Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3haj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLU 5.A OE2 no hydrogen 2.965 N/A TRP 4.A N SER 2.A OG no hydrogen 3.207 N/A GLU 5.A N SER 2.A O no hydrogen 3.259 N/A ASN 8.A N GLU 5.A O no hydrogen 3.096 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.532 N/A LYS 10.A N GLY 7.A O no hydrogen 3.479 N/A ARG 11.A N ASN 8.A O no hydrogen 3.236 N/A THR 12.A N TYR 9.A O no hydrogen 2.919 N/A THR 12.A OG1 TYR 9.A O no hydrogen 2.873 N/A VAL 13.A N TYR 9.A O no hydrogen 3.167 N/A LYS 14.A N LYS 10.A O no hydrogen 2.685 N/A ARG 15.A N THR 12.A O no hydrogen 3.167 N/A ILE 16.A N VAL 13.A O no hydrogen 3.108 N/A ASP 18.A N LYS 14.A O no hydrogen 3.240 N/A GLY 19.A N ARG 15.A O no hydrogen 3.043 N/A HIS 20.A N ILE 16.A O no hydrogen 3.458 N/A ARG 21.A N ASP 17.A O no hydrogen 3.246 N/A LEU 22.A N ASP 18.A O no hydrogen 2.973 N/A CYS 23.A N GLY 19.A O no hydrogen 3.240 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.201 N/A SER 24.A N HIS 20.A O no hydrogen 3.296 N/A SER 24.A OG HIS 20.A O no hydrogen 3.556 N/A ASP 25.A N ARG 21.A O no hydrogen 2.787 N/A LEU 26.A N LEU 22.A O no hydrogen 2.872 N/A MET 27.A N CYS 23.A O no hydrogen 3.051 N/A ASN 28.A N SER 24.A O no hydrogen 2.906 N/A CYS 29.A N ASP 25.A O no hydrogen 2.704 N/A LEU 30.A N LEU 26.A O no hydrogen 2.979 N/A HIS 31.A N MET 27.A O no hydrogen 3.122 N/A GLU 32.A N ASN 28.A O no hydrogen 3.123 N/A ARG 33.A N CYS 29.A O no hydrogen 3.332 N/A ARG 33.A NH1 GLU 37.A OE2 no hydrogen 2.469 N/A ALA 34.A N LEU 30.A O no hydrogen 2.895 N/A ARG 35.A N HIS 31.A O no hydrogen 2.920 N/A ILE 36.A N GLU 32.A O no hydrogen 3.168 N/A GLU 37.A N ARG 33.A O no hydrogen 2.995 N/A LYS 38.A N ALA 34.A O no hydrogen 3.102 N/A ALA 39.A N ARG 35.A O no hydrogen 3.021 N/A TYR 40.A N ILE 36.A O no hydrogen 3.125 N/A ALA 41.A N GLU 37.A O no hydrogen 3.060 N/A GLN 42.A N LYS 38.A O no hydrogen 2.764 N/A GLN 43.A N ALA 39.A O no hydrogen 2.865 N/A LEU 44.A N TYR 40.A O no hydrogen 2.948 N/A THR 45.A N ALA 41.A O no hydrogen 3.254 N/A THR 45.A N GLN 42.A O no hydrogen 2.919 N/A THR 45.A OG1 ALA 41.A O no hydrogen 2.911 N/A THR 45.A OG1 GLN 42.A O no hydrogen 2.829 N/A GLU 46.A N GLN 42.A O no hydrogen 2.925 N/A TRP 47.A N GLN 43.A O no hydrogen 2.942 N/A ALA 48.A N LEU 44.A O no hydrogen 3.018 N/A ARG 49.A N THR 45.A O no hydrogen 2.941 N/A ARG 50.A N GLU 46.A O no hydrogen 2.990 N/A TRP 51.A N TRP 47.A O no hydrogen 2.987 N/A ARG 52.A N ALA 48.A O no hydrogen 2.997 N/A ARG 52.A NH1 GLU 76.A OE1 no hydrogen 3.283 N/A ARG 52.A NH2 GLU 76.A OE1 no hydrogen 2.913 N/A ARG 52.A NH2 GLU 76.A OE2 no hydrogen 2.621 N/A GLN 53.A N ARG 49.A O no hydrogen 3.286 N/A LEU 54.A N ARG 50.A O no hydrogen 3.252 N/A VAL 55.A N TRP 51.A O no hydrogen 3.108 N/A GLU 56.A N ARG 52.A O no hydrogen 3.278 N/A LYS 57.A N GLN 53.A O no hydrogen 2.945 N/A THR 63.A N ASP 267.A OD1 no hydrogen 3.266 N/A THR 63.A N ASP 267.A OD2 no hydrogen 3.291 N/A THR 63.A OG1 ASP 267.A OD2 no hydrogen 3.375 N/A LYS 66.A N GLY 62.A O no hydrogen 3.338 N/A ALA 67.A N THR 63.A O no hydrogen 2.867 N/A TRP 68.A N VAL 64.A O no hydrogen 2.943 N/A MET 69.A N LYS 66.A O no hydrogen 2.634 N/A ALA 70.A N LYS 66.A O no hydrogen 2.812 N/A PHE 71.A N TRP 68.A O no hydrogen 3.349 N/A SER 73.A N MET 69.A O no hydrogen 3.203 N/A GLU 74.A N ALA 70.A O no hydrogen 3.195 N/A ALA 75.A N PHE 71.A O no hydrogen 3.325 N/A GLU 76.A N MET 72.A O no hydrogen 3.106 N/A ARG 77.A N SER 73.A O no hydrogen 2.772 N/A VAL 78.A N GLU 74.A O no hydrogen 2.875 N/A SER 79.A N ALA 75.A O no hydrogen 3.121 N/A SER 79.A OG ALA 41.A O no hydrogen 2.753 N/A GLU 80.A N GLU 76.A O no hydrogen 3.266 N/A LEU 81.A N ARG 77.A O no hydrogen 3.406 N/A HIS 82.A N VAL 78.A O no hydrogen 3.260 N/A HIS 82.A ND1 GLU 37.A OE1 no hydrogen 2.755 N/A LEU 83.A N SER 79.A O no hydrogen 3.147 N/A LEU 83.A N GLU 80.A O no hydrogen 3.016 N/A GLU 84.A N GLU 80.A O no hydrogen 2.985 N/A VAL 85.A N LEU 81.A O no hydrogen 3.069 N/A LYS 86.A N HIS 82.A O no hydrogen 3.087 N/A ALA 87.A N LEU 83.A O no hydrogen 2.823 N/A SER 88.A N GLU 84.A O no hydrogen 2.826 N/A SER 88.A OG GLU 84.A O no hydrogen 3.281 N/A LEU 89.A N VAL 85.A O no hydrogen 3.028 N/A MET 90.A N LYS 86.A O no hydrogen 3.294 N/A MET 90.A N ALA 87.A O no hydrogen 3.133 N/A ASN 91.A N ALA 87.A O no hydrogen 2.791 N/A ASP 92.A N SER 88.A O no hydrogen 3.053 N/A ASP 93.A N SER 88.A O no hydrogen 3.325 N/A PHE 94.A N LEU 89.A O no hydrogen 2.798 N/A LYS 96.A N ASP 92.A O no hydrogen 2.809 N/A LYS 96.A NZ GLU 231.A OE2 no hydrogen 3.241 N/A LYS 96.A NZ GLU 235.A OE1 no hydrogen 3.511 N/A LYS 96.A NZ GLU 235.A OE2 no hydrogen 3.178 N/A ILE 97.A N ASP 93.A O no hydrogen 3.196 N/A LYS 98.A N PHE 94.A O no hydrogen 2.999 N/A ASN 99.A N GLU 95.A O no hydrogen 2.978 N/A TRP 100.A N LYS 96.A O no hydrogen 3.190 N/A GLN 101.A N ILE 97.A O no hydrogen 3.093 N/A GLN 101.A NE2 HIS 20.A O no hydrogen 3.290 N/A GLN 101.A NE2 SER 24.A OG no hydrogen 2.944 N/A LYS 102.A N ASN 99.A O no hydrogen 2.907 N/A GLU 103.A N ASN 99.A O no hydrogen 3.192 N/A HIS 106.A N GLU 115.A OE1 no hydrogen 2.573 N/A LYS 114.A N HIS 106.A O no hydrogen 2.837 N/A THR 116.A OG1 ASP 17.A OD2 no hydrogen 2.577 N/A LYS 117.A N PHE 113.A O no hydrogen 3.064 N/A GLU 118.A N LYS 114.A O no hydrogen 3.061 N/A ALA 119.A N GLU 115.A O no hydrogen 3.064 N/A GLU 120.A N THR 116.A O no hydrogen 3.148 N/A ASP 121.A N LYS 117.A O no hydrogen 3.177 N/A GLY 122.A N GLU 118.A O no hydrogen 3.243 N/A PHE 123.A N ALA 119.A O no hydrogen 2.965 N/A PHE 123.A N GLU 120.A O no hydrogen 2.974 N/A ARG 124.A N GLU 120.A O no hydrogen 2.995 N/A ARG 124.A NH1 TYR 9.A OH no hydrogen 3.199 N/A LYS 125.A N ASP 121.A O no hydrogen 3.019 N/A GLN 127.A N ARG 124.A O no hydrogen 2.858 N/A GLN 127.A NE2 TYR 207.A OH no hydrogen 3.108 N/A LYS 128.A N ARG 124.A O no hydrogen 2.684 N/A ALA 131.A N GLN 127.A O no hydrogen 2.782 N/A LYS 132.A N LYS 128.A O no hydrogen 3.088 N/A LYS 133.A NZ GLU 199.A OE1 no hydrogen 2.865 N/A LEU 134.A N TRP 130.A O no hydrogen 3.078 N/A GLU 136.A N LYS 133.A O no hydrogen 2.817 N/A VAL 137.A N LYS 133.A O no hydrogen 3.118 N/A GLU 138.A N LEU 134.A O no hydrogen 2.962 N/A ALA 139.A N GLU 136.A O no hydrogen 3.030 N/A ALA 140.A N GLU 136.A O no hydrogen 2.998 N/A LYS 141.A N VAL 137.A O no hydrogen 2.901 N/A LYS 142.A N ALA 139.A O no hydrogen 2.826 N/A ALA 143.A N ALA 139.A O no hydrogen 2.703 N/A HIS 144.A N ALA 140.A O no hydrogen 2.982 N/A HIS 144.A NE2 VAL 186.A O no hydrogen 3.331 N/A HIS 145.A N LYS 141.A O no hydrogen 3.388 N/A ALA 146.A N LYS 142.A O no hydrogen 2.751 N/A ALA 147.A N ALA 143.A O no hydrogen 2.831 N/A CYS 148.A N HIS 144.A O no hydrogen 2.813 N/A CYS 148.A SG HIS 144.A O no hydrogen 3.445 N/A LYS 149.A N HIS 145.A O no hydrogen 3.086 N/A GLU 150.A N ALA 146.A O no hydrogen 2.783 N/A GLU 151.A N ALA 147.A O no hydrogen 2.813 N/A LYS 152.A N CYS 148.A O no hydrogen 3.325 N/A ALA 154.A N GLU 150.A O no hydrogen 3.293 N/A ILE 155.A N GLU 151.A O no hydrogen 3.165 N/A SER 156.A N LYS 152.A O no hydrogen 2.966 N/A SER 156.A OG LYS 152.A O no hydrogen 2.587 N/A ARG 157.A N LEU 153.A O no hydrogen 2.807 N/A GLU 158.A N ALA 154.A O no hydrogen 2.936 N/A ALA 159.A N ILE 155.A O no hydrogen 2.784 N/A ASN 160.A N SER 156.A O no hydrogen 2.475 N/A SER 161.A OG ASP 164.A OD1 no hydrogen 3.124 N/A LYS 162.A N ALA 159.A O no hydrogen 2.846 N/A LEU 175.A N GLN 171.A O no hydrogen 3.278 N/A GLN 176.A N LYS 173.A O no hydrogen 3.307 N/A ASP 177.A N LYS 173.A O no hydrogen 3.032 N/A LYS 178.A N LYS 174.A O no hydrogen 3.202 N/A LYS 181.A N ASP 177.A O no hydrogen 3.146 N/A CYS 182.A SG GLU 150.A O no hydrogen 3.557 N/A CYS 182.A SG LYS 178.A O no hydrogen 3.096 N/A LYS 183.A N ILE 179.A O no hydrogen 2.953 N/A GLN 184.A N LYS 181.A O no hydrogen 3.154 N/A ASP 185.A N LYS 181.A O no hydrogen 2.869 N/A VAL 186.A N CYS 182.A O no hydrogen 3.324 N/A LEU 187.A N GLN 184.A O no hydrogen 3.156 N/A LYS 188.A N ASP 185.A O no hydrogen 2.925 N/A THR 189.A N ASP 185.A O no hydrogen 2.614 N/A THR 189.A OG1 ASP 185.A O no hydrogen 3.206 N/A GLU 191.A N LYS 188.A O no hydrogen 2.835 N/A LYS 192.A N LYS 188.A O no hydrogen 3.315 N/A TYR 193.A N THR 189.A O no hydrogen 2.814 N/A GLU 194.A N LYS 190.A O no hydrogen 2.802 N/A LYS 195.A N GLU 191.A O no hydrogen 2.942 N/A SER 196.A N LYS 192.A O no hydrogen 3.072 N/A LEU 197.A N TYR 193.A O no hydrogen 3.348 N/A LYS 198.A N GLU 194.A O no hydrogen 3.401 N/A GLU 199.A N LYS 195.A O no hydrogen 2.785 N/A LEU 200.A N SER 196.A O no hydrogen 2.789 N/A GLY 203.A N LEU 200.A O no hydrogen 2.724 N/A GLN 206.A NE2 GLU 209.A OE2 no hydrogen 2.903 N/A TYR 207.A N THR 204.A O no hydrogen 2.949 N/A TYR 207.A OH TRP 4.A O no hydrogen 2.940 N/A MET 208.A N THR 204.A O no hydrogen 3.247 N/A GLU 209.A N PRO 205.A O no hydrogen 3.409 N/A MET 211.A N TYR 207.A O no hydrogen 3.110 N/A GLU 212.A N MET 208.A O no hydrogen 2.828 N/A GLN 213.A N GLU 209.A O no hydrogen 3.200 N/A VAL 214.A N ASN 210.A O no hydrogen 3.269 N/A PHE 215.A N MET 211.A O no hydrogen 3.069 N/A GLU 216.A N GLU 212.A O no hydrogen 2.880 N/A CYS 218.A N VAL 214.A O no hydrogen 3.323 N/A CYS 218.A SG VAL 214.A O no hydrogen 3.559 N/A GLN 219.A N PHE 215.A O no hydrogen 2.911 N/A GLN 220.A N GLU 216.A O no hydrogen 2.754 N/A PHE 221.A N GLN 217.A O no hydrogen 3.312 N/A GLU 222.A N CYS 218.A O no hydrogen 2.855 N/A GLU 223.A N GLN 219.A O no hydrogen 2.748 N/A ARG 225.A NH2 GLU 222.A OE1 no hydrogen 2.645 N/A LEU 226.A N GLU 222.A O no hydrogen 2.958 N/A ARG 227.A N GLU 223.A O no hydrogen 2.814 N/A PHE 228.A N LYS 224.A O no hydrogen 2.946 N/A PHE 229.A N ARG 225.A O no hydrogen 3.026 N/A ARG 230.A N LEU 226.A O no hydrogen 3.298 N/A GLU 231.A N ARG 227.A O no hydrogen 3.119 N/A VAL 232.A N PHE 228.A O no hydrogen 2.908 N/A LEU 233.A N PHE 229.A O no hydrogen 2.920 N/A LEU 234.A N ARG 230.A O no hydrogen 3.187 N/A GLU 235.A N GLU 231.A O no hydrogen 3.256 N/A VAL 236.A N VAL 232.A O no hydrogen 2.939 N/A GLN 237.A N LEU 233.A O no hydrogen 2.966 N/A LYS 238.A N LEU 234.A O no hydrogen 3.182 N/A HIS 239.A N GLU 235.A O no hydrogen 3.184 N/A LEU 240.A N VAL 236.A O no hydrogen 2.735 N/A ASP 241.A N LYS 238.A O no hydrogen 3.371 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.193 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.676 N/A TYR 248.A N VAL 245.A O no hydrogen 2.845 N/A LYS 249.A N VAL 245.A O no hydrogen 3.074 N/A ALA 250.A N ALA 246.A O no hydrogen 3.121 N/A ILE 251.A N TYR 248.A O no hydrogen 3.046 N/A TYR 252.A N LYS 249.A O no hydrogen 3.069 N/A TYR 252.A OH GLU 74.A OE1 no hydrogen 3.293 N/A HIS 253.A N LYS 249.A O no hydrogen 2.823 N/A ASP 254.A N ALA 250.A O no hydrogen 2.925 N/A LEU 255.A N ILE 251.A O no hydrogen 3.000 N/A GLU 256.A N TYR 252.A O no hydrogen 3.157 N/A SER 258.A N ASP 254.A O no hydrogen 2.830 N/A SER 258.A OG ASP 254.A O no hydrogen 2.806 N/A ILE 259.A N LEU 255.A O no hydrogen 2.841 N/A ARG 260.A N GLU 256.A O no hydrogen 2.876 N/A ALA 262.A N ILE 259.A O no hydrogen 2.991 N/A ASP 263.A N THR 63.A OG1 no hydrogen 2.687 N/A GLU 266.A N ASP 263.A OD2 no hydrogen 3.463 N/A ASP 267.A N ASP 263.A O no hydrogen 3.311 N/A LEU 268.A N ALA 264.A O no hydrogen 2.999 N/A ARG 269.A N VAL 265.A O no hydrogen 3.053 N/A TRP 270.A N GLU 266.A O no hydrogen 3.016 N/A PHE 271.A N ASP 267.A O no hydrogen 3.141 N/A ARG 272.A N LEU 268.A O no hydrogen 3.085 N/A ALA 273.A N ARG 269.A O no hydrogen 3.415 N/A ASN 274.A N TRP 270.A O no hydrogen 3.029 N/A GLY 276.A N ARG 272.A O no hydrogen 2.769 N/A GLY 278.A N ARG 272.A O no hydrogen 2.920 N/A MET 279.A N GLY 276.A O no hydrogen 2.846 N/A TRP 283.A N MET 281.A O no hydrogen 2.902 N/A