Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iko_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N LEU 151.A O no hydrogen 2.649 N/A THR 4.A N VAL 150.A O no hydrogen 2.730 N/A THR 4.A OG1 VAL 150.A O no hydrogen 3.250 N/A SER 6.A N LEU 176.A O no hydrogen 2.967 N/A VAL 8.A N ILE 174.A O no hydrogen 2.776 N/A LEU 10.A N GLY 172.A O no hydrogen 2.875 N/A THR 11.A N TYR 19.A O no hydrogen 2.703 N/A ASN 12.A ND2 ASP 15.A OD2 no hydrogen 3.014 N/A TYR 13.A N GLN 17.A O no hydrogen 2.826 N/A ASP 15.A N ASN 12.A OD1 no hydrogen 2.774 N/A THR 16.A N TYR 13.A O no hydrogen 2.969 N/A THR 16.A OG1 TYR 13.A O no hydrogen 3.435 N/A GLN 17.A N TYR 13.A O no hydrogen 3.157 N/A GLN 17.A NE2 LEU 119.A O no hydrogen 2.938 N/A TYR 18.A OH ASN 161.A O no hydrogen 2.687 N/A TYR 19.A N THR 11.A O no hydrogen 3.031 N/A GLY 20.A N VAL 33.A O no hydrogen 2.935 N/A ILE 22.A N PHE 31.A O no hydrogen 3.008 N/A GLY 23.A N THR 96.A O no hydrogen 3.085 N/A ILE 24.A N GLN 29.A O no hydrogen 2.818 N/A GLY 25.A N ILE 94.A O no hydrogen 2.927 N/A THR 26.A N SER 67.A OG no hydrogen 3.017 N/A THR 26.A OG1 SER 69.A OG no hydrogen 2.767 N/A GLN 29.A N ILE 24.A O no hydrogen 2.778 N/A GLN 29.A NE2 ASP 63.A O no hydrogen 2.965 N/A PHE 31.A N ILE 22.A O no hydrogen 2.903 N/A LYS 32.A N ASP 123.A OD1 no hydrogen 2.904 N/A VAL 33.A N GLY 20.A O no hydrogen 2.788 N/A VAL 34.A N GLY 124.A O no hydrogen 3.133 N/A ASP 36.A N VAL 126.A O no hydrogen 2.871 N/A THR 37.A N THR 225.A OG1 no hydrogen 2.804 N/A THR 37.A OG1 VAL 223.A O no hydrogen 2.678 N/A THR 37.A OG1 THR 225.A OG1 no hydrogen 3.379 N/A GLY 38.A N ASP 36.A OD2 no hydrogen 2.884 N/A SER 39.A N ASP 36.A O no hydrogen 3.369 N/A SER 39.A OG ASP 36.A OD1 no hydrogen 2.563 N/A SER 40.A OG PHE 130.A O no hydrogen 2.624 N/A ASN 41.A ND2 ILE 135.A O no hydrogen 3.055 N/A TRP 43.A N VAL 125.A O no hydrogen 2.996 N/A VAL 44.A N GLY 107.A O no hydrogen 3.030 N/A SER 46.A N VAL 109.A O no hydrogen 2.850 N/A SER 46.A OG GLU 108.A OE2 no hydrogen 2.665 N/A SER 47.A N PHE 62.A O no hydrogen 2.769 N/A SER 47.A OG PHE 62.A O no hydrogen 3.118 N/A LYS 48.A N SER 46.A OG no hydrogen 3.069 N/A CYS 49.A N SER 46.A O no hydrogen 2.944 N/A CYS 49.A SG SER 50.A O no hydrogen 3.554 N/A CYS 49.A SG THR 110.A O no hydrogen 3.398 N/A ARG 51.A NH2 SER 47.A O no hydrogen 2.977 N/A ARG 51.A NH2 CYS 49.A O no hydrogen 2.920 N/A LEU 52.A N SER 50.A OG no hydrogen 3.206 N/A TYR 53.A N SER 50.A O no hydrogen 2.884 N/A CYS 56.A N TYR 53.A O no hydrogen 2.896 N/A VAL 57.A N THR 54.A O no hydrogen 2.913 N/A TYR 58.A N THR 54.A O no hydrogen 3.175 N/A HIS 59.A ND1 ALA 55.A O no hydrogen 2.659 N/A HIS 59.A NE2 ALA 120.A O no hydrogen 2.737 N/A LYS 60.A N ASP 123.A OD2 no hydrogen 2.952 N/A LYS 60.A NZ THR 30.A O no hydrogen 2.780 N/A LYS 60.A NZ THR 30.A OG1 no hydrogen 3.210 N/A PHE 62.A N PRO 45.A O no hydrogen 2.763 N/A ASP 63.A N GLN 29.A OE1 no hydrogen 2.848 N/A SER 65.A N ASP 63.A OD1 no hydrogen 3.017 N/A ASP 66.A N ASP 63.A O no hydrogen 2.977 N/A SER 67.A N ALA 64.A O no hydrogen 2.982 N/A SER 67.A OG ASP 93.A OD1 no hydrogen 3.497 N/A SER 67.A OG ASP 93.A OD2 no hydrogen 2.618 N/A SER 68.A N THR 26.A O no hydrogen 3.073 N/A SER 68.A OG THR 26.A O no hydrogen 3.529 N/A SER 69.A OG THR 26.A OG1 no hydrogen 2.767 N/A SER 69.A OG SER 67.A OG no hydrogen 3.253 N/A SER 69.A OG ASP 93.A OD1 no hydrogen 2.592 N/A LYS 71.A N GLN 92.A O no hydrogen 2.881 N/A GLY 74.A N LEU 90.A O no hydrogen 2.905 N/A THR 75.A N ASN 73.A OD1 no hydrogen 3.109 N/A THR 75.A OG1 ASN 73.A OD1 no hydrogen 2.694 N/A LEU 77.A N GLY 88.A O no hydrogen 2.844 N/A THR 78.A OG1 SER 87.A OG no hydrogen 2.987 N/A LEU 79.A N VAL 86.A O no hydrogen 2.841 N/A TYR 81.A N GLY 84.A O no hydrogen 2.753 N/A GLY 84.A N TYR 81.A O no hydrogen 3.355 N/A VAL 86.A N LEU 79.A O no hydrogen 3.004 N/A SER 87.A N GLU 111.A O no hydrogen 3.122 N/A SER 87.A OG LEU 77.A O no hydrogen 3.288 N/A SER 87.A OG THR 78.A OG1 no hydrogen 2.987 N/A GLY 88.A N LEU 77.A O no hydrogen 2.823 N/A PHE 89.A N GLU 108.A O no hydrogen 2.993 N/A LEU 90.A N THR 75.A O no hydrogen 2.827 N/A SER 91.A N PHE 106.A O no hydrogen 2.821 N/A SER 91.A OG GLU 108.A OE1 no hydrogen 2.682 N/A GLN 92.A N LYS 71.A O no hydrogen 2.997 N/A ASP 93.A N GLN 104.A O no hydrogen 3.130 N/A ILE 94.A N ASP 93.A OD1 no hydrogen 2.613 N/A ILE 95.A N VAL 102.A O no hydrogen 2.759 N/A THR 96.A N GLY 23.A O no hydrogen 2.793 N/A THR 96.A OG1 GLY 23.A O no hydrogen 3.491 N/A VAL 97.A N ILE 100.A O no hydrogen 2.873 N/A ILE 100.A N VAL 97.A O no hydrogen 2.960 N/A VAL 102.A N ILE 95.A O no hydrogen 2.850 N/A GLN 104.A N ASP 93.A O no hydrogen 2.996 N/A GLN 104.A NE2 MET 105.A O no hydrogen 3.046 N/A GLN 104.A NE2 THR 139.A O no hydrogen 2.871 N/A PHE 106.A N SER 91.A O no hydrogen 2.826 N/A GLY 107.A N VAL 42.A O no hydrogen 2.726 N/A GLU 108.A N PHE 89.A O no hydrogen 2.701 N/A VAL 109.A N VAL 44.A O no hydrogen 2.920 N/A THR 110.A N SER 87.A O no hydrogen 2.876 N/A GLU 111.A N SER 87.A O no hydrogen 3.030 N/A PHE 117.A N PRO 113.A O no hydrogen 3.024 N/A MET 118.A N ALA 114.A O no hydrogen 2.729 N/A LEU 119.A N PRO 116.A O no hydrogen 2.831 N/A ALA 120.A N PHE 117.A O no hydrogen 3.167 N/A GLU 121.A N GLN 17.A OE1 no hydrogen 2.721 N/A ASP 123.A N LYS 32.A O no hydrogen 2.688 N/A GLY 124.A N LYS 32.A O no hydrogen 3.065 N/A VAL 125.A N TRP 43.A O no hydrogen 3.002 N/A VAL 126.A N VAL 34.A O no hydrogen 2.804 N/A GLY 127.A N ASN 41.A O no hydrogen 2.949 N/A MET 128.A N ASP 36.A O no hydrogen 2.709 N/A GLY 129.A N SER 39.A O no hydrogen 2.722 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.753 N/A GLN 133.A N PHE 130.A O no hydrogen 2.997 N/A ALA 134.A N ILE 131.A O no hydrogen 2.943 N/A ILE 135.A N ASN 41.A OD1 no hydrogen 2.808 N/A ARG 137.A N ALA 134.A O no hydrogen 3.208 N/A ASN 144.A N PRO 140.A O no hydrogen 3.144 N/A ILE 145.A N ILE 141.A O no hydrogen 2.862 N/A ILE 146.A N PHE 142.A O no hydrogen 2.754 N/A SER 147.A N ASP 143.A O no hydrogen 2.948 N/A SER 147.A OG ASP 143.A O no hydrogen 3.032 N/A GLN 148.A N ILE 145.A O no hydrogen 3.013 N/A GLN 148.A NE2 THR 101.A O no hydrogen 2.894 N/A GLY 149.A N ILE 146.A O no hydrogen 3.075 N/A LYS 152.A N THR 4.A O no hydrogen 2.894 N/A GLU 153.A N GLY 177.A O no hydrogen 3.228 N/A PHE 156.A N PHE 325.A O no hydrogen 3.004 N/A SER 157.A N VAL 175.A O no hydrogen 2.881 N/A SER 157.A OG GLY 178.A O no hydrogen 2.721 N/A SER 157.A OG SER 179.A OG no hydrogen 2.228 N/A PHE 158.A N THR 323.A O no hydrogen 2.763 N/A TYR 159.A N GLN 173.A O no hydrogen 2.784 N/A TYR 160.A OH THR 225.A O no hydrogen 2.691 N/A ASN 161.A N GLY 171.A O no hydrogen 2.928 N/A ASN 161.A ND2 LEU 170.A O no hydrogen 2.743 N/A SER 164.A N ASP 163.A OD2 no hydrogen 2.782 N/A ASN 166.A N SER 164.A OG no hydrogen 3.109 N/A GLN 173.A N TYR 159.A O no hydrogen 2.893 N/A GLN 173.A NE2 ASP 180.A OD2 no hydrogen 3.161 N/A ILE 174.A N VAL 8.A O no hydrogen 3.046 N/A VAL 175.A N SER 157.A O no hydrogen 2.938 N/A LEU 176.A N SER 6.A O no hydrogen 2.605 N/A GLY 177.A N VAL 155.A O no hydrogen 2.764 N/A SER 179.A OG SER 157.A OG no hydrogen 2.228 N/A SER 179.A OG GLU 324.A OE2 no hydrogen 2.888 N/A ASP 180.A N TYR 322.A OH no hydrogen 2.795 N/A GLN 182.A N ASP 180.A OD1 no hydrogen 2.966 N/A HIS 183.A N ASP 180.A O no hydrogen 2.938 N/A GLU 185.A N LEU 336.A O no hydrogen 2.942 N/A HIS 189.A N PHE 334.A O no hydrogen 2.946 N/A TYR 190.A OH GLU 324.A OE1 no hydrogen 2.825 N/A ILE 191.A N ILE 332.A O no hydrogen 2.830 N/A LEU 193.A N ASN 330.A O no hydrogen 2.951 N/A ILE 194.A N GLN 200.A O no hydrogen 3.109 N/A THR 196.A OG1 ASN 330.A OD1 no hydrogen 2.948 N/A TRP 199.A NE1 MET 128.A O no hydrogen 2.956 N/A GLN 200.A NE2 THR 307.A O no hydrogen 2.853 N/A GLN 200.A NE2 THR 310.A OG1 no hydrogen 3.012 N/A ILE 201.A N ALA 221.A O no hydrogen 2.944 N/A GLN 202.A NE2 MET 203.A O no hydrogen 3.378 N/A MET 203.A N CYS 219.A O no hydrogen 2.802 N/A LYS 204.A N HIS 269.A O no hydrogen 2.817 N/A VAL 206.A N LEU 214.A O no hydrogen 3.165 N/A SER 207.A N SER 267.A O no hydrogen 3.012 N/A VAL 208.A N SER 211.A O no hydrogen 3.030 N/A GLY 209.A N ASP 265.A O no hydrogen 2.806 N/A SER 211.A OG VAL 208.A O no hydrogen 3.469 N/A LEU 213.A N SER 211.A O no hydrogen 2.724 N/A LEU 214.A N VAL 206.A O no hydrogen 3.212 N/A CYS 215.A SG MET 203.A O no hydrogen 3.410 N/A GLY 218.A N CYS 215.A O no hydrogen 3.105 N/A CYS 219.A N MET 203.A O no hydrogen 2.847 N/A CYS 219.A SG MET 203.A O no hydrogen 3.810 N/A ALA 221.A N ILE 201.A O no hydrogen 2.928 N/A LEU 222.A N TRP 311.A O no hydrogen 2.807 N/A VAL 223.A N TRP 199.A O no hydrogen 2.893 N/A ASP 224.A N LEU 313.A O no hydrogen 2.969 N/A THR 225.A N THR 37.A OG1 no hydrogen 2.866 N/A THR 225.A OG1 PHE 35.A O no hydrogen 2.673 N/A THR 225.A OG1 THR 37.A OG1 no hydrogen 3.379 N/A GLY 226.A N ASP 224.A OD2 no hydrogen 2.931 N/A ALA 227.A N ASP 224.A O no hydrogen 3.148 N/A SER 228.A OG THR 16.A O no hydrogen 2.586 N/A ILE 230.A N ALA 297.A O no hydrogen 3.253 N/A SER 231.A N ALA 312.A O no hydrogen 2.902 N/A GLY 232.A N HIS 299.A O no hydrogen 3.295 N/A SER 233.A OG SER 236.A OG no hydrogen 2.951 N/A THR 234.A N ASP 302.A OD2 no hydrogen 2.921 N/A THR 234.A OG1 ASP 302.A OD1 no hydrogen 2.485 N/A SER 236.A N SER 233.A OG no hydrogen 3.211 N/A SER 236.A OG SER 233.A OG no hydrogen 2.951 N/A ILE 237.A N SER 233.A O no hydrogen 2.892 N/A GLU 238.A N THR 234.A O no hydrogen 2.899 N/A LYS 239.A N SER 235.A O no hydrogen 3.355 N/A LYS 239.A NZ LEU 213.A O no hydrogen 2.316 N/A LEU 240.A N SER 236.A O no hydrogen 2.912 N/A MET 241.A N ILE 237.A O no hydrogen 2.815 N/A GLU 242.A N GLU 238.A O no hydrogen 2.934 N/A ALA 243.A N LYS 239.A O no hydrogen 3.200 N/A LEU 244.A N LEU 240.A O no hydrogen 3.183 N/A GLY 245.A N GLU 242.A O no hydrogen 3.087 N/A ALA 246.A N MET 241.A O no hydrogen 2.910 N/A LYS 247.A N VAL 254.A O no hydrogen 2.774 N/A LYS 248.A NZ ARG 249.A O no hydrogen 2.784 N/A ARG 249.A N ASP 252.A O no hydrogen 2.734 N/A ARG 249.A NE ASP 252.A OD1 no hydrogen 2.986 N/A ARG 249.A NH1 ASP 252.A OD1 no hydrogen 3.543 N/A ARG 249.A NH1 ASP 252.A OD2 no hydrogen 2.961 N/A VAL 254.A N LYS 247.A O no hydrogen 2.960 N/A VAL 255.A N CYS 294.A O no hydrogen 2.970 N/A CYS 257.A N LYS 292.A O no hydrogen 2.887 N/A ASN 258.A N SER 289.A O no hydrogen 3.325 N/A GLU 259.A N LYS 256.A O no hydrogen 2.949 N/A GLY 260.A N CYS 257.A O no hydrogen 3.176 N/A THR 262.A OG1 GLU 259.A O no hydrogen 3.423 N/A LEU 263.A N GLY 260.A O no hydrogen 3.197 N/A ILE 266.A N LEU 277.A O no hydrogen 2.856 N/A SER 267.A N SER 207.A O no hydrogen 2.904 N/A SER 267.A OG THR 276.A OG1 no hydrogen 2.733 N/A PHE 268.A N TYR 275.A O no hydrogen 2.801 N/A HIS 269.A N GLY 205.A O no hydrogen 2.900 N/A LEU 270.A N LYS 273.A O no hydrogen 2.961 N/A LYS 273.A N LEU 270.A O no hydrogen 3.151 N/A TYR 275.A N PHE 268.A O no hydrogen 2.861 N/A THR 276.A OG1 SER 267.A OG no hydrogen 2.733 N/A LEU 277.A N ILE 266.A O no hydrogen 2.785 N/A THR 278.A N ASP 281.A OD2 no hydrogen 2.867 N/A THR 278.A OG1 ASP 281.A OD2 no hydrogen 3.212 N/A SER 279.A OG GLY 260.A O no hydrogen 3.342 N/A SER 279.A OG PRO 261.A O no hydrogen 3.157 N/A SER 279.A OG LEU 263.A O no hydrogen 3.547 N/A ASP 281.A N THR 278.A O no hydrogen 2.832 N/A TYR 282.A N SER 279.A O no hydrogen 3.113 N/A TYR 282.A OH PRO 264.A O no hydrogen 2.591 N/A VAL 283.A N SER 279.A O no hydrogen 2.769 N/A PHE 284.A N THR 295.A O no hydrogen 2.853 N/A GLN 285.A NE2 CYS 257.A O no hydrogen 2.856 N/A GLN 285.A NE2 SER 287.A O no hydrogen 2.693 N/A SER 289.A N SER 287.A OG no hydrogen 3.020 N/A LYS 291.A N SER 289.A OG no hydrogen 3.015 N/A LYS 292.A N SER 289.A O no hydrogen 3.385 N/A CYS 294.A N VAL 255.A O no hydrogen 2.685 N/A CYS 294.A SG PHE 284.A O no hydrogen 3.529 N/A CYS 294.A SG SER 287.A O no hydrogen 4.025 N/A THR 295.A OG1 ASP 252.A OD2 no hydrogen 3.030 N/A LEU 296.A N TYR 253.A O no hydrogen 3.033 N/A ALA 297.A N TYR 282.A O no hydrogen 2.747 N/A HIS 299.A N ILE 230.A O no hydrogen 2.932 N/A MET 301.A N GLY 232.A O no hydrogen 2.796 N/A GLY 308.A N PRO 304.A O no hydrogen 3.201 N/A THR 310.A OG1 TRP 311.A O no hydrogen 2.677 N/A TRP 311.A N LEU 220.A O no hydrogen 2.850 N/A ALA 312.A N SER 231.A O no hydrogen 2.866 N/A LEU 313.A N LEU 222.A O no hydrogen 2.617 N/A ALA 315.A N ALA 227.A O no hydrogen 2.830 N/A THR 316.A N SER 228.A O no hydrogen 3.325 N/A THR 316.A OG1 SER 228.A O no hydrogen 3.307 N/A THR 316.A OG1 ALA 297.A O no hydrogen 2.870 N/A PHE 317.A N GLY 314.A O no hydrogen 2.898 N/A ILE 318.A N GLY 314.A O no hydrogen 3.041 N/A ARG 319.A N ALA 315.A O no hydrogen 2.878 N/A ARG 319.A NH2 ASP 15.A O no hydrogen 2.868 N/A ARG 319.A NH2 TYR 18.A OH no hydrogen 2.952 N/A LYS 320.A N PHE 317.A O no hydrogen 3.022 N/A LYS 320.A NZ THR 276.A O no hydrogen 2.842 N/A PHE 321.A N PHE 317.A O no hydrogen 3.007 N/A THR 323.A N PHE 158.A O no hydrogen 3.265 N/A THR 323.A OG1 PHE 321.A O no hydrogen 2.885 N/A GLU 324.A N GLY 333.A O no hydrogen 2.931 N/A PHE 325.A N PHE 156.A O no hydrogen 2.741 N/A ASP 326.A N ARG 331.A O no hydrogen 2.867 N/A ARG 327.A N ASP 154.A O no hydrogen 2.973 N/A ARG 328.A N ASP 154.A O no hydrogen 3.305 N/A ASN 329.A N ASP 326.A OD2 no hydrogen 2.970 N/A ARG 331.A N ASP 326.A O no hydrogen 3.096 N/A ARG 331.A NE ASP 326.A OD1 no hydrogen 3.066 N/A ILE 332.A N ILE 191.A O no hydrogen 2.945 N/A GLY 333.A N GLU 324.A O no hydrogen 2.836 N/A PHE 334.A N HIS 189.A O no hydrogen 2.914 N/A ALA 335.A N TYR 322.A O no hydrogen 2.867 N/A ALA 337.A N LYS 320.A O no hydrogen 2.948 N/A ARG 338.A N HIS 183.A O no hydrogen 3.023 N/A ARG 338.A NE TYR 184.A O no hydrogen 3.276 N/A