Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mbl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TRP 206.A O no hydrogen 2.875 N/A ALA 8.A N LEU 204.A O no hydrogen 2.969 N/A ARG 9.A N ASP 7.A OD1 no hydrogen 2.909 N/A ARG 9.A NE ASP 7.A OD1 no hydrogen 3.022 N/A ARG 9.A NE ASP 7.A OD2 no hydrogen 3.343 N/A ARG 9.A NH2 ASP 7.A OD2 no hydrogen 2.861 N/A GLU 10.A N ASP 7.A O no hydrogen 2.900 N/A GLN 11.A N ASP 7.A O no hydrogen 2.991 N/A TRP 12.A N ALA 8.A O no hydrogen 3.043 N/A CYS 15.A N TRP 12.A O no hydrogen 3.092 N/A THR 17.A OG1 ASP 40.A OD1 no hydrogen 2.802 N/A ILE 18.A N CYS 15.A O no hydrogen 3.285 N/A LYS 19.A N PRO 16.A O no hydrogen 3.178 N/A GLU 20.A N THR 17.A O no hydrogen 3.061 N/A ARG 22.A NH1.A VAL 54.A O no hydrogen 2.995 N/A ARG 22.A NH1.B GLU 20.A O no hydrogen 3.349 N/A ARG 22.A NH2.A VAL 54.A O no hydrogen 3.158 N/A GLN 24.A N SER 220.A O no hydrogen 2.899 N/A GLN 24.A NE2 CYS 27.A O no hydrogen 2.864 N/A GLY 25.A N ASP 23.A OD1 no hydrogen 2.805 N/A SER 26.A OG THR 120.A OG1 no hydrogen 3.344 N/A CYS 27.A SG SER 29.A OG no hydrogen 3.417 N/A CYS 27.A SG TYR 103.A OH no hydrogen 3.896 N/A GLY 28.A N CYS 71.A O no hydrogen 2.742 N/A SER 29.A OG TYR 103.A OH no hydrogen 3.089 N/A TRP 30.A NE1 GLY 70.A O no hydrogen 2.958 N/A ALA 31.A N SER 29.A O no hydrogen 2.916 N/A PHE 32.A N SER 29.A O no hydrogen 3.093 N/A VAL 35.A N ALA 31.A O no hydrogen 2.948 N/A GLU 36.A N PHE 32.A O no hydrogen 2.954 N/A ALA 37.A N GLY 33.A O no hydrogen 3.232 N/A ILE 38.A N ALA 34.A O no hydrogen 2.843 N/A SER 39.A N VAL 35.A O no hydrogen 2.824 N/A SER 39.A OG VAL 35.A O no hydrogen 2.732 N/A ASP 40.A N GLU 36.A O no hydrogen 3.059 N/A ARG 41.A N ALA 37.A O no hydrogen 2.856 N/A ARG 41.A NE PRO 169.A O no hydrogen 2.858 N/A ARG 41.A NH1 TYR 151.A OH no hydrogen 3.472 N/A ARG 41.A NH1 GLU 163.A OE2 no hydrogen 3.112 N/A ARG 41.A NH1 GLY 249.A O no hydrogen 2.966 N/A ARG 41.A NH2 GLU 163.A OE2 no hydrogen 2.919 N/A ARG 41.A NH2 GLY 168.A O no hydrogen 2.813 N/A ARG 41.A NH2 PRO 169.A O no hydrogen 3.517 N/A ILE 42.A N ILE 38.A O no hydrogen 2.898 N/A CYS 43.A N SER 39.A O no hydrogen 3.339 N/A CYS 43.A SG.A GLN 14.A O no hydrogen 3.972 N/A CYS 43.A SG.B VAL 50.A O no hydrogen 3.519 N/A ILE 44.A N ASP 40.A O no hydrogen 2.953 N/A HIS 45.A N ARG 41.A O no hydrogen 2.857 N/A HIS 45.A NE2 ASN 167.A O no hydrogen 2.860 N/A THR 46.A N ILE 42.A O no hydrogen 3.194 N/A THR 46.A N CYS 43.A O no hydrogen 3.340 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.809 N/A THR 46.A OG1 CYS 43.A O no hydrogen 3.399 N/A THR 46.A OG1 VAL 50.A O no hydrogen 3.446 N/A ASN 47.A N ILE 44.A O no hydrogen 3.244 N/A ALA 48.A N CYS 43.A O no hydrogen 2.811 N/A HIS 49.A N THR 46.A O no hydrogen 2.667 N/A HIS 49.A ND1 THR 46.A O no hydrogen 2.749 N/A VAL 50.A N THR 46.A OG1 no hydrogen 2.992 N/A VAL 54.A N SER 39.A OG no hydrogen 2.830 N/A SER 55.A N VAL 89.A O no hydrogen 2.858 N/A SER 55.A OG ARG 101.A O no hydrogen 2.754 N/A ASP 58.A N SER 55.A OG no hydrogen 2.889 N/A LEU 59.A N SER 55.A O no hydrogen 3.418 N/A LEU 60.A N ALA 56.A O no hydrogen 2.790 N/A THR 61.A N GLU 57.A O no hydrogen 2.959 N/A THR 61.A OG1 GLU 57.A O no hydrogen 2.726 N/A CYS 62.A N ASP 58.A O no hydrogen 3.018 N/A CYS 62.A SG ASP 58.A OD1 no hydrogen 3.862 N/A CYS 62.A SG THR 61.A OG1 no hydrogen 3.773 N/A CYS 62.A SG TYR 140.A OH no hydrogen 3.843 N/A CYS 63.A N LEU 59.A O no hydrogen 3.353 N/A CYS 67.A N GLY 64.A O no hydrogen 2.951 N/A GLY 68.A N SER 65.A O no hydrogen 3.041 N/A ASP 69.A N.A GLY 73.A O no hydrogen 2.810 N/A ASP 69.A N.B GLY 73.A O no hydrogen 2.798 N/A CYS 71.A N THR 125.A OG1 no hydrogen 2.803 N/A CYS 71.A SG ASP 124.A O no hydrogen 3.738 N/A ASN 72.A N ASP 69.A O.A no hydrogen 2.814 N/A ASN 72.A N ASP 69.A O.B no hydrogen 2.797 N/A ASN 72.A ND2 GLU 122.A OE1 no hydrogen 2.912 N/A GLY 73.A N GLY 28.A O no hydrogen 3.192 N/A TYR 75.A N CYS 67.A O no hydrogen 2.764 N/A GLU 78.A N TYR 75.A O no hydrogen 3.203 N/A ALA 79.A N TYR 75.A O no hydrogen 3.119 N/A TRP 80.A N PRO 76.A O no hydrogen 2.984 N/A TRP 80.A NE1 GLU 171.A OE2 no hydrogen 2.884 N/A ASN 81.A N ALA 77.A O no hydrogen 3.088 N/A ASN 81.A ND2 GLU 78.A OE1 no hydrogen 2.937 N/A PHE 82.A N GLU 78.A O no hydrogen 2.779 N/A TRP 83.A N ALA 79.A O no hydrogen 3.201 N/A THR 84.A N TRP 80.A O no hydrogen 3.159 N/A THR 84.A OG1 ASN 81.A O no hydrogen 2.821 N/A THR 84.A OG1 ASN 81.A OD1 no hydrogen 3.473 N/A ARG 85.A N ASN 81.A O no hydrogen 2.942 N/A ARG 85.A N PHE 82.A O no hydrogen 3.099 N/A ARG 85.A NE.B ASN 81.A OD1 no hydrogen 3.064 N/A LYS 86.A N PHE 82.A O no hydrogen 2.735 N/A GLY 87.A N PHE 82.A O no hydrogen 3.098 N/A LEU 88.A N HIS 145.A O no hydrogen 2.848 N/A VAL 89.A N ASP 58.A OD2 no hydrogen 3.006 N/A SER 90.A N ASP 143.A OD2 no hydrogen 2.882 N/A SER 90.A OG TYR 136.A OH no hydrogen 3.350 N/A SER 90.A OG ASP 143.A OD2 no hydrogen 2.709 N/A GLY 91.A N GLU 53.A O no hydrogen 2.777 N/A GLY 92.A N VAL 98.A O no hydrogen 2.895 N/A SER 96.A N LEU 93.A O no hydrogen 3.034 N/A SER 96.A OG LEU 93.A O no hydrogen 2.680 N/A HIS 97.A ND1 GLU 133.A OE2 no hydrogen 3.106 N/A VAL 98.A N SER 96.A OG no hydrogen 3.096 N/A CYS 100.A N SER 90.A OG no hydrogen 3.091 N/A ARG 101.A N SER 90.A O no hydrogen 2.842 N/A ARG 101.A NH1 ASP 58.A OD1 no hydrogen 3.066 N/A ARG 101.A NH2 THR 61.A OG1 no hydrogen 3.013 N/A ARG 101.A NH2 LYS 127.A O no hydrogen 3.297 N/A TYR 103.A N GLY 92.A O no hydrogen 2.946 N/A TYR 103.A OH GLN 24.A O no hydrogen 2.652 N/A TYR 103.A OH SER 29.A OG no hydrogen 3.089 N/A SER 104.A N GLU 57.A OE2 no hydrogen 2.858 N/A SER 104.A OG GLU 57.A OE1 no hydrogen 2.666 N/A SER 104.A OG GLU 57.A OE2 no hydrogen 3.213 N/A CYS 108.A N ASP 23.A OD2 no hydrogen 3.074 N/A CYS 108.A SG SER 26.A OG no hydrogen 3.714 N/A CYS 108.A SG HIS 110.A NE2 no hydrogen 3.514 N/A GLU 109.A N PRO 117.A O no hydrogen 2.835 N/A HIS 110.A NE2 ASP 23.A OD1 no hydrogen 2.704 N/A ARG 116.A N GLU 109.A OE1 no hydrogen 2.963 N/A ARG 116.A NE CYS 108.A O no hydrogen 3.173 N/A ARG 116.A NH2 CYS 108.A O no hydrogen 2.944 N/A ARG 116.A NH2 ASP 224.A OD1 no hydrogen 2.950 N/A ARG 116.A NH2 ASP 224.A OD2 no hydrogen 3.528 N/A CYS 119.A N GLU 109.A O no hydrogen 2.949 N/A CYS 119.A SG.A GLU 109.A O no hydrogen 3.043 N/A CYS 119.A SG.B SER 26.A OG no hydrogen 3.445 N/A CYS 119.A SG.B THR 120.A O no hydrogen 3.421 N/A THR 120.A N SER 26.A OG no hydrogen 2.898 N/A THR 120.A OG1 SER 26.A OG no hydrogen 3.344 N/A THR 120.A OG1 GLY 121.A O.A no hydrogen 3.550 N/A GLY 123.A N SER 26.A O no hydrogen 2.835 N/A ILE 131.A N SER 129.A O no hydrogen 2.890 N/A CYS 132.A SG PRO 138.A O no hydrogen 3.917 N/A GLU 133.A N CYS 100.A O no hydrogen 2.885 N/A TYR 136.A N GLU 133.A O no hydrogen 3.000 N/A TYR 136.A OH ASP 143.A OD1 no hydrogen 2.754 N/A THR 139.A N GLN 142.A OE1 no hydrogen 3.013 N/A THR 139.A OG1 GLN 142.A OE1 no hydrogen 2.835 N/A TYR 140.A OH ASP 58.A OD1 no hydrogen 2.574 N/A GLN 142.A N THR 139.A OG1 no hydrogen 3.246 N/A ASP 143.A N THR 139.A O no hydrogen 2.880 N/A ASP 143.A N TYR 140.A O no hydrogen 3.007 N/A LYS 144.A NZ ASP 58.A OD2 no hydrogen 2.816 N/A LYS 144.A NZ GLY 87.A O no hydrogen 2.939 N/A LYS 144.A NZ TYR 140.A OH no hydrogen 3.091 N/A HIS 145.A N LEU 88.A O no hydrogen 2.784 N/A GLY 147.A N TRP 83.A O no hydrogen 3.002 N/A TYR 148.A N ILE 250.A O no hydrogen 2.710 N/A ASN 149.A N ILE 250.A O no hydrogen 3.383 N/A TYR 151.A N ALA 248.A O no hydrogen 2.859 N/A TYR 151.A OH GLU 163.A OE2 no hydrogen 2.649 N/A VAL 153.A N VAL 246.A O no hydrogen 2.955 N/A ASN 155.A ND2 ASP 238.A OD2 no hydrogen 3.071 N/A ASP 159.A N SER 156.A OG no hydrogen 2.997 N/A ILE 160.A N SER 156.A O no hydrogen 2.941 N/A MET 161.A N GLU 157.A O no hydrogen 2.961 N/A ALA 162.A N LYS 158.A O no hydrogen 3.002 N/A GLU 163.A N ASP 159.A O no hydrogen 2.997 N/A ILE 164.A N ILE 160.A O no hydrogen 3.051 N/A TYR 165.A N MET 161.A O no hydrogen 2.951 N/A LYS 166.A N ALA 162.A O no hydrogen 2.963 N/A ASN 167.A N GLU 163.A O no hydrogen 2.818 N/A ASN 167.A ND2 GLU 163.A OE1 no hydrogen 3.177 N/A ASN 167.A ND2 GLU 163.A OE2 no hydrogen 3.555 N/A GLY 168.A N ILE 164.A O no hydrogen 2.829 N/A VAL 170.A N ILE 203.A O no hydrogen 3.094 N/A GLU 171.A N VAL 247.A O no hydrogen 3.053 N/A GLY 172.A N ILE 201.A O no hydrogen 2.986 N/A PHE 174.A N HIS 199.A O.A no hydrogen 2.986 N/A PHE 174.A N HIS 199.A O.B no hydrogen 2.995 N/A SER 175.A N CYS 240.A O no hydrogen 2.765 N/A VAL 176.A N GLY 197.A O no hydrogen 2.791 N/A SER 178.A N GLU 194.A O no hydrogen 2.843 N/A PHE 180.A N TYR 177.A O no hydrogen 2.958 N/A LEU 181.A N SER 178.A O no hydrogen 3.251 N/A LEU 182.A N ASP 179.A O no hydrogen 3.211 N/A TYR 183.A N PHE 180.A O no hydrogen 2.971 N/A TYR 183.A OH GLY 186.A O no hydrogen 2.608 N/A TYR 188.A N LYS 232.A O no hydrogen 2.788 N/A TYR 188.A OH ASP 179.A OD1 no hydrogen 2.693 N/A HIS 190.A N HIS 239.A NE2 no hydrogen 2.866 N/A HIS 190.A ND1 ASP 179.A OD1 no hydrogen 3.288 N/A VAL 191.A N ASP 179.A OD2 no hydrogen 2.853 N/A THR 192.A N ASP 179.A OD2 no hydrogen 3.171 N/A MET 196.A N VAL 176.A O no hydrogen 2.702 N/A HIS 199.A N.A PHE 174.A O no hydrogen 2.916 N/A HIS 199.A N.B PHE 174.A O no hydrogen 2.927 N/A HIS 199.A ND1.B GLY 197.A O no hydrogen 2.869 N/A HIS 199.A NE2.A ASN 219.A OD1 no hydrogen 2.815 N/A ILE 201.A N GLY 172.A O no hydrogen 2.917 N/A ARG 202.A N ALA 218.A O no hydrogen 3.351 N/A ARG 202.A NE GLU 36.A OE1 no hydrogen 3.549 N/A ARG 202.A NH1 ILE 18.A O no hydrogen 3.080 N/A ARG 202.A NH1 ASP 40.A OD2 no hydrogen 2.719 N/A ARG 202.A NH2 ILE 18.A O no hydrogen 3.095 N/A ILE 203.A N VAL 170.A O no hydrogen 2.902 N/A LEU 204.A N LEU 216.A O no hydrogen 2.923 N/A TRP 206.A N PHE 6.A O no hydrogen 2.853 N/A TRP 206.A NE1 PRO 3.A O no hydrogen 3.079 N/A GLY 207.A N TYR 214.A O no hydrogen 3.034 N/A GLU 209.A N THR 212.A O no hydrogen 3.009 N/A THR 212.A N GLU 209.A O no hydrogen 2.815 N/A THR 212.A OG1 ASN 210.A O no hydrogen 3.248 N/A TYR 214.A N GLY 207.A O no hydrogen 2.847 N/A TRP 215.A N ILE 233.A O no hydrogen 2.857 N/A TRP 215.A NE1 GLU 243.A OE2 no hydrogen 2.729 N/A LEU 216.A N GLY 205.A O no hydrogen 2.888 N/A VAL 217.A N PHE 231.A O no hydrogen 2.906 N/A ALA 218.A N ARG 202.A O no hydrogen 2.805 N/A ASN 219.A N GLY 229.A O no hydrogen 3.101 N/A SER 220.A N ASN 219.A OD1 no hydrogen 2.813 N/A SER 220.A OG GLN 24.A OE1 no hydrogen 2.731 N/A ASN 222.A N ARG 22.A O no hydrogen 3.056 N/A ASN 222.A ND2 ASP 23.A OD2 no hydrogen 2.825 N/A THR 223.A N ASN 222.A OD1 no hydrogen 2.719 N/A THR 223.A OG1 ASN 222.A OD1 no hydrogen 3.366 N/A TRP 225.A NE1 LEU 181.A O no hydrogen 3.055 N/A ASP 227.A N PHE 230.A O no hydrogen 2.970 N/A GLY 229.A N TRP 225.A O no hydrogen 2.869 N/A PHE 230.A N ASP 227.A O no hydrogen 3.043 N/A PHE 231.A N VAL 217.A O no hydrogen 2.862 N/A LYS 232.A N TYR 183.A OH no hydrogen 3.313 N/A LYS 232.A NZ GLU 209.A OE2 no hydrogen 2.949 N/A ILE 233.A N TRP 215.A O no hydrogen 3.110 N/A LEU 234.A N TYR 188.A O no hydrogen 2.978 N/A ARG 235.A N PRO 213.A O no hydrogen 2.948 N/A ARG 235.A NE TYR 214.A O no hydrogen 2.931 N/A ARG 235.A NH1 GLY 207.A O no hydrogen 2.915 N/A ARG 235.A NH2 GLU 157.A OE2 no hydrogen 2.821 N/A GLY 236.A N GLU 243.A OE2 no hydrogen 2.827 N/A ASP 238.A N GLU 243.A OE1 no hydrogen 2.778 N/A CYS 240.A SG SER 175.A O no hydrogen 3.692 N/A GLY 241.A N ASP 238.A O no hydrogen 3.005 N/A ILE 242.A N HIS 239.A O no hydrogen 3.028 N/A GLU 243.A N ASP 238.A OD1 no hydrogen 2.874 N/A SER 244.A N GLY 241.A O no hydrogen 2.930 N/A SER 244.A OG GLY 241.A O no hydrogen 2.639 N/A VAL 247.A N GLU 171.A O no hydrogen 2.904 N/A ALA 248.A N TYR 151.A O no hydrogen 2.999 N/A ILE 250.A N ASN 149.A O no hydrogen 3.175 N/A ILE 250.A N ASN 149.A OD1 no hydrogen 3.026 N/A ARG 252.A N TYR 146.A O no hydrogen 2.995 N/A