Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x6x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N SER 2.A OG no hydrogen 2.743 N/A CYS 3.A SG ARG 46.A O no hydrogen 3.472 N/A ASN 4.A ND2 ASP 7.A OD2 no hydrogen 3.030 N/A ASP 7.A N ASN 4.A O no hydrogen 2.842 N/A MET 8.A N PRO 5.A O no hydrogen 3.171 N/A HIS 10.A ND1 HIS 22.A NE2 no hydrogen 2.936 N/A HIS 10.A NE2 PRO 5.A O no hydrogen 2.756 N/A GLY 11.A N PHE 23.A O no hydrogen 2.779 N/A TYR 12.A OH GLU 69.A OE2 no hydrogen 2.386 N/A VAL 13.A N LEU 21.A O no hydrogen 2.939 N/A VAL 15.A N VAL 19.A O no hydrogen 2.860 N/A LYS 16.A N VAL 19.A O no hydrogen 3.446 N/A LYS 16.A NZ GLU 87.A OE2 no hydrogen 2.814 N/A VAL 19.A N LYS 16.A O no hydrogen 2.787 N/A ARG 20.A N SER 71.A OG no hydrogen 2.887 N/A LEU 21.A N VAL 13.A O no hydrogen 2.778 N/A HIS 22.A N SER 70.A OG no hydrogen 2.801 N/A HIS 22.A ND1 ASP 63.A OD2 no hydrogen 2.749 N/A HIS 22.A NE2 HIS 10.A ND1 no hydrogen 2.936 N/A PHE 23.A N GLY 11.A O no hydrogen 2.931 N/A VAL 24.A N ALA 61.A O no hydrogen 2.917 N/A GLU 25.A N SER 9.A O no hydrogen 3.050 N/A LEU 26.A N VAL 59.A O no hydrogen 3.006 N/A VAL 32.A N ARG 58.A O no hydrogen 2.799 N/A CYS 33.A N VAL 101.A O no hydrogen 2.767 N/A CYS 33.A SG LEU 60.A O no hydrogen 4.048 N/A LEU 34.A N LEU 60.A O no hydrogen 2.863 N/A CYS 35.A N ILE 103.A O no hydrogen 2.822 N/A HIS 36.A ND1 GLY 37.A O no hydrogen 2.797 N/A PHE 38.A N ASP 106.A OD1 no hydrogen 2.928 N/A GLU 40.A N GLY 37.A O no hydrogen 3.044 N/A TRP 42.A N ASP 63.A OD1 no hydrogen 3.247 N/A TYR 43.A N SER 41.A OG no hydrogen 3.070 N/A SER 44.A N SER 41.A O no hydrogen 2.929 N/A SER 44.A OG GLU 40.A OE2 no hydrogen 2.672 N/A SER 44.A OG TYR 221.A OH no hydrogen 2.701 N/A TRP 45.A N TRP 42.A O no hydrogen 2.953 N/A ARG 46.A N TYR 43.A O no hydrogen 3.056 N/A ARG 46.A NE GLU 217.A OE2 no hydrogen 2.866 N/A ARG 46.A NH1 TYR 43.A O no hydrogen 2.905 N/A ARG 46.A NH1 TYR 221.A OH no hydrogen 3.055 N/A GLN 48.A N TRP 45.A O no hydrogen 2.803 N/A GLN 48.A NE2 GLN 298.A O no hydrogen 3.692 N/A ILE 49.A N TRP 45.A O no hydrogen 2.947 N/A LEU 52.A N GLN 48.A O no hydrogen 2.845 N/A ALA 53.A N ILE 49.A O no hydrogen 3.050 N/A GLN 54.A N PRO 50.A O no hydrogen 2.833 N/A ALA 55.A N ALA 51.A O no hydrogen 2.936 N/A GLY 56.A N ALA 53.A O no hydrogen 3.060 N/A TYR 57.A N LEU 52.A O no hydrogen 3.176 N/A TYR 57.A OH ASP 314.A OD1 no hydrogen 2.650 N/A ARG 58.A N PRO 30.A O no hydrogen 2.938 N/A ARG 58.A NE GLU 25.A OE2 no hydrogen 2.886 N/A ARG 58.A NH2 GLU 25.A OE2 no hydrogen 2.920 N/A VAL 59.A N LEU 26.A O no hydrogen 2.763 N/A LEU 60.A N VAL 32.A O no hydrogen 2.784 N/A ALA 61.A N VAL 24.A O no hydrogen 2.828 N/A MET 62.A N LEU 34.A O no hydrogen 3.136 N/A ASP 63.A N HIS 22.A O no hydrogen 2.850 N/A MET 64.A N HIS 36.A NE2 no hydrogen 3.143 N/A LYS 65.A NZ GLU 78.A O no hydrogen 2.865 N/A LYS 65.A NZ GLU 78.A OE1 no hydrogen 2.786 N/A LYS 65.A NZ GLU 87.A OE1 no hydrogen 3.344 N/A LYS 65.A NZ GLU 87.A OE2 no hydrogen 2.729 N/A GLY 66.A N SER 71.A O no hydrogen 2.905 N/A TYR 67.A N MET 64.A O no hydrogen 3.038 N/A GLU 69.A N ASP 63.A OD2 no hydrogen 3.048 N/A SER 70.A N TYR 67.A O no hydrogen 2.919 N/A SER 70.A OG ASP 63.A O no hydrogen 2.588 N/A SER 71.A N ARG 20.A O no hydrogen 2.963 N/A SER 71.A OG ARG 18.A O no hydrogen 3.505 N/A SER 71.A OG ARG 20.A O no hydrogen 3.380 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.793 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.714 N/A GLU 78.A N GLU 75.A O no hydrogen 3.288 N/A TYR 79.A N ILE 76.A O no hydrogen 3.049 N/A TYR 79.A OH PRO 73.A O no hydrogen 2.571 N/A CYS 80.A N GLU 77.A O no hydrogen 3.411 N/A CYS 80.A SG GLU 77.A O no hydrogen 3.425 N/A MET 81.A N ASN 243.A OD1 no hydrogen 2.826 N/A LEU 84.A N CYS 80.A O no hydrogen 2.984 N/A CYS 85.A N MET 81.A O no hydrogen 2.793 N/A CYS 85.A SG MET 81.A O no hydrogen 3.359 N/A CYS 85.A SG LEU 111.A O no hydrogen 3.920 N/A LYS 86.A N GLU 82.A O no hydrogen 3.093 N/A LYS 86.A NZ GLU 82.A OE2 no hydrogen 3.124 N/A GLU 87.A N VAL 83.A O no hydrogen 3.038 N/A MET 88.A N LEU 84.A O no hydrogen 3.121 N/A VAL 89.A N CYS 85.A O no hydrogen 3.050 N/A THR 90.A N LYS 86.A O no hydrogen 3.007 N/A THR 90.A OG1 LYS 86.A O no hydrogen 3.145 N/A PHE 91.A N GLU 87.A O no hydrogen 2.864 N/A LEU 92.A N MET 88.A O no hydrogen 3.182 N/A ASP 93.A N VAL 89.A O no hydrogen 2.995 N/A LYS 94.A N THR 90.A O no hydrogen 2.915 N/A LYS 94.A NZ THR 14.A O no hydrogen 2.768 N/A LEU 95.A N PHE 91.A O no hydrogen 3.070 N/A GLY 96.A N ASP 93.A O no hydrogen 3.023 N/A LEU 97.A N LEU 92.A O no hydrogen 2.908 N/A GLN 99.A NE2 GLU 121.A O no hydrogen 2.967 N/A ALA 100.A N ARG 122.A O no hydrogen 3.032 N/A VAL 101.A N ALA 31.A O no hydrogen 2.936 N/A PHE 102.A N ALA 125.A O no hydrogen 2.962 N/A ILE 103.A N CYS 33.A O no hydrogen 2.939 N/A GLY 104.A N ALA 127.A O no hydrogen 2.942 N/A HIS 105.A N CYS 35.A O no hydrogen 3.044 N/A HIS 105.A NE2 HIS 295.A O no hydrogen 2.813 N/A ASP 106.A N LEU 129.A O no hydrogen 3.477 N/A MET 110.A N ASP 106.A O no hydrogen 3.086 N/A LEU 111.A N TRP 107.A O no hydrogen 3.008 N/A VAL 112.A N GLY 108.A O no hydrogen 2.994 N/A TRP 113.A N GLY 109.A O no hydrogen 3.155 N/A TRP 113.A NE1 THR 131.A O no hydrogen 2.922 N/A TYR 114.A N MET 110.A O no hydrogen 3.188 N/A MET 115.A N LEU 111.A O no hydrogen 2.896 N/A ALA 116.A N VAL 112.A O no hydrogen 2.941 N/A LEU 117.A N TRP 113.A O no hydrogen 2.852 N/A PHE 118.A N TYR 114.A O no hydrogen 2.940 N/A TYR 119.A N MET 115.A O no hydrogen 2.760 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.827 N/A ARG 122.A N TYR 119.A O no hydrogen 2.978 N/A ARG 122.A NE SER 98.A O no hydrogen 2.785 N/A ARG 122.A NH1 ASP 93.A OD1 no hydrogen 2.876 N/A ARG 122.A NH1 LEU 97.A O no hydrogen 2.823 N/A ARG 122.A NH2 ASP 93.A OD1 no hydrogen 2.746 N/A VAL 123.A N PRO 120.A O no hydrogen 3.095 N/A ARG 124.A N ALA 100.A O no hydrogen 2.880 N/A ARG 124.A NH1 ARG 124.A O no hydrogen 3.045 N/A VAL 126.A N PRO 258.A O no hydrogen 2.954 N/A ALA 127.A N PHE 102.A O no hydrogen 2.875 N/A SER 128.A N LEU 260.A O no hydrogen 2.947 N/A SER 128.A OG THR 131.A O no hydrogen 2.722 N/A LEU 129.A N GLY 104.A O no hydrogen 2.781 N/A ASN 130.A N VAL 262.A O no hydrogen 2.768 N/A ASN 130.A ND2 ASP 267.A OD2 no hydrogen 2.733 N/A THR 131.A N LEU 129.A O no hydrogen 2.901 N/A THR 131.A OG1 ASP 106.A O no hydrogen 2.671 N/A ASN 139.A N ASN 137.A OD1 no hydrogen 2.957 N/A ASN 139.A ND2 ASN 137.A OD1 no hydrogen 3.579 N/A GLU 144.A N SER 141.A OG no hydrogen 3.209 N/A SER 145.A N SER 141.A O no hydrogen 3.221 N/A SER 145.A OG SER 141.A O no hydrogen 3.367 N/A ILE 146.A N PRO 142.A O no hydrogen 3.138 N/A LYS 147.A N LEU 143.A O no hydrogen 3.422 N/A ALA 148.A N GLU 144.A O no hydrogen 3.176 N/A ASN 149.A N ILE 146.A O no hydrogen 3.360 N/A PHE 152.A N ASN 149.A O no hydrogen 3.212 N/A ASP 153.A N PRO 150.A O no hydrogen 3.122 N/A GLN 155.A N PHE 152.A O no hydrogen 3.197 N/A LEU 156.A N ASP 153.A O no hydrogen 2.852 N/A TYR 157.A OH GLU 167.A OE1 no hydrogen 2.614 N/A PHE 158.A N TYR 154.A O no hydrogen 3.178 N/A GLN 159.A N LEU 156.A O no hydrogen 3.123 N/A GLN 159.A NE2 GLN 155.A O no hydrogen 2.865 N/A GLN 159.A NE2 TYR 237.A O no hydrogen 2.997 N/A GLY 162.A N GLU 165.A OE1 no hydrogen 2.791 N/A VAL 163.A N GLU 160.A O no hydrogen 3.363 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.841 N/A ALA 166.A N GLY 162.A O no hydrogen 3.049 N/A GLU 167.A N VAL 163.A O no hydrogen 3.455 N/A LEU 168.A N ALA 164.A O no hydrogen 2.939 N/A GLU 169.A N GLU 165.A O no hydrogen 2.859 N/A ARG 174.A N ASN 171.A OD1 no hydrogen 3.177 N/A ARG 174.A NE PRO 204.A O no hydrogen 3.013 N/A ARG 174.A NH2 PHE 200.A O no hydrogen 3.106 N/A ARG 174.A NH2 SER 203.A O no hydrogen 2.830 N/A ARG 174.A NH2 PRO 204.A O no hydrogen 3.087 N/A THR 175.A N ASN 171.A O no hydrogen 2.937 N/A THR 175.A OG1 LEU 168.A O no hydrogen 2.716 N/A THR 175.A OG1 ASN 171.A O no hydrogen 3.354 N/A PHE 176.A N LEU 172.A O no hydrogen 3.071 N/A LYS 177.A N SER 173.A O no hydrogen 2.965 N/A LYS 177.A NZ GLU 215.A OE1 no hydrogen 2.805 N/A LYS 177.A NZ GLU 215.A OE2 no hydrogen 3.519 N/A SER 178.A N ARG 174.A O no hydrogen 2.914 N/A SER 178.A OG ARG 174.A O no hydrogen 2.638 N/A LEU 179.A N THR 175.A O no hydrogen 3.040 N/A PHE 180.A N PHE 176.A O no hydrogen 2.847 N/A ARG 181.A NE GLU 185.A O no hydrogen 2.763 N/A ARG 181.A NH1 LYS 177.A O no hydrogen 2.864 N/A ARG 181.A NH1 SER 208.A O no hydrogen 2.784 N/A ARG 181.A NH2 SER 208.A OG no hydrogen 2.989 N/A ALA 182.A N GLU 185.A OE2 no hydrogen 2.919 N/A SER 183.A OG LYS 266.A O no hydrogen 2.634 N/A GLU 185.A N ALA 182.A O no hydrogen 2.881 N/A SER 186.A N SER 183.A O no hydrogen 3.353 N/A LEU 188.A N SER 186.A OG no hydrogen 3.315 N/A VAL 193.A N ASP 153.A OD2 no hydrogen 3.052 N/A CYS 194.A N ASP 153.A OD2 no hydrogen 3.485 N/A GLY 197.A N VAL 193.A O no hydrogen 2.928 N/A LEU 199.A N GLU 167.A OE1 no hydrogen 2.839 N/A PHE 200.A N GLU 167.A OE2 no hydrogen 2.702 N/A SER 210.A OG GLU 185.A OE2 no hydrogen 2.604 N/A ARG 211.A N GLU 185.A OE1 no hydrogen 2.967 N/A ARG 211.A NH1 ASP 184.A OD2 no hydrogen 3.464 N/A ARG 211.A NH2 ASP 184.A OD1 no hydrogen 2.363 N/A ARG 211.A NH2 ASP 184.A OD2 no hydrogen 3.298 N/A MET 212.A N SER 210.A OG no hydrogen 2.893 N/A VAL 213.A N SER 210.A O no hydrogen 3.275 N/A THR 214.A N GLU 217.A OE1 no hydrogen 2.968 N/A THR 214.A OG1 GLU 216.A OE1 no hydrogen 3.506 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.783 N/A GLU 217.A N THR 214.A OG1 no hydrogen 3.028 N/A ILE 218.A N THR 214.A O no hydrogen 3.054 N/A GLN 219.A N GLU 215.A O no hydrogen 2.955 N/A GLN 219.A NE2 GLU 215.A OE2 no hydrogen 2.808 N/A PHE 220.A N GLU 216.A O no hydrogen 3.175 N/A PHE 220.A N GLU 217.A O no hydrogen 3.166 N/A TYR 221.A N GLU 217.A O no hydrogen 3.491 N/A TYR 221.A OH SER 44.A OG no hydrogen 2.701 N/A VAL 222.A N ILE 218.A O no hydrogen 3.060 N/A GLN 223.A N GLN 219.A O no hydrogen 2.956 N/A GLN 224.A N PHE 220.A O no hydrogen 2.954 N/A PHE 225.A N TYR 221.A O no hydrogen 2.984 N/A LYS 226.A N VAL 222.A O no hydrogen 3.250 N/A LYS 227.A N GLN 224.A O no hydrogen 3.297 N/A GLY 229.A N PHE 225.A O no hydrogen 2.898 N/A PHE 230.A N GLU 169.A OE2 no hydrogen 2.745 N/A ARG 231.A NE PRO 74.A O no hydrogen 2.883 N/A ARG 231.A NH2 PRO 74.A O no hydrogen 2.839 N/A LEU 234.A N PHE 230.A O no hydrogen 2.892 N/A ASN 235.A N ARG 231.A O no hydrogen 2.942 N/A ASN 235.A ND2 PRO 74.A O no hydrogen 3.095 N/A TRP 236.A N PRO 233.A O no hydrogen 3.157 N/A TRP 236.A NE1 LYS 65.A O no hydrogen 3.012 N/A TYR 237.A N LEU 234.A O no hydrogen 2.932 N/A ARG 238.A N ASN 235.A O no hydrogen 3.061 N/A ARG 238.A NE PHE 158.A O no hydrogen 2.719 N/A ARG 238.A NH1 GLU 165.A OE2 no hydrogen 2.853 N/A ARG 238.A NH1 ASN 235.A OD1 no hydrogen 2.971 N/A ARG 238.A NH2 PHE 158.A O no hydrogen 3.033 N/A ARG 238.A NH2 GLU 165.A OE1 no hydrogen 2.980 N/A ARG 238.A NH2 GLU 165.A OE2 no hydrogen 3.441 N/A ASN 239.A ND2 ILE 76.A O no hydrogen 2.935 N/A ASN 239.A ND2 ASN 235.A O no hydrogen 2.949 N/A ARG 242.A NE ASN 239.A OD1 no hydrogen 2.937 N/A ARG 242.A NH2 ASN 239.A OD1 no hydrogen 2.918 N/A ASN 243.A N ASN 239.A O no hydrogen 2.878 N/A TRP 244.A N MET 240.A O no hydrogen 3.041 N/A TRP 244.A NE1 ASN 137.A O no hydrogen 2.890 N/A LYS 245.A N GLU 241.A O no hydrogen 2.979 N/A TRP 246.A N ARG 242.A O no hydrogen 2.964 N/A ALA 247.A N ASN 243.A O no hydrogen 2.855 N/A CYS 248.A N TRP 244.A O no hydrogen 2.962 N/A CYS 248.A SG TRP 244.A O no hydrogen 3.310 N/A LYS 249.A N TRP 246.A O no hydrogen 2.961 N/A SER 250.A N ALA 247.A O no hydrogen 3.152 N/A LEU 251.A N CYS 248.A O no hydrogen 3.097 N/A ARG 253.A N SER 250.A O no hydrogen 3.427 N/A ARG 253.A NE SER 250.A O no hydrogen 3.019 N/A LYS 254.A NZ ASP 280.A O no hydrogen 2.871 N/A ILE 255.A N TRP 281.A O no hydrogen 3.019 N/A ALA 259.A N HIS 284.A O no hydrogen 3.437 N/A LEU 260.A N VAL 126.A O no hydrogen 2.858 N/A MET 261.A N LYS 286.A O no hydrogen 2.933 N/A VAL 262.A N SER 128.A O no hydrogen 2.908 N/A THR 263.A N GLY 288.A O no hydrogen 2.997 N/A THR 263.A OG1 GLY 288.A O no hydrogen 3.384 N/A THR 263.A OG1 HIS 289.A ND1 no hydrogen 2.675 N/A GLU 265.A N ILE 290.A O no hydrogen 3.052 N/A LYS 266.A N CYS 293.A O no hydrogen 2.799 N/A ASP 267.A N ALA 264.A O no hydrogen 3.260 N/A VAL 269.A N ASP 267.A OD1 no hydrogen 2.982 N/A LEU 270.A N ASP 267.A OD1 no hydrogen 2.887 N/A MET 274.A N VAL 271.A O no hydrogen 3.083 N/A SER 275.A N PRO 272.A O no hydrogen 3.064 N/A SER 275.A OG PRO 272.A O no hydrogen 2.687 N/A GLN 276.A N GLN 273.A O no hydrogen 3.115 N/A MET 278.A N SER 275.A O no hydrogen 3.220 N/A ASP 280.A N HIS 277.A O no hydrogen 3.268 N/A TRP 281.A N MET 278.A O no hydrogen 3.284 N/A TRP 281.A NE1 PHE 133.A O no hydrogen 3.110 N/A LEU 285.A N ILE 282.A O no hydrogen 3.265 N/A LYS 286.A N ALA 259.A O no hydrogen 2.760 N/A ARG 287.A NE GLU 279.A OE1 no hydrogen 3.146 N/A ARG 287.A NH1 SER 275.A OG no hydrogen 3.050 N/A ARG 287.A NH2 SER 275.A O no hydrogen 2.729 N/A ARG 287.A NH2 GLU 279.A OE1 no hydrogen 3.561 N/A ARG 287.A NH2 GLU 279.A OE2 no hydrogen 2.733 N/A GLY 288.A N MET 261.A O no hydrogen 2.917 N/A HIS 289.A ND1 THR 263.A OG1 no hydrogen 2.675 N/A ILE 290.A N THR 263.A O no hydrogen 2.931 N/A ASP 292.A N GLU 265.A OE1 no hydrogen 2.843 N/A CYS 293.A SG GLY 294.A O no hydrogen 3.608 N/A GLY 294.A N ASP 300.A OD2 no hydrogen 2.874 N/A HIS 295.A ND1 ASP 267.A OD2 no hydrogen 2.689 N/A THR 297.A N HIS 295.A O no hydrogen 2.907 N/A THR 297.A OG1 ASN 130.A OD1 no hydrogen 2.674 N/A THR 297.A OG1 GLY 294.A O no hydrogen 3.550 N/A THR 297.A OG1 HIS 295.A O no hydrogen 3.258 N/A GLN 298.A N GLN 298.A OE1 no hydrogen 2.860 N/A MET 299.A N TRP 296.A O no hydrogen 3.032 N/A ASP 300.A N TRP 296.A O no hydrogen 2.895 N/A LYS 301.A N THR 297.A O no hydrogen 3.035 N/A LYS 301.A NZ ASP 292.A O no hydrogen 3.089 N/A LYS 301.A NZ ASP 292.A OD2 no hydrogen 3.150 N/A LYS 301.A NZ ASP 300.A OD1 no hydrogen 3.282 N/A GLU 304.A N GLU 304.A OE1 no hydrogen 2.756 N/A VAL 305.A N LYS 301.A O no hydrogen 2.994 N/A ASN 306.A N PRO 302.A O no hydrogen 2.887 N/A GLN 307.A N THR 303.A O no hydrogen 3.068 N/A ILE 308.A N GLU 304.A O no hydrogen 3.051 N/A LEU 309.A N VAL 305.A O no hydrogen 2.900 N/A ILE 310.A N ASN 306.A O no hydrogen 2.911 N/A LYS 311.A N GLN 307.A O no hydrogen 2.969 N/A TRP 312.A N ILE 308.A O no hydrogen 3.095 N/A LEU 313.A N LEU 309.A O no hydrogen 2.812 N/A ASP 314.A N ILE 310.A O no hydrogen 2.967 N/A SER 315.A N LYS 311.A O no hydrogen 3.186 N/A SER 315.A N TRP 312.A O no hydrogen 3.273 N/A SER 315.A OG LYS 311.A O no hydrogen 3.217 N/A SER 315.A OG TRP 312.A O no hydrogen 3.042 N/A SER 315.A OG ASP 316.A OD2 no hydrogen 3.287 N/A ASP 316.A N TRP 312.A O no hydrogen 3.127 N/A