Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5b1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N GLU 5.A OE2 no hydrogen 3.061 N/A SER 4.A OG ASP 34.A OD2 no hydrogen 2.469 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.789 N/A LEU 6.A N GLY 3.A O no hydrogen 3.331 N/A ILE 7.A N SER 4.A O no hydrogen 3.165 N/A SER 8.A N TRP 11.A O no hydrogen 2.998 N/A TRP 11.A N SER 8.A O no hydrogen 3.005 N/A PHE 12.A N LEU 26.A O no hydrogen 2.669 N/A ARG 13.A N LEU 6.A O no hydrogen 2.864 N/A GLU 14.A N MET 24.A O no hydrogen 2.881 N/A GLU 15.A N ARG 13.A O no hydrogen 2.777 N/A GLN 18.A N ASN 16.A OD1 no hydrogen 2.889 N/A GLN 18.A NE2 ASN 16.A OD1 no hydrogen 3.034 N/A TRP 19.A N ASN 16.A O no hydrogen 2.995 N/A TRP 19.A NE1 GLU 14.A O no hydrogen 2.902 N/A LEU 26.A N PHE 12.A O no hydrogen 2.964 N/A VAL 28.A N GLY 10.A O no hydrogen 2.810 N/A GLU 29.A N GLU 46.A O no hydrogen 2.770 N/A LYS 30.A N GLU 46.A O no hydrogen 3.338 N/A LEU 32.A N ILE 44.A O no hydrogen 2.841 N/A TYR 33.A N ILE 44.A O no hydrogen 3.113 N/A ALA 35.A N LEU 42.A O no hydrogen 3.084 N/A THR 37.A N GLN 40.A O no hydrogen 2.760 N/A THR 37.A OG1 GLN 40.A O no hydrogen 3.168 N/A THR 37.A OG1 ASP 120.A OD1 no hydrogen 3.372 N/A THR 37.A OG1 ASP 120.A OD2 no hydrogen 2.592 N/A PHE 39.A N THR 37.A OG1 no hydrogen 2.892 N/A GLN 40.A N THR 37.A OG1 no hydrogen 2.910 N/A GLN 40.A NE2 ASP 120.A OD2 no hydrogen 2.875 N/A HIS 41.A N ASP 60.A OD1 no hydrogen 2.826 N/A HIS 41.A NE2 ASP 34.A OD1 no hydrogen 2.645 N/A LEU 42.A N ALA 35.A O no hydrogen 3.038 N/A THR 43.A N ALA 58.A O no hydrogen 2.910 N/A THR 43.A OG1 ASP 34.A OD1 no hydrogen 2.832 N/A ILE 44.A N TYR 33.A O no hydrogen 2.815 N/A PHE 45.A N VAL 56.A O no hydrogen 2.961 N/A GLU 46.A N LYS 30.A O no hydrogen 2.805 N/A SER 47.A N GLY 54.A O no hydrogen 2.916 N/A SER 47.A OG GLY 54.A O no hydrogen 2.712 N/A ASP 48.A N ARG 27.A O no hydrogen 3.227 N/A LYS 50.A N ASP 48.A OD1 no hydrogen 3.044 N/A GLY 51.A N ASP 48.A O no hydrogen 2.857 N/A THR 55.A N ASP 67.A OD2 no hydrogen 2.826 N/A THR 55.A OG1 GLU 46.A OE1 no hydrogen 2.595 N/A THR 55.A OG1 ASP 67.A OD2 no hydrogen 3.188 N/A VAL 56.A N PHE 45.A O no hydrogen 2.813 N/A MET 57.A N VAL 65.A O no hydrogen 3.004 N/A ALA 58.A N THR 43.A O no hydrogen 2.742 N/A LEU 59.A N CYS 62.A O no hydrogen 2.959 N/A ASP 60.A N HIS 41.A O no hydrogen 2.757 N/A CYS 62.A N LEU 59.A O no hydrogen 3.009 N/A CYS 62.A SG ASP 60.A O no hydrogen 3.704 N/A CYS 62.A SG ASP 171.A OD2 no hydrogen 3.580 N/A ILE 63.A N GLU 14.A OE2 no hydrogen 2.726 N/A GLN 64.A N MET 57.A O no hydrogen 2.673 N/A GLN 64.A NE2 CYS 62.A O no hydrogen 3.043 N/A THR 66.A OG1 ASP 69.A OD1 no hydrogen 2.761 N/A ASP 67.A N THR 55.A O no hydrogen 3.060 N/A ASP 69.A N THR 66.A OG1 no hydrogen 3.397 N/A GLU 70.A N THR 66.A O no hydrogen 3.207 N/A VAL 72.A N ASP 69.A O no hydrogen 3.152 N/A TYR 73.A OH ASP 168.A OD1 no hydrogen 2.688 N/A HIS 74.A N GLU 70.A O no hydrogen 3.350 N/A HIS 74.A ND1 GLU 70.A OE2 no hydrogen 2.847 N/A GLU 75.A N PHE 71.A O no hydrogen 2.897 N/A VAL 76.A N VAL 72.A O no hydrogen 2.855 N/A LEU 77.A N TYR 73.A O no hydrogen 2.979 N/A GLY 78.A N HIS 74.A O no hydrogen 2.998 N/A HIS 79.A N GLU 75.A O no hydrogen 2.894 N/A HIS 79.A ND1 HIS 108.A NE2 no hydrogen 2.790 N/A HIS 79.A NE2 GLU 104.A OE1 no hydrogen 2.799 N/A THR 80.A N VAL 76.A O no hydrogen 2.859 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.655 N/A SER 81.A OG LEU 77.A O no hydrogen 2.760 N/A SER 81.A OG GLY 78.A O no hydrogen 3.309 N/A LEU 82.A N GLY 78.A O no hydrogen 3.227 N/A CYS 83.A N HIS 79.A O no hydrogen 2.832 N/A CYS 83.A SG ARG 260.A O no hydrogen 3.458 N/A SER 84.A N SER 81.A O no hydrogen 3.036 N/A SER 84.A OG THR 80.A O no hydrogen 2.753 N/A SER 84.A OG VAL 255.A O no hydrogen 3.392 N/A HIS 85.A N LEU 82.A O no hydrogen 3.151 N/A LYS 87.A N HIS 85.A ND1 no hydrogen 2.967 N/A GLU 89.A N ASP 163.A OD2 no hydrogen 2.819 N/A ARG 90.A N ASP 163.A OD2 no hydrogen 2.968 N/A VAL 91.A N HIS 113.A O no hydrogen 3.028 N/A LEU 92.A N VAL 164.A O no hydrogen 2.906 N/A ILE 93.A N ASP 115.A O no hydrogen 2.798 N/A ILE 94.A N ILE 166.A O no hydrogen 2.897 N/A GLY 95.A N VAL 117.A O no hydrogen 2.776 N/A GLY 96.A N ASP 168.A O no hydrogen 2.960 N/A GLY 97.A N ASP 118.A OD2 no hydrogen 2.802 N/A GLY 99.A N GLY 96.A O no hydrogen 2.877 N/A GLY 100.A N ASP 98.A OD1 no hydrogen 2.891 N/A ARG 103.A N GLY 99.A O no hydrogen 2.850 N/A ARG 103.A NE GLU 104.A OE2 no hydrogen 2.895 N/A ARG 103.A NH1 GLU 70.A OE1 no hydrogen 3.008 N/A ARG 103.A NH1 GLU 70.A OE2 no hydrogen 3.313 N/A ARG 103.A NH1 GLN 133.A O no hydrogen 2.819 N/A ARG 103.A NH2 GLU 70.A OE1 no hydrogen 3.502 N/A ARG 103.A NH2 GLU 70.A OE2 no hydrogen 2.850 N/A ARG 103.A NH2 GLU 104.A OE2 no hydrogen 2.985 N/A GLU 104.A N GLY 100.A O no hydrogen 3.218 N/A VAL 105.A N VAL 101.A O no hydrogen 2.857 N/A LEU 106.A N LEU 102.A O no hydrogen 2.872 N/A ARG 107.A N GLU 104.A O no hydrogen 3.129 N/A ARG 107.A NE GLU 104.A OE1 no hydrogen 2.826 N/A ARG 107.A NH2 GLU 104.A OE2 no hydrogen 3.165 N/A HIS 108.A N VAL 105.A O no hydrogen 3.106 N/A HIS 108.A NE2 HIS 79.A ND1 no hydrogen 2.790 N/A THR 110.A OG1 PRO 88.A O no hydrogen 2.834 N/A VAL 111.A N HIS 108.A O no hydrogen 3.174 N/A GLU 112.A N GLU 89.A O no hydrogen 2.800 N/A HIS 113.A N GLU 89.A O no hydrogen 3.207 N/A HIS 113.A NE2 ASP 115.A OD1 no hydrogen 2.246 N/A CYS 114.A N ARG 142.A O no hydrogen 2.794 N/A CYS 114.A SG VAL 91.A O no hydrogen 3.646 N/A CYS 114.A SG ASP 115.A O no hydrogen 3.670 N/A ASP 115.A N VAL 91.A O no hydrogen 2.843 N/A LEU 116.A N THR 144.A O no hydrogen 2.856 N/A VAL 117.A N ILE 93.A O no hydrogen 2.905 N/A ASP 118.A N ARG 146.A O no hydrogen 3.218 N/A ASP 120.A N ASP 118.A OD1 no hydrogen 2.946 N/A GLU 122.A N ASP 120.A OD1 no hydrogen 3.130 N/A VAL 123.A N ASP 120.A O no hydrogen 3.010 N/A GLU 125.A N GLY 121.A O no hydrogen 3.093 N/A GLN 126.A N GLU 122.A O no hydrogen 2.896 N/A GLN 126.A NE2 GLU 122.A OE2 no hydrogen 2.934 N/A SER 127.A N VAL 123.A O no hydrogen 2.892 N/A SER 127.A OG VAL 123.A O no hydrogen 2.601 N/A LYS 128.A N MET 124.A O no hydrogen 3.038 N/A LYS 128.A NZ GLU 125.A OE2 no hydrogen 2.857 N/A GLN 129.A N GLU 125.A O no hydrogen 3.032 N/A HIS 130.A N GLN 126.A O no hydrogen 2.854 N/A PHE 131.A N SER 127.A O no hydrogen 2.807 N/A ILE 134.A N PHE 131.A O no hydrogen 2.951 N/A SER 135.A N PHE 131.A O no hydrogen 2.895 N/A SER 135.A OG SER 127.A O no hydrogen 2.873 N/A SER 135.A OG PHE 131.A O no hydrogen 2.951 N/A SER 137.A OG GLY 99.A O no hydrogen 2.785 N/A SER 137.A OG ILE 134.A O no hydrogen 2.800 N/A LEU 138.A N SER 135.A O no hydrogen 3.051 N/A ASP 140.A N SER 137.A O no hydrogen 2.994 N/A ARG 142.A N ASP 140.A OD1 no hydrogen 2.827 N/A ARG 142.A NH1 HIS 108.A O no hydrogen 2.974 N/A ARG 142.A NH1 VAL 111.A O no hydrogen 2.773 N/A ARG 142.A NH2 LEU 106.A O no hydrogen 2.874 N/A ALA 143.A N ASP 140.A O no hydrogen 2.904 N/A THR 144.A N CYS 114.A O no hydrogen 2.999 N/A ARG 146.A N LEU 116.A O no hydrogen 2.882 N/A GLY 148.A N ASP 118.A O no hydrogen 2.987 N/A LEU 151.A N ASP 149.A OD1 no hydrogen 3.014 N/A PHE 153.A N ASP 149.A O no hydrogen 3.014 N/A VAL 154.A N GLY 150.A O no hydrogen 2.999 N/A ARG 155.A N LEU 151.A O no hydrogen 3.267 N/A GLN 156.A N ALA 152.A O no hydrogen 3.007 N/A GLN 156.A NE2 ALA 152.A O no hydrogen 3.594 N/A THR 157.A N PHE 153.A O no hydrogen 2.959 N/A THR 157.A OG1 PHE 153.A O no hydrogen 2.825 N/A ASN 160.A N ARG 190.A O no hydrogen 3.074 N/A THR 161.A N ILE 191.A O no hydrogen 2.753 N/A THR 161.A OG1 PRO 158.A O no hydrogen 2.772 N/A TYR 162.A N ILE 191.A O no hydrogen 2.973 N/A TYR 162.A OH ASP 115.A OD2 no hydrogen 2.612 N/A ASP 163.A N ARG 90.A O no hydrogen 2.820 N/A VAL 164.A N ARG 90.A O no hydrogen 3.417 N/A VAL 165.A N ILE 197.A O no hydrogen 3.015 N/A ILE 166.A N LEU 92.A O no hydrogen 2.759 N/A ILE 167.A N CYS 199.A O no hydrogen 2.762 N/A ASP 168.A N ILE 94.A O no hydrogen 2.750 N/A THR 169.A OG1 THR 170.A O no hydrogen 2.905 N/A ALA 173.A N GLN 18.A OE1 no hydrogen 3.277 N/A SER 177.A N GLY 174.A O no hydrogen 3.150 N/A LEU 179.A N ALA 176.A O no hydrogen 2.844 N/A PHE 180.A N SER 177.A O no hydrogen 3.269 N/A GLY 181.A N LYS 178.A O no hydrogen 3.123 N/A TYR 185.A N GLY 181.A O no hydrogen 3.321 N/A LYS 186.A N GLU 182.A O no hydrogen 2.916 N/A ASP 187.A N ALA 183.A O no hydrogen 3.347 N/A VAL 188.A N PHE 184.A O no hydrogen 2.892 N/A LEU 189.A N TYR 185.A O no hydrogen 2.958 N/A ARG 190.A N LYS 186.A O no hydrogen 3.176 N/A ARG 190.A NE ASP 187.A OD1 no hydrogen 3.105 N/A ARG 190.A NH1 THR 157.A O no hydrogen 3.044 N/A ARG 190.A NH1 ASP 187.A OD1 no hydrogen 3.080 N/A ARG 190.A NH2 THR 157.A O no hydrogen 2.826 N/A ARG 190.A NH2 ASP 159.A OD1 no hydrogen 2.848 N/A ILE 191.A N ASP 187.A O no hydrogen 2.870 N/A LEU 192.A N VAL 188.A O no hydrogen 3.264 N/A LEU 192.A N LEU 189.A O no hydrogen 3.345 N/A LYS 193.A N TYR 162.A O no hydrogen 2.831 N/A GLY 196.A N LYS 193.A O no hydrogen 2.846 N/A ILE 197.A N ASP 163.A O no hydrogen 3.024 N/A CYS 198.A N CYS 247.A O no hydrogen 2.901 N/A CYS 199.A N VAL 165.A O no hydrogen 2.952 N/A CYS 199.A SG LEU 77.A O no hydrogen 3.782 N/A ASN 200.A N THR 244.A OG1 no hydrogen 3.202 N/A ASN 200.A ND2 TYR 185.A OH no hydrogen 3.162 N/A GLN 201.A N ILE 167.A O no hydrogen 2.903 N/A GLY 202.A N GLY 243.A O no hydrogen 2.770 N/A SER 204.A N ASP 208.A OD2 no hydrogen 3.161 N/A TRP 206.A N SER 204.A OG no hydrogen 3.026 N/A LEU 207.A N SER 204.A OG no hydrogen 3.228 N/A ASP 208.A N SER 204.A O no hydrogen 2.792 N/A ILE 212.A N ASP 208.A O no hydrogen 2.905 N/A GLU 213.A N LEU 209.A O no hydrogen 2.994 N/A LYS 214.A N GLU 210.A O no hydrogen 3.038 N/A MET 215.A N LEU 211.A O no hydrogen 2.833 N/A SER 216.A N ILE 212.A O no hydrogen 2.896 N/A ARG 217.A N GLU 213.A O no hydrogen 2.980 N/A ARG 217.A NH1 GLU 213.A OE1 no hydrogen 3.381 N/A PHE 218.A N LYS 214.A O no hydrogen 2.934 N/A ILE 219.A N MET 215.A O no hydrogen 2.839 N/A ARG 220.A N SER 216.A O no hydrogen 3.142 N/A ARG 220.A NH2 ILE 292.A O no hydrogen 3.091 N/A GLU 221.A N ARG 217.A O no hydrogen 2.947 N/A THR 222.A N PHE 218.A O no hydrogen 2.874 N/A GLY 223.A N ARG 220.A O no hydrogen 2.964 N/A PHE 224.A N ILE 219.A O no hydrogen 3.218 N/A ALA 225.A N SER 248.A O no hydrogen 2.878 N/A GLN 228.A N VAL 246.A O no hydrogen 2.912 N/A GLN 228.A NE2 VAL 227.A O no hydrogen 3.093 N/A GLN 228.A NE2 ASN 293.A O no hydrogen 3.083 N/A TYR 229.A N ASN 293.A OD1 no hydrogen 2.799 N/A TYR 229.A OH GLU 203.A O no hydrogen 2.669 N/A ALA 230.A N THR 244.A O no hydrogen 2.854 N/A LEU 231.A N SER 282.A O no hydrogen 2.744 N/A MET 232.A N ILE 242.A O no hydrogen 2.905 N/A HIS 233.A N TYR 273.A OH no hydrogen 3.112 N/A VAL 234.A N GLY 240.A O no hydrogen 3.105 N/A THR 236.A N ASP 69.A OD2 no hydrogen 3.217 N/A THR 236.A OG1 ASP 69.A OD1 no hydrogen 3.164 N/A THR 236.A OG1 ASP 69.A OD2 no hydrogen 2.647 N/A TYR 237.A N VAL 234.A O no hydrogen 3.160 N/A TYR 237.A OH GLN 64.A O no hydrogen 2.587 N/A CYS 239.A SG GLN 22.A OE1 no hydrogen 3.511 N/A GLY 240.A N TYR 237.A O no hydrogen 2.795 N/A ILE 242.A N MET 232.A O no hydrogen 3.290 N/A GLY 243.A N GLU 203.A O no hydrogen 3.023 N/A THR 244.A N ALA 230.A O no hydrogen 3.012 N/A THR 244.A OG1 ASN 200.A O no hydrogen 2.706 N/A LEU 245.A N ASN 200.A OD1 no hydrogen 2.844 N/A VAL 246.A N GLN 228.A O no hydrogen 2.775 N/A CYS 247.A N CYS 198.A O no hydrogen 2.792 N/A CYS 247.A SG CYS 198.A O no hydrogen 4.048 N/A CYS 247.A SG LEU 245.A O no hydrogen 3.619 N/A SER 248.A N SER 226.A O no hydrogen 2.952 N/A SER 248.A OG LYS 250.A O no hydrogen 2.733 N/A LYS 249.A N GLY 196.A O no hydrogen 2.936 N/A LYS 249.A NZ LEU 189.A O no hydrogen 2.730 N/A LYS 249.A NZ LEU 192.A O no hydrogen 2.918 N/A THR 256.A N ASP 254.A OD1 no hydrogen 2.914 N/A THR 256.A OG1 ASP 254.A OD1 no hydrogen 2.697 N/A LYS 257.A N ASP 254.A O no hydrogen 3.453 N/A LYS 257.A NZ THR 256.A OG1 no hydrogen 3.204 N/A ARG 260.A N CYS 83.A O no hydrogen 2.955 N/A ARG 260.A NE HIS 85.A O no hydrogen 2.694 N/A ARG 260.A NH2 LEU 82.A O no hydrogen 2.816 N/A ASP 264.A N PRO 261.A O no hydrogen 3.114 N/A MET 265.A N VAL 262.A O no hydrogen 2.955 N/A ALA 268.A N MET 265.A O no hydrogen 3.418 N/A ASP 270.A N PHE 267.A O no hydrogen 2.815 N/A LEU 271.A N ALA 268.A O no hydrogen 3.177 N/A LYS 272.A N GLU 75.A OE2 no hydrogen 2.817 N/A TYR 273.A N GLU 75.A OE1 no hydrogen 2.775 N/A TYR 274.A N GLU 75.A OE1 no hydrogen 2.888 N/A TYR 274.A OH HIS 279.A ND1 no hydrogen 2.699 N/A SER 276.A N GLU 263.A OE2 no hydrogen 2.887 N/A SER 276.A OG GLU 263.A OE1 no hydrogen 2.530 N/A SER 276.A OG GLU 263.A OE2 no hydrogen 3.529 N/A MET 278.A N ASP 275.A OD1 no hydrogen 2.806 N/A HIS 279.A N ASP 275.A O no hydrogen 2.842 N/A HIS 279.A ND1 TYR 274.A OH no hydrogen 2.699 N/A HIS 279.A NE2 VAL 255.A O no hydrogen 2.739 N/A LYS 280.A N SER 276.A O no hydrogen 2.976 N/A LYS 280.A NZ GLU 277.A OE2 no hydrogen 2.743 N/A ALA 281.A N GLU 277.A O no hydrogen 2.906 N/A SER 282.A N MET 278.A O no hydrogen 2.876 N/A SER 282.A N HIS 279.A O no hydrogen 3.256 N/A SER 282.A OG HIS 279.A O no hydrogen 2.823 N/A PHE 283.A N LYS 280.A O no hydrogen 3.432 N/A ALA 284.A N ALA 281.A O no hydrogen 3.002 N/A ALA 289.A N PRO 286.A O no hydrogen 2.861 N/A ARG 290.A N ARG 287.A O no hydrogen 3.197 N/A ILE 292.A N ALA 289.A O no hydrogen 3.080 N/A ASN 293.A N ARG 290.A O no hydrogen 2.920 N/A ASN 293.A ND2 TYR 229.A O no hydrogen 2.984 N/A ASN 293.A ND2 PHE 283.A O no hydrogen 3.236 N/A ASN 294.A N ARG 290.A O no hydrogen 3.072 N/A