Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q43_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ARG 3.A O no hydrogen 3.133 N/A ILE 5.A N ALA 144.A O no hydrogen 2.934 N/A ILE 6.A N LEU 108.A O no hydrogen 2.946 N/A HIS 7.A N GLY 142.A O no hydrogen 2.882 N/A HIS 7.A ND1 SER 154.A OG no hydrogen 2.856 N/A VAL 8.A N ALA 106.A O no hydrogen 2.913 N/A ASP 9.A N SER 140.A O no hydrogen 2.967 N/A MET 10.A N ASP 104.A O no hydrogen 2.975 N/A CYS 12.A SG ALA 45.A O no hydrogen 3.799 N/A ALA 16.A N CYS 12.A O no hydrogen 2.603 N/A VAL 17.A N PHE 13.A O no hydrogen 2.919 N/A GLU 18.A N PHE 14.A O no hydrogen 2.960 N/A MET 19.A N ALA 15.A O no hydrogen 2.888 N/A ARG 20.A N ALA 16.A O no hydrogen 2.911 N/A ARG 20.A NE ASP 21.A OD1 no hydrogen 2.795 N/A ARG 20.A NH1 LEU 135.A O no hydrogen 2.597 N/A ARG 20.A NH2 ASP 21.A OD1 no hydrogen 3.322 N/A ASP 21.A N VAL 17.A O no hydrogen 3.012 N/A ASN 22.A N MET 19.A O no hydrogen 3.245 N/A LEU 25.A N ASN 22.A O no hydrogen 3.148 N/A LEU 25.A N ASN 22.A OD1 no hydrogen 3.275 N/A ASP 27.A N LEU 25.A O no hydrogen 2.581 N/A ILE 30.A N ASN 46.A OD1 no hydrogen 3.255 N/A ALA 31.A N THR 71.A O no hydrogen 3.057 N/A ILE 32.A N THR 44.A O no hydrogen 2.834 N/A GLY 33.A N LEU 73.A O no hydrogen 3.101 N/A GLY 34.A N VAL 41.A O no hydrogen 3.218 N/A GLU 37.A N SER 35.A OG no hydrogen 3.330 N/A ARG 38.A N SER 35.A O no hydrogen 3.156 N/A ARG 38.A NH1 SER 35.A OG no hydrogen 3.048 N/A ARG 39.A N ARG 36.A O no hydrogen 3.050 N/A ARG 39.A NH1 MET 250.A O no hydrogen 2.444 N/A ARG 39.A NH1 ASP 253.A OD1 no hydrogen 3.489 N/A ARG 39.A NH2 ASP 253.A OD1 no hydrogen 2.645 N/A GLY 40.A N SER 35.A O no hydrogen 2.869 N/A ILE 42.A N MET 58.A O no hydrogen 2.673 N/A SER 43.A N ILE 32.A O no hydrogen 2.527 N/A THR 44.A N ILE 32.A O no hydrogen 3.050 N/A ASN 46.A N ILE 30.A O no hydrogen 3.249 N/A ASN 46.A ND2 ILE 28.A O no hydrogen 2.997 N/A ALA 49.A N ASN 46.A O no hydrogen 2.795 N/A ALA 49.A N ASN 46.A OD1 no hydrogen 3.077 N/A ARG 50.A N ASN 46.A O no hydrogen 2.820 N/A ARG 50.A NE ALA 45.A O no hydrogen 2.710 N/A ARG 50.A NH2 THR 44.A OG1 no hydrogen 3.312 N/A ARG 50.A NH2 ALA 45.A O no hydrogen 3.064 N/A LYS 51.A N TYR 47.A O no hydrogen 2.864 N/A PHE 52.A N ALA 49.A O no hydrogen 2.950 N/A GLY 53.A N ARG 50.A O no hydrogen 2.578 N/A VAL 54.A N ALA 49.A O no hydrogen 3.343 N/A ARG 55.A NH1 ARG 50.A O no hydrogen 3.083 N/A ARG 55.A NH1 VAL 54.A O no hydrogen 3.233 N/A SER 56.A OG SER 43.A O no hydrogen 2.387 N/A ALA 57.A N ILE 42.A O no hydrogen 2.743 N/A THR 60.A N GLY 40.A O no hydrogen 3.054 N/A THR 60.A OG1 GLY 34.A O no hydrogen 2.696 N/A ALA 63.A N PRO 59.A O no hydrogen 3.139 N/A LEU 64.A N THR 60.A O no hydrogen 2.898 N/A LYS 65.A N GLY 61.A O no hydrogen 2.910 N/A LEU 66.A N MET 62.A O no hydrogen 3.142 N/A CYS 67.A N LEU 64.A O no hydrogen 3.144 N/A LEU 70.A N CYS 67.A O no hydrogen 3.195 N/A THR 71.A N PRO 29.A O no hydrogen 2.910 N/A LEU 73.A N ALA 31.A O no hydrogen 2.783 N/A ARG 76.A N TYR 80.A OH no hydrogen 3.273 N/A ARG 76.A NE GLU 18.A OE1 no hydrogen 2.623 N/A ARG 76.A NE GLU 18.A OE2 no hydrogen 3.236 N/A ARG 76.A NH2 ASP 21.A OD2 no hydrogen 2.782 N/A ALA 79.A N ARG 76.A O no hydrogen 3.237 N/A TYR 80.A OH GLU 18.A OE2 no hydrogen 2.356 N/A LYS 81.A N PHE 77.A O no hydrogen 2.912 N/A LYS 81.A NZ ASN 85.A OD1 no hydrogen 3.388 N/A GLU 82.A N ASP 78.A O no hydrogen 2.918 N/A ALA 83.A N ALA 79.A O no hydrogen 2.950 N/A SER 84.A N TYR 80.A O no hydrogen 2.901 N/A SER 84.A OG LEU 103.A O no hydrogen 2.704 N/A ASN 85.A N LYS 81.A O no hydrogen 2.921 N/A HIS 86.A N GLU 82.A O no hydrogen 2.964 N/A HIS 86.A NE2 GLU 134.A OE1 no hydrogen 3.039 N/A ILE 87.A N ALA 83.A O no hydrogen 2.925 N/A ARG 88.A N SER 84.A O no hydrogen 2.960 N/A GLU 89.A N ASN 85.A O no hydrogen 2.965 N/A ILE 90.A N HIS 86.A O no hydrogen 2.937 N/A PHE 91.A N ILE 87.A O no hydrogen 2.913 N/A SER 92.A N ARG 88.A O no hydrogen 2.972 N/A SER 92.A OG GLU 89.A O no hydrogen 2.217 N/A ARG 93.A N GLU 89.A O no hydrogen 3.416 N/A ARG 93.A NE GLU 89.A OE2 no hydrogen 2.561 N/A ARG 93.A NH1 GLU 134.A OE2 no hydrogen 2.322 N/A ARG 93.A NH2 GLU 89.A OE2 no hydrogen 3.041 N/A ARG 93.A NH2 GLU 134.A OE1 no hydrogen 3.037 N/A TYR 94.A N PHE 91.A O no hydrogen 3.275 N/A TYR 94.A OH GLU 126.A OE1 no hydrogen 3.176 N/A THR 95.A N PHE 91.A O no hydrogen 3.292 N/A THR 95.A N SER 92.A O no hydrogen 3.027 N/A THR 95.A OG1 ASP 109.A O no hydrogen 2.780 N/A ARG 97.A N THR 95.A OG1 no hydrogen 3.143 N/A ARG 97.A NH2 VAL 235.A O no hydrogen 3.046 N/A ILE 98.A N SER 96.A O no hydrogen 2.933 N/A GLU 99.A N TYR 107.A O no hydrogen 2.895 N/A LEU 101.A N GLU 105.A O no hydrogen 3.188 N/A SER 102.A OG ASP 104.A OD1 no hydrogen 3.197 N/A ALA 106.A N VAL 8.A O no hydrogen 2.983 N/A TYR 107.A N GLU 99.A O no hydrogen 2.884 N/A TYR 107.A OH LYS 147.A O no hydrogen 3.166 N/A LEU 108.A N ILE 6.A O no hydrogen 2.841 N/A ASP 109.A N ARG 97.A O no hydrogen 3.021 N/A VAL 110.A N LYS 4.A O no hydrogen 3.023 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.400 N/A THR 111.A OG1 ASP 112.A OD1 no hydrogen 2.941 N/A SER 113.A OG VAL 110.A O no hydrogen 3.447 N/A SER 113.A OG ASP 112.A O no hydrogen 2.767 N/A CYS 116.A SG HIS 115.A O no hydrogen 3.160 N/A HIS 117.A N VAL 114.A O no hydrogen 3.508 N/A SER 119.A N CYS 116.A O no hydrogen 2.866 N/A LEU 122.A N SER 119.A OG no hydrogen 2.976 N/A ILE 123.A N SER 119.A O no hydrogen 3.095 N/A ALA 124.A N ALA 120.A O no hydrogen 2.896 N/A GLN 125.A N THR 121.A O no hydrogen 2.926 N/A GLN 125.A NE2 GLN 125.A O no hydrogen 3.697 N/A GLU 126.A N LEU 122.A O no hydrogen 2.888 N/A ILE 127.A N ILE 123.A O no hydrogen 2.874 N/A ARG 128.A N ALA 124.A O no hydrogen 2.901 N/A ARG 128.A NE GLN 162.A OE1 no hydrogen 3.322 N/A ARG 128.A NH1 ALA 139.A O no hydrogen 3.040 N/A ARG 128.A NH1 ASN 160.A OD1 no hydrogen 2.759 N/A GLN 129.A N GLN 125.A O no hydrogen 2.975 N/A THR 130.A N GLU 126.A O no hydrogen 2.838 N/A THR 130.A OG1 GLU 134.A OE2 no hydrogen 3.347 N/A ILE 131.A N ILE 127.A O no hydrogen 2.876 N/A PHE 132.A N ARG 128.A O no hydrogen 2.963 N/A ASN 133.A N GLN 129.A O no hydrogen 2.901 N/A GLU 134.A N THR 130.A O no hydrogen 2.881 N/A LEU 135.A N ILE 131.A O no hydrogen 2.897 N/A THR 138.A OG1 ASP 11.A OD2 no hydrogen 2.412 N/A SER 140.A N ASP 9.A O no hydrogen 2.905 N/A SER 140.A OG ASP 11.A OD1 no hydrogen 2.569 N/A SER 140.A OG ASP 11.A OD2 no hydrogen 3.354 N/A ALA 141.A N GLY 161.A O no hydrogen 3.167 N/A GLY 142.A N HIS 7.A O no hydrogen 2.908 N/A VAL 143.A N PHE 163.A O no hydrogen 2.909 N/A ALA 144.A N ILE 5.A O no hydrogen 2.993 N/A LYS 147.A NZ GLU 99.A OE1 no hydrogen 2.998 N/A LYS 147.A NZ ASP 234.A O no hydrogen 2.843 N/A PHE 148.A N ASP 231.A OD2 no hydrogen 3.107 N/A ALA 150.A N VAL 146.A O no hydrogen 3.158 N/A ALA 150.A N LYS 147.A O no hydrogen 2.927 N/A LYS 151.A N LYS 147.A O no hydrogen 2.921 N/A LYS 151.A NZ GLU 105.A OE1 no hydrogen 3.011 N/A ILE 152.A N PHE 148.A O no hydrogen 2.905 N/A ALA 153.A N LEU 149.A O no hydrogen 2.900 N/A SER 154.A N ALA 150.A O no hydrogen 2.937 N/A SER 154.A OG HIS 7.A ND1 no hydrogen 2.856 N/A SER 154.A OG ALA 150.A O no hydrogen 3.492 N/A SER 154.A OG LYS 151.A O no hydrogen 2.527 N/A ASP 155.A N ILE 152.A O no hydrogen 3.368 N/A MET 156.A N ALA 153.A O no hydrogen 3.144 N/A ASN 157.A ND2 GLN 162.A O no hydrogen 2.662 N/A LYS 158.A N ASP 155.A O no hydrogen 3.150 N/A LYS 158.A NZ MET 10.A O no hydrogen 2.697 N/A LYS 158.A NZ ASP 11.A OD1 no hydrogen 2.607 N/A ASN 160.A N ASP 11.A OD2 no hydrogen 2.840 N/A GLN 162.A NE2 THR 121.A O no hydrogen 3.098 N/A PHE 163.A N ALA 141.A O no hydrogen 2.960 N/A ILE 165.A N VAL 143.A O no hydrogen 2.606 N/A THR 166.A N GLU 169.A OE2 no hydrogen 2.530 N/A GLU 169.A N THR 166.A O no hydrogen 2.767 N/A PHE 173.A N GLU 169.A O no hydrogen 3.092 N/A LEU 174.A N VAL 170.A O no hydrogen 2.881 N/A LEU 174.A N PRO 171.A O no hydrogen 3.227 N/A GLN 175.A N PRO 171.A O no hydrogen 2.944 N/A GLN 175.A N ALA 172.A O no hydrogen 3.259 N/A LEU 177.A N LEU 174.A O no hydrogen 3.367 N/A LEU 179.A N ARG 199.A O no hydrogen 2.708 N/A LYS 181.A N PRO 178.A O no hydrogen 3.258 N/A ILE 182.A N LEU 179.A O no hydrogen 2.991 N/A VAL 185.A N ILE 182.A O no hydrogen 3.078 N/A ALA 190.A N GLY 186.A O no hydrogen 2.792 N/A ALA 191.A N VAL 188.A O no hydrogen 3.098 N/A LYS 192.A N VAL 188.A O no hydrogen 2.961 N/A LEU 193.A N SER 189.A O no hydrogen 2.896 N/A ALA 195.A N ALA 191.A O no hydrogen 2.945 N/A MET 196.A N LYS 192.A O no hydrogen 2.908 N/A GLY 197.A N LEU 193.A O no hydrogen 2.765 N/A LEU 198.A N LEU 193.A O no hydrogen 2.482 N/A ARG 199.A N ASP 203.A OD2 no hydrogen 3.434 N/A THR 200.A N ASP 203.A OD2 no hydrogen 3.289 N/A CYS 201.A N LEU 177.A O no hydrogen 2.789 N/A CYS 201.A SG LEU 177.A O no hydrogen 3.747 N/A CYS 201.A SG SER 227.A OG no hydrogen 3.683 N/A ASP 203.A N THR 200.A O no hydrogen 2.895 N/A VAL 204.A N THR 200.A O no hydrogen 3.397 N/A GLN 205.A N CYS 201.A O no hydrogen 2.832 N/A GLN 205.A NE2 SER 227.A O no hydrogen 3.004 N/A LYS 206.A N ASP 203.A O no hydrogen 3.443 N/A CYS 207.A N VAL 204.A O no hydrogen 3.084 N/A CYS 207.A SG VAL 204.A O no hydrogen 3.022 N/A MET 211.A N ASP 208.A O no hydrogen 2.658 N/A MET 211.A N ASP 208.A OD2 no hydrogen 2.746 N/A LEU 212.A N ASP 208.A O no hydrogen 3.380 N/A LEU 213.A N LEU 209.A O no hydrogen 2.930 N/A LYS 214.A N VAL 210.A O no hydrogen 2.929 N/A ARG 215.A N MET 211.A O no hydrogen 2.884 N/A GLY 217.A N LEU 212.A O no hydrogen 3.209 N/A GLY 217.A N LEU 213.A O no hydrogen 3.128 N/A ARG 221.A N GLY 217.A O no hydrogen 3.343 N/A TRP 224.A N GLY 220.A O no hydrogen 3.450 N/A GLU 225.A N ARG 221.A O no hydrogen 2.913 N/A ARG 226.A N ILE 222.A O no hydrogen 2.854 N/A ARG 226.A NH1 ILE 230.A O no hydrogen 2.538 N/A SER 227.A N LEU 223.A O no hydrogen 2.897 N/A SER 227.A OG LEU 223.A O no hydrogen 2.766 N/A GLN 228.A N TRP 224.A O no hydrogen 2.946 N/A GLY 229.A N ARG 226.A O no hydrogen 2.899 N/A ILE 230.A N GLU 225.A O no hydrogen 2.969 N/A ARG 233.A NE ASP 231.A OD1 no hydrogen 2.650 N/A ARG 233.A NE ASP 231.A OD2 no hydrogen 3.325 N/A ARG 233.A NH2 ASP 231.A OD2 no hydrogen 2.831 N/A ASN 236.A N GLU 99.A OE1 no hydrogen 3.054 N/A GLU 238.A N ASN 236.A O no hydrogen 2.407 N/A ARG 239.A NE GLU 99.A OE2 no hydrogen 2.990 N/A VAL 244.A N VAL 337.A O no hydrogen 2.918 N/A VAL 246.A N LEU 335.A O no hydrogen 2.932 N/A ARG 248.A N VAL 333.A O no hydrogen 2.929 N/A MET 250.A N ARG 331.A O no hydrogen 2.697 N/A ILE 254.A N VAL 330.A O no hydrogen 3.242 N/A HIS 255.A N GLU 259.A OE2 no hydrogen 2.932 N/A HIS 256.A N GLU 259.A OE2 no hydrogen 2.684 N/A GLU 259.A N HIS 256.A O no hydrogen 2.998 N/A CYS 260.A N HIS 256.A O no hydrogen 3.349 N/A GLU 261.A N TRP 257.A O no hydrogen 2.874 N/A ALA 262.A N SER 258.A O no hydrogen 2.913 N/A ILE 263.A N GLU 259.A O no hydrogen 2.890 N/A ILE 264.A N CYS 260.A O no hydrogen 2.925 N/A GLU 265.A N GLU 261.A O no hydrogen 2.929 N/A ARG 266.A N ALA 262.A O no hydrogen 2.936 N/A LEU 267.A N ILE 263.A O no hydrogen 2.884 N/A TYR 268.A N ILE 264.A O no hydrogen 2.936 N/A GLU 270.A N LEU 267.A O no hydrogen 3.044 N/A LEU 271.A N LEU 267.A O no hydrogen 3.063 N/A GLU 272.A N TYR 268.A O no hydrogen 2.766 N/A ARG 273.A N PRO 269.A O no hydrogen 3.219 N/A ARG 273.A NE GLU 270.A OE1 no hydrogen 3.002 N/A ARG 273.A NH2 GLU 270.A OE2 no hydrogen 2.304 N/A ARG 274.A N GLU 270.A O no hydrogen 3.464 N/A LEU 275.A N LEU 271.A O no hydrogen 3.181 N/A ALA 276.A N GLU 272.A O no hydrogen 2.731 N/A LYS 277.A N LEU 275.A O no hydrogen 2.646 N/A VAL 278.A N LEU 275.A O no hydrogen 3.145 N/A LYS 279.A N LEU 275.A O no hydrogen 3.096 N/A LYS 279.A NZ ASP 281.A OD2 no hydrogen 2.475 N/A ASP 281.A N ASP 281.A OD1 no hydrogen 2.339 N/A LEU 282.A N LYS 279.A O no hydrogen 2.868 N/A ALA 285.A N THR 338.A O no hydrogen 3.220 N/A ARG 286.A NH2 GLU 302.A OE2 no hydrogen 3.553 N/A GLN 287.A N HIS 303.A O no hydrogen 2.951 N/A GLN 287.A NE2 ASN 309.A O no hydrogen 3.240 N/A GLN 287.A NE2 ASP 312.A OD2 no hydrogen 3.093 N/A GLY 288.A N HIS 336.A O no hydrogen 2.813 N/A VAL 289.A N GLN 301.A O no hydrogen 2.919 N/A LYS 290.A N GLY 334.A O no hydrogen 2.875 N/A LYS 290.A NZ GLU 247.A OE1 no hydrogen 2.545 N/A LYS 290.A NZ GLU 247.A OE2 no hydrogen 2.967 N/A LEU 291.A N THR 299.A O no hydrogen 2.916 N/A LYS 292.A N LEU 332.A O no hydrogen 3.114 N/A LYS 292.A NZ GLN 298.A OE1 no hydrogen 3.025 N/A PHE 293.A N GLN 297.A O no hydrogen 2.728 N/A ASP 294.A N GLY 329.A O no hydrogen 2.775 N/A ASP 295.A N ASP 295.A OD1 no hydrogen 2.671 N/A PHE 296.A N PHE 293.A O no hydrogen 2.714 N/A THR 299.A N LEU 291.A O no hydrogen 2.873 N/A GLN 301.A N VAL 289.A O no hydrogen 2.889 N/A HIS 303.A N GLN 287.A O no hydrogen 2.885 N/A HIS 303.A NE2 ASP 312.A OD2 no hydrogen 2.736 N/A TRP 305.A N ALA 285.A O no hydrogen 3.170 N/A TRP 305.A NE1 ASN 309.A OD1 no hydrogen 2.414 N/A ARG 307.A NH1 LEU 308.A O no hydrogen 2.917 N/A LEU 308.A N LEU 282.A O no hydrogen 3.145 N/A LYS 310.A NZ GLU 265.A OE1 no hydrogen 3.395 N/A ILE 314.A N LYS 310.A O no hydrogen 2.894 N/A ALA 315.A N ALA 311.A O no hydrogen 2.889 N/A THR 316.A N ASP 312.A O no hydrogen 2.861 N/A THR 316.A OG1 ASP 312.A O no hydrogen 2.344 N/A ALA 317.A N LEU 313.A O no hydrogen 2.892 N/A ARG 318.A N ILE 314.A O no hydrogen 2.842 N/A LYS 319.A N ALA 315.A O no hydrogen 2.934 N/A THR 320.A N THR 316.A O no hydrogen 2.871 N/A THR 320.A OG1 GLN 301.A OE1 no hydrogen 3.152 N/A THR 320.A OG1 THR 316.A O no hydrogen 2.224 N/A TRP 321.A N ALA 317.A O no hydrogen 2.865 N/A ASP 322.A N LYS 319.A O no hydrogen 3.333 N/A ARG 324.A N THR 320.A O no hydrogen 3.280 N/A ARG 324.A NH1 THR 299.A OG1 no hydrogen 3.159 N/A ARG 324.A NH1 THR 300.A O no hydrogen 3.239 N/A ARG 325.A NE ARG 328.A O no hydrogen 3.134 N/A ARG 328.A N ARG 325.A O no hydrogen 3.375 N/A ARG 328.A NE ARG 325.A O no hydrogen 2.608 N/A ARG 328.A NH1 ASP 295.A OD1 no hydrogen 3.265 N/A ARG 328.A NH1 ASP 295.A OD2 no hydrogen 3.239 N/A ARG 328.A NH2 ARG 324.A O no hydrogen 2.544 N/A ARG 328.A NH2 ARG 325.A O no hydrogen 3.288 N/A GLY 329.A N ASP 294.A OD2 no hydrogen 2.786 N/A VAL 330.A N ILE 254.A O no hydrogen 3.322 N/A ARG 331.A N LYS 292.A O no hydrogen 2.902 N/A LEU 332.A N LYS 292.A O no hydrogen 3.474 N/A VAL 333.A N ARG 248.A O no hydrogen 2.924 N/A GLY 334.A N LYS 290.A O no hydrogen 2.894 N/A LEU 335.A N VAL 246.A O no hydrogen 2.838 N/A HIS 336.A N GLY 288.A O no hydrogen 3.052 N/A HIS 336.A ND1 GLU 302.A OE2 no hydrogen 3.115 N/A VAL 337.A N VAL 244.A O no hydrogen 2.903 N/A THR 338.A N ARG 286.A O no hydrogen 2.798 N/A THR 338.A OG1 GLU 302.A OE2 no hydrogen 3.160 N/A LEU 339.A N LYS 242.A O no hydrogen 2.791 N/A