Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t6p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLY 1.A O no hydrogen 3.109 N/A HIS 6.A NE2 SER 29.A OG no hydrogen 3.144 N/A ALA 8.A N THR 5.A OG1 no hydrogen 3.182 N/A ARG 9.A N THR 5.A O no hydrogen 3.115 N/A ARG 9.A NE ALA 28.A O no hydrogen 2.979 N/A ARG 9.A NH1 MET 3.A O no hydrogen 2.969 N/A ARG 9.A NH1 GLN 4.A O no hydrogen 3.101 N/A ARG 9.A NH2 ALA 28.A O no hydrogen 2.914 N/A MET 10.A N HIS 6.A O no hydrogen 2.912 N/A ARG 11.A N ALA 7.A O no hydrogen 3.243 N/A THR 12.A OG1 ARG 9.A O no hydrogen 2.615 N/A PHE 13.A N MET 10.A O no hydrogen 2.998 N/A MET 14.A N ARG 11.A O no hydrogen 3.085 N/A TRP 16.A N PHE 13.A O no hydrogen 3.126 N/A TRP 16.A NE1 VAL 22.A O no hydrogen 3.230 N/A VAL 20.A N PRO 17.A O no hydrogen 3.241 N/A GLN 23.A N GLN 26.A OE1.A no hydrogen 2.885 N/A GLN 23.A NE2 PRO 21.A O no hydrogen 3.113 N/A GLU 25.A N GLU 25.A OE2 no hydrogen 2.820 N/A GLN 26.A NE2.B GLN 23.A O no hydrogen 3.317 N/A LEU 27.A N GLN 23.A O no hydrogen 3.298 N/A ALA 28.A N PRO 24.A O no hydrogen 2.855 N/A SER 29.A N GLU 25.A O no hydrogen 3.050 N/A SER 29.A OG HIS 6.A NE2 no hydrogen 3.144 N/A SER 29.A OG GLU 25.A O no hydrogen 3.006 N/A ALA 30.A N LEU 27.A O no hydrogen 2.987 N/A GLY 31.A N ALA 28.A O no hydrogen 3.050 N/A PHE 32.A N LEU 27.A O no hydrogen 3.095 N/A TYR 33.A N LYS 42.A O no hydrogen 2.834 N/A TYR 34.A N THR 12.A OG1 no hydrogen 2.931 N/A TYR 34.A OH ASN 38.A O no hydrogen 2.457 N/A VAL 35.A N ASP 40.A O no hydrogen 3.042 N/A ASP 40.A N ARG 37.A O no hydrogen 3.033 N/A VAL 41.A N LEU 50.A O no hydrogen 3.003 N/A LYS 42.A N TYR 33.A O no hydrogen 3.026 N/A LYS 42.A NZ ASP 47.A OD1 no hydrogen 3.360 N/A LYS 42.A NZ ASP 47.A OD2 no hydrogen 3.482 N/A LYS 42.A NZ GLN 307.A OE1 no hydrogen 3.298 N/A CYS 43.A N GLY 48.A O no hydrogen 2.963 N/A CYS 43.A SG GLY 31.A O no hydrogen 4.042 N/A PHE 44.A N GLY 31.A O no hydrogen 3.055 N/A CYS 46.A SG HIS 63.A NE2 no hydrogen 3.751 N/A ASP 47.A N CYS 43.A O no hydrogen 3.112 N/A GLY 49.A N THR 326.A O no hydrogen 3.100 N/A LEU 50.A N VAL 41.A O no hydrogen 3.082 N/A ARG 51.A N LYS 324.A O no hydrogen 2.829 N/A ARG 51.A NH1 LEU 313.A O no hydrogen 2.617 N/A ARG 51.A NH2 ALA 310.A O no hydrogen 3.178 N/A CYS 52.A N ASP 39.A OD2 no hydrogen 2.816 N/A TRP 53.A N ASP 39.A OD1 no hydrogen 2.821 N/A GLU 54.A N ASP 57.A OD2 no hydrogen 2.827 N/A SER 55.A OG ASP 143.A OD1 no hydrogen 2.659 N/A ASP 57.A N GLU 54.A O no hydrogen 3.038 N/A TRP 60.A N ASP 58.A OD1 no hydrogen 2.987 N/A GLU 62.A N ASP 58.A O no hydrogen 3.032 N/A HIS 63.A N PRO 59.A O no hydrogen 2.933 N/A HIS 63.A ND1 ALA 30.A O no hydrogen 2.851 N/A ALA 64.A N TRP 60.A O no hydrogen 3.159 N/A LYS 65.A N VAL 61.A O no hydrogen 3.000 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 2.777 N/A LYS 65.A NZ THR 134.A O no hydrogen 2.850 N/A LYS 65.A NZ GLU 136.A OE2 no hydrogen 3.173 N/A TRP 66.A N GLU 62.A O no hydrogen 3.235 N/A TRP 66.A NE1 THR 133.A O no hydrogen 2.962 N/A PHE 67.A N HIS 63.A O no hydrogen 2.871 N/A CYS 70.A N PHE 67.A O no hydrogen 3.080 N/A CYS 70.A SG HIS 63.A NE2 no hydrogen 3.616 N/A ILE 74.A N CYS 70.A O no hydrogen 3.115 N/A ARG 75.A N GLU 71.A O no hydrogen 2.997 N/A MET 76.A N PHE 72.A O no hydrogen 2.825 N/A LYS 77.A N LEU 73.A O no hydrogen 2.801 N/A GLY 78.A N ILE 74.A O no hydrogen 2.862 N/A GLN 79.A NE2 ASP 83.A OD1 no hydrogen 2.936 N/A VAL 82.A N GLY 78.A O no hydrogen 3.329 N/A ASP 83.A N GLN 79.A O no hydrogen 2.822 N/A GLU 84.A N GLU 80.A O no hydrogen 2.810 N/A ILE 85.A N PHE 81.A O no hydrogen 3.091 N/A GLN 86.A N VAL 82.A O no hydrogen 2.921 N/A GLN 86.A NE2 ALA 64.A O no hydrogen 2.847 N/A GLN 86.A NE2 LYS 65.A O no hydrogen 2.959 N/A GLY 87.A N ASP 83.A O no hydrogen 2.850 N/A ARG 88.A N GLU 84.A O no hydrogen 2.924 N/A ARG 88.A NH1 GLU 84.A OE2 no hydrogen 3.079 N/A ARG 88.A NH2 GLU 84.A OE2 no hydrogen 3.301 N/A TYR 89.A N ILE 85.A O no hydrogen 2.934 N/A HIS 91.A ND1 GLU 94.A OE2 no hydrogen 2.917 N/A GLN 95.A N HIS 91.A O no hydrogen 3.223 N/A LEU 97.A N LEU 93.A O no hydrogen 3.329 N/A LEU 97.A N GLU 94.A O no hydrogen 2.969 N/A SER 98.A N GLN 95.A O no hydrogen 3.099 N/A SER 98.A OG GLU 94.A O no hydrogen 3.443 N/A THR 99.A N GLN 95.A O no hydrogen 2.983 N/A MET 105.A N ALA 102.A O no hydrogen 2.858 N/A ASN 106.A N VAL 103.A O no hydrogen 2.991 N/A ASN 106.A ND2 ASP 101.A OD1 no hydrogen 2.846 N/A ASN 106.A ND2 ALA 102.A O no hydrogen 2.912 N/A VAL 110.A N THR 107.A OG1 no hydrogen 3.187 N/A LYS 111.A N THR 107.A O no hydrogen 2.925 N/A SER 112.A N PRO 108.A O no hydrogen 2.942 N/A SER 112.A OG PRO 108.A O no hydrogen 3.068 N/A ALA 113.A N VAL 109.A O no hydrogen 3.153 N/A LEU 114.A N VAL 110.A O no hydrogen 2.912 N/A GLU 115.A N LYS 111.A O no hydrogen 2.761 N/A MET 116.A N ALA 113.A O no hydrogen 3.073 N/A GLY 117.A N LEU 114.A O no hydrogen 2.927 N/A ARG 120.A NH2 GLU 100.A O no hydrogen 3.225 N/A ARG 120.A NH2 ASP 101.A OD1 no hydrogen 2.818 N/A LEU 122.A N ASN 119.A OD1 no hydrogen 2.866 N/A VAL 123.A N ASN 119.A O no hydrogen 3.026 N/A LYS 124.A N ARG 120.A O no hydrogen 2.966 N/A GLN 125.A N ASP 121.A O no hydrogen 2.970 N/A THR 126.A N LEU 122.A O no hydrogen 2.967 N/A THR 126.A OG1 LEU 122.A O no hydrogen 2.898 N/A VAL 127.A N VAL 123.A O no hydrogen 2.785 N/A GLN 128.A N LYS 124.A O no hydrogen 2.881 N/A SER 129.A N GLN 125.A O no hydrogen 2.980 N/A LYS 130.A N THR 126.A O no hydrogen 2.990 N/A ILE 131.A N VAL 127.A O no hydrogen 3.003 N/A LEU 132.A N GLN 128.A O no hydrogen 3.041 N/A THR 133.A N SER 129.A O no hydrogen 2.920 N/A THR 133.A OG1 SER 129.A O no hydrogen 2.928 N/A THR 133.A OG1 LYS 130.A O no hydrogen 3.455 N/A THR 134.A N LYS 130.A O no hydrogen 2.906 N/A THR 134.A OG1 LYS 130.A O no hydrogen 2.826 N/A GLY 135.A N ILE 131.A O no hydrogen 2.769 N/A GLU 136.A N THR 134.A OG1 no hydrogen 3.396 N/A ASN 137.A ND2 MET 104.A O no hydrogen 3.089 N/A TYR 138.A N ASN 137.A OD1 no hydrogen 2.696 N/A TYR 138.A OH GLU 54.A OE1 no hydrogen 2.826 N/A TYR 138.A OH GLU 54.A OE2 no hydrogen 3.303 N/A ASP 143.A N THR 140.A OG1 no hydrogen 3.026 N/A ILE 144.A N THR 140.A O no hydrogen 3.159 N/A VAL 145.A N VAL 141.A O no hydrogen 2.912 N/A SER 146.A N ASN 142.A O no hydrogen 3.076 N/A ALA 147.A N ASP 143.A O no hydrogen 2.909 N/A LEU 148.A N ILE 144.A O no hydrogen 2.812 N/A LEU 149.A N VAL 145.A O no hydrogen 3.020 N/A ASN 150.A N SER 146.A O no hydrogen 3.100 N/A ALA 151.A N ALA 147.A O no hydrogen 2.807 N/A GLU 152.A N LEU 148.A O no hydrogen 2.929 N/A ASP 153.A N LEU 149.A O no hydrogen 3.188 N/A GLU 154.A N ASN 150.A O no hydrogen 2.997 N/A LYS 155.A N ALA 151.A O no hydrogen 2.915 N/A ARG 156.A N GLU 152.A O no hydrogen 3.110 N/A ARG 156.A NH1 ASP 153.A OD1 no hydrogen 3.167 N/A ARG 156.A NH2 ASP 153.A OD1 no hydrogen 2.686 N/A GLU 157.A N ASP 153.A O no hydrogen 3.002 N/A GLU 158.A N GLU 154.A O no hydrogen 2.852 N/A GLU 159.A N LYS 155.A O no hydrogen 2.961 N/A LYS 160.A N ARG 156.A O no hydrogen 3.200 N/A LYS 160.A NZ GLU 157.A OE1 no hydrogen 3.002 N/A LYS 160.A NZ GLU 157.A OE2 no hydrogen 2.903 N/A GLU 161.A N GLU 157.A O no hydrogen 2.941 N/A LYS 162.A N GLU 158.A O no hydrogen 2.829 N/A GLN 163.A N GLU 159.A O no hydrogen 2.911 N/A ALA 164.A N GLU 161.A O no hydrogen 2.632 N/A GLU 165.A N GLU 161.A O no hydrogen 3.143 N/A SER 169.A N ASN 232.A OD1 no hydrogen 2.794 N/A SER 169.A OG ASN 232.A OD1 no hydrogen 3.282 N/A LEU 172.A N SER 169.A OG no hydrogen 3.016 N/A SER 173.A N SER 169.A O no hydrogen 3.030 N/A LEU 174.A N ASP 170.A O no hydrogen 2.903 N/A ILE 175.A N ASP 171.A O no hydrogen 3.119 N/A ARG 176.A N LEU 172.A O no hydrogen 2.952 N/A LYS 177.A N SER 173.A O no hydrogen 2.893 N/A ASN 178.A N LEU 174.A O no hydrogen 3.150 N/A ASN 178.A N ILE 175.A O no hydrogen 3.172 N/A ASN 178.A ND2 LEU 174.A O no hydrogen 2.847 N/A ARG 179.A N ARG 176.A O no hydrogen 3.326 N/A ARG 179.A NE ASP 225.A OD1 no hydrogen 2.785 N/A ARG 179.A NH2 ASP 225.A OD1 no hydrogen 3.490 N/A ARG 179.A NH2 ASP 225.A OD2 no hydrogen 2.848 N/A LEU 182.A N ASN 178.A O no hydrogen 2.968 N/A PHE 183.A N ARG 179.A O no hydrogen 2.943 N/A GLN 184.A N MET 180.A O no hydrogen 3.150 N/A GLN 184.A N ALA 181.A O no hydrogen 3.218 N/A GLN 184.A NE2 ILE 262.A O no hydrogen 2.623 N/A GLN 185.A N ALA 181.A O no hydrogen 2.959 N/A GLN 185.A N LEU 182.A O no hydrogen 3.248 N/A GLN 185.A NE2 GLN 184.A OE1 no hydrogen 3.218 N/A GLN 185.A NE2 LYS 260.A O no hydrogen 2.875 N/A LEU 186.A N LEU 182.A O no hydrogen 2.999 N/A LEU 193.A N VAL 189.A O no hydrogen 3.001 N/A ASP 194.A N LEU 190.A O no hydrogen 2.818 N/A ASN 195.A N PRO 191.A O no hydrogen 3.108 N/A ASN 195.A ND2 SER 241.A OG no hydrogen 2.918 N/A LEU 196.A N ILE 192.A O no hydrogen 2.953 N/A LEU 197.A N LEU 193.A O no hydrogen 3.146 N/A LYS 198.A N ASP 194.A O no hydrogen 2.972 N/A ALA 199.A N ASN 195.A O no hydrogen 3.092 N/A ASN 200.A N LEU 197.A O no hydrogen 2.837 N/A VAL 201.A N LEU 196.A O no hydrogen 3.013 N/A ILE 202.A N LEU 196.A O no hydrogen 3.417 N/A ASN 203.A N GLU 206.A OE1 no hydrogen 2.840 N/A LYS 204.A NZ ASP 208.A OD1 no hydrogen 2.547 N/A GLN 205.A NE2 MET 289.A O no hydrogen 3.017 N/A GLU 206.A N ASN 203.A OD1 no hydrogen 2.908 N/A HIS 207.A N ASN 203.A O no hydrogen 2.895 N/A HIS 207.A NE2 ASP 194.A OD1 no hydrogen 2.813 N/A ASP 208.A N LYS 204.A O no hydrogen 2.852 N/A ILE 209.A N GLN 205.A O no hydrogen 3.044 N/A ILE 210.A N GLU 206.A O no hydrogen 3.247 N/A LYS 211.A N HIS 207.A O no hydrogen 2.999 N/A GLN 212.A N ASP 208.A O no hydrogen 2.973 N/A LYS 213.A N ILE 210.A O no hydrogen 3.433 N/A LYS 213.A NZ GLU 282.A O no hydrogen 3.469 N/A LYS 213.A NZ THR 284.A OG1 no hydrogen 2.824 N/A THR 214.A N GLU 282.A OE1 no hydrogen 2.907 N/A THR 214.A OG1 GLU 282.A OE1 no hydrogen 3.429 N/A THR 214.A OG1 GLU 282.A OE2 no hydrogen 2.664 N/A GLN 219.A N GLN 215.A O no hydrogen 3.007 N/A GLN 219.A NE2 LYS 211.A O no hydrogen 2.885 N/A ALA 220.A N ILE 216.A O no hydrogen 2.837 N/A ARG 221.A N PRO 217.A O no hydrogen 3.150 N/A ARG 221.A NH1 ARG 278.A O no hydrogen 3.247 N/A ARG 221.A NH2 ARG 278.A O no hydrogen 2.848 N/A ARG 221.A NH2 GLU 281.A O no hydrogen 2.856 N/A GLU 222.A N LEU 218.A O no hydrogen 3.400 N/A LEU 223.A N GLN 219.A O no hydrogen 2.938 N/A ILE 224.A N ALA 220.A O no hydrogen 2.903 N/A ASP 225.A N ARG 221.A O no hydrogen 3.010 N/A THR 226.A N GLU 222.A O no hydrogen 2.970 N/A THR 226.A OG1 GLU 222.A O no hydrogen 2.760 N/A ILE 227.A N LEU 223.A O no hydrogen 2.944 N/A LEU 228.A N ILE 224.A O no hydrogen 2.987 N/A VAL 229.A N ASP 225.A O no hydrogen 2.902 N/A LYS 230.A N THR 226.A O no hydrogen 2.855 N/A LYS 230.A NZ GLU 206.A OE2 no hydrogen 2.838 N/A GLY 231.A N ILE 227.A O no hydrogen 2.963 N/A ASN 232.A ND2 GLU 166.A OE2 no hydrogen 2.918 N/A ASN 232.A ND2 MET 167.A O no hydrogen 2.784 N/A ALA 235.A N GLY 231.A O no hydrogen 3.011 N/A ASN 236.A N ASN 232.A O no hydrogen 2.997 N/A ILE 237.A N ALA 233.A O no hydrogen 3.166 N/A PHE 238.A N ALA 234.A O no hydrogen 2.914 N/A LYS 239.A N ALA 235.A O no hydrogen 2.942 N/A LYS 239.A NZ ASP 171.A OD2 no hydrogen 2.938 N/A ASN 240.A N ASN 236.A O no hydrogen 3.014 N/A SER 241.A N ILE 237.A O no hydrogen 2.933 N/A SER 241.A OG ILE 237.A O no hydrogen 2.810 N/A LEU 242.A N PHE 238.A O no hydrogen 2.918 N/A LYS 243.A N LYS 239.A O no hydrogen 3.283 N/A GLU 244.A N SER 241.A O no hydrogen 3.131 N/A ILE 245.A N SER 241.A O no hydrogen 3.199 N/A ILE 245.A N LEU 242.A O no hydrogen 2.936 N/A ASP 246.A N LEU 242.A O no hydrogen 2.830 N/A LEU 249.A N ASP 246.A OD1 no hydrogen 3.002 N/A TYR 250.A N ASP 246.A O no hydrogen 3.074 N/A LYS 251.A N SER 247.A O no hydrogen 2.989 N/A ASN 252.A N THR 248.A O no hydrogen 3.007 N/A LEU 253.A N LEU 249.A O no hydrogen 2.971 N/A PHE 254.A N TYR 250.A O no hydrogen 2.817 N/A VAL 255.A N LYS 251.A O no hydrogen 2.979 N/A ASP 256.A N LYS 251.A O no hydrogen 2.797 N/A ASN 258.A N ASN 252.A O no hydrogen 2.819 N/A GLY 269.A N ASP 266.A O no hydrogen 3.273 N/A LEU 270.A N VAL 267.A O no hydrogen 2.806 N/A SER 271.A OG GLU 273.A OE1 no hydrogen 3.390 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.760 N/A GLU 274.A N SER 271.A OG no hydrogen 3.137 N/A GLN 275.A N SER 271.A O no hydrogen 3.011 N/A GLN 275.A NE2 LEU 270.A O no hydrogen 2.853 N/A LEU 276.A N LEU 272.A O no hydrogen 2.961 N/A ARG 277.A N GLU 273.A O no hydrogen 2.871 N/A ARG 278.A N GLU 274.A O no hydrogen 3.093 N/A ARG 278.A NE GLU 274.A OE2 no hydrogen 2.874 N/A ARG 278.A NH1 GLU 265.A OE1 no hydrogen 3.454 N/A LEU 279.A N GLN 275.A O no hydrogen 3.055 N/A GLN 280.A N LEU 276.A O no hydrogen 2.909 N/A GLN 280.A N ARG 277.A O no hydrogen 3.327 N/A GLN 280.A NE2 GLU 292.A OE2 no hydrogen 3.178 N/A GLN 280.A NE2 VAL 293.A O no hydrogen 2.854 N/A ARG 283.A N GLN 280.A O no hydrogen 2.956 N/A ARG 283.A NE GLU 222.A OE2 no hydrogen 2.735 N/A ARG 283.A NH1 ASP 225.A OD2 no hydrogen 2.932 N/A ARG 283.A NH2 GLU 222.A OE2 no hydrogen 2.915 N/A ARG 283.A NH2 ASP 225.A OD2 no hydrogen 2.785 N/A THR 284.A N GLU 222.A OE1 no hydrogen 2.800 N/A CYS 285.A N LYS 291.A O no hydrogen 2.775 N/A LYS 286.A N VAL 304.A O no hydrogen 2.859 N/A LYS 286.A NZ GLU 222.A OE1 no hydrogen 3.374 N/A LYS 286.A NZ GLU 222.A OE2 no hydrogen 2.805 N/A LYS 286.A NZ THR 284.A O no hydrogen 2.878 N/A MET 289.A N CYS 285.A O no hydrogen 2.811 N/A LYS 291.A NZ GLU 308.A OE1 no hydrogen 2.914 N/A VAL 293.A N ARG 283.A O no hydrogen 2.928 N/A SER 294.A N VAL 305.A O no hydrogen 2.934 N/A VAL 296.A N VAL 327.A O no hydrogen 2.764 N/A PHE 297.A N HIS 302.A O no hydrogen 3.175 N/A ILE 298.A N GLY 325.A O no hydrogen 2.858 N/A CYS 300.A SG HIS 302.A ND1 no hydrogen 3.563 N/A GLY 301.A N PHE 297.A O no hydrogen 2.886 N/A ALA 310.A N CYS 306.A O no hydrogen 3.275 N/A SER 312.A N CYS 309.A O no hydrogen 3.259 N/A SER 312.A OG CYS 309.A O no hydrogen 2.773 N/A LEU 313.A N ALA 310.A O no hydrogen 3.036 N/A CYS 316.A N GLY 321.A O no hydrogen 2.888 N/A CYS 316.A SG HIS 302.A ND1 no hydrogen 3.607 N/A CYS 319.A SG HIS 302.A ND1 no hydrogen 3.713 N/A ARG 320.A N CYS 316.A O no hydrogen 2.797 N/A ILE 323.A N ARG 314.A O no hydrogen 3.095 N/A LYS 324.A N ILE 298.A O no hydrogen 2.651 N/A LYS 324.A NZ SER 129.A OG no hydrogen 3.071 N/A THR 326.A N GLY 49.A O no hydrogen 2.854 N/A VAL 327.A N VAL 296.A O no hydrogen 3.165 N/A