Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLY 148.A O no hydrogen 3.417 N/A THR 3.A N VAL 149.A O no hydrogen 2.954 N/A SER 5.A N LEU 170.A O no hydrogen 2.884 N/A SER 5.A OG VAL 96.A O no hydrogen 2.943 N/A VAL 7.A N ILE 168.A O no hydrogen 2.869 N/A LEU 9.A N GLY 166.A O no hydrogen 2.840 N/A THR 10.A N TYR 18.A O.A no hydrogen 2.798 N/A THR 10.A N TYR 18.A O.B no hydrogen 2.731 N/A ASN 11.A ND2 ASP 14.A OD1 no hydrogen 3.098 N/A TYR 12.A N GLN 16.A O no hydrogen 2.818 N/A ASP 14.A N ASN 11.A OD1 no hydrogen 2.800 N/A THR 15.A N TYR 12.A O no hydrogen 2.977 N/A THR 15.A OG1 TYR 12.A O no hydrogen 3.390 N/A GLN 16.A N TYR 12.A O no hydrogen 3.152 N/A GLN 16.A NE2 LEU 118.A O no hydrogen 3.045 N/A TYR 17.A OH ASN 160.A O no hydrogen 2.759 N/A TYR 18.A N.A THR 10.A O no hydrogen 3.081 N/A TYR 18.A N.B THR 10.A O no hydrogen 3.068 N/A GLY 19.A N VAL 32.A O no hydrogen 2.944 N/A ILE 21.A N PHE 30.A O no hydrogen 2.957 N/A GLY 22.A N THR 95.A O no hydrogen 3.045 N/A ILE 23.A N GLN 28.A O no hydrogen 2.768 N/A GLY 24.A N ILE 93.A O no hydrogen 2.864 N/A THR 25.A N SER 66.A OG no hydrogen 3.102 N/A THR 25.A OG1 SER 68.A OG no hydrogen 2.803 N/A GLN 28.A N ILE 23.A O no hydrogen 2.796 N/A GLN 28.A NE2 ASP 62.A O no hydrogen 2.930 N/A PHE 30.A N ILE 21.A O no hydrogen 2.913 N/A LYS 31.A N ASP 122.A OD2 no hydrogen 2.932 N/A LYS 31.A NZ GLU 120.A O no hydrogen 3.018 N/A LYS 31.A NZ ASP 122.A OD2 no hydrogen 2.870 N/A VAL 32.A N GLY 19.A O no hydrogen 2.783 N/A VAL 33.A N GLY 123.A O no hydrogen 3.147 N/A ASP 35.A N VAL 125.A O no hydrogen 2.873 N/A THR 36.A N THR 219.A OG1 no hydrogen 2.853 N/A THR 36.A OG1 VAL 217.A O no hydrogen 2.711 N/A THR 36.A OG1 THR 219.A OG1 no hydrogen 3.297 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 3.084 N/A SER 38.A N ASP 35.A O no hydrogen 3.383 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.626 N/A SER 39.A OG PHE 129.A O no hydrogen 2.710 N/A ASN 40.A ND2 ILE 134.A O no hydrogen 3.145 N/A TRP 42.A N VAL 124.A O no hydrogen 2.905 N/A VAL 43.A N GLY 106.A O no hydrogen 3.006 N/A SER 45.A N VAL 108.A O no hydrogen 2.809 N/A SER 45.A OG GLU 107.A OE1 no hydrogen 2.778 N/A SER 46.A N PHE 61.A O no hydrogen 2.895 N/A SER 46.A OG PHE 61.A O no hydrogen 3.287 N/A LYS 47.A N SER 45.A OG no hydrogen 2.936 N/A CYS 48.A N SER 45.A O no hydrogen 2.915 N/A CYS 48.A SG SER 49.A O no hydrogen 3.903 N/A CYS 48.A SG THR 109.A O no hydrogen 3.445 N/A LEU 51.A N SER 49.A OG no hydrogen 3.031 N/A TYR 52.A N SER 49.A O no hydrogen 3.094 N/A CYS 55.A N TYR 52.A O no hydrogen 2.983 N/A VAL 56.A N TYR 52.A O no hydrogen 2.902 N/A HIS 58.A N CYS 55.A O no hydrogen 3.037 N/A HIS 58.A ND1 ALA 54.A O no hydrogen 2.682 N/A HIS 58.A NE2 ALA 119.A O no hydrogen 2.797 N/A LYS 59.A N ASP 122.A OD1 no hydrogen 3.003 N/A PHE 61.A N PRO 44.A O no hydrogen 2.807 N/A ASP 62.A N GLN 28.A OE1 no hydrogen 2.866 N/A SER 64.A N.A ASP 62.A OD1 no hydrogen 3.008 N/A SER 64.A N.B ASP 62.A OD1 no hydrogen 3.003 N/A SER 64.A OG.A ASP 62.A OD1 no hydrogen 2.353 N/A ASP 65.A N ASP 62.A O no hydrogen 2.992 N/A SER 66.A N ALA 63.A O no hydrogen 3.014 N/A SER 66.A OG ASP 92.A OD1 no hydrogen 3.510 N/A SER 66.A OG ASP 92.A OD2 no hydrogen 2.588 N/A SER 67.A N THR 25.A O no hydrogen 2.961 N/A SER 68.A N SER 66.A OG no hydrogen 3.337 N/A SER 68.A OG THR 25.A OG1 no hydrogen 2.803 N/A SER 68.A OG SER 66.A OG no hydrogen 3.246 N/A SER 68.A OG ASP 92.A OD1 no hydrogen 2.489 N/A LYS 70.A N GLN 91.A O no hydrogen 2.920 N/A GLY 73.A N LEU 89.A O no hydrogen 2.758 N/A THR 74.A N ASN 72.A OD1 no hydrogen 3.021 N/A THR 74.A OG1 ASN 72.A OD1 no hydrogen 2.874 N/A LEU 76.A N GLY 87.A O no hydrogen 2.994 N/A LEU 78.A N VAL 85.A O no hydrogen 2.791 N/A TYR 80.A N LEU 78.A O no hydrogen 2.975 N/A THR 82.A OG1 LEU 114.A O no hydrogen 2.621 N/A GLY 83.A N TYR 80.A O no hydrogen 3.147 N/A VAL 85.A N LEU 78.A O no hydrogen 2.931 N/A SER 86.A N GLU 110.A O no hydrogen 3.057 N/A SER 86.A OG GLU 110.A OE1 no hydrogen 2.430 N/A GLY 87.A N LEU 76.A O no hydrogen 2.941 N/A PHE 88.A N GLU 107.A O no hydrogen 2.986 N/A LEU 89.A N THR 74.A O no hydrogen 2.827 N/A SER 90.A N PHE 105.A O no hydrogen 2.890 N/A SER 90.A OG GLU 107.A OE2 no hydrogen 2.744 N/A GLN 91.A N LYS 70.A O no hydrogen 3.015 N/A ASP 92.A N GLN 103.A O no hydrogen 3.076 N/A ILE 93.A N ASP 92.A OD1 no hydrogen 2.711 N/A ILE 94.A N VAL 101.A O no hydrogen 2.789 N/A THR 95.A N GLY 22.A O no hydrogen 2.816 N/A THR 95.A OG1 GLY 22.A O no hydrogen 3.560 N/A VAL 96.A N ILE 99.A O no hydrogen 2.875 N/A GLY 98.A N SER 5.A OG no hydrogen 2.798 N/A ILE 99.A N VAL 96.A O no hydrogen 3.058 N/A VAL 101.A N ILE 94.A O no hydrogen 2.818 N/A GLN 103.A N ASP 92.A O no hydrogen 2.894 N/A GLN 103.A NE2 MET 104.A O no hydrogen 2.826 N/A GLN 103.A NE2 THR 138.A O no hydrogen 2.950 N/A PHE 105.A N SER 90.A O no hydrogen 2.777 N/A GLY 106.A N VAL 41.A O no hydrogen 2.811 N/A GLU 107.A N PHE 88.A O no hydrogen 2.827 N/A VAL 108.A N VAL 43.A O no hydrogen 2.884 N/A THR 109.A N SER 86.A O no hydrogen 2.966 N/A THR 109.A OG1 SER 86.A O no hydrogen 3.484 N/A GLU 110.A N SER 86.A O no hydrogen 3.326 N/A MET 117.A N ALA 113.A O no hydrogen 2.742 N/A LEU 118.A N PRO 115.A O no hydrogen 2.898 N/A ALA 119.A N PHE 116.A O no hydrogen 3.224 N/A GLU 120.A N GLN 16.A OE1 no hydrogen 2.791 N/A ASP 122.A N LYS 31.A O no hydrogen 2.693 N/A GLY 123.A N LYS 31.A O no hydrogen 3.032 N/A VAL 124.A N TRP 42.A O no hydrogen 2.924 N/A VAL 125.A N VAL 33.A O no hydrogen 2.811 N/A GLY 126.A N ASN 40.A O no hydrogen 2.855 N/A MET 127.A N ASP 35.A O no hydrogen 2.765 N/A GLY 128.A N SER 38.A O no hydrogen 2.814 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.860 N/A GLN 132.A N PHE 129.A O no hydrogen 3.038 N/A ALA 133.A N ILE 130.A O no hydrogen 2.960 N/A ILE 134.A N ASN 40.A OD1 no hydrogen 2.791 N/A ARG 136.A N ALA 133.A O no hydrogen 2.958 N/A ASN 143.A N PRO 139.A O no hydrogen 3.099 N/A ASN 143.A ND2 GLN 103.A OE1 no hydrogen 2.843 N/A ILE 144.A N ILE 140.A O no hydrogen 2.909 N/A ILE 145.A N PHE 141.A O no hydrogen 2.882 N/A SER 146.A N ASP 142.A O no hydrogen 3.054 N/A SER 146.A OG ASP 142.A O no hydrogen 3.178 N/A GLN 147.A N ILE 144.A O no hydrogen 3.047 N/A GLY 148.A N ILE 145.A O no hydrogen 3.114 N/A LYS 151.A N THR 3.A O no hydrogen 2.874 N/A GLU 152.A N GLY 171.A O no hydrogen 3.209 N/A PHE 155.A N PHE 319.A O no hydrogen 2.996 N/A SER 156.A N VAL 169.A O no hydrogen 2.859 N/A SER 156.A OG GLY 172.A O no hydrogen 2.916 N/A PHE 157.A N THR 317.A O no hydrogen 2.783 N/A TYR 158.A N GLN 167.A O no hydrogen 2.884 N/A TYR 158.A OH ARG 332.A O no hydrogen 3.407 N/A TYR 159.A OH THR 219.A O no hydrogen 2.592 N/A ASN 160.A N GLY 165.A O no hydrogen 2.894 N/A ASN 160.A ND2 LEU 164.A O no hydrogen 2.862 N/A ARG 161.A N ASN 160.A OD1 no hydrogen 2.772 N/A ARG 161.A NH1 ARG 313.A O no hydrogen 3.500 N/A GLN 167.A N TYR 158.A O no hydrogen 2.806 N/A GLN 167.A NE2 ASP 174.A OD2 no hydrogen 3.157 N/A ILE 168.A N VAL 7.A O no hydrogen 2.977 N/A VAL 169.A N SER 156.A O no hydrogen 2.857 N/A LEU 170.A N SER 5.A O no hydrogen 2.627 N/A GLY 171.A N VAL 154.A O no hydrogen 2.800 N/A SER 173.A OG TYR 178.A OH no hydrogen 3.062 N/A ASP 174.A N TYR 316.A OH no hydrogen 2.868 N/A GLN 176.A N ASP 174.A OD1 no hydrogen 3.026 N/A HIS 177.A N ASP 174.A O no hydrogen 2.959 N/A TYR 178.A N PRO 175.A O no hydrogen 3.416 N/A TYR 178.A OH SER 173.A OG no hydrogen 3.062 N/A GLU 179.A N LEU 330.A O.A no hydrogen 2.866 N/A GLU 179.A N LEU 330.A O.B no hydrogen 2.887 N/A HIS 183.A N PHE 328.A O no hydrogen 2.986 N/A TYR 184.A OH GLU 318.A OE1 no hydrogen 3.143 N/A ILE 185.A N ILE 326.A O no hydrogen 2.895 N/A LEU 187.A N ASN 324.A O no hydrogen 3.045 N/A ILE 188.A N GLN 194.A O no hydrogen 3.107 N/A THR 190.A OG1 ASN 324.A OD1 no hydrogen 3.060 N/A TRP 193.A NE1 MET 127.A O no hydrogen 2.903 N/A GLN 194.A N VAL 192.A O no hydrogen 2.797 N/A ILE 195.A N ALA 215.A O no hydrogen 2.802 N/A GLN 196.A NE2 MET 197.A O no hydrogen 3.691 N/A MET 197.A N CYS 213.A O no hydrogen 2.916 N/A LYS 198.A N HIS 263.A O no hydrogen 2.952 N/A LYS 198.A NZ GLY 265.A O no hydrogen 2.583 N/A VAL 200.A N LEU 208.A O no hydrogen 2.871 N/A SER 201.A N SER 261.A O no hydrogen 2.811 N/A SER 201.A OG THR 206.A OG1 no hydrogen 3.388 N/A VAL 202.A N SER 205.A O no hydrogen 3.114 N/A GLY 203.A N ASP 259.A O no hydrogen 2.933 N/A SER 205.A N VAL 202.A O no hydrogen 3.301 N/A THR 206.A OG1 SER 201.A OG no hydrogen 3.388 N/A LEU 207.A N VAL 200.A O no hydrogen 3.014 N/A LEU 208.A N VAL 200.A O no hydrogen 2.953 N/A CYS 209.A SG MET 197.A O no hydrogen 3.344 N/A CYS 209.A SG CYS 209.A O no hydrogen 2.795 N/A GLY 212.A N CYS 209.A O no hydrogen 3.121 N/A CYS 213.A N MET 197.A O no hydrogen 3.039 N/A CYS 213.A SG MET 197.A O no hydrogen 3.777 N/A ALA 215.A N ILE 195.A O no hydrogen 2.795 N/A LEU 216.A N TRP 305.A O no hydrogen 2.864 N/A VAL 217.A N TRP 193.A O no hydrogen 2.960 N/A ASP 218.A N LEU 307.A O no hydrogen 2.944 N/A THR 219.A N THR 36.A OG1 no hydrogen 2.823 N/A THR 219.A OG1 PHE 34.A O no hydrogen 2.678 N/A THR 219.A OG1 THR 36.A OG1 no hydrogen 3.297 N/A GLY 220.A N ASP 218.A OD1 no hydrogen 2.952 N/A ALA 221.A N ASP 218.A O no hydrogen 3.139 N/A SER 222.A OG THR 15.A O no hydrogen 2.671 N/A ILE 224.A N ALA 291.A O no hydrogen 3.259 N/A SER 225.A N ALA 306.A O no hydrogen 2.892 N/A GLY 226.A N HIS 293.A O no hydrogen 3.233 N/A SER 227.A OG SER 229.A OG no hydrogen 3.280 N/A SER 227.A OG SER 230.A OG no hydrogen 2.981 N/A THR 228.A N ASP 296.A OD1 no hydrogen 2.903 N/A THR 228.A OG1 ASP 296.A OD1 no hydrogen 3.481 N/A THR 228.A OG1 ASP 296.A OD2 no hydrogen 2.493 N/A SER 229.A OG SER 227.A OG no hydrogen 3.280 N/A SER 230.A N SER 227.A OG no hydrogen 3.127 N/A SER 230.A OG SER 227.A OG no hydrogen 2.981 N/A ILE 231.A N SER 227.A O no hydrogen 2.962 N/A GLU 232.A N THR 228.A O no hydrogen 2.953 N/A LYS 233.A N SER 229.A O no hydrogen 3.283 N/A LEU 234.A N SER 230.A O no hydrogen 2.971 N/A MET 235.A N ILE 231.A O no hydrogen 2.891 N/A GLU 236.A N GLU 232.A O no hydrogen 3.018 N/A ALA 237.A N LYS 233.A O no hydrogen 3.051 N/A LEU 238.A N LEU 234.A O no hydrogen 3.054 N/A GLY 239.A N GLU 236.A O no hydrogen 3.144 N/A ALA 240.A N MET 235.A O no hydrogen 2.870 N/A LYS 241.A N VAL 248.A O no hydrogen 2.662 N/A LYS 242.A NZ ARG 243.A O no hydrogen 3.118 N/A ARG 243.A N ASP 246.A O no hydrogen 2.779 N/A VAL 248.A N LYS 241.A O no hydrogen 2.751 N/A VAL 249.A N CYS 288.A O no hydrogen 2.917 N/A LYS 250.A NZ SER 284.A O no hydrogen 3.021 N/A CYS 251.A N LYS 286.A O no hydrogen 2.882 N/A GLU 253.A N LYS 250.A O no hydrogen 2.749 N/A GLY 254.A N CYS 251.A O no hydrogen 3.210 N/A THR 256.A N GLU 253.A O no hydrogen 3.118 N/A THR 256.A OG1 GLU 253.A O no hydrogen 2.891 N/A LEU 257.A N GLY 254.A O no hydrogen 3.130 N/A ILE 260.A N LEU 271.A O no hydrogen 2.879 N/A SER 261.A N SER 201.A O no hydrogen 2.817 N/A SER 261.A OG THR 270.A OG1 no hydrogen 2.927 N/A PHE 262.A N TYR 269.A O no hydrogen 2.928 N/A HIS 263.A N GLY 199.A O no hydrogen 2.987 N/A LEU 264.A N LYS 267.A O no hydrogen 2.995 N/A LYS 267.A N LEU 264.A O no hydrogen 3.252 N/A LYS 267.A NZ GLU 268.A O no hydrogen 3.472 N/A TYR 269.A N PHE 262.A O no hydrogen 2.831 N/A THR 270.A OG1 SER 261.A OG no hydrogen 2.927 N/A LEU 271.A N ILE 260.A O no hydrogen 2.812 N/A THR 272.A N ASP 275.A OD2 no hydrogen 2.905 N/A THR 272.A OG1 ASP 275.A OD2 no hydrogen 3.362 N/A SER 273.A OG PRO 255.A O no hydrogen 3.540 N/A ASP 275.A N THR 272.A O no hydrogen 2.844 N/A TYR 276.A N SER 273.A O no hydrogen 3.094 N/A TYR 276.A OH PRO 258.A O no hydrogen 2.576 N/A VAL 277.A N SER 273.A O no hydrogen 2.936 N/A PHE 278.A N THR 289.A O no hydrogen 2.811 N/A GLN 279.A NE2 CYS 251.A O no hydrogen 2.740 N/A GLN 279.A NE2 SER 281.A O no hydrogen 2.858 N/A GLU 280.A N PHE 278.A O no hydrogen 2.949 N/A SER 283.A N SER 281.A OG no hydrogen 2.891 N/A LYS 285.A N SER 283.A OG no hydrogen 2.994 N/A LYS 286.A N SER 283.A O no hydrogen 3.305 N/A CYS 288.A N VAL 249.A O no hydrogen 2.725 N/A CYS 288.A SG PHE 278.A O no hydrogen 3.390 N/A CYS 288.A SG SER 281.A O no hydrogen 3.734 N/A THR 289.A OG1 ASP 246.A OD2 no hydrogen 3.070 N/A LEU 290.A N TYR 247.A O no hydrogen 3.184 N/A ALA 291.A N TYR 276.A O no hydrogen 2.744 N/A HIS 293.A N ILE 224.A O no hydrogen 2.908 N/A MET 295.A N GLY 226.A O no hydrogen 2.845 N/A GLY 302.A N PRO 298.A O no hydrogen 2.908 N/A THR 304.A OG1 GLN 194.A OE1 no hydrogen 3.007 N/A THR 304.A OG1 TRP 305.A O no hydrogen 2.740 N/A TRP 305.A N LEU 214.A O no hydrogen 2.874 N/A ALA 306.A N SER 225.A O no hydrogen 2.891 N/A LEU 307.A N LEU 216.A O no hydrogen 2.770 N/A ALA 309.A N ALA 221.A O no hydrogen 2.873 N/A THR 310.A OG1 SER 222.A O no hydrogen 3.494 N/A THR 310.A OG1 ALA 291.A O no hydrogen 2.825 N/A PHE 311.A N GLY 308.A O no hydrogen 2.895 N/A ILE 312.A N GLY 308.A O no hydrogen 2.998 N/A ARG 313.A N ALA 309.A O no hydrogen 2.913 N/A ARG 313.A NH1 ASP 14.A O no hydrogen 2.883 N/A ARG 313.A NH1 TYR 17.A OH no hydrogen 2.896 N/A LYS 314.A N PHE 311.A O no hydrogen 3.124 N/A LYS 314.A NZ THR 270.A O no hydrogen 2.821 N/A LYS 314.A NZ ASP 275.A OD2 no hydrogen 2.813 N/A PHE 315.A N PHE 311.A O no hydrogen 3.058 N/A THR 317.A N PHE 157.A O no hydrogen 3.112 N/A THR 317.A OG1 PHE 315.A O no hydrogen 2.854 N/A GLU 318.A N GLY 327.A O no hydrogen 2.783 N/A PHE 319.A N PHE 155.A O no hydrogen 2.824 N/A ASP 320.A N ARG 325.A O no hydrogen 2.909 N/A ARG 321.A N ASP 153.A O no hydrogen 2.925 N/A ARG 321.A NH1 ASP 142.A OD1 no hydrogen 2.784 N/A ARG 321.A NH2 ASP 142.A OD1 no hydrogen 3.371 N/A ASN 323.A N ASP 320.A OD1 no hydrogen 2.852 N/A ARG 325.A N ASP 320.A O no hydrogen 3.205 N/A ARG 325.A NH1 ASP 320.A OD2 no hydrogen 2.920 N/A ILE 326.A N ILE 185.A O no hydrogen 2.928 N/A GLY 327.A N GLU 318.A O no hydrogen 2.777 N/A PHE 328.A N HIS 183.A O no hydrogen 2.910 N/A ALA 329.A N TYR 316.A O no hydrogen 3.009 N/A ALA 331.A N LYS 314.A O no hydrogen 2.873 N/A ARG 332.A N HIS 177.A O no hydrogen 2.909 N/A ARG 332.A NE TYR 178.A O no hydrogen 2.882 N/A HIS 333.A NE2 TYR 159.A O no hydrogen 3.224 N/A