Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ibi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N ASP 70.A O no hydrogen 3.017 N/A LEU 7.A N ASP 310.A O no hydrogen 2.899 N/A ARG 8.A N VAL 72.A O no hydrogen 2.837 N/A LEU 10.A N THR 13.A OG1 no hydrogen 2.891 N/A GLY 11.A N ASN 9.A OD1 no hydrogen 2.997 N/A ASN 12.A ND2 TYR 91.A O no hydrogen 2.889 N/A THR 13.A N ASN 9.A OD1 no hydrogen 3.254 N/A THR 13.A OG1 ASN 9.A OD1 no hydrogen 3.498 N/A CYS 14.A SG HIS 292.A ND1 no hydrogen 3.967 N/A MET 16.A N THR 13.A O no hydrogen 2.835 N/A ASN 17.A N THR 13.A O no hydrogen 2.876 N/A ASN 17.A ND2 ARG 8.A O no hydrogen 3.659 N/A ASN 17.A ND2 ASP 310.A OD1 no hydrogen 2.623 N/A SER 18.A N CYS 14.A O no hydrogen 2.797 N/A SER 18.A OG SER 282.A OG no hydrogen 2.978 N/A SER 18.A OG THR 294.A O no hydrogen 2.729 N/A LEU 20.A N MET 16.A O no hydrogen 2.884 N/A GLN 21.A N ASN 17.A O no hydrogen 3.016 N/A GLN 21.A N SER 18.A O no hydrogen 3.273 N/A GLN 21.A NE2 ALA 5.A O no hydrogen 3.103 N/A CYS 22.A N SER 18.A O no hydrogen 3.126 N/A CYS 22.A SG SER 18.A O no hydrogen 3.340 N/A LEU 23.A N ILE 19.A O no hydrogen 2.947 N/A SER 24.A N LEU 20.A O no hydrogen 2.795 N/A ASN 25.A N GLN 21.A O no hydrogen 2.987 N/A ASN 25.A ND2 GLN 21.A O no hydrogen 2.825 N/A THR 26.A N LEU 23.A O no hydrogen 3.035 N/A THR 26.A OG1 CYS 22.A O no hydrogen 2.711 N/A THR 26.A OG1 TYR 279.A OH no hydrogen 2.805 N/A ARG 30.A N THR 26.A O no hydrogen 2.775 N/A ARG 30.A NE ASP 31.A OD1 no hydrogen 2.925 N/A ARG 30.A NH2 ASP 31.A OD1 no hydrogen 2.933 N/A ASP 31.A N ARG 27.A O no hydrogen 2.799 N/A TYR 32.A N GLU 28.A O no hydrogen 3.133 N/A TYR 32.A OH ASP 41.A OD2 no hydrogen 2.710 N/A CYS 33.A N LEU 29.A O no hydrogen 3.240 N/A CYS 33.A SG LEU 29.A O no hydrogen 3.440 N/A LEU 34.A N ARG 30.A O no hydrogen 2.796 N/A GLN 35.A N ASP 31.A O no hydrogen 2.839 N/A ARG 36.A N CYS 33.A O no hydrogen 3.346 N/A LEU 37.A N TYR 32.A O no hydrogen 3.180 N/A MET 39.A N ARG 36.A O no hydrogen 3.387 N/A ASP 41.A N TYR 38.A O no hydrogen 3.058 N/A ASN 47.A ND2 HIS 43.A O no hydrogen 3.082 N/A ASN 47.A ND2 THR 50.A OG1 no hydrogen 2.947 N/A LEU 52.A N HIS 49.A O no hydrogen 3.118 N/A GLU 54.A N THR 50.A O no hydrogen 3.453 N/A GLU 55.A N ALA 51.A O no hydrogen 2.796 N/A PHE 56.A N LEU 52.A O no hydrogen 2.927 N/A ALA 57.A N VAL 53.A O no hydrogen 3.015 N/A LYS 58.A N GLU 54.A O no hydrogen 3.004 N/A LEU 59.A N GLU 55.A O no hydrogen 3.106 N/A ILE 60.A N PHE 56.A O no hydrogen 3.088 N/A GLN 61.A N ALA 57.A O no hydrogen 2.951 N/A GLN 61.A NE2 CYS 33.A O no hydrogen 2.669 N/A GLN 61.A NE2 TYR 38.A OH no hydrogen 3.044 N/A THR 62.A N LYS 58.A O no hydrogen 2.811 N/A THR 62.A OG1 LYS 58.A O no hydrogen 2.775 N/A ILE 63.A N LEU 59.A O no hydrogen 2.893 N/A TRP 64.A N ILE 60.A O no hydrogen 2.972 N/A TRP 64.A NE1 SER 24.A O no hydrogen 3.143 N/A TRP 64.A NE1 SER 24.A OG no hydrogen 2.874 N/A THR 65.A N THR 62.A O no hydrogen 3.308 N/A THR 65.A OG1 GLN 61.A O no hydrogen 3.061 N/A SER 66.A OG ILE 63.A O no hydrogen 2.890 N/A SER 67.A N ASP 70.A OD2 no hydrogen 2.570 N/A ASP 70.A N SER 67.A O no hydrogen 2.859 N/A VAL 72.A N GLY 6.A O no hydrogen 2.695 N/A SER 73.A OG SER 75.A OG no hydrogen 3.394 N/A SER 75.A OG SER 73.A OG no hydrogen 3.394 N/A LYS 78.A N PRO 74.A O no hydrogen 2.946 N/A LYS 78.A NZ GLN 82.A OE1 no hydrogen 2.515 N/A LYS 78.A NZ PHE 88.A O no hydrogen 3.336 N/A LYS 78.A NZ GLY 90.A O no hydrogen 2.809 N/A THR 79.A N SER 75.A O no hydrogen 3.187 N/A THR 79.A OG1 SER 75.A O no hydrogen 3.293 N/A GLN 80.A N GLU 76.A O no hydrogen 3.379 N/A ILE 81.A N PHE 77.A O no hydrogen 2.898 N/A GLN 82.A N LYS 78.A O no hydrogen 2.936 N/A ARG 83.A N THR 79.A O no hydrogen 3.301 N/A TYR 84.A N GLN 80.A O no hydrogen 3.166 N/A TYR 84.A OH ASP 105.A OD2 no hydrogen 2.337 N/A ALA 85.A N ILE 81.A O no hydrogen 2.617 N/A ARG 87.A NE GLU 98.A OE2 no hydrogen 3.165 N/A ARG 87.A NH2 GLU 98.A OE2 no hydrogen 3.369 N/A PHE 88.A N ALA 85.A O no hydrogen 2.950 N/A VAL 89.A N PRO 86.A O no hydrogen 2.907 N/A GLN 93.A NE2 ASN 12.A OD1 no hydrogen 3.360 N/A ALA 96.A N TYR 293.A OH no hydrogen 3.153 N/A GLN 97.A NE2 ASP 177.A OD2 no hydrogen 3.150 N/A GLU 98.A N ASP 95.A OD2 no hydrogen 3.039 N/A PHE 99.A N ASP 95.A O no hydrogen 3.140 N/A LEU 100.A N ALA 96.A O no hydrogen 2.859 N/A ARG 101.A N GLN 97.A O no hydrogen 2.943 N/A ARG 101.A NE ASP 177.A OD2 no hydrogen 2.971 N/A PHE 102.A N GLU 98.A O no hydrogen 3.046 N/A LEU 103.A N PHE 99.A O no hydrogen 2.890 N/A LEU 104.A N LEU 100.A O no hydrogen 2.911 N/A ASP 105.A N ARG 101.A O no hydrogen 3.052 N/A GLY 106.A N PHE 102.A O no hydrogen 3.007 N/A LEU 107.A N LEU 103.A O no hydrogen 2.916 N/A HIS 108.A N LEU 104.A O no hydrogen 2.793 N/A HIS 108.A ND1 SER 146.A OG no hydrogen 2.523 N/A HIS 108.A NE2 GLU 144.A OE1 no hydrogen 2.799 N/A ASN 109.A N ASP 105.A O no hydrogen 2.936 N/A GLU 110.A N LEU 107.A O no hydrogen 3.269 N/A VAL 111.A N HIS 108.A O no hydrogen 3.375 N/A ASN 112.A ND2 ARG 143.A O no hydrogen 3.099 N/A ARG 113.A N ASP 145.A O no hydrogen 2.586 N/A ARG 113.A NH1 ASP 145.A OD1 no hydrogen 2.923 N/A ARG 113.A NH1 ASP 150.A OD1 no hydrogen 2.924 N/A ARG 113.A NH1 ASP 150.A OD2 no hydrogen 3.336 N/A ARG 113.A NH2 ASP 150.A OD2 no hydrogen 2.837 N/A VAL 114.A N ASN 112.A OD1 no hydrogen 3.230 N/A ARG 117.A NE ARG 143.A O no hydrogen 3.172 N/A ARG 117.A NH2 ASN 109.A OD1 no hydrogen 3.238 N/A ARG 117.A NH2 GLU 144.A OE1 no hydrogen 2.757 N/A LEU 127.A N LEU 124.A O no hydrogen 2.951 N/A LYS 132.A N PRO 128.A O no hydrogen 2.968 N/A LYS 132.A NZ THR 170.A O no hydrogen 2.813 N/A GLY 133.A N ASP 129.A O no hydrogen 2.840 N/A ARG 134.A N ASP 130.A O no hydrogen 3.244 N/A ARG 134.A NE GLU 131.A OE1 no hydrogen 2.864 N/A ARG 134.A NH2 GLU 131.A OE1 no hydrogen 2.777 N/A GLN 135.A N GLU 131.A O no hydrogen 2.981 N/A MET 136.A N LYS 132.A O no hydrogen 2.794 N/A TRP 137.A N GLY 133.A O no hydrogen 2.817 N/A ARG 138.A N ARG 134.A O no hydrogen 2.911 N/A LYS 139.A N GLN 135.A O no hydrogen 2.931 N/A LYS 139.A NZ ASN 120.A O no hydrogen 3.333 N/A LYS 139.A NZ GLU 122.A OE2 no hydrogen 3.424 N/A TYR 140.A N MET 136.A O no hydrogen 2.846 N/A LEU 141.A N TRP 137.A O no hydrogen 2.824 N/A GLU 142.A N ARG 138.A O no hydrogen 3.185 N/A ARG 143.A N TYR 140.A O no hydrogen 3.024 N/A GLU 144.A N TYR 140.A O no hydrogen 2.890 N/A ASP 145.A N ASN 112.A OD1 no hydrogen 2.793 N/A SER 146.A OG HIS 108.A ND1 no hydrogen 2.523 N/A ARG 147.A NH1 ASP 150.A OD2 no hydrogen 3.538 N/A ARG 147.A NH2 GLU 28.A OE1 no hydrogen 3.080 N/A GLY 149.A N SER 146.A OG no hydrogen 3.391 N/A ASP 150.A N SER 146.A O no hydrogen 2.906 N/A LEU 151.A N ILE 148.A O no hydrogen 3.031 N/A PHE 152.A N ILE 148.A O no hydrogen 3.136 N/A VAL 153.A N GLY 149.A O no hydrogen 3.121 N/A GLY 154.A N PHE 175.A O no hydrogen 2.853 N/A GLN 155.A N ARG 229.A O no hydrogen 2.828 N/A GLN 155.A NE2 GLY 133.A O no hydrogen 3.115 N/A LEU 156.A N ASP 173.A O no hydrogen 2.579 N/A LYS 157.A N SER 226.A O no hydrogen 2.866 N/A LYS 157.A NZ ASP 129.A OD2 no hydrogen 3.216 N/A SER 158.A N VAL 171.A O no hydrogen 2.715 N/A SER 159.A N LYS 224.A O no hydrogen 2.886 N/A LEU 160.A N SER 169.A O no hydrogen 2.856 N/A THR 161.A N ILE 222.A O no hydrogen 2.790 N/A CYS 162.A N TYR 167.A O no hydrogen 2.983 N/A THR 163.A N ARG 220.A O no hydrogen 2.897 N/A THR 163.A OG1 ARG 220.A O no hydrogen 2.599 N/A CYS 168.A SG THR 161.A OG1 no hydrogen 3.641 N/A SER 169.A N LEU 160.A O no hydrogen 2.855 N/A VAL 171.A N SER 158.A O no hydrogen 2.925 N/A ASP 173.A N LEU 156.A O no hydrogen 2.844 N/A PHE 175.A N GLY 154.A O no hydrogen 3.136 N/A TRP 176.A NE1 TYR 140.A OH no hydrogen 3.172 N/A LEU 178.A N VAL 235.A O no hydrogen 2.945 N/A SER 179.A OG HIS 237.A ND1 no hydrogen 2.724 N/A LEU 180.A N HIS 237.A O no hydrogen 2.654 N/A THR 190.A N ASP 193.A OD2 no hydrogen 3.109 N/A LEU 191.A N ASN 256.A O no hydrogen 2.690 N/A ASP 193.A N THR 190.A OG1 no hydrogen 3.104 N/A CYS 194.A N THR 190.A O no hydrogen 3.304 N/A CYS 194.A N LEU 191.A O no hydrogen 2.869 N/A CYS 194.A SG THR 190.A O no hydrogen 3.440 N/A MET 195.A N LEU 191.A O no hydrogen 3.010 N/A ARG 196.A N MET 192.A O no hydrogen 3.024 N/A ARG 196.A NH1 GLU 266.A OE1 no hydrogen 3.177 N/A ARG 196.A NH1 GLU 266.A OE2 no hydrogen 3.468 N/A ARG 196.A NH2 ASP 193.A OD1 no hydrogen 3.096 N/A LEU 197.A N ASP 193.A O no hydrogen 3.167 N/A PHE 198.A N CYS 194.A O no hydrogen 3.091 N/A THR 199.A N MET 195.A O no hydrogen 3.052 N/A THR 199.A OG1 MET 195.A O no hydrogen 2.836 N/A LYS 200.A N LEU 197.A O no hydrogen 3.431 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.677 N/A ASP 202.A N LYS 223.A O no hydrogen 2.756 N/A LEU 204.A N CYS 221.A O no hydrogen 2.817 N/A ALA 208.A N ASP 205.A O no hydrogen 2.922 N/A ALA 209.A N GLY 206.A O no hydrogen 3.217 N/A CYS 212.A N GLY 217.A O no hydrogen 2.773 N/A ARG 214.A NH1 ASP 125.A OD2 no hydrogen 3.398 N/A ARG 216.A N CYS 212.A O no hydrogen 2.628 N/A GLY 217.A N CYS 212.A O no hydrogen 3.301 N/A LYS 219.A N PRO 210.A O no hydrogen 2.973 N/A LYS 219.A NZ ASP 164.A OD1 no hydrogen 2.421 N/A ARG 220.A NH1 ASP 205.A OD2 no hydrogen 3.327 N/A CYS 221.A N LEU 204.A O no hydrogen 3.058 N/A CYS 221.A SG LYS 219.A O no hydrogen 3.743 N/A ILE 222.A N THR 161.A O no hydrogen 2.822 N/A LYS 223.A N ASP 202.A O no hydrogen 2.906 N/A LYS 223.A NZ SER 158.A OG no hydrogen 2.856 N/A LYS 224.A N SER 159.A O no hydrogen 2.937 N/A LYS 224.A NZ THR 199.A O no hydrogen 3.489 N/A LYS 224.A NZ PHE 225.A O no hydrogen 3.435 N/A SER 226.A N LYS 157.A O no hydrogen 2.982 N/A ILE 227.A N PHE 267.A O no hydrogen 2.786 N/A GLN 228.A N GLN 155.A O no hydrogen 2.739 N/A ARG 229.A N GLN 155.A O no hydrogen 3.068 N/A ILE 233.A N LEU 151.A O no hydrogen 2.754 N/A LEU 234.A N TYR 331.A O no hydrogen 2.889 N/A LEU 236.A N LEU 329.A O no hydrogen 2.875 N/A HIS 237.A N LEU 178.A O no hydrogen 2.769 N/A HIS 237.A ND1 SER 179.A OG no hydrogen 2.724 N/A HIS 237.A NE2 TYR 327.A OH no hydrogen 2.753 N/A LEU 238.A N TYR 327.A O no hydrogen 3.013 N/A LYS 239.A N LEU 180.A O no hydrogen 2.838 N/A ARG 240.A NE ALA 326.A O no hydrogen 2.765 N/A ARG 240.A NH1 LEU 251.A O no hydrogen 2.990 N/A ARG 240.A NH1 THR 253.A O no hydrogen 2.802 N/A ARG 240.A NH2 THR 253.A O no hydrogen 3.165 N/A ARG 240.A NH2 ALA 326.A O no hydrogen 3.016 N/A SER 242.A N SER 249.A O no hydrogen 2.787 N/A SER 242.A OG SER 249.A O no hydrogen 3.360 N/A SER 242.A OG SER 249.A OG no hydrogen 3.417 N/A SER 244.A OG ARG 247.A O no hydrogen 2.820 N/A ILE 246.A N SER 244.A OG no hydrogen 3.174 N/A ARG 247.A N SER 244.A OG no hydrogen 2.738 N/A SER 249.A N SER 242.A OG no hydrogen 3.044 N/A SER 249.A OG SER 242.A OG no hydrogen 3.417 N/A LYS 250.A NZ HIS 284.A ND1 no hydrogen 3.095 N/A LEU 251.A N ARG 240.A O no hydrogen 3.044 N/A ASN 256.A N VAL 189.A O no hydrogen 2.880 N/A ASN 256.A ND2 GLU 188.A OE2 no hydrogen 2.565 N/A ASP 261.A N ASN 277.A OD1 no hydrogen 3.027 N/A LEU 262.A N TYR 276.A O no hydrogen 2.877 N/A LEU 264.A N ALA 274.A O no hydrogen 3.077 N/A ARG 265.A N ASP 263.A OD1 no hydrogen 3.262 N/A PHE 267.A N LEU 264.A O no hydrogen 2.914 N/A ALA 268.A N ARG 265.A O no hydrogen 3.175 N/A SER 269.A N ILE 227.A O no hydrogen 3.048 N/A SER 269.A OG GLN 228.A OE1 no hydrogen 2.360 N/A THR 272.A OG1 THR 272.A O no hydrogen 2.535 N/A TYR 276.A N LEU 262.A O no hydrogen 2.932 N/A TYR 276.A OH PRO 231.A O no hydrogen 2.690 N/A ASN 277.A N GLU 332.A O no hydrogen 2.735 N/A LEU 278.A N LEU 259.A O no hydrogen 2.701 N/A TYR 279.A N PHE 330.A O no hydrogen 2.923 N/A TYR 279.A OH THR 26.A OG1 no hydrogen 2.805 N/A ALA 280.A N PHE 330.A O no hydrogen 3.473 N/A VAL 281.A N TYR 296.A O no hydrogen 2.893 N/A SER 282.A N LEU 328.A O no hydrogen 2.840 N/A SER 282.A OG SER 18.A OG no hydrogen 2.978 N/A ASN 283.A N THR 294.A O no hydrogen 2.821 N/A HIS 284.A N ASP 325.A O no hydrogen 2.784 N/A SER 285.A N HIS 292.A O no hydrogen 3.096 N/A THR 287.A N GLY 290.A O no hydrogen 2.769 N/A THR 287.A OG1 GLY 290.A O no hydrogen 3.356 N/A MET 289.A N.A THR 287.A OG1 no hydrogen 2.959 N/A MET 289.A N.B THR 287.A OG1 no hydrogen 2.895 N/A GLY 290.A N THR 287.A OG1 no hydrogen 3.136 N/A GLY 291.A N GLN 93.A OE1 no hydrogen 2.962 N/A HIS 292.A N SER 285.A O no hydrogen 2.788 N/A HIS 292.A NE2 ASN 309.A OD1 no hydrogen 2.901 N/A THR 294.A N ASN 283.A O no hydrogen 3.087 N/A THR 294.A OG1 ASN 283.A OD1 no hydrogen 3.065 N/A ALA 295.A N PHE 308.A O no hydrogen 2.966 N/A TYR 296.A N VAL 281.A O no hydrogen 2.879 N/A CYS 297.A N HIS 306.A O no hydrogen 3.006 N/A ARG 298.A N TYR 279.A O no hydrogen 2.771 N/A ARG 298.A NE LEU 278.A O no hydrogen 3.343 N/A ARG 298.A NH2 LEU 278.A O no hydrogen 3.418 N/A ARG 298.A NH2 GLU 332.A OE2 no hydrogen 2.765 N/A SER 299.A N GLU 304.A O no hydrogen 2.960 N/A THR 302.A N SER 299.A O no hydrogen 2.963 N/A THR 302.A OG1 PRO 300.A O no hydrogen 2.863 N/A HIS 306.A N CYS 297.A O no hydrogen 3.028 N/A THR 307.A N THR 314.A O no hydrogen 2.673 N/A PHE 308.A N ALA 295.A O no hydrogen 2.727 N/A ASN 309.A N SER 312.A O no hydrogen 2.749 N/A SER 312.A N ASN 309.A O no hydrogen 3.113 N/A THR 314.A N THR 307.A O no hydrogen 2.980 N/A THR 314.A OG1 PRO 315.A O no hydrogen 3.352 N/A MET 316.A N TRP 305.A O no hydrogen 3.029 N/A SER 317.A N GLN 320.A OE1 no hydrogen 3.120 N/A SER 317.A OG SER 319.A OG no hydrogen 2.840 N/A SER 319.A OG SER 317.A OG no hydrogen 2.840 N/A GLN 320.A N SER 317.A O no hydrogen 2.893 N/A VAL 321.A N SER 318.A O no hydrogen 3.244 N/A ARG 322.A NH1 PHE 257.A O no hydrogen 3.262 N/A ASP 325.A N THR 323.A OG1 no hydrogen 3.286 N/A TYR 327.A N SER 282.A O no hydrogen 2.943 N/A TYR 327.A OH ASP 95.A OD1 no hydrogen 2.489 N/A LEU 328.A N SER 282.A O no hydrogen 3.162 N/A LEU 329.A N LEU 236.A O no hydrogen 2.937 N/A PHE 330.A N ALA 280.A O no hydrogen 2.717 N/A TYR 331.A N LEU 234.A O no hydrogen 2.907 N/A TYR 331.A OH PRO 258.A O no hydrogen 2.963 N/A GLU 332.A N ASN 277.A O no hydrogen 2.808 N/A LEU 333.A N LYS 232.A O no hydrogen 3.306 N/A ALA 334.A N VAL 275.A O no hydrogen 2.941 N/A