Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ILE 66.A O no hydrogen 3.551 N/A SER 6.A N GLU 2.A O.A no hydrogen 3.356 N/A SER 6.A N GLU 2.A O.B no hydrogen 3.254 N/A SER 6.A OG GLU 2.A O.A no hydrogen 3.164 N/A SER 6.A OG GLU 2.A O.B no hydrogen 3.188 N/A SER 6.A OG LYS 3.A O no hydrogen 3.547 N/A GLU 7.A N LYS 3.A O no hydrogen 3.208 N/A ILE 8.A N LEU 4.A O no hydrogen 2.995 N/A LYS 9.A N GLY 5.A O no hydrogen 3.023 N/A LYS 10.A N SER 6.A O no hydrogen 2.769 N/A ILE 11.A N GLU 7.A O no hydrogen 3.085 N/A ARG 12.A N ILE 8.A O no hydrogen 2.954 N/A ARG 12.A NE GLU 36.A OE2 no hydrogen 2.652 N/A ARG 12.A NH1 GLU 36.A OE1 no hydrogen 2.802 N/A ARG 12.A NH1 GLU 36.A OE2 no hydrogen 3.246 N/A ARG 12.A NH2 LEU 17.A O no hydrogen 3.120 N/A VAL 13.A N LYS 9.A O no hydrogen 2.973 N/A LEU 14.A N LYS 10.A O no hydrogen 3.019 N/A ARG 15.A N ARG 12.A O no hydrogen 3.189 N/A ARG 15.A NE LEU 54.A O no hydrogen 3.142 N/A ARG 15.A NH2 LEU 54.A O no hydrogen 3.322 N/A GLY 16.A N VAL 13.A O no hydrogen 2.866 N/A LEU 17.A N ARG 12.A O no hydrogen 3.239 N/A THR 18.A N GLN 21.A OE1 no hydrogen 3.157 N/A THR 18.A OG1 GLN 21.A OE1 no hydrogen 3.559 N/A GLN 19.A NE2 GLU 36.A OE1 no hydrogen 2.880 N/A LYS 20.A NZ LYS 20.A O no hydrogen 3.437 N/A LEU 22.A N THR 18.A O no hydrogen 2.929 N/A SER 23.A N GLN 19.A O no hydrogen 2.862 N/A SER 23.A OG GLN 19.A O no hydrogen 3.209 N/A SER 23.A OG LYS 20.A O no hydrogen 2.878 N/A GLU 24.A N GLN 21.A O no hydrogen 3.441 N/A ILE 26.A N SER 23.A O no hydrogen 2.961 N/A CYS 27.A N SER 23.A O no hydrogen 2.817 N/A CYS 27.A SG HIS 28.A O no hydrogen 3.547 N/A GLN 29.A NE2 GLN 19.A OE1 no hydrogen 3.055 N/A SER 30.A N HIS 28.A ND1 no hydrogen 3.157 N/A SER 30.A OG HIS 28.A ND1 no hydrogen 3.206 N/A GLU 31.A N HIS 28.A O no hydrogen 3.144 N/A VAL 32.A N HIS 28.A O no hydrogen 3.428 N/A SER 33.A N GLN 29.A O no hydrogen 3.026 N/A ARG 34.A N SER 30.A O no hydrogen 2.980 N/A ILE 35.A N GLU 31.A O no hydrogen 2.813 N/A GLU 36.A N VAL 32.A O no hydrogen 2.883 N/A SER 37.A N SER 33.A O no hydrogen 3.114 N/A SER 37.A OG ARG 34.A O no hydrogen 3.218 N/A GLY 38.A N ILE 35.A O no hydrogen 3.394 N/A ALA 39.A N ARG 34.A O no hydrogen 3.186 N/A ILE 46.A N ASP 45.A OD1.B no hydrogen 2.644 N/A LEU 47.A N SER 43.A O no hydrogen 2.925 N/A GLN 48.A N MET 44.A O no hydrogen 2.841 N/A GLY 49.A N ASP 45.A O no hydrogen 2.990 N/A ILE 50.A N ILE 46.A O no hydrogen 2.919 N/A ALA 51.A N LEU 47.A O no hydrogen 2.785 N/A ALA 52.A N GLN 48.A O no hydrogen 2.977 N/A LYS 53.A N GLY 49.A O no hydrogen 3.000 N/A LYS 53.A NZ GLN 21.A O no hydrogen 3.421 N/A LYS 53.A NZ LEU 22.A O no hydrogen 3.243 N/A LYS 53.A NZ GLU 24.A O no hydrogen 2.847 N/A LEU 54.A N ILE 50.A O no hydrogen 3.011 N/A GLN 55.A N ALA 52.A O no hydrogen 2.981 N/A ILE 56.A N ALA 51.A O no hydrogen 2.870 N/A HIS 60.A N PRO 57.A O no hydrogen 2.977 N/A HIS 60.A NE2 GLU 7.A OE2 no hydrogen 2.667 N/A PHE 61.A N ILE 58.A O no hydrogen 3.080 N/A GLU 63.A N ILE 59.A O no hydrogen 2.799 N/A VAL 64.A N HIS 60.A O no hydrogen 3.207 N/A LEU 65.A N TYR 62.A O no hydrogen 2.986 N/A ARG 72.A NE ASP 69.A OD2 no hydrogen 2.524 N/A ARG 72.A NH1 GLU 99.A OE1 no hydrogen 3.071 N/A ARG 72.A NH1 GLU 99.A OE2 no hydrogen 3.399 N/A ARG 72.A NH2 ASP 69.A OD2 no hydrogen 3.252 N/A ARG 72.A NH2 GLU 99.A OE2 no hydrogen 2.940 N/A LYS 73.A N ASP 69.A O no hydrogen 3.000 N/A LYS 73.A NZ SER 68.A O no hydrogen 2.933 N/A LYS 73.A NZ HIS 106.A ND1 no hydrogen 2.872 N/A LYS 74.A N ILE 70.A O no hydrogen 3.095 N/A LYS 74.A NZ GLU 63.A OE1 no hydrogen 3.267 N/A LYS 74.A NZ GLU 63.A OE2 no hydrogen 3.475 N/A GLN 75.A N GLU 71.A O no hydrogen 3.200 N/A PHE 76.A N ARG 72.A O no hydrogen 2.942 N/A LYS 77.A N LYS 73.A O no hydrogen 2.921 N/A LYS 77.A NZ ASP 148.A OD2 no hydrogen 2.833 N/A ASP 78.A N LYS 74.A O no hydrogen 3.051 N/A GLN 79.A N GLN 75.A O no hydrogen 2.996 N/A VAL 80.A N PHE 76.A O no hydrogen 2.970 N/A ILE 81.A N LYS 77.A O no hydrogen 2.977 N/A MET 82.A N.A ASP 78.A O no hydrogen 3.038 N/A MET 82.A N.B ASP 78.A O no hydrogen 3.042 N/A LEU 83.A N GLN 79.A O no hydrogen 2.877 N/A CYS 84.A N VAL 80.A O no hydrogen 2.759 N/A CYS 84.A SG GLN 116.A OE1 no hydrogen 4.003 N/A LYS 85.A N ILE 81.A O no hydrogen 3.057 N/A GLN 86.A N MET 82.A O.A no hydrogen 2.970 N/A GLN 86.A N MET 82.A O.B no hydrogen 2.983 N/A LYS 87.A N CYS 84.A O no hydrogen 2.869 N/A LYS 87.A NZ CYS 84.A O no hydrogen 3.204 N/A LYS 87.A NZ LYS 85.A O no hydrogen 2.961 N/A ARG 88.A N LEU 83.A O no hydrogen 3.008 N/A ARG 88.A NE GLU 91.A OE2 no hydrogen 2.747 N/A ARG 88.A NH1 GLN 86.A OE1 no hydrogen 2.586 N/A ARG 88.A NH2 GLU 91.A OE1 no hydrogen 2.974 N/A ARG 88.A NH2 GLU 91.A OE2 no hydrogen 3.217 N/A ILE 92.A N ARG 88.A O no hydrogen 3.144 N/A TYR 93.A N TYR 89.A O no hydrogen 2.849 N/A ASN 94.A N LYS 90.A O no hydrogen 2.967 N/A LYS 95.A N GLU 91.A O no hydrogen 2.704 N/A LYS 95.A NZ GLN 79.A OE1 no hydrogen 3.213 N/A VAL 96.A N ILE 92.A O no hydrogen 2.819 N/A TRP 97.A N TYR 93.A O no hydrogen 3.058 N/A ASN 98.A N ASN 94.A O no hydrogen 3.078 N/A GLU 99.A N LYS 95.A O no hydrogen 3.312 N/A LEU 100.A N VAL 96.A O no hydrogen 2.846 N/A LYS 101.A N TRP 97.A O no hydrogen 3.110 N/A LYS 102.A N GLU 99.A O no hydrogen 3.323 N/A LYS 102.A NZ GLU 99.A OE1 no hydrogen 3.139 N/A GLU 103.A N LEU 100.A O no hydrogen 3.216 N/A HIS 106.A N GLN 110.A OE1.B no hydrogen 2.895 N/A GLN 110.A N.A HIS 106.A O no hydrogen 2.821 N/A GLN 110.A N.B HIS 106.A O no hydrogen 2.789 N/A GLN 111.A N PRO 107.A O no hydrogen 2.756 N/A GLN 111.A NE2 LEU 139.A O no hydrogen 3.077 N/A PHE 112.A N GLU 108.A O no hydrogen 3.066 N/A LEU 113.A N PHE 109.A O no hydrogen 2.993 N/A GLN 114.A N GLN 110.A O.A no hydrogen 2.973 N/A GLN 114.A N GLN 110.A O.B no hydrogen 2.974 N/A TRP 115.A N GLN 111.A O no hydrogen 2.923 N/A GLN 116.A N PHE 112.A O no hydrogen 3.026 N/A TYR 117.A N LEU 113.A O no hydrogen 2.779 N/A TYR 118.A N GLN 114.A O no hydrogen 2.909 N/A VAL 119.A N TRP 115.A O no hydrogen 3.154 N/A ALA 120.A N GLN 116.A O no hydrogen 3.026 N/A ALA 121.A N TYR 117.A O no hydrogen 2.732 N/A TYR 122.A N TYR 118.A O no hydrogen 2.802 N/A TYR 122.A OH GLU 165.A OE2 no hydrogen 2.559 N/A VAL 123.A N VAL 119.A O no hydrogen 2.848 N/A LEU 124.A N ALA 120.A O no hydrogen 2.937 N/A LYS 125.A N TYR 122.A O no hydrogen 3.000 N/A LYS 126.A N ALA 121.A O no hydrogen 2.980 N/A TYR 129.A OH TYR 168.A OH no hydrogen 3.267 N/A GLU 130.A N ASP 128.A OD1 no hydrogen 2.830 N/A TYR 131.A N ASP 128.A O no hydrogen 3.023 N/A TYR 131.A N ASP 128.A OD1 no hydrogen 3.049 N/A CYS 132.A N ASP 128.A O no hydrogen 3.107 N/A CYS 132.A SG TYR 118.A O no hydrogen 3.570 N/A ILE 133.A N TYR 129.A O no hydrogen 3.131 N/A LEU 134.A N GLU 130.A O no hydrogen 3.172 N/A GLU 135.A N TYR 131.A O no hydrogen 2.973 N/A LEU 136.A N CYS 132.A O no hydrogen 2.891 N/A LYS 137.A N ILE 133.A O no hydrogen 2.817 N/A LYS 137.A NZ TYR 163.A OH no hydrogen 2.652 N/A LYS 138.A N LEU 134.A O no hydrogen 3.209 N/A LYS 138.A N GLU 135.A O no hydrogen 3.079 N/A LYS 138.A NZ GLU 135.A OE1 no hydrogen 3.141 N/A LYS 138.A NZ GLU 135.A OE2 no hydrogen 3.436 N/A LEU 139.A N GLU 135.A O no hydrogen 3.197 N/A LEU 140.A N LEU 136.A O no hydrogen 3.184 N/A ASN 141.A N LYS 137.A O no hydrogen 2.928 N/A GLN 142.A N LYS 138.A O no hydrogen 3.179 N/A GLN 142.A N LEU 139.A O no hydrogen 3.149 N/A GLN 143.A N LEU 140.A O no hydrogen 2.759 N/A GLY 146.A N THR 145.A OG1 no hydrogen 2.556 N/A ILE 147.A N GLU 108.A OE1 no hydrogen 2.848 N/A ASP 148.A N GLU 108.A OE2 no hydrogen 3.133 N/A TYR 150.A N ASP 148.A OD1 no hydrogen 2.994 N/A TYR 150.A OH HIS 187.A O no hydrogen 2.516 N/A GLN 151.A NE2 GLU 108.A O no hydrogen 3.059 N/A GLN 151.A NE2 GLN 111.A OE1 no hydrogen 2.672 N/A ASN 152.A ND2 LEU 144.A O no hydrogen 3.650 N/A TYR 154.A N TYR 150.A O no hydrogen 2.979 N/A ILE 155.A N GLN 151.A O no hydrogen 3.032 N/A GLU 156.A N ASN 152.A O no hydrogen 2.898 N/A ASN 157.A N LEU 153.A O no hydrogen 2.900 N/A ALA 158.A N TYR 154.A O no hydrogen 3.114 N/A ILE 159.A N ILE 155.A O no hydrogen 2.951 N/A ALA 160.A N GLU 156.A O no hydrogen 2.852 N/A ASN 161.A N ASN 157.A O no hydrogen 2.920 N/A ILE 162.A N ALA 158.A O no hydrogen 3.065 N/A ILE 162.A N ILE 159.A O no hydrogen 3.188 N/A TYR 163.A N ILE 159.A O no hydrogen 3.113 N/A ALA 164.A N ALA 160.A O no hydrogen 3.040 N/A GLU 165.A N ASN 161.A O no hydrogen 3.012 N/A ASN 166.A N ILE 162.A O no hydrogen 3.234 N/A ASN 166.A N TYR 163.A O no hydrogen 3.287 N/A ASN 166.A ND2 TYR 122.A OH no hydrogen 3.062 N/A ASN 166.A ND2 ILE 162.A O no hydrogen 2.667 N/A TYR 168.A N TYR 163.A O no hydrogen 2.964 N/A TYR 168.A OH TYR 129.A OH no hydrogen 3.267 N/A GLY 172.A N TYR 168.A O no hydrogen 2.917 N/A ILE 173.A N LEU 169.A O no hydrogen 2.756 N/A ASP 174.A N.A LYS 170.A O no hydrogen 3.011 N/A ASP 174.A N.B LYS 170.A O no hydrogen 3.012 N/A LEU 175.A N LYS 171.A O no hydrogen 3.076 N/A PHE 176.A N GLY 172.A O no hydrogen 2.886 N/A GLU 177.A N ILE 173.A O no hydrogen 3.035 N/A GLN 178.A N ASP 174.A O.A no hydrogen 3.105 N/A GLN 178.A N ASP 174.A O.B no hydrogen 2.938 N/A ILE 179.A N LEU 175.A O no hydrogen 3.001 N/A LEU 180.A N PHE 176.A O no hydrogen 3.020 N/A LYS 181.A N GLU 177.A O no hydrogen 3.152 N/A GLN 182.A N GLN 178.A O no hydrogen 2.957 N/A GLN 182.A NE2 GLU 156.A OE2 no hydrogen 3.021 N/A GLN 182.A NE2 GLN 178.A O no hydrogen 3.284 N/A LEU 183.A N ILE 179.A O no hydrogen 2.902 N/A GLU 184.A N LEU 180.A O no hydrogen 3.229 N/A LEU 186.A N GLN 182.A O no hydrogen 3.372 N/A ASN 189.A ND2 TYR 154.A OH no hydrogen 2.864 N/A PHE 192.A N ASN 189.A OD1 no hydrogen 3.430 N/A ASP 193.A N ASN 189.A O no hydrogen 3.210 N/A VAL 194.A N GLU 190.A O no hydrogen 2.978 N/A LYS 195.A N GLU 191.A O no hydrogen 3.041 N/A VAL 196.A N PHE 192.A O no hydrogen 2.829 N/A ARG 197.A N ASP 193.A O no hydrogen 2.972 N/A ARG 197.A NE ASP 193.A OD2 no hydrogen 2.979 N/A ARG 197.A NH1 GLN 216.A OE1 no hydrogen 2.761 N/A TYR 198.A N VAL 194.A O no hydrogen 3.050 N/A ASN 199.A N LYS 195.A O no hydrogen 3.082 N/A ASN 199.A ND2 ASN 157.A OD1 no hydrogen 2.831 N/A HIS 200.A N VAL 196.A O no hydrogen 2.872 N/A ALA 201.A N ARG 197.A O no hydrogen 2.759 N/A LYS 202.A N TYR 198.A O no hydrogen 2.987 N/A ALA 203.A N ASN 199.A O no hydrogen 2.989 N/A LEU 204.A N HIS 200.A O no hydrogen 2.903 N/A TYR 205.A N ALA 201.A O no hydrogen 2.951 N/A LEU 206.A N LYS 202.A O no hydrogen 2.946 N/A ASP 207.A N ALA 203.A O no hydrogen 3.065 N/A SER 208.A N TYR 205.A O no hydrogen 2.901 N/A ARG 209.A N LEU 204.A O no hydrogen 2.880 N/A ARG 209.A NE ASP 207.A OD2 no hydrogen 2.872 N/A ARG 209.A NH2 ASP 207.A OD2 no hydrogen 3.252 N/A SER 213.A N ARG 209.A O no hydrogen 3.020 N/A SER 213.A OG ALA 201.A O no hydrogen 2.787 N/A LEU 214.A N TYR 210.A O no hydrogen 2.979 N/A TYR 215.A N GLU 211.A O no hydrogen 3.010 N/A GLN 216.A N GLU 212.A O no hydrogen 3.024 N/A VAL 217.A N SER 213.A O no hydrogen 2.837 N/A ASN 218.A N LEU 214.A O no hydrogen 2.832 N/A LYS 219.A N TYR 215.A O no hydrogen 2.997 N/A ALA 220.A N GLN 216.A O no hydrogen 2.930 N/A ILE 221.A N VAL 217.A O no hydrogen 2.857 N/A GLU 222.A N.A ASN 218.A O no hydrogen 2.980 N/A GLU 222.A N.B ASN 218.A O no hydrogen 2.976 N/A ILE 223.A N LYS 219.A O no hydrogen 3.013 N/A SER 224.A N ALA 220.A O no hydrogen 2.851 N/A SER 224.A OG ALA 220.A O no hydrogen 3.052 N/A CYS 225.A N ILE 221.A O no hydrogen 2.978 N/A CYS 225.A SG ILE 221.A O no hydrogen 3.435 N/A ARG 226.A N GLU 222.A O.A no hydrogen 3.067 N/A ARG 226.A N GLU 222.A O.B no hydrogen 3.050 N/A ARG 226.A NH1 GLU 190.A OE2 no hydrogen 2.996 N/A ARG 226.A NH2 GLU 190.A OE1 no hydrogen 3.179 N/A ILE 227.A N ILE 223.A O no hydrogen 3.111 N/A ASN 228.A N CYS 225.A O no hydrogen 3.207 N/A SER 229.A N SER 224.A O no hydrogen 2.900 N/A SER 229.A OG GLU 191.A OE2 no hydrogen 3.350 N/A GLN 235.A N GLN 235.A OE1 no hydrogen 2.493 N/A GLN 235.A NE2 ALA 231.A O no hydrogen 3.416 N/A LEU 236.A N LEU 232.A O no hydrogen 2.931 N/A TYR 237.A N ILE 233.A O no hydrogen 3.080 N/A TYR 238.A N GLY 234.A O no hydrogen 3.036 N/A TYR 238.A OH ALA 276.A O no hydrogen 3.347 N/A GLN 239.A N GLN 235.A O no hydrogen 2.830 N/A ARG 240.A N LEU 236.A O no hydrogen 2.786 N/A ARG 240.A NE ASN 218.A OD1 no hydrogen 2.905 N/A ARG 240.A NH2 ASN 218.A OD1 no hydrogen 3.170 N/A GLY 241.A N TYR 237.A O no hydrogen 2.911 N/A GLU 242.A N TYR 238.A O no hydrogen 2.896 N/A CYS 243.A N GLN 239.A O no hydrogen 2.960 N/A CYS 243.A SG TYR 210.A O no hydrogen 3.855 N/A CYS 243.A SG SER 213.A OG no hydrogen 3.221 N/A CYS 243.A SG GLN 239.A O no hydrogen 3.483 N/A LEU 244.A N ARG 240.A O no hydrogen 2.834 N/A ARG 245.A N GLY 241.A O no hydrogen 3.007 N/A ARG 245.A NE TYR 258.A OH no hydrogen 3.289 N/A ARG 245.A NH2 GLU 242.A OE2 no hydrogen 3.016 N/A LYS 246.A N GLU 242.A O no hydrogen 3.244 N/A LYS 246.A NZ TYR 205.A OH no hydrogen 3.365 N/A LEU 247.A N CYS 243.A O no hydrogen 2.911 N/A GLU 248.A N ARG 245.A O no hydrogen 3.175 N/A TYR 249.A N LEU 244.A O no hydrogen 3.097 N/A ILE 254.A N GLU 250.A O no hydrogen 3.235 N/A GLU 255.A N GLU 251.A O no hydrogen 2.901 N/A ASP 256.A N ALA 252.A O no hydrogen 2.864 N/A ALA 257.A N GLU 253.A O no hydrogen 3.268 N/A TYR 258.A N ILE 254.A O no hydrogen 3.394 N/A TYR 258.A OH GLU 242.A OE2 no hydrogen 2.665 N/A LYS 259.A N GLU 255.A O no hydrogen 2.940 N/A LYS 260.A N ASP 256.A O no hydrogen 3.009 N/A LYS 260.A NZ ASP 256.A OD1 no hydrogen 2.931 N/A LYS 260.A NZ ASP 256.A OD2 no hydrogen 2.895 N/A ALA 261.A N ALA 257.A O no hydrogen 3.081 N/A SER 262.A N TYR 258.A O no hydrogen 2.904 N/A PHE 263.A N LYS 259.A O no hydrogen 2.845 N/A PHE 264.A N LYS 260.A O no hydrogen 3.235 N/A PHE 265.A N ALA 261.A O no hydrogen 2.885 N/A ASP 266.A N.A SER 262.A O no hydrogen 3.053 N/A ASP 266.A N.B SER 262.A O no hydrogen 3.031 N/A ILE 267.A N PHE 263.A O no hydrogen 3.147 N/A LEU 268.A N PHE 264.A O no hydrogen 2.889 N/A GLU 269.A N ASP 266.A O.A no hydrogen 3.121 N/A GLU 269.A N ASP 266.A O.B no hydrogen 2.757 N/A MET 270.A N PHE 265.A O no hydrogen 2.811 N/A HIS 271.A N GLU 269.A O no hydrogen 3.060 N/A LYS 274.A N HIS 271.A O no hydrogen 3.040 N/A LYS 274.A NZ ASP 266.A OD1.A no hydrogen 2.936 N/A GLU 275.A N ALA 272.A O no hydrogen 3.098 N/A LEU 277.A N LYS 274.A O no hydrogen 3.292 N/A VAL 278.A N GLU 275.A O no hydrogen 2.906 N/A LYS 280.A NZ GLU 242.A OE2 no hydrogen 3.157 N/A