Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 THR 11.A OG1 no hydrogen 2.789 N/A PHE 4.A N VAL 10.A O no hydrogen 2.846 N/A LYS 6.A N ASP 273.A OD1 no hydrogen 3.340 N/A LYS 6.A N ASP 273.A OD2 no hydrogen 2.845 N/A LEU 7.A N ASP 273.A OD1 no hydrogen 2.860 N/A PHE 8.A N ASP 273.A OD1 no hydrogen 2.911 N/A ARG 9.A N ASP 26.A O no hydrogen 2.761 N/A ARG 9.A NH1 LYS 6.A O no hydrogen 2.771 N/A ARG 9.A NH2 ASP 26.A OD2 no hydrogen 3.132 N/A VAL 10.A N PHE 4.A O no hydrogen 2.972 N/A THR 11.A N ILE 24.A O no hydrogen 3.043 N/A THR 11.A OG1 THR 3.A OG1 no hydrogen 2.789 N/A THR 12.A N SER 2.A O no hydrogen 3.223 N/A TYR 13.A N GLY 22.A O no hydrogen 3.014 N/A SER 16.A OG GLU 15.A O no hydrogen 2.613 N/A SER 20.A OG LYS 19.A O no hydrogen 2.663 N/A VAL 21.A N ILE 70.A O no hydrogen 2.972 N/A GLY 22.A N TYR 13.A O no hydrogen 3.006 N/A CYS 23.A N MET 68.A O no hydrogen 3.207 N/A CYS 23.A SG GLY 75.A O no hydrogen 3.959 N/A ILE 24.A N THR 11.A O no hydrogen 2.819 N/A VAL 25.A N ILE 66.A O no hydrogen 2.831 N/A ASP 26.A N ARG 9.A O no hydrogen 2.969 N/A GLY 27.A N ASP 26.A OD1 no hydrogen 3.015 N/A GLY 31.A N THR 61.A O no hydrogen 2.910 N/A LEU 34.A N GLY 59.A O no hydrogen 2.940 N/A THR 35.A N ASP 38.A OD2 no hydrogen 2.697 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.675 N/A ALA 37.A N THR 35.A OG1 no hydrogen 3.380 N/A ASP 38.A N THR 35.A O no hydrogen 2.861 N/A ILE 39.A N GLU 36.A O no hydrogen 3.049 N/A GLN 40.A N GLU 36.A O no hydrogen 3.023 N/A GLN 40.A NE2 ASP 48.A O no hydrogen 3.494 N/A GLN 42.A NE2 GLU 264.A OE1 no hydrogen 2.880 N/A LEU 43.A N ILE 39.A O no hydrogen 3.428 N/A THR 44.A N GLN 40.A O no hydrogen 2.717 N/A THR 44.A OG1 GLN 40.A O no hydrogen 3.408 N/A ARG 45.A N PRO 41.A O no hydrogen 2.945 N/A ARG 45.A NE ASP 129.A OD1 no hydrogen 3.283 N/A ARG 45.A NH1 GLN 42.A OE1 no hydrogen 3.134 N/A ARG 45.A NH2 ASP 129.A OD1 no hydrogen 3.135 N/A ARG 46.A N LEU 43.A O no hydrogen 3.273 N/A ARG 47.A NE ASP 48.A OD2 no hydrogen 3.376 N/A GLU 51.A N MET 69.A O no hydrogen 3.028 N/A ILE 52.A N GLU 36.A OE2 no hydrogen 3.278 N/A GLN 53.A N ALA 67.A O no hydrogen 2.751 N/A GLN 53.A NE2 GLU 51.A OE1 no hydrogen 2.875 N/A SER 54.A OG PRO 65.A O no hydrogen 2.889 N/A GLU 57.A N LYS 60.A O no hydrogen 2.923 N/A THR 61.A N GLY 31.A O no hydrogen 3.137 N/A THR 61.A N MET 32.A O no hydrogen 2.952 N/A THR 61.A OG1 PRO 29.A O no hydrogen 2.643 N/A THR 61.A OG1 MET 32.A O no hydrogen 3.388 N/A LEU 62.A N GLY 55.A O no hydrogen 2.728 N/A ILE 66.A N VAL 25.A O no hydrogen 2.960 N/A ALA 67.A N SER 54.A OG no hydrogen 3.076 N/A MET 68.A N CYS 23.A O no hydrogen 2.972 N/A MET 69.A N GLU 51.A O no hydrogen 3.356 N/A ILE 70.A N VAL 21.A O no hydrogen 2.841 N/A LYS 71.A N ARG 49.A O no hydrogen 3.196 N/A ARG 76.A NH1 SER 192.A OG no hydrogen 2.580 N/A ARG 76.A NH2 SER 192.A O no hydrogen 3.179 N/A VAL 77.A N THR 73.A O no hydrogen 3.004 N/A ALA 78.A N ILE 74.A O no hydrogen 2.936 N/A SER 79.A N GLY 75.A O no hydrogen 2.985 N/A SER 79.A OG GLY 75.A O no hydrogen 3.138 N/A SER 79.A OG ARG 76.A O no hydrogen 3.187 N/A GLY 80.A N ARG 76.A O no hydrogen 2.734 N/A ALA 81.A N VAL 77.A O no hydrogen 2.995 N/A ILE 82.A N ALA 78.A O no hydrogen 3.408 N/A ALA 83.A N SER 79.A O no hydrogen 3.166 N/A GLU 84.A N GLY 80.A O no hydrogen 2.695 N/A LYS 85.A N ALA 81.A O no hydrogen 3.108 N/A LYS 85.A NZ SER 33.A O no hydrogen 2.700 N/A LYS 85.A NZ ASP 38.A OD1 no hydrogen 2.553 N/A LYS 85.A NZ ASP 38.A OD2 no hydrogen 3.283 N/A PHE 86.A N ILE 82.A O no hydrogen 2.937 N/A LEU 87.A N ALA 83.A O no hydrogen 3.188 N/A ALA 88.A N GLU 84.A O no hydrogen 2.811 N/A GLN 89.A N LYS 85.A O no hydrogen 3.053 N/A ASN 90.A N PHE 86.A O no hydrogen 3.233 N/A ASN 90.A ND2 PHE 86.A O no hydrogen 3.328 N/A SER 91.A OG LEU 87.A O no hydrogen 2.117 N/A GLU 94.A N ARG 168.A O no hydrogen 3.221 N/A VAL 96.A N VAL 166.A O no hydrogen 2.890 N/A ALA 97.A N GLU 264.A OE2 no hydrogen 3.167 N/A PHE 98.A N THR 164.A O no hydrogen 2.796 N/A VAL 99.A N ARG 135.A O no hydrogen 3.171 N/A THR 100.A N VAL 162.A O no hydrogen 2.762 N/A THR 100.A OG1 VAL 162.A O no hydrogen 3.356 N/A THR 100.A OG1 THR 164.A OG1 no hydrogen 2.844 N/A GLN 101.A NE2 GLY 103.A O no hydrogen 2.945 N/A ILE 102.A N ILE 105.A O no hydrogen 3.146 N/A GLY 103.A N GLY 160.A O no hydrogen 3.047 N/A GLU 104.A N GLU 148.A OE2 no hydrogen 3.033 N/A ILE 105.A N ILE 102.A O no hydrogen 3.254 N/A MET 107.A N THR 100.A O no hydrogen 2.967 N/A ARG 109.A NH1 GLU 200.A OE2 no hydrogen 2.760 N/A ARG 109.A NH2 GLU 200.A OE2 no hydrogen 3.521 N/A SER 111.A OG ASN 226.A OD1 no hydrogen 2.708 N/A ASP 113.A N ASP 110.A O no hydrogen 3.138 N/A GLU 115.A N ASP 113.A OD1 no hydrogen 2.979 N/A GLN 117.A N ASP 113.A O no hydrogen 3.250 N/A GLN 117.A NE2 SER 111.A O no hydrogen 3.219 N/A GLN 117.A NE2 ASN 225.A O no hydrogen 2.874 N/A HIS 118.A N PRO 114.A O no hydrogen 2.964 N/A LEU 119.A N GLU 115.A O no hydrogen 3.140 N/A LEU 120.A N PHE 116.A O no hydrogen 3.018 N/A ASN 121.A N GLN 117.A O no hydrogen 3.032 N/A THR 122.A N LEU 119.A O no hydrogen 3.203 N/A THR 122.A OG1 HIS 118.A O no hydrogen 2.830 N/A ILE 123.A N LEU 119.A O no hydrogen 2.847 N/A ARG 125.A NE ILE 95.A O no hydrogen 3.261 N/A ARG 125.A NH2 ILE 95.A O no hydrogen 3.041 N/A LYS 127.A N THR 124.A OG1 no hydrogen 3.308 N/A VAL 128.A N THR 124.A O no hydrogen 2.982 N/A ASP 129.A N ARG 125.A O no hydrogen 2.889 N/A SER 130.A N GLU 126.A O no hydrogen 3.085 N/A SER 130.A OG LYS 127.A O no hydrogen 2.695 N/A MET 131.A N VAL 128.A O no hydrogen 3.291 N/A GLY 132.A N ASP 129.A O no hydrogen 2.785 N/A ARG 135.A N GLY 132.A O no hydrogen 2.800 N/A ARG 135.A NE ASP 129.A OD1 no hydrogen 3.249 N/A ARG 135.A NH1 ARG 45.A O no hydrogen 3.162 N/A ARG 135.A NH1 PRO 257.A O no hydrogen 2.926 N/A ARG 135.A NH2 ARG 45.A O no hydrogen 2.916 N/A CYS 136.A SG VAL 99.A O no hydrogen 3.619 N/A CYS 136.A SG ASP 138.A O no hydrogen 4.002 N/A SER 140.A N ASP 138.A OD1 no hydrogen 2.867 N/A SER 140.A OG ASP 138.A OD1 no hydrogen 2.616 N/A SER 140.A OG ASP 138.A OD2 no hydrogen 3.410 N/A VAL 141.A N ASP 138.A O no hydrogen 3.101 N/A ALA 142.A N ASP 138.A O no hydrogen 2.781 N/A MET 145.A N VAL 141.A O no hydrogen 3.026 N/A VAL 146.A N ALA 142.A O no hydrogen 3.013 N/A LYS 147.A N GLY 143.A O no hydrogen 2.830 N/A GLU 148.A N LEU 144.A O no hydrogen 2.783 N/A ILE 149.A N MET 145.A O no hydrogen 2.589 N/A GLU 150.A N VAL 146.A O no hydrogen 2.966 N/A LYS 151.A N LYS 147.A O no hydrogen 2.789 N/A TYR 152.A N GLU 148.A O no hydrogen 3.337 N/A ARG 153.A N ILE 149.A O no hydrogen 3.103 N/A GLY 154.A N GLU 150.A O no hydrogen 2.873 N/A GLY 154.A N LYS 151.A O no hydrogen 2.987 N/A ASN 155.A N LYS 151.A O no hydrogen 3.338 N/A LYS 156.A N ARG 153.A O no hydrogen 3.356 N/A ASP 157.A N TYR 152.A O no hydrogen 2.879 N/A SER 158.A N ASP 157.A OD1 no hydrogen 2.688 N/A SER 158.A OG HIS 251.A ND1 no hydrogen 2.961 N/A GLY 161.A N PHE 246.A O no hydrogen 3.119 N/A VAL 162.A N GLN 101.A O no hydrogen 2.940 N/A VAL 163.A N VAL 244.A O no hydrogen 3.072 N/A THR 164.A N PHE 98.A O no hydrogen 2.732 N/A THR 164.A OG1 THR 100.A OG1 no hydrogen 2.844 N/A THR 164.A OG1 SER 243.A OG no hydrogen 2.551 N/A CYS 165.A N PHE 242.A O no hydrogen 2.975 N/A CYS 165.A SG VAL 96.A O no hydrogen 3.776 N/A CYS 165.A SG VAL 166.A O no hydrogen 3.905 N/A VAL 166.A N VAL 96.A O no hydrogen 2.971 N/A VAL 167.A N ILE 240.A O no hydrogen 2.626 N/A ARG 168.A N GLU 94.A O no hydrogen 3.050 N/A ARG 168.A NE LEU 120.A O no hydrogen 3.406 N/A ARG 168.A NH1 ILE 123.A O no hydrogen 3.018 N/A ARG 168.A NH2 LEU 120.A O no hydrogen 2.738 N/A ARG 168.A NH2 ILE 123.A O no hydrogen 2.639 N/A ASN 169.A ND2 ASN 92.A O no hydrogen 2.642 N/A ASN 169.A ND2 GLU 94.A OE1 no hydrogen 3.392 N/A GLY 173.A N SER 235.A O no hydrogen 2.976 N/A LEU 174.A N SER 235.A OG no hydrogen 2.870 N/A GLU 176.A N ASP 180.A O no hydrogen 3.219 N/A LEU 182.A N GLY 233.A O no hydrogen 3.064 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.652 N/A ALA 184.A N LYS 181.A O no hydrogen 2.845 N/A MET 185.A N LYS 181.A O no hydrogen 3.135 N/A LEU 186.A N LEU 182.A O no hydrogen 2.862 N/A ALA 187.A N GLU 183.A O no hydrogen 2.820 N/A HIS 188.A N ALA 184.A O no hydrogen 2.824 N/A ALA 189.A N MET 185.A O no hydrogen 2.991 N/A MET 190.A N LEU 186.A O no hydrogen 3.109 N/A LEU 191.A N ALA 187.A O no hydrogen 3.042 N/A SER 192.A OG ALA 189.A O no hydrogen 2.742 N/A ILE 193.A N MET 190.A O no hydrogen 3.068 N/A SER 196.A N ILE 193.A O no hydrogen 3.175 N/A SER 196.A OG MET 190.A O no hydrogen 2.875 N/A SER 196.A OG ILE 193.A O no hydrogen 2.692 N/A LYS 197.A N PRO 245.A O no hydrogen 2.942 N/A GLU 200.A N SER 243.A O no hydrogen 2.953 N/A GLY 202.A N TYR 241.A O no hydrogen 3.129 N/A SER 203.A N ASN 226.A O no hydrogen 2.842 N/A SER 203.A OG HIS 215.A NE2 no hydrogen 3.076 N/A SER 203.A OG ASN 226.A O no hydrogen 3.543 N/A GLY 204.A N ILE 201.A O no hydrogen 3.074 N/A PHE 205.A N GLU 200.A OE1 no hydrogen 2.913 N/A GLN 206.A NE2 ARG 109.A O no hydrogen 2.911 N/A GLY 207.A N SER 203.A O no hydrogen 3.050 N/A VAL 208.A N PHE 205.A O no hydrogen 3.189 N/A SER 209.A N GLN 206.A O no hydrogen 3.250 N/A SER 209.A OG GLN 206.A O no hydrogen 3.136 N/A VAL 210.A N GLY 207.A O no hydrogen 3.229 N/A HIS 215.A N PRO 211.A O no hydrogen 3.308 N/A HIS 215.A N GLY 212.A O no hydrogen 2.794 N/A HIS 215.A NE2 SER 203.A OG no hydrogen 3.076 N/A ASN 216.A N GLY 212.A O no hydrogen 3.311 N/A ASN 216.A N SER 213.A O no hydrogen 3.214 N/A ASP 217.A N SER 213.A O no hydrogen 2.981 N/A LYS 223.A N PRO 218.A O no hydrogen 2.768 N/A THR 224.A OG1 SER 111.A O no hydrogen 3.034 N/A ASN 225.A N GLN 117.A OE1 no hydrogen 3.221 N/A ASN 225.A ND2 ASN 239.A O no hydrogen 2.527 N/A ASN 226.A ND2 HIS 215.A O no hydrogen 3.169 N/A SER 227.A OG VAL 230.A O no hydrogen 3.530 N/A GLY 228.A N ASN 225.A OD1 no hydrogen 2.825 N/A GLY 229.A N SER 227.A OG no hydrogen 3.399 N/A GLN 231.A N ILE 234.A O no hydrogen 3.098 N/A ILE 234.A N GLN 231.A O no hydrogen 3.170 N/A SER 235.A N LEU 174.A O no hydrogen 2.767 N/A SER 235.A OG PRO 171.A O no hydrogen 2.736 N/A ASN 236.A N GLY 229.A O no hydrogen 3.037 N/A ASN 236.A ND2 GLN 231.A OE1 no hydrogen 3.433 N/A GLU 238.A N ASN 236.A OD1 no hydrogen 2.921 N/A ASN 239.A ND2 ASN 121.A OD1 no hydrogen 2.543 N/A ILE 240.A N VAL 167.A O no hydrogen 2.867 N/A TYR 241.A OH ASN 225.A O no hydrogen 2.354 N/A PHE 242.A N CYS 165.A O no hydrogen 3.000 N/A SER 243.A N GLU 200.A O no hydrogen 2.792 N/A SER 243.A OG THR 164.A OG1 no hydrogen 2.551 N/A VAL 244.A N VAL 163.A O no hydrogen 2.931 N/A PHE 246.A N GLY 161.A O no hydrogen 2.796 N/A LYS 247.A N ALA 195.A O no hydrogen 2.907 N/A ARG 258.A N VAL 255.A O no hydrogen 3.237 N/A ALA 259.A N VAL 255.A O no hydrogen 3.296 N/A ALA 259.A N THR 256.A O no hydrogen 3.112 N/A VAL 263.A N ALA 259.A O no hydrogen 2.730 N/A GLU 264.A N ILE 260.A O no hydrogen 2.980 N/A ALA 265.A N PRO 261.A O no hydrogen 2.977 N/A MET 266.A N ILE 262.A O no hydrogen 3.070 N/A THR 267.A N VAL 263.A O no hydrogen 3.006 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.613 N/A ALA 268.A N GLU 264.A O no hydrogen 2.776 N/A LEU 269.A N ALA 265.A O no hydrogen 3.108 N/A VAL 270.A N MET 266.A O no hydrogen 3.026 N/A LEU 271.A N THR 267.A O no hydrogen 2.929 N/A ALA 272.A N ALA 268.A O no hydrogen 2.841 N/A ASP 273.A N LEU 269.A O no hydrogen 2.980 N/A ALA 274.A N VAL 270.A O no hydrogen 3.052 N/A LEU 275.A N LEU 271.A O no hydrogen 3.023 N/A LEU 275.A N ALA 272.A O no hydrogen 3.195 N/A LEU 276.A N ALA 272.A O no hydrogen 3.126 N/A ILE 277.A N ASP 273.A O no hydrogen 3.073 N/A GLN 278.A N ALA 274.A O no hydrogen 2.959 N/A GLN 278.A N LEU 275.A O no hydrogen 3.161 N/A LYS 279.A N LEU 275.A O no hydrogen 2.928 N/A ALA 280.A N LEU 276.A O no hydrogen 2.997 N/A ARG 281.A N GLN 278.A O no hydrogen 3.070 N/A ARG 281.A NH1 GLU 176.A OE1 no hydrogen 2.696 N/A ARG 281.A NH1 GLU 176.A OE2 no hydrogen 3.069 N/A ARG 281.A NH2 GLU 176.A OE1 no hydrogen 3.497 N/A ASP 282.A N GLN 278.A O no hydrogen 3.087 N/A ASP 282.A N LYS 279.A O no hydrogen 3.247 N/A