Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASP 42.A O no hydrogen 2.744 N/A GLY 5.A N ILE 89.A O no hydrogen 2.707 N/A ILE 6.A N LYS 44.A O no hydrogen 2.810 N/A ILE 7.A N LEU 91.A O no hydrogen 2.898 N/A GLY 8.A N GLY 47.A O no hydrogen 2.806 N/A ALA 9.A N LEU 93.A O no hydrogen 2.810 N/A PHE 11.A N ALA 9.A O no hydrogen 2.732 N/A SER 12.A OG GLU 21.A OE2 no hydrogen 3.378 N/A GLY 14.A N ASP 96.A OD2 no hydrogen 3.098 N/A GLN 15.A N SER 12.A O no hydrogen 3.070 N/A GLN 15.A NE2 SER 12.A O no hydrogen 2.844 N/A GLN 15.A NE2 ARG 17.A O no hydrogen 2.490 N/A GLU 21.A N GLY 18.A O no hydrogen 3.259 N/A GLU 22.A N GLY 19.A O no hydrogen 3.095 N/A GLY 23.A N VAL 20.A O no hydrogen 3.162 N/A VAL 26.A N GLU 22.A O no hydrogen 3.074 N/A LEU 27.A N GLY 23.A O no hydrogen 3.037 N/A ARG 28.A N PRO 24.A O no hydrogen 3.062 N/A ARG 28.A NE ASP 45.A OD2 no hydrogen 2.829 N/A ARG 28.A NH1 ASP 48.A OD2 no hydrogen 2.594 N/A ARG 28.A NH2 ASP 45.A OD1 no hydrogen 2.717 N/A LYS 29.A N THR 25.A O no hydrogen 3.055 N/A GLY 31.A N ARG 28.A O no hydrogen 3.058 N/A LEU 32.A N LEU 27.A O no hydrogen 3.308 N/A LYS 35.A N GLY 31.A O no hydrogen 2.866 N/A LEU 36.A N LEU 32.A O no hydrogen 3.003 N/A LYS 37.A N LEU 33.A O no hydrogen 3.016 N/A GLU 38.A N GLU 34.A O no hydrogen 2.892 N/A GLN 39.A N LEU 36.A O no hydrogen 3.159 N/A CYS 41.A SG PHE 300.A O no hydrogen 3.598 N/A ASP 42.A N ARG 2.A O no hydrogen 3.331 N/A LYS 44.A N ILE 4.A O no hydrogen 3.182 N/A TYR 46.A N ILE 6.A O no hydrogen 2.740 N/A TYR 46.A OH ASN 86.A OD1 no hydrogen 3.081 N/A GLY 47.A N ASP 45.A OD1 no hydrogen 2.665 N/A LEU 49.A N GLY 8.A O no hydrogen 2.737 N/A PHE 60.A N VAL 63.A O no hydrogen 2.901 N/A VAL 63.A N PHE 60.A O no hydrogen 2.805 N/A LYS 64.A N GLY 134.A O no hydrogen 2.949 N/A LYS 64.A NZ SER 133.A O no hydrogen 2.699 N/A ASN 65.A ND2 LYS 13.A O no hydrogen 3.140 N/A ARG 67.A N ASP 57.A OD1 no hydrogen 2.961 N/A ARG 67.A NH1 ASP 57.A OD1 no hydrogen 2.694 N/A ARG 67.A NH1 SER 58.A O no hydrogen 2.782 N/A SER 68.A N ASP 57.A OD2 no hydrogen 2.975 N/A SER 68.A OG ASP 57.A OD2 no hydrogen 2.841 N/A VAL 69.A N ASN 65.A O no hydrogen 3.027 N/A GLY 70.A N PRO 66.A O no hydrogen 2.651 N/A LYS 71.A N ARG 67.A O no hydrogen 3.002 N/A LYS 71.A NZ GLU 74.A OE1 no hydrogen 3.158 N/A ALA 72.A N SER 68.A O no hydrogen 3.032 N/A SER 73.A N VAL 69.A O no hydrogen 3.090 N/A SER 73.A OG SER 98.A O no hydrogen 3.376 N/A GLU 74.A N GLY 70.A O no hydrogen 3.068 N/A GLN 75.A N LYS 71.A O no hydrogen 2.767 N/A GLN 75.A NE2 PRO 50.A O no hydrogen 3.476 N/A LEU 76.A N ALA 72.A O no hydrogen 2.907 N/A ALA 77.A N SER 73.A O no hydrogen 2.788 N/A GLY 78.A N GLU 74.A O no hydrogen 3.310 N/A LYS 79.A N GLN 75.A O no hydrogen 3.309 N/A LYS 79.A NZ GLN 75.A O no hydrogen 2.806 N/A VAL 80.A N LEU 76.A O no hydrogen 2.939 N/A ALA 81.A N ALA 77.A O no hydrogen 3.073 N/A GLU 82.A N GLY 78.A O no hydrogen 3.146 N/A GLU 82.A N LYS 79.A O no hydrogen 2.627 N/A VAL 83.A N LYS 79.A O no hydrogen 2.970 N/A LYS 84.A N VAL 80.A O no hydrogen 3.002 N/A LYS 84.A NZ ARG 88.A O no hydrogen 3.108 N/A LYS 84.A NZ SER 267.A O no hydrogen 3.029 N/A LYS 85.A N ALA 81.A O no hydrogen 2.967 N/A LYS 85.A NZ ALA 81.A O no hydrogen 3.356 N/A ASN 86.A N VAL 83.A O no hydrogen 2.951 N/A GLY 87.A N LYS 84.A O no hydrogen 3.035 N/A ARG 88.A N VAL 83.A O no hydrogen 3.244 N/A ARG 88.A NE ILE 4.A O no hydrogen 3.186 N/A ILE 89.A N THR 3.A O no hydrogen 2.653 N/A SER 90.A N SER 267.A O no hydrogen 3.349 N/A SER 90.A OG SER 267.A O no hydrogen 3.567 N/A LEU 91.A N GLY 5.A O no hydrogen 2.833 N/A VAL 92.A N LEU 269.A O no hydrogen 2.881 N/A LEU 93.A N ILE 7.A O no hydrogen 3.092 N/A GLY 94.A N ILE 271.A O no hydrogen 2.973 N/A ASP 96.A N PHE 11.A O no hydrogen 3.178 N/A HIS 97.A N GLU 273.A OE2 no hydrogen 2.678 N/A HIS 97.A NE2 SER 226.A OG no hydrogen 2.621 N/A SER 98.A N ASP 96.A OD1 no hydrogen 2.820 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.576 N/A LEU 99.A N ASP 96.A O no hydrogen 3.504 N/A ALA 100.A N HIS 97.A O no hydrogen 3.072 N/A ILE 101.A N SER 98.A O no hydrogen 3.140 N/A GLY 102.A N SER 73.A OG no hydrogen 3.015 N/A SER 103.A N LEU 99.A O no hydrogen 2.903 N/A SER 103.A OG ASP 270.A OD1 no hydrogen 2.694 N/A ILE 104.A N ALA 100.A O no hydrogen 2.869 N/A SER 105.A N ILE 101.A O no hydrogen 3.157 N/A SER 105.A OG ILE 101.A O no hydrogen 2.594 N/A GLY 106.A N GLY 102.A O no hydrogen 3.009 N/A HIS 107.A N SER 103.A O no hydrogen 3.114 N/A HIS 107.A ND1 HIS 224.A ND1 no hydrogen 2.754 N/A HIS 107.A NE2 SER 267.A OG no hydrogen 2.807 N/A ALA 108.A N ILE 104.A O no hydrogen 2.887 N/A ARG 109.A N SER 105.A O no hydrogen 3.114 N/A VAL 110.A N HIS 107.A O no hydrogen 3.097 N/A HIS 111.A N HIS 107.A O no hydrogen 2.920 N/A LEU 114.A N HIS 111.A O no hydrogen 3.023 N/A GLY 115.A N PRO 222.A O no hydrogen 2.959 N/A VAL 116.A N ASP 169.A O no hydrogen 2.838 N/A ILE 117.A N HIS 224.A O no hydrogen 2.821 N/A TRP 118.A N VAL 171.A O no hydrogen 2.811 N/A TRP 118.A NE1 ASP 120.A OD2 no hydrogen 3.032 N/A VAL 119.A N SER 226.A O no hydrogen 3.120 N/A ASP 120.A N ILE 173.A O no hydrogen 3.004 N/A ALA 121.A N ASP 230.A OD1 no hydrogen 3.269 N/A HIS 122.A N ASP 120.A OD1 no hydrogen 2.910 N/A HIS 122.A ND1 ASP 120.A OD1 no hydrogen 3.256 N/A THR 123.A OG1 GLU 182.A OE2 no hydrogen 2.712 N/A ILE 125.A N GLU 182.A OE2 no hydrogen 3.012 N/A ASN 126.A N GLY 138.A O no hydrogen 3.175 N/A ASN 126.A ND2 ASP 179.A OD2 no hydrogen 2.921 N/A THR 127.A N THR 130.A OG1 no hydrogen 2.506 N/A THR 127.A OG1 THR 130.A OG1 no hydrogen 3.296 N/A LEU 129.A N THR 127.A OG1 no hydrogen 3.035 N/A THR 130.A N THR 127.A O no hydrogen 2.884 N/A THR 130.A N THR 127.A OG1 no hydrogen 2.899 N/A THR 130.A OG1 ASN 126.A OD1 no hydrogen 2.933 N/A THR 130.A OG1 THR 127.A O no hydrogen 3.284 N/A THR 130.A OG1 THR 127.A OG1 no hydrogen 3.296 N/A THR 131.A N THR 127.A O no hydrogen 2.854 N/A GLY 134.A N THR 131.A OG1 no hydrogen 2.891 N/A ASN 135.A N SER 133.A OG no hydrogen 3.269 N/A HIS 137.A N GLY 14.A O no hydrogen 2.866 N/A GLY 138.A N ASN 135.A O no hydrogen 3.326 N/A GLN 139.A N LEU 136.A O no hydrogen 3.084 N/A GLN 139.A NE2 ASN 135.A O no hydrogen 3.431 N/A VAL 141.A N ASP 124.A O no hydrogen 2.899 N/A SER 142.A N GLN 139.A O no hydrogen 3.066 N/A SER 142.A OG ASN 126.A O no hydrogen 2.828 N/A SER 142.A OG GLN 139.A O no hydrogen 2.768 N/A PHE 143.A N PRO 140.A O no hydrogen 3.189 N/A LEU 144.A N VAL 141.A O no hydrogen 3.195 N/A LEU 145.A N VAL 141.A O no hydrogen 3.256 N/A LYS 146.A N ILE 165.A O no hydrogen 3.021 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.818 N/A LEU 148.A N LEU 145.A O no hydrogen 3.123 N/A LYS 149.A N LYS 146.A O no hydrogen 3.011 N/A LYS 151.A N LEU 148.A O no hydrogen 2.950 N/A PHE 158.A N VAL 155.A O no hydrogen 3.101 N/A TRP 160.A NE1 GLY 70.A O no hydrogen 2.976 N/A TRP 160.A NE1 GLY 157.A O no hydrogen 3.048 N/A VAL 161.A N PHE 158.A O no hydrogen 2.984 N/A ILE 165.A N LEU 144.A O no hydrogen 3.168 N/A SER 166.A N ASP 169.A OD2 no hydrogen 3.281 N/A ALA 167.A N GLU 147.A OE1 no hydrogen 2.931 N/A ALA 167.A N GLU 147.A OE2 no hydrogen 2.903 N/A ASP 169.A N SER 166.A O no hydrogen 2.933 N/A VAL 171.A N VAL 116.A O no hydrogen 2.937 N/A TYR 172.A N LYS 192.A O no hydrogen 3.199 N/A TYR 172.A OH THR 123.A O no hydrogen 2.570 N/A ILE 173.A N TRP 118.A O no hydrogen 2.942 N/A GLY 174.A N PHE 194.A O no hydrogen 3.032 N/A ARG 176.A N ALA 121.A O no hydrogen 2.909 N/A ARG 176.A NE GLY 174.A O no hydrogen 3.352 N/A ARG 176.A NH1 ASP 230.A O no hydrogen 3.330 N/A ARG 176.A NH1 VAL 244.A O no hydrogen 2.580 N/A ARG 176.A NH2 GLY 174.A O no hydrogen 3.366 N/A ARG 176.A NH2 ASP 230.A O no hydrogen 3.495 N/A ARG 176.A NH2 GLY 231.A O no hydrogen 2.335 N/A ASP 177.A N ALA 121.A O no hydrogen 3.061 N/A ASP 179.A N GLU 182.A OE1 no hydrogen 2.932 N/A HIS 183.A N ASP 179.A O no hydrogen 2.896 N/A TYR 184.A N PRO 180.A O no hydrogen 2.965 N/A ILE 185.A N GLY 181.A O no hydrogen 3.007 N/A LEU 186.A N GLU 182.A O no hydrogen 2.980 N/A LYS 187.A N HIS 183.A O no hydrogen 3.000 N/A LYS 187.A NZ TYR 193.A OH no hydrogen 2.741 N/A THR 188.A N TYR 184.A O no hydrogen 2.805 N/A THR 188.A OG1 TYR 184.A O no hydrogen 2.684 N/A LEU 189.A N ILE 185.A O no hydrogen 2.852 N/A ILE 191.A N LEU 186.A O no hydrogen 3.061 N/A PHE 194.A N TYR 172.A O no hydrogen 2.866 N/A SER 195.A N GLU 198.A OE1 no hydrogen 2.768 N/A SER 195.A OG GLU 198.A OE1 no hydrogen 2.636 N/A MET 196.A N LEU 175.A O no hydrogen 2.810 N/A THR 197.A N SER 195.A OG no hydrogen 3.101 N/A VAL 199.A N SER 195.A O no hydrogen 3.120 N/A ASP 200.A N MET 196.A O no hydrogen 2.961 N/A ARG 201.A N THR 197.A O no hydrogen 2.904 N/A ARG 201.A NH1 GLU 198.A OE2 no hydrogen 3.393 N/A LEU 202.A N GLU 198.A O no hydrogen 2.912 N/A GLY 203.A N VAL 199.A O no hydrogen 2.779 N/A LYS 206.A NZ GLU 209.A OE2 no hydrogen 3.095 N/A VAL 207.A N GLY 203.A O no hydrogen 3.029 N/A MET 208.A N ILE 204.A O no hydrogen 2.936 N/A GLU 209.A N GLY 205.A O no hydrogen 2.989 N/A GLU 210.A N LYS 206.A O no hydrogen 2.857 N/A THR 211.A N VAL 207.A O no hydrogen 2.912 N/A THR 211.A OG1 VAL 207.A O no hydrogen 3.340 N/A THR 211.A OG1 MET 208.A O no hydrogen 2.882 N/A LEU 212.A N MET 208.A O no hydrogen 3.103 N/A SER 213.A N GLU 209.A O no hydrogen 3.152 N/A SER 213.A OG GLU 209.A O no hydrogen 3.166 N/A SER 213.A OG GLU 210.A O no hydrogen 2.831 N/A TYR 214.A N GLU 210.A O no hydrogen 2.878 N/A LEU 215.A N THR 211.A O no hydrogen 3.068 N/A LEU 216.A N LEU 212.A O no hydrogen 2.841 N/A ARG 221.A NE LEU 215.A O no hydrogen 2.933 N/A ARG 221.A NH1 ASP 113.A O no hydrogen 3.332 N/A ARG 221.A NH1 ASP 169.A OD1 no hydrogen 3.096 N/A ARG 221.A NH2 ASP 169.A OD1 no hydrogen 3.161 N/A ARG 221.A NH2 LEU 215.A O no hydrogen 3.150 N/A ILE 223.A N LEU 265.A O no hydrogen 2.835 N/A HIS 224.A N GLY 115.A O no hydrogen 2.778 N/A HIS 224.A ND1 HIS 107.A ND1 no hydrogen 2.754 N/A HIS 224.A NE2 ASP 270.A OD2 no hydrogen 2.771 N/A LEU 225.A N GLY 268.A O no hydrogen 2.745 N/A SER 226.A N ILE 117.A O no hydrogen 2.941 N/A SER 226.A OG HIS 97.A NE2 no hydrogen 2.621 N/A SER 226.A OG ASP 270.A OD2 no hydrogen 2.994 N/A PHE 227.A N ASP 270.A O no hydrogen 2.681 N/A ASP 228.A N VAL 119.A O no hydrogen 2.853 N/A VAL 229.A N MET 272.A O no hydrogen 3.084 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 2.841 N/A GLY 231.A N ASP 228.A O no hydrogen 2.763 N/A LEU 232.A N VAL 229.A O no hydrogen 3.322 N/A ASP 233.A N LEU 248.A O no hydrogen 2.838 N/A SER 235.A N ASP 233.A OD1 no hydrogen 2.952 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.564 N/A PHE 236.A N ASP 233.A O no hydrogen 2.900 N/A THR 237.A N ASP 233.A O no hydrogen 3.250 N/A THR 237.A OG1 VAL 229.A O no hydrogen 2.830 N/A ALA 239.A N THR 288.A OG1 no hydrogen 2.962 N/A THR 240.A N PRO 238.A O no hydrogen 2.908 N/A THR 240.A OG1 GLU 273.A O no hydrogen 2.752 N/A THR 242.A OG1 ASP 230.A OD2 no hydrogen 2.850 N/A GLY 247.A N ASP 233.A OD2 no hydrogen 3.006 N/A LEU 248.A N GLY 231.A O no hydrogen 3.186 N/A THR 249.A N GLU 252.A OE1 no hydrogen 2.935 N/A GLU 252.A N THR 249.A OG1 no hydrogen 3.081 N/A GLY 253.A N THR 249.A O no hydrogen 2.926 N/A LEU 254.A N TYR 250.A O no hydrogen 2.963 N/A TYR 255.A N ARG 251.A O no hydrogen 2.776 N/A ILE 256.A N GLU 252.A O no hydrogen 2.842 N/A THR 257.A N GLY 253.A O no hydrogen 3.316 N/A THR 257.A OG1 GLY 253.A O no hydrogen 3.084 N/A THR 257.A OG1 LEU 254.A O no hydrogen 3.054 N/A GLU 258.A N LEU 254.A O no hydrogen 2.806 N/A GLU 259.A N TYR 255.A O no hydrogen 2.981 N/A ILE 260.A N ILE 256.A O no hydrogen 3.094 N/A TYR 261.A N THR 257.A O no hydrogen 2.941 N/A LYS 262.A N GLU 258.A O no hydrogen 3.176 N/A LYS 262.A NZ GLU 259.A OE2 no hydrogen 2.851 N/A THR 263.A N ILE 260.A O no hydrogen 2.974 N/A THR 263.A OG1 ILE 260.A O no hydrogen 2.633 N/A GLY 264.A N TYR 261.A O no hydrogen 2.780 N/A LEU 265.A N THR 263.A OG1 no hydrogen 2.978 N/A SER 267.A N ILE 223.A O no hydrogen 2.849 N/A SER 267.A OG HIS 107.A NE2 no hydrogen 2.807 N/A SER 267.A OG ILE 223.A O no hydrogen 3.374 N/A GLY 268.A N ILE 223.A O no hydrogen 3.180 N/A LEU 269.A N SER 90.A O no hydrogen 2.879 N/A ASP 270.A N LEU 225.A O no hydrogen 2.750 N/A ILE 271.A N VAL 92.A O no hydrogen 3.016 N/A MET 272.A N PHE 227.A O no hydrogen 2.961 N/A GLU 273.A N GLY 95.A O no hydrogen 2.893 N/A ASN 275.A N ALA 239.A O no hydrogen 2.891 N/A SER 277.A N ASN 275.A OD1 no hydrogen 3.137 N/A SER 277.A OG ASN 275.A OD1 no hydrogen 2.657 N/A LEU 278.A N ASN 275.A O no hydrogen 2.895 N/A GLY 279.A N PRO 276.A O no hydrogen 3.258 N/A LYS 280.A N GLU 284.A OE1 no hydrogen 3.019 N/A GLU 284.A N THR 281.A O no hydrogen 3.310 N/A GLU 284.A N THR 281.A OG1 no hydrogen 3.379 N/A THR 286.A N PRO 282.A O no hydrogen 3.130 N/A THR 286.A OG1 PRO 282.A O no hydrogen 3.250 N/A ARG 287.A N GLU 283.A O no hydrogen 2.679 N/A ARG 287.A NH1 SER 235.A O no hydrogen 2.642 N/A ARG 287.A NH2 GLU 283.A OE2 no hydrogen 2.402 N/A THR 288.A N GLU 284.A O no hydrogen 3.113 N/A THR 288.A OG1 GLU 284.A O no hydrogen 2.736 N/A VAL 289.A N VAL 285.A O no hydrogen 2.954 N/A ASN 290.A N THR 286.A O no hydrogen 2.977 N/A THR 291.A N ARG 287.A O no hydrogen 3.137 N/A THR 291.A OG1 PHE 236.A O no hydrogen 3.336 N/A THR 291.A OG1 ARG 287.A O no hydrogen 2.961 N/A ALA 292.A N THR 288.A O no hydrogen 2.959 N/A VAL 293.A N VAL 289.A O no hydrogen 2.845 N/A ALA 294.A N ASN 290.A O no hydrogen 2.904 N/A ILE 295.A N THR 291.A O no hydrogen 2.929 N/A THR 296.A N ALA 292.A O no hydrogen 3.081 N/A THR 296.A OG1 ALA 292.A O no hydrogen 2.827 N/A LEU 297.A N VAL 293.A O no hydrogen 2.854 N/A ALA 298.A N ALA 294.A O no hydrogen 3.103 N/A CYS 299.A N ILE 295.A O no hydrogen 3.220 N/A CYS 299.A N THR 296.A O no hydrogen 3.115 N/A CYS 299.A SG ILE 295.A O no hydrogen 3.276 N/A PHE 300.A N LEU 297.A O no hydrogen 3.131 N/A GLY 301.A N ALA 298.A O no hydrogen 3.456 N/A LEU 302.A N LEU 297.A O no hydrogen 3.107 N/A ALA 303.A N ASN 307.A OD1 no hydrogen 2.977 N/A ARG 304.A N GLU 258.A OE2 no hydrogen 3.219 N/A ARG 304.A NE GLU 258.A OE2 no hydrogen 3.097 N/A ARG 304.A NH2 ARG 251.A O no hydrogen 3.460 N/A ARG 304.A NH2 GLU 258.A OE1 no hydrogen 2.957 N/A GLY 306.A N ALA 303.A O no hydrogen 3.096 N/A ASN 307.A ND2 GLY 301.A O no hydrogen 2.788 N/A LYS 309.A N TYR 313.A OH no hydrogen 2.776 N/A ILE 311.A N LYS 309.A O no hydrogen 2.632 N/A