Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nnd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ILE 243.A O no hydrogen 3.311 N/A SER 2.A OG PRO 244.A O no hydrogen 3.529 N/A SER 5.A N ASP 1.A O no hydrogen 2.794 N/A SER 5.A OG ASP 1.A O no hydrogen 3.489 N/A SER 5.A OG SER 2.A O no hydrogen 3.558 N/A PHE 6.A N SER 2.A O no hydrogen 3.336 N/A LEU 7.A N ARG 4.A O no hydrogen 3.175 N/A GLU 8.A N ARG 4.A O no hydrogen 3.280 N/A ARG 9.A N SER 5.A O no hydrogen 3.037 N/A ARG 9.A NH1 PRO 245.A O no hydrogen 3.070 N/A ARG 9.A NH2 PHE 247.A O no hydrogen 3.270 N/A LEU 10.A N PHE 6.A O no hydrogen 3.195 N/A GLU 11.A N LEU 7.A O no hydrogen 2.944 N/A ALA 12.A N GLU 8.A O no hydrogen 2.836 N/A ARG 13.A N ARG 9.A O no hydrogen 3.004 N/A PHE 20.A N LEU 16.A O no hydrogen 3.210 N/A SER 21.A N ALA 17.A O no hydrogen 3.102 N/A ASP 22.A N GLY 18.A O no hydrogen 3.117 N/A ILE 23.A N GLU 19.A O no hydrogen 3.198 N/A GLN 24.A N PHE 20.A O no hydrogen 3.111 N/A ALA 25.A N SER 21.A O no hydrogen 3.289 N/A CYS 26.A SG ASP 22.A O no hydrogen 3.571 N/A SER 27.A N ILE 23.A O no hydrogen 3.211 N/A ALA 28.A N GLN 24.A O no hydrogen 3.160 N/A ALA 29.A N ALA 25.A O no hydrogen 3.232 N/A TRP 30.A N CYS 26.A O no hydrogen 3.114 N/A LYS 31.A N SER 27.A O no hydrogen 3.377 N/A ALA 32.A N ALA 28.A O no hydrogen 2.899 N/A ASP 33.A N ALA 29.A O no hydrogen 2.807 N/A GLY 34.A N LYS 31.A O no hydrogen 3.186 N/A VAL 35.A N TRP 30.A O no hydrogen 2.948 N/A CYS 36.A N TRP 30.A O no hydrogen 3.175 N/A CYS 36.A SG LYS 258.A O no hydrogen 3.756 N/A SER 37.A N GLN 60.A OE1 no hydrogen 3.141 N/A SER 37.A OG ASP 59.A OD2 no hydrogen 2.771 N/A VAL 39.A N ASP 59.A OD2 no hydrogen 2.809 N/A ALA 40.A N ASP 59.A OD1 no hydrogen 3.051 N/A SER 42.A N THR 38.A O no hydrogen 3.248 N/A SER 42.A N VAL 39.A O no hydrogen 3.138 N/A SER 42.A OG THR 38.A O no hydrogen 2.656 N/A ARG 43.A N VAL 39.A O no hydrogen 3.241 N/A ARG 43.A N ALA 40.A O no hydrogen 3.394 N/A ARG 43.A NE GLU 45.A OE2 no hydrogen 3.127 N/A ASN 46.A N ARG 43.A O no hydrogen 2.847 N/A ASN 46.A ND2 ALA 40.A O no hydrogen 2.917 N/A VAL 47.A N ARG 43.A O no hydrogen 3.111 N/A LYS 49.A N ASN 46.A O no hydrogen 2.761 N/A ASN 50.A N VAL 47.A O no hydrogen 3.003 N/A ASN 50.A ND2 GLY 41.A O no hydrogen 3.075 N/A ARG 51.A N GLN 95.A OE1 no hydrogen 2.962 N/A ARG 51.A NE GLY 96.A O no hydrogen 2.733 N/A ARG 51.A NH2 GLY 96.A O no hydrogen 3.115 N/A ARG 51.A NH2 PRO 97.A O no hydrogen 2.896 N/A TYR 52.A OH SER 220.A OG no hydrogen 2.535 N/A VAL 55.A N TYR 52.A O no hydrogen 3.241 N/A ASP 59.A N SER 37.A O no hydrogen 2.755 N/A GLN 60.A NE2 SER 37.A OG no hydrogen 3.288 N/A THR 61.A N TYR 58.A O no hydrogen 3.357 N/A THR 61.A OG1 GLN 259.A O no hydrogen 2.711 N/A ARG 62.A NH1 ASP 75.A OD1 no hydrogen 3.440 N/A ARG 62.A NH1 ASP 75.A OD2 no hydrogen 3.193 N/A ARG 62.A NH2 ASP 75.A OD1 no hydrogen 3.204 N/A VAL 63.A N GLY 79.A O no hydrogen 3.016 N/A LEU 65.A N ASP 75.A O no hydrogen 2.853 N/A SER 66.A N GLU 111.A OE1 no hydrogen 2.801 N/A SER 66.A OG GLU 111.A OE2 no hydrogen 2.653 N/A GLN 69.A N SER 66.A O no hydrogen 3.330 N/A GLU 71.A N LEU 68.A O no hydrogen 2.962 N/A GLY 72.A N GLN 69.A O no hydrogen 2.877 N/A HIS 73.A N LEU 68.A O no hydrogen 3.398 N/A TYR 76.A N SER 74.A OG no hydrogen 3.117 N/A TYR 76.A OH ASN 50.A OD1 no hydrogen 2.521 N/A ASN 78.A ND2 ASN 50.A OD1 no hydrogen 2.955 N/A ASN 78.A ND2 VAL 55.A O no hydrogen 2.843 N/A ASN 80.A N ALA 93.A O no hydrogen 2.863 N/A ASN 80.A ND2 TYR 58.A O no hydrogen 3.105 N/A PHE 81.A N THR 61.A O no hydrogen 2.821 N/A ILE 82.A N TYR 91.A O no hydrogen 2.929 N/A ARG 83.A N GLN 259.A OE1 no hydrogen 2.832 N/A ARG 83.A NH1 GLY 87.A O no hydrogen 2.660 N/A GLY 84.A N SER 88.A O no hydrogen 2.601 N/A GLY 87.A N GLY 84.A O no hydrogen 2.809 N/A SER 88.A N ASP 86.A OD1 no hydrogen 3.021 N/A SER 88.A OG ASP 86.A OD1 no hydrogen 2.782 N/A SER 88.A OG ASP 86.A OD2 no hydrogen 3.532 N/A TYR 91.A N ILE 82.A O no hydrogen 3.199 N/A TYR 91.A OH ASP 233.A OD1 no hydrogen 2.614 N/A ILE 92.A N LEU 215.A O no hydrogen 2.886 N/A ALA 93.A N ASN 80.A O no hydrogen 2.824 N/A THR 94.A N VAL 217.A O no hydrogen 3.084 N/A THR 94.A OG1 ASN 78.A O no hydrogen 2.812 N/A GLN 95.A N ASN 78.A O no hydrogen 3.290 N/A GLN 95.A NE2 LYS 49.A O no hydrogen 2.768 N/A GLY 96.A N SER 220.A O no hydrogen 2.855 N/A LEU 98.A N THR 101.A OG1 no hydrogen 2.869 N/A HIS 100.A NE2 ARG 48.A O no hydrogen 2.772 N/A THR 101.A N LEU 98.A O no hydrogen 2.973 N/A PHE 105.A N THR 101.A O no hydrogen 2.920 N/A TRP 106.A N LEU 102.A O no hydrogen 3.188 N/A TRP 106.A NE1 TYR 134.A O no hydrogen 3.061 N/A ARG 107.A N LEU 103.A O no hydrogen 2.833 N/A ARG 107.A NE LEU 67.A O no hydrogen 2.733 N/A ARG 107.A NH1 SER 74.A O no hydrogen 2.956 N/A ARG 107.A NH1 ASP 104.A OD1 no hydrogen 2.824 N/A ARG 107.A NH2 LEU 67.A O no hydrogen 2.849 N/A ARG 107.A NH2 SER 74.A O no hydrogen 3.016 N/A LEU 108.A N ASP 104.A O no hydrogen 2.934 N/A VAL 109.A N PHE 105.A O no hydrogen 3.005 N/A TRP 110.A N TRP 106.A O no hydrogen 2.833 N/A GLU 111.A N ARG 107.A O no hydrogen 2.801 N/A PHE 112.A N LEU 108.A O no hydrogen 3.225 N/A GLY 113.A N TRP 110.A O no hydrogen 3.303 N/A VAL 114.A N VAL 109.A O no hydrogen 3.074 N/A LYS 115.A NZ SER 210.A O no hydrogen 3.146 N/A LYS 115.A NZ GLU 213.A OE1 no hydrogen 2.980 N/A ILE 117.A N TYR 178.A O no hydrogen 2.724 N/A LEU 118.A N CYS 216.A O no hydrogen 2.807 N/A MET 119.A N LEU 180.A O no hydrogen 2.806 N/A ALA 120.A N HIS 218.A O no hydrogen 2.913 N/A CYS 121.A SG ARG 122.A O no hydrogen 3.966 N/A ARG 122.A N GLU 125.A OE2 no hydrogen 2.654 N/A GLU 125.A N ARG 128.A O no hydrogen 2.926 N/A LYS 129.A NZ GLU 132.A OE2 no hydrogen 2.893 N/A ARG 130.A N GLU 123.A O no hydrogen 2.548 N/A ARG 130.A NH1 ASP 187.A OD2 no hydrogen 3.484 N/A CYS 131.A N GLU 123.A O no hydrogen 3.297 N/A CYS 131.A SG GLU 132.A O no hydrogen 3.513 N/A GLU 132.A N PRO 97.A O no hydrogen 3.136 N/A ARG 133.A NH1 TRP 135.A O no hydrogen 2.935 N/A ARG 133.A NH1 GLU 140.A OE1 no hydrogen 3.082 N/A TYR 134.A OH HIS 218.A NE2 no hydrogen 2.666 N/A GLN 137.A N GLU 140.A O no hydrogen 3.165 N/A GLU 140.A N GLN 137.A O no hydrogen 2.988 N/A LEU 142.A N ILE 149.A O no hydrogen 2.639 N/A THR 144.A N PHE 147.A O no hydrogen 3.355 N/A PHE 147.A N THR 144.A O no hydrogen 2.908 N/A CYS 148.A N THR 169.A O no hydrogen 3.054 N/A ILE 149.A N LEU 142.A O no hydrogen 2.579 N/A THR 150.A N LYS 167.A O no hydrogen 2.900 N/A ILE 152.A N THR 165.A O no hydrogen 2.866 N/A LYS 155.A N LEU 163.A O no hydrogen 3.021 N/A LEU 157.A N ILE 161.A O no hydrogen 2.842 N/A ASP 160.A N ASN 158.A OD1 no hydrogen 2.878 N/A ILE 161.A N ASN 158.A O no hydrogen 3.346 N/A MET 162.A N GLN 181.A O no hydrogen 2.933 N/A LEU 163.A N LYS 155.A O no hydrogen 2.901 N/A ARG 164.A N GLN 179.A O no hydrogen 2.850 N/A ARG 164.A NE GLU 154.A OE2 no hydrogen 2.898 N/A ARG 164.A NH1 GLN 179.A OE1 no hydrogen 2.792 N/A ARG 164.A NH1 GLN 181.A OE1 no hydrogen 2.925 N/A ARG 164.A NH2 GLN 181.A OE1 no hydrogen 3.453 N/A THR 165.A N LYS 153.A O no hydrogen 2.888 N/A LEU 166.A N VAL 177.A O no hydrogen 2.820 N/A LYS 167.A N THR 150.A O no hydrogen 2.821 N/A VAL 168.A N ARG 175.A O no hydrogen 3.076 N/A THR 169.A N CYS 148.A O no hydrogen 2.856 N/A PHE 170.A N GLU 173.A O no hydrogen 3.198 N/A GLU 173.A N PHE 170.A O no hydrogen 3.090 N/A ARG 175.A N VAL 168.A O no hydrogen 3.128 N/A ARG 175.A NE GLU 173.A OE2 no hydrogen 3.311 N/A ARG 175.A NH1 TRP 110.A O no hydrogen 2.954 N/A ARG 175.A NH2 GLU 173.A OE1 no hydrogen 3.420 N/A VAL 177.A N LEU 166.A O no hydrogen 2.796 N/A TYR 178.A N LYS 115.A O no hydrogen 2.766 N/A GLN 179.A N ARG 164.A O no hydrogen 2.970 N/A GLN 179.A NE2 TYR 134.A OH no hydrogen 3.043 N/A LEU 180.A N ILE 117.A O no hydrogen 2.857 N/A GLN 181.A N MET 162.A O no hydrogen 2.877 N/A GLN 181.A NE2 CYS 121.A O no hydrogen 2.858 N/A TYR 182.A N MET 119.A O no hydrogen 2.845 N/A TYR 182.A OH SER 193.A O no hydrogen 3.092 N/A MET 183.A N ASP 160.A O no hydrogen 2.908 N/A SER 184.A OG ASP 160.A OD1 no hydrogen 2.728 N/A TRP 185.A NE1 GLY 189.A O no hydrogen 3.122 N/A GLY 189.A N PRO 186.A O no hydrogen 2.985 N/A SER 192.A OG SER 184.A O no hydrogen 3.000 N/A SER 193.A N TYR 182.A OH no hydrogen 3.176 N/A HIS 196.A N SER 193.A OG no hydrogen 3.275 N/A HIS 196.A ND1 ASP 160.A OD2 no hydrogen 2.627 N/A MET 197.A N SER 193.A O no hydrogen 3.087 N/A LEU 198.A N PRO 194.A O no hydrogen 3.122 N/A ALA 199.A N ASP 195.A O no hydrogen 3.042 N/A MET 200.A N HIS 196.A O no hydrogen 2.961 N/A VAL 201.A N MET 197.A O no hydrogen 3.143 N/A GLU 202.A N LEU 198.A O no hydrogen 2.779 N/A GLU 203.A N ALA 199.A O no hydrogen 2.704 N/A ALA 204.A N MET 200.A O no hydrogen 2.748 N/A ARG 205.A N VAL 201.A O no hydrogen 3.042 N/A ARG 205.A NE ASP 233.A OD2 no hydrogen 2.865 N/A ARG 205.A NH2 ASP 233.A OD1 no hydrogen 2.897 N/A ARG 205.A NH2 ASP 233.A OD2 no hydrogen 3.517 N/A ARG 206.A N GLU 202.A O no hydrogen 3.115 N/A ARG 206.A NE GLU 203.A OE1 no hydrogen 3.063 N/A ARG 206.A NE GLU 203.A OE2 no hydrogen 3.336 N/A ARG 206.A NH2 GLU 203.A OE2 no hydrogen 2.670 N/A LEU 207.A N GLU 203.A O no hydrogen 2.903 N/A GLN 208.A N ALA 204.A O no hydrogen 2.925 N/A GLN 208.A NE2 GLY 211.A O no hydrogen 3.229 N/A GLN 208.A NE2 GLU 213.A O no hydrogen 2.664 N/A GLY 209.A N ARG 206.A O no hydrogen 3.188 N/A LEU 215.A N ALA 90.A O no hydrogen 2.818 N/A CYS 216.A N VAL 116.A O no hydrogen 3.095 N/A VAL 217.A N ILE 92.A O no hydrogen 2.722 N/A HIS 218.A N LEU 118.A O no hydrogen 2.869 N/A HIS 218.A ND1 SER 219.A O no hydrogen 2.984 N/A HIS 218.A NE2 TYR 134.A OH no hydrogen 2.666 N/A SER 219.A OG THR 226.A OG1 no hydrogen 2.871 N/A SER 220.A OG TYR 52.A OH no hydrogen 2.535 N/A SER 220.A OG ARG 130.A O no hydrogen 2.992 N/A GLY 222.A N SER 219.A OG no hydrogen 3.174 N/A CYS 223.A SG ALA 221.A O no hydrogen 3.940 N/A CYS 223.A SG PRO 261.A O no hydrogen 3.586 N/A ARG 225.A NH1 GLU 125.A OE1 no hydrogen 3.521 N/A ARG 225.A NH1 GLU 125.A OE2 no hydrogen 3.091 N/A ARG 225.A NH1 TRP 185.A O no hydrogen 2.746 N/A ARG 225.A NH2 GLU 125.A OE1 no hydrogen 3.169 N/A THR 226.A OG1 SER 219.A OG no hydrogen 2.871 N/A GLY 227.A N CYS 223.A O no hydrogen 2.715 N/A VAL 228.A N GLY 224.A O no hydrogen 3.077 N/A LEU 229.A N ARG 225.A O no hydrogen 3.247 N/A CYS 230.A N THR 226.A O no hydrogen 3.064 N/A CYS 230.A SG THR 226.A O no hydrogen 3.550 N/A THR 231.A N GLY 227.A O no hydrogen 3.062 N/A THR 231.A OG1 GLY 227.A O no hydrogen 2.667 N/A VAL 232.A N VAL 228.A O no hydrogen 2.909 N/A ASP 233.A N LEU 229.A O no hydrogen 2.921 N/A TYR 234.A N CYS 230.A O no hydrogen 2.810 N/A VAL 235.A N THR 231.A O no hydrogen 2.984 N/A ARG 236.A N VAL 232.A O no hydrogen 3.013 N/A GLN 237.A N ASP 233.A O no hydrogen 3.063 N/A LEU 238.A N TYR 234.A O no hydrogen 3.137 N/A LEU 239.A N VAL 235.A O no hydrogen 3.200 N/A LEU 240.A N ARG 236.A O no hydrogen 2.955 N/A THR 241.A N GLN 237.A O no hydrogen 2.639 N/A PHE 247.A N PRO 244.A O no hydrogen 3.298 N/A VAL 252.A N SER 248.A O no hydrogen 3.302 N/A VAL 253.A N LEU 249.A O no hydrogen 3.024 N/A LEU 254.A N PHE 250.A O no hydrogen 3.124 N/A LYS 255.A N ASP 251.A O no hydrogen 2.999 N/A MET 256.A N VAL 252.A O no hydrogen 2.932 N/A ARG 257.A N VAL 253.A O no hydrogen 2.916 N/A ARG 257.A NE VAL 264.A O no hydrogen 3.374 N/A ARG 257.A NH1 SER 27.A OG no hydrogen 3.302 N/A ARG 257.A NH2 VAL 264.A O no hydrogen 3.063 N/A LYS 258.A N LYS 255.A O no hydrogen 3.235 N/A GLN 259.A N MET 256.A O no hydrogen 3.051 N/A GLN 259.A NE2 LYS 255.A O no hydrogen 2.648 N/A ARG 260.A N MET 256.A O no hydrogen 3.039 N/A ARG 260.A NE GLY 222.A O no hydrogen 2.803 N/A ARG 260.A NH1 ASN 78.A OD1 no hydrogen 3.043 N/A ARG 260.A NH1 ASN 80.A OD1 no hydrogen 2.881 N/A ARG 260.A NH2 ASN 78.A OD1 no hydrogen 3.008 N/A ARG 260.A NH2 ALA 221.A O no hydrogen 2.887 N/A ALA 263.A N ARG 260.A O no hydrogen 3.165 N/A GLN 265.A N GLN 269.A OE1 no hydrogen 3.081 N/A THR 266.A OG1 ARG 188.A O no hydrogen 2.961 N/A GLN 269.A N THR 266.A OG1 no hydrogen 3.340 N/A GLN 269.A NE2 GLY 189.A O no hydrogen 3.091 N/A TYR 270.A N THR 266.A O no hydrogen 3.108 N/A TYR 270.A OH GLU 19.A OE2 no hydrogen 2.895 N/A ARG 271.A N GLU 267.A O no hydrogen 2.992 N/A ARG 271.A NE GLU 267.A OE2 no hydrogen 2.737 N/A ARG 271.A NH1 ALA 14.A O no hydrogen 2.426 N/A ARG 271.A NH2 ALA 14.A O no hydrogen 3.119 N/A ARG 271.A NH2 GLU 267.A OE2 no hydrogen 2.730 N/A PHE 272.A N GLU 268.A O no hydrogen 3.012 N/A LEU 273.A N GLN 269.A O no hydrogen 2.837 N/A TYR 274.A N TYR 270.A O no hydrogen 3.151 N/A TYR 274.A OH GLU 19.A OE2 no hydrogen 2.746 N/A HIS 275.A N ARG 271.A O no hydrogen 3.008 N/A THR 276.A N PHE 272.A O no hydrogen 2.923 N/A THR 276.A OG1 PHE 272.A O no hydrogen 2.875 N/A VAL 277.A N LEU 273.A O no hydrogen 2.933 N/A ALA 278.A N TYR 274.A O no hydrogen 2.977 N/A GLN 279.A N HIS 275.A O no hydrogen 2.973 N/A MET 280.A N THR 276.A O no hydrogen 2.851 N/A PHE 281.A N VAL 277.A O no hydrogen 2.993 N/A CYS 282.A N ALA 278.A O no hydrogen 3.273 N/A CYS 282.A SG ALA 278.A O no hydrogen 3.795 N/A SER 283.A N MET 280.A O no hydrogen 3.404 N/A SER 283.A OG GLN 279.A O no hydrogen 3.464 N/A