Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 49.A O no hydrogen 2.889 N/A VAL 6.A N ASP 83.A OD2 no hydrogen 2.870 N/A VAL 7.A N LYS 51.A O no hydrogen 2.878 N/A THR 8.A N ILE 84.A O no hydrogen 2.808 N/A THR 8.A OG1 GLU 76.A OE1 no hydrogen 2.762 N/A THR 9.A N THR 53.A O no hydrogen 2.934 N/A THR 9.A OG1 ILE 86.A O no hydrogen 2.677 N/A ILE 10.A N THR 9.A OG1 no hydrogen 2.853 N/A GLU 12.A N VAL 16.A O no hydrogen 3.225 N/A TYR 15.A N GLU 12.A O no hydrogen 2.814 N/A VAL 16.A N GLU 12.A O no hydrogen 3.050 N/A MET 17.A N GLU 32.A O no hydrogen 2.764 N/A LYS 19.A N ARG 30.A O no hydrogen 2.895 N/A LYS 19.A NZ GLU 29.A O no hydrogen 2.975 N/A HIS 22.A N LYS 19.A O no hydrogen 3.031 N/A MET 24.A N ASN 21.A O no hydrogen 3.012 N/A LEU 25.A N HIS 22.A O no hydrogen 2.870 N/A ASN 28.A ND2 TYR 50.A O no hydrogen 2.943 N/A GLU 29.A N GLU 26.A O no hydrogen 3.244 N/A ARG 30.A N GLY 27.A O no hydrogen 2.969 N/A ARG 30.A NE GLY 27.A O no hydrogen 2.819 N/A TYR 31.A N ASN 28.A O no hydrogen 3.253 N/A GLU 32.A N MET 17.A O no hydrogen 2.871 N/A TYR 34.A N PRO 14.A O no hydrogen 2.866 N/A CYS 35.A N TYR 15.A O no hydrogen 2.803 N/A ASP 37.A N GLY 33.A O no hydrogen 3.006 N/A LEU 38.A N TYR 34.A O no hydrogen 2.888 N/A ALA 39.A N CYS 35.A O no hydrogen 2.884 N/A ALA 40.A N VAL 36.A O no hydrogen 3.012 N/A GLU 41.A N ASP 37.A O no hydrogen 2.961 N/A ILE 42.A N LEU 38.A O no hydrogen 2.915 N/A ALA 43.A N ALA 39.A O no hydrogen 2.919 N/A LYS 44.A N ALA 40.A O no hydrogen 2.933 N/A HIS 45.A N GLU 41.A O no hydrogen 2.957 N/A CYS 46.A N ALA 43.A O no hydrogen 3.337 N/A CYS 46.A SG ILE 42.A O no hydrogen 3.376 N/A PHE 48.A N ALA 43.A O no hydrogen 3.152 N/A LYS 51.A N VAL 5.A O no hydrogen 2.813 N/A LEU 52.A N ASN 28.A OD1 no hydrogen 2.789 N/A THR 53.A N VAL 7.A O no hydrogen 2.848 N/A THR 53.A OG1 VAL 7.A O no hydrogen 2.782 N/A VAL 55.A N THR 9.A O no hydrogen 2.833 N/A GLY 56.A N GLU 76.A OE2 no hydrogen 3.151 N/A GLY 58.A N VAL 55.A O no hydrogen 3.130 N/A LYS 59.A N ASP 57.A OD2 no hydrogen 3.011 N/A TYR 60.A OH GLU 12.A OE2 no hydrogen 2.627 N/A ALA 62.A N ASN 71.A OD1 no hydrogen 2.805 N/A ASP 64.A N ILE 69.A O no hydrogen 2.966 N/A ASP 66.A N ASP 64.A OD1 no hydrogen 2.843 N/A THR 67.A N ASP 64.A OD1 no hydrogen 2.916 N/A LYS 68.A N ASP 64.A O no hydrogen 2.848 N/A LYS 68.A NZ ALA 65.A O no hydrogen 3.036 N/A ILE 69.A N THR 67.A OG1 no hydrogen 3.217 N/A TRP 70.A N TYR 79.A OH no hydrogen 3.078 N/A ASN 71.A N ALA 62.A O no hydrogen 2.809 N/A GLY 72.A N ASP 57.A OD1 no hydrogen 2.831 N/A MET 73.A N LYS 59.A O no hydrogen 3.131 N/A VAL 74.A N TYR 60.A O no hydrogen 3.232 N/A GLY 75.A N ASN 71.A O no hydrogen 2.924 N/A GLU 76.A N GLY 72.A O no hydrogen 2.959 N/A LEU 77.A N MET 73.A O no hydrogen 2.994 N/A VAL 78.A N VAL 74.A O no hydrogen 2.876 N/A TYR 79.A N GLY 75.A O no hydrogen 2.921 N/A GLY 80.A N LEU 77.A O no hydrogen 3.123 N/A LYS 81.A N GLU 76.A O no hydrogen 2.822 N/A ALA 82.A N GLU 76.A O no hydrogen 3.093 N/A ASP 83.A N VAL 6.A O no hydrogen 2.798 N/A ILE 84.A N VAL 6.A O no hydrogen 3.280 N/A ALA 85.A N ALA 222.A O no hydrogen 2.802 N/A ILE 86.A N THR 8.A O no hydrogen 3.141 N/A LEU 89.A N ALA 87.A O no hydrogen 2.749 N/A THR 90.A OG1 SER 141.A OG no hydrogen 3.134 N/A THR 90.A OG1 GLU 192.A OE2 no hydrogen 2.843 N/A ILE 91.A N GLY 218.A O no hydrogen 3.008 N/A ARG 95.A N THR 92.A OG1 no hydrogen 3.285 N/A ARG 95.A NE GLY 61.A O no hydrogen 3.124 N/A ARG 95.A NH1 THR 90.A O no hydrogen 2.943 N/A ARG 95.A NH2 GLY 61.A O no hydrogen 2.959 N/A GLU 96.A N THR 92.A O no hydrogen 2.883 N/A GLU 97.A N LEU 93.A O no hydrogen 3.093 N/A VAL 98.A N ARG 95.A O no hydrogen 2.889 N/A ILE 99.A N ARG 95.A O no hydrogen 2.905 N/A ASP 100.A N THR 223.A O no hydrogen 2.874 N/A PHE 101.A N GLU 96.A OE1 no hydrogen 3.099 N/A SER 102.A N ILE 221.A O no hydrogen 2.846 N/A SER 102.A OG LYS 103.A O no hydrogen 2.725 N/A LYS 103.A N ASN 234.A OD1 no hydrogen 2.854 N/A PHE 105.A N TYR 219.A O no hydrogen 2.862 N/A LEU 108.A N LYS 217.A O no hydrogen 2.970 N/A GLY 109.A N SER 193.A OG no hydrogen 2.993 N/A ILE 110.A N ASP 215.A OD1 no hydrogen 2.782 N/A SER 111.A N LEU 191.A O no hydrogen 2.857 N/A SER 111.A OG LEU 191.A O no hydrogen 2.715 N/A MET 113.A N TYR 189.A O no hydrogen 2.831 N/A ILE 114.A N MET 208.A O no hydrogen 2.909 N/A LYS 115.A NZ ARG 181.A O no hydrogen 3.318 N/A LYS 116.A N ASP 206.A O no hydrogen 2.927 N/A LYS 116.A NZ CYS 205.A O no hydrogen 2.819 N/A THR 118.A N LYS 115.A O no hydrogen 3.044 N/A THR 118.A OG1 LYS 115.A O no hydrogen 2.716 N/A ILE 120.A N THR 118.A O no hydrogen 2.801 N/A GLU 121.A N ASP 125.A OD1 no hydrogen 2.810 N/A ASP 125.A N SER 122.A OG no hydrogen 3.037 N/A LEU 126.A N SER 122.A O no hydrogen 3.171 N/A SER 127.A N ALA 123.A O no hydrogen 2.911 N/A SER 127.A OG GLU 124.A O no hydrogen 2.723 N/A LYS 128.A N GLU 124.A O no hydrogen 3.058 N/A LYS 128.A N ASP 125.A O no hydrogen 3.305 N/A GLN 129.A N LEU 126.A O no hydrogen 3.364 N/A GLN 129.A NE2 LEU 126.A O no hydrogen 3.020 N/A GLN 129.A NE2 ILE 132.A O no hydrogen 2.989 N/A ILE 132.A N GLN 129.A OE1 no hydrogen 2.746 N/A ALA 133.A N LYS 186.A O no hydrogen 2.843 N/A GLY 135.A N ALA 188.A O no hydrogen 3.224 N/A THR 136.A OG1 LEU 137.A O no hydrogen 2.792 N/A ASP 138.A N VAL 170.A O no hydrogen 2.760 N/A SER 141.A OG THR 90.A OG1 no hydrogen 3.134 N/A LYS 143.A NZ ASP 138.A O no hydrogen 3.021 N/A LYS 143.A NZ ASP 138.A OD1 no hydrogen 2.949 N/A GLU 144.A N GLY 140.A O no hydrogen 3.137 N/A PHE 145.A N SER 141.A O no hydrogen 2.901 N/A PHE 146.A N THR 142.A O no hydrogen 3.080 N/A ARG 147.A N LYS 143.A O no hydrogen 2.898 N/A ARG 147.A NE GLU 144.A OE1 no hydrogen 2.907 N/A ARG 147.A NE GLU 144.A OE2 no hydrogen 3.230 N/A ARG 147.A NH2 GLU 144.A OE2 no hydrogen 2.646 N/A ARG 148.A N GLU 144.A O no hydrogen 2.941 N/A SER 149.A N PHE 146.A O no hydrogen 3.361 N/A ILE 151.A N SER 149.A OG no hydrogen 3.152 N/A ASP 155.A N ILE 151.A O no hydrogen 2.772 N/A LYS 156.A N ALA 152.A O no hydrogen 2.918 N/A LYS 156.A NZ SER 127.A O no hydrogen 3.328 N/A MET 157.A N VAL 153.A O no hydrogen 2.941 N/A TRP 158.A N PHE 154.A O no hydrogen 2.890 N/A THR 159.A N ASP 155.A O no hydrogen 2.893 N/A THR 159.A OG1 ASP 155.A O no hydrogen 2.898 N/A TYR 160.A N LYS 156.A O no hydrogen 3.053 N/A MET 161.A N MET 157.A O no hydrogen 2.875 N/A ARG 162.A N TRP 158.A O no hydrogen 2.910 N/A SER 163.A N TYR 160.A O no hydrogen 3.408 N/A SER 163.A OG THR 159.A O no hydrogen 3.527 N/A ALA 164.A N MET 161.A O no hydrogen 3.296 N/A PHE 169.A N SER 167.A OG no hydrogen 3.052 N/A VAL 170.A N THR 136.A O no hydrogen 3.097 N/A ARG 171.A N GLU 175.A OE1 no hydrogen 3.084 N/A THR 173.A OG1 GLU 12.A OE1 no hydrogen 2.642 N/A THR 173.A OG1 GLU 12.A OE2 no hydrogen 3.374 N/A GLU 175.A N THR 172.A OG1 no hydrogen 3.068 N/A GLY 176.A N THR 172.A O no hydrogen 3.125 N/A VAL 177.A N THR 173.A O no hydrogen 2.899 N/A ALA 178.A N ALA 174.A O no hydrogen 2.911 N/A ARG 179.A N GLU 175.A O no hydrogen 2.918 N/A ARG 179.A NH1 SER 167.A O no hydrogen 3.119 N/A ARG 179.A NH2 SER 167.A O no hydrogen 2.800 N/A VAL 180.A N GLY 176.A O no hydrogen 2.933 N/A ARG 181.A N VAL 177.A O no hydrogen 2.896 N/A ARG 181.A NE ASP 206.A OD1 no hydrogen 2.861 N/A LYS 182.A N ALA 178.A O no hydrogen 2.818 N/A SER 183.A OG ARG 179.A O no hydrogen 2.523 N/A LYS 186.A N SER 183.A O no hydrogen 2.967 N/A LYS 186.A NZ GLU 131.A OE2 no hydrogen 2.962 N/A TYR 187.A OH VAL 168.A O no hydrogen 2.670 N/A ALA 188.A N ALA 133.A O no hydrogen 2.863 N/A TYR 189.A N MET 113.A O no hydrogen 2.975 N/A LEU 190.A N GLY 135.A O no hydrogen 2.863 N/A LEU 191.A N SER 111.A O no hydrogen 3.009 N/A SER 193.A N GLY 109.A O no hydrogen 2.755 N/A SER 193.A OG GLY 109.A O no hydrogen 3.209 N/A THR 194.A OG1 TYR 15.A OH no hydrogen 3.182 N/A THR 194.A OG1 TYR 219.A OH no hydrogen 2.773 N/A ASN 196.A N GLU 192.A O no hydrogen 3.010 N/A ASN 196.A ND2 SER 111.A OG no hydrogen 3.042 N/A ASN 196.A ND2 ILE 112.A O no hydrogen 3.042 N/A GLU 197.A N SER 193.A O no hydrogen 2.822 N/A TYR 198.A N THR 194.A O no hydrogen 3.041 N/A ILE 199.A N MET 195.A O no hydrogen 2.934 N/A GLU 200.A N ASN 196.A O no hydrogen 2.931 N/A GLN 201.A N TYR 198.A O no hydrogen 3.022 N/A ARG 202.A N ILE 199.A O no hydrogen 2.958 N/A LYS 203.A N GLU 259.A OE2 no hydrogen 2.839 N/A CYS 205.A N ARG 202.A O no hydrogen 2.853 N/A CYS 205.A SG ARG 202.A O no hydrogen 3.799 N/A CYS 205.A SG GLU 259.A O no hydrogen 3.630 N/A MET 208.A N ILE 114.A O no hydrogen 2.888 N/A LYS 209.A N GLU 200.A OE1 no hydrogen 2.981 N/A LYS 209.A NZ GLY 211.A O no hydrogen 3.276 N/A LYS 209.A NZ ASN 213.A OD1 no hydrogen 2.700 N/A VAL 210.A N ILE 112.A O no hydrogen 3.009 N/A LEU 214.A N ILE 110.A O no hydrogen 2.761 N/A LYS 217.A N LEU 108.A O no hydrogen 2.878 N/A LYS 217.A NZ ASP 215.A OD2 no hydrogen 2.722 N/A TYR 219.A N MET 106.A O no hydrogen 2.963 N/A TYR 219.A OH GLU 192.A OE1 no hydrogen 2.710 N/A TYR 219.A OH THR 194.A OG1 no hydrogen 2.773 N/A GLY 220.A N LEU 89.A O no hydrogen 3.090 N/A ILE 221.A N SER 102.A OG no hydrogen 2.952 N/A ALA 222.A N ALA 85.A O no hydrogen 3.117 N/A THR 223.A N ASP 100.A O no hydrogen 2.931 N/A LYS 225.A NZ GLU 97.A O no hydrogen 2.753 N/A GLY 226.A N ASP 100.A OD2 no hydrogen 3.292 N/A SER 227.A N PRO 224.A O no hydrogen 3.065 N/A LEU 229.A N SER 227.A OG no hydrogen 2.953 N/A GLY 230.A N SER 227.A O no hydrogen 3.210 N/A VAL 233.A N LEU 229.A O no hydrogen 2.965 N/A ASN 234.A N GLY 230.A O no hydrogen 2.952 N/A LEU 235.A N THR 231.A O no hydrogen 2.967 N/A ALA 236.A N PRO 232.A O no hydrogen 2.907 N/A VAL 237.A N VAL 233.A O no hydrogen 2.918 N/A LEU 238.A N ASN 234.A O no hydrogen 2.991 N/A LYS 239.A N LEU 235.A O no hydrogen 2.925 N/A LEU 240.A N ALA 236.A O no hydrogen 2.860 N/A SER 241.A N VAL 237.A O no hydrogen 2.933 N/A GLU 242.A N LEU 238.A O no hydrogen 2.942 N/A GLN 243.A N LYS 239.A O no hydrogen 2.860 N/A GLY 244.A N SER 241.A O no hydrogen 3.084 N/A VAL 245.A N LEU 240.A O no hydrogen 3.012 N/A LYS 248.A N GLY 244.A O no hydrogen 3.094 N/A LEU 249.A N VAL 245.A O no hydrogen 2.909 N/A LYS 250.A N LEU 246.A O no hydrogen 2.954 N/A LYS 250.A NZ GLU 197.A OE2 no hydrogen 3.462 N/A ASN 251.A N ASP 247.A O no hydrogen 2.958 N/A LYS 252.A N LYS 248.A O no hydrogen 2.887 N/A LYS 252.A NZ ASP 37.A OD1 no hydrogen 2.741 N/A TRP 253.A N LEU 249.A O no hydrogen 3.011 N/A TRP 253.A NE1 ASP 37.A OD1 no hydrogen 2.770 N/A TRP 254.A N LYS 250.A O no hydrogen 2.920 N/A TRP 254.A NE1 THR 194.A O no hydrogen 2.861 N/A TYR 255.A N ASN 251.A O no hydrogen 3.075 N/A ASP 256.A N ASN 251.A O no hydrogen 2.829 N/A GLY 258.A N TYR 255.A O no hydrogen 3.008 N/A GLU 259.A N GLN 201.A O no hydrogen 2.741 N/A CYS 260.A SG GLU 200.A O no hydrogen 3.469 N/A