.251 N/A CYS 211.A N THR 208.A O no hydrogen 3.096 N/A CYS 211.A SG ASN 58.A O no hydrogen 3.952 N/A CYS 211.A SG LYS 207.A O no hydrogen 3.506 N/A LEU 212.A N LEU 209.A O no hydrogen 3.092 N/A SER 219.A OG GLU 216.A O no hydrogen 2.051 N/A LEU 220.A N ILE 217.A O no hydrogen 2.763 N/A ILE 221.A N ILE 217.A O no hydrogen 3.289 N/A THR 222.A N VAL 199.A O no hydrogen 2.938 N/A ASP 224.A N THR 222.A OG1 no hydrogen 3.119 N/A SER 227.A N ASP 224.A O no hydrogen 3.242 N/A SER 227.A OG ASP 224.A O no hydrogen 3.414 N/A SER 228.A N MET 225.A O no hydrogen 3.145 N/A SER 228.A OG LYS 198.A O no hydrogen 2.939 N/A LEU 229.A N SER 197.A OG no hydrogen 3.016 N/A VAL 230.A N SER 228.A OG no hydrogen 3.211 N/A HIS 231.A N VAL 175.A O no hydrogen 2.971 N/A HIS 231.A ND1 HIS 246.A NE2 no hydrogen 3.088 N/A HIS 231.A NE2 MET 225.A O no hydrogen 3.122 N/A HIS 231.A NE2 SER 228.A O no hydrogen 3.045 N/A LEU 232.A N GLY 200.A O no hydrogen 2.881 N/A LEU 233.A N CYS 177.A O.A no hydrogen 3.127 N/A LEU 233.A N CYS 177.A O.B no hydrogen 3.007 N/A MET 235.A N THR 179.A O no hydrogen 3.054 N/A GLN 237.A N PRO 234.A O no hydrogen 3.011 N/A GLN 237.A NE2 GLY 242.A O no hydrogen 3.006 N/A ILE 238.A N MET 235.A O no hydrogen 3.039 N/A ASN 239.A N GLN 237.A O no hydrogen 2.891 N/A GLY 242.A N ASN 239.A OD1 no hydrogen 2.666 N/A LEU 243.A N ASN 239.A O no hydrogen 3.016 N/A GLN 244.A N PHE 240.A O no hydrogen 2.982 N/A SER 245.A N LYS 241.A O no hydrogen 3.088 N/A HIS 246.A N GLY 242.A O no hydrogen 3.008 N/A HIS 246.A NE2 HIS 231.A ND1 no hydrogen 3.088 N/A LEU 247.A N LEU 243.A O no hydrogen 2.922 N/A LYS 248.A N GLN 244.A O no hydrogen 3.067 N/A LYS 249.A N SER 245.A O no hydrogen 3.299 N/A LYS 249.A NZ SER 245.A OG no hydrogen 3.245 N/A CYS 250.A N LEU 247.A O no hydrogen 3.131 N/A CYS 250.A SG HIS 246.A NE2 no hydrogen 3.926 N/A CYS 250.A SG HIS 246.A O no hydrogen 3.625 N/A GLY 251.A N LYS 248.A O no hydrogen 3.342 N/A LYS 253.A N CYS 250.A O no hydrogen 3.199 N/A LYS 253.A NZ CYS 226.A O no hydrogen 3.487 N/A ASN 255.A N HIS 172.A O no hydrogen 3.127 N/A ILE 257.A N ASN 284.A O no hydrogen 3.020 N/A LEU 258.A N LEU 174.A O no hydrogen 2.998 N/A ALA 259.A N SER 286.A O no hydrogen 2.855 N/A PHE 260.A N VAL 176.A O no hydrogen 2.854 N/A ARG 261.A N TYR 288.A O no hydrogen 2.873 N/A THR 263.A N ILE 290.A O no hydrogen 2.998 N/A THR 263.A OG1 ILE 290.A O no hydrogen 3.545 N/A SER 268.A OG THR 266.A O no hydrogen 3.450 N/A ASN 269.A N THR 266.A O no hydrogen 2.823 N/A ASN 269.A ND2 THR 266.A O no hydrogen 3.262 N/A THR 272.A N SER 268.A O no hydrogen 3.043 N/A ASP 276.A N ARG 273.A O no hydrogen 3.077 N/A VAL 277.A N ILE 274.A O no hydrogen 3.122 N/A GLN 280.A N ILE 287.A O no hydrogen 2.963 N/A THR 281.A OG1 SER 286.A OG no hydrogen 2.911 N/A LYS 282.A N ILE 285.A O no hydrogen 2.925 N/A ASN 284.A ND2 ASN 255.A O no hydrogen 2.961 N/A ILE 285.A N LYS 282.A O no hydrogen 3.172 N/A SER 286.A N ILE 257.A O no hydrogen 3.000 N/A SER 286.A OG THR 281.A OG1 no hydrogen 2.911 N/A ILE 287.A N GLN 280.A O no hydrogen 2.793 N/A TYR 288.A N ALA 259.A O no hydrogen 2.828 N/A ILE 290.A N ARG 261.A O no hydrogen 3.044 N/A TYR 292.A N ILE 290.A O no hydrogen 2.964 N/A SER 293.A OG HIS 295.A O no hydrogen 2.796 N/A HIS 295.A N SER 293.A OG no hydrogen 2.989 N/A HIS 295.A ND1 ASP 139.A OD2 no hydrogen 2.796 N/A SER 296.A N PHE 117.A O no hydrogen 3.093 N/A SER 296.A OG PHE 117.A O no hydrogen 3.346 N/A SER 297.A N GLU 300.A OE1 no hydrogen 2.916 N/A TYR 298.A N TYR 147.A O no hydrogen 3.303 N/A GLU 300.A N SER 297.A OG no hydrogen 3.104 N/A MET 301.A N SER 297.A O no hydrogen 2.973 N/A LYS 302.A N TYR 298.A O no hydrogen 2.849 N/A LYS 302.A NZ GLN 306.A OE1 no hydrogen 2.794 N/A LYS 302.A NZ GLU 338.A OE2 no hydrogen 2.862 N/A ARG 303.A N LEU 299.A O no hydrogen 3.025 N/A ARG 303.A NE GLU 124.A OE2 no hydrogen 2.904 N/A ARG 303.A NH2 GLU 124.A OE1 no hydrogen 3.054 N/A ARG 303.A NH2 GLU 124.A OE2 no hydrogen 3.514 N/A PHE 304.A N GLU 300.A O no hydrogen 3.096 N/A VAL 305.A N MET 301.A O no hydrogen 3.043 N/A GLN 306.A N LYS 302.A O no hydrogen 2.894 N/A GLN 306.A NE2 TRP 335.A O no hydrogen 3.050 N/A GLN 306.A NE2 GLU 338.A OE2 no hydrogen 3.050 N/A TRP 307.A N ARG 303.A O no hydrogen 2.971 N/A LEU 308.A N PHE 304.A O no hydrogen 2.912 N/A LYS 309.A N VAL 305.A O no hydrogen 2.906 N/A LYS 309.A NZ GLN 306.A O no hydrogen 2.897 N/A LYS 312.A N HIS 134.A O no hydrogen 3.117 N/A ILE 314.A N LEU 136.A O no hydrogen 2.842 N/A THR 316.A N LEU 138.A O no hydrogen 2.951 N/A THR 316.A OG1 LEU 138.A O no hydrogen 3.174 N/A VAL 317.A N THR 140.A OG1 no hydrogen 3.296 N/A ASN 318.A ND2 THR 140.A O no hydrogen 2.973 N/A ASN 318.A ND2 THR 141.A O no hydrogen 2.964 N/A THR 321.A OG1 SER 324.A OG no hydrogen 3.109 N/A SER 324.A N THR 321.A OG1 no hydrogen 3.013 N/A SER 324.A OG THR 321.A OG1 no hydrogen 3.109 N/A ARG 325.A N THR 321.A O no hydrogen 3.028 N/A ARG 325.A NE VAL 319.A O no hydrogen 3.175 N/A SER 326.A N TRP 322.A O no hydrogen 2.938 N/A THR 327.A N LYS 323.A O no hydrogen 3.042 N/A THR 327.A OG1 LYS 323.A O no hydrogen 2.922 N/A MET 328.A N SER 324.A O no hydrogen 2.993 N/A GLU 329.A N.A ARG 325.A O no hydrogen 3.068 N/A GLU 329.A N.B ARG 325.A O no hydrogen 3.088 N/A LYS 330.A N SER 326.A O no hydrogen 2.939 N/A TYR 331.A N THR 327.A O no hydrogen 3.168 N/A PHE 332.A N MET 328.A O no hydrogen 2.948 N/A ARG 333.A N GLU 329.A O.A no hydrogen 3.058 N/A ARG 333.A N GLU 329.A O.B no hydrogen 3.005 N/A GLU 334.A N.A LYS 330.A O no hydrogen 3.106 N/A GLU 334.A N.B LYS 330.A O no hydrogen 3.090 N/A TRP 335.A N TYR 331.A O no hydrogen 2.926 N/A TRP 335.A NE1 TYR 298.A OH no hydrogen 3.042 N/A LYS 336.A N PHE 332.A O no hydrogen 3.079 N/A LYS 336.A NZ TYR 341.A OXT no hydrogen 3.124 N/A LEU 337.A N ARG 333.A O no hydrogen 2.983 N/A GLU 338.A N GLU 334.A O.A no hydrogen 2.860 N/A GLU 338.A N GLU 334.A O.B no hydrogen 3.091 N/A ALA 339.A N TRP 335.A O no hydrogen 3.054 N/A GLY 340.A N LYS 336.A O no hydrogen 2.797 N/A