Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xsu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLU 45.A OE1 no hydrogen 2.836 N/A ASN 5.A N GLN 8.A OE1 no hydrogen 2.711 N/A ARG 6.A NE ASP 10.A OD1 no hydrogen 2.878 N/A ARG 6.A NH1 ASP 39.A OD1 no hydrogen 3.084 N/A ARG 6.A NH2 ASP 39.A OD1 no hydrogen 2.858 N/A GLN 8.A N ASN 5.A OD1 no hydrogen 2.817 N/A ILE 9.A N ASN 5.A O no hydrogen 2.908 N/A ASP 10.A N ARG 6.A O no hydrogen 2.826 N/A ALA 11.A N GLN 7.A O no hydrogen 3.007 N/A LEU 12.A N GLN 8.A O no hydrogen 3.029 N/A VAL 13.A N ILE 9.A O no hydrogen 2.893 N/A LYS 14.A N ASP 10.A O no hydrogen 2.992 N/A LYS 14.A NZ ASP 19.A OD1 no hydrogen 2.906 N/A GLN 15.A N ALA 11.A O no hydrogen 2.911 N/A MET 16.A N LEU 12.A O no hydrogen 3.023 N/A ASN 17.A N VAL 13.A O no hydrogen 2.895 N/A ASN 17.A ND2 VAL 13.A O no hydrogen 3.474 N/A VAL 18.A N LYS 14.A O no hydrogen 2.936 N/A ASP 19.A N LYS 14.A O no hydrogen 2.915 N/A THR 20.A OG1 MET 16.A O no hydrogen 2.789 N/A ALA 21.A N VAL 18.A O no hydrogen 2.981 N/A ARG 28.A NH1 GLN 31.A OE1 no hydrogen 2.897 N/A ILE 29.A N ASP 26.A OD1 no hydrogen 2.993 N/A GLN 30.A N ASP 26.A O no hydrogen 2.966 N/A GLN 31.A N GLU 27.A O no hydrogen 2.940 N/A VAL 32.A N ARG 28.A O no hydrogen 2.968 N/A VAL 33.A N ILE 29.A O no hydrogen 2.938 N/A VAL 34.A N GLN 30.A O no hydrogen 3.002 N/A ARG 35.A N GLN 31.A O no hydrogen 3.138 N/A ARG 35.A NE ASP 39.A OD2 no hydrogen 2.810 N/A LEU 36.A N VAL 32.A O no hydrogen 2.892 N/A LEU 37.A N VAL 33.A O no hydrogen 2.871 N/A GLY 38.A N VAL 34.A O no hydrogen 3.078 N/A ASP 39.A N ARG 35.A O no hydrogen 2.964 N/A LEU 40.A N LEU 36.A O no hydrogen 2.889 N/A PHE 41.A N LEU 37.A O no hydrogen 2.903 N/A GLN 42.A N GLY 38.A O no hydrogen 3.001 N/A ALA 43.A N ASP 39.A O no hydrogen 2.933 N/A ILE 44.A N LEU 40.A O no hydrogen 2.928 N/A GLU 45.A N PHE 41.A O no hydrogen 3.023 N/A ASP 46.A N GLN 42.A O no hydrogen 2.837 N/A LEU 47.A N ALA 43.A O no hydrogen 2.971 N/A ASP 48.A N GLU 45.A O no hydrogen 3.219 N/A ILE 49.A N ILE 44.A O no hydrogen 2.954 N/A GLN 50.A N GLU 53.A OE1 no hydrogen 2.897 N/A VAL 54.A N GLN 50.A O no hydrogen 3.043 N/A TRP 55.A N PRO 51.A O no hydrogen 2.961 N/A LYS 56.A N SER 52.A O no hydrogen 3.022 N/A GLY 57.A N GLU 53.A O no hydrogen 2.970 N/A LEU 58.A N VAL 54.A O no hydrogen 2.961 N/A GLU 59.A N TRP 55.A O no hydrogen 2.859 N/A TYR 60.A N LYS 56.A O no hydrogen 2.916 N/A TYR 60.A OH THR 205.A O no hydrogen 2.780 N/A LEU 61.A N GLY 57.A O no hydrogen 2.964 N/A THR 62.A N LEU 58.A O no hydrogen 2.872 N/A THR 62.A OG1 LEU 58.A O no hydrogen 2.956 N/A ASP 63.A N GLU 59.A O no hydrogen 2.916 N/A ALA 64.A N TYR 60.A O no hydrogen 2.822 N/A GLY 65.A N LEU 61.A O no hydrogen 2.990 N/A GLN 66.A N THR 62.A O no hydrogen 2.919 N/A ALA 67.A N ASP 63.A O no hydrogen 2.976 N/A ASN 68.A N GLY 65.A O no hydrogen 3.070 N/A GLU 69.A N ALA 64.A O no hydrogen 2.901 N/A LEU 73.A N GLU 69.A O no hydrogen 2.877 N/A ALA 74.A N LEU 70.A O no hydrogen 2.937 N/A GLY 75.A N GLY 71.A O no hydrogen 3.139 N/A GLY 76.A N LEU 72.A O no hydrogen 2.903 N/A LEU 77.A N LEU 73.A O no hydrogen 2.921 N/A GLY 78.A N GLY 75.A O no hydrogen 3.065 N/A GLU 80.A N ALA 74.A O no hydrogen 2.993 N/A TYR 82.A N GLY 78.A O no hydrogen 2.929 N/A LEU 83.A N LEU 79.A O no hydrogen 3.098 N/A ASP 84.A N GLU 80.A O no hydrogen 3.456 N/A LEU 85.A N HIS 81.A O no hydrogen 2.943 N/A ARG 86.A N TYR 82.A O no hydrogen 2.948 N/A ALA 87.A N LEU 83.A O no hydrogen 2.989 N/A ASP 88.A N ASP 84.A O no hydrogen 2.822 N/A GLU 89.A N LEU 85.A O no hydrogen 3.074 N/A ALA 90.A N ARG 86.A O no hydrogen 2.903 N/A ASP 91.A N ALA 87.A O no hydrogen 2.952 N/A ALA 92.A N ASP 88.A O no hydrogen 2.930 N/A LYS 93.A N GLU 89.A O no hydrogen 3.000 N/A ALA 94.A N ALA 90.A O no hydrogen 3.101 N/A ALA 94.A N ASP 91.A O no hydrogen 3.024 N/A GLY 95.A N ALA 92.A O no hydrogen 2.967 N/A ILE 96.A N ASP 91.A O no hydrogen 3.022 N/A GLY 99.A N GLU 289.A OE2 no hydrogen 2.862 N/A THR 100.A N GLU 289.A O no hydrogen 2.911 N/A ARG 102.A NH1 ASP 88.A OD1 no hydrogen 2.838 N/A ARG 102.A NH1 ASP 91.A OD2 no hydrogen 2.935 N/A ARG 102.A NH2 ASP 91.A OD2 no hydrogen 3.280 N/A THR 103.A N THR 236.A O no hydrogen 3.091 N/A THR 103.A OG1 ALA 254.A O no hydrogen 2.729 N/A ILE 104.A N THR 103.A OG1 no hydrogen 2.841 N/A GLY 106.A N GLU 80.A OE2 no hydrogen 2.900 N/A TYR 109.A OH GLU 154.A OE1 no hydrogen 2.589 N/A ALA 111.A N ALA 307.A O no hydrogen 2.888 N/A SER 116.A N THR 179.A O no hydrogen 3.041 N/A SER 116.A OG PHE 119.A O no hydrogen 2.780 N/A GLY 118.A N LEU 181.A O no hydrogen 2.759 N/A ALA 120.A N VAL 189.A O no hydrogen 3.012 N/A ARG 121.A NE ASP 123.A OD1 no hydrogen 2.983 N/A ARG 121.A NH2 ASP 123.A OD2 no hydrogen 2.870 N/A MET 122.A N LEU 191.A O no hydrogen 2.788 N/A GLY 125.A N ASP 123.A OD2 no hydrogen 3.030 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.916 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.670 N/A SER 126.A OG ASP 124.A OD2 no hydrogen 3.568 N/A SER 128.A N GLY 125.A O no hydrogen 3.151 N/A SER 128.A OG.A GLY 125.A O no hydrogen 3.176 N/A SER 128.A OG.B GLY 125.A O no hydrogen 3.111 N/A LYS 130.A N GLU 127.A O no hydrogen 2.920 N/A LEU 134.A N THR 192.A O no hydrogen 2.930 N/A ILE 135.A N LYS 282.A O no hydrogen 2.901 N/A ILE 136.A N ALA 190.A O no hydrogen 2.855 N/A GLU 137.A N ILE 284.A O no hydrogen 2.943 N/A GLY 138.A N TYR 188.A O no hydrogen 3.198 N/A THR 139.A N ASN 287.A OD1 no hydrogen 2.932 N/A VAL 140.A N GLY 186.A O no hydrogen 2.836 N/A THR 141.A N VAL 288.A O no hydrogen 2.908 N/A THR 141.A OG1 ASP 142.A O no hydrogen 3.116 N/A ASP 142.A N ASN 146.A O no hydrogen 2.907 N/A GLU 144.A N ASP 142.A OD1 no hydrogen 2.972 N/A GLY 145.A N ASP 142.A O no hydrogen 3.113 N/A ASN 146.A N ASP 142.A OD1 no hydrogen 2.882 N/A ILE 148.A N VAL 140.A O no hydrogen 2.935 N/A GLY 150.A N THR 182.A O no hydrogen 2.968 N/A ALA 151.A N THR 182.A OG1 no hydrogen 2.952 N/A LYS 152.A N SER 228.A O no hydrogen 2.809 N/A VAL 153.A N ILE 180.A O no hydrogen 2.850 N/A GLU 154.A N PHE 226.A O no hydrogen 2.795 N/A VAL 155.A N ARG 178.A O no hydrogen 2.909 N/A TRP 156.A N HIS 224.A O no hydrogen 3.285 N/A HIS 157.A N LEU 176.A O no hydrogen 3.229 N/A HIS 157.A ND1 ALA 158.A O no hydrogen 2.813 N/A HIS 157.A NE2 THR 192.A OG1 no hydrogen 2.749 N/A ASN 159.A N ASN 163.A O no hydrogen 2.809 N/A SER 160.A N GLU 127.A OE1 no hydrogen 2.929 N/A SER 160.A OG GLU 127.A OE2 no hydrogen 2.783 N/A LEU 161.A N ASN 159.A OD1 no hydrogen 2.936 N/A GLY 162.A N ASN 159.A O no hydrogen 3.011 N/A ASN 163.A N ASN 159.A OD1 no hydrogen 2.974 N/A TYR 164.A OH TYR 198.A OH no hydrogen 3.173 N/A TYR 164.A OH HIS 224.A NE2 no hydrogen 3.148 N/A SER 165.A OG ASN 175.A O no hydrogen 2.718 N/A ASP 168.A N TYR 164.A O no hydrogen 2.886 N/A SER 170.A N ASP 168.A OD2 no hydrogen 3.283 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 3.491 N/A SER 170.A OG ASP 168.A OD2 no hydrogen 2.660 N/A GLN 171.A N ASP 168.A O no hydrogen 3.162 N/A GLN 171.A NE2 ASN 163.A O no hydrogen 3.098 N/A GLN 171.A NE2 ASP 168.A OD1 no hydrogen 3.016 N/A SER 172.A OG ASP 124.A OD2 no hydrogen 2.991 N/A ASN 175.A N SER 172.A O no hydrogen 3.106 N/A ASN 175.A ND2 GLN 171.A OE1 no hydrogen 3.000 N/A LEU 176.A N MET 122.A O no hydrogen 2.842 N/A ARG 177.A N PHE 174.A O no hydrogen 3.055 N/A ARG 177.A NE SER 165.A O no hydrogen 3.346 N/A ARG 177.A NE SER 165.A OG no hydrogen 2.906 N/A ARG 177.A NH1 LEU 108.A O no hydrogen 2.791 N/A ARG 177.A NH2 LEU 108.A O no hydrogen 2.945 N/A ARG 177.A NH2 SER 165.A O no hydrogen 2.835 N/A ARG 178.A N VAL 155.A O no hydrogen 3.043 N/A ARG 178.A NE ARG 121.A O no hydrogen 2.972 N/A ARG 178.A NH1 PHE 174.A O no hydrogen 2.848 N/A ARG 178.A NH1 ARG 177.A O no hydrogen 2.823 N/A ARG 178.A NH2 ARG 121.A O no hydrogen 3.150 N/A THR 179.A N PRO 114.A O no hydrogen 2.968 N/A ILE 180.A N VAL 153.A O no hydrogen 2.812 N/A LEU 181.A N SER 116.A O no hydrogen 2.813 N/A THR 182.A N ALA 151.A O no hydrogen 2.853 N/A THR 182.A OG1 ILE 148.A O no hydrogen 2.734 N/A ASP 183.A N LYS 187.A O no hydrogen 3.013 N/A ASN 185.A N ASP 183.A OD1 no hydrogen 2.772 N/A GLY 186.A N ASP 183.A O no hydrogen 2.899 N/A LYS 187.A N ASP 183.A OD1 no hydrogen 3.016 N/A LYS 187.A NZ GLU 137.A OE2 no hydrogen 3.398 N/A TYR 188.A N GLY 138.A O no hydrogen 2.999 N/A TYR 188.A OH TYR 225.A OH no hydrogen 2.800 N/A TYR 188.A OH PHE 286.A O no hydrogen 2.714 N/A VAL 189.A N GLY 118.A O no hydrogen 2.928 N/A ALA 190.A N ILE 136.A O no hydrogen 2.791 N/A LEU 191.A N ALA 120.A O no hydrogen 2.959 N/A THR 192.A N LEU 134.A O no hydrogen 2.740 N/A THR 192.A OG1 HIS 157.A NE2 no hydrogen 2.749 N/A MET 194.A N ASP 132.A O no hydrogen 2.986 N/A TYR 198.A N ARG 219.A O no hydrogen 3.267 N/A TYR 198.A OH TYR 164.A OH no hydrogen 3.173 N/A TYR 198.A OH HIS 222.A NE2 no hydrogen 3.191 N/A CYS 200.A N GLY 217.A O no hydrogen 3.092 N/A CYS 200.A SG GLY 217.A O no hydrogen 3.605 N/A GLY 204.A N PRO 201.A O no hydrogen 2.918 N/A THR 205.A N GLU 69.A OE2 no hydrogen 3.198 N/A THR 206.A N GLU 69.A OE1 no hydrogen 2.904 N/A THR 206.A OG1 GLU 69.A OE1 no hydrogen 2.772 N/A GLN 207.A NE2 ASN 211.A OD1 no hydrogen 3.019 N/A GLN 207.A NE2 ARG 215.A O no hydrogen 3.455 N/A ALA 208.A N GLY 204.A O no hydrogen 3.127 N/A LEU 209.A N THR 205.A O no hydrogen 3.178 N/A LEU 210.A N THR 206.A O no hydrogen 2.889 N/A ASN 211.A N GLN 207.A O no hydrogen 2.786 N/A LYS 212.A N ALA 208.A O no hydrogen 3.397 N/A LEU 213.A N LEU 209.A O no hydrogen 3.109 N/A LEU 213.A N LEU 210.A O no hydrogen 2.974 N/A GLY 214.A N ASN 211.A O no hydrogen 3.064 N/A ARG 215.A N LEU 210.A O no hydrogen 2.904 N/A ARG 215.A NH1 GLY 76.A O no hydrogen 2.811 N/A ARG 215.A NH2 GLY 76.A O no hydrogen 2.977 N/A ARG 215.A NH2 PHE 251.A O no hydrogen 2.992 N/A HIS 216.A NE2 ASP 249.A OD2 no hydrogen 3.091 N/A ASN 218.A N HIS 216.A ND1 no hydrogen 2.947 N/A ARG 219.A N TYR 198.A O no hydrogen 2.902 N/A ARG 219.A NE ASP 250.A OD1 no hydrogen 2.981 N/A ARG 219.A NE ASP 250.A OD2 no hydrogen 3.491 N/A ARG 219.A NH2 ASP 250.A OD2 no hydrogen 3.020 N/A SER 221.A N ASP 244.A OD2 no hydrogen 2.848 N/A SER 221.A OG ASP 244.A OD2 no hydrogen 3.194 N/A HIS 222.A ND1 PRO 220.A O no hydrogen 2.763 N/A HIS 222.A NE2 HIS 224.A NE2 no hydrogen 3.051 N/A VAL 223.A N PHE 239.A O no hydrogen 3.050 N/A HIS 224.A N TRP 156.A O no hydrogen 2.965 N/A TYR 225.A N THR 237.A O no hydrogen 2.907 N/A TYR 225.A OH TYR 188.A OH no hydrogen 2.800 N/A PHE 226.A N GLU 154.A O no hydrogen 2.943 N/A VAL 227.A N LEU 235.A O no hydrogen 2.910 N/A SER 228.A N LYS 152.A O no hydrogen 3.123 N/A TYR 232.A N ALA 229.A O no hydrogen 3.003 N/A ARG 233.A N VAL 291.A O no hydrogen 2.944 N/A ARG 233.A NH1 ASP 91.A OD2 no hydrogen 3.119 N/A ARG 233.A NH2 ASP 91.A OD1 no hydrogen 2.980 N/A ARG 233.A NH2 PRO 298.A O no hydrogen 2.792 N/A LEU 235.A N VAL 227.A O no hydrogen 2.891 N/A THR 237.A N TYR 225.A O no hydrogen 2.924 N/A THR 237.A OG1 PRO 101.A O no hydrogen 2.789 N/A THR 237.A OG1 GLN 238.A O no hydrogen 3.510 N/A GLN 238.A N THR 237.A OG1 no hydrogen 2.804 N/A PHE 239.A N VAL 223.A O no hydrogen 3.107 N/A ASN 240.A N LEU 259.A O no hydrogen 2.838 N/A GLU 242.A N ALA 261.A O no hydrogen 2.830 N/A TYR 246.A N ASP 244.A OD1 no hydrogen 2.847 N/A LEU 247.A N ASP 244.A O no hydrogen 3.098 N/A ASP 249.A N TYR 246.A O no hydrogen 3.069 N/A PHE 251.A N ASN 218.A O no hydrogen 2.974 N/A ALA 252.A N ASP 250.A OD1 no hydrogen 3.097 N/A PHE 253.A N ASP 250.A O no hydrogen 3.049 N/A ALA 254.A N ASP 250.A OD2 no hydrogen 2.948 N/A THR 255.A OG1 LEU 247.A O no hydrogen 2.694 N/A ARG 256.A NH1 ASP 88.A OD2 no hydrogen 2.833 N/A ARG 256.A NH1 ARG 102.A O no hydrogen 2.830 N/A ARG 256.A NH2 ASP 88.A OD2 no hydrogen 3.098 N/A LEU 259.A N ARG 256.A O no hydrogen 2.990 N/A ALA 261.A N ASN 240.A O no hydrogen 2.794 N/A THR 264.A N HIS 283.A O no hydrogen 2.899 N/A THR 264.A OG1 HIS 283.A O no hydrogen 3.146 N/A VAL 266.A N PHE 281.A O no hydrogen 2.818 N/A GLU 271.A N ASP 268.A OD2 no hydrogen 2.927 N/A ILE 272.A N ASP 268.A O no hydrogen 2.946 N/A ALA 273.A N GLU 269.A O no hydrogen 3.002 N/A ARG 274.A N ALA 270.A O no hydrogen 3.047 N/A ARG 274.A NE GLU 271.A OE1 no hydrogen 2.665 N/A ARG 274.A NH2 GLU 271.A OE1 no hydrogen 2.992 N/A ARG 275.A N GLU 271.A O no hydrogen 3.188 N/A ARG 275.A NH2 GLU 137.A OE1 no hydrogen 2.714 N/A GLU 276.A N ALA 273.A O no hydrogen 2.923 N/A LEU 277.A N ILE 272.A O no hydrogen 3.052 N/A LYS 279.A NZ SER 128.A O no hydrogen 3.504 N/A PHE 281.A N VAL 266.A O no hydrogen 3.117 N/A LYS 282.A N THR 133.A O no hydrogen 2.916 N/A LYS 282.A NZ ASP 132.A OD2 no hydrogen 2.962 N/A LYS 282.A NZ ASP 265.A OD1 no hydrogen 2.907 N/A HIS 283.A N THR 264.A O no hydrogen 2.803 N/A HIS 283.A NE2 GLU 137.A OE1 no hydrogen 2.740 N/A ILE 284.A N ILE 135.A O no hydrogen 2.845 N/A PHE 286.A N GLU 137.A O no hydrogen 2.863 N/A VAL 288.A N THR 139.A O no hydrogen 3.021 N/A GLU 289.A N THR 100.A OG1 no hydrogen 2.869 N/A LEU 290.A N THR 141.A O no hydrogen 2.857 N/A GLU 293.A N GLY 231.A O no hydrogen 2.856 N/A ALA 297.A N ALA 294.A O no hydrogen 3.075 N/A SER 300.A OG LYS 234.A O no hydrogen 2.624 N/A GLU 301.A N SER 299.A OG no hydrogen 3.315 N/A ARG 304.A NH1 GLU 80.A OE2 no hydrogen 3.308 N/A ARG 306.A NE GLU 105.A OE2 no hydrogen 2.855 N/A ARG 306.A NH1 VAL 302.A O no hydrogen 3.138 N/A ARG 306.A NH2 GLU 105.A OE1 no hydrogen 2.851 N/A ARG 306.A NH2 VAL 302.A O no hydrogen 2.919 N/A ALA 309.A N ALA 111.A O no hydrogen 3.094 N/A