Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wnc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG SER 3.A O no hydrogen 3.550 N/A SER 3.A N ASP 234.A OD1 no hydrogen 2.902 N/A SER 3.A OG ASP 234.A OD1 no hydrogen 3.203 N/A ARG 8.A NH1 VAL 6.A O no hydrogen 3.495 N/A ALA 12.A N ASN 50.A O no hydrogen 3.136 N/A ASN 13.A ND2 GLY 239.A O no hydrogen 2.797 N/A VAL 14.A N VAL 51.A O no hydrogen 2.796 N/A ALA 15.A N ILE 74.A O no hydrogen 2.788 N/A ILE 16.A N VAL 53.A O no hydrogen 2.856 N/A ILE 17.A N VAL 76.A O no hydrogen 2.919 N/A THR 19.A OG1 ASP 85.A OD1 no hydrogen 3.187 N/A THR 19.A OG1 ASP 85.A OD2 no hydrogen 2.727 N/A SER 22.A OG THR 19.A O no hydrogen 2.833 N/A ARG 24.A NH1 TYR 58.A O no hydrogen 2.915 N/A ARG 24.A NH2 TYR 58.A O no hydrogen 3.191 N/A THR 25.A OG1 ASP 54.A OD2 no hydrogen 2.722 N/A LEU 27.A N GLY 23.A O no hydrogen 3.022 N/A ALA 28.A N ARG 24.A O no hydrogen 2.942 N/A ALA 29.A N THR 25.A O no hydrogen 2.763 N/A ASN 30.A N SER 26.A O no hydrogen 3.124 N/A ASN 30.A N LEU 27.A O no hydrogen 3.088 N/A ASN 30.A ND2 SER 26.A O no hydrogen 2.741 N/A LEU 31.A N ALA 28.A O no hydrogen 2.882 N/A LYS 33.A N ASN 43.A O no hydrogen 2.752 N/A SER 37.A OG THR 41.A OG1 no hydrogen 2.947 N/A SER 38.A N ILE 40.A O no hydrogen 2.808 N/A SER 38.A OG ASP 39.A OD1 no hydrogen 3.345 N/A SER 38.A OG HIS 186.A NE2 no hydrogen 2.924 N/A THR 41.A N ASP 54.A O no hydrogen 2.935 N/A THR 41.A OG1 SER 37.A OG no hydrogen 2.947 N/A ASN 43.A N LYS 33.A O no hydrogen 2.831 N/A ASN 44.A ND2 LEU 31.A O no hydrogen 2.896 N/A ASN 44.A ND2 GLU 47.A OE2 no hydrogen 3.045 N/A LYS 46.A N ASN 44.A OD1 no hydrogen 3.160 N/A ARG 49.A NE GLU 169.A OE2 no hydrogen 2.534 N/A ARG 49.A NH2 GLU 169.A OE1 no hydrogen 3.045 N/A ASN 50.A N HIS 11.A O no hydrogen 2.912 N/A PHE 52.A N TYR 42.A O no hydrogen 2.836 N/A VAL 53.A N VAL 14.A O no hydrogen 2.661 N/A ASP 54.A N THR 41.A O no hydrogen 2.850 N/A HIS 56.A NE2 SER 38.A O no hydrogen 3.110 N/A SER 57.A N SER 64.A OG no hydrogen 3.270 N/A SER 57.A OG ASP 39.A O no hydrogen 2.834 N/A TYR 58.A N ALA 55.A O no hydrogen 3.134 N/A TYR 58.A OH HIS 87.A O no hydrogen 3.261 N/A TYR 58.A OH GLU 90.A OE1 no hydrogen 2.645 N/A THR 61.A N SER 57.A O no hydrogen 2.752 N/A SER 64.A N THR 61.A OG1 no hydrogen 3.247 N/A SER 64.A OG ASP 39.A O no hydrogen 3.191 N/A ILE 66.A N LEU 62.A O no hydrogen 2.834 N/A THR 67.A N LYS 63.A O no hydrogen 2.768 N/A THR 67.A OG1 LYS 63.A O no hydrogen 2.752 N/A ALA 68.A N SER 64.A O no hydrogen 3.131 N/A LEU 69.A N LEU 65.A O no hydrogen 2.962 N/A ASN 70.A N ILE 66.A O no hydrogen 2.822 N/A ASN 70.A ND2 GLY 293.A O no hydrogen 2.956 N/A SER 72.A N LEU 69.A O no hydrogen 3.164 N/A SER 72.A OG ALA 68.A O no hydrogen 2.709 N/A ASP 73.A N ASN 13.A O no hydrogen 2.789 N/A ILE 74.A N ASN 13.A O no hydrogen 3.234 N/A ALA 75.A N HIS 102.A O no hydrogen 3.000 N/A VAL 76.A N ALA 15.A O no hydrogen 2.769 N/A LEU 77.A N ILE 104.A O no hydrogen 2.969 N/A CYS 78.A N ILE 17.A O no hydrogen 2.813 N/A ILE 79.A N ALA 106.A O no hydrogen 2.857 N/A ASP 85.A N GLY 83.A O no hydrogen 2.926 N/A THR 88.A N ASP 85.A OD1 no hydrogen 2.916 N/A THR 88.A OG1 GLY 83.A O no hydrogen 2.862 N/A THR 88.A OG1 ASP 85.A OD1 no hydrogen 3.132 N/A GLY 89.A N ASP 85.A O no hydrogen 3.083 N/A GLU 90.A N ALA 86.A O no hydrogen 2.914 N/A CYS 91.A N HIS 87.A O no hydrogen 2.844 N/A CYS 91.A SG TYR 58.A OH no hydrogen 3.657 N/A CYS 91.A SG HIS 87.A O no hydrogen 3.511 N/A ILE 92.A N THR 88.A O no hydrogen 3.081 N/A ILE 93.A N GLY 89.A O no hydrogen 2.957 N/A ALA 94.A N GLU 90.A O no hydrogen 2.879 N/A LEU 95.A N CYS 91.A O no hydrogen 2.973 N/A ASP 96.A N ILE 92.A O no hydrogen 2.959 N/A LEU 97.A N ILE 93.A O no hydrogen 2.780 N/A LEU 98.A N ALA 94.A O no hydrogen 2.881 N/A GLY 99.A N ASP 96.A O no hydrogen 3.067 N/A PHE 100.A N LEU 95.A O no hydrogen 2.945 N/A HIS 102.A NE2 GLU 171.A OE1 no hydrogen 2.779 N/A ILE 104.A N ALA 75.A O no hydrogen 2.850 N/A ILE 105.A N GLU 137.A O no hydrogen 2.852 N/A ALA 106.A N LEU 77.A O no hydrogen 2.776 N/A LEU 107.A N ILE 139.A O no hydrogen 2.866 N/A THR 108.A N ILE 79.A O no hydrogen 3.264 N/A THR 108.A OG1 SER 22.A O no hydrogen 2.729 N/A SER 110.A N LEU 141.A O no hydrogen 2.945 N/A SER 110.A OG GLU 152.A OE2 no hydrogen 2.562 N/A SER 112.A N ARG 109.A O no hydrogen 2.928 N/A SER 112.A OG ARG 109.A O no hydrogen 2.752 N/A THR 113.A N SER 110.A O no hydrogen 3.141 N/A HIS 114.A N THR 113.A OG1 no hydrogen 2.669 N/A ALA 116.A N HIS 114.A O no hydrogen 2.869 N/A ILE 117.A N HIS 114.A O no hydrogen 2.882 N/A GLU 119.A N HIS 115.A O no hydrogen 3.207 N/A LEU 120.A N ALA 116.A O no hydrogen 2.856 N/A LYS 121.A N ILE 117.A O no hydrogen 2.883 N/A ALA 122.A N ASP 118.A O no hydrogen 3.040 N/A LYS 123.A N GLU 119.A O no hydrogen 3.074 N/A LEU 124.A N LEU 120.A O no hydrogen 2.989 N/A LYS 125.A N LYS 121.A O no hydrogen 2.960 N/A VAL 126.A N LYS 123.A O no hydrogen 3.049 N/A ILE 127.A N LYS 123.A O no hydrogen 2.975 N/A THR 128.A N LEU 124.A O no hydrogen 2.881 N/A THR 128.A OG1 LEU 124.A O no hydrogen 2.934 N/A SER 129.A N VAL 126.A O no hydrogen 3.320 N/A GLY 130.A N GLN 134.A OE1 no hydrogen 3.240 N/A THR 131.A N THR 128.A O no hydrogen 3.048 N/A THR 131.A OG1 THR 128.A O no hydrogen 2.668 N/A VAL 132.A N ASP 96.A OD1 no hydrogen 3.007 N/A LEU 133.A N THR 131.A OG1 no hydrogen 3.091 N/A GLN 134.A N THR 131.A O no hydrogen 3.093 N/A GLN 134.A NE2 ASP 135.A OD2 no hydrogen 3.162 N/A TRP 136.A N LEU 133.A O no hydrogen 2.995 N/A TRP 136.A NE1 LYS 101.A O no hydrogen 3.145 N/A ILE 139.A N ILE 105.A O no hydrogen 2.868 N/A LEU 141.A N LEU 107.A O no hydrogen 3.048 N/A ASN 142.A N GLU 152.A O no hydrogen 3.301 N/A ASN 142.A ND2 SER 110.A OG no hydrogen 3.049 N/A ASN 142.A ND2 ASN 149.A O no hydrogen 2.962 N/A ASN 144.A N ASN 142.A OD1 no hydrogen 2.914 N/A ASN 144.A ND2 ASP 111.A OD2 no hydrogen 2.961 N/A SER 146.A N ASN 144.A OD1 no hydrogen 2.933 N/A ALA 147.A N ASN 144.A O no hydrogen 3.180 N/A PHE 151.A N ASN 142.A OD1 no hydrogen 2.958 N/A GLU 152.A N ASN 149.A O no hydrogen 3.320 N/A VAL 154.A N PHE 151.A O no hydrogen 3.227 N/A LEU 157.A N GLY 153.A O no hydrogen 2.830 N/A LYS 158.A N VAL 154.A O no hydrogen 2.899 N/A ALA 159.A N ASP 155.A O no hydrogen 2.993 N/A ARG 160.A N GLU 156.A O no hydrogen 2.948 N/A ARG 160.A NH1 GLU 163.A OE2 no hydrogen 3.079 N/A ILE 161.A N LEU 157.A O no hydrogen 2.880 N/A ASN 162.A N LYS 158.A O no hydrogen 2.985 N/A GLU 163.A N ALA 159.A O no hydrogen 3.058 N/A VAL 164.A N ARG 160.A O no hydrogen 2.959 N/A ALA 165.A N ILE 161.A O no hydrogen 2.783 N/A GLU 166.A N ASN 162.A O no hydrogen 3.092 N/A GLU 166.A N GLU 163.A O no hydrogen 3.107 N/A LYS 167.A N GLU 163.A O no hydrogen 3.432 N/A ILE 168.A N VAL 164.A O no hydrogen 3.031 N/A GLU 169.A N ALA 165.A O no hydrogen 2.825 N/A ALA 170.A N GLU 166.A O no hydrogen 3.411 N/A GLU 171.A N LYS 167.A O no hydrogen 3.092 N/A ASN 172.A N ILE 168.A O no hydrogen 2.773 N/A ASN 172.A ND2 ASP 73.A OD2 no hydrogen 3.287 N/A ALA 173.A N GLU 169.A O no hydrogen 2.890 N/A GLU 174.A N GLU 171.A O no hydrogen 3.217 N/A LEU 175.A N ASN 172.A O no hydrogen 2.841 N/A ASN 176.A N ALA 173.A O no hydrogen 3.075 N/A SER 177.A OG GLU 174.A O no hydrogen 3.457 N/A LEU 178.A N LEU 175.A O no hydrogen 3.078 N/A ARG 181.A N GLN 203.A O no hydrogen 3.237 N/A ARG 181.A NE GLU 263.A OE2 no hydrogen 2.746 N/A ARG 181.A NH1 ASP 336.A OD1 no hydrogen 2.904 N/A ARG 181.A NH2 GLU 263.A OE1 no hydrogen 2.839 N/A ARG 181.A NH2 GLU 263.A OE2 no hydrogen 3.419 N/A ARG 181.A NH2 ASP 336.A OD1 no hydrogen 3.530 N/A ARG 181.A NH2 ASP 336.A OD2 no hydrogen 2.852 N/A ILE 182.A N ILE 259.A O no hydrogen 2.904 N/A PHE 183.A N VAL 200.A O no hydrogen 3.044 N/A ILE 184.A N PHE 257.A O no hydrogen 3.072 N/A ASP 185.A N LEU 198.A O no hydrogen 2.817 N/A HIS 186.A N LEU 198.A O no hydrogen 3.231 N/A HIS 186.A ND1 ASP 185.A OD1 no hydrogen 2.693 N/A HIS 186.A NE2 SER 38.A OG no hydrogen 2.924 N/A PHE 188.A N VAL 196.A O no hydrogen 2.977 N/A VAL 190.A N GLY 194.A O no hydrogen 2.923 N/A LYS 193.A N VAL 190.A O no hydrogen 2.924 N/A GLY 194.A N VAL 190.A O no hydrogen 2.915 N/A VAL 196.A N PHE 188.A O no hydrogen 2.943 N/A LEU 198.A N HIS 186.A O no hydrogen 2.941 N/A GLY 199.A N VAL 242.A O no hydrogen 2.888 N/A VAL 200.A N PHE 183.A O no hydrogen 3.031 N/A VAL 201.A N THR 240.A O no hydrogen 2.982 N/A LYS 202.A N ARG 181.A O no hydrogen 2.864 N/A LYS 202.A NZ ASN 70.A O no hydrogen 2.780 N/A GLN 203.A NE2 PRO 179.A O no hydrogen 2.860 N/A GLY 204.A N LEU 175.A O no hydrogen 2.718 N/A SER 206.A N ALA 236.A O no hydrogen 2.986 N/A LYS 207.A N ASP 210.A OD2 no hydrogen 3.003 N/A ASP 208.A N ASP 234.A O no hydrogen 2.900 N/A LYS 209.A N ILE 223.A O no hydrogen 2.768 N/A LYS 209.A NZ ASP 208.A OD1 no hydrogen 3.003 N/A LYS 209.A NZ ASP 208.A OD2 no hydrogen 3.318 N/A LYS 209.A NZ ARG 224.A O no hydrogen 3.060 N/A ASP 210.A N LYS 207.A O no hydrogen 2.994 N/A THR 212.A N ILE 221.A O no hydrogen 2.979 N/A THR 212.A OG1 ASP 261.A OD1 no hydrogen 2.600 N/A LYS 213.A N THR 212.A OG1 no hydrogen 2.688 N/A LYS 213.A N SER 260.A O no hydrogen 3.184 N/A LYS 213.A NZ ASP 218.A OD1 no hydrogen 3.114 N/A ILE 214.A N ARG 219.A O no hydrogen 2.977 N/A PHE 215.A N ILE 258.A O no hydrogen 2.696 N/A ASP 218.A N ILE 214.A O no hydrogen 2.810 N/A ARG 219.A N ILE 214.A O no hydrogen 3.261 N/A ARG 219.A NE ASN 247.A O no hydrogen 2.598 N/A ARG 219.A NH2 ASN 247.A O no hydrogen 3.497 N/A ARG 219.A NH2 ASN 247.A OD1 no hydrogen 3.180 N/A ILE 221.A N THR 212.A O no hydrogen 2.922 N/A GLU 222.A N LYS 246.A O no hydrogen 3.225 N/A ILE 223.A N ASP 210.A O no hydrogen 2.909 N/A ARG 224.A N ARG 244.A O no hydrogen 2.861 N/A GLN 227.A N GLY 243.A O no hydrogen 2.703 N/A GLN 227.A NE2 SER 225.A OG no hydrogen 2.674 N/A GLN 227.A NE2 ASP 232.A OD1 no hydrogen 2.933 N/A SER 228.A N VAL 231.A O no hydrogen 2.827 N/A VAL 231.A N SER 228.A O no hydrogen 3.066 N/A ILE 233.A N ILE 226.A O no hydrogen 2.836 N/A ASP 234.A N SER 3.A OG no hydrogen 3.113 N/A SER 235.A OG ASP 234.A OD2 no hydrogen 3.318 N/A ALA 236.A N SER 206.A O no hydrogen 2.783 N/A ALA 238.A N ASN 176.A OD1 no hydrogen 3.346 N/A GLY 239.A N VAL 201.A O no hydrogen 2.687 N/A THR 240.A N PRO 237.A O no hydrogen 3.047 N/A THR 240.A OG1 PRO 237.A O no hydrogen 2.736 N/A ARG 241.A NH1 ASP 185.A OD1 no hydrogen 2.763 N/A ARG 241.A NH1 ASP 185.A OD2 no hydrogen 3.188 N/A ARG 241.A NH2 ASP 185.A OD2 no hydrogen 2.692 N/A VAL 242.A N GLY 199.A O no hydrogen 2.783 N/A GLY 243.A N GLN 227.A O no hydrogen 3.084 N/A ARG 244.A N SER 225.A O no hydrogen 3.010 N/A ARG 244.A NH1 LYS 193.A O no hydrogen 2.777 N/A LEU 245.A N CYS 195.A O no hydrogen 2.869 N/A LYS 246.A N GLU 222.A O no hydrogen 2.912 N/A ASN 247.A ND2 ASP 220.A O no hydrogen 2.732 N/A LYS 251.A NZ ASP 252.A OD1 no hydrogen 2.989 N/A LYS 251.A NZ ASP 252.A OD2 no hydrogen 3.432 N/A ASP 252.A N GLN 249.A O no hydrogen 2.850 N/A ILE 253.A N ALA 250.A O no hydrogen 3.060 N/A ARG 255.A NE ASP 185.A O no hydrogen 2.895 N/A ARG 255.A NH1 ASP 39.A OD1 no hydrogen 2.569 N/A ARG 255.A NH1 ASP 39.A OD2 no hydrogen 3.380 N/A ARG 255.A NH2 SER 38.A OG no hydrogen 2.925 N/A ARG 255.A NH2 ASP 39.A OD1 no hydrogen 3.359 N/A ARG 255.A NH2 ASP 185.A O no hydrogen 3.435 N/A ARG 255.A NH2 HIS 186.A NE2 no hydrogen 3.132 N/A GLY 256.A N ILE 184.A O no hydrogen 2.845 N/A PHE 257.A N GLU 254.A O no hydrogen 3.086 N/A ILE 258.A N PHE 215.A O no hydrogen 2.841 N/A ILE 259.A N ILE 182.A O no hydrogen 2.925 N/A SER 260.A N LYS 213.A O no hydrogen 3.013 N/A SER 260.A OG LYS 262.A O no hydrogen 3.100 N/A SER 260.A OG GLU 263.A OE2 no hydrogen 2.771 N/A LYS 262.A N SER 260.A OG no hydrogen 3.157 N/A ILE 264.A N TYR 332.A O no hydrogen 2.840 N/A THR 266.A N LEU 330.A O no hydrogen 3.213 N/A THR 266.A OG1 ASP 268.A O no hydrogen 2.922 N/A THR 266.A OG1 TYR 332.A OH no hydrogen 2.611 N/A TYR 269.A N LEU 324.A O no hydrogen 2.761 N/A LEU 271.A N LEU 322.A O no hydrogen 2.925 N/A GLU 272.A N PHE 354.A O no hydrogen 2.875 N/A CYS 273.A N CYS 320.A O no hydrogen 2.703 N/A CYS 273.A SG LEU 271.A O no hydrogen 3.561 N/A THR 274.A N TYR 352.A O no hydrogen 2.994 N/A VAL 275.A N SER 318.A O no hydrogen 2.840 N/A SER 276.A N ALA 350.A O no hydrogen 2.835 N/A PHE 278.A N SER 276.A OG no hydrogen 2.951 N/A LYS 281.A NZ GLU 313.A OE1 no hydrogen 3.173 N/A ILE 282.A N ALA 314.A O no hydrogen 2.822 N/A ALA 285.A N VAL 301.A O no hydrogen 2.683 N/A SER 286.A N GLU 283.A O no hydrogen 3.107 N/A SER 286.A OG GLU 283.A O no hydrogen 2.521 N/A LEU 288.A N VAL 299.A O no hydrogen 2.936 N/A HIS 289.A N ALA 341.A O no hydrogen 2.726 N/A LEU 290.A N GLU 297.A O no hydrogen 2.788 N/A PHE 291.A N LEU 339.A O no hydrogen 2.858 N/A VAL 292.A N GLN 295.A O no hydrogen 3.136 N/A GLN 295.A N VAL 292.A O no hydrogen 2.878 N/A GLU 297.A N LEU 290.A O no hydrogen 2.964 N/A VAL 299.A N LEU 288.A O no hydrogen 2.896 N/A ARG 300.A N SER 325.A O no hydrogen 2.779 N/A VAL 301.A N SER 286.A O no hydrogen 2.882 N/A GLU 302.A N GLU 323.A O no hydrogen 2.792 N/A LYS 303.A N GLU 323.A O no hydrogen 3.326 N/A LEU 305.A N VAL 321.A O no hydrogen 2.962 N/A VAL 306.A N ASN 309.A O no hydrogen 2.744 N/A ASN 309.A N VAL 306.A O no hydrogen 2.834 N/A VAL 311.A N ILE 304.A O no hydrogen 2.833 N/A ALA 314.A N ILE 282.A O no hydrogen 2.866 N/A GLY 317.A N SER 276.A O no hydrogen 2.951 N/A SER 318.A N LYS 315.A O no hydrogen 3.248 N/A SER 318.A OG LYS 315.A O no hydrogen 2.858 N/A CYS 320.A N CYS 273.A O no hydrogen 2.920 N/A VAL 321.A N LEU 305.A O no hydrogen 2.863 N/A LEU 322.A N LEU 271.A O no hydrogen 2.853 N/A GLU 323.A N LYS 303.A O no hydrogen 2.870 N/A LEU 324.A N TYR 269.A O no hydrogen 2.671 N/A SER 325.A N ARG 300.A O no hydrogen 3.048 N/A SER 325.A OG GLU 302.A OE2 no hydrogen 2.715 N/A GLY 326.A N THR 267.A O no hydrogen 2.862 N/A LYS 328.A N GLU 297.A OE1 no hydrogen 3.430 N/A LEU 330.A N THR 266.A O no hydrogen 2.968 N/A TYR 332.A N ILE 264.A O no hydrogen 2.966 N/A TYR 332.A OH THR 266.A OG1 no hydrogen 2.611 N/A SER 333.A N ASP 336.A OD2 no hydrogen 2.998 N/A SER 333.A OG GLU 263.A OE1 no hydrogen 2.633 N/A GLN 335.A N GLN 335.A OE1 no hydrogen 2.909 N/A GLN 335.A NE2 GLN 203.A OE1 no hydrogen 2.989 N/A ASP 336.A N SER 333.A O no hydrogen 2.897 N/A ARG 337.A NH1 LEU 97.A O no hydrogen 2.664 N/A PHE 338.A N GLY 353.A O no hydrogen 2.830 N/A LEU 339.A N PHE 291.A O no hydrogen 2.815 N/A LEU 340.A N ALA 351.A O no hydrogen 2.793 N/A ALA 341.A N HIS 289.A O no hydrogen 2.841 N/A ASN 342.A N ARG 348.A O no hydrogen 2.824 N/A ASP 344.A N ASN 342.A OD1 no hydrogen 2.949 N/A LEU 345.A N ASN 342.A O no hydrogen 3.175 N/A ARG 348.A N GLU 90.A OE2 no hydrogen 2.707 N/A ARG 348.A NE GLU 90.A OE2 no hydrogen 2.835 N/A ARG 348.A NH1 PRO 59.A O no hydrogen 3.073 N/A ARG 348.A NH2 PRO 59.A O no hydrogen 2.892 N/A ARG 348.A NH2 GLU 90.A OE1 no hydrogen 2.806 N/A ALA 350.A N LEU 340.A O no hydrogen 2.752 N/A ALA 351.A N LEU 340.A O no hydrogen 3.161 N/A TYR 352.A N THR 274.A O no hydrogen 3.207 N/A GLY 353.A N PHE 338.A O no hydrogen 2.937 N/A PHE 354.A N GLU 272.A O no hydrogen 3.039 N/A SER 355.A OG LYS 356.A O no hydrogen 3.423 N/A LYS 356.A N THR 270.A O no hydrogen 2.834 N/A