Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N VAL 20.A O no hydrogen 2.751 N/A LYS 4.A N GLU 124.A OE2 no hydrogen 2.849 N/A LYS 4.A NZ GLU 19.A OE2 no hydrogen 2.695 N/A ALA 5.A N ASP 18.A O no hydrogen 3.023 N/A ALA 6.A N TYR 122.A O no hydrogen 2.814 N/A VAL 7.A N THR 16.A O no hydrogen 3.007 N/A VAL 8.A N PHE 59.A O no hydrogen 2.902 N/A ARG 9.A NE ASP 18.A OD1 no hydrogen 2.777 N/A ARG 9.A NH1 ASP 18.A OD1 no hydrogen 2.823 N/A GLY 12.A N ALA 47.A O no hydrogen 2.705 N/A ALA 13.A N ALA 10.A O no hydrogen 2.956 N/A LEU 15.A N ASN 319.A OD1 no hydrogen 2.809 N/A THR 16.A N VAL 7.A O no hydrogen 3.344 N/A THR 16.A OG1 ASP 18.A OD1 no hydrogen 2.935 N/A THR 16.A OG1 ASP 18.A OD2 no hydrogen 2.798 N/A ASP 18.A N ALA 5.A O no hydrogen 2.938 N/A VAL 20.A N MET 3.A O no hydrogen 2.800 N/A VAL 22.A N ALA 1.A O no hydrogen 2.618 N/A GLY 26.A N GLN 29.A OE1 no hydrogen 2.931 N/A GLY 28.A N SER 74.A O no hydrogen 3.001 N/A GLN 29.A N GLY 26.A O no hydrogen 3.109 N/A VAL 30.A N ALA 128.A O no hydrogen 3.078 N/A GLN 31.A N ALA 71.A O no hydrogen 2.760 N/A GLN 31.A NE2 PRO 23.A O no hydrogen 2.946 N/A VAL 32.A N VAL 126.A O no hydrogen 2.786 N/A LYS 33.A N TYR 68.A O no hydrogen 2.806 N/A ILE 34.A N GLU 124.A O no hydrogen 2.819 N/A GLU 35.A N VAL 66.A O no hydrogen 2.793 N/A ALA 36.A N VAL 66.A O no hydrogen 3.176 N/A SER 37.A N LEU 336.A O no hydrogen 2.901 N/A SER 37.A OG GLY 121.A O no hydrogen 2.734 N/A GLY 38.A N GLU 64.A O no hydrogen 3.135 N/A VAL 39.A N VAL 334.A O no hydrogen 2.816 N/A CYS 40.A N ASP 43.A OD2 no hydrogen 3.064 N/A CYS 40.A SG HIS 63.A NE2 no hydrogen 3.527 N/A ASP 43.A N CYS 40.A O no hydrogen 2.811 N/A LEU 44.A N HIS 41.A O no hydrogen 3.026 N/A HIS 45.A N HIS 41.A O no hydrogen 3.277 N/A HIS 45.A ND1 ASP 50.A OD1 no hydrogen 2.973 N/A HIS 45.A ND1 ASP 50.A OD2 no hydrogen 3.160 N/A ALA 46.A N THR 42.A O no hydrogen 2.962 N/A ALA 47.A N ASP 43.A O no hydrogen 2.972 N/A ASP 48.A N LEU 44.A O no hydrogen 2.867 N/A GLY 49.A N ALA 46.A O no hydrogen 3.308 N/A ASP 50.A N HIS 45.A O no hydrogen 3.445 N/A PHE 59.A N VAL 8.A O no hydrogen 3.152 N/A ILE 60.A N ASN 119.A OD1 no hydrogen 2.899 N/A VAL 66.A N ALA 36.A O no hydrogen 2.759 N/A GLY 67.A N VAL 85.A O no hydrogen 2.850 N/A TYR 68.A N LYS 33.A O no hydrogen 3.077 N/A VAL 69.A N ASP 83.A O no hydrogen 2.829 N/A SER 70.A N GLN 31.A O no hydrogen 2.890 N/A SER 70.A OG GLN 31.A O no hydrogen 3.333 N/A SER 70.A OG GLN 31.A OE1 no hydrogen 2.673 N/A GLY 73.A N GLN 29.A O no hydrogen 2.796 N/A ARG 78.A NH1 PRO 130.A O no hydrogen 3.013 N/A ARG 78.A NH1 VAL 133.A O no hydrogen 2.735 N/A ARG 78.A NH2 VAL 133.A O no hydrogen 3.491 N/A LYS 80.A N ASP 83.A OD2 no hydrogen 2.935 N/A LYS 80.A NZ ASP 83.A OD1 no hydrogen 3.262 N/A GLY 82.A N VAL 69.A O no hydrogen 2.764 N/A ASP 83.A N LYS 80.A O no hydrogen 2.997 N/A ARG 84.A NH2 VAL 140.A O no hydrogen 3.214 N/A VAL 85.A N GLY 67.A O no hydrogen 2.918 N/A GLY 86.A N GLY 134.A O no hydrogen 2.938 N/A VAL 87.A N GLY 65.A O no hydrogen 2.791 N/A TYR 91.A N GLN 112.A O no hydrogen 2.919 N/A TYR 91.A OH VAL 127.A O no hydrogen 3.411 N/A LEU 101.A N CYS 97.A O no hydrogen 2.953 N/A GLN 102.A N GLU 98.A O no hydrogen 3.177 N/A GLN 102.A N HIS 99.A O no hydrogen 3.151 N/A TRP 104.A N HIS 99.A O no hydrogen 2.896 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 3.125 N/A LEU 107.A N TRP 104.A O no hydrogen 2.935 N/A CYS 108.A N GLU 105.A O no hydrogen 3.121 N/A GLN 111.A N CYS 108.A O no hydrogen 3.171 N/A GLN 111.A NE2 THR 106.A O no hydrogen 2.762 N/A GLN 111.A NE2 CYS 108.A O no hydrogen 3.016 N/A GLN 112.A N SER 92.A O no hydrogen 2.939 N/A ASN 113.A N SER 117.A OG no hydrogen 2.751 N/A ASN 113.A ND2 TRP 89.A O no hydrogen 3.101 N/A ASN 113.A ND2 GLN 111.A OE1 no hydrogen 3.007 N/A THR 114.A N TRP 89.A O no hydrogen 3.016 N/A THR 114.A OG1 PRO 88.A O no hydrogen 2.591 N/A GLY 115.A N VAL 118.A O no hydrogen 2.793 N/A TYR 116.A N ASN 113.A O no hydrogen 3.076 N/A TYR 116.A N VAL 118.A O no hydrogen 3.245 N/A TYR 116.A OH VAL 53.A O no hydrogen 2.498 N/A SER 117.A N ASN 113.A O no hydrogen 2.868 N/A SER 117.A OG GLN 112.A OE1 no hydrogen 2.701 N/A SER 117.A OG ASN 113.A O no hydrogen 3.425 N/A VAL 118.A N ASN 113.A O no hydrogen 3.232 N/A GLY 120.A N ILE 60.A O no hydrogen 2.768 N/A GLY 121.A N GLY 62.A O no hydrogen 2.792 N/A TYR 122.A N PRO 61.A O no hydrogen 2.974 N/A TYR 122.A OH ASP 43.A OD2 no hydrogen 2.696 N/A GLU 124.A N LYS 4.A O no hydrogen 3.200 N/A VAL 126.A N VAL 32.A O no hydrogen 2.920 N/A ALA 128.A N VAL 30.A O no hydrogen 2.920 N/A ASN 131.A N ASP 129.A OD2 no hydrogen 2.866 N/A TYR 132.A N ASP 129.A O no hydrogen 2.864 N/A VAL 133.A N ASP 129.A O no hydrogen 3.299 N/A GLY 134.A N GLY 86.A O no hydrogen 2.803 N/A LEU 135.A N GLN 295.A OE1 no hydrogen 3.079 N/A LEU 136.A N ARG 84.A O no hydrogen 3.059 N/A ILE 145.A N GLY 141.A O no hydrogen 3.082 N/A ALA 146.A N PHE 142.A O no hydrogen 3.173 N/A ILE 148.A N ILE 145.A O no hydrogen 2.938 N/A LEU 149.A N ALA 146.A O no hydrogen 3.103 N/A CYS 150.A N PRO 147.A O no hydrogen 3.044 N/A GLY 152.A N PRO 147.A O no hydrogen 3.156 N/A VAL 153.A N ILE 148.A O no hydrogen 3.044 N/A THR 154.A N CYS 150.A O no hydrogen 3.216 N/A THR 154.A OG1 CYS 150.A O no hydrogen 2.743 N/A VAL 155.A N ALA 151.A O no hydrogen 3.205 N/A TYR 156.A N GLY 152.A O no hydrogen 3.001 N/A TYR 156.A OH GLU 296.A OE1 no hydrogen 2.649 N/A LYS 157.A N VAL 153.A O no hydrogen 2.857 N/A LYS 157.A NZ ASP 293.A OD2 no hydrogen 2.731 N/A GLY 158.A N THR 154.A O no hydrogen 2.845 N/A LEU 159.A N VAL 155.A O no hydrogen 2.847 N/A LYS 160.A N TYR 156.A O no hydrogen 2.877 N/A LYS 160.A NZ ASP 293.A OD1 no hydrogen 2.732 N/A LYS 160.A NZ GLU 296.A OE1 no hydrogen 3.051 N/A VAL 161.A N LYS 157.A O no hydrogen 2.922 N/A THR 162.A N LEU 159.A O no hydrogen 3.124 N/A THR 162.A OG1 LEU 159.A O no hydrogen 2.603 N/A THR 162.A OG1 THR 164.A OG1 no hydrogen 2.837 N/A ASP 163.A N LYS 160.A O no hydrogen 3.107 N/A THR 164.A OG1 THR 162.A OG1 no hydrogen 2.837 N/A GLY 167.A N GLY 190.A O no hydrogen 2.732 N/A GLN 168.A N ARG 165.A O no hydrogen 2.941 N/A VAL 170.A N ARG 192.A O no hydrogen 2.922 N/A VAL 171.A N GLY 235.A O no hydrogen 2.823 N/A ILE 172.A N ALA 194.A O no hydrogen 2.861 N/A SER 173.A N LEU 237.A O no hydrogen 2.876 N/A GLY 174.A N VAL 196.A O no hydrogen 2.878 N/A ILE 175.A N ASP 197.A OD2 no hydrogen 2.900 N/A HIS 180.A N GLY 176.A O no hydrogen 3.049 N/A HIS 180.A ND1 GLY 176.A O no hydrogen 2.909 N/A VAL 181.A N LEU 178.A O no hydrogen 2.901 N/A ALA 182.A N LEU 178.A O no hydrogen 2.972 N/A VAL 183.A N GLY 179.A O no hydrogen 2.995 N/A GLN 184.A NE2 HIS 180.A O no hydrogen 3.106 N/A GLN 184.A NE2 LYS 307.A O no hydrogen 2.826 N/A TYR 185.A N VAL 181.A O no hydrogen 3.201 N/A TYR 185.A OH SER 297.A O no hydrogen 2.784 N/A ALA 186.A N ALA 182.A O no hydrogen 2.919 N/A ARG 187.A N VAL 183.A O no hydrogen 3.110 N/A ALA 188.A N GLN 184.A O no hydrogen 3.041 N/A MET 189.A N TYR 185.A O no hydrogen 2.783 N/A MET 189.A N ALA 186.A O no hydrogen 3.129 N/A GLY 190.A N ARG 187.A O no hydrogen 2.860 N/A LEU 191.A N ALA 186.A O no hydrogen 2.938 N/A ARG 192.A N GLN 168.A O no hydrogen 2.936 N/A ARG 192.A NE GLU 212.A OE1 no hydrogen 3.206 N/A ARG 192.A NH2 GLU 212.A OE1 no hydrogen 3.284 N/A ARG 192.A NH2 GLU 212.A OE2 no hydrogen 2.756 N/A ALA 194.A N VAL 170.A O no hydrogen 2.927 N/A ALA 195.A N VAL 213.A O no hydrogen 2.774 N/A VAL 196.A N ILE 172.A O no hydrogen 3.111 N/A ASP 197.A N VAL 215.A O no hydrogen 3.455 N/A ILE 198.A N ASP 197.A OD1 no hydrogen 2.527 N/A ASP 199.A N ASP 197.A OD1 no hydrogen 3.023 N/A LYS 202.A N ASP 199.A OD1 no hydrogen 3.095 N/A LEU 203.A N ASP 199.A O no hydrogen 3.376 N/A ASN 204.A N ASP 200.A O no hydrogen 3.041 N/A LEU 205.A N ALA 201.A O no hydrogen 3.075 N/A ALA 206.A N LYS 202.A O no hydrogen 3.128 N/A ARG 207.A N LEU 203.A O no hydrogen 3.056 N/A ARG 208.A N ASN 204.A O no hydrogen 3.049 N/A LEU 209.A N LEU 205.A O no hydrogen 2.858 N/A LEU 209.A N ALA 206.A O no hydrogen 2.983 N/A GLY 210.A N ARG 207.A O no hydrogen 3.165 N/A ALA 211.A N ALA 206.A O no hydrogen 2.907 N/A VAL 213.A N VAL 193.A O no hydrogen 3.336 N/A VAL 215.A N ALA 195.A O no hydrogen 2.935 N/A ASN 216.A ND2 ILE 198.A O no hydrogen 2.995 N/A ALA 217.A N ASP 197.A O no hydrogen 2.909 N/A ARG 218.A N ASN 216.A OD1 no hydrogen 2.775 N/A ASP 219.A N ASN 216.A O no hydrogen 3.170 N/A THR 220.A N ASN 216.A O no hydrogen 3.147 N/A ALA 223.A N ASP 221.A OD1 no hydrogen 3.005 N/A ALA 224.A N ASP 221.A OD1 no hydrogen 3.462 N/A TRP 225.A N ASP 221.A O no hydrogen 2.932 N/A LEU 226.A N PRO 222.A O no hydrogen 2.910 N/A GLN 227.A N ALA 223.A O no hydrogen 2.864 N/A GLN 227.A NE2 GLY 251.A O no hydrogen 2.835 N/A GLN 227.A NE2 VAL 253.A O no hydrogen 3.077 N/A LYS 228.A N ALA 224.A O no hydrogen 3.185 N/A GLU 229.A N TRP 225.A O no hydrogen 2.685 N/A ILE 230.A N LEU 226.A O no hydrogen 2.848 N/A GLY 231.A N LEU 226.A O no hydrogen 3.102 N/A GLY 232.A N LEU 226.A O no hydrogen 3.164 N/A ALA 233.A N MET 252.A O no hydrogen 3.015 N/A GLY 235.A N TRP 169.A O no hydrogen 3.111 N/A VAL 236.A N THR 258.A O no hydrogen 2.929 N/A LEU 237.A N VAL 171.A O no hydrogen 2.709 N/A VAL 238.A N ALA 260.A O no hydrogen 2.871 N/A THR 239.A N SER 173.A O no hydrogen 3.021 N/A THR 239.A OG1 SER 173.A O no hydrogen 2.915 N/A THR 239.A OG1 GLY 174.A O no hydrogen 2.824 N/A LYS 244.A NZ GLN 248.A OE1 no hydrogen 3.505 N/A ALA 245.A N SER 242.A OG no hydrogen 3.312 N/A PHE 246.A N SER 242.A O no hydrogen 2.793 N/A SER 247.A N PRO 243.A O no hydrogen 2.820 N/A SER 247.A OG PRO 243.A O no hydrogen 3.082 N/A GLN 248.A N LYS 244.A O no hydrogen 2.871 N/A ALA 249.A N ALA 245.A O no hydrogen 2.928 N/A ILE 250.A N PHE 246.A O no hydrogen 3.194 N/A GLY 251.A N SER 247.A O no hydrogen 3.282 N/A MET 252.A N GLN 248.A O no hydrogen 2.725 N/A VAL 253.A N ALA 249.A O no hydrogen 3.199 N/A ARG 254.A N ALA 233.A O no hydrogen 2.624 N/A ARG 254.A NE GLY 232.A O no hydrogen 3.030 N/A ARG 254.A NH2 GLY 232.A O no hydrogen 3.180 N/A GLY 256.A N LYS 279.A O no hydrogen 2.702 N/A GLY 257.A N ARG 254.A O no hydrogen 2.883 N/A THR 258.A N HIS 234.A O no hydrogen 3.128 N/A ILE 259.A N THR 282.A O no hydrogen 2.745 N/A ALA 260.A N VAL 236.A O no hydrogen 2.786 N/A LEU 261.A N ARG 284.A O no hydrogen 2.695 N/A ASN 262.A N VAL 238.A O no hydrogen 2.908 N/A THR 271.A OG1 PHE 269.A O no hydrogen 3.384 N/A VAL 276.A N PRO 272.A O no hydrogen 3.220 N/A VAL 277.A N ILE 273.A O no hydrogen 2.972 N/A LEU 278.A N PHE 274.A O no hydrogen 2.940 N/A LYS 279.A N ASP 275.A O no hydrogen 2.991 N/A LYS 279.A NZ ILE 250.A O no hydrogen 3.071 N/A LYS 279.A NZ VAL 253.A O no hydrogen 2.935 N/A GLY 280.A N VAL 277.A O no hydrogen 3.094 N/A ILE 281.A N VAL 276.A O no hydrogen 2.913 N/A THR 282.A N GLY 257.A O no hydrogen 3.014 N/A ARG 284.A N ILE 259.A O no hydrogen 2.748 N/A ARG 284.A NH1 VAL 161.A O no hydrogen 3.061 N/A ARG 284.A NH1 ASP 163.A OD2 no hydrogen 3.118 N/A SER 286.A N LEU 261.A O no hydrogen 2.953 N/A VAL 288.A N THR 154.A OG1 no hydrogen 2.936 N/A THR 290.A N ASP 293.A OD2 no hydrogen 2.799 N/A ARG 291.A N GLU 105.A OE2 no hydrogen 3.038 N/A ARG 291.A NE GLU 105.A OE2 no hydrogen 2.810 N/A ARG 291.A NH1 ASN 131.A O no hydrogen 2.793 N/A SER 292.A OG GLU 296.A OE2 no hydrogen 3.349 N/A ASP 293.A N THR 290.A OG1 no hydrogen 3.034 N/A LEU 294.A N THR 290.A O no hydrogen 2.867 N/A GLN 295.A N ARG 291.A O no hydrogen 3.053 N/A GLN 295.A NE2 LEU 135.A O no hydrogen 3.665 N/A GLU 296.A N SER 292.A O no hydrogen 3.067 N/A SER 297.A N ASP 293.A O no hydrogen 3.004 N/A SER 297.A OG ASP 293.A O no hydrogen 3.268 N/A SER 297.A OG LEU 294.A O no hydrogen 2.639 N/A LEU 298.A N LEU 294.A O no hydrogen 2.911 N/A ASP 299.A N GLN 295.A O no hydrogen 3.057 N/A PHE 300.A N GLU 296.A O no hydrogen 3.294 N/A ALA 301.A N SER 297.A O no hydrogen 3.312 N/A ALA 302.A N LEU 298.A O no hydrogen 2.732 N/A HIS 303.A N ASP 299.A O no hydrogen 2.925 N/A GLY 304.A N ALA 301.A O no hydrogen 3.109 N/A ASP 305.A N PHE 300.A O no hydrogen 3.041 N/A LYS 307.A N GLN 184.A OE1 no hydrogen 2.751 N/A LYS 307.A NZ GLY 304.A O no hydrogen 2.946 N/A THR 309.A N HIS 180.A NE2 no hydrogen 2.827 N/A SER 311.A N ARG 333.A O no hydrogen 2.736 N/A ALA 313.A N VAL 335.A O no hydrogen 3.097 N/A ASP 317.A N LYS 314.A O no hydrogen 3.186 N/A VAL 318.A N LEU 315.A O no hydrogen 3.081 N/A ASN 319.A ND2 LEU 15.A O no hydrogen 2.804 N/A VAL 321.A N ASP 317.A O no hydrogen 2.899 N/A PHE 322.A N VAL 318.A O no hydrogen 2.764 N/A GLY 323.A N ASN 319.A O no hydrogen 2.854 N/A ARG 324.A N ASP 320.A O no hydrogen 3.064 N/A ARG 324.A NH1 ASP 320.A OD1 no hydrogen 2.766 N/A LEU 325.A N VAL 321.A O no hydrogen 2.962 N/A ARG 326.A N PHE 322.A O no hydrogen 2.883 N/A ARG 326.A NH1 ASP 48.A OD2 no hydrogen 2.877 N/A ARG 326.A NH2 ASP 48.A OD1 no hydrogen 3.113 N/A ARG 326.A NH2 ASP 48.A OD2 no hydrogen 3.298 N/A GLU 327.A N GLY 323.A O no hydrogen 2.950 N/A GLY 328.A N LEU 325.A O no hydrogen 3.132 N/A LYS 329.A N ARG 324.A O no hydrogen 2.913 N/A LYS 329.A NZ GLU 327.A OE1 no hydrogen 2.649 N/A ARG 333.A N THR 309.A O no hydrogen 2.687 N/A VAL 335.A N SER 311.A O no hydrogen 2.742 N/A LEU 336.A N SER 37.A O no hydrogen 2.821 N/A ASP 337.A N ALA 313.A O no hydrogen 2.907 N/A PHE 338.A N GLU 35.A O no hydrogen 2.947 N/A SER 339.A N ASP 337.A OD2 no hydrogen 2.693 N/A SER 339.A OG ASP 337.A OD1 no hydrogen 3.292 N/A SER 339.A OG ASP 337.A OD2 no hydrogen 2.583 N/A