Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 108.A OD2 no hydrogen 2.983 N/A TRP 4.A N PRO 1.A O no hydrogen 3.351 N/A ALA 6.A N TYR 3.A O no hydrogen 3.087 N/A THR 7.A N TRP 4.A O no hydrogen 3.208 N/A HIS 15.A N SER 12.A O no hydrogen 3.242 N/A LEU 16.A N PRO 13.A O no hydrogen 3.295 N/A GLN 17.A N SER 14.A O no hydrogen 3.395 N/A LEU 19.A N LEU 16.A O no hydrogen 2.742 N/A PHE 22.A N LEU 19.A O no hydrogen 3.139 N/A THR 23.A OG1 GLU 37.A OE2 no hydrogen 2.781 N/A THR 23.A OG1 SER 38.A OG no hydrogen 3.267 N/A ARG 24.A N GLU 37.A OE2 no hydrogen 3.426 N/A ARG 24.A NH1 ASP 225.A OD1 no hydrogen 3.070 N/A ARG 24.A NH2 PRO 220.A O no hydrogen 3.333 N/A ARG 24.A NH2 ASP 225.A OD1 no hydrogen 3.356 N/A ARG 24.A NH2 ASP 225.A OD2 no hydrogen 2.667 N/A SER 25.A N THR 23.A OG1 no hydrogen 2.999 N/A SER 25.A OG THR 23.A OG1 no hydrogen 3.415 N/A SER 25.A OG THR 35.A OG1 no hydrogen 2.835 N/A SER 25.A OG SER 38.A OG no hydrogen 2.898 N/A VAL 26.A N LEU 33.A O no hydrogen 2.729 N/A LYS 28.A N HIS 31.A O no hydrogen 2.923 N/A LYS 28.A NZ ASN 217.A OD1 no hydrogen 3.494 N/A LYS 28.A NZ TYR 219.A OH no hydrogen 2.655 N/A HIS 31.A ND1 ASP 30.A OD1 no hydrogen 2.933 N/A HIS 31.A NE2 TYR 219.A OH no hydrogen 2.828 N/A ALA 32.A N TRP 228.A O no hydrogen 2.901 N/A LEU 33.A N VAL 26.A O no hydrogen 2.818 N/A ILE 34.A N VAL 226.A O no hydrogen 2.819 N/A THR 35.A N SER 25.A OG no hydrogen 2.960 N/A THR 35.A OG1 SER 25.A OG no hydrogen 2.835 N/A THR 35.A OG1 GLU 37.A OE1 no hydrogen 3.425 N/A THR 35.A OG1 GLU 37.A OE2 no hydrogen 2.628 N/A SER 38.A N THR 35.A O no hydrogen 2.902 N/A SER 38.A OG THR 23.A OG1 no hydrogen 3.267 N/A SER 38.A OG SER 25.A OG no hydrogen 2.898 N/A TYR 41.A OH HIS 39.A ND1 no hydrogen 3.281 N/A SER 42.A N GLY 52.A O no hydrogen 2.960 N/A LEU 44.A N THR 50.A O no hydrogen 2.739 N/A TRP 47.A N LEU 44.A O no hydrogen 3.060 N/A THR 48.A N SER 76.A O no hydrogen 2.757 N/A ASN 49.A ND2 GLU 73.A O no hydrogen 3.284 N/A THR 50.A OG1 THR 48.A O no hydrogen 2.993 N/A LEU 51.A N LYS 70.A O no hydrogen 3.364 N/A GLY 52.A N SER 42.A O no hydrogen 3.059 N/A ALA 53.A N LEU 68.A O no hydrogen 2.974 N/A LEU 55.A N MET 66.A O no hydrogen 2.827 N/A ILE 56.A N MET 66.A O no hydrogen 3.147 N/A ALA 59.A N THR 57.A OG1 no hydrogen 2.961 N/A THR 60.A N THR 57.A O no hydrogen 2.872 N/A THR 60.A OG1 THR 57.A O no hydrogen 2.892 N/A GLY 61.A N PRO 58.A O no hydrogen 2.764 N/A SER 62.A N THR 60.A OG1 no hydrogen 3.305 N/A SER 62.A OG PHE 64.A O no hydrogen 2.687 N/A PHE 64.A N SER 62.A OG no hydrogen 3.345 N/A VAL 65.A N GLU 133.A O no hydrogen 2.958 N/A MET 66.A N ILE 56.A O no hydrogen 2.799 N/A TYR 67.A N VAL 131.A O no hydrogen 3.071 N/A TYR 67.A OH GLU 133.A OE2 no hydrogen 2.557 N/A LEU 68.A N ALA 53.A O no hydrogen 3.014 N/A ALA 69.A N LEU 129.A O no hydrogen 2.766 N/A LYS 70.A N LEU 51.A O no hydrogen 2.928 N/A MET 71.A N ALA 127.A O no hydrogen 2.799 N/A SER 75.A N CYS 123.A O no hydrogen 3.376 N/A SER 75.A OG LYS 72.A O no hydrogen 2.995 N/A SER 76.A N THR 48.A O no hydrogen 3.160 N/A SER 77.A N LEU 121.A O no hydrogen 2.788 N/A SER 77.A OG LEU 121.A O no hydrogen 3.205 N/A ILE 84.A N PRO 81.A O no hydrogen 3.165 N/A GLU 85.A N ARG 134.A O no hydrogen 2.857 N/A ARG 86.A N LEU 113.A O no hydrogen 3.274 N/A ARG 86.A NE GLU 133.A OE2 no hydrogen 2.673 N/A ARG 86.A NH1 GLY 78.A O no hydrogen 3.040 N/A ARG 86.A NH1 HIS 119.A NE2 no hydrogen 3.391 N/A ARG 86.A NH2 GLY 78.A O no hydrogen 3.200 N/A ARG 86.A NH2 GLU 133.A OE2 no hydrogen 2.779 N/A LEU 87.A N PHE 132.A O no hydrogen 2.712 N/A ILE 88.A N ALA 111.A O no hydrogen 3.127 N/A PHE 89.A N VAL 130.A O no hydrogen 2.916 N/A VAL 90.A N SER 109.A O no hydrogen 2.962 N/A VAL 91.A N THR 128.A O no hydrogen 2.954 N/A ALA 94.A N SER 126.A O no hydrogen 3.449 N/A VAL 95.A N LEU 105.A O no hydrogen 2.954 N/A THR 96.A N ASP 122.A O no hydrogen 2.654 N/A LEU 97.A N LYS 103.A O no hydrogen 2.695 N/A THR 98.A N SER 120.A O no hydrogen 3.101 N/A LYS 103.A N LEU 97.A O no hydrogen 2.940 N/A LYS 103.A NZ SER 100.A O no hydrogen 3.120 N/A LEU 105.A N VAL 95.A O no hydrogen 2.812 N/A THR 106.A OG1 VAL 107.A O no hydrogen 3.518 N/A ASP 108.A N VAL 90.A O no hydrogen 2.966 N/A SER 109.A N THR 106.A O no hydrogen 3.138 N/A TYR 110.A N GLY 149.A O no hydrogen 3.076 N/A TYR 110.A OH LEU 169.A O no hydrogen 2.670 N/A ALA 111.A N ILE 88.A O no hydrogen 3.065 N/A TYR 112.A N ILE 147.A O no hydrogen 2.623 N/A TYR 112.A OH GLU 85.A OE1 no hydrogen 2.493 N/A TYR 112.A OH THR 144.A OG1 no hydrogen 3.352 N/A LEU 113.A N ARG 86.A O no hydrogen 2.865 N/A PHE 117.A N PRO 114.A O no hydrogen 3.000 N/A HIS 119.A ND1 PHE 117.A O no hydrogen 2.923 N/A SER 120.A N THR 98.A O no hydrogen 2.906 N/A SER 120.A OG ASP 122.A OD1 no hydrogen 2.992 N/A SER 120.A OG ASP 122.A OD2 no hydrogen 3.079 N/A LEU 121.A N SER 77.A OG no hydrogen 2.679 N/A ASP 122.A N THR 96.A O no hydrogen 2.827 N/A CYS 123.A N SER 75.A O no hydrogen 3.167 N/A CYS 123.A SG LYS 72.A O no hydrogen 3.909 N/A CYS 123.A SG ALA 94.A O no hydrogen 3.583 N/A CYS 123.A SG SER 126.A O no hydrogen 3.162 N/A SER 126.A OG GLU 92.A OE1 no hydrogen 3.145 N/A SER 126.A OG GLU 92.A OE2 no hydrogen 3.059 N/A THR 128.A N GLU 92.A O no hydrogen 2.899 N/A LEU 129.A N ALA 69.A O no hydrogen 2.885 N/A VAL 130.A N PHE 89.A O no hydrogen 2.990 N/A VAL 131.A N TYR 67.A O no hydrogen 3.010 N/A PHE 132.A N LEU 87.A O no hydrogen 2.780 N/A GLU 133.A N VAL 65.A O no hydrogen 3.379 N/A ARG 134.A N GLU 85.A O no hydrogen 3.078 N/A ARG 134.A NH1 ASP 177.A O no hydrogen 2.502 N/A TYR 136.A N ASP 83.A O no hydrogen 3.202 N/A TYR 136.A OH ALA 175.A O no hydrogen 3.179 N/A GLU 137.A N ASP 177.A OD2 no hydrogen 3.097 N/A HIS 142.A N LEU 139.A O no hydrogen 3.028 N/A THR 144.A OG1 TYR 112.A OH no hydrogen 3.352 N/A GLU 145.A N TYR 176.A OH no hydrogen 3.468 N/A ILE 147.A N TYR 112.A O no hydrogen 3.148 N/A GLY 149.A N TYR 110.A O no hydrogen 3.063 N/A THR 151.A N ASP 108.A O no hydrogen 3.376 N/A THR 151.A OG1 ASP 108.A OD2 no hydrogen 2.744 N/A LYS 153.A N SER 150.A O no hydrogen 2.863 N/A GLN 154.A N THR 151.A O no hydrogen 2.630 N/A GLN 154.A NE2 SER 150.A O no hydrogen 3.623 N/A LEU 157.A N LEU 166.A O no hydrogen 2.742 N/A THR 159.A OG1 GLU 162.A O no hydrogen 3.182 N/A GLU 162.A N THR 159.A O no hydrogen 2.859 N/A GLU 165.A N ASP 184.A O no hydrogen 2.932 N/A ARG 167.A N THR 182.A O no hydrogen 2.973 N/A ARG 167.A NE GLN 154.A O no hydrogen 3.280 N/A LEU 169.A N ILE 180.A O no hydrogen 2.808 N/A LEU 170.A N ASN 179.A OD1 no hydrogen 2.975 N/A ALA 175.A N SER 173.A OG no hydrogen 3.308 N/A TYR 176.A N SER 173.A O no hydrogen 3.095 N/A ASN 179.A N LYS 251.A O no hydrogen 2.832 N/A ASN 179.A ND2 LEU 170.A O no hydrogen 3.051 N/A ILE 180.A N ASN 179.A OD1 no hydrogen 2.651 N/A HIS 181.A N LEU 249.A O no hydrogen 2.754 N/A THR 182.A N ARG 167.A O no hydrogen 2.857 N/A MET 183.A N TYR 247.A O no hydrogen 3.244 N/A ASP 184.A N GLU 165.A O no hydrogen 3.054 N/A PHE 185.A N SER 245.A O no hydrogen 2.878 N/A GLN 186.A N GLU 189.A OE1 no hydrogen 3.034 N/A GLY 188.A N ALA 239.A O no hydrogen 2.681 N/A GLU 189.A N GLN 186.A O no hydrogen 2.913 N/A LEU 191.A N TYR 237.A O no hydrogen 3.199 N/A ASN 192.A N GLU 162.A OE1 no hydrogen 3.114 N/A ASN 192.A ND2 GLY 161.A O no hydrogen 2.970 N/A LYS 194.A NZ ASN 192.A O no hydrogen 2.432 N/A HIS 197.A NE2 GLU 195.A OE1 no hydrogen 3.215 N/A GLN 200.A N ASP 252.A OD1 no hydrogen 2.809 N/A HIS 201.A N MET 229.A O no hydrogen 2.683 N/A HIS 201.A ND1 TYR 250.A O no hydrogen 2.809 N/A LEU 203.A N ILE 227.A O no hydrogen 2.744 N/A LEU 204.A N LEU 248.A O no hydrogen 3.026 N/A LEU 205.A N ASP 225.A O no hydrogen 3.077 N/A LEU 206.A N ARG 246.A O no hydrogen 2.764 N/A GLU 207.A N ARG 246.A O no hydrogen 3.007 N/A GLY 210.A N VAL 221.A O no hydrogen 3.002 N/A ILE 211.A N ALA 238.A O no hydrogen 3.149 N/A TYR 212.A N TYR 219.A O no hydrogen 2.940 N/A ARG 213.A N TRP 236.A O no hydrogen 2.839 N/A ARG 213.A NE GLY 215.A O no hydrogen 2.737 N/A ARG 213.A NH2 GLY 215.A O no hydrogen 2.962 N/A LEU 214.A N ASN 217.A O no hydrogen 2.871 N/A GLY 215.A N PRO 234.A O no hydrogen 2.916 N/A ASN 217.A N LEU 214.A O no hydrogen 2.801 N/A ASN 217.A ND2 LEU 214.A O no hydrogen 3.566 N/A TYR 219.A N TYR 212.A O no hydrogen 2.879 N/A TYR 219.A OH HIS 31.A NE2 no hydrogen 2.828 N/A VAL 221.A N GLY 210.A O no hydrogen 2.768 N/A GLN 222.A N ASP 225.A OD2 no hydrogen 2.655 N/A GLY 224.A N LEU 205.A O no hydrogen 2.744 N/A ASP 225.A N GLN 222.A O no hydrogen 3.051 N/A VAL 226.A N ILE 34.A O no hydrogen 2.954 N/A ILE 227.A N LEU 203.A O no hydrogen 2.947 N/A TRP 228.A N ALA 32.A O no hydrogen 2.936 N/A MET 229.A N HIS 201.A O no hydrogen 2.850 N/A ALA 230.A N ASP 30.A O no hydrogen 2.907 N/A PHE 232.A N HIS 197.A O no hydrogen 2.642 N/A VAL 233.A N ALA 230.A O no hydrogen 3.184 N/A GLN 235.A N GLU 195.A O no hydrogen 3.254 N/A GLN 235.A NE2 VAL 233.A O no hydrogen 3.053 N/A TRP 236.A N ARG 213.A O no hydrogen 3.103 N/A TYR 237.A OH SER 245.A OG no hydrogen 3.051 N/A ALA 238.A N ILE 211.A O no hydrogen 3.051 N/A ALA 239.A N GLU 189.A O no hydrogen 3.025 N/A LEU 240.A N GLN 209.A O no hydrogen 3.009 N/A THR 243.A OG1 ARG 244.A O no hydrogen 3.188 N/A ARG 244.A NE GLU 207.A OE2 no hydrogen 2.939 N/A SER 245.A N PHE 185.A O no hydrogen 2.926 N/A SER 245.A OG TYR 237.A OH no hydrogen 3.051 N/A ARG 246.A N GLU 207.A O no hydrogen 2.941 N/A ARG 246.A NE TYR 3.A OH no hydrogen 3.302 N/A ARG 246.A NH1 ASP 184.A OD1 no hydrogen 3.284 N/A ARG 246.A NH2 TYR 3.A OH no hydrogen 3.135 N/A TYR 247.A N MET 183.A O no hydrogen 3.141 N/A LEU 248.A N LEU 204.A O no hydrogen 2.847 N/A LEU 249.A N HIS 181.A O no hydrogen 2.772 N/A TYR 250.A N GLY 202.A O no hydrogen 3.064 N/A TYR 250.A OH HIS 63.A NE2 no hydrogen 2.740 N/A LYS 251.A N ASN 179.A O no hydrogen 3.118 N/A ASP 252.A N ASP 252.A OD1 no hydrogen 2.508 N/A VAL 253.A N ASP 177.A O no hydrogen 3.258 N/A ASN 254.A ND2 MET 172.A O no hydrogen 3.679 N/A ASN 254.A ND2 TYR 176.A O no hydrogen 2.763 N/A ARG 255.A NE GLU 137.A O no hydrogen 2.886 N/A ARG 255.A NH1 VAL 174.A O no hydrogen 3.022 N/A ARG 255.A NH1 ASN 254.A O no hydrogen 2.626 N/A ARG 255.A NH2 GLU 137.A O no hydrogen 2.913 N/A ARG 255.A NH2 ALA 175.A O no hydrogen 2.994 N/A