Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xq6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N VAL 1.A O no hydrogen 2.973 N/A ARG 6.A N.A ALA 2.A O no hydrogen 2.768 N/A ARG 6.A N.B ALA 2.A O no hydrogen 2.743 N/A LEU 7.A N PRO 3.A O no hydrogen 3.309 N/A LEU 8.A N VAL 4.A O no hydrogen 2.774 N/A ARG 9.A N ARG 5.A O no hydrogen 2.836 N/A ARG 10.A N ARG 6.A O.A no hydrogen 3.073 N/A ARG 10.A N ARG 6.A O.B no hydrogen 3.000 N/A LEU 11.A N LEU 7.A O no hydrogen 2.936 N/A LEU 12.A N LEU 8.A O no hydrogen 2.866 N/A GLY 13.A N ARG 9.A O no hydrogen 2.980 N/A VAL 18.A N ASP 16.A OD1 no hydrogen 2.848 N/A LEU 19.A N ASP 16.A O no hydrogen 2.938 N/A ALA 20.A N PRO 17.A O no hydrogen 2.989 N/A SER 21.A N PHE 28.A O no hydrogen 2.971 N/A VAL 23.A N VAL 26.A O no hydrogen 2.980 N/A VAL 26.A N VAL 23.A O no hydrogen 2.946 N/A PHE 28.A N SER 21.A O no hydrogen 2.847 N/A LEU 32.A N HIS 293.A NE2 no hydrogen 3.152 N/A GLY 33.A N LEU 275.A O no hydrogen 3.028 N/A LEU 34.A N TYR 55.A O no hydrogen 3.170 N/A ALA 35.A N GLY 277.A O no hydrogen 3.096 N/A GLY 37.A N GLY 59.A O no hydrogen 2.665 N/A LYS 40.A NZ GLY 37.A O no hydrogen 2.968 N/A THR 43.A N ASP 39.A OD1 no hydrogen 2.825 N/A THR 43.A OG1 ASP 39.A OD1 no hydrogen 3.419 N/A ALA 44.A N ASP 39.A OD2 no hydrogen 2.912 N/A SER 47.A N ALA 44.A O no hydrogen 2.857 N/A TRP 48.A NE1 ASP 39.A OD2 no hydrogen 2.896 N/A MET 51.A N SER 47.A O no hydrogen 3.102 N/A GLY 52.A N GLY 49.A O no hydrogen 2.757 N/A PHE 53.A N TRP 48.A O no hydrogen 3.393 N/A GLY 54.A N LEU 32.A O no hydrogen 2.870 N/A TYR 55.A OH LEU 275.A O no hydrogen 2.654 N/A ALA 56.A N PRO 103.A O no hydrogen 3.016 N/A GLU 57.A N LEU 34.A O no hydrogen 3.052 N/A ILE 58.A N GLY 105.A O no hydrogen 2.809 N/A GLY 59.A N ASP 39.A O no hydrogen 3.161 N/A THR 60.A OG1 ASN 107.A OD1 no hydrogen 2.645 N/A VAL 61.A N ASN 107.A O no hydrogen 2.881 N/A THR 62.A N ASN 85.A OD1 no hydrogen 3.131 N/A THR 62.A OG1 HIS 64.A O no hydrogen 2.557 N/A HIS 64.A N THR 111.A OG1 no hydrogen 3.339 N/A GLN 66.A N ASN 85.A O no hydrogen 2.783 N/A GLN 66.A NE2 PHE 83.A O no hydrogen 2.791 N/A PHE 69.A N LEU 78.A O no hydrogen 2.971 N/A LEU 71.A N ALA 76.A O no hydrogen 2.810 N/A ASP 74.A N LEU 71.A O no hydrogen 2.898 N/A ARG 75.A N ALA 72.A O no hydrogen 3.074 N/A ARG 75.A NE.B GLU 259.A OE1 no hydrogen 2.797 N/A ARG 75.A NE.B GLU 259.A OE2 no hydrogen 3.280 N/A ARG 75.A NH1.A GLU 259.A OE1 no hydrogen 2.670 N/A ARG 75.A NH2.A GLU 259.A OE2 no hydrogen 3.031 N/A ARG 75.A NH2.B GLU 259.A OE2 no hydrogen 2.946 N/A ALA 76.A N LEU 71.A O no hydrogen 3.244 N/A LEU 78.A N PHE 69.A O no hydrogen 2.913 N/A ASN 79.A N GLY 225.A O no hydrogen 2.857 N/A ASN 79.A ND2 MET 81.A O no hydrogen 3.324 N/A MET 81.A N ASN 79.A OD1 no hydrogen 3.027 N/A ASN 84.A N GLY 82.A O no hydrogen 3.016 N/A ASN 85.A N GLN 66.A O no hydrogen 2.852 N/A ASN 85.A ND2 THR 62.A OG1 no hydrogen 3.020 N/A ASN 85.A ND2 PHE 83.A O no hydrogen 2.945 N/A HIS 86.A N ASP 41.A OD1 no hydrogen 2.866 N/A HIS 86.A ND1 ASP 41.A OD2 no hydrogen 3.064 N/A GLY 87.A N ASN 85.A OD1 no hydrogen 2.742 N/A ALA 88.A N THR 62.A O no hydrogen 2.939 N/A LEU 91.A N GLY 87.A O no hydrogen 3.252 N/A ALA 92.A N ALA 88.A O no hydrogen 2.965 N/A ILE 93.A N ARG 89.A O no hydrogen 3.110 N/A ARG 94.A N ALA 90.A O no hydrogen 3.142 N/A LEU 95.A N LEU 91.A O no hydrogen 2.846 N/A ALA 96.A N ALA 92.A O no hydrogen 2.915 N/A ARG 97.A N ILE 93.A O no hydrogen 3.396 N/A ARG 97.A N ARG 94.A O no hydrogen 3.194 N/A HIS 98.A N LEU 95.A O no hydrogen 3.098 N/A GLU 101.A N GLU 101.A OE2 no hydrogen 2.675 N/A ILE 104.A N SER 135.A OG no hydrogen 3.288 N/A GLY 105.A N ALA 56.A O no hydrogen 2.732 N/A VAL 106.A N TYR 136.A O no hydrogen 2.942 N/A ASN 107.A N ILE 58.A O no hydrogen 2.800 N/A ASN 107.A ND2 GLU 57.A OE1 no hydrogen 2.950 N/A ILE 108.A N VAL 138.A O no hydrogen 2.871 N/A GLY 109.A N VAL 61.A O no hydrogen 3.048 N/A LYS 110.A N TYR 123.A OH no hydrogen 3.131 N/A LYS 110.A NZ THR 111.A O no hydrogen 2.911 N/A LYS 110.A NZ THR 114.A O no hydrogen 2.881 N/A THR 111.A N ASP 122.A OD1 no hydrogen 3.071 N/A THR 111.A OG1 ASP 122.A OD1 no hydrogen 3.246 N/A THR 111.A OG1 ASP 122.A OD2 no hydrogen 2.600 N/A LYS 112.A N GLN 66.A OE1 no hydrogen 2.692 N/A THR 114.A N THR 111.A O no hydrogen 3.103 N/A THR 114.A OG1 ASP 122.A OD2 no hydrogen 2.627 N/A ASP 118.A N PRO 115.A O no hydrogen 2.768 N/A ALA 119.A N ALA 116.A O no hydrogen 2.992 N/A TYR 123.A N ALA 119.A O no hydrogen 3.095 N/A TYR 123.A OH ASN 140.A O no hydrogen 2.693 N/A ARG 124.A N VAL 120.A O no hydrogen 2.997 N/A ARG 124.A NE ASN 121.A OD1 no hydrogen 3.056 N/A ARG 124.A NH2 ASN 121.A OD1 no hydrogen 3.005 N/A ALA 125.A N ASN 121.A O no hydrogen 3.090 N/A SER 126.A N ASP 122.A O no hydrogen 3.172 N/A SER 126.A OG ASP 122.A O no hydrogen 3.432 N/A ALA 127.A N TYR 123.A O no hydrogen 2.899 N/A ARG 128.A N ARG 124.A O no hydrogen 2.821 N/A ARG 128.A NH2 GLU 168.A OE2 no hydrogen 2.737 N/A MET 129.A N ALA 125.A O no hydrogen 2.987 N/A VAL 130.A N SER 126.A O no hydrogen 2.977 N/A GLY 131.A N ALA 127.A O no hydrogen 2.786 N/A LEU 133.A N VAL 130.A O no hydrogen 3.331 N/A ALA 134.A N VAL 130.A O no hydrogen 3.110 N/A SER 135.A N ILE 104.A O no hydrogen 2.875 N/A SER 135.A OG ILE 104.A O no hydrogen 3.561 N/A TYR 136.A OH GLU 57.A OE2 no hydrogen 2.638 N/A LEU 137.A N PRO 172.A O no hydrogen 2.878 N/A VAL 138.A N VAL 106.A O no hydrogen 2.907 N/A VAL 139.A N LEU 174.A O no hydrogen 2.925 N/A ASN 140.A N ILE 108.A O no hydrogen 2.809 N/A ASN 140.A ND2 THR 60.A OG1 no hydrogen 3.099 N/A ASN 140.A ND2 SER 143.A OG no hydrogen 2.825 N/A SER 142.A N ASN 140.A OD1 no hydrogen 2.912 N/A SER 142.A OG ASN 140.A OD1 no hydrogen 3.372 N/A SER 142.A OG LYS 176.A O no hydrogen 2.900 N/A SER 143.A N ASN 140.A OD1 no hydrogen 3.181 N/A ASN 145.A ND2 ASN 79.A O no hydrogen 2.870 N/A ASN 145.A ND2 MET 81.A O no hydrogen 2.855 N/A LEU 149.A N THR 146.A O no hydrogen 3.020 N/A ARG 150.A NE.A SER 142.A O no hydrogen 2.735 N/A ARG 150.A NH2.A SER 142.A O no hydrogen 2.739 N/A ARG 150.A NH2.A THR 206.A O no hydrogen 2.629 N/A ARG 150.A NH2.B ASP 180.A OD2 no hydrogen 2.936 N/A ASP 151.A N GLY 148.A O no hydrogen 3.246 N/A LEU 152.A N LEU 149.A O no hydrogen 2.911 N/A GLN 153.A N ARG 150.A O no hydrogen 3.113 N/A GLN 153.A NE2 ARG 150.A O no hydrogen 3.092 N/A ALA 154.A N ASP 151.A O no hydrogen 3.171 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.816 N/A SER 157.A N ALA 154.A O no hydrogen 2.870 N/A LEU 158.A N ALA 154.A O no hydrogen 2.829 N/A ARG 159.A N VAL 155.A O no hydrogen 3.015 N/A ARG 159.A NH1 GLU 195.A OE1 no hydrogen 2.802 N/A ARG 159.A NH2 GLU 195.A OE1 no hydrogen 2.816 N/A LEU 162.A N LEU 158.A O no hydrogen 2.871 N/A SER 163.A N ARG 159.A O no hydrogen 2.782 N/A ALA 164.A N PRO 160.A O no hydrogen 3.038 N/A VAL 165.A N ILE 161.A O no hydrogen 3.079 N/A ARG 166.A N LEU 162.A O no hydrogen 2.912 N/A ARG 166.A NE ASP 197.A O no hydrogen 2.928 N/A ARG 166.A NH1 ARG 166.A O no hydrogen 3.110 N/A ARG 166.A NH2 ASP 197.A OD2 no hydrogen 2.804 N/A ALA 167.A N SER 163.A O no hydrogen 2.975 N/A GLU 168.A N ALA 164.A O no hydrogen 3.132 N/A GLU 168.A N VAL 165.A O no hydrogen 3.202 N/A THR 169.A OG1 THR 171.A OG1 no hydrogen 3.167 N/A THR 171.A N THR 169.A OG1 no hydrogen 3.004 N/A THR 171.A OG1 GLY 131.A O no hydrogen 2.512 N/A THR 171.A OG1 THR 169.A OG1 no hydrogen 3.167 N/A LEU 174.A N LEU 137.A O no hydrogen 2.719 N/A VAL 175.A N GLY 200.A O no hydrogen 3.054 N/A LYS 176.A N VAL 139.A O no hydrogen 2.993 N/A ILE 177.A N VAL 202.A O no hydrogen 3.001 N/A ALA 178.A N GLN 153.A OE1 no hydrogen 2.875 N/A ASP 185.A N SER 182.A OG no hydrogen 2.859 N/A LEU 186.A N SER 182.A O no hydrogen 3.143 N/A ASP 187.A N ASP 183.A O no hydrogen 2.968 N/A ASP 188.A N SER 184.A O no hydrogen 2.956 N/A ILE 189.A N ASP 185.A O no hydrogen 2.868 N/A ALA 190.A N LEU 186.A O no hydrogen 3.061 N/A ASP 191.A N ASP 187.A O no hydrogen 3.038 N/A LEU 192.A N ASP 188.A O no hydrogen 2.826 N/A ALA 193.A N ILE 189.A O no hydrogen 2.793 N/A VAL 194.A N ALA 190.A O no hydrogen 3.065 N/A GLU 195.A N ASP 191.A O no hydrogen 2.866 N/A LEU 196.A N LEU 192.A O no hydrogen 2.758 N/A ASP 197.A N VAL 194.A O no hydrogen 2.919 N/A LEU 198.A N ALA 193.A O no hydrogen 2.930 N/A ALA 199.A N VAL 173.A O no hydrogen 2.816 N/A ILE 201.A N ALA 251.A O no hydrogen 3.050 N/A VAL 202.A N VAL 175.A O no hydrogen 2.753 N/A ALA 203.A N ILE 253.A O no hydrogen 2.986 N/A THR 204.A N VAL 255.A O no hydrogen 2.766 N/A ASN 205.A N ILE 177.A O no hydrogen 2.919 N/A ASN 205.A ND2 SER 142.A OG no hydrogen 2.814 N/A ASN 205.A ND2 SER 143.A OG no hydrogen 3.143 N/A THR 206.A N ASN 205.A OD1 no hydrogen 2.875 N/A THR 206.A OG1 ASN 205.A OD1 no hydrogen 3.429 N/A THR 207.A N ILE 226.A O no hydrogen 3.043 N/A SER 209.A N THR 207.A OG1 no hydrogen 2.951 N/A ARG 210.A NH1 VAL 208.A O no hydrogen 2.910 N/A ARG 210.A NH1 GLY 224.A O no hydrogen 2.648 N/A ASP 211.A N SER 209.A OG no hydrogen 3.164 N/A LEU 213.A N ARG 210.A O no hydrogen 3.379 N/A THR 214.A N ASP 74.A OD1 no hydrogen 2.601 N/A THR 214.A OG1 ASP 74.A OD1 no hydrogen 3.371 N/A THR 215.A N ASP 74.A OD2 no hydrogen 2.777 N/A THR 215.A OG1 ASP 74.A OD2 no hydrogen 2.388 N/A LEU 221.A N VAL 218.A O no hydrogen 3.179 N/A GLY 225.A N ASN 79.A O no hydrogen 3.040 N/A ILE 226.A N THR 207.A O no hydrogen 2.647 N/A SER 227.A N LEU 77.A O no hydrogen 3.045 N/A SER 227.A OG LEU 77.A O no hydrogen 3.430 N/A SER 227.A OG THR 279.A OG1 no hydrogen 2.731 N/A LEU 231.A N GLY 228.A O no hydrogen 2.904 N/A ALA 232.A N PRO 229.A O no hydrogen 2.915 N/A ALA 235.A N LEU 231.A O no hydrogen 2.910 N/A VAL 236.A N ALA 232.A O no hydrogen 2.980 N/A GLN 237.A N GLN 233.A O no hydrogen 2.969 N/A VAL 238.A N ARG 234.A O no hydrogen 2.827 N/A LEU 239.A N ALA 235.A O no hydrogen 3.020 N/A ARG 240.A N VAL 236.A O no hydrogen 3.007 N/A ARG 240.A NH2 GLU 266.A OE2 no hydrogen 3.496 N/A ARG 241.A N GLN 237.A O no hydrogen 3.070 N/A ARG 241.A NE ASP 187.A OD1 no hydrogen 2.606 N/A ARG 241.A NH2 ASP 187.A OD1 no hydrogen 3.311 N/A ARG 241.A NH2 ASP 187.A OD2 no hydrogen 2.816 N/A LEU 242.A N VAL 238.A O no hydrogen 3.012 N/A TYR 243.A N LEU 239.A O no hydrogen 2.826 N/A ASP 244.A N ARG 240.A O no hydrogen 2.949 N/A ARG 245.A N.A ARG 241.A O no hydrogen 3.009 N/A ARG 245.A N.B ARG 241.A O no hydrogen 3.036 N/A ARG 245.A NE.B ASP 191.A OD1 no hydrogen 2.773 N/A ARG 245.A NH1.A ASP 191.A OD1 no hydrogen 2.820 N/A ARG 245.A NH2.B ASP 191.A OD1 no hydrogen 3.568 N/A ARG 245.A NH2.B ASP 191.A OD2 no hydrogen 2.807 N/A VAL 246.A N LEU 242.A O no hydrogen 2.838 N/A GLY 247.A N TYR 243.A O no hydrogen 2.946 N/A ARG 249.A N VAL 246.A O no hydrogen 2.924 N/A LEU 250.A N VAL 246.A O no hydrogen 3.194 N/A ALA 251.A N ALA 199.A O no hydrogen 3.127 N/A ILE 253.A N ILE 201.A O no hydrogen 2.914 N/A SER 254.A N LEU 274.A O no hydrogen 2.959 N/A VAL 255.A N ALA 203.A O no hydrogen 2.947 N/A GLU 259.A N ASP 263.A OD2 no hydrogen 2.920 N/A THR 260.A N ASP 263.A OD2 no hydrogen 3.160 N/A ASP 263.A N THR 260.A OG1 no hydrogen 2.970 N/A ALA 264.A N THR 260.A O no hydrogen 3.070 N/A TRP 265.A N ALA 261.A O no hydrogen 2.829 N/A GLU 266.A N ASP 262.A O no hydrogen 3.046 N/A ARG 267.A N ASP 263.A O no hydrogen 3.184 N/A ARG 267.A NH1 SER 254.A OG no hydrogen 2.987 N/A ARG 267.A NH1 GLY 256.A O no hydrogen 3.068 N/A ARG 267.A NH2 GLY 256.A O no hydrogen 2.771 N/A ILE 268.A N ALA 264.A O no hydrogen 3.046 N/A THR 269.A N TRP 265.A O no hydrogen 2.993 N/A THR 269.A OG1 SER 314.A OG no hydrogen 3.352 N/A ALA 270.A N GLU 266.A O no hydrogen 2.966 N/A GLY 271.A N ILE 268.A O no hydrogen 2.831 N/A ALA 272.A N ARG 267.A O no hydrogen 2.957 N/A SER 273.A N LEU 252.A O no hydrogen 2.863 N/A LEU 274.A N LEU 252.A O no hydrogen 3.369 N/A LEU 275.A N PRO 31.A O no hydrogen 2.808 N/A GLN 276.A N SER 254.A O no hydrogen 2.962 N/A GLN 276.A NE2 TYR 55.A OH no hydrogen 3.499 N/A GLN 276.A NE2 GLU 57.A OE2 no hydrogen 2.837 N/A GLY 277.A N GLY 33.A O no hydrogen 3.227 N/A TYR 278.A OH GLY 37.A O no hydrogen 2.872 N/A THR 279.A OG1 SER 227.A OG no hydrogen 2.731 N/A ILE 282.A N TYR 278.A O no hydrogen 3.095 N/A TYR 283.A N THR 279.A O no hydrogen 2.885 N/A TYR 283.A OH ALA 76.A O no hydrogen 2.640 N/A GLY 284.A N PHE 281.A O no hydrogen 3.354 N/A GLY 285.A N PHE 281.A O no hydrogen 2.931 N/A TRP 288.A N GLY 285.A O no hydrogen 2.992 N/A TRP 288.A NE1 GLU 259.A O no hydrogen 2.951 N/A LYS 290.A NZ GLU 286.A OE2 no hydrogen 2.605 N/A ASP 291.A N ARG 287.A O no hydrogen 2.784 N/A ILE 292.A N TRP 288.A O no hydrogen 3.112 N/A HIS 293.A N ALA 289.A O no hydrogen 3.042 N/A GLU 294.A N LYS 290.A O no hydrogen 3.223 N/A GLY 295.A N ASP 291.A O no hydrogen 3.122 N/A ILE 296.A N ILE 292.A O no hydrogen 2.926 N/A ALA 297.A N HIS 293.A O no hydrogen 2.899 N/A ARG 298.A N GLU 294.A O no hydrogen 2.907 N/A ARG 299.A N GLY 295.A O no hydrogen 3.215 N/A ARG 299.A NH1.B GLY 295.A O no hydrogen 2.534 N/A ARG 299.A NH2.A ASP 262.A OD1 no hydrogen 2.060 N/A ARG 299.A NH2.B ASP 262.A OD1 no hydrogen 3.109 N/A LEU 300.A N ILE 296.A O no hydrogen 2.873 N/A HIS 301.A N ALA 297.A O no hydrogen 2.866 N/A HIS 301.A NE2 ASP 16.A OD2 no hydrogen 2.879 N/A ASP 302.A N ARG 298.A O no hydrogen 2.727 N/A GLY 303.A N ARG 299.A O no hydrogen 2.914 N/A PHE 305.A N LEU 300.A O no hydrogen 3.100 N/A GLY 306.A N GLU 310.A OE1 no hydrogen 3.206 N/A ALA 311.A N LEU 308.A O no hydrogen 2.753 N/A VAL 312.A N HIS 309.A O no hydrogen 2.893 N/A GLY 313.A N ILE 268.A O no hydrogen 2.810 N/A SER 314.A N ALA 311.A O no hydrogen 3.078 N/A SER 314.A OG THR 269.A OG1 no hydrogen 3.352 N/A SER 314.A OG ALA 311.A O no hydrogen 2.673 N/A ALA 315.A N THR 269.A O no hydrogen 2.910 N/A ARG 316.A N GLY 313.A O no hydrogen 2.911 N/A ARG 316.A NE ASP 244.A OD1 no hydrogen 2.672 N/A ARG 316.A NH2 ASP 244.A OD1 no hydrogen 3.436 N/A ARG 316.A NH2 ASP 244.A OD2 no hydrogen 2.913 N/A ARG 317.A NH1 VAL 312.A O no hydrogen 3.199 N/A ARG 317.A NH2 GLU 310.A O no hydrogen 2.970 N/A ARG 317.A NH2 VAL 312.A O no hydrogen 3.105 N/A