Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dxu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 SER 30.A O no hydrogen 3.610 N/A ASN 3.A ND2 ASN 7.A O no hydrogen 2.915 N/A ASN 3.A ND2 GLY 32.A O no hydrogen 3.073 N/A CYS 6.A N ASN 3.A O no hydrogen 2.882 N/A CYS 6.A SG ARG 35.A O no hydrogen 3.383 N/A ASN 7.A N ASN 3.A OD1 no hydrogen 3.000 N/A PHE 11.A N LYS 40.A O no hydrogen 2.713 N/A THR 14.A N GLU 17.A OE1 no hydrogen 2.783 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.852 N/A GLU 17.A N THR 14.A OG1 no hydrogen 3.133 N/A PHE 18.A N THR 14.A O no hydrogen 2.928 N/A PHE 18.A N LYS 15.A O no hydrogen 3.231 N/A ASN 19.A N GLU 16.A O no hydrogen 3.237 N/A LYS 23.A N ASP 20.A OD2 no hydrogen 3.090 N/A TYR 24.A N ASP 20.A O no hydrogen 3.014 N/A ILE 25.A N PHE 21.A O no hydrogen 2.949 N/A ALA 26.A N ASP 22.A O no hydrogen 2.966 N/A TYR 27.A N LYS 23.A O no hydrogen 2.820 N/A MET 28.A N TYR 24.A O no hydrogen 2.842 N/A GLU 29.A N ILE 25.A O no hydrogen 3.115 N/A SER 30.A N ALA 26.A O no hydrogen 2.884 N/A SER 30.A OG TYR 27.A O no hydrogen 2.645 N/A GLN 31.A N TYR 27.A O no hydrogen 3.301 N/A GLN 31.A N MET 28.A O no hydrogen 3.092 N/A GLN 31.A NE2 SER 30.A OG no hydrogen 3.024 N/A GLY 32.A N GLU 29.A O no hydrogen 2.922 N/A ALA 33.A N MET 28.A O no hydrogen 3.154 N/A ARG 35.A N GLY 32.A O no hydrogen 3.019 N/A ARG 35.A NE GLN 2.A O no hydrogen 3.314 N/A ARG 35.A NH1 GLU 208.A OE1 no hydrogen 2.942 N/A ARG 35.A NH1 GLU 208.A OE2 no hydrogen 3.240 N/A ARG 35.A NH2 GLN 2.A O no hydrogen 3.235 N/A ALA 36.A N ALA 33.A O no hydrogen 3.232 N/A GLY 37.A N HIS 34.A O no hydrogen 3.088 N/A ALA 39.A N VAL 263.A O no hydrogen 2.998 N/A LYS 40.A N MET 9.A O no hydrogen 3.028 N/A LYS 40.A NZ THR 255.A O no hydrogen 2.737 N/A LYS 40.A NZ GLU 260.A OE2 no hydrogen 2.823 N/A ILE 41.A N PHE 261.A O no hydrogen 2.919 N/A ILE 42.A N PHE 11.A O no hydrogen 2.830 N/A TRP 47.A N PRO 44.A O no hydrogen 2.964 N/A TRP 47.A NE1 GLN 141.A O no hydrogen 2.798 N/A LYS 48.A NZ GLU 51.A OE1 no hydrogen 3.523 N/A LYS 48.A NZ GLU 51.A OE2 no hydrogen 2.918 N/A ARG 50.A NE THR 52.A O no hydrogen 2.881 N/A ARG 50.A NH1 LEU 134.A O no hydrogen 2.626 N/A TYR 53.A OH HIS 195.A ND1 no hydrogen 2.717 N/A ASP 54.A N THR 52.A OG1 no hydrogen 2.938 N/A ILE 59.A N ILE 56.A O no hydrogen 3.346 N/A ILE 61.A N MET 86.A O no hydrogen 2.744 N/A LEU 65.A N TYR 126.A O no hydrogen 2.948 N/A GLN 66.A N LYS 81.A O no hydrogen 2.726 N/A GLN 66.A NE2 SER 123.A O no hydrogen 3.194 N/A GLN 67.A N PRO 124.A O no hydrogen 2.895 N/A GLN 67.A NE2 HIS 80.A NE2 no hydrogen 3.275 N/A GLN 67.A NE2 THR 178.A O no hydrogen 2.775 N/A VAL 68.A N TYR 79.A O no hydrogen 2.890 N/A SER 70.A N THR 77.A O no hydrogen 2.808 N/A ARG 72.A N VAL 75.A O no hydrogen 2.864 N/A VAL 75.A N ARG 72.A O no hydrogen 3.107 N/A PHE 76.A N LEU 238.A O no hydrogen 3.164 N/A THR 77.A N SER 70.A O no hydrogen 2.944 N/A GLN 78.A N VAL 236.A O no hydrogen 2.838 N/A TYR 79.A N VAL 68.A O no hydrogen 2.850 N/A LYS 81.A N GLN 66.A O no hydrogen 2.900 N/A LYS 83.A N PRO 64.A O no hydrogen 2.929 N/A MET 86.A N ILE 61.A O no hydrogen 3.062 N/A THR 87.A N GLU 90.A OE1 no hydrogen 3.043 N/A VAL 88.A N ILE 59.A O no hydrogen 2.775 N/A GLY 89.A N SER 57.A O no hydrogen 3.025 N/A GLU 90.A N THR 87.A OG1 no hydrogen 3.165 N/A TYR 91.A N THR 87.A O no hydrogen 2.875 N/A TYR 91.A OH ILE 125.A O no hydrogen 2.619 N/A ARG 92.A N VAL 88.A O no hydrogen 2.755 N/A ARG 92.A NH1 SER 57.A OG no hydrogen 3.240 N/A ARG 92.A NH2 SER 57.A OG no hydrogen 3.027 N/A HIS 93.A N GLY 89.A O no hydrogen 3.102 N/A LEU 94.A N GLU 90.A O no hydrogen 2.950 N/A ALA 95.A N TYR 91.A O no hydrogen 2.811 N/A ASN 96.A N ARG 92.A O no hydrogen 3.048 N/A SER 97.A N LEU 94.A O no hydrogen 3.211 N/A SER 97.A OG LEU 94.A O no hydrogen 2.762 N/A TYR 100.A N SER 97.A O no hydrogen 3.201 N/A GLN 101.A N SER 97.A O no hydrogen 2.826 N/A GLN 101.A NE2 ASN 96.A O no hydrogen 3.011 N/A THR 102.A OG1 HIS 275.A O no hydrogen 2.614 N/A HIS 105.A ND1 PRO 103.A O no hydrogen 2.692 N/A GLN 106.A N ASP 110.A OD1 no hydrogen 2.899 N/A LEU 111.A N ASN 107.A O no hydrogen 3.302 N/A GLU 112.A N PHE 108.A O no hydrogen 2.871 N/A ARG 113.A N GLU 109.A O no hydrogen 3.059 N/A ARG 113.A NE ASP 110.A OD2 no hydrogen 3.177 N/A ARG 113.A NH2 ASP 110.A OD2 no hydrogen 2.777 N/A LYS 114.A N ASP 110.A O no hydrogen 3.055 N/A TYR 115.A N LEU 111.A O no hydrogen 2.824 N/A TYR 115.A OH THR 178.A OG1 no hydrogen 2.674 N/A TRP 116.A N GLU 112.A O no hydrogen 3.142 N/A TRP 116.A NE1 TYR 203.A OH no hydrogen 2.910 N/A LYS 117.A N ARG 113.A O no hydrogen 3.053 N/A ASN 118.A N LYS 114.A O no hydrogen 2.896 N/A ASN 118.A ND2 LYS 114.A O no hydrogen 3.268 N/A ARG 119.A N TYR 115.A O no hydrogen 2.826 N/A ARG 119.A NE THR 178.A OG1 no hydrogen 3.083 N/A ARG 119.A NH1 GLN 67.A O no hydrogen 3.475 N/A ARG 119.A NH1 ARG 119.A O no hydrogen 2.742 N/A ARG 119.A NH2 GLN 67.A O no hydrogen 2.789 N/A TYR 121.A N ASN 118.A O no hydrogen 3.054 N/A ASN 122.A N ARG 119.A O no hydrogen 3.319 N/A TYR 126.A N LEU 65.A O no hydrogen 2.769 N/A GLY 127.A N PHE 172.A O no hydrogen 2.759 N/A ILE 130.A N LEU 170.A O no hydrogen 3.048 N/A GLY 132.A N PRO 168.A O no hydrogen 3.183 N/A SER 133.A OG GLU 281.A OE1 no hydrogen 2.609 N/A SER 133.A OG GLU 281.A OE2 no hydrogen 3.409 N/A LEU 134.A N GLU 281.A OE2 no hydrogen 2.919 N/A PHE 135.A N SER 133.A OG no hydrogen 3.264 N/A ASP 136.A N ALA 49.A O no hydrogen 3.031 N/A ASN 138.A N ASP 136.A OD1 no hydrogen 3.180 N/A THR 139.A N ASP 136.A O no hydrogen 2.912 N/A THR 139.A OG1 LYS 48.A O no hydrogen 3.397 N/A THR 139.A OG1 ALA 49.A O no hydrogen 2.655 N/A THR 139.A OG1 ASP 136.A O no hydrogen 3.507 N/A ASN 143.A ND2 THR 139.A O no hydrogen 2.822 N/A GLY 145.A N ASN 143.A OD1 no hydrogen 3.061 N/A HIS 146.A N ASN 143.A O no hydrogen 2.865 N/A ASP 152.A N THR 149.A OG1 no hydrogen 2.925 N/A LEU 153.A N THR 149.A O no hydrogen 3.148 N/A LEU 154.A N ILE 150.A O no hydrogen 2.965 N/A GLU 155.A N GLN 151.A O no hydrogen 3.006 N/A LYS 156.A N ASP 152.A O no hydrogen 2.901 N/A GLU 157.A N LEU 153.A O no hydrogen 2.909 N/A CYS 158.A N LEU 154.A O no hydrogen 2.871 N/A GLY 159.A N GLU 155.A O no hydrogen 2.743 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.856 N/A TYR 169.A N ALA 282.A O no hydrogen 2.885 N/A LEU 170.A N ILE 130.A O no hydrogen 2.711 N/A TYR 171.A N ALA 280.A O no hydrogen 2.805 N/A TYR 171.A OH ASP 129.A OD1 no hydrogen 2.893 N/A PHE 172.A N GLY 127.A O no hydrogen 2.755 N/A GLY 173.A N ASN 278.A O no hydrogen 3.024 N/A MET 174.A N THR 177.A OG1 no hydrogen 3.337 N/A LYS 176.A N ASN 274.A O no hydrogen 3.197 N/A LYS 176.A NZ ASN 122.A OD1 no hydrogen 2.674 N/A THR 177.A N MET 174.A O no hydrogen 3.172 N/A THR 178.A N GLN 67.A OE1 no hydrogen 2.756 N/A THR 178.A OG1 TYR 115.A OH no hydrogen 2.674 N/A THR 178.A OG1 LYS 176.A O no hydrogen 2.514 N/A PHE 179.A N GLY 272.A O no hydrogen 2.892 N/A TRP 181.A N ALA 237.A O no hydrogen 2.985 N/A TRP 181.A NE1 ILE 239.A O no hydrogen 3.041 N/A HIS 182.A N HIS 270.A O no hydrogen 3.131 N/A HIS 182.A ND1 ALA 180.A O no hydrogen 2.860 N/A THR 183.A OG1 ASP 187.A OD1 no hydrogen 2.709 N/A ASP 187.A N GLU 184.A O no hydrogen 2.948 N/A LEU 188.A N ASP 185.A O no hydrogen 3.058 N/A TYR 189.A N PHE 285.A O no hydrogen 3.019 N/A TYR 189.A OH GLU 29.A OE1 no hydrogen 3.423 N/A TYR 189.A OH GLU 29.A OE2 no hydrogen 2.628 N/A TYR 189.A OH THR 287.A OG1 no hydrogen 2.806 N/A SER 190.A N THR 264.A O no hydrogen 3.163 N/A SER 190.A OG THR 264.A OG1 no hydrogen 2.485 N/A ILE 191.A N ILE 283.A O no hydrogen 2.977 N/A ASN 192.A N MET 262.A O no hydrogen 2.749 N/A TYR 193.A N GLU 281.A O no hydrogen 2.796 N/A LEU 194.A N GLU 260.A O no hydrogen 3.264 N/A HIS 195.A N CYS 279.A O no hydrogen 2.785 N/A HIS 195.A ND1 TYR 53.A OH no hydrogen 2.717 N/A HIS 195.A NE2 GLU 281.A OE2 no hydrogen 2.732 N/A LEU 196.A N CYS 279.A O no hydrogen 3.400 N/A GLU 198.A N PHE 277.A O no hydrogen 2.874 N/A LYS 200.A N GLN 256.A O no hydrogen 2.841 N/A THR 201.A N PHE 273.A O no hydrogen 2.942 N/A THR 201.A OG1 THR 255.A OG1 no hydrogen 3.064 N/A TRP 202.A N ILE 254.A O no hydrogen 2.841 N/A TYR 203.A N ALA 271.A O no hydrogen 2.759 N/A TYR 203.A OH GLU 112.A OE1 no hydrogen 2.472 N/A VAL 204.A N ASN 252.A O no hydrogen 2.899 N/A VAL 205.A N TYR 269.A O no hydrogen 2.979 N/A HIS 209.A N PRO 206.A O no hydrogen 2.810 N/A GLY 210.A N PRO 207.A O no hydrogen 3.207 N/A ARG 212.A N HIS 209.A O no hydrogen 2.963 N/A ARG 212.A NH1 GLY 248.A O no hydrogen 3.154 N/A GLU 214.A N GLY 210.A O no hydrogen 3.114 N/A ARG 215.A N GLN 211.A O no hydrogen 2.936 N/A LEU 216.A N ARG 212.A O no hydrogen 3.034 N/A ALA 217.A N LEU 213.A O no hydrogen 2.847 N/A ARG 218.A N GLU 214.A O no hydrogen 2.934 N/A GLU 219.A N ARG 215.A O no hydrogen 3.131 N/A LEU 220.A N LEU 216.A O no hydrogen 2.815 N/A PHE 221.A N ALA 217.A O no hydrogen 2.820 N/A SER 225.A N PHE 221.A O no hydrogen 2.897 N/A ARG 226.A N PRO 222.A O no hydrogen 3.123 N/A GLY 227.A N GLY 223.A O no hydrogen 3.397 N/A CYS 228.A N SER 225.A O no hydrogen 3.369 N/A CYS 228.A SG HIS 234.A NE2 no hydrogen 3.565 N/A ARG 233.A N ALA 230.A O no hydrogen 2.916 N/A ARG 233.A NE SER 298.A O no hydrogen 3.050 N/A ARG 233.A NH1 GLU 184.A O no hydrogen 2.811 N/A ARG 233.A NH2 ASP 187.A OD1 no hydrogen 2.735 N/A ARG 233.A NH2 SER 298.A O no hydrogen 3.189 N/A HIS 234.A N PHE 231.A O no hydrogen 2.843 N/A LYS 235.A N LEU 232.A O no hydrogen 3.060 N/A LEU 238.A N PHE 76.A O no hydrogen 2.823 N/A SER 240.A N GLY 74.A O no hydrogen 2.812 N/A VAL 243.A N SER 240.A OG no hydrogen 3.272 N/A LEU 244.A N SER 240.A O no hydrogen 2.939 N/A LYS 245.A N PRO 241.A O no hydrogen 2.993 N/A GLU 246.A N THR 242.A O no hydrogen 2.909 N/A ASN 247.A N VAL 243.A O no hydrogen 3.151 N/A ASN 247.A N LEU 244.A O no hydrogen 3.169 N/A ASN 247.A ND2 VAL 243.A O no hydrogen 2.767 N/A GLY 248.A N LYS 245.A O no hydrogen 2.982 N/A ILE 249.A N LEU 244.A O no hydrogen 2.975 N/A ASN 252.A N VAL 204.A O no hydrogen 2.929 N/A ASN 252.A ND2 ASN 7.A OD1 no hydrogen 3.562 N/A ARG 253.A NH1 GLU 112.A OE1 no hydrogen 2.591 N/A ILE 254.A N TRP 202.A O no hydrogen 3.059 N/A THR 255.A OG1 THR 201.A OG1 no hydrogen 3.064 N/A GLN 256.A N LYS 200.A O no hydrogen 2.636 N/A GLN 256.A NE2 ASN 192.A OD1 no hydrogen 3.528 N/A GLU 257.A N GLU 260.A OE2 no hydrogen 2.992 N/A GLY 259.A N LEU 194.A O no hydrogen 2.875 N/A GLU 260.A N GLU 257.A O no hydrogen 3.204 N/A PHE 261.A N ILE 41.A O no hydrogen 2.979 N/A MET 262.A N ASN 192.A O no hydrogen 2.743 N/A VAL 263.A N ALA 39.A O no hydrogen 2.959 N/A THR 264.A N SER 190.A O no hydrogen 2.838 N/A THR 264.A OG1 SER 190.A OG no hydrogen 2.485 N/A PHE 265.A N GLY 37.A O no hydrogen 3.011 N/A TYR 267.A OH GLU 214.A OE2 no hydrogen 2.796 N/A GLY 268.A N PHE 265.A O no hydrogen 2.878 N/A TYR 269.A OH GLU 214.A OE2 no hydrogen 2.481 N/A HIS 270.A N HIS 182.A O no hydrogen 2.910 N/A HIS 270.A ND1 GLY 268.A O no hydrogen 2.939 N/A ALA 271.A N TYR 203.A O no hydrogen 3.043 N/A GLY 272.A N PHE 179.A O no hydrogen 3.013 N/A PHE 273.A N THR 201.A O no hydrogen 3.012 N/A ASN 274.A N THR 177.A O no hydrogen 2.961 N/A HIS 275.A N PRO 199.A O no hydrogen 2.839 N/A ASN 278.A N GLY 173.A O no hydrogen 3.122 N/A CYS 279.A N LEU 196.A O no hydrogen 2.946 N/A CYS 279.A SG ALA 280.A O no hydrogen 3.983 N/A ALA 280.A N TYR 171.A O no hydrogen 2.897 N/A GLU 281.A N TYR 193.A O no hydrogen 2.758 N/A ALA 282.A N TYR 169.A O no hydrogen 2.954 N/A ILE 283.A N ILE 191.A O no hydrogen 3.195 N/A PHE 285.A N TYR 189.A O no hydrogen 3.141 N/A THR 287.A OG1 TYR 189.A OH no hydrogen 2.806 N/A ARG 289.A N THR 287.A OG1 no hydrogen 3.182 N/A ARG 289.A NE GLU 29.A OE1 no hydrogen 3.021 N/A ARG 289.A NE GLU 29.A OE2 no hydrogen 3.126 N/A ARG 289.A NH2 GLU 29.A OE2 no hydrogen 2.775 N/A TRP 290.A N THR 287.A O no hydrogen 3.165 N/A TRP 290.A NE1 MET 186.A O no hydrogen 2.858 N/A ILE 291.A N PRO 288.A O no hydrogen 3.317 N/A GLY 294.A N TRP 290.A O no hydrogen 2.909 N/A LYS 295.A N ILE 291.A O no hydrogen 3.123 N/A LYS 295.A NZ ASP 292.A OD1 no hydrogen 3.053 N/A MET 296.A N TYR 293.A O no hydrogen 3.162 N/A GLN 299.A NE2 GLN 319.A OE1 no hydrogen 2.696 N/A CYS 300.A SG HIS 234.A NE2 no hydrogen 3.592 N/A CYS 302.A SG HIS 234.A NE2 no hydrogen 2.166 N/A ARG 306.A N GLY 303.A O no hydrogen 3.047 N/A VAL 307.A N GLN 330.A OE1 no hydrogen 3.276 N/A SER 310.A OG VAL 165.A O no hydrogen 3.321 N/A MET 311.A N THR 308.A O no hydrogen 3.065 N/A ASP 312.A N PHE 309.A O no hydrogen 3.050 N/A VAL 315.A N MET 311.A O no hydrogen 3.106 N/A ARG 316.A N ASP 312.A O no hydrogen 2.840 N/A ARG 316.A NH1 GLU 163.A OE1 no hydrogen 2.967 N/A ARG 316.A NH1 ASP 312.A OD2 no hydrogen 2.842 N/A ARG 316.A NH2 GLU 163.A OE2 no hydrogen 2.991 N/A ILE 317.A N ALA 313.A O no hydrogen 2.970 N/A LEU 318.A N PHE 314.A O no hydrogen 2.980 N/A GLN 319.A N VAL 315.A O no hydrogen 2.786 N/A GLN 319.A NE2 ALA 297.A O no hydrogen 2.748 N/A ARG 322.A N GLN 319.A O no hydrogen 2.937 N/A TYR 323.A N PRO 320.A O no hydrogen 3.389 N/A TYR 323.A OH ASP 312.A OD1 no hydrogen 3.007 N/A TYR 323.A OH ASP 312.A OD2 no hydrogen 2.571 N/A TRP 326.A N ARG 322.A O no hydrogen 3.058 N/A LYS 327.A N TYR 323.A O no hydrogen 2.781 N/A ARG 328.A N ASP 324.A O no hydrogen 3.056 N/A GLY 329.A N LEU 325.A O no hydrogen 3.175 N/A GLN 330.A N TRP 326.A O no hydrogen 3.051 N/A ASP 331.A N ARG 328.A O no hydrogen 3.250 N/A