Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N LEU 1.A O no hydrogen 3.001 N/A THR 6.A N GLN 9.A OE1 no hydrogen 2.836 N/A GLN 9.A N THR 6.A OG1 no hydrogen 3.355 N/A MET 10.A N THR 6.A O no hydrogen 2.881 N/A VAL 11.A N ALA 7.A O no hydrogen 2.957 N/A SER 12.A N ASP 8.A O no hydrogen 3.227 N/A ALA 13.A N GLN 9.A O no hydrogen 2.931 N/A LEU 14.A N MET 10.A O no hydrogen 3.354 N/A LEU 15.A N VAL 11.A O no hydrogen 2.775 N/A ASP 16.A N SER 12.A O no hydrogen 2.780 N/A ALA 17.A N ALA 13.A O no hydrogen 2.999 N/A GLU 18.A N LEU 15.A O no hydrogen 3.326 N/A SER 24.A N ASN 102.A OD1 no hydrogen 3.079 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 3.026 N/A ARG 30.A N ASP 27.A O no hydrogen 3.095 N/A MET 37.A N SER 33.A O no hydrogen 2.761 N/A MET 38.A N GLU 34.A O no hydrogen 3.267 N/A GLY 39.A N ALA 35.A O no hydrogen 3.118 N/A LEU 40.A N SER 36.A O no hydrogen 3.097 N/A LEU 41.A N MET 37.A O no hydrogen 2.778 N/A THR 42.A N MET 38.A O no hydrogen 2.723 N/A THR 42.A OG1 MET 38.A O no hydrogen 2.644 N/A ASN 43.A N GLY 39.A O no hydrogen 2.773 N/A LEU 44.A N LEU 40.A O no hydrogen 3.207 N/A ALA 45.A N LEU 41.A O no hydrogen 2.975 N/A ASP 46.A N THR 42.A O no hydrogen 2.893 N/A ARG 47.A N ASN 43.A O no hydrogen 2.912 N/A ARG 47.A NH1 TYR 23.A O no hydrogen 3.237 N/A ARG 47.A NH2 TYR 23.A O no hydrogen 2.952 N/A GLU 48.A N LEU 44.A O no hydrogen 2.930 N/A LEU 49.A N ALA 45.A O no hydrogen 2.816 N/A HIS 51.A N ARG 47.A O no hydrogen 3.360 N/A MET 52.A N GLU 48.A O no hydrogen 2.775 N/A ILE 53.A N LEU 49.A O no hydrogen 3.066 N/A TRP 55.A N HIS 51.A O no hydrogen 2.951 N/A ALA 56.A N MET 52.A O no hydrogen 2.812 N/A LYS 57.A N ILE 53.A O no hydrogen 3.404 N/A ARG 58.A N TRP 55.A O no hydrogen 2.537 N/A VAL 59.A N ALA 56.A O no hydrogen 3.072 N/A PHE 62.A N VAL 59.A O no hydrogen 2.922 N/A ASP 64.A N GLY 61.A O no hydrogen 3.118 N/A LEU 65.A N PHE 62.A O no hydrogen 3.173 N/A THR 66.A N GLU 166.A OE2 no hydrogen 3.049 N/A THR 66.A OG1 GLU 166.A OE2 no hydrogen 3.120 N/A GLN 70.A N THR 66.A O no hydrogen 2.817 N/A VAL 71.A N LEU 67.A O no hydrogen 2.962 N/A HIS 72.A N HIS 68.A O no hydrogen 2.914 N/A LEU 73.A N ASP 69.A O no hydrogen 2.878 N/A LEU 74.A N GLN 70.A O no hydrogen 2.965 N/A GLU 75.A N VAL 71.A O no hydrogen 2.866 N/A CYS 76.A SG SER 151.A O no hydrogen 2.836 N/A ALA 77.A N LEU 73.A O no hydrogen 3.197 N/A TRP 78.A N LEU 74.A O no hydrogen 3.162 N/A ILE 81.A N ALA 77.A O no hydrogen 2.926 N/A LEU 82.A N TRP 78.A O no hydrogen 2.951 N/A MET 83.A N LEU 79.A O no hydrogen 3.000 N/A ILE 84.A N GLU 80.A O no hydrogen 2.896 N/A GLY 85.A N ILE 81.A O no hydrogen 3.254 N/A LEU 86.A N LEU 82.A O no hydrogen 2.887 N/A VAL 87.A N MET 83.A O no hydrogen 2.875 N/A TRP 88.A N ILE 84.A O no hydrogen 2.810 N/A ARG 89.A N GLY 85.A O no hydrogen 2.926 N/A ARG 89.A NE LEU 98.A O no hydrogen 3.092 N/A ARG 89.A NH2 PHE 99.A O no hydrogen 3.070 N/A SER 90.A N LEU 86.A O no hydrogen 2.997 N/A SER 90.A OG LEU 86.A O no hydrogen 2.885 N/A MET 91.A N TRP 88.A O no hydrogen 3.224 N/A HIS 93.A N SER 90.A O no hydrogen 3.187 N/A LYS 96.A N HIS 93.A O no hydrogen 2.748 N/A LEU 97.A N LEU 105.A O no hydrogen 2.772 N/A LEU 98.A N SER 90.A OG no hydrogen 2.870 N/A PHE 99.A N LEU 97.A O no hydrogen 2.995 N/A ALA 100.A N LEU 103.A O no hydrogen 3.114 N/A ASN 102.A ND2 SER 24.A O no hydrogen 3.332 N/A LEU 103.A N ALA 100.A O no hydrogen 2.948 N/A LEU 105.A N LEU 97.A O no hydrogen 3.138 N/A GLN 109.A N ASP 106.A OD1 no hydrogen 3.524 N/A GLN 109.A NE2 ASP 106.A OD2 no hydrogen 2.784 N/A GLY 110.A N ARG 107.A O no hydrogen 2.653 N/A LYS 111.A N ASN 108.A O no hydrogen 2.536 N/A LYS 111.A NZ ASN 108.A OD1 no hydrogen 3.080 N/A GLU 114.A N GLU 34.A OE2 no hydrogen 3.487 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.746 N/A ASP 121.A N VAL 117.A O no hydrogen 2.770 N/A MET 122.A N GLU 118.A O no hydrogen 3.275 N/A LEU 123.A N ILE 119.A O no hydrogen 3.125 N/A LEU 124.A N PHE 120.A O no hydrogen 2.600 N/A ALA 125.A N ASP 121.A O no hydrogen 2.615 N/A THR 126.A N MET 122.A O no hydrogen 2.772 N/A THR 126.A OG1 MET 122.A O no hydrogen 2.812 N/A SER 127.A N LEU 123.A O no hydrogen 2.973 N/A SER 127.A OG VAL 87.A O no hydrogen 3.144 N/A SER 128.A N LEU 124.A O no hydrogen 2.758 N/A ARG 129.A N ALA 125.A O no hydrogen 2.850 N/A PHE 130.A N THR 126.A O no hydrogen 2.960 N/A ARG 131.A N SER 127.A O no hydrogen 2.982 N/A ARG 131.A NE MET 91.A O no hydrogen 2.812 N/A MET 132.A N SER 128.A O no hydrogen 2.995 N/A MET 133.A N ARG 129.A O no hydrogen 3.030 N/A MET 133.A N PHE 130.A O no hydrogen 3.363 N/A ASN 134.A N ARG 131.A O no hydrogen 2.712 N/A LEU 135.A N PHE 130.A O no hydrogen 2.942 N/A GLN 136.A N GLU 139.A OE1 no hydrogen 2.832 N/A PHE 140.A N GLN 136.A O no hydrogen 2.761 N/A VAL 141.A N GLY 137.A O no hydrogen 2.984 N/A CYS 142.A N GLU 138.A O no hydrogen 3.452 N/A CYS 142.A SG GLU 138.A O no hydrogen 3.452 N/A LEU 143.A N GLU 139.A O no hydrogen 3.183 N/A LYS 144.A N PHE 140.A O no hydrogen 3.028 N/A SER 145.A N VAL 141.A O no hydrogen 3.162 N/A SER 145.A OG VAL 141.A O no hydrogen 3.492 N/A ILE 146.A N CYS 142.A O no hydrogen 2.907 N/A ILE 147.A N LEU 143.A O no hydrogen 2.955 N/A LEU 148.A N LYS 144.A O no hydrogen 3.098 N/A LEU 149.A N SER 145.A O no hydrogen 3.102 N/A ASN 150.A N ILE 146.A O no hydrogen 2.619 N/A SER 151.A N ILE 147.A O no hydrogen 3.219 N/A SER 151.A OG GLU 80.A OE1 no hydrogen 3.414 N/A SER 151.A OG GLU 80.A OE2 no hydrogen 2.804 N/A SER 151.A OG ILE 147.A O no hydrogen 3.502 N/A THR 155.A N GLY 152.A O no hydrogen 3.303 N/A THR 155.A OG1 HIS 72.A NE2 no hydrogen 3.162 N/A THR 155.A OG1 GLY 152.A O no hydrogen 2.758 N/A SER 163.A N THR 160.A O no hydrogen 3.010 N/A SER 163.A OG LEU 157.A O no hydrogen 3.128 N/A LEU 164.A N THR 160.A O no hydrogen 3.335 N/A GLU 165.A N LEU 161.A O no hydrogen 3.225 N/A GLU 166.A N LYS 162.A O no hydrogen 2.960 N/A LYS 167.A N SER 163.A O no hydrogen 3.032 N/A LYS 167.A NZ SER 158.A OG no hydrogen 3.097 N/A ASP 168.A N LEU 164.A O no hydrogen 2.881 N/A HIS 169.A N GLU 165.A O no hydrogen 3.204 N/A ILE 170.A N GLU 166.A O no hydrogen 3.232 N/A HIS 171.A N LYS 167.A O no hydrogen 3.005 N/A ARG 172.A N ASP 168.A O no hydrogen 2.876 N/A ARG 172.A N HIS 169.A O no hydrogen 3.161 N/A VAL 173.A N HIS 169.A O no hydrogen 3.106 N/A LEU 174.A N ILE 170.A O no hydrogen 3.029 N/A ASP 175.A N HIS 171.A O no hydrogen 2.938 N/A LYS 176.A N ARG 172.A O no hydrogen 2.891 N/A LYS 176.A NZ ASP 179.A OD2 no hydrogen 3.149 N/A ILE 177.A N VAL 173.A O no hydrogen 2.746 N/A THR 178.A N LEU 174.A O no hydrogen 2.933 N/A THR 178.A OG1 LEU 174.A O no hydrogen 3.010 N/A ASP 179.A N ASP 175.A O no hydrogen 2.768 N/A THR 180.A N LYS 176.A O no hydrogen 3.105 N/A THR 180.A OG1 LYS 176.A O no hydrogen 2.732 N/A LEU 181.A N ILE 177.A O no hydrogen 2.932 N/A ILE 182.A N THR 178.A O no hydrogen 2.938 N/A HIS 183.A N ASP 179.A O no hydrogen 2.950 N/A LEU 184.A N THR 180.A O no hydrogen 2.924 N/A MET 185.A N LEU 181.A O no hydrogen 3.099 N/A ALA 186.A N ILE 182.A O no hydrogen 2.782 N/A LYS 187.A N HIS 183.A O no hydrogen 2.792 N/A LYS 187.A NZ ASP 8.A OD1 no hydrogen 2.865 N/A ALA 188.A N LEU 184.A O no hydrogen 3.010 N/A GLY 189.A N ALA 186.A O no hydrogen 2.618 N/A LEU 190.A N MET 185.A O no hydrogen 3.077 N/A THR 191.A N GLN 194.A OE1 no hydrogen 2.592 N/A GLN 194.A N THR 191.A OG1 no hydrogen 3.332 N/A GLN 195.A N THR 191.A O no hydrogen 2.853 N/A GLN 195.A NE2 LEU 190.A O no hydrogen 3.199 N/A HIS 196.A N.A LEU 192.A O no hydrogen 3.117 N/A HIS 196.A N.B LEU 192.A O no hydrogen 3.133 N/A GLU 197.A N GLN 193.A O no hydrogen 2.934 N/A ARG 198.A N GLN 194.A O no hydrogen 2.771 N/A ARG 198.A N GLN 195.A O no hydrogen 3.045 N/A ARG 198.A NE GLU 139.A OE2 no hydrogen 2.424 N/A ARG 198.A NH1 MET 133.A O no hydrogen 2.931 N/A ARG 198.A NH2 MET 133.A O no hydrogen 2.967 N/A ARG 198.A NH2 ASN 134.A O no hydrogen 3.277 N/A ARG 198.A NH2 GLU 139.A OE1 no hydrogen 2.409 N/A ARG 198.A NH2 GLU 139.A OE2 no hydrogen 2.917 N/A LEU 199.A N GLN 195.A O no hydrogen 2.922 N/A ALA 200.A N HIS 196.A O.A no hydrogen 2.985 N/A ALA 200.A N HIS 196.A O.B no hydrogen 3.012 N/A GLN 201.A N GLU 197.A O no hydrogen 3.183 N/A LEU 202.A N ARG 198.A O no hydrogen 3.112 N/A LEU 203.A N LEU 199.A O no hydrogen 3.007 N/A LEU 204.A N ALA 200.A O no hydrogen 2.818 N/A ILE 205.A N GLN 201.A O no hydrogen 3.253 N/A ILE 205.A N LEU 202.A O no hydrogen 3.178 N/A LEU 206.A N LEU 202.A O no hydrogen 3.468 N/A SER 207.A N LEU 204.A O no hydrogen 3.314 N/A ILE 209.A N ILE 205.A O no hydrogen 2.886 N/A ARG 210.A N LEU 206.A O no hydrogen 2.982 N/A HIS 211.A N SER 207.A O no hydrogen 3.014 N/A MET 212.A N HIS 208.A O no hydrogen 2.928 N/A SER 213.A N ILE 209.A O no hydrogen 2.933 N/A ASN 214.A N ARG 210.A O no hydrogen 2.997 N/A LYS 215.A N HIS 211.A O no hydrogen 3.006 N/A GLY 216.A N MET 212.A O no hydrogen 2.667 N/A MET 217.A N SER 213.A O no hydrogen 2.717 N/A GLU 218.A N ASN 214.A O no hydrogen 2.943 N/A HIS 219.A N LYS 215.A O no hydrogen 2.895 N/A HIS 219.A NE2 GLU 114.A O no hydrogen 3.066 N/A LEU 220.A N GLY 216.A O no hydrogen 2.688 N/A TYR 221.A N MET 217.A O no hydrogen 3.215 N/A SER 222.A N GLU 218.A O no hydrogen 3.115 N/A SER 222.A OG HIS 219.A O no hydrogen 2.955 N/A MET 223.A N LEU 220.A O no hydrogen 2.905 N/A LYS 224.A N LEU 220.A O no hydrogen 3.227 N/A CYS 225.A N TYR 221.A O no hydrogen 3.154 N/A CYS 225.A N SER 222.A O no hydrogen 3.357 N/A CYS 225.A SG TYR 221.A O no hydrogen 3.101 N/A LYS 226.A N SER 222.A O no hydrogen 3.177 N/A LYS 226.A NZ GLU 114.A OE1 no hydrogen 3.284 N/A LEU 235.A N LEU 231.A O no hydrogen 3.061 N/A LEU 236.A N TYR 232.A O no hydrogen 3.231 N/A GLU 237.A N ASP 233.A O no hydrogen 3.040 N/A MET 238.A N LEU 234.A O no hydrogen 3.079 N/A LEU 239.A N LEU 235.A O no hydrogen 3.097 N/A