Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A OG LEU 4.A O no hydrogen 3.366 N/A SER 7.A OG SER 68.A OG no hydrogen 2.901 N/A SER 8.A OG ASN 3.A O no hydrogen 3.068 N/A SER 8.A OG GLY 5.A O no hydrogen 2.906 N/A ASN 9.A N SER 68.A O no hydrogen 2.907 N/A HIS 11.A N ASN 9.A OD1 no hydrogen 3.210 N/A HIS 11.A ND1 ASN 9.A OD1 no hydrogen 3.152 N/A ALA 12.A N ASN 9.A O no hydrogen 3.215 N/A ASP 16.A N LYS 13.A O no hydrogen 2.973 N/A PHE 17.A N PRO 14.A O no hydrogen 3.251 N/A HIS 18.A N ARG 33.A O no hydrogen 3.231 N/A LEU 20.A N LEU 31.A O no hydrogen 2.879 N/A LYS 21.A NZ VAL 22.A O no hydrogen 3.061 N/A GLY 24.A N VAL 29.A O no hydrogen 3.252 N/A LYS 28.A N VAL 45.A O no hydrogen 2.894 N/A VAL 29.A N GLY 24.A O no hydrogen 2.893 N/A LEU 30.A N VAL 43.A O no hydrogen 2.934 N/A LEU 31.A N LYS 21.A O no hydrogen 2.819 N/A ALA 32.A N TYR 41.A O no hydrogen 2.903 N/A ARG 33.A N HIS 18.A O no hydrogen 3.086 N/A HIS 34.A N VAL 39.A O no hydrogen 2.874 N/A LYS 35.A N ASP 16.A O no hydrogen 3.291 N/A LYS 35.A NZ SER 15.A O no hydrogen 2.950 N/A TYR 41.A N ALA 32.A O no hydrogen 2.821 N/A TYR 41.A OH HIS 66.A ND1 no hydrogen 3.414 N/A ALA 42.A N LEU 79.A O no hydrogen 2.989 N/A VAL 43.A N LEU 30.A O no hydrogen 2.870 N/A LYS 44.A N PHE 77.A O no hydrogen 3.025 N/A LYS 44.A NZ CYS 147.A O no hydrogen 2.762 N/A VAL 45.A N LYS 28.A O no hydrogen 2.861 N/A LEU 46.A N LEU 75.A O no hydrogen 2.929 N/A LYS 48.A N ASP 73.A O no hydrogen 2.892 N/A LYS 55.A NZ LEU 53.A O no hydrogen 3.360 N/A LYS 58.A N TYR 115.A OH no hydrogen 3.041 N/A PHE 61.A N HIS 59.A ND1 no hydrogen 3.097 N/A LEU 62.A N HIS 59.A O no hydrogen 3.275 N/A VAL 63.A N LEU 141.A O no hydrogen 3.020 N/A HIS 66.A N VAL 78.A O no hydrogen 2.849 N/A HIS 66.A NE2 ASP 80.A OD1 no hydrogen 2.475 N/A SER 68.A N SER 7.A O no hydrogen 2.899 N/A SER 68.A OG SER 7.A OG no hydrogen 2.901 N/A PHE 69.A N TYR 76.A O no hydrogen 2.917 N/A GLN 70.A NE2 ILE 2.A O no hydrogen 2.804 N/A THR 71.A N LYS 74.A O no hydrogen 3.223 N/A THR 71.A OG1 ASP 73.A OD1 no hydrogen 3.106 N/A THR 71.A OG1 LYS 74.A O no hydrogen 3.050 N/A LYS 74.A N THR 71.A OG1 no hydrogen 2.917 N/A TYR 76.A N PHE 69.A O no hydrogen 2.899 N/A PHE 77.A N LYS 44.A O no hydrogen 3.060 N/A VAL 78.A N PHE 67.A O no hydrogen 2.892 N/A LEU 79.A N ALA 42.A O no hydrogen 2.849 N/A ASP 80.A N GLY 64.A O no hydrogen 3.050 N/A LEU 87.A N ILE 131.A O no hydrogen 3.052 N/A LEU 91.A N LEU 87.A O no hydrogen 3.198 N/A GLN 92.A N PHE 88.A O no hydrogen 3.082 N/A GLN 92.A NE2 TYR 89.A O no hydrogen 3.196 N/A ARG 93.A N TYR 89.A O no hydrogen 3.390 N/A GLU 94.A N LEU 91.A O no hydrogen 3.291 N/A PHE 97.A N MET 185.A O no hydrogen 2.822 N/A ARG 101.A NH2 GLU 94.A OE1 no hydrogen 3.052 N/A ALA 102.A N LEU 98.A O no hydrogen 2.993 N/A ARG 103.A N GLU 99.A O no hydrogen 2.814 N/A ARG 103.A NE PHE 249.A O no hydrogen 2.837 N/A PHE 104.A N PRO 100.A O no hydrogen 3.182 N/A TYR 105.A N ARG 101.A O no hydrogen 3.279 N/A ALA 106.A N ALA 102.A O no hydrogen 2.860 N/A ALA 107.A N ARG 103.A O no hydrogen 2.779 N/A GLU 108.A N PHE 104.A O no hydrogen 3.017 N/A ILE 109.A N TYR 105.A O no hydrogen 2.950 N/A ALA 110.A N ALA 106.A O no hydrogen 2.818 N/A SER 111.A N ALA 107.A O no hydrogen 3.064 N/A SER 111.A OG GLU 108.A O no hydrogen 3.516 N/A ALA 112.A N GLU 108.A O no hydrogen 3.220 N/A LEU 113.A N ILE 109.A O no hydrogen 2.876 N/A GLY 114.A N ALA 110.A O no hydrogen 2.845 N/A TYR 115.A N SER 111.A O no hydrogen 3.016 N/A LEU 116.A N ALA 112.A O no hydrogen 3.097 N/A HIS 117.A N LEU 113.A O no hydrogen 2.872 N/A HIS 117.A ND1 ASP 240.A OD1 no hydrogen 2.981 N/A HIS 117.A ND1 ASP 240.A OD2 no hydrogen 2.892 N/A HIS 117.A NE2 ASP 174.A OD2 no hydrogen 2.468 N/A SER 118.A N GLY 114.A O no hydrogen 3.086 N/A SER 118.A OG TYR 115.A O no hydrogen 2.634 N/A LEU 119.A N TYR 115.A O no hydrogen 3.209 N/A LEU 119.A N LEU 116.A O no hydrogen 2.998 N/A ASN 120.A N HIS 117.A O no hydrogen 3.168 N/A ILE 121.A N LEU 116.A O no hydrogen 2.939 N/A TYR 123.A N ASP 174.A OD2 no hydrogen 3.121 N/A TYR 123.A OH THR 142.A O no hydrogen 2.497 N/A ARG 124.A N ASP 174.A OD1 no hydrogen 2.919 N/A ASP 125.A N TYR 123.A O no hydrogen 2.792 N/A ASN 130.A N LYS 127.A O no hydrogen 3.000 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.847 N/A ILE 131.A N PRO 128.A O no hydrogen 3.156 N/A LEU 132.A N VAL 140.A O no hydrogen 3.013 N/A LEU 133.A N GLY 85.A O no hydrogen 2.853 N/A ASP 134.A N HIS 138.A O no hydrogen 2.861 N/A GLN 136.A N ASP 134.A OD1 no hydrogen 2.955 N/A GLY 137.A N ASP 134.A O no hydrogen 3.120 N/A GLY 137.A N ASP 134.A OD1 no hydrogen 2.927 N/A HIS 138.A N ASP 134.A OD1 no hydrogen 2.989 N/A ILE 139.A N GLU 108.A OE1 no hydrogen 2.873 N/A VAL 140.A N LEU 132.A O no hydrogen 3.047 N/A LEU 141.A N PHE 61.A O no hydrogen 2.895 N/A THR 142.A N ASN 130.A O no hydrogen 3.086 N/A THR 142.A OG1 ASN 130.A O no hydrogen 3.072 N/A SER 150.A OG PHE 152.A O no hydrogen 3.430 N/A CYS 153.A N ARG 195.A O no hydrogen 2.821 N/A TYR 158.A OH GLU 184.A OE1 no hydrogen 2.599 N/A LEU 159.A N GLU 157.A OE2 no hydrogen 3.404 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 3.033 N/A VAL 163.A N ALA 160.A O no hydrogen 2.925 N/A LEU 164.A N ALA 160.A O no hydrogen 3.232 N/A HIS 165.A N PRO 161.A O no hydrogen 3.026 N/A LYS 166.A N VAL 163.A O no hydrogen 3.172 N/A GLN 167.A N GLU 162.A O no hydrogen 2.862 N/A GLN 167.A NE2 HIS 165.A O no hydrogen 3.134 N/A ARG 171.A NH2 ALA 237.A O no hydrogen 2.931 N/A THR 172.A OG1 ASP 170.A OD1 no hydrogen 2.597 N/A VAL 173.A N ASP 170.A O no hydrogen 3.359 N/A ASP 174.A N ARG 171.A O no hydrogen 3.120 N/A TRP 175.A N THR 172.A O no hydrogen 3.235 N/A TRP 175.A NE1 ASP 240.A OD1 no hydrogen 2.816 N/A TRP 176.A N THR 172.A O no hydrogen 3.200 N/A CYS 177.A N VAL 173.A O no hydrogen 2.916 N/A CYS 177.A SG ARG 124.A O no hydrogen 3.655 N/A CYS 177.A SG TYR 158.A O no hydrogen 3.361 N/A CYS 177.A SG VAL 173.A O no hydrogen 3.385 N/A LEU 178.A N ASP 174.A O no hydrogen 2.914 N/A GLY 179.A N TRP 175.A O no hydrogen 3.053 N/A ALA 180.A N TRP 176.A O no hydrogen 2.907 N/A VAL 181.A N CYS 177.A O no hydrogen 2.868 N/A LEU 182.A N LEU 178.A O no hydrogen 2.825 N/A TYR 183.A N GLY 179.A O no hydrogen 2.787 N/A GLU 184.A N ALA 180.A O no hydrogen 3.140 N/A MET 185.A N VAL 181.A O no hydrogen 3.089 N/A LEU 186.A N LEU 182.A O no hydrogen 3.080 N/A TYR 187.A N TYR 183.A O no hydrogen 2.853 N/A TYR 187.A OH LYS 212.A O no hydrogen 2.792 N/A GLY 188.A N GLU 184.A O no hydrogen 2.748 N/A TYR 193.A N PRO 190.A O no hydrogen 3.263 N/A SER 194.A OG GLU 199.A OE1 no hydrogen 2.590 N/A ASN 196.A N SER 194.A OG no hydrogen 3.220 N/A THR 197.A N THR 151.A O no hydrogen 3.004 N/A THR 197.A OG1 SER 150.A O no hydrogen 3.239 N/A THR 197.A OG1 THR 151.A O no hydrogen 2.936 N/A MET 200.A N ASN 196.A O no hydrogen 2.928 N/A TYR 201.A N THR 197.A O no hydrogen 2.960 N/A TYR 201.A OH GLU 157.A OE1 no hydrogen 2.715 N/A ASP 202.A N ALA 198.A O no hydrogen 3.104 N/A ASN 203.A N GLU 199.A O no hydrogen 2.903 N/A ILE 204.A N MET 200.A O no hydrogen 3.028 N/A LEU 205.A N TYR 201.A O no hydrogen 3.019 N/A ASN 206.A N ASP 202.A O no hydrogen 2.839 N/A LYS 207.A N ASN 203.A O no hydrogen 2.903 N/A LYS 207.A NZ ASP 202.A OD2 no hydrogen 2.720 N/A THR 216.A N GLU 99.A OE2 no hydrogen 2.837 N/A THR 216.A OG1 GLU 99.A OE1 no hydrogen 2.571 N/A THR 216.A OG1 GLU 99.A OE2 no hydrogen 3.273 N/A ALA 219.A N THR 216.A OG1 no hydrogen 3.279 N/A ARG 220.A N THR 216.A O no hydrogen 3.039 N/A ARG 220.A NH1 LYS 212.A O no hydrogen 2.956 N/A ARG 220.A NH2 LEU 211.A O no hydrogen 2.658 N/A HIS 221.A N ASN 217.A O no hydrogen 2.904 N/A HIS 221.A ND1 HIS 247.A NE2 no hydrogen 2.796 N/A LEU 222.A N SER 218.A O no hydrogen 3.110 N/A LEU 223.A N ALA 219.A O no hydrogen 2.901 N/A GLU 224.A N ARG 220.A O no hydrogen 2.877 N/A GLY 225.A N HIS 221.A O no hydrogen 3.084 N/A LEU 226.A N LEU 222.A O no hydrogen 2.836 N/A LEU 227.A N LEU 223.A O no hydrogen 2.890 N/A LYS 229.A NZ ILE 204.A O no hydrogen 3.154 N/A LYS 229.A NZ LYS 207.A O no hydrogen 2.992 N/A ARG 231.A NH1 ASP 170.A OD1 no hydrogen 3.380 N/A THR 232.A N ASP 230.A OD1 no hydrogen 2.948 N/A THR 232.A OG1 ASP 230.A OD1 no hydrogen 2.775 N/A LYS 233.A N ASP 230.A O no hydrogen 2.892 N/A ARG 234.A NE GLN 228.A O no hydrogen 2.802 N/A ARG 234.A NH1 GLU 162.A OE2 no hydrogen 2.868 N/A ARG 234.A NH1 THR 172.A O no hydrogen 2.909 N/A ARG 234.A NH2 GLU 162.A OE1 no hydrogen 2.961 N/A ARG 234.A NH2 GLU 162.A OE2 no hydrogen 3.308 N/A ARG 234.A NH2 GLN 228.A O no hydrogen 2.961 N/A ARG 234.A NH2 LYS 229.A O no hydrogen 3.141 N/A LEU 235.A N GLY 225.A O no hydrogen 2.974 N/A ALA 237.A N ARG 234.A O no hydrogen 3.115 N/A ASP 239.A N GLU 243.A OE2 no hydrogen 2.813 N/A ASP 240.A N GLY 236.A O no hydrogen 3.137 N/A MET 242.A N ASP 239.A O no hydrogen 3.262 N/A GLU 243.A N ASP 240.A O no hydrogen 3.184 N/A LYS 245.A N PHE 241.A O no hydrogen 2.846 N/A SER 246.A OG MET 242.A O no hydrogen 2.982 N/A SER 246.A OG GLU 243.A O no hydrogen 3.337 N/A HIS 247.A N ILE 244.A O no hydrogen 2.904 N/A HIS 247.A NE2 HIS 221.A ND1 no hydrogen 2.796 N/A PHE 249.A N HIS 247.A ND1 no hydrogen 2.979 N/A PHE 250.A N HIS 247.A O no hydrogen 2.894 N/A SER 251.A N VAL 248.A O no hydrogen 3.162 N/A SER 251.A OG VAL 248.A O no hydrogen 2.611 N/A ILE 253.A N PHE 250.A O no hydrogen 3.086 N/A TRP 255.A NE1 LYS 245.A O no hydrogen 2.958 N/A LEU 258.A N ASN 254.A O no hydrogen 3.110 N/A ILE 259.A N TRP 255.A O no hydrogen 3.246 N/A ASN 260.A N ASP 256.A O no hydrogen 3.081 N/A LYS 261.A N LEU 258.A O no hydrogen 3.165 N/A LYS 261.A NZ PRO 60.A O no hydrogen 3.333 N/A LYS 262.A N ASP 257.A O no hydrogen 2.857 N/A