Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N PRO 203.A O no hydrogen 3.025 N/A LYS 4.A N GLY 68.A O no hydrogen 2.815 N/A LYS 6.A NZ LEU 39.A O no hydrogen 2.700 N/A LYS 6.A NZ LEU 200.A O no hydrogen 2.922 N/A LYS 6.A NZ ASP 202.A O no hydrogen 2.801 N/A VAL 7.A N TYR 70.A O no hydrogen 2.979 N/A ALA 8.A N LYS 42.A O no hydrogen 3.517 N/A LEU 9.A N LEU 72.A O no hydrogen 2.781 N/A LEU 10.A N VAL 44.A O no hydrogen 2.958 N/A ILE 11.A N TYR 74.A O no hydrogen 2.737 N/A GLY 12.A N LEU 46.A O no hydrogen 2.961 N/A ASN 13.A N ALA 76.A O no hydrogen 2.873 N/A ASN 13.A ND2 VAL 89.A O no hydrogen 3.267 N/A MET 14.A N ASP 48.A OD1 no hydrogen 3.239 N/A TYR 16.A OH VAL 89.A O no hydrogen 2.686 N/A ARG 17.A N VAL 91.A O no hydrogen 3.299 N/A LEU 22.A N MET 14.A O no hydrogen 3.329 N/A VAL 27.A N ALA 24.A O no hydrogen 3.064 N/A ASP 28.A N ALA 24.A O no hydrogen 3.377 N/A VAL 29.A N PRO 25.A O no hydrogen 2.771 N/A TYR 30.A N LEU 26.A O no hydrogen 3.177 N/A GLU 31.A N VAL 27.A O no hydrogen 2.665 N/A LEU 32.A N ASP 28.A O no hydrogen 2.879 N/A THR 33.A N VAL 29.A O no hydrogen 2.881 N/A THR 33.A OG1 VAL 29.A O no hydrogen 2.487 N/A ASN 34.A N TYR 30.A O no hydrogen 3.260 N/A LEU 35.A N GLU 31.A O no hydrogen 3.291 N/A LEU 36.A N LEU 32.A O no hydrogen 2.874 N/A ARG 37.A N THR 33.A O no hydrogen 2.779 N/A GLN 38.A N ASN 34.A O no hydrogen 2.909 N/A LEU 39.A N LEU 35.A O no hydrogen 3.248 N/A ASP 40.A N ARG 37.A O no hydrogen 2.979 N/A PHE 41.A N LEU 36.A O no hydrogen 3.121 N/A LYS 42.A N LYS 6.A O no hydrogen 2.843 N/A LYS 42.A NZ ASP 5.A OD1 no hydrogen 2.740 N/A VAL 44.A N ALA 8.A O no hydrogen 3.119 N/A SER 45.A N SER 242.A OG no hydrogen 2.764 N/A LEU 46.A N LEU 10.A O no hydrogen 2.768 N/A LEU 47.A N ASN 243.A OD1 no hydrogen 3.011 N/A ASP 48.A N GLY 12.A O no hydrogen 2.846 N/A LEU 49.A N ASN 13.A OD1 no hydrogen 3.003 N/A THR 50.A N GLU 53.A OE1 no hydrogen 2.808 N/A GLU 51.A N ASP 92.A OD1 no hydrogen 3.052 N/A GLU 51.A N ASP 92.A OD2 no hydrogen 2.910 N/A MET 54.A N THR 50.A O no hydrogen 2.999 N/A ARG 55.A N GLU 51.A O no hydrogen 3.022 N/A ARG 55.A NE GLU 51.A OE2 no hydrogen 3.040 N/A ARG 55.A NH1 GLU 51.A OE2 no hydrogen 2.720 N/A ARG 55.A NH1 CYS 102.A O no hydrogen 2.973 N/A ARG 55.A NH2 CYS 102.A O no hydrogen 3.192 N/A ASN 56.A N TYR 52.A O no hydrogen 3.101 N/A ASN 56.A ND2 MET 350.A O no hydrogen 2.765 N/A ALA 57.A N GLU 53.A O no hydrogen 2.897 N/A VAL 58.A N MET 54.A O no hydrogen 3.127 N/A ASP 59.A N ARG 55.A O no hydrogen 3.177 N/A GLU 60.A N ASN 56.A O no hydrogen 3.014 N/A PHE 61.A N ALA 57.A O no hydrogen 2.786 N/A LEU 62.A N VAL 58.A O no hydrogen 2.711 N/A LEU 63.A N ASP 59.A O no hydrogen 3.032 N/A LEU 64.A N PHE 61.A O no hydrogen 3.185 N/A LEU 65.A N LEU 62.A O no hydrogen 3.155 N/A ASP 66.A N LEU 64.A O no hydrogen 2.764 N/A LYS 67.A NZ GLU 116.A OE1 no hydrogen 3.157 N/A LYS 67.A NZ GLU 116.A OE2 no hydrogen 3.527 N/A GLY 68.A N GLU 116.A O no hydrogen 2.881 N/A VAL 69.A N ASP 66.A O no hydrogen 3.522 N/A TYR 70.A N ASP 5.A O no hydrogen 2.868 N/A TYR 70.A OH ASP 202.A OD2 no hydrogen 2.612 N/A GLY 71.A N LEU 119.A O no hydrogen 3.035 N/A LEU 72.A N VAL 7.A O no hydrogen 3.212 N/A LEU 73.A N VAL 121.A O no hydrogen 2.672 N/A TYR 74.A N LEU 9.A O no hydrogen 2.882 N/A TYR 74.A OH ASP 125.A OD2 no hydrogen 2.729 N/A TYR 75.A N LEU 123.A O no hydrogen 3.017 N/A TYR 75.A OH TYR 16.A OH no hydrogen 3.210 N/A TYR 75.A OH HIS 78.A O no hydrogen 2.809 N/A TYR 75.A OH VAL 89.A O no hydrogen 2.872 N/A ALA 76.A N ILE 11.A O no hydrogen 2.811 N/A GLY 77.A N ASP 125.A O no hydrogen 3.247 N/A HIS 78.A N TYR 16.A OH no hydrogen 2.851 N/A HIS 78.A NE2 PRO 20.A O no hydrogen 2.737 N/A GLY 79.A N CYS 127.A O no hydrogen 2.951 N/A TYR 80.A N PHE 87.A O no hydrogen 3.044 N/A TYR 80.A OH ASN 82.A OD1 no hydrogen 2.937 N/A ASN 82.A N ASN 85.A O no hydrogen 2.846 N/A ASN 85.A N ASN 82.A O no hydrogen 3.327 N/A ASN 85.A ND2 GLN 106.A OE1 no hydrogen 3.352 N/A SER 86.A N GLN 106.A OE1 no hydrogen 2.855 N/A PHE 87.A N TYR 80.A O no hydrogen 2.772 N/A MET 88.A N LEU 103.A O no hydrogen 2.986 N/A VAL 89.A N HIS 78.A O no hydrogen 2.921 N/A VAL 91.A N LEU 49.A O no hydrogen 3.396 N/A SER 99.A OG GLU 100.A OE1 no hydrogen 3.117 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.734 N/A ASN 101.A N ARG 98.A O no hydrogen 3.289 N/A CYS 102.A N SER 99.A O no hydrogen 2.757 N/A CYS 102.A SG ARG 98.A O no hydrogen 3.567 N/A LEU 103.A N MET 88.A O no hydrogen 3.118 N/A CYS 104.A SG GLN 106.A OE1 no hydrogen 3.361 N/A CYS 104.A SG ASN 107.A OD1 no hydrogen 3.697 N/A VAL 105.A N SER 86.A O no hydrogen 3.038 N/A GLN 106.A NE2 SER 86.A OG no hydrogen 3.413 N/A ASN 107.A N CYS 104.A O no hydrogen 3.108 N/A ILE 108.A N CYS 104.A O no hydrogen 3.344 N/A LEU 109.A N VAL 105.A O no hydrogen 2.913 N/A LYS 110.A N GLN 106.A O no hydrogen 2.932 N/A LEU 111.A N ASN 107.A O no hydrogen 2.983 N/A MET 112.A N ILE 108.A O no hydrogen 2.884 N/A GLN 113.A N LEU 109.A O no hydrogen 2.864 N/A GLU 114.A N LEU 111.A O no hydrogen 3.273 N/A LYS 115.A N MET 112.A O no hydrogen 3.113 N/A LYS 115.A NZ LEU 62.A O no hydrogen 2.740 N/A THR 117.A OG1 ALA 131.A O no hydrogen 3.044 N/A GLY 118.A N VAL 69.A O no hydrogen 3.078 N/A ASN 120.A N ASN 132.A O no hydrogen 3.320 N/A VAL 121.A N GLY 71.A O no hydrogen 2.813 N/A PHE 122.A N VAL 134.A O no hydrogen 2.909 N/A LEU 123.A N LEU 73.A O no hydrogen 2.695 N/A LEU 124.A N GLY 136.A O no hydrogen 2.937 N/A ASP 125.A N TYR 75.A O no hydrogen 2.830 N/A MET 126.A N ALA 138.A O no hydrogen 3.293 N/A VAL 134.A N ASN 120.A O no hydrogen 2.858 N/A PHE 135.A N ARG 191.A O no hydrogen 2.676 N/A GLY 136.A N PHE 122.A O no hydrogen 2.793 N/A TYR 137.A N GLU 189.A O no hydrogen 2.783 N/A TYR 137.A OH GLU 81.A OE2 no hydrogen 2.636 N/A ALA 138.A N LEU 124.A O no hydrogen 2.757 N/A THR 139.A OG1 ALA 187.A O no hydrogen 2.869 N/A GLN 141.A NE2 ASP 125.A O no hydrogen 2.816 N/A SER 144.A OG LEU 146.A O no hydrogen 3.377 N/A GLY 149.A N ASP 28.A OD1 no hydrogen 2.981 N/A LYS 153.A N GLY 149.A O no hydrogen 2.871 N/A PHE 154.A N PHE 151.A O no hydrogen 3.300 N/A LEU 155.A N PHE 151.A O no hydrogen 2.832 N/A LYS 156.A N MET 152.A O no hydrogen 2.801 N/A LYS 156.A NZ GLU 31.A OE1 no hydrogen 2.831 N/A LYS 156.A NZ GLU 31.A OE2 no hydrogen 3.474 N/A ARG 158.A NE ASP 175.A OD1 no hydrogen 3.436 N/A ARG 158.A NE ASP 175.A OD2 no hydrogen 2.736 N/A ARG 158.A NH2 ASP 175.A OD1 no hydrogen 3.309 N/A LEU 159.A N LEU 155.A O no hydrogen 2.826 N/A GLU 161.A N ARG 158.A O no hydrogen 3.071 N/A ILE 165.A N ARG 198.A O no hydrogen 3.357 N/A VAL 167.A N LYS 164.A O no hydrogen 2.939 N/A LEU 168.A N LYS 164.A O no hydrogen 3.067 N/A LEU 169.A N ILE 165.A O no hydrogen 2.832 N/A ASP 170.A N THR 166.A O no hydrogen 2.845 N/A GLU 171.A N VAL 167.A O no hydrogen 2.944 N/A VAL 172.A N LEU 168.A O no hydrogen 2.768 N/A ALA 173.A N LEU 169.A O no hydrogen 3.174 N/A GLU 174.A N ASP 170.A O no hydrogen 3.186 N/A ASP 175.A N GLU 171.A O no hydrogen 2.826 N/A MET 176.A N VAL 172.A O no hydrogen 2.999 N/A GLY 177.A N ALA 173.A O no hydrogen 3.294 N/A LYS 178.A N ASP 175.A O no hydrogen 3.229 N/A CYS 179.A N ASP 175.A O no hydrogen 3.310 N/A CYS 179.A SG THR 182.A OG1 no hydrogen 3.093 N/A THR 182.A OG1 MET 176.A O no hydrogen 2.791 N/A ALA 187.A N LYS 185.A O no hydrogen 3.079 N/A GLU 189.A N TYR 137.A O no hydrogen 3.020 N/A ARG 191.A N PHE 135.A O no hydrogen 2.748 N/A SER 193.A N ILE 133.A O no hydrogen 3.192 N/A LEU 194.A N SER 192.A OG no hydrogen 3.071 N/A ARG 198.A N GLU 196.A O no hydrogen 2.818 N/A ARG 198.A NH1 TYR 70.A OH no hydrogen 3.404 N/A ALA 199.A N ASP 202.A OD2 no hydrogen 3.122 N/A THR 201.A OG1 GLU 161.A O no hydrogen 3.562 N/A THR 201.A OG1 ASP 162.A OD1 no hydrogen 2.662 N/A THR 201.A OG1 THR 201.A O no hydrogen 2.470 N/A LEU 211.A N VAL 208.A O no hydrogen 3.156 N/A GLN 212.A N VAL 208.A O no hydrogen 3.282 N/A TRP 213.A N ARG 209.A O no hydrogen 3.236 N/A TRP 213.A NE1 VAL 43.A O no hydrogen 2.596 N/A ALA 214.A N ASN 210.A O no hydrogen 3.313 N/A LYS 215.A N LEU 211.A O no hydrogen 3.277 N/A ALA 216.A N GLN 212.A O no hydrogen 3.229 N/A HIS 217.A N ALA 214.A O no hydrogen 3.232 N/A SER 222.A OG LEU 235.A O no hydrogen 3.328 N/A MET 223.A N LEU 235.A O no hydrogen 2.807 N/A LEU 225.A N ILE 233.A O no hydrogen 2.854 N/A PHE 227.A N VAL 231.A O no hydrogen 3.153 N/A GLY 230.A N PHE 227.A O no hydrogen 2.922 N/A GLN 232.A N TYR 253.A O no hydrogen 3.368 N/A ILE 233.A N LEU 225.A O no hydrogen 2.854 N/A GLN 234.A N SER 250.A O no hydrogen 2.804 N/A GLN 234.A NE2 SER 222.A OG no hydrogen 3.188 N/A LEU 235.A N MET 223.A O no hydrogen 2.528 N/A GLY 236.A N TYR 248.A O no hydrogen 2.829 N/A ALA 238.A N ILE 246.A O no hydrogen 2.958 N/A GLU 240.A N VAL 244.A O no hydrogen 2.960 N/A PHE 241.A N VAL 244.A O no hydrogen 3.230 N/A SER 242.A N SER 45.A O no hydrogen 2.628 N/A SER 242.A OG SER 45.A O no hydrogen 3.269 N/A ASN 243.A ND2 LEU 47.A O no hydrogen 2.679 N/A ASN 243.A ND2 GLN 309.A OE1 no hydrogen 2.934 N/A VAL 244.A N PHE 241.A O no hydrogen 3.293 N/A MET 245.A N LEU 305.A O no hydrogen 3.199 N/A ILE 246.A N ALA 238.A O no hydrogen 2.920 N/A ILE 247.A N THR 303.A O no hydrogen 2.699 N/A TYR 248.A N GLY 236.A O no hydrogen 3.079 N/A THR 249.A N LEU 301.A O no hydrogen 3.028 N/A THR 249.A OG1 ALA 263.A O no hydrogen 2.659 N/A SER 250.A N GLN 234.A O no hydrogen 3.116 N/A VAL 252.A N GLN 232.A O no hydrogen 3.022 N/A TYR 253.A N GLN 232.A O no hydrogen 3.481 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.812 N/A ILE 258.A N PRO 255.A O no hydrogen 3.163 N/A ASP 262.A N LEU 321.A O no hydrogen 3.413 N/A TYR 264.A N CYS 320.A O no hydrogen 2.925 N/A VAL 265.A N ASN 280.A OD1 no hydrogen 2.806 N/A THR 266.A N THR 318.A O no hydrogen 2.762 N/A ASP 267.A N THR 266.A OG1 no hydrogen 2.759 N/A ILE 274.A N LEU 272.A O no hydrogen 3.021 N/A ASP 278.A N ASP 275.A O no hydrogen 2.835 N/A ALA 279.A N PRO 276.A O no hydrogen 3.420 N/A ASN 280.A N THR 303.A OG1 no hydrogen 2.957 N/A ASN 280.A ND2 VAL 265.A O no hydrogen 2.872 N/A LYS 281.A N TYR 302.A O no hydrogen 2.976 N/A THR 283.A N GLU 286.A OE1 no hydrogen 2.843 N/A THR 283.A OG1 GLU 285.A OE1 no hydrogen 3.189 N/A THR 283.A OG1 GLU 286.A OE1 no hydrogen 2.930 N/A GLU 286.A N THR 283.A O no hydrogen 3.401 N/A THR 287.A N PRO 284.A O no hydrogen 3.421 N/A THR 287.A OG1 PRO 284.A O no hydrogen 3.506 N/A SER 289.A N PRO 284.A O no hydrogen 3.348 N/A SER 289.A OG PRO 284.A O no hydrogen 2.670 N/A SER 289.A OG LEU 291.A O no hydrogen 3.173 N/A TYR 290.A N GLU 240.A OE1 no hydrogen 2.803 N/A SER 293.A N GLU 285.A OE2 no hydrogen 2.550 N/A SER 293.A OG GLU 285.A OE1 no hydrogen 2.935 N/A SER 293.A OG GLU 285.A OE2 no hydrogen 2.838 N/A ASP 295.A N VAL 292.A O no hydrogen 3.007 N/A CYS 300.A SG PRO 297.A O no hydrogen 3.217 N/A CYS 300.A SG LYS 298.A O no hydrogen 3.598 N/A LEU 301.A N THR 249.A O no hydrogen 3.087 N/A TYR 302.A N LYS 281.A O no hydrogen 3.109 N/A TYR 302.A OH PRO 297.A O no hydrogen 2.329 N/A THR 303.A N ILE 247.A O no hydrogen 3.038 N/A ARG 304.A NE GLU 240.A OE2 no hydrogen 2.739 N/A ARG 304.A NH2 GLU 240.A OE1 no hydrogen 3.461 N/A LEU 305.A N MET 245.A O no hydrogen 2.651 N/A GLN 309.A N GLN 309.A OE1 no hydrogen 2.812 N/A GLN 309.A NE2 GLU 53.A OE1 no hydrogen 3.512 N/A GLN 309.A NE2 GLU 53.A OE2 no hydrogen 3.431 N/A LYS 310.A NZ GLU 53.A OE1 no hydrogen 3.202 N/A LYS 310.A NZ GLU 53.A OE2 no hydrogen 2.591 N/A LEU 311.A N LEU 308.A O no hydrogen 3.065 N/A LYS 312.A NZ ASP 271.A OD1 no hydrogen 2.781 N/A LEU 315.A N GLY 341.A O no hydrogen 2.704 N/A PHE 317.A N VAL 338.A O no hydrogen 3.278 N/A THR 318.A N THR 266.A O no hydrogen 2.866 N/A VAL 319.A N GLN 336.A O no hydrogen 3.192 N/A CYS 320.A N TYR 264.A O no hydrogen 2.877 N/A CYS 320.A SG ASP 334.A O no hydrogen 3.611 N/A LEU 321.A N ASP 334.A O no hydrogen 3.235 N/A SER 322.A OG ASP 262.A O no hydrogen 3.035 N/A SER 322.A OG LEU 321.A O no hydrogen 2.873 N/A GLN 324.A N MET 260.A O no hydrogen 3.087 N/A LEU 328.A N TYR 325.A O no hydrogen 3.051 N/A VAL 332.A N TYR 323.A O no hydrogen 3.381 N/A GLN 336.A N VAL 319.A O no hydrogen 3.403 N/A VAL 338.A N PHE 317.A O no hydrogen 2.970 N/A VAL 340.A N LEU 315.A O no hydrogen 2.913 N/A LYS 342.A NZ LYS 312.A O no hydrogen 3.489 N/A LEU 344.A N GLU 218.A O no hydrogen 3.094 N/A ILE 345.A N SER 242.A O no hydrogen 3.091 N/A ALA 346.A N PRO 343.A O no hydrogen 2.985 N/A LYS 347.A N LEU 344.A O no hydrogen 3.195 N/A HIS 353.A ND1 HIS 353.A O no hydrogen 2.743 N/A