Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ekp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG LYS 46.A O no hydrogen 3.511 N/A SER 4.A OG PHE 5.A O no hydrogen 3.364 N/A ALA 7.A N GLU 116.A OE1 no hydrogen 2.790 N/A ASP 9.A N LYS 6.A O no hydrogen 3.095 N/A LEU 10.A N ALA 7.A O no hydrogen 3.179 N/A GLN 11.A N PRO 51.A O no hydrogen 2.779 N/A GLU 13.A N ILE 53.A O no hydrogen 3.069 N/A THR 15.A N HIS 37.A NE2 no hydrogen 2.866 N/A LYS 17.A NZ PRO 18.A O no hydrogen 2.901 N/A HIS 19.A N ASP 36.A OD1 no hydrogen 2.835 N/A GLY 23.A N GLU 26.A OE2 no hydrogen 3.334 N/A GLU 26.A N GLY 23.A O no hydrogen 2.792 N/A LYS 32.A N VAL 29.A O no hydrogen 3.182 N/A THR 35.A N LEU 167.A O no hydrogen 3.085 N/A THR 35.A OG1 HIS 37.A O no hydrogen 3.547 N/A THR 35.A OG1 ASP 128.A OD2 no hydrogen 2.811 N/A HIS 37.A N ASP 128.A OD2 no hydrogen 3.072 N/A HIS 37.A ND1 ASP 128.A OD1 no hydrogen 2.768 N/A MET 38.A N GLN 54.A O no hydrogen 2.808 N/A LEU 39.A N VAL 165.A O no hydrogen 3.093 N/A MET 40.A N ARG 52.A O no hydrogen 2.888 N/A VAL 41.A N LEU 163.A O no hydrogen 2.838 N/A TRP 43.A N ALA 161.A O no hydrogen 3.101 N/A ASN 44.A N GLY 47.A O no hydrogen 3.319 N/A LYS 46.A N ASN 44.A OD1 no hydrogen 2.634 N/A LYS 46.A NZ ASP 45.A OD2 no hydrogen 3.257 N/A TRP 48.A N SER 2.A O no hydrogen 3.144 N/A TRP 48.A NE1 SER 111.A O no hydrogen 3.212 N/A GLY 49.A N GLU 42.A O no hydrogen 2.986 N/A ARG 52.A N MET 40.A O no hydrogen 2.996 N/A ARG 52.A NH1 GLU 42.A OE2 no hydrogen 3.292 N/A ARG 52.A NH2 GLU 42.A OE2 no hydrogen 3.148 N/A ILE 53.A N GLN 11.A O no hydrogen 2.865 N/A GLN 54.A N MET 38.A O no hydrogen 2.941 N/A PHE 56.A N ASP 36.A O no hydrogen 2.681 N/A GLN 57.A NE2 PRO 55.A O no hydrogen 3.098 N/A ALA 64.A N HIS 62.A ND1 no hydrogen 2.997 N/A SER 65.A N HIS 62.A O no hydrogen 2.763 N/A SER 65.A OG SER 67.A OG no hydrogen 3.005 N/A SER 65.A OG ASN 149.A OD1 no hydrogen 2.770 N/A SER 66.A N GLU 150.A O no hydrogen 3.202 N/A SER 67.A OG SER 65.A OG no hydrogen 3.005 N/A LEU 68.A N SER 65.A O no hydrogen 2.876 N/A HIS 69.A NE2 PRO 63.A O no hydrogen 2.860 N/A TYR 70.A N SER 66.A O no hydrogen 2.965 N/A TYR 70.A OH LEU 153.A O no hydrogen 2.446 N/A LEU 74.A N LEU 146.A O no hydrogen 3.053 N/A PHE 75.A N LYS 202.A O no hydrogen 3.189 N/A GLU 76.A N PRO 144.A O no hydrogen 3.112 N/A GLY 77.A N GLU 76.A OE2 no hydrogen 3.060 N/A MET 78.A N VAL 142.A O no hydrogen 3.279 N/A LYS 79.A NZ THR 313.A O no hydrogen 3.034 N/A LYS 79.A NZ ALA 314.A O no hydrogen 3.379 N/A ALA 80.A N LEU 140.A O no hydrogen 2.967 N/A PHE 81.A N ARG 89.A O no hydrogen 2.783 N/A LYS 82.A NZ LYS 129.A O no hydrogen 3.411 N/A LYS 82.A NZ VAL 132.A O no hydrogen 2.798 N/A GLY 83.A N GLN 87.A O no hydrogen 2.530 N/A LYS 84.A N TYR 354.A O no hydrogen 3.368 N/A GLN 86.A N GLY 83.A O no hydrogen 2.989 N/A GLN 87.A N ASP 85.A OD2 no hydrogen 2.952 N/A GLN 87.A NE2 VAL 88.A O no hydrogen 2.952 N/A GLN 87.A NE2 VAL 365.A O no hydrogen 3.279 N/A ARG 89.A N PHE 81.A O no hydrogen 2.908 N/A ARG 89.A NH2 ASP 85.A OD1 no hydrogen 3.166 N/A ARG 89.A NH2 ASP 85.A OD2 no hydrogen 2.797 N/A LEU 90.A N PHE 363.A O no hydrogen 2.703 N/A PHE 91.A N LYS 79.A O no hydrogen 3.348 N/A ARG 92.A N TRP 361.A O no hydrogen 2.858 N/A ARG 92.A NH1 SER 273.A OG no hydrogen 3.112 N/A ARG 92.A NH1 ASP 276.A OD1 no hydrogen 3.205 N/A LEU 95.A N ARG 92.A O no hydrogen 3.169 N/A ASN 96.A ND2 ARG 92.A O no hydrogen 3.259 N/A ASN 96.A ND2 PRO 93.A O no hydrogen 3.687 N/A MET 97.A N PRO 93.A O no hydrogen 3.093 N/A ASP 98.A N TRP 94.A O no hydrogen 3.138 N/A ARG 99.A N LEU 95.A O no hydrogen 3.061 N/A ARG 99.A NE GLU 76.A OE1 no hydrogen 2.759 N/A ARG 99.A NH1 PRO 267.A O no hydrogen 2.751 N/A ARG 99.A NH2 GLU 76.A OE2 no hydrogen 2.954 N/A MET 100.A N ASN 96.A O no hydrogen 2.905 N/A LEU 101.A N MET 97.A O no hydrogen 3.080 N/A ARG 102.A N ASP 98.A O no hydrogen 3.050 N/A SER 103.A N ARG 99.A O no hydrogen 2.991 N/A SER 103.A OG ARG 99.A O no hydrogen 3.137 N/A ALA 104.A N MET 100.A O no hydrogen 2.928 N/A MET 105.A N LEU 101.A O no hydrogen 3.069 N/A ARG 106.A N ARG 102.A O no hydrogen 3.071 N/A ARG 106.A N SER 103.A O no hydrogen 3.187 N/A LEU 107.A N SER 103.A O no hydrogen 3.315 N/A LEU 107.A N ALA 104.A O no hydrogen 3.137 N/A CYS 108.A N MET 105.A O no hydrogen 3.306 N/A LEU 109.A N ALA 104.A O no hydrogen 2.845 N/A ASP 113.A N SER 4.A OG no hydrogen 2.992 N/A LYS 114.A NZ ASP 98.A OD1 no hydrogen 2.579 N/A LYS 114.A NZ ASP 98.A OD2 no hydrogen 2.733 N/A LEU 115.A N ASP 113.A OD1 no hydrogen 3.158 N/A LEU 117.A N ASP 113.A O no hydrogen 3.051 N/A LEU 118.A N LYS 114.A O no hydrogen 3.006 N/A GLU 119.A N LEU 115.A O no hydrogen 2.961 N/A CYS 120.A N GLU 116.A O no hydrogen 3.015 N/A CYS 120.A SG GLU 116.A O no hydrogen 3.359 N/A ILE 121.A N LEU 117.A O no hydrogen 2.971 N/A ARG 122.A N LEU 118.A O no hydrogen 2.947 N/A ARG 122.A NE GLU 119.A OE2 no hydrogen 2.496 N/A ARG 122.A NH1 VAL 365.A OXT no hydrogen 2.743 N/A ARG 122.A NH2 GLU 119.A OE1 no hydrogen 3.442 N/A ARG 122.A NH2 GLU 119.A OE2 no hydrogen 2.813 N/A ARG 123.A N GLU 119.A O no hydrogen 3.015 N/A LEU 124.A N CYS 120.A O no hydrogen 2.957 N/A ILE 125.A N ILE 121.A O no hydrogen 2.922 N/A GLU 126.A N ARG 122.A O no hydrogen 2.770 N/A VAL 127.A N ARG 123.A O no hydrogen 2.842 N/A ASP 128.A N LEU 124.A O no hydrogen 3.102 N/A LYS 129.A N GLU 126.A O no hydrogen 3.080 N/A LYS 129.A NZ GLN 86.A O no hydrogen 3.254 N/A TRP 131.A N ASP 128.A O no hydrogen 2.660 N/A TRP 131.A NE1 ASP 36.A OD2 no hydrogen 2.843 N/A VAL 132.A N LYS 129.A O no hydrogen 3.083 N/A ALA 135.A N THR 138.A OG1 no hydrogen 3.218 N/A SER 139.A N VAL 170.A O no hydrogen 3.103 N/A LEU 140.A N ALA 80.A O no hydrogen 2.926 N/A TYR 141.A N CYS 168.A O no hydrogen 2.880 N/A VAL 142.A N MET 78.A O no hydrogen 2.746 N/A ARG 143.A N ILE 166.A O no hydrogen 2.924 N/A VAL 145.A N PHE 164.A O no hydrogen 2.776 N/A LEU 146.A N LEU 74.A O no hydrogen 3.033 N/A ILE 147.A N LEU 162.A O no hydrogen 2.987 N/A GLY 148.A N LEU 72.A O no hydrogen 2.844 N/A ASN 149.A N ARG 160.A O no hydrogen 2.744 N/A SER 152.A N GLU 150.A O no hydrogen 2.928 N/A GLY 154.A N SER 152.A OG no hydrogen 3.014 N/A GLN 157.A NE2 CYS 108.A O no hydrogen 3.356 N/A ARG 159.A N GLU 150.A OE2 no hydrogen 3.166 N/A ALA 161.A N TRP 43.A O no hydrogen 3.059 N/A LEU 162.A N ILE 147.A O no hydrogen 2.893 N/A LEU 163.A N VAL 41.A O no hydrogen 2.816 N/A PHE 164.A N VAL 145.A O no hydrogen 3.063 N/A VAL 165.A N LEU 39.A O no hydrogen 3.126 N/A ILE 166.A N ARG 143.A O no hydrogen 3.170 N/A CYS 168.A N TYR 141.A O no hydrogen 3.133 N/A CYS 168.A SG PHE 30.A O no hydrogen 3.786 N/A VAL 170.A N SER 139.A O no hydrogen 2.986 N/A VAL 179.A N SER 178.A OG no hydrogen 2.593 N/A VAL 182.A N PRO 319.A O no hydrogen 3.079 N/A SER 183.A N GLU 223.A OE1 no hydrogen 2.757 N/A LEU 184.A N ARG 322.A O no hydrogen 2.809 N/A LEU 185.A N GLN 224.A O no hydrogen 2.882 N/A ALA 186.A N LEU 324.A O no hydrogen 2.858 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 2.899 N/A PHE 190.A N ASP 187.A O no hydrogen 3.088 N/A ARG 192.A NH2 GLY 199.A O no hydrogen 2.941 N/A ARG 192.A NH2 VAL 264.A O no hydrogen 3.068 N/A VAL 195.A N TYR 229.A OH no hydrogen 3.295 N/A GLY 197.A N TRP 194.A O no hydrogen 2.766 N/A TYR 201.A N VAL 198.A O no hydrogen 3.302 N/A GLY 204.A N GLN 73.A O no hydrogen 3.442 N/A ASN 206.A N LEU 203.A O no hydrogen 2.876 N/A TYR 207.A N GLY 204.A O no hydrogen 2.841 N/A THR 210.A N TYR 207.A O no hydrogen 2.834 N/A THR 210.A OG1 TYR 207.A O no hydrogen 2.541 N/A VAL 211.A N GLY 208.A O no hydrogen 3.267 N/A GLN 214.A N THR 210.A O no hydrogen 3.040 N/A GLN 214.A NE2 GLU 223.A O no hydrogen 2.932 N/A GLN 215.A N VAL 211.A O no hydrogen 3.190 N/A GLU 216.A N LEU 212.A O no hydrogen 3.024 N/A ALA 217.A N VAL 213.A O no hydrogen 3.027 N/A LEU 218.A N GLN 214.A O no hydrogen 3.031 N/A LYS 219.A N GLN 215.A O no hydrogen 3.004 N/A LYS 219.A NZ GLU 216.A OE1 no hydrogen 2.618 N/A ARG 220.A N ALA 217.A O no hydrogen 2.871 N/A ARG 220.A NE GLU 216.A OE2 no hydrogen 2.824 N/A ARG 220.A NH2 GLU 216.A OE2 no hydrogen 3.085 N/A GLY 221.A N LEU 218.A O no hydrogen 2.947 N/A CYS 222.A N ALA 217.A O no hydrogen 2.957 N/A GLU 223.A N SER 183.A O no hydrogen 3.170 N/A GLN 224.A N SER 183.A O no hydrogen 3.077 N/A LEU 226.A N LEU 185.A O no hydrogen 2.915 N/A TRP 227.A N GLU 237.A O no hydrogen 2.935 N/A TYR 229.A N GLN 234.A O no hydrogen 2.933 N/A HIS 233.A N GLY 230.A O no hydrogen 2.974 N/A HIS 233.A ND1 TYR 325.A OH no hydrogen 2.570 N/A GLN 234.A N TYR 229.A O no hydrogen 2.879 N/A LEU 235.A N ILE 291.A O no hydrogen 2.807 N/A THR 236.A N TRP 227.A O no hydrogen 3.138 N/A THR 236.A OG1 TRP 227.A O no hydrogen 2.950 N/A VAL 238.A N MET 241.A O no hydrogen 2.833 N/A GLY 239.A N VAL 225.A O no hydrogen 2.758 N/A MET 241.A N VAL 238.A O no hydrogen 2.634 N/A ASN 242.A N SER 311.A O no hydrogen 2.852 N/A PHE 244.A N PHE 309.A O no hydrogen 2.859 N/A VAL 245.A N VAL 257.A O no hydrogen 2.879 N/A TYR 246.A N GLU 307.A O no hydrogen 2.718 N/A TRP 247.A N GLU 255.A O no hydrogen 3.088 N/A TRP 247.A NE1 GLU 255.A OE2 no hydrogen 2.915 N/A THR 248.A N ARG 304.A O no hydrogen 2.942 N/A HIS 249.A N VAL 253.A O no hydrogen 2.752 N/A GLY 252.A N HIS 249.A O no hydrogen 2.795 N/A VAL 253.A N ASP 251.A OD2 no hydrogen 3.392 N/A GLU 255.A N TRP 247.A O no hydrogen 2.784 N/A LEU 256.A N ARG 285.A O no hydrogen 2.874 N/A VAL 257.A N VAL 245.A O no hydrogen 2.916 N/A THR 258.A N VAL 287.A O no hydrogen 3.194 N/A THR 258.A OG1 ILE 243.A O no hydrogen 2.958 N/A ASN 262.A N PRO 260.A O no hydrogen 3.075 N/A VAL 264.A N ASN 262.A OD1 no hydrogen 3.189 N/A LEU 266.A N GLU 237.A OE2 no hydrogen 2.746 N/A ARG 271.A NH2 PRO 259.A O no hydrogen 3.181 N/A ARG 271.A NH2 GLU 288.A OE1 no hydrogen 2.879 N/A GLN 272.A N GLY 268.A O no hydrogen 3.185 N/A SER 273.A N VAL 269.A O no hydrogen 3.022 N/A SER 273.A OG VAL 269.A O no hydrogen 2.903 N/A LEU 274.A N VAL 270.A O no hydrogen 2.873 N/A LEU 274.A N ARG 271.A O no hydrogen 3.270 N/A LEU 275.A N ARG 271.A O no hydrogen 3.188 N/A ASP 276.A N GLN 272.A O no hydrogen 3.049 N/A MET 277.A N SER 273.A O no hydrogen 3.081 N/A ALA 278.A N LEU 274.A O no hydrogen 2.837 N/A GLN 279.A N LEU 275.A O no hydrogen 2.920 N/A THR 280.A N ASP 276.A O no hydrogen 3.059 N/A THR 280.A OG1 ASP 276.A O no hydrogen 2.979 N/A TRP 281.A N MET 277.A O no hydrogen 3.350 N/A GLY 282.A N GLN 279.A O no hydrogen 3.176 N/A ARG 285.A N LEU 254.A O no hydrogen 3.332 N/A ARG 285.A NH1 ASP 251.A OD2 no hydrogen 3.560 N/A ARG 285.A NH1 GLU 255.A OE1 no hydrogen 2.962 N/A ARG 285.A NH2 ASP 251.A OD1 no hydrogen 2.526 N/A VAL 287.A N LEU 256.A O no hydrogen 2.959 N/A ARG 289.A N THR 258.A O no hydrogen 2.926 N/A ARG 289.A NH2 GLU 255.A OE2 no hydrogen 2.822 N/A MET 293.A N HIS 233.A O no hydrogen 3.039 N/A GLN 295.A N THR 292.A OG1 no hydrogen 3.395 N/A LEU 296.A N THR 292.A O no hydrogen 2.999 N/A LEU 297.A N MET 293.A O no hydrogen 2.776 N/A ARG 298.A N LYS 294.A O no hydrogen 3.051 N/A ALA 299.A N GLN 295.A O no hydrogen 3.183 N/A LEU 300.A N LEU 296.A O no hydrogen 2.972 N/A GLU 301.A N LEU 297.A O no hydrogen 2.980 N/A GLU 302.A N ARG 298.A O no hydrogen 3.043 N/A GLY 303.A N LEU 300.A O no hydrogen 3.288 N/A ARG 304.A N ALA 299.A O no hydrogen 2.729 N/A ARG 304.A NE THR 248.A O no hydrogen 2.811 N/A ARG 304.A NH1 GLU 302.A OE1 no hydrogen 2.670 N/A ARG 304.A NH2 THR 248.A O no hydrogen 3.471 N/A ARG 306.A N TYR 246.A O no hydrogen 2.844 N/A GLU 307.A N TYR 246.A O no hydrogen 3.110 N/A VAL 308.A N THR 334.A OG1 no hydrogen 3.075 N/A PHE 309.A N PHE 244.A O no hydrogen 3.055 N/A GLY 310.A N CYS 318.A O no hydrogen 2.772 N/A SER 311.A N ASN 242.A O no hydrogen 2.771 N/A GLN 316.A NE2 THR 313.A O no hydrogen 3.248 N/A CYS 318.A N GLY 310.A O no hydrogen 2.721 N/A VAL 320.A N VAL 308.A O no hydrogen 2.988 N/A HIS 321.A N VAL 182.A O no hydrogen 3.377 N/A ARG 322.A NE SER 183.A OG no hydrogen 2.756 N/A ARG 322.A NH1 ASN 329.A OD1 no hydrogen 2.736 N/A ARG 322.A NH2 SER 183.A OG no hydrogen 3.220 N/A ILE 323.A N LEU 330.A O no hydrogen 3.012 N/A LEU 324.A N LEU 184.A O no hydrogen 2.746 N/A TYR 325.A N ARG 328.A O no hydrogen 2.948 N/A TYR 325.A OH HIS 233.A ND1 no hydrogen 2.570 N/A LEU 330.A N ILE 323.A O no hydrogen 2.959 N/A HIS 331.A NE2 GLU 336.A OE1 no hydrogen 2.586 N/A ILE 332.A N HIS 321.A O no hydrogen 2.847 N/A THR 334.A OG1 VAL 308.A O no hydrogen 3.541 N/A THR 334.A OG1 VAL 320.A O no hydrogen 2.693 N/A ASN 337.A N PRO 333.A O no hydrogen 3.115 N/A ASN 337.A N THR 334.A O no hydrogen 3.359 N/A ASN 337.A ND2 ARG 306.A O no hydrogen 2.961 N/A ASN 337.A ND2 PRO 333.A O no hydrogen 2.629 N/A GLY 338.A N MET 335.A O no hydrogen 3.067 N/A GLU 340.A N ASN 337.A O no hydrogen 3.041 N/A LEU 341.A N GLU 307.A OE1 no hydrogen 2.654 N/A ILE 342.A N GLU 307.A OE2 no hydrogen 2.976 N/A LEU 343.A N PRO 339.A O no hydrogen 3.044 N/A ARG 344.A N GLU 340.A O no hydrogen 3.277 N/A ARG 344.A N LEU 341.A O no hydrogen 3.071 N/A ARG 344.A NH1 GLU 283.A OE1 no hydrogen 2.944 N/A ARG 344.A NH1 GLU 283.A OE2 no hydrogen 3.157 N/A ARG 344.A NH2 GLU 283.A OE2 no hydrogen 2.681 N/A PHE 345.A N LEU 341.A O no hydrogen 3.039 N/A GLN 346.A N ILE 342.A O no hydrogen 2.977 N/A LYS 347.A N LEU 343.A O no hydrogen 2.914 N/A GLU 348.A N ARG 344.A O no hydrogen 3.044 N/A LEU 349.A N PHE 345.A O no hydrogen 2.944 N/A LYS 350.A N GLN 346.A O no hydrogen 2.964 N/A GLU 351.A N LYS 347.A O no hydrogen 3.079 N/A ILE 352.A N GLU 348.A O no hydrogen 3.169 N/A GLN 353.A N LEU 349.A O no hydrogen 2.711 N/A GLN 353.A NE2 GLN 316.A OE1 no hydrogen 2.915 N/A TYR 354.A N LYS 350.A O no hydrogen 2.920 N/A TYR 354.A OH THR 138.A O no hydrogen 2.797 N/A GLY 355.A N ILE 352.A O no hydrogen 3.366 N/A ARG 357.A N GLU 351.A O no hydrogen 3.011 N/A ARG 357.A NH1 GLU 348.A OE1 no hydrogen 3.511 N/A ARG 357.A NH2 GLU 351.A OE1 no hydrogen 2.936 N/A TRP 361.A N HIS 359.A ND1 no hydrogen 3.135 N/A MET 362.A N HIS 359.A O no hydrogen 3.404 N/A PHE 363.A N LEU 90.A O no hydrogen 2.765 N/A VAL 365.A N VAL 88.A O no hydrogen 2.948 N/A