Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 3.A OD2 no hydrogen 3.009 N/A GLU 6.A N ASP 3.A OD1 no hydrogen 3.330 N/A MET 7.A N ASP 3.A O no hydrogen 3.112 N/A VAL 8.A N PRO 4.A O no hydrogen 2.928 N/A ARG 9.A N PHE 5.A O no hydrogen 3.158 N/A LYS 10.A N GLU 6.A O no hydrogen 3.076 N/A LYS 10.A NZ GLU 126.A OE2 no hydrogen 3.249 N/A LYS 10.A NZ ASN 127.A OD1 no hydrogen 2.813 N/A MET 11.A N MET 7.A O no hydrogen 2.845 N/A GLY 14.A N CYS 263.A O no hydrogen 2.681 N/A THR 15.A N ASN 48.A O no hydrogen 2.953 N/A THR 15.A OG1 ASN 16.A O no hydrogen 3.046 N/A ASN 16.A N VAL 265.A O no hydrogen 2.814 N/A ASN 16.A ND2 GLY 232.A O no hydrogen 2.776 N/A ASN 16.A ND2 VAL 265.A O no hydrogen 2.928 N/A LEU 17.A N ARG 50.A O no hydrogen 2.862 N/A GLY 18.A N ASP 267.A O no hydrogen 2.906 N/A ASN 19.A N GLU 22.A OE2 no hydrogen 2.662 N/A THR 20.A N GLU 22.A OE1 no hydrogen 2.782 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.804 N/A ALA 23.A N THR 20.A O no hydrogen 3.251 N/A SER 28.A N TYR 25.A O no hydrogen 3.065 N/A SER 28.A OG TYR 25.A O no hydrogen 2.981 N/A SER 30.A N ASN 19.A O no hydrogen 2.987 N/A SER 30.A OG ASN 268.A O no hydrogen 2.588 N/A LYS 31.A NZ TYR 36.A OH no hydrogen 2.890 N/A LYS 31.A NZ ARG 278.A O no hydrogen 2.747 N/A LYS 31.A NZ ASP 279.A OD1 no hydrogen 2.823 N/A ALA 33.A N GLU 26.A OE2 no hydrogen 2.820 N/A TYR 36.A OH ARG 278.A O no hydrogen 3.175 N/A TYR 37.A N MET 34.A O no hydrogen 3.112 N/A TYR 37.A OH SER 32.A O no hydrogen 2.673 N/A PHE 38.A N GLU 35.A O no hydrogen 3.049 N/A ASP 40.A N TYR 36.A O no hydrogen 2.975 N/A PHE 41.A N TYR 37.A O no hydrogen 2.774 N/A LYS 42.A N PHE 38.A O no hydrogen 2.969 N/A LYS 42.A NZ ARG 85.A O no hydrogen 3.109 N/A ALA 43.A N ASP 39.A O no hydrogen 3.040 N/A ALA 44.A N ASP 40.A O no hydrogen 2.814 N/A GLY 45.A N PHE 41.A O no hydrogen 3.266 N/A GLY 45.A N LYS 42.A O no hydrogen 3.002 N/A TYR 46.A N PHE 41.A O no hydrogen 3.169 N/A LYS 47.A N MET 13.A O no hydrogen 2.909 N/A ASN 48.A ND2 MET 11.A O no hydrogen 2.929 N/A ASN 48.A ND2 CYS 263.A O no hydrogen 2.923 N/A VAL 49.A N VAL 88.A O no hydrogen 2.998 N/A ARG 50.A N THR 15.A O no hydrogen 2.892 N/A ARG 50.A NE GLU 131.A OE1 no hydrogen 2.707 N/A ARG 50.A NH1 ASN 16.A OD1 no hydrogen 2.873 N/A ARG 50.A NH1 GLU 233.A OE2 no hydrogen 2.929 N/A ARG 50.A NH2 GLU 131.A OE1 no hydrogen 3.020 N/A ARG 50.A NH2 GLU 131.A OE2 no hydrogen 2.992 N/A ARG 50.A NH2 ASN 134.A OD1 no hydrogen 2.956 N/A ILE 51.A N ILE 90.A O no hydrogen 2.683 N/A VAL 53.A N ASN 92.A OD1 no hydrogen 3.047 N/A ARG 54.A N LEU 21.A O no hydrogen 3.000 N/A ARG 54.A NE GLU 22.A O no hydrogen 2.942 N/A ARG 54.A NH2 GLU 22.A O no hydrogen 3.015 N/A TRP 55.A N ASP 96.A OD2 no hydrogen 3.036 N/A TRP 55.A NE1 ASN 92.A O no hydrogen 2.869 N/A ASP 56.A N ASP 96.A OD1 no hydrogen 2.813 N/A ASN 57.A ND2 PRO 24.A O no hydrogen 2.979 N/A HIS 58.A N TRP 55.A O no hydrogen 2.969 N/A THR 59.A N ASP 56.A O no hydrogen 3.356 N/A THR 59.A OG1 TRP 55.A O no hydrogen 2.687 N/A MET 60.A N THR 66.A O no hydrogen 2.965 N/A TYR 65.A N THR 62.A O no hydrogen 2.943 N/A ILE 67.A N GLN 116.A OE1 no hydrogen 2.852 N/A ASP 68.A N HIS 58.A O no hydrogen 2.771 N/A LYS 69.A NZ ASP 73.A OD2 no hydrogen 3.289 N/A PHE 71.A N ASP 68.A O no hydrogen 3.131 N/A LEU 72.A N ASP 68.A O no hydrogen 3.174 N/A ASP 73.A N LYS 69.A O no hydrogen 2.707 N/A ARG 74.A N ALA 70.A O no hydrogen 2.891 N/A ARG 74.A NE GLU 26.A OE1 no hydrogen 2.828 N/A ARG 74.A NH1 GLN 77.A OE1 no hydrogen 2.875 N/A ARG 74.A NH2 GLU 26.A OE1 no hydrogen 3.526 N/A ARG 74.A NH2 GLU 26.A OE2 no hydrogen 2.765 N/A ARG 74.A NH2 ALA 33.A O no hydrogen 2.695 N/A VAL 75.A N PHE 71.A O no hydrogen 2.818 N/A GLU 76.A N LEU 72.A O no hydrogen 2.941 N/A GLN 77.A N ASP 73.A O no hydrogen 2.984 N/A VAL 78.A N ARG 74.A O no hydrogen 3.148 N/A VAL 79.A N VAL 75.A O no hydrogen 2.907 N/A ASP 80.A N GLU 76.A O no hydrogen 2.737 N/A TRP 81.A N GLN 77.A O no hydrogen 3.009 N/A SER 82.A N VAL 78.A O no hydrogen 3.114 N/A SER 82.A OG THR 89.A OG1 no hydrogen 2.670 N/A LEU 83.A N VAL 79.A O no hydrogen 2.815 N/A SER 84.A N ASP 80.A O no hydrogen 3.107 N/A SER 84.A OG ASP 80.A O no hydrogen 2.877 N/A SER 84.A OG TRP 81.A O no hydrogen 3.189 N/A ARG 85.A N SER 82.A O no hydrogen 3.243 N/A ARG 85.A NE ASP 39.A OD1 no hydrogen 2.794 N/A ARG 85.A NH1 GLU 35.A OE2 no hydrogen 3.146 N/A ARG 85.A NH1 TRP 81.A O no hydrogen 3.367 N/A ARG 85.A NH2 GLU 35.A OE2 no hydrogen 2.715 N/A ARG 85.A NH2 ASP 39.A OD1 no hydrogen 3.167 N/A GLY 86.A N LEU 83.A O no hydrogen 3.043 N/A PHE 87.A N SER 82.A O no hydrogen 3.347 N/A VAL 88.A N LYS 47.A O no hydrogen 3.178 N/A THR 89.A N ASN 127.A O no hydrogen 2.652 N/A THR 89.A OG1 SER 82.A OG no hydrogen 2.670 N/A THR 89.A OG1 PHE 87.A O no hydrogen 3.231 N/A ILE 90.A N VAL 49.A O no hydrogen 2.997 N/A ILE 91.A N LEU 129.A O no hydrogen 3.208 N/A ASN 92.A ND2 GLU 131.A OE1 no hydrogen 3.313 N/A SER 93.A OG ASP 96.A OD2 no hydrogen 2.654 N/A HIS 94.A N VAL 53.A O no hydrogen 2.891 N/A HIS 94.A NE2 GLU 233.A OE2 no hydrogen 3.251 N/A TRP 98.A NE1 ASP 96.A OD1 no hydrogen 2.872 N/A LYS 100.A N ASP 97.A O no hydrogen 2.789 N/A LYS 100.A NZ GLU 135.A O no hydrogen 2.675 N/A LYS 100.A NZ PRO 136.A O no hydrogen 3.123 N/A LYS 100.A NZ PHE 137.A O no hydrogen 3.055 N/A GLU 101.A N ASP 97.A O no hydrogen 3.268 N/A TYR 103.A OH ASP 147.A OD2 no hydrogen 2.583 N/A GLY 105.A N ASP 102.A OD1 no hydrogen 3.140 N/A ASN 106.A N ASP 102.A O no hydrogen 2.778 N/A ASN 106.A N TYR 103.A O no hydrogen 3.080 N/A ILE 107.A N TYR 103.A O no hydrogen 2.774 N/A ARG 109.A NE MET 60.A O no hydrogen 2.922 N/A ARG 109.A NH1 ASP 56.A OD1 no hydrogen 2.866 N/A ARG 109.A NH2 ASP 56.A O no hydrogen 2.842 N/A ARG 109.A NH2 ASP 56.A OD1 no hydrogen 3.349 N/A ARG 109.A NH2 THR 59.A O no hydrogen 2.802 N/A ARG 109.A NH2 MET 60.A O no hydrogen 3.410 N/A PHE 110.A N ASN 106.A O no hydrogen 3.198 N/A GLU 111.A N ILE 107.A O no hydrogen 2.882 N/A LYS 112.A N GLU 108.A O no hydrogen 2.908 N/A ILE 113.A N ARG 109.A O no hydrogen 2.969 N/A TRP 114.A N PHE 110.A O no hydrogen 3.118 N/A TRP 114.A NE1 ILE 132.A O no hydrogen 3.098 N/A GLU 115.A N GLU 111.A O no hydrogen 2.755 N/A GLN 116.A N LYS 112.A O no hydrogen 2.969 N/A GLN 116.A NE2 TYR 65.A O no hydrogen 2.905 N/A GLN 116.A NE2 LYS 112.A O no hydrogen 2.919 N/A ILE 117.A N ILE 113.A O no hydrogen 2.921 N/A ALA 118.A N TRP 114.A O no hydrogen 2.920 N/A GLU 119.A N GLU 115.A O no hydrogen 3.112 N/A ARG 120.A N GLN 116.A O no hydrogen 2.936 N/A ARG 120.A NE GLU 76.A OE1 no hydrogen 2.756 N/A ARG 120.A NH2 ASP 73.A OD1 no hydrogen 2.276 N/A ARG 120.A NH2 GLU 76.A OE1 no hydrogen 3.210 N/A PHE 121.A N ILE 117.A O no hydrogen 2.939 N/A LYS 122.A N GLU 119.A O no hydrogen 3.486 N/A LYS 122.A NZ GLU 119.A OE2 no hydrogen 2.764 N/A LYS 124.A N PHE 121.A O no hydrogen 3.038 N/A LYS 124.A NZ GLU 76.A OE2 no hydrogen 2.763 N/A LYS 124.A NZ ASP 80.A OD1 no hydrogen 2.837 N/A LYS 124.A NZ ASP 80.A OD2 no hydrogen 3.224 N/A ASN 127.A N SER 125.A OG no hydrogen 2.951 N/A LEU 128.A N SER 125.A O no hydrogen 2.920 N/A LEU 129.A N THR 89.A O no hydrogen 2.760 N/A PHE 130.A N ILE 164.A O no hydrogen 3.330 N/A GLU 131.A N ILE 91.A O no hydrogen 2.873 N/A ILE 132.A N ILE 166.A O no hydrogen 3.187 N/A ASN 134.A N SER 93.A O no hydrogen 2.824 N/A ILE 140.A N GLY 138.A O no hydrogen 2.858 N/A THR 141.A N GLN 144.A OE1 no hydrogen 3.337 N/A GLN 144.A N THR 141.A OG1 no hydrogen 3.104 N/A ILE 145.A N THR 141.A O no hydrogen 2.945 N/A ASP 146.A N ASP 142.A O no hydrogen 2.881 N/A ASP 147.A N GLU 143.A O no hydrogen 2.878 N/A MET 148.A N GLN 144.A O no hydrogen 2.830 N/A ASN 149.A N ILE 145.A O no hydrogen 2.999 N/A SER 150.A N ASP 146.A O no hydrogen 3.071 N/A SER 150.A OG ASP 146.A O no hydrogen 2.949 N/A ARG 151.A N ASP 147.A O no hydrogen 3.185 N/A ARG 151.A NE GLU 111.A OE2 no hydrogen 2.663 N/A ARG 151.A NH1 ASP 147.A OD2 no hydrogen 2.861 N/A ARG 151.A NH2 GLU 111.A OE2 no hydrogen 2.944 N/A ILE 152.A N MET 148.A O no hydrogen 2.982 N/A LEU 153.A N ASN 149.A O no hydrogen 2.971 N/A LYS 154.A N SER 150.A O no hydrogen 2.993 N/A ILE 155.A N ARG 151.A O no hydrogen 2.997 N/A ILE 156.A N ILE 152.A O no hydrogen 2.874 N/A ARG 157.A N LEU 153.A O no hydrogen 2.801 N/A ARG 157.A NE ASP 186.A OD2 no hydrogen 2.775 N/A ARG 157.A NH1 ASN 160.A O no hydrogen 2.780 N/A ARG 157.A NH1 ARG 163.A O no hydrogen 2.761 N/A ARG 157.A NH2 ARG 163.A O no hydrogen 2.966 N/A ARG 157.A NH2 ASP 186.A OD1 no hydrogen 3.157 N/A LYS 158.A N LYS 154.A O no hydrogen 3.263 N/A THR 159.A N ILE 156.A O no hydrogen 3.263 N/A ASN 160.A N ILE 156.A O no hydrogen 2.732 N/A ASN 160.A ND2 ALA 118.A O no hydrogen 3.043 N/A ASN 160.A ND2 ILE 156.A O no hydrogen 3.532 N/A ARG 163.A NE LEU 128.A O no hydrogen 2.599 N/A ARG 163.A NH1 LYS 122.A O no hydrogen 3.387 N/A ARG 163.A NH1 ASN 160.A OD1 no hydrogen 2.812 N/A ARG 163.A NH2 LYS 124.A O no hydrogen 2.579 N/A ARG 163.A NH2 SER 125.A O no hydrogen 2.421 N/A ARG 163.A NH2 LEU 128.A O no hydrogen 3.545 N/A VAL 165.A N TYR 188.A O no hydrogen 2.934 N/A ILE 166.A N PHE 130.A O no hydrogen 2.751 N/A ILE 167.A N ILE 190.A O no hydrogen 2.931 N/A GLY 169.A N THR 192.A O no hydrogen 2.772 N/A TYR 171.A N LEU 178.A O no hydrogen 2.990 N/A TRP 172.A N HIS 194.A O no hydrogen 3.255 N/A ASN 173.A N ASN 176.A O no hydrogen 3.041 N/A ASN 173.A ND2 ASN 176.A OD1 no hydrogen 2.971 N/A ASN 173.A ND2 TYR 196.A O no hydrogen 3.020 N/A TYR 175.A N ASN 173.A OD1 no hydrogen 2.866 N/A ASN 176.A N ASN 173.A OD1 no hydrogen 2.861 N/A LEU 178.A N TYR 171.A O no hydrogen 2.901 N/A ASN 180.A N GLY 169.A O no hydrogen 2.681 N/A ASN 180.A ND2 GLY 168.A O no hydrogen 2.765 N/A LYS 182.A NZ ASP 146.A OD2 no hydrogen 3.193 N/A TYR 188.A N ASP 186.A OD1 no hydrogen 2.732 N/A ILE 190.A N VAL 165.A O no hydrogen 2.900 N/A GLY 191.A N PRO 228.A O no hydrogen 3.007 N/A THR 192.A N ILE 167.A O no hydrogen 2.865 N/A THR 192.A OG1 TYR 230.A O no hydrogen 2.621 N/A PHE 193.A N TYR 230.A O no hydrogen 3.360 N/A TYR 196.A N TRP 172.A O no hydrogen 2.854 N/A TYR 199.A N ASP 197.A OD1 no hydrogen 3.420 N/A GLU 200.A N ASP 197.A O no hydrogen 3.316 N/A TRP 202.A N ALA 238.A O no hydrogen 3.328 N/A GLY 203.A N ASP 207.A OD2 no hydrogen 3.156 N/A THR 204.A N ASP 207.A OD2 no hydrogen 3.423 N/A ASP 207.A N THR 204.A OG1 no hydrogen 3.226 N/A MET 208.A N THR 204.A O no hydrogen 3.291 N/A ASP 209.A N GLN 205.A O no hydrogen 3.336 N/A THR 210.A N GLU 206.A O no hydrogen 3.015 N/A THR 210.A OG1 GLU 206.A O no hydrogen 3.014 N/A VAL 211.A N ASP 207.A O no hydrogen 3.122 N/A VAL 212.A N MET 208.A O no hydrogen 2.954 N/A ARG 213.A N ASP 209.A O no hydrogen 3.250 N/A VAL 214.A N THR 210.A O no hydrogen 3.003 N/A PHE 215.A N VAL 211.A O no hydrogen 2.798 N/A ASP 216.A N VAL 212.A O no hydrogen 2.742 N/A PHE 217.A N ARG 213.A O no hydrogen 2.948 N/A VAL 218.A N VAL 214.A O no hydrogen 2.870 N/A LYS 219.A N PHE 215.A O no hydrogen 2.881 N/A LYS 219.A NZ ASP 223.A OD1 no hydrogen 3.324 N/A LYS 219.A NZ ARG 259.A O no hydrogen 3.322 N/A SER 220.A N ASP 216.A O no hydrogen 2.992 N/A SER 220.A OG ASP 216.A O no hydrogen 3.207 N/A TRP 221.A N PHE 217.A O no hydrogen 2.974 N/A TRP 221.A NE1 ASN 180.A O no hydrogen 2.853 N/A SER 222.A N VAL 218.A O no hydrogen 2.737 N/A SER 222.A OG ILE 227.A O no hydrogen 2.595 N/A ASP 223.A N LYS 219.A O no hydrogen 2.810 N/A ARG 224.A N SER 220.A O no hydrogen 2.882 N/A ARG 224.A NH1 ARG 224.A O no hydrogen 2.887 N/A ASN 225.A N TRP 221.A O no hydrogen 2.936 N/A ASN 225.A ND2 TRP 221.A O no hydrogen 3.126 N/A ASN 226.A N ASP 223.A O no hydrogen 3.461 N/A ILE 227.A N SER 222.A O no hydrogen 3.189 N/A TYR 230.A N GLY 191.A O no hydrogen 2.869 N/A TYR 230.A OH SER 264.A OG no hydrogen 2.584 N/A PHE 231.A N ALA 262.A O no hydrogen 2.887 N/A PHE 234.A N SER 264.A O no hydrogen 3.337 N/A ARG 242.A NH1 ASP 284.A OD1 no hydrogen 2.897 N/A ARG 242.A NH1 ASP 284.A OD2 no hydrogen 3.425 N/A ARG 242.A NH1 GLU 286.A OE1 no hydrogen 2.963 N/A ARG 242.A NH2 ASP 284.A OD2 no hydrogen 2.702 N/A THR 243.A OG1 ASP 241.A OD2 no hydrogen 2.738 N/A SER 244.A OG ASP 241.A OD1 no hydrogen 3.005 N/A ARG 245.A N ASP 241.A O no hydrogen 3.121 N/A ARG 245.A NH2 TYR 249.A OH no hydrogen 3.343 N/A ARG 245.A NH2 ALA 274.A O no hydrogen 3.379 N/A VAL 246.A N ARG 242.A O no hydrogen 3.070 N/A LYS 247.A N THR 243.A O no hydrogen 3.151 N/A TRP 248.A N SER 244.A O no hydrogen 2.784 N/A TYR 249.A N ARG 245.A O no hydrogen 3.111 N/A ASP 250.A N VAL 246.A O no hydrogen 3.071 N/A PHE 251.A N LYS 247.A O no hydrogen 2.789 N/A ILE 252.A N TRP 248.A O no hydrogen 2.979 N/A SER 253.A N TYR 249.A O no hydrogen 3.274 N/A SER 253.A OG TYR 249.A O no hydrogen 2.455 N/A ASP 254.A N ASP 250.A O no hydrogen 3.244 N/A ALA 255.A N PHE 251.A O no hydrogen 2.995 N/A ALA 256.A N ILE 252.A O no hydrogen 2.891 N/A LEU 257.A N SER 253.A O no hydrogen 3.091 N/A GLU 258.A N ASP 254.A O no hydrogen 2.979 N/A ARG 259.A N ALA 255.A O no hydrogen 3.357 N/A ARG 259.A NE ALA 255.A O no hydrogen 2.901 N/A ARG 259.A NH1 ASP 216.A OD1 no hydrogen 2.512 N/A ARG 259.A NH2 ALA 255.A O no hydrogen 3.136 N/A GLY 260.A N LEU 257.A O no hydrogen 3.140 N/A PHE 261.A N ALA 256.A O no hydrogen 2.858 N/A ALA 262.A N VAL 229.A O no hydrogen 2.969 N/A CYS 263.A N GLY 12.A O no hydrogen 2.869 N/A SER 264.A N PHE 231.A O no hydrogen 3.006 N/A SER 264.A OG ASN 48.A OD1 no hydrogen 2.594 N/A SER 264.A OG TYR 230.A OH no hydrogen 2.584 N/A VAL 265.A N GLY 14.A O no hydrogen 2.848 N/A TRP 266.A N PHE 234.A O no hydrogen 3.166 N/A ASN 268.A N MET 273.A O no hydrogen 3.125 N/A GLY 269.A N ASP 267.A OD1 no hydrogen 2.863 N/A VAL 270.A N ASN 268.A OD1 no hydrogen 2.972 N/A ILE 275.A N ASP 267.A OD2 no hydrogen 2.921 N/A TYR 276.A N ASP 267.A OD2 no hydrogen 2.861 N/A TYR 276.A OH ASP 40.A OD2 no hydrogen 2.600 N/A ASN 277.A N THR 282.A O no hydrogen 2.748 N/A ARG 278.A NH1 LYS 31.A O no hydrogen 2.801 N/A ARG 278.A NH2 GLY 18.A O no hydrogen 2.850 N/A ASP 279.A N ASN 277.A OD1 no hydrogen 2.952 N/A THR 280.A N ASN 277.A OD1 no hydrogen 2.995 N/A THR 280.A OG1 THR 282.A OG1 no hydrogen 2.696 N/A ARG 281.A NE ASP 40.A OD2 no hydrogen 3.041 N/A ARG 281.A NH2 ASP 40.A OD1 no hydrogen 2.865 N/A THR 282.A OG1 THR 280.A OG1 no hydrogen 2.696 N/A ASP 284.A N ILE 275.A O no hydrogen 2.847 N/A ILE 287.A N ASP 284.A OD1 no hydrogen 3.333 N/A LEU 288.A N ASP 284.A O no hydrogen 3.175 N/A ASN 289.A N THR 285.A O no hydrogen 2.908 N/A ALA 290.A N GLU 286.A O no hydrogen 3.079 N/A LEU 291.A N ILE 287.A O no hydrogen 2.990 N/A LEU 291.A N LEU 288.A O no hydrogen 2.970 N/A PHE 292.A N ASN 289.A O no hydrogen 3.358 N/A