Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N GLU 226.A O no hydrogen 2.741 N/A TYR 4.A OH ASP 146.A OD1 no hydrogen 2.519 N/A LYS 5.A NZ ASP 7.A OD1 no hydrogen 2.710 N/A LYS 5.A NZ ASP 7.A OD2 no hydrogen 3.562 N/A TYR 8.A N SER 79.A OG no hydrogen 3.249 N/A GLU 10.A N LYS 77.A O no hydrogen 3.077 N/A CYS 14.A N GLU 51.A O no hydrogen 3.179 N/A ILE 16.A N ARG 53.A O no hydrogen 3.031 N/A ILE 17.A N VAL 84.A O no hydrogen 2.717 N/A ASN 18.A N LYS 55.A O no hydrogen 2.953 N/A ASN 19.A N LEU 86.A O no hydrogen 2.978 N/A ASN 19.A ND2 LEU 58.A O no hydrogen 3.370 N/A ASN 19.A ND2 PHE 95.A O no hydrogen 3.178 N/A LYS 20.A NZ ASP 35.A OD2 no hydrogen 2.560 N/A ASN 21.A N ASP 57.A OD2 no hydrogen 2.719 N/A ASN 21.A ND2 ASP 57.A OD2 no hydrogen 3.303 N/A HIS 23.A N THR 97.A O no hydrogen 3.133 N/A THR 26.A N HIS 23.A O no hydrogen 3.183 N/A THR 26.A OG1 HIS 23.A O no hydrogen 2.852 N/A ARG 31.A N LYS 20.A O no hydrogen 2.782 N/A ARG 31.A NH1 ASN 19.A O no hydrogen 3.234 N/A ARG 31.A NH1 THR 34.A OG1 no hydrogen 2.768 N/A SER 32.A N SER 30.A O no hydrogen 3.005 N/A THR 34.A N ARG 31.A O no hydrogen 3.306 N/A VAL 36.A N GLY 33.A O no hydrogen 3.112 N/A ALA 38.A N THR 34.A O no hydrogen 3.040 N/A ALA 39.A N ASP 35.A O no hydrogen 2.832 N/A ASN 40.A N VAL 36.A O no hydrogen 3.069 N/A LEU 41.A N ASP 37.A O no hydrogen 2.705 N/A ARG 42.A N ALA 38.A O no hydrogen 3.033 N/A ARG 42.A NH1 VAL 52.A O no hydrogen 3.238 N/A ARG 42.A NH1 ASN 54.A OD1 no hydrogen 2.397 N/A GLU 43.A N ALA 39.A O no hydrogen 2.993 N/A THR 44.A N ASN 40.A O no hydrogen 3.389 N/A THR 44.A OG1 ASN 40.A O no hydrogen 2.636 N/A PHE 45.A N LEU 41.A O no hydrogen 2.992 N/A ARG 46.A N ARG 42.A O no hydrogen 3.065 N/A ASN 47.A N GLU 43.A O no hydrogen 3.124 N/A ASN 47.A ND2 GLU 43.A OE2 no hydrogen 3.174 N/A LEU 48.A N THR 44.A O no hydrogen 3.247 N/A LEU 48.A N PHE 45.A O no hydrogen 2.956 N/A LYS 49.A N ARG 46.A O no hydrogen 2.677 N/A LYS 49.A NZ ASN 47.A O no hydrogen 3.368 N/A TYR 50.A N PHE 45.A O no hydrogen 2.907 N/A TYR 50.A OH SER 80.A OG no hydrogen 2.424 N/A GLU 51.A N GLY 12.A O no hydrogen 3.020 N/A ARG 53.A N CYS 14.A O no hydrogen 2.776 N/A ARG 53.A NE GLU 51.A OE1 no hydrogen 3.165 N/A ARG 53.A NH1 GLU 73.A OE2 no hydrogen 2.986 N/A ARG 53.A NH2 GLU 51.A OE1 no hydrogen 3.307 N/A ARG 53.A NH2 GLU 73.A OE1 no hydrogen 3.094 N/A LYS 55.A N ILE 16.A O no hydrogen 3.028 N/A ASP 57.A N ASN 18.A O no hydrogen 3.174 N/A LEU 58.A N ASN 19.A OD1 no hydrogen 2.836 N/A THR 59.A N GLU 62.A OE1 no hydrogen 2.450 N/A THR 59.A OG1 GLU 61.A OE1 no hydrogen 3.327 N/A THR 59.A OG1 GLU 62.A OE1 no hydrogen 3.012 N/A ARG 60.A N ASN 98.A OD1 no hydrogen 2.731 N/A ARG 60.A NE PRO 100.A O no hydrogen 3.093 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.719 N/A GLU 62.A N THR 59.A OG1 no hydrogen 3.106 N/A ILE 63.A N THR 59.A O no hydrogen 2.915 N/A VAL 64.A N ARG 60.A O no hydrogen 3.034 N/A GLU 65.A N GLU 61.A O no hydrogen 2.892 N/A LEU 66.A N GLU 62.A O no hydrogen 2.736 N/A MET 67.A N ILE 63.A O no hydrogen 3.047 N/A ARG 68.A N VAL 64.A O no hydrogen 3.001 N/A ASP 69.A N GLU 65.A O no hydrogen 3.364 N/A VAL 70.A N LEU 66.A O no hydrogen 3.004 N/A SER 71.A N MET 67.A O no hydrogen 2.820 N/A SER 71.A OG MET 67.A O no hydrogen 3.307 N/A SER 71.A OG ARG 68.A O no hydrogen 2.598 N/A LYS 72.A N ASP 69.A O no hydrogen 2.670 N/A GLU 73.A N VAL 70.A O no hydrogen 3.375 N/A HIS 75.A N SER 117.A OG no hydrogen 3.094 N/A HIS 75.A NE2 VAL 70.A O no hydrogen 2.756 N/A SER 76.A OG ASP 74.A OD1 no hydrogen 3.246 N/A SER 76.A OG ASP 74.A OD2 no hydrogen 3.543 N/A ARG 78.A N HIS 75.A O no hydrogen 2.702 N/A ARG 78.A NH1 GLU 73.A OE1 no hydrogen 3.365 N/A ARG 78.A NH1 HIS 75.A ND1 no hydrogen 3.073 N/A ARG 78.A NH2 GLU 51.A OE2 no hydrogen 3.392 N/A SER 79.A N GLU 10.A O no hydrogen 2.889 N/A SER 80.A N MET 11.A O no hydrogen 2.786 N/A SER 80.A OG MET 11.A O no hydrogen 3.314 N/A SER 80.A OG TYR 50.A OH no hydrogen 2.424 N/A PHE 81.A N PRO 122.A O no hydrogen 3.000 N/A VAL 82.A N LEU 13.A O no hydrogen 3.051 N/A CYS 83.A N LEU 124.A O no hydrogen 2.930 N/A VAL 84.A N ILE 15.A O no hydrogen 2.817 N/A LEU 85.A N ILE 126.A O no hydrogen 3.106 N/A LEU 86.A N ILE 17.A O no hydrogen 2.897 N/A SER 87.A N GLN 128.A O no hydrogen 3.251 N/A SER 87.A OG PHE 95.A O no hydrogen 2.760 N/A HIS 88.A NE2 THR 29.A O no hydrogen 2.806 N/A GLU 90.A N ILE 93.A O no hydrogen 3.034 N/A ILE 93.A N GLU 90.A O no hydrogen 2.922 N/A ILE 94.A N VAL 101.A O no hydrogen 3.242 N/A PHE 95.A N HIS 88.A O no hydrogen 2.853 N/A GLY 96.A N GLY 99.A O no hydrogen 2.668 N/A THR 97.A N LEU 58.A O no hydrogen 2.971 N/A THR 97.A OG1 LEU 58.A O no hydrogen 3.175 N/A ASN 98.A ND2 GLU 61.A OE1 no hydrogen 3.023 N/A ASN 98.A ND2 GLU 61.A OE2 no hydrogen 3.442 N/A VAL 101.A N ILE 94.A O no hydrogen 3.008 N/A LEU 103.A N GLY 92.A O no hydrogen 2.858 N/A LYS 105.A N ASP 102.A O no hydrogen 2.740 N/A THR 107.A N LEU 103.A O no hydrogen 2.984 N/A THR 107.A OG1 LEU 103.A O no hydrogen 3.389 N/A THR 107.A OG1 LYS 104.A O no hydrogen 3.292 N/A ASN 108.A N LYS 104.A O no hydrogen 2.895 N/A PHE 110.A N THR 107.A O no hydrogen 2.757 N/A ARG 111.A N ASN 108.A O no hydrogen 3.052 N/A ARG 111.A NE ASP 113.A OD1 no hydrogen 3.013 N/A ARG 111.A NH2 ASP 113.A OD1 no hydrogen 3.000 N/A ARG 111.A NH2 ASP 113.A OD2 no hydrogen 2.533 N/A GLY 112.A N VAL 143.A O no hydrogen 3.089 N/A ARG 114.A N ARG 111.A O no hydrogen 2.689 N/A CYS 115.A N ARG 111.A O no hydrogen 3.289 N/A CYS 115.A SG SER 71.A O no hydrogen 3.391 N/A LEU 118.A N CYS 115.A O no hydrogen 2.717 N/A THR 119.A N ARG 116.A O no hydrogen 3.301 N/A THR 119.A OG1 GLY 112.A O no hydrogen 3.174 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.631 N/A LYS 121.A N LEU 118.A O no hydrogen 3.115 N/A LYS 121.A NZ ARG 78.A O no hydrogen 2.609 N/A LYS 121.A NZ SER 117.A O no hydrogen 3.152 N/A LYS 123.A N ASP 146.A O no hydrogen 2.937 N/A LYS 123.A NZ LEU 118.A O no hydrogen 3.383 N/A LYS 123.A NZ LYS 121.A O no hydrogen 3.167 N/A LYS 123.A NZ ASP 146.A O no hydrogen 3.443 N/A LEU 124.A N PHE 81.A O no hydrogen 2.741 N/A PHE 125.A N LEU 148.A O no hydrogen 2.883 N/A ILE 126.A N CYS 83.A O no hydrogen 3.193 N/A ILE 127.A N ALA 150.A O no hydrogen 2.902 N/A GLN 128.A N LEU 85.A O no hydrogen 3.004 N/A GLN 128.A NE2 SER 159.A OG no hydrogen 2.786 N/A ARG 130.A N TYR 157.A O no hydrogen 2.973 N/A ARG 130.A NE GLU 91.A OE2 no hydrogen 3.352 N/A ARG 130.A NH1 THR 153.A O no hydrogen 2.796 N/A ARG 130.A NH2 GLU 91.A OE2 no hydrogen 3.068 N/A GLU 133.A N GLY 156.A O no hydrogen 3.146 N/A GLY 137.A N ASP 135.A OD1 no hydrogen 2.946 N/A ALA 145.A N PRO 142.A O no hydrogen 3.153 N/A ASP 146.A N MET 222.A O no hydrogen 3.016 N/A LEU 148.A N LYS 123.A O no hydrogen 2.916 N/A TYR 149.A N VAL 220.A O no hydrogen 2.846 N/A ALA 150.A N PHE 125.A O no hydrogen 2.795 N/A TYR 151.A N CYS 218.A O no hydrogen 3.207 N/A SER 152.A N ILE 127.A O no hydrogen 3.046 N/A SER 152.A OG ILE 127.A O no hydrogen 3.386 N/A SER 152.A OG THR 153.A OG1 no hydrogen 3.190 N/A SER 152.A OG SER 159.A OG no hydrogen 2.718 N/A THR 153.A OG1 SER 152.A OG no hydrogen 3.190 N/A THR 153.A OG1 TYR 158.A O no hydrogen 3.003 N/A GLY 156.A N GLU 91.A OE1 no hydrogen 3.196 N/A GLY 156.A N ARG 130.A O no hydrogen 2.928 N/A TYR 157.A N ALA 154.A O no hydrogen 3.135 N/A TYR 158.A N GLU 133.A O no hydrogen 2.918 N/A SER 159.A OG SER 152.A OG no hydrogen 2.718 N/A SER 159.A OG THR 153.A OG1 no hydrogen 3.382 N/A TRP 160.A N GLN 215.A OE1 no hydrogen 2.700 N/A ASN 162.A N GLY 166.A O no hydrogen 3.303 N/A LYS 164.A N ASN 162.A OD1 no hydrogen 2.990 N/A ASP 165.A N ASN 162.A OD1 no hydrogen 2.933 N/A GLY 166.A N ASN 162.A O no hydrogen 2.669 N/A SER 167.A N ASP 37.A OD1 no hydrogen 3.134 N/A SER 167.A N ASP 37.A OD2 no hydrogen 3.007 N/A SER 167.A OG ASP 37.A OD1 no hydrogen 3.316 N/A SER 167.A OG ASP 37.A OD2 no hydrogen 2.915 N/A SER 167.A OG GLN 128.A OE1 no hydrogen 3.562 N/A ILE 170.A N SER 167.A OG no hydrogen 3.131 N/A GLN 171.A N SER 167.A O no hydrogen 2.836 N/A GLN 171.A NE2 GLY 166.A O no hydrogen 3.187 N/A SER 172.A N TRP 168.A O no hydrogen 3.118 N/A SER 172.A OG TRP 168.A O no hydrogen 3.168 N/A LEU 173.A N PHE 169.A O no hydrogen 2.793 N/A CYS 174.A N ILE 170.A O no hydrogen 3.098 N/A CYS 174.A SG ASN 40.A O no hydrogen 3.437 N/A CYS 174.A SG THR 44.A OG1 no hydrogen 3.656 N/A CYS 174.A SG ILE 170.A O no hydrogen 3.431 N/A ALA 175.A N GLN 171.A O no hydrogen 3.181 N/A MET 176.A N SER 172.A O no hydrogen 2.925 N/A MET 176.A N LEU 173.A O no hydrogen 2.956 N/A LEU 177.A N LEU 173.A O no hydrogen 2.695 N/A LYS 178.A N CYS 174.A O no hydrogen 2.875 N/A LYS 178.A NZ LYS 178.A O no hydrogen 3.406 N/A GLN 179.A N ALA 175.A O no hydrogen 3.294 N/A TYR 180.A N LEU 177.A O no hydrogen 3.368 N/A ALA 181.A N LEU 177.A O no hydrogen 3.041 N/A LYS 183.A N TYR 180.A O no hydrogen 2.661 N/A LYS 183.A NZ GLN 179.A O no hydrogen 3.439 N/A LYS 183.A NZ ASP 182.A OD1 no hydrogen 3.225 N/A LEU 184.A N TYR 180.A O no hydrogen 2.949 N/A PHE 186.A N LEU 227.A O no hydrogen 2.985 N/A MET 187.A N GLU 185.A OE2 no hydrogen 3.485 N/A HIS 188.A N GLU 185.A O no hydrogen 2.990 N/A ILE 189.A N GLU 185.A O no hydrogen 3.144 N/A LEU 190.A N PHE 186.A O no hydrogen 2.888 N/A THR 191.A N MET 187.A O no hydrogen 2.965 N/A THR 191.A OG1 MET 187.A O no hydrogen 2.820 N/A ARG 192.A N HIS 188.A O no hydrogen 2.809 N/A VAL 193.A N ILE 189.A O no hydrogen 2.784 N/A ASN 194.A N LEU 190.A O no hydrogen 2.958 N/A ARG 195.A N THR 191.A O no hydrogen 3.136 N/A LYS 196.A N ARG 192.A O no hydrogen 2.956 N/A LYS 196.A NZ GLU 200.A OE1 no hydrogen 2.437 N/A VAL 197.A N VAL 193.A O no hydrogen 2.862 N/A ALA 198.A N ASN 194.A O no hydrogen 2.800 N/A THR 199.A N LYS 196.A O no hydrogen 3.429 N/A THR 199.A OG1 ARG 195.A O no hydrogen 2.798 N/A GLU 200.A N LYS 196.A O no hydrogen 3.003 N/A SER 203.A N LYS 213.A O no hydrogen 2.919 N/A SER 205.A N HIS 211.A ND1 no hydrogen 3.186 N/A SER 205.A OG ASP 207.A O no hydrogen 2.556 N/A ASP 207.A N SER 205.A OG no hydrogen 2.683 N/A THR 209.A N ASP 207.A OD1 no hydrogen 3.079 N/A THR 209.A OG1 ASP 207.A OD1 no hydrogen 3.326 N/A PHE 210.A N ASP 207.A O no hydrogen 2.992 N/A HIS 211.A N ALA 208.A O no hydrogen 2.784 N/A ALA 212.A N SER 203.A O no hydrogen 2.836 N/A LYS 214.A N ASP 135.A O no hydrogen 2.852 N/A LYS 214.A NZ ALA 198.A O no hydrogen 2.764 N/A LYS 214.A NZ PHE 201.A O no hydrogen 3.114 N/A GLN 215.A NE2 SER 152.A O no hydrogen 2.701 N/A CYS 218.A N TYR 151.A O no hydrogen 2.969 N/A VAL 220.A N TYR 149.A O no hydrogen 2.797 N/A MET 222.A N PHE 147.A O no hydrogen 2.674 N/A LEU 223.A N SER 221.A OG no hydrogen 3.314 N/A THR 224.A N TYR 4.A OH no hydrogen 3.222 N/A THR 224.A OG1 ASP 146.A OD1 no hydrogen 2.737 N/A GLU 226.A N ASN 2.A O no hydrogen 3.116 N/A LEU 227.A N GLU 185.A OE2 no hydrogen 2.941 N/A TYR 228.A OH GLU 226.A OE1 no hydrogen 3.016 N/A TYR 230.A OH LYS 183.A O no hydrogen 3.235 N/A