Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N LEU 2.A O no hydrogen 3.165 N/A LEU 6.A N ASP 3.A O no hydrogen 2.693 N/A TYR 7.A N ASP 3.A O no hydrogen 3.141 N/A TYR 9.A OH PRO 33.A O no hydrogen 2.971 N/A ARG 10.A N TYR 27.A O no hydrogen 2.510 N/A ALA 12.A N ARG 25.A O no hydrogen 3.069 N/A ASP 14.A N ILE 23.A O no hydrogen 2.911 N/A VAL 16.A N GLN 18.A OE1 no hydrogen 2.511 N/A GLY 17.A N ASN 15.A OD1 no hydrogen 3.426 N/A GLN 18.A N GLN 18.A OE1 no hydrogen 2.435 N/A GLN 18.A NE2 ASN 15.A OD1 no hydrogen 3.688 N/A GLN 18.A NE2 ALA 21.A O no hydrogen 3.412 N/A ALA 21.A N SER 19.A O no hydrogen 3.036 N/A THR 22.A N HIS 39.A O no hydrogen 2.915 N/A TYR 24.A N LEU 37.A O no hydrogen 2.959 N/A ARG 25.A N ALA 12.A O no hydrogen 2.741 N/A ARG 25.A NH2 GLU 34.A OE1 no hydrogen 2.386 N/A LEU 26.A N LEU 35.A O no hydrogen 2.679 N/A TYR 27.A N ARG 10.A O no hydrogen 2.981 N/A LYS 29.A NZ TYR 7.A O no hydrogen 2.661 N/A LEU 35.A N LEU 26.A O no hydrogen 2.815 N/A PHE 36.A N THR 81.A O no hydrogen 2.974 N/A LEU 37.A N TYR 24.A O no hydrogen 3.096 N/A LYS 38.A N LEU 79.A O no hydrogen 2.813 N/A HIS 39.A N THR 22.A O no hydrogen 2.781 N/A HIS 39.A NE2 ASP 76.A OD2 no hydrogen 2.787 N/A GLY 40.A N ALA 77.A O no hydrogen 3.131 N/A GLY 42.A N ASP 75.A O no hydrogen 2.916 N/A VAL 44.A N LYS 41.A O no hydrogen 2.939 N/A ALA 45.A N GLY 42.A O no hydrogen 3.096 N/A ASN 46.A N SER 43.A O no hydrogen 3.083 N/A VAL 48.A N VAL 44.A O no hydrogen 2.988 N/A THR 49.A N ALA 45.A O no hydrogen 2.791 N/A THR 49.A OG1 ALA 45.A O no hydrogen 3.010 N/A ASP 50.A N ASN 46.A O no hydrogen 2.807 N/A GLU 51.A N ASP 47.A O no hydrogen 3.163 N/A GLU 51.A N VAL 48.A O no hydrogen 3.239 N/A MET 52.A N VAL 48.A O no hydrogen 3.144 N/A VAL 53.A N THR 49.A O no hydrogen 3.247 N/A ARG 54.A N ASP 50.A O no hydrogen 3.346 N/A ARG 54.A NE VAL 203.A O no hydrogen 2.660 N/A ARG 54.A NH1 ASP 50.A O no hydrogen 3.091 N/A LEU 55.A N GLU 51.A O no hydrogen 2.806 N/A ASN 56.A N MET 52.A O no hydrogen 2.937 N/A TRP 57.A N VAL 53.A O no hydrogen 2.853 N/A TRP 57.A NE1 ASN 121.A O no hydrogen 3.064 N/A LEU 58.A N ARG 54.A O no hydrogen 2.696 N/A THR 59.A N LEU 55.A O no hydrogen 3.178 N/A PHE 61.A N LEU 58.A O no hydrogen 2.817 N/A MET 62.A N LEU 58.A O no hydrogen 3.082 N/A THR 66.A N THR 82.A OG1 no hydrogen 3.034 N/A LYS 68.A N LEU 80.A O no hydrogen 2.918 N/A HIS 69.A N LEU 80.A O no hydrogen 3.239 N/A ILE 71.A N TRP 78.A O no hydrogen 2.824 N/A ARG 72.A NE THR 73.A O no hydrogen 2.868 N/A ARG 72.A NH1 ASN 46.A OD1 no hydrogen 2.915 N/A ARG 72.A NH2 PRO 74.A O no hydrogen 2.948 N/A THR 73.A N ASP 76.A O no hydrogen 2.856 N/A THR 73.A OG1 ASP 76.A O no hydrogen 3.284 N/A ASP 76.A N THR 73.A O no hydrogen 3.292 N/A ASP 76.A N THR 73.A OG1 no hydrogen 3.250 N/A ALA 77.A N GLY 40.A O no hydrogen 3.048 N/A TRP 78.A N ILE 71.A O no hydrogen 2.697 N/A LEU 79.A N LYS 38.A O no hydrogen 2.971 N/A LEU 80.A N HIS 69.A O no hydrogen 2.783 N/A THR 81.A N PHE 36.A O no hydrogen 2.840 N/A THR 82.A N THR 66.A O no hydrogen 3.063 N/A ALA 83.A N GLU 34.A O no hydrogen 3.117 N/A LYS 87.A N PHE 189.A O no hydrogen 2.815 N/A LYS 87.A NZ GLU 95.A OE1 no hydrogen 2.684 N/A THR 88.A N GLN 91.A OE1 no hydrogen 3.421 N/A ALA 89.A N LEU 187.A O no hydrogen 2.938 N/A PHE 90.A N LEU 184.A O no hydrogen 3.010 N/A GLN 91.A N THR 88.A OG1 no hydrogen 3.065 N/A VAL 92.A N THR 88.A O no hydrogen 3.075 N/A LEU 93.A N ALA 89.A O no hydrogen 2.915 N/A GLU 94.A N PHE 90.A O no hydrogen 2.965 N/A GLU 95.A N GLN 91.A O no hydrogen 2.790 N/A TYR 96.A N VAL 92.A O no hydrogen 3.040 N/A TYR 96.A OH GLU 95.A OE2 no hydrogen 2.943 N/A SER 99.A N TYR 96.A O no hydrogen 3.099 N/A ASN 102.A N SER 99.A O no hydrogen 2.975 N/A ILE 103.A N SER 99.A O no hydrogen 3.029 N/A VAL 104.A N GLY 100.A O no hydrogen 2.880 N/A ASP 105.A N GLU 101.A O no hydrogen 3.093 N/A ALA 106.A N ASN 102.A O no hydrogen 2.869 N/A LEU 107.A N ILE 103.A O no hydrogen 2.806 N/A ALA 108.A N VAL 104.A O no hydrogen 3.068 N/A VAL 109.A N ASP 105.A O no hydrogen 3.059 N/A PHE 110.A N ALA 106.A O no hydrogen 3.069 N/A LEU 111.A N LEU 107.A O no hydrogen 2.889 N/A ARG 112.A N ALA 108.A O no hydrogen 2.760 N/A ARG 112.A NE TYR 234.A O no hydrogen 2.899 N/A ARG 112.A NH2 TYR 234.A O no hydrogen 3.531 N/A ARG 113.A N VAL 109.A O no hydrogen 2.915 N/A LEU 114.A N PHE 110.A O no hydrogen 2.993 N/A HIS 115.A N LEU 111.A O no hydrogen 3.054 N/A HIS 115.A ND1 TYR 234.A OH no hydrogen 2.589 N/A HIS 115.A NE2 ASP 211.A OD2 no hydrogen 2.975 N/A SER 116.A N ARG 113.A O no hydrogen 3.054 N/A SER 116.A OG ARG 113.A O no hydrogen 2.814 N/A ILE 117.A N LEU 114.A O no hydrogen 3.142 N/A ASN 121.A N PRO 118.A O no hydrogen 2.934 N/A CYS 122.A N VAL 119.A O no hydrogen 2.710 N/A CYS 122.A SG PHE 124.A O no hydrogen 3.533 N/A ASN 125.A ND2 ASP 127.A OD1 no hydrogen 3.481 N/A SER 126.A N ILE 205.A O no hydrogen 2.932 N/A SER 126.A OG ARG 202.A O no hydrogen 3.308 N/A ASP 127.A N ASN 125.A OD1 no hydrogen 3.038 N/A ARG 128.A NH2 PHE 171.A O no hydrogen 2.968 N/A PHE 130.A N ASP 127.A O no hydrogen 2.917 N/A PHE 130.A N ASP 127.A OD1 no hydrogen 2.937 N/A ARG 131.A N ASP 127.A O no hydrogen 2.988 N/A ARG 131.A NE GLN 134.A OE1 no hydrogen 3.322 N/A LEU 132.A N ARG 128.A O no hydrogen 2.527 N/A ALA 133.A N VAL 129.A O no hydrogen 3.308 N/A GLN 134.A N PHE 130.A O no hydrogen 3.089 N/A ALA 135.A N ARG 131.A O no hydrogen 2.744 N/A GLN 136.A N LEU 132.A O no hydrogen 2.969 N/A SER 137.A N ALA 133.A O no hydrogen 3.158 N/A ARG 138.A N ALA 135.A O no hydrogen 3.317 N/A ARG 138.A NH1 LEU 143.A O no hydrogen 3.408 N/A ARG 138.A NH2 PHE 254.A O no hydrogen 3.216 N/A MET 139.A N ALA 135.A O no hydrogen 3.020 N/A ASN 140.A N GLN 136.A O no hydrogen 2.823 N/A GLY 142.A N MET 139.A O no hydrogen 2.629 N/A LEU 143.A N ARG 138.A O no hydrogen 2.850 N/A ALA 146.A N VAL 144.A O no hydrogen 3.165 N/A SER 147.A N ASP 145.A OD1 no hydrogen 3.145 N/A ASP 148.A N ASP 145.A O no hydrogen 2.796 N/A ASP 150.A N GLU 252.A OE1 no hydrogen 3.222 N/A ASP 150.A N GLU 252.A OE2 no hydrogen 2.625 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.727 N/A ARG 153.A N ASP 150.A O no hydrogen 3.007 N/A ARG 153.A NH1 ASP 150.A OD2 no hydrogen 3.348 N/A ASN 154.A N ASP 151.A O no hydrogen 2.774 N/A TRP 156.A N ARG 153.A O no hydrogen 2.974 N/A GLN 160.A N PRO 157.A O no hydrogen 2.942 N/A VAL 161.A N PRO 157.A O no hydrogen 3.310 N/A TRP 162.A N VAL 158.A O no hydrogen 2.923 N/A GLU 164.A N GLN 160.A O no hydrogen 2.709 N/A MET 165.A N VAL 161.A O no hydrogen 2.985 N/A HIS 166.A N LYS 163.A O no hydrogen 3.323 N/A HIS 166.A ND1 TRP 162.A O no hydrogen 2.988 N/A LYS 167.A N GLU 164.A O no hydrogen 3.450 N/A LYS 167.A NZ GLU 164.A OE1 no hydrogen 3.141 N/A LYS 167.A NZ GLU 164.A OE2 no hydrogen 2.594 N/A LEU 168.A N MET 165.A O no hydrogen 3.343 N/A ASP 174.A N ASP 207.A OD2 no hydrogen 3.424 N/A VAL 176.A N ALA 206.A O no hydrogen 2.847 N/A THR 178.A N GLY 204.A O no hydrogen 3.007 N/A THR 178.A OG1 GLY 204.A O no hydrogen 3.217 N/A HIS 179.A N ASP 211.A OD2 no hydrogen 2.611 N/A HIS 179.A NE2 ILE 198.A O no hydrogen 2.796 N/A GLY 180.A N ASP 211.A OD1 no hydrogen 2.947 N/A ASP 181.A N HIS 179.A ND1 no hydrogen 3.030 N/A SER 183.A N ASP 181.A O no hydrogen 2.776 N/A ASP 185.A N SER 183.A OG no hydrogen 3.245 N/A ASN 186.A N SER 183.A O no hydrogen 3.326 N/A ASN 186.A ND2 ASP 181.A O no hydrogen 2.928 N/A ILE 188.A N GLY 196.A O no hydrogen 2.808 N/A PHE 189.A N LYS 87.A O no hydrogen 2.760 N/A ASP 190.A N LYS 193.A O no hydrogen 2.774 N/A LYS 193.A N ASP 190.A O no hydrogen 3.054 N/A ILE 195.A N ILE 188.A O no hydrogen 3.039 N/A CYS 197.A N PRO 63.A O no hydrogen 3.455 N/A ILE 198.A N ASN 186.A O no hydrogen 2.837 N/A VAL 203.A N VAL 200.A O no hydrogen 3.046 N/A GLY 204.A N THR 178.A O no hydrogen 3.406 N/A ILE 205.A N PHE 124.A O no hydrogen 2.817 N/A ALA 206.A N VAL 176.A O no hydrogen 3.090 N/A ARG 208.A N ASP 174.A OD1 no hydrogen 3.099 N/A ARG 208.A NE TYR 234.A OH no hydrogen 2.705 N/A ARG 208.A NH2 TYR 234.A OH no hydrogen 2.989 N/A TYR 209.A N ASP 207.A OD1 no hydrogen 2.976 N/A GLN 210.A N ASP 207.A O no hydrogen 2.740 N/A GLN 210.A NE2 GLY 180.A O no hydrogen 2.684 N/A ASP 211.A N ARG 208.A O no hydrogen 2.839 N/A LEU 212.A N ARG 208.A O no hydrogen 3.034 N/A ALA 213.A N TYR 209.A O no hydrogen 2.841 N/A LEU 215.A N ASP 211.A O no hydrogen 3.238 N/A TRP 216.A N LEU 212.A O no hydrogen 2.894 N/A ASN 217.A N ALA 213.A O no hydrogen 2.917 N/A ASN 217.A ND2 ASP 150.A OD1 no hydrogen 3.211 N/A CYS 218.A N ILE 214.A O no hydrogen 3.145 N/A CYS 218.A SG ILE 214.A O no hydrogen 3.335 N/A LEU 219.A N LEU 215.A O no hydrogen 3.004 N/A GLY 220.A N ASN 217.A O no hydrogen 2.718 N/A GLU 221.A N CYS 218.A O no hydrogen 3.285 N/A PHE 222.A N LEU 219.A O no hydrogen 3.207 N/A SER 223.A N LEU 219.A O no hydrogen 3.320 N/A GLN 227.A N SER 223.A O no hydrogen 3.146 N/A GLN 227.A NE2 TRP 216.A O no hydrogen 2.991 N/A LYS 228.A N PRO 224.A O no hydrogen 3.097 N/A ARG 229.A N SER 225.A O no hydrogen 3.204 N/A ARG 229.A NE ASP 105.A OD1 no hydrogen 2.743 N/A ARG 229.A NH2 ASP 105.A OD2 no hydrogen 3.372 N/A LEU 230.A N LEU 226.A O no hydrogen 3.295 N/A GLN 232.A N LYS 228.A O no hydrogen 2.899 N/A LYS 233.A N ARG 229.A O no hydrogen 2.622 N/A TYR 234.A N LEU 230.A O no hydrogen 3.113 N/A TYR 234.A OH HIS 115.A ND1 no hydrogen 2.589 N/A GLY 235.A N PHE 231.A O no hydrogen 3.068 N/A ILE 236.A N PHE 231.A O no hydrogen 3.098 N/A ASP 240.A N TYR 209.A OH no hydrogen 2.837 N/A ASN 242.A ND2 LEU 168.A O no hydrogen 3.157 N/A LYS 243.A N ASP 240.A OD1 no hydrogen 3.089 N/A LYS 243.A NZ SER 172.A O no hydrogen 3.323 N/A LYS 243.A NZ ASP 207.A OD2 no hydrogen 3.194 N/A LEU 244.A N ASP 240.A O no hydrogen 2.893 N/A GLN 245.A N MET 241.A O no hydrogen 2.933 N/A PHE 246.A N ASN 242.A O no hydrogen 2.989 N/A HIS 247.A N LYS 243.A O no hydrogen 3.070 N/A HIS 247.A ND1 LYS 243.A O no hydrogen 2.876 N/A LEU 248.A N LEU 244.A O no hydrogen 3.058 N/A MET 249.A N GLN 245.A O no hydrogen 3.009 N/A LEU 250.A N PHE 246.A O no hydrogen 2.951 N/A ASP 251.A N HIS 247.A O no hydrogen 2.963 N/A PHE 253.A N LEU 250.A O no hydrogen 3.381 N/A PHE 254.A N ASP 251.A O no hydrogen 2.943 N/A