Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 VAL 285.A O no hydrogen 2.625 N/A GLU 3.A N THR 306.A O no hydrogen 3.252 N/A PHE 4.A N THR 2.A OG1 no hydrogen 3.174 N/A LEU 5.A N GLN 28.A O no hydrogen 3.049 N/A TYR 6.A OH PRO 262.A O no hydrogen 2.691 N/A THR 7.A N GLN 281.A OE1 no hydrogen 2.716 N/A THR 7.A OG1 TYR 6.A O no hydrogen 2.421 N/A SER 8.A N LEU 5.A O no hydrogen 3.057 N/A SER 8.A OG LYS 9.A O no hydrogen 2.812 N/A LYS 9.A NZ PHE 60.A O no hydrogen 2.723 N/A ALA 11.A N TYR 26.A O no hydrogen 3.145 N/A ILE 13.A N ARG 24.A O no hydrogen 2.967 N/A SER 14.A OG SER 270.A O no hydrogen 2.914 N/A TRP 15.A N GLN 22.A O no hydrogen 3.044 N/A GLY 20.A N ALA 17.A O no hydrogen 2.920 N/A ARG 21.A NE SER 271.A OG no hydrogen 3.087 N/A ARG 21.A NH1 SER 277.A OG no hydrogen 3.055 N/A ARG 21.A NH2 SER 14.A OG no hydrogen 3.298 N/A GLN 22.A N TRP 15.A O no hydrogen 2.983 N/A GLN 23.A N ARG 39.A O no hydrogen 2.696 N/A ARG 24.A N ILE 13.A O no hydrogen 3.072 N/A ARG 24.A NH1 GLN 22.A OE1 no hydrogen 2.759 N/A ARG 24.A NH1 GLN 23.A O no hydrogen 2.952 N/A ARG 24.A NH2 GLN 22.A OE1 no hydrogen 3.362 N/A VAL 25.A N ALA 37.A O no hydrogen 2.958 N/A TYR 26.A N ALA 11.A O no hydrogen 2.834 N/A TYR 26.A OH GLU 36.A OE2 no hydrogen 2.567 N/A PHE 27.A N ARG 35.A O no hydrogen 3.184 N/A GLN 28.A N SER 8.A OG no hydrogen 2.940 N/A GLN 28.A NE2 GLY 32.A O no hydrogen 2.942 N/A GLN 28.A NE2 LYS 58.A O no hydrogen 2.751 N/A ASP 29.A N LYS 33.A O no hydrogen 2.938 N/A LEU 30.A N GLU 3.A O no hydrogen 3.028 N/A ASN 31.A N ASP 29.A OD1 no hydrogen 2.874 N/A GLY 32.A N ASP 29.A O no hydrogen 3.007 N/A LYS 33.A N ASP 29.A OD1 no hydrogen 3.103 N/A LYS 33.A NZ GLU 56.A OE1 no hydrogen 3.104 N/A ILE 34.A N GLY 55.A O no hydrogen 2.754 N/A ARG 35.A N PHE 27.A O no hydrogen 2.793 N/A ARG 35.A NE ASP 29.A OD2 no hydrogen 2.752 N/A ARG 35.A NH1 GLU 3.A OE1 no hydrogen 2.913 N/A ARG 35.A NH1 GLY 48.A O no hydrogen 2.839 N/A ARG 35.A NH2 GLU 3.A OE1 no hydrogen 2.851 N/A ARG 35.A NH2 ASP 29.A OD2 no hydrogen 3.077 N/A GLU 36.A N ASN 52.A O no hydrogen 2.910 N/A ALA 37.A N VAL 25.A O no hydrogen 2.908 N/A GLN 38.A N THR 46.A O no hydrogen 2.859 N/A GLN 38.A NE2 GLU 36.A OE1 no hydrogen 2.871 N/A GLN 38.A NE2 ASN 52.A OD1 no hydrogen 3.688 N/A ARG 39.A N GLN 23.A O no hydrogen 2.834 N/A ARG 39.A NE ASN 43.A O no hydrogen 2.795 N/A ARG 39.A NH2 ASP 42.A O no hydrogen 3.195 N/A ARG 39.A NH2 ASN 43.A O no hydrogen 3.553 N/A GLY 41.A N ARG 21.A O no hydrogen 2.756 N/A ASN 43.A N GLY 40.A O no hydrogen 3.284 N/A ASN 43.A ND2 GLY 40.A O no hydrogen 2.963 N/A TRP 45.A NE1 GLN 289.A OE1 no hydrogen 2.894 N/A THR 46.A N GLN 38.A O no hydrogen 2.870 N/A THR 46.A OG1 GLN 38.A O no hydrogen 3.257 N/A THR 46.A OG1 GLN 38.A OE1 no hydrogen 2.952 N/A GLY 48.A N GLU 36.A O no hydrogen 2.874 N/A GLN 51.A N SER 49.A OG no hydrogen 3.023 N/A ASN 52.A N SER 49.A O no hydrogen 2.789 N/A ASN 52.A ND2 SER 49.A O no hydrogen 3.641 N/A ILE 54.A N ILE 34.A O no hydrogen 2.947 N/A ALA 57.A N GLY 32.A O no hydrogen 3.190 N/A LYS 58.A N VAL 81.A O no hydrogen 2.989 N/A LYS 58.A NZ ASN 85.A OD1 no hydrogen 2.817 N/A LYS 58.A NZ SER 111.A O no hydrogen 2.872 N/A PHE 60.A N GLN 28.A OE1 no hydrogen 2.779 N/A SER 61.A N LYS 58.A O no hydrogen 3.223 N/A SER 61.A OG PRO 62.A O no hydrogen 2.878 N/A SER 61.A OG VAL 81.A O no hydrogen 3.569 N/A ALA 64.A N TYR 79.A O no hydrogen 3.289 N/A VAL 66.A N ARG 77.A O no hydrogen 3.018 N/A THR 67.A OG1 GLN 75.A O no hydrogen 2.738 N/A TRP 68.A N GLN 75.A O no hydrogen 3.151 N/A LYS 69.A NZ ALA 16.A O no hydrogen 3.067 N/A SER 70.A N GLY 73.A O no hydrogen 2.888 N/A SER 70.A OG GLY 73.A O no hydrogen 2.934 N/A GLY 73.A N SER 70.A O no hydrogen 3.080 N/A GLN 75.A N TRP 68.A O no hydrogen 2.885 N/A GLN 75.A NE2 SER 70.A OG no hydrogen 3.112 N/A GLN 75.A NE2 ASP 93.A O no hydrogen 2.940 N/A ILE 76.A N TYR 92.A O no hydrogen 3.059 N/A ARG 77.A N VAL 66.A O no hydrogen 3.009 N/A ARG 77.A NH1 GLN 75.A OE1 no hydrogen 3.004 N/A ARG 77.A NH1 ILE 76.A O no hydrogen 3.054 N/A ARG 77.A NH2 GLN 75.A OE1 no hydrogen 2.954 N/A VAL 78.A N PHE 90.A O no hydrogen 2.914 N/A TYR 79.A N ALA 64.A O no hydrogen 2.844 N/A TYR 79.A OH GLU 89.A OE2 no hydrogen 2.857 N/A CYS 80.A N SER 88.A O no hydrogen 3.210 N/A VAL 81.A N SER 61.A OG no hydrogen 3.007 N/A ASN 82.A N ILE 86.A O no hydrogen 3.142 N/A ASP 84.A N ASN 82.A OD1 no hydrogen 2.826 N/A ASN 85.A N ASN 82.A O no hydrogen 2.779 N/A ILE 86.A N ASN 82.A OD1 no hydrogen 3.110 N/A LEU 87.A N VAL 107.A O no hydrogen 2.867 N/A SER 88.A N CYS 80.A O no hydrogen 2.741 N/A SER 88.A OG ILE 86.A O no hydrogen 2.916 N/A PHE 90.A N VAL 78.A O no hydrogen 2.794 N/A VAL 91.A N ILE 98.A O no hydrogen 2.824 N/A TYR 92.A N ILE 76.A O no hydrogen 2.731 N/A ASP 93.A N LYS 96.A O no hydrogen 3.058 N/A SER 95.A N ASP 93.A OD1 no hydrogen 2.936 N/A SER 95.A OG ASP 93.A OD1 no hydrogen 3.200 N/A LYS 96.A N ASP 93.A OD1 no hydrogen 2.990 N/A LYS 96.A NZ ASP 93.A OD2 no hydrogen 3.029 N/A ILE 98.A N VAL 91.A O no hydrogen 2.823 N/A GLY 100.A N GLU 89.A O no hydrogen 2.775 N/A SER 104.A N GLN 101.A O no hydrogen 3.196 N/A SER 104.A OG GLN 101.A O no hydrogen 2.777 N/A VAL 105.A N LEU 102.A O no hydrogen 3.006 N/A GLY 106.A N GLY 103.A O no hydrogen 2.971 N/A LYS 108.A NZ VAL 109.A O no hydrogen 3.430 N/A VAL 109.A N ASN 85.A O no hydrogen 2.887 N/A GLY 110.A N GLN 135.A O no hydrogen 2.851 N/A ASN 112.A N ASN 138.A OD1 no hydrogen 2.725 N/A SER 113.A N GLY 110.A O no hydrogen 2.983 N/A SER 113.A OG LYS 114.A O no hydrogen 2.783 N/A LYS 114.A NZ ASN 112.A O no hydrogen 3.002 N/A LYS 114.A NZ GLY 165.A O no hydrogen 2.837 N/A ALA 116.A N TYR 133.A O no hydrogen 3.252 N/A LEU 118.A N ARG 131.A O no hydrogen 3.040 N/A TRP 120.A N ASN 129.A O no hydrogen 3.080 N/A SER 123.A N ALA 126.A O no hydrogen 3.132 N/A SER 125.A N SER 123.A OG no hydrogen 3.363 N/A ASN 129.A N TRP 120.A O no hydrogen 3.140 N/A ASN 129.A ND2 TRP 120.A O no hydrogen 3.081 N/A ILE 130.A N TRP 149.A O no hydrogen 3.147 N/A ARG 131.A N LEU 118.A O no hydrogen 2.973 N/A ARG 131.A NH1 GLU 146.A OE2 no hydrogen 2.873 N/A VAL 132.A N TYR 147.A O no hydrogen 2.919 N/A TYR 133.A N ALA 116.A O no hydrogen 2.776 N/A TYR 133.A OH GLU 146.A OE2 no hydrogen 2.760 N/A TYR 134.A N HIS 145.A O no hydrogen 3.122 N/A GLN 135.A N SER 113.A OG no hydrogen 2.933 N/A GLN 135.A NE2 SER 143.A O no hydrogen 3.140 N/A GLN 135.A NE2 THR 162.A OG1 no hydrogen 2.892 N/A SER 137.A OG SER 142.A OG no hydrogen 2.780 N/A ASN 138.A ND2 SER 111.A OG no hydrogen 3.244 N/A GLY 141.A N THR 162.A O no hydrogen 2.639 N/A SER 142.A N GLY 139.A O no hydrogen 3.295 N/A SER 142.A OG SER 137.A OG no hydrogen 2.780 N/A SER 142.A OG GLY 139.A O no hydrogen 2.700 N/A SER 143.A OG HIS 145.A NE2 no hydrogen 3.390 N/A ILE 144.A N PHE 159.A O no hydrogen 2.784 N/A HIS 145.A N TYR 134.A O no hydrogen 2.784 N/A GLU 146.A N ALA 157.A O no hydrogen 2.946 N/A TYR 147.A N VAL 132.A O no hydrogen 2.877 N/A VAL 148.A N THR 154.A O no hydrogen 2.813 N/A TRP 149.A N ILE 130.A O no hydrogen 2.901 N/A SER 150.A N LYS 152.A O no hydrogen 3.443 N/A SER 150.A OG ASN 129.A OD1 no hydrogen 3.210 N/A THR 154.A N VAL 148.A O no hydrogen 2.903 N/A GLY 156.A N GLU 146.A O no hydrogen 2.697 N/A ALA 157.A N GLU 146.A OE1 no hydrogen 2.873 N/A PHE 159.A N ILE 144.A O no hydrogen 2.803 N/A SER 161.A OG GLY 141.A O no hydrogen 3.373 N/A THR 162.A N SER 142.A O no hydrogen 2.831 N/A THR 162.A OG1 SER 142.A O no hydrogen 3.406 N/A THR 162.A OG1 VAL 163.A O no hydrogen 2.875 N/A VAL 163.A N GLN 183.A O no hydrogen 3.097 N/A THR 166.A N VAL 163.A O no hydrogen 3.188 N/A THR 166.A OG1 GLY 167.A O no hydrogen 2.603 N/A GLY 169.A N TYR 181.A O no hydrogen 2.739 N/A THR 171.A N ARG 179.A O no hydrogen 2.905 N/A THR 171.A OG1 SER 218.A OG no hydrogen 2.806 N/A ILE 173.A N ARG 177.A O no hydrogen 2.908 N/A ARG 177.A N GLY 174.A O no hydrogen 2.938 N/A ARG 177.A NE ASP 195.A OD2 no hydrogen 3.059 N/A ARG 177.A NH2 ASP 195.A OD2 no hydrogen 3.341 N/A LEU 178.A N TRP 194.A O no hydrogen 2.807 N/A ARG 179.A N THR 171.A O no hydrogen 2.866 N/A ARG 179.A NH1 LEU 178.A O no hydrogen 3.054 N/A ARG 179.A NH1 ASP 195.A OD2 no hydrogen 3.288 N/A ARG 179.A NH2 ASP 195.A OD2 no hydrogen 3.135 N/A ILE 180.A N HIS 192.A O no hydrogen 2.979 N/A TYR 181.A N GLY 169.A O no hydrogen 2.795 N/A TYR 181.A OH GLU 191.A OE2 no hydrogen 2.740 N/A TYR 182.A N ARG 190.A O no hydrogen 3.220 N/A GLN 183.A N THR 166.A OG1 no hydrogen 2.944 N/A GLN 183.A NE2 ASN 187.A O no hydrogen 2.942 N/A GLN 183.A NE2 SER 209.A O no hydrogen 2.854 N/A ALA 184.A N LYS 188.A O no hydrogen 2.876 N/A ASN 187.A N ALA 184.A O no hydrogen 2.660 N/A LYS 188.A N ASP 186.A OD1 no hydrogen 2.627 N/A ILE 189.A N ALA 206.A O no hydrogen 2.711 N/A ARG 190.A N TYR 182.A O no hydrogen 2.855 N/A HIS 192.A N ILE 180.A O no hydrogen 2.788 N/A CYS 193.A N TYR 200.A O no hydrogen 2.774 N/A TRP 194.A N LEU 178.A O no hydrogen 3.077 N/A TYR 200.A N CYS 193.A O no hydrogen 2.940 N/A TYR 200.A OH ASP 195.A OD1 no hydrogen 2.285 N/A GLY 202.A N GLU 191.A O no hydrogen 2.809 N/A PHE 204.A N GLU 191.A OE1 no hydrogen 3.294 N/A ALA 206.A N ILE 189.A O no hydrogen 3.168 N/A SER 209.A OG GLU 234.A OE1 no hydrogen 2.907 N/A SER 209.A OG GLU 234.A OE2 no hydrogen 3.170 N/A GLY 211.A N GLN 183.A OE1 no hydrogen 2.931 N/A SER 213.A N GLN 230.A O no hydrogen 2.855 N/A ALA 215.A N TYR 228.A O no hydrogen 2.901 N/A ILE 217.A N ARG 226.A O no hydrogen 3.020 N/A SER 218.A OG THR 171.A OG1 no hydrogen 2.806 N/A SER 218.A OG ALA 172.A O no hydrogen 3.390 N/A TRP 219.A N ASN 224.A O no hydrogen 2.870 N/A ASN 224.A N TRP 219.A O no hydrogen 2.737 N/A ASN 224.A ND2 TRP 219.A O no hydrogen 3.248 N/A ILE 225.A N TYR 241.A O no hydrogen 2.989 N/A ARG 226.A N ILE 217.A O no hydrogen 3.016 N/A ARG 226.A NH1 GLU 238.A OE2 no hydrogen 2.729 N/A VAL 227.A N ALA 239.A O no hydrogen 2.939 N/A TYR 228.A N ALA 215.A O no hydrogen 2.808 N/A TYR 228.A OH GLU 238.A OE2 no hydrogen 2.851 N/A TRP 229.A N TYR 237.A O no hydrogen 3.130 N/A GLN 230.A N SER 213.A O no hydrogen 3.029 N/A LYS 231.A NZ ALA 210.A O no hydrogen 3.037 N/A ARG 233.A N SER 260.A OG no hydrogen 2.940 N/A ARG 233.A NH1 SER 260.A O no hydrogen 2.820 N/A GLU 234.A N LYS 231.A O no hydrogen 2.953 N/A TYR 237.A N TRP 229.A O no hydrogen 2.868 N/A GLU 238.A N GLY 249.A O no hydrogen 2.825 N/A ALA 239.A N VAL 227.A O no hydrogen 2.880 N/A ALA 240.A N ASN 246.A OD1 no hydrogen 2.931 N/A TYR 241.A N ILE 225.A O no hydrogen 2.820 N/A GLY 242.A N SER 244.A O no hydrogen 3.208 N/A ASN 246.A N ALA 240.A O no hydrogen 3.011 N/A GLY 249.A N GLU 238.A O no hydrogen 3.070 N/A GLN 250.A NE2 TYR 237.A OH no hydrogen 2.898 N/A ILE 251.A N LEU 236.A O no hydrogen 2.710 N/A SER 255.A N ASP 253.A OD1 no hydrogen 3.155 N/A SER 255.A OG ASP 253.A OD1 no hydrogen 2.894 N/A SER 255.A OG ASP 253.A OD2 no hydrogen 3.205 N/A ARG 256.A N ASP 253.A O no hydrogen 3.009 N/A THR 258.A N GLU 235.A OE2 no hydrogen 2.831 N/A SER 260.A OG GLN 230.A OE1 no hydrogen 3.281 N/A LEU 261.A N GLN 281.A O no hydrogen 3.035 N/A THR 264.A OG1 LEU 261.A O no hydrogen 2.792 N/A ILE 266.A N SER 213.A OG no hydrogen 3.009 N/A ALA 267.A N PHE 279.A O no hydrogen 3.305 N/A ASN 269.A N SER 277.A O no hydrogen 3.042 N/A SER 271.A N ASP 275.A O no hydrogen 3.128 N/A ASP 275.A N SER 271.A O no hydrogen 2.861 N/A SER 277.A N ASN 269.A O no hydrogen 3.237 N/A SER 277.A OG GLN 23.A OE1 no hydrogen 3.100 N/A VAL 278.A N TRP 290.A O no hydrogen 3.110 N/A PHE 279.A N ALA 267.A O no hydrogen 2.716 N/A PHE 280.A N GLN 288.A O no hydrogen 2.810 N/A GLN 281.A NE2 LEU 5.A O no hydrogen 2.855 N/A ALA 282.A N SER 286.A O no hydrogen 2.920 N/A SER 286.A N ALA 282.A O no hydrogen 2.877 N/A SER 286.A OG SER 283.A O no hydrogen 2.805 N/A GLN 288.A N PHE 280.A O no hydrogen 2.883 N/A GLN 288.A NE2 SER 286.A OG no hydrogen 2.990 N/A TRP 290.A N VAL 278.A O no hydrogen 2.731 N/A GLN 291.A N SER 299.A O no hydrogen 2.687 N/A TRP 292.A N ILE 276.A O no hydrogen 3.075 N/A TRP 292.A NE1 SER 294.A OG no hydrogen 3.162 N/A ILE 293.A N GLY 297.A O no hydrogen 3.022 N/A SER 294.A OG ILE 274.A O no hydrogen 3.549 N/A GLY 297.A N ILE 293.A O no hydrogen 2.796 N/A SER 299.A N GLN 291.A O no hydrogen 3.032 N/A GLY 301.A N GLN 289.A O no hydrogen 2.748 N/A VAL 304.A N LEU 287.A O no hydrogen 2.945 N/A TRP 312.A N PRO 309.A O no hydrogen 3.275 N/A