Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p4e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 1.A O no hydrogen 3.030 N/A LEU 6.A N ALA 2.A O no hydrogen 3.062 N/A VAL 7.A N GLY 3.A O no hydrogen 3.115 N/A GLU 8.A N ASN 4.A O no hydrogen 3.136 N/A ARG 9.A N ALA 5.A O no hydrogen 2.962 N/A ARG 9.A NH1 ASP 95.A OD1 no hydrogen 3.082 N/A ARG 9.A NH2 ASP 95.A OD1 no hydrogen 2.512 N/A ILE 10.A N LEU 6.A O no hydrogen 2.955 N/A LYS 11.A N GLU 8.A O no hydrogen 3.320 N/A LYS 11.A NZ.A GLU 8.A OE2 no hydrogen 3.361 N/A VAL 14.A N ILE 10.A O no hydrogen 2.952 N/A LYS 15.A N LYS 11.A O no hydrogen 2.913 N/A ARG 16.A N GLY 12.A O no hydrogen 2.891 N/A ARG 16.A NH1 ASP 106.A OD1 no hydrogen 2.828 N/A ARG 16.A NH2 SER 102.A O no hydrogen 3.423 N/A ARG 16.A NH2 ASP 106.A OD1 no hydrogen 2.853 N/A THR 17.A N VAL 14.A O no hydrogen 3.023 N/A THR 17.A OG1 VAL 14.A O no hydrogen 2.687 N/A ARG 18.A N LYS 15.A O no hydrogen 3.135 N/A ARG 18.A NH1 GLY 24.A O no hydrogen 2.939 N/A ARG 18.A NH2 GLY 24.A O no hydrogen 3.035 N/A ARG 19.A NE GLU 21.A OE1 no hydrogen 2.802 N/A ARG 19.A NH1 GLU 79.A OE2 no hydrogen 2.938 N/A ARG 19.A NH1 GLY 112.A O no hydrogen 2.870 N/A ARG 19.A NH2 GLU 21.A OE1 no hydrogen 3.477 N/A ARG 19.A NH2 GLU 21.A OE2 no hydrogen 3.064 N/A ARG 19.A NH2 GLU 79.A OE2 no hydrogen 2.779 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.769 N/A VAL 22.A N ARG 19.A O no hydrogen 3.055 N/A MET 23.A N LEU 26.A O no hydrogen 2.960 N/A CYS 27.A SG GLU 28.A O no hydrogen 3.500 N/A GLU 28.A N GLU 21.A O no hydrogen 2.902 N/A TYR 33.A N PRO 30.A O no hydrogen 3.531 N/A TYR 33.A OH GLU 79.A OE1 no hydrogen 2.650 N/A LYS 34.A N GLU 143.A OE1 no hydrogen 2.847 N/A HIS 35.A N GLU 143.A OE2 no hydrogen 2.662 N/A VAL 37.A N VAL 142.A O no hydrogen 2.756 N/A VAL 39.A N GLY 140.A O no hydrogen 2.897 N/A GLY 41.A N CYS 138.A O no hydrogen 3.107 N/A THR 42.A OG1 GLY 136.A O no hydrogen 2.791 N/A ASP 43.A N GLY 136.A O no hydrogen 3.046 N/A THR 47.A OG1 SER 173.A OG.A no hydrogen 3.038 N/A LYS 48.A NZ ASP 64.A OD1 no hydrogen 2.811 N/A LYS 48.A NZ ASP 64.A OD2 no hydrogen 3.251 N/A LYS 48.A NZ HIS 168.A O no hydrogen 2.761 N/A LYS 48.A NZ ALA 201.A O no hydrogen 2.840 N/A LEU 49.A N GLY 46.A O.A no hydrogen 3.113 N/A LEU 49.A N GLY 46.A O.B no hydrogen 3.305 N/A ARG 50.A N THR 47.A O no hydrogen 2.930 N/A ARG 50.A NH1 ASP 131.A OD1 no hydrogen 2.935 N/A ARG 50.A NH1 ASP 131.A OD2 no hydrogen 3.448 N/A ARG 50.A NH2 ASP 131.A OD2 no hydrogen 2.750 N/A LEU 51.A N THR 47.A O no hydrogen 3.422 N/A ALA 52.A N LYS 48.A O no hydrogen 3.038 N/A LEU 53.A N LEU 49.A O no hydrogen 2.882 N/A ASP 54.A N ARG 50.A O no hydrogen 2.777 N/A MET 55.A N LEU 51.A O no hydrogen 2.945 N/A LYS 56.A N LEU 53.A O no hydrogen 3.137 N/A LYS 56.A NZ GLU 130.A OE1 no hydrogen 3.487 N/A LYS 57.A N ALA 52.A O no hydrogen 3.007 N/A LYS 57.A NZ ASP 59.A OD1 no hydrogen 2.747 N/A HIS 58.A ND1 TYR 132.A OH no hydrogen 2.770 N/A ILE 63.A N THR 60.A O no hydrogen 2.894 N/A ASP 64.A N THR 60.A O no hydrogen 3.452 N/A LEU 65.A N ILE 61.A O no hydrogen 3.013 N/A VAL 66.A N GLY 62.A O no hydrogen 3.105 N/A ALA 67.A N ILE 63.A O no hydrogen 2.885 N/A MET 68.A N ASP 64.A O no hydrogen 2.928 N/A CYS 69.A N LEU 65.A O no hydrogen 3.373 N/A CYS 69.A SG LEU 65.A O no hydrogen 3.565 N/A VAL 70.A N VAL 66.A O no hydrogen 2.817 N/A ASN 71.A N ALA 67.A O no hydrogen 2.873 N/A ASN 71.A ND2 LYS 204.A O no hydrogen 2.893 N/A ASN 71.A ND2 HIS 224.A NE2 no hydrogen 3.420 N/A ASP 72.A N MET 68.A O no hydrogen 3.372 N/A LEU 73.A N CYS 69.A O no hydrogen 3.276 N/A ILE 74.A N VAL 70.A O no hydrogen 3.049 N/A GLN 76.A N LEU 73.A O no hydrogen 3.198 N/A GLY 77.A N ILE 74.A O no hydrogen 2.891 N/A ALA 78.A N LEU 73.A O no hydrogen 3.362 N/A GLU 79.A N VAL 141.A O no hydrogen 2.832 N/A LEU 81.A N VAL 139.A O no hydrogen 2.838 N/A PHE 82.A N VAL 139.A O no hydrogen 3.112 N/A PHE 83.A N ALA 114.A O no hydrogen 2.773 N/A LEU 84.A N PHE 137.A O no hydrogen 2.921 N/A TYR 86.A N ALA 135.A O no hydrogen 2.893 N/A TYR 87.A N GLU 119.A O no hydrogen 2.864 N/A ALA 88.A N ASP 133.A O no hydrogen 2.866 N/A THR 89.A N ALA 121.A O no hydrogen 2.940 N/A THR 89.A OG1 LYS 91.A O no hydrogen 3.448 N/A THR 89.A OG1 ASP 131.A O no hydrogen 2.925 N/A LEU 92.A N GLU 122.A OE2.A no hydrogen 2.940 N/A LEU 92.A N GLU 122.A OE2.B no hydrogen 2.758 N/A THR 96.A N ASP 93.A OD1 no hydrogen 3.127 N/A ALA 97.A N ASP 93.A O no hydrogen 2.967 N/A ALA 98.A N VAL 94.A O no hydrogen 2.894 N/A GLU 99.A N ASP 95.A O no hydrogen 2.993 N/A VAL 100.A N THR 96.A O no hydrogen 2.955 N/A ILE 101.A N ALA 97.A O no hydrogen 2.895 N/A SER 102.A N ALA 98.A O no hydrogen 2.868 N/A SER 102.A OG.B ALA 98.A O no hydrogen 2.886 N/A GLY 103.A N GLU 99.A O no hydrogen 3.169 N/A ILE 104.A N VAL 100.A O no hydrogen 2.964 N/A ALA 105.A N ILE 101.A O no hydrogen 2.917 N/A ASP 106.A N SER 102.A O no hydrogen 2.919 N/A GLY 107.A N GLY 103.A O no hydrogen 2.975 N/A CYS 108.A N ILE 104.A O no hydrogen 2.901 N/A CYS 108.A SG ILE 104.A O no hydrogen 3.359 N/A LEU 109.A N ALA 105.A O no hydrogen 2.995 N/A GLN 110.A N ASP 106.A O no hydrogen 3.186 N/A ALA 111.A N GLY 107.A O no hydrogen 2.863 N/A GLY 112.A N LEU 109.A O no hydrogen 3.319 N/A CYS 113.A N CYS 108.A O no hydrogen 3.043 N/A CYS 113.A SG CYS 108.A O no hydrogen 3.984 N/A ALA 114.A N LEU 81.A O no hydrogen 2.975 N/A LEU 115.A N THR 17.A OG1 no hydrogen 2.910 N/A ILE 116.A N PHE 83.A O no hydrogen 2.956 N/A GLU 119.A N ASP 85.A O no hydrogen 2.857 N/A ALA 121.A N TYR 87.A O no hydrogen 2.771 N/A MET 123.A N THR 89.A O no hydrogen 2.716 N/A MET 126.A N MET 123.A O no hydrogen 3.107 N/A ASP 131.A N GLU 128.A O no hydrogen 3.070 N/A TYR 132.A OH HIS 58.A ND1 no hydrogen 2.770 N/A ASP 133.A N ALA 88.A O no hydrogen 2.816 N/A ALA 135.A N TYR 86.A O no hydrogen 2.885 N/A GLY 136.A N ASP 43.A O no hydrogen 2.837 N/A PHE 137.A N LEU 84.A O no hydrogen 2.882 N/A CYS 138.A N GLY 41.A O no hydrogen 2.956 N/A CYS 138.A SG.A PHE 82.A O no hydrogen 3.403 N/A CYS 138.A SG.A VAL 139.A O no hydrogen 3.738 N/A CYS 138.A SG.B GLY 41.A O no hydrogen 3.555 N/A CYS 138.A SG.B CYS 69.A O no hydrogen 3.694 N/A VAL 139.A N PHE 82.A O no hydrogen 2.961 N/A GLY 140.A N VAL 39.A O no hydrogen 2.763 N/A VAL 141.A N GLU 79.A O no hydrogen 2.928 N/A VAL 142.A N VAL 37.A O no hydrogen 3.017 N/A LYS 144.A N HIS 35.A O no hydrogen 2.831 N/A GLU 146.A N GLU 143.A O no hydrogen 2.845 N/A ILE 147.A N LYS 144.A O no hydrogen 3.387 N/A ILE 148.A N GLN 76.A O no hydrogen 3.040 N/A SER 151.A N ASP 149.A OD1 no hydrogen 3.041 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.729 N/A LYS 152.A NZ ASP 218.A OD1.A no hydrogen 2.442 N/A VAL 153.A N GLY 150.A O no hydrogen 3.228 N/A GLN 154.A N ASP 157.A OD2 no hydrogen 2.907 N/A GLN 154.A NE2.A VAL 153.A O no hydrogen 3.170 N/A GLY 156.A N ILE 310.A O no hydrogen 2.789 N/A ASP 157.A N GLN 154.A O no hydrogen 3.018 N/A ALA 158.A N LEU 285.A O no hydrogen 2.828 N/A LEU 159.A N GLY 308.A O no hydrogen 2.912 N/A ILE 160.A N ILE 283.A O no hydrogen 2.829 N/A ALA 161.A N TRP 305.A O no hydrogen 2.901 N/A VAL 162.A N LEU 281.A O no hydrogen 2.881 N/A GLY 163.A N THR 303.A O no hydrogen 2.774 N/A SER 164.A N GLY 278.A O no hydrogen 3.026 N/A SER 164.A OG GLY 166.A O no hydrogen 3.269 N/A SER 164.A OG ASN 276.A OD1 no hydrogen 2.712 N/A SER 165.A N HIS 168.A NE2 no hydrogen 2.995 N/A SER 165.A OG PRO 202.A O no hydrogen 2.704 N/A SER 169.A OG THR 203.A OG1 no hydrogen 3.290 N/A ASN 170.A N PRO 167.A O no hydrogen 3.366 N/A TYR 172.A OH HIS 168.A O no hydrogen 3.376 N/A TYR 172.A OH LEU 199.A O no hydrogen 2.612 N/A SER 173.A OG.A THR 47.A OG1 no hydrogen 3.038 N/A VAL 175.A N GLY 171.A O no hydrogen 2.913 N/A ARG 176.A N TYR 172.A O no hydrogen 2.955 N/A ARG 176.A NE ASP 54.A OD2 no hydrogen 2.776 N/A ARG 176.A NH2 ASP 54.A OD1 no hydrogen 3.139 N/A ARG 176.A NH2 ASP 54.A OD2 no hydrogen 3.312 N/A LYS 177.A N SER 173.A O no hydrogen 3.071 N/A LYS 177.A NZ.A SER 173.A OG.B no hydrogen 3.205 N/A ILE 178.A N LEU 174.A O no hydrogen 2.871 N/A LEU 179.A N VAL 175.A O no hydrogen 2.907 N/A GLU 180.A N ARG 176.A O no hydrogen 2.817 N/A VAL 181.A N LYS 177.A O no hydrogen 2.913 N/A SER 182.A N ILE 178.A O no hydrogen 3.036 N/A SER 182.A OG ILE 178.A O no hydrogen 2.668 N/A LYS 183.A N GLU 180.A O no hydrogen 3.324 N/A ALA 184.A N LEU 179.A O no hydrogen 3.143 N/A ASN 187.A N ASP 185.A OD1 no hydrogen 2.921 N/A GLU 188.A N ASP 185.A O no hydrogen 3.152 N/A LEU 190.A N LYS 193.A O no hydrogen 2.800 N/A LYS 193.A N LEU 190.A O no hydrogen 3.091 N/A THR 194.A N GLU 197.A OE1 no hydrogen 2.895 N/A ILE 195.A N GLU 188.A O no hydrogen 2.848 N/A GLY 196.A N LYS 186.A O no hydrogen 2.940 N/A GLU 197.A N THR 194.A OG1 no hydrogen 2.996 N/A HIS 198.A N THR 194.A O no hydrogen 2.926 N/A HIS 198.A NE2 LEU 190.A O no hydrogen 2.636 N/A LEU 199.A N ILE 195.A O no hydrogen 2.928 N/A LEU 200.A N GLY 196.A O no hydrogen 2.919 N/A THR 203.A N ASP 64.A OD1 no hydrogen 2.769 N/A THR 203.A OG1 ASP 64.A OD1 no hydrogen 2.671 N/A THR 203.A OG1 SER 169.A OG no hydrogen 3.290 N/A LYS 204.A N HIS 168.A NE2 no hydrogen 3.254 N/A LYS 204.A NZ ILE 205.A O no hydrogen 3.405 N/A LYS 204.A NZ GLU 302.A OE1 no hydrogen 2.629 N/A LYS 204.A NZ GLU 302.A OE2 no hydrogen 2.978 N/A TYR 206.A N ASN 71.A OD1 no hydrogen 2.937 N/A TYR 206.A OH GLY 163.A O no hydrogen 2.708 N/A SER 209.A OG TYR 206.A O no hydrogen 3.427 N/A SER 209.A OG GLU 302.A OE2 no hydrogen 2.695 N/A GLY 210.A N TYR 206.A O no hydrogen 2.808 N/A LEU 211.A N ILE 207.A O no hydrogen 2.860 N/A LYS 212.A N LYS 208.A O no hydrogen 3.393 N/A LEU 213.A N SER 209.A O no hydrogen 2.916 N/A ILE 214.A N GLY 210.A O no hydrogen 2.946 N/A ALA 215.A N LEU 211.A O no hydrogen 3.082 N/A GLU 216.A N LYS 212.A O no hydrogen 3.080 N/A GLU 216.A N LEU 213.A O no hydrogen 3.217 N/A HIS 217.A N LEU 213.A O no hydrogen 2.972 N/A HIS 217.A ND1 GLN 289.A OE1 no hydrogen 2.882 N/A ASP 218.A N GLN 289.A OE1 no hydrogen 2.924 N/A HIS 220.A N ALA 284.A O no hydrogen 2.877 N/A HIS 220.A ND1 ASP 157.A OD2 no hydrogen 2.719 N/A HIS 220.A NE2 ASP 218.A OD2.A no hydrogen 2.813 N/A SER 223.A N ILE 282.A O no hydrogen 2.822 N/A SER 223.A OG ASN 233.A O no hydrogen 2.715 N/A HIS 224.A ND1 ASP 72.A OD1 no hydrogen 2.790 N/A ILE 225.A N GLY 280.A O no hydrogen 2.911 N/A GLY 229.A N THR 226.A O no hydrogen 3.051 N/A PHE 230.A N PHE 275.A O no hydrogen 2.991 N/A TRP 231.A N TYR 272.A O no hydrogen 2.974 N/A GLU 232.A N GLY 228.A O no hydrogen 3.220 N/A ASN 233.A N GLY 229.A O no hydrogen 3.168 N/A ASN 233.A ND2 GLY 227.A O no hydrogen 2.882 N/A ASN 233.A ND2 GLY 229.A O no hydrogen 2.770 N/A ILE 234.A N PHE 230.A O no hydrogen 3.296 N/A ARG 236.A N ASN 233.A O no hydrogen 3.145 N/A ARG 236.A NH1.A ASN 233.A OD1 no hydrogen 2.465 N/A ARG 236.A NH2.A ASN 233.A OD1 no hydrogen 2.787 N/A VAL 237.A N ILE 234.A O no hydrogen 3.249 N/A LEU 238.A N PRO 235.A O no hydrogen 3.096 N/A THR 242.A N PRO 239.A O no hydrogen 3.258 N/A THR 242.A OG1 PRO 239.A O no hydrogen 2.658 N/A LYS 243.A N ALA 311.A O no hydrogen 2.883 N/A LYS 243.A NZ GLU 317.A OE2 no hydrogen 2.801 N/A LYS 243.A NZ GLU 321.A OE1 no hydrogen 2.735 N/A ALA 244.A N GLN 319.A O no hydrogen 2.753 N/A VAL 245.A N GLU 309.A O no hydrogen 2.854 N/A ILE 246.A N GLU 321.A O no hydrogen 2.733 N/A ASP 247.A N ILE 307.A O no hydrogen 2.704 N/A GLY 248.A N ASN 323.A O no hydrogen 2.812 N/A LYS 249.A N ASP 247.A OD1 no hydrogen 2.988 N/A SER 250.A N ASP 247.A O no hydrogen 3.056 N/A SER 250.A OG ASP 247.A O no hydrogen 2.740 N/A TRP 251.A NE1 CYS 277.A O no hydrogen 2.887 N/A TRP 253.A NE1 TYR 272.A OH no hydrogen 3.107 N/A PHE 257.A N PRO 254.A O no hydrogen 3.012 N/A GLN 258.A NE2 GLU 252.A OE2 no hydrogen 3.060 N/A GLN 258.A NE2 TRP 253.A O no hydrogen 2.872 N/A TRP 259.A N VAL 255.A O no hydrogen 2.867 N/A TRP 259.A NE1 GLU 188.A OE1.B no hydrogen 2.846 N/A TRP 259.A NE1 GLU 188.A OE2.A no hydrogen 3.179 N/A LEU 260.A N ILE 256.A O no hydrogen 2.939 N/A GLN 261.A N PHE 257.A O no hydrogen 3.001 N/A GLN 261.A NE2 VAL 266.A O no hydrogen 3.040 N/A GLN 261.A NE2 THR 268.A OG1 no hydrogen 2.873 N/A GLU 262.A N GLN 258.A O no hydrogen 3.039 N/A LYS 263.A N TRP 259.A O no hydrogen 2.874 N/A GLY 264.A N LEU 260.A O no hydrogen 2.907 N/A ASN 265.A N GLU 262.A O no hydrogen 3.469 N/A VAL 266.A N GLN 261.A O no hydrogen 3.095 N/A GLU 270.A N THR 267.A OG1 no hydrogen 2.987 N/A MET 271.A N THR 267.A O no hydrogen 2.937 N/A TYR 272.A N THR 268.A O no hydrogen 2.959 N/A ARG 273.A N HIS 269.A O no hydrogen 3.368 N/A ARG 273.A N GLU 270.A O no hydrogen 3.049 N/A ARG 273.A NH1 HIS 269.A O no hydrogen 2.969 N/A THR 274.A N MET 271.A O no hydrogen 3.150 N/A THR 274.A OG1 GLU 270.A O no hydrogen 2.752 N/A PHE 275.A N MET 271.A O no hydrogen 2.895 N/A ASN 276.A ND2 GLY 166.A O no hydrogen 2.885 N/A CYS 277.A SG MET 271.A O no hydrogen 3.802 N/A CYS 277.A SG PHE 275.A O no hydrogen 3.670 N/A GLY 278.A N ASN 276.A OD1 no hydrogen 2.865 N/A VAL 279.A N ASN 276.A O no hydrogen 3.107 N/A GLY 280.A N VAL 162.A O no hydrogen 2.784 N/A LEU 281.A N VAL 162.A O no hydrogen 3.317 N/A ILE 282.A N SER 223.A O no hydrogen 2.982 N/A ILE 283.A N ILE 160.A O no hydrogen 2.776 N/A ALA 284.A N ALA 221.A O no hydrogen 2.897 N/A LEU 285.A N ALA 158.A O no hydrogen 3.152 N/A LYS 287.A NZ GLU 309.A OE1 no hydrogen 2.659 N/A GLN 289.A N PRO 286.A O no hydrogen 3.082 N/A GLN 289.A NE2 ASP 218.A OD2.B no hydrogen 3.027 N/A ALA 290.A N LYS 287.A O no hydrogen 3.122 N/A ALA 293.A N GLN 289.A O no hydrogen 2.941 N/A VAL 294.A N ALA 290.A O no hydrogen 2.939 N/A ALA 295.A N ASN 291.A O no hydrogen 3.032 N/A LEU 296.A N ALA 292.A O no hydrogen 2.932 N/A LEU 297.A N ALA 293.A O no hydrogen 2.933 N/A GLN 298.A N VAL 294.A O no hydrogen 2.978 N/A GLN 298.A NE2 ALA 304.A O no hydrogen 3.445 N/A ALA 299.A N ALA 295.A O no hydrogen 2.897 N/A GLU 300.A N LEU 296.A O no hydrogen 2.986 N/A GLU 300.A N LEU 297.A O no hydrogen 3.094 N/A GLY 301.A N GLN 298.A O no hydrogen 3.030 N/A GLU 302.A N LEU 297.A O no hydrogen 2.953 N/A TRP 305.A N ALA 161.A O no hydrogen 3.072 N/A ILE 307.A N LEU 159.A O no hydrogen 2.888 N/A GLY 308.A N LEU 159.A O no hydrogen 3.286 N/A GLU 309.A N VAL 245.A O no hydrogen 3.140 N/A ILE 310.A N ASP 157.A O no hydrogen 2.918 N/A ALA 311.A N LYS 243.A O no hydrogen 2.940 N/A ALA 313.A N GLY 241.A O no hydrogen 2.922 N/A ASN 314.A N GLU 317.A OE1 no hydrogen 2.833 N/A ASN 316.A N ASN 314.A OD1 no hydrogen 3.028 N/A GLU 317.A N ASN 314.A O no hydrogen 3.412 N/A GLU 317.A N ASN 314.A OD1 no hydrogen 3.102 N/A GLU 321.A N ALA 244.A O no hydrogen 2.929 N/A ASN 323.A N ILE 246.A O no hydrogen 2.845 N/A