Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dxq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N THR 1.A O no hydrogen 2.877 N/A ARG 5.A NH1 GLY 18.A O no hydrogen 3.323 N/A ARG 5.A NH2 GLY 18.A O no hydrogen 3.331 N/A ALA 6.A N ASP 2.A O no hydrogen 2.938 N/A LYS 7.A N GLU 3.A O no hydrogen 3.467 N/A ALA 9.A N ALA 6.A O no hydrogen 3.126 N/A ALA 14.A N ILE 11.A O no hydrogen 2.813 N/A TYR 16.A OH PRO 19.A O no hydrogen 2.545 N/A GLU 21.A N ARG 32.A O no hydrogen 3.270 N/A ARG 22.A NH2 GLY 25.A O no hydrogen 3.103 N/A LEU 23.A N VAL 30.A O no hydrogen 2.725 N/A ASN 28.A ND2 ASP 182.A OD1 no hydrogen 2.989 N/A ASN 28.A ND2 ASP 182.A OD2 no hydrogen 3.174 N/A LEU 29.A N ILE 40.A O no hydrogen 2.908 N/A PHE 31.A N LEU 38.A O no hydrogen 2.749 N/A ARG 32.A N GLU 21.A O no hydrogen 2.720 N/A ARG 32.A NE GLY 34.A O no hydrogen 2.998 N/A ARG 32.A NH2 GLY 34.A O no hydrogen 3.328 N/A ALA 33.A N LEU 36.A O no hydrogen 2.834 N/A GLY 34.A N TYR 16.A OH no hydrogen 3.018 N/A LEU 36.A N ALA 33.A O no hydrogen 3.120 N/A CYS 37.A N THR 77.A O no hydrogen 2.801 N/A LEU 38.A N PHE 31.A O no hydrogen 2.768 N/A ARG 39.A NH1 THR 77.A OG1 no hydrogen 3.228 N/A ILE 40.A N LEU 29.A O no hydrogen 2.594 N/A GLY 42.A N THR 27.A O no hydrogen 2.825 N/A ARG 47.A NH1 GLU 50.A OE1 no hydrogen 2.992 N/A ARG 47.A NH2 ASN 28.A OD1 no hydrogen 3.305 N/A ASN 49.A N ASN 46.A OD1 no hydrogen 3.030 N/A ASN 49.A ND2 GLU 184.A O no hydrogen 3.392 N/A ASN 49.A ND2 SER 186.A O no hydrogen 3.112 N/A GLU 50.A N ASN 46.A O no hydrogen 3.454 N/A ALA 51.A N ARG 47.A O no hydrogen 3.097 N/A VAL 52.A N ALA 48.A O no hydrogen 3.481 N/A ALA 53.A N ASN 49.A O no hydrogen 2.846 N/A ALA 54.A N GLU 50.A O no hydrogen 2.798 N/A ARG 55.A N ALA 51.A O no hydrogen 3.172 N/A GLU 56.A N VAL 52.A O no hydrogen 3.088 N/A ALA 57.A N ALA 53.A O no hydrogen 2.800 N/A ALA 58.A N ALA 54.A O no hydrogen 2.764 N/A LYS 59.A N ARG 55.A O no hydrogen 2.980 N/A ALA 60.A N GLU 56.A O no hydrogen 2.876 N/A GLY 61.A N ALA 58.A O no hydrogen 2.937 N/A VAL 62.A N ALA 57.A O no hydrogen 3.100 N/A SER 63.A N ALA 57.A O no hydrogen 3.331 N/A SER 63.A OG PRO 64.A O no hydrogen 2.890 N/A LEU 67.A N VAL 76.A O no hydrogen 2.781 N/A HIS 68.A N VAL 76.A O no hydrogen 3.260 N/A ASP 70.A N VAL 75.A O no hydrogen 2.954 N/A ALA 72.A N ASP 70.A OD1 no hydrogen 3.196 N/A THR 73.A OG1 ASP 70.A OD2 no hydrogen 2.980 N/A GLY 74.A N ASP 70.A O no hydrogen 2.832 N/A VAL 75.A N THR 73.A OG1 no hydrogen 3.084 N/A THR 77.A N CYS 37.A O no hydrogen 2.992 N/A ARG 78.A N GLU 65.A O no hydrogen 3.361 N/A TYR 79.A N ASP 35.A O no hydrogen 2.832 N/A GLN 84.A N ASP 174.A O no hydrogen 2.727 N/A LYS 89.A N SER 86.A OG no hydrogen 3.174 N/A LYS 89.A NZ GLN 84.A OE1 no hydrogen 2.644 N/A PHE 90.A N SER 86.A O no hydrogen 3.005 N/A PHE 90.A N PRO 87.A O no hydrogen 3.018 N/A LYS 91.A N PRO 87.A O no hydrogen 3.367 N/A LYS 91.A N GLU 88.A O no hydrogen 3.129 N/A LYS 91.A NZ LYS 202.A O no hydrogen 2.962 N/A THR 92.A N GLU 88.A O no hydrogen 2.952 N/A THR 92.A OG1 GLU 88.A O no hydrogen 3.504 N/A ARG 93.A N LYS 89.A O no hydrogen 2.812 N/A ARG 93.A NE ASP 174.A OD2 no hydrogen 2.853 N/A ARG 93.A NH2 ASP 174.A OD2 no hydrogen 3.141 N/A ARG 93.A NH2 THR 175.A O no hydrogen 3.507 N/A SER 96.A N ARG 93.A O no hydrogen 3.084 N/A SER 96.A OG PHE 90.A O no hydrogen 3.281 N/A SER 96.A OG ARG 93.A O no hydrogen 2.558 N/A ALA 98.A N GLU 210.A OE2 no hydrogen 2.923 N/A ARG 99.A N GLY 95.A O no hydrogen 2.845 N/A ARG 99.A NE ASP 174.A OD1 no hydrogen 3.049 N/A ARG 99.A NH1 PRO 94.A O no hydrogen 3.300 N/A ARG 99.A NH2 PRO 94.A O no hydrogen 3.471 N/A ARG 99.A NH2 ASP 174.A OD2 no hydrogen 3.223 N/A ALA 100.A N SER 96.A O no hydrogen 2.912 N/A GLY 101.A N PRO 97.A O no hydrogen 2.929 N/A GLU 102.A N ALA 98.A O no hydrogen 2.809 N/A ALA 103.A N ARG 99.A O no hydrogen 3.038 N/A PHE 104.A N ALA 100.A O no hydrogen 2.953 N/A ARG 105.A N GLY 101.A O no hydrogen 2.826 N/A ARG 105.A NH1 ALA 213.A O no hydrogen 3.215 N/A LYS 106.A N GLU 102.A O no hydrogen 2.965 N/A LYS 106.A NZ GLY 61.A O no hydrogen 3.167 N/A LEU 107.A N ALA 103.A O no hydrogen 2.909 N/A HIS 108.A N PHE 104.A O no hydrogen 2.732 N/A HIS 108.A ND1 TYR 214.A OH no hydrogen 2.631 N/A HIS 108.A NE2 ASP 193.A OD2 no hydrogen 2.953 N/A GLY 109.A N ARG 105.A O no hydrogen 2.988 N/A SER 110.A N LEU 107.A O no hydrogen 3.020 N/A SER 110.A OG LEU 107.A O no hydrogen 2.594 N/A ALA 112.A N SER 110.A OG no hydrogen 3.056 N/A VAL 113.A N GLU 56.A OE1 no hydrogen 2.790 N/A ASP 124.A N PHE 121.A O no hydrogen 3.025 N/A ASP 125.A N ALA 122.A O no hydrogen 2.903 N/A LEU 127.A N ILE 123.A O no hydrogen 3.033 N/A LYS 128.A N ASP 124.A O no hydrogen 3.035 N/A VAL 129.A N ASP 125.A O no hydrogen 3.153 N/A LEU 130.A N TYR 126.A O no hydrogen 3.158 N/A SER 131.A N LYS 128.A O no hydrogen 3.035 N/A SER 131.A OG LYS 128.A O no hydrogen 3.131 N/A TYR 139.A N PRO 136.A O no hydrogen 3.260 N/A VAL 142.A N GLY 138.A O no hydrogen 3.058 N/A VAL 143.A N TYR 139.A O no hydrogen 3.110 N/A ARG 144.A N HIS 140.A O no hydrogen 2.873 N/A ARG 144.A NH1 GLU 145.A OE2 no hydrogen 3.168 N/A ARG 144.A NH2 ASP 141.A OD1 no hydrogen 3.471 N/A ARG 144.A NH2 GLU 145.A OE2 no hydrogen 3.337 N/A GLU 145.A N ASP 141.A O no hydrogen 2.589 N/A ALA 146.A N VAL 142.A O no hydrogen 2.891 N/A GLY 147.A N VAL 143.A O no hydrogen 3.352 N/A GLY 147.A N ARG 144.A O no hydrogen 2.866 N/A GLY 148.A N GLU 145.A O no hydrogen 2.910 N/A VAL 149.A N GLU 145.A O no hydrogen 3.223 N/A ARG 150.A N ALA 146.A O no hydrogen 2.798 N/A ARG 150.A NH1 ASP 124.A OD2 no hydrogen 3.075 N/A SER 151.A N GLY 147.A O no hydrogen 2.938 N/A ALA 152.A N GLY 148.A O no hydrogen 2.926 N/A LEU 153.A N VAL 149.A O no hydrogen 2.970 N/A ALA 154.A N ARG 150.A O no hydrogen 2.936 N/A ALA 154.A N SER 151.A O no hydrogen 3.154 N/A HIS 156.A NE2 ARG 281.A O no hydrogen 2.668 N/A ALA 161.A N ASN 188.A O no hydrogen 2.763 N/A CYS 163.A N GLY 187.A O no hydrogen 2.870 N/A CYS 163.A SG HIS 108.A NE2 no hydrogen 3.615 N/A CYS 163.A SG ALA 161.A O no hydrogen 3.256 N/A CYS 163.A SG ASN 188.A O no hydrogen 3.684 N/A HIS 164.A N ASP 193.A OD2 no hydrogen 2.965 N/A HIS 164.A NE2 VAL 181.A O no hydrogen 3.018 N/A CYS 165.A N ASP 193.A OD1 no hydrogen 2.766 N/A CYS 165.A SG CYS 163.A O no hydrogen 3.495 N/A ASP 166.A N HIS 164.A ND1 no hydrogen 3.131 N/A LEU 168.A N ASP 166.A O no hydrogen 2.794 N/A ASN 171.A N LEU 168.A O no hydrogen 2.923 N/A ASN 171.A ND2 ASP 166.A O no hydrogen 2.928 N/A PHE 172.A N CYS 169.A O no hydrogen 3.000 N/A LEU 173.A N TRP 179.A O no hydrogen 3.003 N/A ASP 174.A N GLN 84.A O no hydrogen 2.712 N/A THR 175.A N ARG 178.A O no hydrogen 2.891 N/A THR 175.A OG1 ARG 178.A O no hydrogen 3.292 N/A GLU 177.A N THR 175.A OG1 no hydrogen 3.112 N/A ARG 178.A N THR 175.A OG1 no hydrogen 3.157 N/A ARG 178.A NH1 GLY 61.A O no hydrogen 3.493 N/A ARG 178.A NH2 GLY 61.A O no hydrogen 2.635 N/A ILE 180.A N VAL 62.A O no hydrogen 2.971 N/A VAL 181.A N ASN 171.A O no hydrogen 2.957 N/A SER 186.A N TRP 183.A O no hydrogen 3.191 N/A SER 186.A OG TRP 183.A O no hydrogen 2.808 N/A GLY 187.A N CYS 163.A O no hydrogen 3.149 N/A ASP 189.A N ASN 188.A OD1 no hydrogen 2.668 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 3.263 N/A TRP 192.A N ASP 189.A O no hydrogen 2.753 N/A TRP 192.A NE1 CYS 165.A O no hydrogen 2.967 N/A ASP 193.A N PRO 190.A O no hydrogen 3.247 N/A GLY 195.A N LEU 191.A O no hydrogen 3.012 N/A ASP 196.A N TRP 192.A O no hydrogen 2.826 N/A LEU 197.A N ASP 193.A O no hydrogen 3.008 N/A SER 198.A N LEU 194.A O no hydrogen 3.092 N/A SER 198.A OG ASP 208.A OD1 no hydrogen 2.614 N/A SER 198.A OG ASP 208.A OD2 no hydrogen 3.283 N/A VAL 199.A N GLY 195.A O no hydrogen 3.100 N/A GLU 200.A N ASP 196.A O no hydrogen 2.928 N/A GLY 201.A N LEU 197.A O no hydrogen 2.695 N/A PHE 203.A N SER 198.A O no hydrogen 2.971 N/A ASN 204.A N GLN 207.A OE1 no hydrogen 2.942 N/A GLN 207.A N ASN 204.A OD1 no hydrogen 2.952 N/A GLN 207.A NE2 PHE 90.A O no hydrogen 2.931 N/A ASP 208.A N ASN 204.A O no hydrogen 3.086 N/A GLU 209.A N ALA 205.A O no hydrogen 3.055 N/A GLU 210.A N ASN 206.A O no hydrogen 2.973 N/A LEU 211.A N GLN 207.A O no hydrogen 2.751 N/A ALA 213.A N GLU 210.A O no hydrogen 3.142 N/A TYR 214.A N LEU 211.A O no hydrogen 2.924 N/A TYR 214.A OH HIS 108.A ND1 no hydrogen 2.631 N/A GLY 216.A N ARG 212.A O no hydrogen 3.040 N/A ARG 220.A N GLU 223.A OE1 no hydrogen 2.864 N/A ARG 224.A N ARG 220.A O no hydrogen 2.872 N/A ARG 224.A NH1 GLU 209.A OE1 no hydrogen 3.157 N/A GLY 225.A N PRO 221.A O no hydrogen 3.073 N/A ARG 226.A N ALA 222.A O no hydrogen 3.136 N/A ARG 226.A NE ASP 189.A OD2 no hydrogen 3.032 N/A ARG 226.A NH2 ASP 189.A OD1 no hydrogen 2.972 N/A VAL 227.A N GLU 223.A O no hydrogen 3.123 N/A VAL 228.A N ARG 224.A O no hydrogen 3.013 N/A ILE 229.A N GLY 225.A O no hydrogen 2.919 N/A TYR 230.A N ARG 226.A O no hydrogen 2.880 N/A TYR 230.A OH ASP 189.A OD2 no hydrogen 2.309 N/A LYS 231.A N VAL 227.A O no hydrogen 2.809 N/A LYS 231.A NZ ASP 208.A OD2 no hydrogen 2.611 N/A ALA 232.A N VAL 228.A O no hydrogen 3.189 N/A CYS 233.A SG ASP 196.A OD2 no hydrogen 3.027 N/A ASP 234.A N LYS 231.A O no hydrogen 3.318 N/A LEU 235.A N ALA 232.A O no hydrogen 3.052 N/A TRP 237.A N CYS 233.A O no hydrogen 3.298 N/A THR 238.A N ASP 234.A O no hydrogen 2.781 N/A THR 238.A OG1 ASP 234.A O no hydrogen 2.753 N/A LEU 239.A N LEU 235.A O no hydrogen 3.020 N/A TRP 240.A N LEU 236.A O no hydrogen 3.095 N/A GLY 241.A N TRP 237.A O no hydrogen 2.802 N/A LEU 242.A N THR 238.A O no hydrogen 3.048 N/A ILE 243.A N LEU 239.A O no hydrogen 3.147 N/A GLN 244.A N TRP 240.A O no hydrogen 3.063 N/A GLN 244.A NE2 TRP 240.A O no hydrogen 3.407 N/A LEU 245.A N GLY 241.A O no hydrogen 2.962 N/A ALA 246.A N LEU 242.A O no hydrogen 2.983 N/A ASN 247.A N ILE 243.A O no hydrogen 3.068 N/A ASN 249.A N GLN 244.A O no hydrogen 3.173 N/A ASN 249.A ND2 GLN 244.A OE1 no hydrogen 3.546 N/A VAL 251.A N ASN 249.A OD1 no hydrogen 3.068 N/A ALA 256.A N ASP 253.A O no hydrogen 3.034 N/A ALA 256.A N ASP 253.A OD1 no hydrogen 3.357 N/A TYR 257.A N ASP 253.A O no hydrogen 3.007 N/A ALA 258.A N PHE 254.A O no hydrogen 2.926 N/A GLY 260.A N ALA 256.A O no hydrogen 2.934 N/A ARG 261.A N TYR 257.A O no hydrogen 3.191 N/A ARG 261.A NE ASP 234.A OD1 no hydrogen 2.999 N/A ARG 261.A NH1 TYR 257.A OH no hydrogen 3.054 N/A ARG 261.A NH2 ASP 234.A OD1 no hydrogen 3.223 N/A PHE 262.A N ALA 258.A O no hydrogen 3.028 N/A ALA 263.A N ASP 259.A O no hydrogen 3.113 N/A ARG 264.A N GLY 260.A O no hydrogen 3.095 N/A ARG 264.A NE ASP 234.A OD2 no hydrogen 3.065 N/A ARG 264.A NH2 ASP 234.A OD1 no hydrogen 2.953 N/A CYS 265.A N ARG 261.A O no hydrogen 3.197 N/A CYS 265.A SG ALA 232.A O no hydrogen 3.461 N/A LYS 266.A N PHE 262.A O no hydrogen 2.697 N/A LYS 266.A NZ GLU 269.A OE2 no hydrogen 2.522 N/A ALA 267.A N ALA 263.A O no hydrogen 2.886 N/A LEU 268.A N ARG 264.A O no hydrogen 2.941 N/A THR 270.A N LEU 268.A O no hydrogen 3.230 N/A THR 270.A OG1 LEU 268.A O no hydrogen 2.679 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.627 N/A PHE 273.A N THR 270.A O no hydrogen 3.101 N/A SER 274.A OG PRO 271.A O no hydrogen 2.941 N/A HIS 276.A N GLU 272.A O no hydrogen 2.941 N/A LEU 277.A N PHE 273.A O no hydrogen 2.848 N/A ALA 278.A N SER 274.A O no hydrogen 2.826 N/A ALA 279.A N ARG 275.A O no hydrogen 2.915 N/A VAL 280.A N HIS 276.A O no hydrogen 3.066 N/A ARG 281.A N LEU 277.A O no hydrogen 2.876 N/A ARG 281.A NH2 GLY 148.A O no hydrogen 3.205 N/A