Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3szn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N SER 1.A OG no hydrogen 2.815 N/A LYS 5.A NZ GLU 290.A OE1 no hydrogen 3.417 N/A PHE 8.A N SER 113.A OG no hydrogen 2.811 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.641 N/A LYS 12.A NZ ASP 155.A OD1 no hydrogen 3.157 N/A VAL 13.A N SER 10.A O no hydrogen 2.910 N/A GLU 14.A N SER 10.A O no hydrogen 2.948 N/A GLY 15.A N GLY 11.A O no hydrogen 3.282 N/A CYS 16.A N VAL 13.A O no hydrogen 2.841 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.460 N/A MET 17.A N GLU 14.A O no hydrogen 3.262 N/A VAL 18.A N GLY 29.A O no hydrogen 2.987 N/A GLN 19.A N GLN 69.A O no hydrogen 2.939 N/A VAL 20.A N LEU 27.A O no hydrogen 2.812 N/A THR 21.A N LEU 67.A O no hydrogen 2.831 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 2.966 N/A CYS 22.A N THR 25.A O no hydrogen 2.966 N/A CYS 22.A SG SER 65.A O no hydrogen 4.022 N/A THR 25.A N CYS 22.A O no hydrogen 3.028 N/A THR 25.A OG1 CYS 44.A O no hydrogen 3.487 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 2.966 N/A LEU 27.A N VAL 20.A O no hydrogen 2.942 N/A ASN 28.A N CYS 145.A O no hydrogen 2.984 N/A ASN 28.A ND2 CYS 117.A O no hydrogen 2.946 N/A ASN 28.A ND2 GLY 143.A O no hydrogen 2.987 N/A ASN 28.A ND2 CYS 145.A O no hydrogen 2.894 N/A GLY 29.A N VAL 18.A O no hydrogen 2.799 N/A LEU 30.A N TYR 37.A O no hydrogen 2.807 N/A TRP 31.A N CYS 16.A O no hydrogen 2.714 N/A TRP 31.A NE1 THR 93.A O no hydrogen 3.201 N/A LEU 32.A N THR 35.A O no hydrogen 2.917 N/A ASP 33.A N THR 98.A OG1 no hydrogen 2.975 N/A THR 35.A N LEU 32.A O no hydrogen 2.903 N/A VAL 36.A N LEU 89.A O no hydrogen 2.768 N/A TYR 37.A N LEU 30.A O no hydrogen 2.840 N/A CYS 38.A N LEU 87.A O no hydrogen 3.166 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.743 N/A ARG 40.A N CYS 85.A O no hydrogen 2.979 N/A ARG 40.A NE ASP 187.A OD2 no hydrogen 2.730 N/A ARG 40.A NH2 ASP 187.A OD1 no hydrogen 2.987 N/A VAL 42.A N PRO 39.A O no hydrogen 3.238 N/A ILE 43.A N ARG 40.A O no hydrogen 3.104 N/A CYS 44.A N HIS 41.A O no hydrogen 3.013 N/A CYS 44.A SG.A TYR 54.A OH no hydrogen 3.532 N/A CYS 44.A SG.B THR 45.A O no hydrogen 3.020 N/A THR 45.A N ASP 48.A OD2 no hydrogen 2.627 N/A THR 45.A OG1 GLU 47.A OE1 no hydrogen 2.746 N/A THR 45.A OG1 ASP 48.A OD2 no hydrogen 2.639 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.619 N/A ASP 48.A N THR 45.A OG1 no hydrogen 3.390 N/A MET 49.A N ALA 46.A O no hydrogen 3.323 N/A TYR 54.A OH ASP 187.A O no hydrogen 2.790 N/A LEU 57.A N ASN 53.A O no hydrogen 2.877 N/A LEU 58.A N TYR 54.A O no hydrogen 2.850 N/A ILE 59.A N GLU 55.A O no hydrogen 3.101 N/A ARG 60.A NE ASP 56.A O no hydrogen 3.248 N/A ARG 60.A NE ASP 56.A OD1 no hydrogen 3.059 N/A ARG 60.A NH2 ASP 56.A OD1 no hydrogen 2.828 N/A LYS 61.A N LEU 58.A O no hydrogen 2.872 N/A SER 62.A N SER 65.A OG no hydrogen 2.915 N/A SER 62.A OG SER 65.A OG no hydrogen 3.195 N/A SER 65.A N SER 62.A O no hydrogen 3.246 N/A SER 65.A OG SER 62.A O no hydrogen 3.411 N/A SER 65.A OG SER 62.A OG no hydrogen 3.195 N/A PHE 66.A N ASN 63.A O no hydrogen 3.136 N/A LEU 67.A N THR 21.A O no hydrogen 2.914 N/A GLN 69.A N GLN 19.A O no hydrogen 2.882 N/A ALA 70.A N VAL 73.A O no hydrogen 2.748 N/A VAL 73.A N ALA 70.A O no hydrogen 2.812 N/A LEU 75.A N VAL 68.A O no hydrogen 2.811 N/A ARG 76.A N ASP 92.A OD1 no hydrogen 3.304 N/A ILE 78.A N LYS 90.A O no hydrogen 2.691 N/A HIS 80.A ND1 ASN 63.A OD1 no hydrogen 2.580 N/A SER 81.A N ARG 88.A O no hydrogen 3.014 N/A GLN 83.A N LEU 86.A O no hydrogen 2.876 N/A CYS 85.A N GLY 179.A O no hydrogen 2.901 N/A CYS 85.A SG ASP 187.A OD1 no hydrogen 3.744 N/A CYS 85.A SG ASP 187.A OD2 no hydrogen 3.620 N/A LEU 86.A N GLN 83.A O no hydrogen 2.920 N/A LEU 87.A N CYS 38.A O no hydrogen 2.812 N/A ARG 88.A N SER 81.A O no hydrogen 2.824 N/A ARG 88.A NH1 GLN 83.A OE1 no hydrogen 3.277 N/A LEU 89.A N VAL 36.A O no hydrogen 2.823 N/A LYS 90.A N GLY 79.A O no hydrogen 2.759 N/A LYS 90.A NZ THR 35.A OG1 no hydrogen 3.252 N/A VAL 91.A N ASP 34.A O no hydrogen 2.940 N/A ASP 92.A N ARG 76.A O no hydrogen 2.891 N/A THR 93.A OG1 ASP 92.A OD1 no hydrogen 2.930 N/A ASN 95.A N ASP 33.A O no hydrogen 2.789 N/A ASN 95.A ND2 GLY 15.A O no hydrogen 3.014 N/A ASN 95.A ND2 TRP 31.A O no hydrogen 2.875 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 2.867 N/A THR 98.A N ASN 95.A O no hydrogen 3.153 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.668 N/A TYR 101.A OH ASP 33.A OD2 no hydrogen 3.285 N/A LYS 102.A N VAL 157.A O no hydrogen 2.861 N/A VAL 104.A N PHE 159.A O no hydrogen 2.943 N/A ARG 105.A NH1 ASP 176.A OD2 no hydrogen 2.873 N/A ARG 105.A NH1 LYS 180.A O no hydrogen 3.128 N/A ARG 105.A NH1 PHE 181.A O no hydrogen 3.475 N/A ARG 105.A NH2 PHE 181.A O no hydrogen 2.915 N/A ILE 106.A N TYR 182.A OH no hydrogen 3.085 N/A GLN 107.A N GLN 110.A OE1.B no hydrogen 2.905 N/A GLN 107.A NE2 ARG 105.A O no hydrogen 3.371 N/A GLY 109.A N MET 130.A O no hydrogen 2.693 N/A GLN 110.A N GLN 107.A O no hydrogen 3.104 N/A GLN 110.A NE2.A PRO 108.A O no hydrogen 3.039 N/A THR 111.A OG1 ASP 295.A OD1 no hydrogen 3.163 N/A THR 111.A OG1 ASP 295.A OD2 no hydrogen 2.670 N/A PHE 112.A N CYS 128.A O no hydrogen 2.952 N/A SER 113.A N PHE 150.A O no hydrogen 2.911 N/A SER 113.A OG GLN 127.A OE1 no hydrogen 2.804 N/A VAL 114.A N TYR 126.A O no hydrogen 2.748 N/A LEU 115.A N VAL 148.A O no hydrogen 3.000 N/A ALA 116.A N GLY 124.A O no hydrogen 2.810 N/A CYS 117.A N SER 147.A OG no hydrogen 2.934 N/A CYS 117.A SG.A LEU 115.A O no hydrogen 3.515 N/A CYS 117.A SG.B ASN 28.A OD1 no hydrogen 3.350 N/A TYR 118.A N SER 121.A O no hydrogen 3.078 N/A GLY 120.A N ASN 28.A OD1 no hydrogen 2.820 N/A SER 121.A N TYR 118.A O no hydrogen 2.835 N/A SER 123.A N ALA 116.A O no hydrogen 2.740 N/A SER 123.A OG ALA 116.A O no hydrogen 3.212 N/A GLY 124.A N ALA 116.A O no hydrogen 3.367 N/A TYR 126.A N VAL 114.A O no hydrogen 3.128 N/A TYR 126.A OH SER 139.A O no hydrogen 3.023 N/A CYS 128.A N PHE 112.A O no hydrogen 2.875 N/A CYS 128.A SG LYS 137.A O no hydrogen 3.729 N/A ALA 129.A N GLU 290.A OE1 no hydrogen 3.118 N/A MET 130.A N GLN 110.A O no hydrogen 2.821 N/A ARG 131.A N THR 135.A O no hydrogen 2.890 N/A ARG 131.A NE ASP 197.A OD2 no hydrogen 2.790 N/A ARG 131.A NH1 ASP 289.A OD1 no hydrogen 2.963 N/A ARG 131.A NH1 ASP 289.A OD2 no hydrogen 3.405 N/A ARG 131.A NH1 GLU 290.A OE2 no hydrogen 2.890 N/A ARG 131.A NH2 ASP 197.A OD2 no hydrogen 3.466 N/A ARG 131.A NH2 THR 198.A O no hydrogen 3.040 N/A ARG 131.A NH2 ASP 289.A OD2 no hydrogen 2.724 N/A ASN 133.A N ASP 197.A OD1 no hydrogen 3.132 N/A ASN 133.A ND2 GLY 195.A O no hydrogen 2.934 N/A HIS 134.A N ARG 131.A O no hydrogen 2.823 N/A THR 135.A N ASN 133.A OD1 no hydrogen 3.280 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.683 N/A ILE 136.A N HIS 172.A O no hydrogen 2.979 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 3.093 N/A SER 139.A N TYR 126.A OH no hydrogen 2.885 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.891 N/A SER 144.A N LEU 141.A O no hydrogen 3.147 N/A SER 144.A OG LEU 141.A O no hydrogen 2.725 N/A CYS 145.A SG HIS 41.A NE2 no hydrogen 3.629 N/A CYS 145.A SG HIS 164.A O no hydrogen 3.157 N/A GLY 146.A N HIS 163.A O no hydrogen 2.987 N/A SER 147.A N SER 144.A O no hydrogen 3.102 N/A SER 147.A OG SER 144.A O no hydrogen 2.703 N/A GLY 149.A N TYR 161.A O no hydrogen 2.795 N/A PHE 150.A N SER 113.A O no hydrogen 2.829 N/A ASN 151.A N SER 158.A O no hydrogen 2.955 N/A ASN 151.A ND2 THR 111.A O no hydrogen 3.047 N/A ASP 153.A N CYS 156.A O no hydrogen 2.903 N/A CYS 156.A N ASP 153.A O no hydrogen 2.865 N/A CYS 156.A SG VAL 157.A O no hydrogen 4.045 N/A VAL 157.A N LYS 100.A O no hydrogen 2.876 N/A SER 158.A N ASN 151.A O no hydrogen 2.785 N/A SER 158.A OG ASP 153.A OD2 no hydrogen 3.349 N/A PHE 159.A N LYS 102.A O no hydrogen 2.946 N/A CYS 160.A N GLY 149.A O no hydrogen 2.977 N/A TYR 161.A N GLY 149.A O no hydrogen 3.304 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 2.913 N/A MET 162.A N THR 175.A O no hydrogen 2.765 N/A HIS 163.A N SER 147.A O no hydrogen 2.835 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 2.913 N/A HIS 164.A N ALA 173.A O no hydrogen 3.233 N/A HIS 164.A NE2 THR 175.A OG1 no hydrogen 3.049 N/A MET 165.A N ALA 173.A O no hydrogen 3.023 N/A LEU 167.A N VAL 171.A O no hydrogen 2.811 N/A GLY 170.A N LEU 167.A O no hydrogen 2.878 N/A HIS 172.A N ILE 136.A O no hydrogen 2.847 N/A HIS 172.A NE2 GLU 166.A OE2 no hydrogen 2.908 N/A ALA 173.A N MET 165.A O no hydrogen 2.916 N/A THR 175.A N MET 162.A O no hydrogen 2.996 N/A THR 175.A OG1 HIS 164.A NE2 no hydrogen 3.049 N/A THR 175.A OG1 ASP 176.A O no hydrogen 2.914 N/A ASP 176.A N LYS 180.A O no hydrogen 2.968 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 2.943 N/A GLY 179.A N ASP 176.A O no hydrogen 3.028 N/A LYS 180.A N ASP 176.A OD1 no hydrogen 2.971 N/A TYR 182.A N GLY 174.A O no hydrogen 2.953 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.495 N/A GLN 189.A N MET 49.A O no hydrogen 2.722 N/A THR 199.A N ASN 238.A O no hydrogen 3.047 N/A ILE 200.A N ASP 289.A OD2 no hydrogen 2.807 N/A THR 201.A OG1 GLU 240.A O no hydrogen 2.608 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 2.929 N/A ASN 203.A ND2 ASP 289.A O no hydrogen 2.914 N/A VAL 204.A N ILE 200.A O no hydrogen 3.101 N/A LEU 205.A N THR 201.A O no hydrogen 3.000 N/A ALA 206.A N LEU 202.A O no hydrogen 2.949 N/A TRP 207.A N ASN 203.A O no hydrogen 3.007 N/A LEU 208.A N VAL 204.A O no hydrogen 2.979 N/A TYR 209.A N LEU 205.A O no hydrogen 3.021 N/A TYR 209.A OH ILE 259.A O no hydrogen 2.791 N/A ALA 210.A N ALA 206.A O no hydrogen 2.892 N/A ALA 211.A N TRP 207.A O no hydrogen 2.920 N/A VAL 212.A N LEU 208.A O no hydrogen 3.115 N/A ILE 213.A N TYR 209.A O no hydrogen 2.830 N/A ASN 214.A N ALA 210.A O no hydrogen 3.008 N/A ASN 214.A ND2 GLY 2.A O no hydrogen 3.039 N/A GLY 215.A N ALA 211.A O no hydrogen 3.104 N/A GLY 215.A N VAL 212.A O no hydrogen 2.946 N/A ASP 216.A N ALA 211.A O no hydrogen 2.988 N/A TRP 218.A N ASP 216.A OD1 no hydrogen 3.352 N/A TRP 218.A NE1 THR 280.A O no hydrogen 2.938 N/A LEU 220.A N ARG 217.A O no hydrogen 3.088 N/A ASN 221.A ND2 ALA 266.A O no hydrogen 3.372 N/A ASN 221.A ND2 GLU 270.A OE1 no hydrogen 2.935 N/A PHE 223.A N ASN 221.A OD1 no hydrogen 2.915 N/A THR 224.A OG1 ASP 263.A OD1 no hydrogen 2.846 N/A THR 225.A OG1 THR 226.A O no hydrogen 2.987 N/A ASP 229.A N THR 226.A OG1 no hydrogen 2.959 N/A PHE 230.A N THR 226.A O no hydrogen 2.936 N/A ASN 231.A N LEU 227.A O no hydrogen 2.999 N/A ASN 231.A ND2 LEU 242.A O no hydrogen 2.953 N/A LEU 232.A N ASN 228.A O no hydrogen 3.156 N/A ALA 234.A N PHE 230.A O no hydrogen 2.924 N/A MET 235.A N ASN 231.A O no hydrogen 3.014 N/A LYS 236.A N LEU 232.A O no hydrogen 3.458 N/A TYR 237.A N VAL 233.A O no hydrogen 3.122 N/A TYR 237.A N ALA 234.A O no hydrogen 3.248 N/A ASN 238.A N MET 235.A O no hydrogen 3.380 N/A ASN 238.A ND2 ASP 197.A O no hydrogen 2.976 N/A TYR 239.A N ALA 234.A O no hydrogen 2.816 N/A GLU 240.A N THR 199.A O no hydrogen 3.024 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.760 N/A HIS 246.A N THR 243.A OG1 no hydrogen 3.161 N/A VAL 247.A N THR 243.A O no hydrogen 3.064 N/A ASP 248.A N GLN 244.A O no hydrogen 2.867 N/A ILE 249.A N ASP 245.A O no hydrogen 2.980 N/A LEU 250.A N HIS 246.A O no hydrogen 3.192 N/A LEU 250.A N VAL 247.A O no hydrogen 3.175 N/A GLY 251.A N ASP 248.A O no hydrogen 3.029 N/A SER 254.A N LEU 250.A O no hydrogen 2.889 N/A SER 254.A OG ILE 259.A O no hydrogen 2.583 N/A ALA 255.A N GLY 251.A O no hydrogen 2.832 N/A GLN 256.A N PRO 252.A O no hydrogen 2.963 N/A GLN 256.A NE2 SER 301.A O no hydrogen 2.907 N/A THR 257.A N LEU 253.A O no hydrogen 3.153 N/A THR 257.A N SER 254.A O no hydrogen 3.327 N/A THR 257.A OG1 LEU 253.A O no hydrogen 3.013 N/A THR 257.A OG1 SER 254.A O no hydrogen 3.399 N/A GLY 258.A N SER 254.A O no hydrogen 2.788 N/A ILE 259.A N THR 257.A OG1 no hydrogen 3.417 N/A MET 264.A N ALA 260.A O no hydrogen 2.917 N/A CYS 265.A N VAL 261.A O no hydrogen 2.769 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.379 N/A ALA 266.A N LEU 262.A O no hydrogen 2.981 N/A ALA 267.A N ASP 263.A O no hydrogen 3.090 N/A LEU 268.A N MET 264.A O no hydrogen 2.912 N/A LYS 269.A N CYS 265.A O no hydrogen 2.855 N/A LYS 269.A NZ THR 225.A OG1 no hydrogen 2.794 N/A GLU 270.A N ALA 266.A O no hydrogen 3.051 N/A LEU 271.A N ALA 267.A O no hydrogen 3.039 N/A LEU 272.A N LEU 268.A O no hydrogen 2.883 N/A GLN 273.A N LYS 269.A O no hydrogen 2.951 N/A ASN 274.A N GLU 270.A O no hydrogen 2.764 N/A GLY 275.A N LEU 271.A O no hydrogen 2.786 N/A ARG 279.A N MET 276.A O no hydrogen 3.086 N/A ILE 281.A N SER 284.A O no hydrogen 2.800 N/A SER 284.A N ILE 281.A O no hydrogen 2.779 N/A SER 284.A OG ILE 286.A O no hydrogen 2.764 N/A ILE 286.A N SER 284.A OG no hydrogen 3.183 N/A GLU 290.A N GLU 288.A OE1 no hydrogen 3.004 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.109 N/A ASP 295.A N THR 292.A OG1 no hydrogen 2.919 N/A VAL 296.A N THR 292.A O no hydrogen 2.994 N/A VAL 297.A N PRO 293.A O no hydrogen 3.067 N/A ARG 298.A N PHE 294.A O no hydrogen 2.915 N/A ARG 298.A NH2 MET 6.A O no hydrogen 2.787 N/A GLN 299.A N ASP 295.A O no hydrogen 3.147 N/A GLN 299.A N VAL 296.A O no hydrogen 3.172 N/A GLN 299.A NE2 ARG 4.A O no hydrogen 3.326 N/A CYS 300.A N VAL 296.A O no hydrogen 2.808 N/A CYS 300.A SG ASN 214.A OD1 no hydrogen 3.833 N/A SER 301.A OG VAL 303.A O no hydrogen 3.188 N/A VAL 303.A N SER 301.A OG no hydrogen 3.045 N/A THR 304.A OG1 GLN 256.A O no hydrogen 2.882 N/A PHE 305.A N ILE 213.A O no hydrogen 2.923 N/A