Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iub_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ILE 36.A O no hydrogen 2.809 N/A VAL 5.A N SER 37.A O no hydrogen 2.860 N/A LEU 6.A N ILE 68.A O no hydrogen 2.949 N/A TRP 7.A N TYR 40.A O no hydrogen 2.711 N/A TRP 7.A NE1 GLU 72.A OE1 no hydrogen 2.921 N/A LEU 8.A N ALA 70.A O no hydrogen 2.819 N/A HIS 9.A ND1 GLU 12.A OE1.A no hydrogen 2.919 N/A HIS 9.A ND1 GLU 12.A OE1.B no hydrogen 2.735 N/A HIS 9.A ND1 GLU 12.A OE2.B no hydrogen 2.567 N/A HIS 9.A NE2 ASP 41.A OD1 no hydrogen 2.859 N/A GLY 10.A N GLU 72.A O no hydrogen 2.828 N/A LEU 11.A N ASN 74.A O no hydrogen 2.775 N/A THR 14.A OG1 GLU 12.A OE1.A no hydrogen 2.968 N/A THR 14.A OG1 GLU 12.A OE2.B no hydrogen 2.757 N/A SER 17.A N GLU 72.A OE2 no hydrogen 3.056 N/A SER 17.A OG GLU 72.A OE1 no hydrogen 2.521 N/A GLU 18.A N THR 14.A O no hydrogen 3.187 N/A SER 19.A N CYS 15.A O no hydrogen 2.840 N/A SER 19.A OG PRO 147.A O no hydrogen 2.731 N/A PHE 20.A N CYS 16.A O no hydrogen 2.946 N/A ILE 21.A N SER 17.A O no hydrogen 3.352 N/A ARG 22.A N SER 19.A O no hydrogen 2.865 N/A ARG 22.A NH1 GLU 18.A OE1 no hydrogen 2.895 N/A ARG 22.A NH2 GLU 18.A OE1 no hydrogen 3.271 N/A SER 23.A N PHE 20.A O no hydrogen 3.227 N/A SER 23.A OG PRO 26.A O no hydrogen 2.664 N/A SER 23.A OG THR 153.A OG1 no hydrogen 2.762 N/A ALA 24.A N GLU 150.A OE2 no hydrogen 2.899 N/A VAL 31.A N LEU 27.A O no hydrogen 3.015 N/A VAL 32.A N ALA 28.A O no hydrogen 2.965 N/A LEU 33.A N LYS 29.A O no hydrogen 2.916 N/A SER 34.A N ASP 30.A O no hydrogen 2.898 N/A MET 35.A N VAL 31.A O no hydrogen 2.981 N/A ILE 36.A N VAL 31.A O no hydrogen 2.903 N/A SER 37.A N THR 3.A O no hydrogen 2.895 N/A SER 37.A OG ASP 39.A OD1 no hydrogen 2.593 N/A ASP 39.A N VAL 5.A O no hydrogen 3.064 N/A TYR 40.A OH GLU 53.A OE2 no hydrogen 2.767 N/A THR 43.A N ASP 41.A OD1 no hydrogen 3.278 N/A THR 43.A OG1 ASP 41.A OD1 no hydrogen 3.494 N/A THR 43.A OG1 ASP 42.A OD1.B no hydrogen 3.328 N/A LEU 44.A N ASP 41.A O no hydrogen 3.138 N/A MET 45.A N ASP 41.A O no hydrogen 3.025 N/A ALA 52.A N ALA 48.A O no hydrogen 3.087 N/A GLU 53.A N GLY 49.A O no hydrogen 2.986 N/A ALA 54.A N HIS 50.A O no hydrogen 2.957 N/A ILE 55.A N ALA 52.A O no hydrogen 3.074 N/A LEU 56.A N GLU 53.A O no hydrogen 3.160 N/A GLU 58.A N ALA 54.A O no hydrogen 3.169 N/A ILE 59.A N ILE 55.A O no hydrogen 2.885 N/A MET 60.A N LEU 56.A O no hydrogen 2.940 N/A THR 61.A N GLU 57.A O no hydrogen 3.106 N/A THR 61.A OG1 GLU 57.A O no hydrogen 2.758 N/A LYS 62.A N GLU 58.A O no hydrogen 3.073 N/A TYR 63.A N ILE 59.A O no hydrogen 2.831 N/A GLY 65.A N ASP 101.A O no hydrogen 2.783 N/A ASN 66.A N TYR 63.A O no hydrogen 2.712 N/A ASN 66.A ND2 GLY 65.A O no hydrogen 3.557 N/A TYR 67.A OH VAL 98.A O no hydrogen 2.543 N/A ILE 68.A N PRO 4.A O no hydrogen 2.911 N/A LEU 69.A N ALA 104.A O no hydrogen 3.019 N/A ALA 70.A N LEU 6.A O no hydrogen 2.885 N/A VAL 71.A N ILE 106.A O no hydrogen 2.816 N/A GLU 72.A N LEU 8.A O no hydrogen 2.954 N/A ASN 74.A N LEU 11.A O no hydrogen 2.939 N/A ASN 74.A ND2 CYS 111.A O no hydrogen 2.845 N/A ASN 74.A ND2 GLY 115.A O no hydrogen 2.980 N/A LEU 77.A N GLN 126.A O no hydrogen 3.070 N/A ASN 78.A N THR 125.A O no hydrogen 2.967 N/A ASN 78.A ND2 PRO 124.A O no hydrogen 2.956 N/A GLN 79.A NE2 PRO 124.A O no hydrogen 3.218 N/A GLY 81.A N ASN 78.A O no hydrogen 2.819 N/A MET 82.A N GLN 79.A O no hydrogen 2.820 N/A SER 83.A OG ASN 78.A O no hydrogen 3.550 N/A SER 83.A OG GLN 79.A OE1 no hydrogen 2.769 N/A CYS 84.A N GLY 81.A O no hydrogen 3.329 N/A ILE 86.A N ARG 89.A O no hydrogen 2.854 N/A ARG 89.A N ILE 86.A O no hydrogen 3.088 N/A PHE 91.A N CYS 84.A O no hydrogen 2.812 N/A GLU 93.A N PRO 90.A O no hydrogen 2.974 N/A GLN 94.A NE2 TYR 40.A OH no hydrogen 3.356 N/A LEU 95.A N PHE 91.A O no hydrogen 2.934 N/A LYS 96.A N ILE 92.A O no hydrogen 3.070 N/A TYR 97.A N GLU 93.A O no hydrogen 3.081 N/A TYR 97.A OH GLU 57.A OE1 no hydrogen 2.413 N/A TYR 97.A OH GLU 57.A OE2 no hydrogen 3.217 N/A VAL 98.A N GLN 94.A O no hydrogen 2.951 N/A ALA 99.A N LEU 95.A O no hydrogen 2.889 N/A LYS 100.A N TYR 97.A O no hydrogen 3.417 N/A LYS 100.A NZ ASP 101.A OD2 no hydrogen 2.956 N/A ALA 102.A N ALA 99.A O no hydrogen 3.199 N/A LYS 103.A N TYR 67.A O no hydrogen 2.839 N/A LYS 103.A NZ ASP 163.A OD1 no hydrogen 2.944 N/A ILE 105.A N PRO 138.A O no hydrogen 3.070 N/A ILE 106.A N LEU 69.A O no hydrogen 2.883 N/A SER 107.A N ILE 140.A O no hydrogen 2.787 N/A TRP 108.A N VAL 71.A O no hydrogen 2.854 N/A GLY 109.A N VAL 142.A O no hydrogen 2.764 N/A SER 110.A N GLY 144.A O no hydrogen 2.963 N/A SER 110.A OG CYS 248.A O no hydrogen 2.700 N/A CYS 111.A SG GLN 118.A OE1 no hydrogen 3.725 N/A SER 113.A N GLY 109.A O no hydrogen 3.012 N/A SER 113.A OG SER 107.A O no hydrogen 3.303 N/A SER 113.A OG GLY 109.A O no hydrogen 2.921 N/A TRP 114.A N SER 110.A O no hydrogen 2.828 N/A GLY 115.A N SER 110.A O no hydrogen 2.836 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.803 N/A GLN 118.A NE2 ASN 74.A OD1 no hydrogen 2.990 N/A ALA 119.A N CYS 116.A O no hydrogen 2.972 N/A ALA 120.A N VAL 117.A O no hydrogen 3.032 N/A LYS 121.A N ASP 255.A OD2 no hydrogen 2.918 N/A ASN 123.A N ALA 120.A O no hydrogen 2.801 N/A ASN 123.A ND2 ALA 127.A O no hydrogen 3.064 N/A GLN 126.A N ASN 123.A O no hydrogen 3.016 N/A ALA 127.A N ASN 123.A OD1 no hydrogen 2.825 N/A THR 128.A N PRO 75.A O no hydrogen 3.016 N/A THR 128.A OG1 GLN 126.A O no hydrogen 2.907 N/A VAL 130.A N ALA 112.A O no hydrogen 2.997 N/A LYS 132.A N PRO 129.A O no hydrogen 3.079 N/A VAL 133.A N VAL 130.A O no hydrogen 2.934 N/A ILE 134.A N VAL 130.A O no hydrogen 2.805 N/A LYS 137.A NZ LYS 100.A O no hydrogen 2.779 N/A ILE 140.A N ILE 105.A O no hydrogen 2.851 N/A LYS 141.A N GLY 172.A O no hydrogen 2.905 N/A LYS 141.A NZ GLN 171.A O no hydrogen 2.753 N/A VAL 142.A N SER 107.A O no hydrogen 2.986 N/A GLY 144.A N SER 110.A OG no hydrogen 2.919 N/A VAL 151.A N ILE 148.A O no hydrogen 3.070 N/A MET 152.A N ILE 148.A O no hydrogen 3.146 N/A THR 153.A N ALA 149.A O no hydrogen 3.029 N/A THR 153.A OG1 SER 23.A OG no hydrogen 2.762 N/A THR 153.A OG1 ALA 149.A O no hydrogen 3.347 N/A GLY 154.A N GLU 150.A O no hydrogen 2.818 N/A VAL 155.A N VAL 151.A O no hydrogen 2.924 N/A ILE 156.A N MET 152.A O no hydrogen 3.229 N/A THR 157.A N THR 153.A O no hydrogen 2.796 N/A THR 157.A OG1 THR 153.A O no hydrogen 2.848 N/A TYR 158.A N GLY 154.A O no hydrogen 3.030 N/A MET 159.A N VAL 155.A O no hydrogen 3.029 N/A LEU 160.A N ILE 156.A O no hydrogen 2.929 N/A THR 161.A N THR 157.A O no hydrogen 2.904 N/A THR 161.A OG1 THR 157.A O no hydrogen 2.822 N/A PHE 162.A N TYR 158.A O no hydrogen 2.957 N/A ASP 163.A N MET 159.A O no hydrogen 2.805 N/A ARG 164.A NH1 ASP 163.A O no hydrogen 2.877 N/A ASP 169.A N ARG 173.A O no hydrogen 2.842 N/A GLN 171.A N ASP 169.A OD1 no hydrogen 2.965 N/A GLY 172.A N ASP 169.A O no hydrogen 2.847 N/A ARG 173.A N ASP 169.A OD1 no hydrogen 2.893 N/A ARG 173.A NE ASP 169.A OD2 no hydrogen 2.902 N/A ARG 173.A NH1 GLU 250.A OE2 no hydrogen 3.096 N/A ARG 173.A NH2 ASP 169.A OD2 no hydrogen 3.190 N/A LYS 175.A N GLU 167.A O no hydrogen 2.892 N/A LYS 175.A NZ GLU 167.A OE2 no hydrogen 3.294 N/A PHE 177.A N PRO 174.A O no hydrogen 3.104 N/A TYR 178.A N PRO 174.A O no hydrogen 2.939 N/A TYR 178.A OH PRO 143.A O no hydrogen 2.608 N/A SER 179.A OG LYS 175.A O no hydrogen 3.312 N/A ARG 181.A N ASP 184.A OD2 no hydrogen 3.143 N/A ARG 181.A NH1 PRO 220.A O no hydrogen 2.805 N/A ILE 182.A N THR 222.A O no hydrogen 2.868 N/A HIS 183.A N GLY 219.A O no hydrogen 3.302 N/A ASP 184.A N ARG 181.A O no hydrogen 3.051 N/A ARG 188.A NE TYR 187.A OH no hydrogen 3.029 N/A ARG 188.A NH1 PHE 210.A O no hydrogen 2.815 N/A ARG 188.A NH2 TYR 187.A OH no hydrogen 3.231 N/A ARG 188.A NH2 GLN 240.A O no hydrogen 3.330 N/A ARG 189.A N CYS 186.A O no hydrogen 2.870 N/A ARG 189.A NE ASP 193.A OD1 no hydrogen 3.079 N/A ARG 189.A NH1 HIS 183.A O no hydrogen 2.963 N/A HIS 191.A N ARG 188.A O no hydrogen 2.952 N/A HIS 191.A ND1 GLN 196.A OE1 no hydrogen 2.649 N/A PHE 192.A N ARG 188.A O no hydrogen 3.186 N/A ASP 193.A N ARG 189.A O no hydrogen 2.850 N/A ALA 194.A N PRO 190.A O no hydrogen 3.115 N/A ALA 194.A N HIS 191.A O no hydrogen 3.119 N/A GLY 195.A N PHE 192.A O no hydrogen 3.009 N/A GLN 196.A N HIS 191.A O no hydrogen 2.748 N/A VAL 198.A N CYS 211.A O no hydrogen 2.991 N/A GLU 199.A N ASP 203.A OD2 no hydrogen 2.906 N/A GLU 200.A N ASP 203.A OD2 no hydrogen 3.041 N/A ASP 203.A N GLU 200.A O no hydrogen 3.163 N/A SER 205.A OG PHE 197.A O no hydrogen 3.359 N/A ALA 206.A N ASP 203.A OD1 no hydrogen 2.816 N/A ARG 207.A N ASP 203.A O no hydrogen 3.195 N/A ARG 207.A NE ASP 202.A OD1 no hydrogen 2.842 N/A ARG 207.A NH2 ASP 202.A OD1 no hydrogen 3.414 N/A ARG 207.A NH2 ASP 202.A OD2 no hydrogen 3.017 N/A LYS 208.A N GLU 204.A O no hydrogen 3.182 N/A LYS 208.A N SER 205.A O no hydrogen 3.112 N/A GLY 209.A N ALA 206.A O no hydrogen 3.095 N/A PHE 210.A N SER 205.A O no hydrogen 3.003 N/A CYS 211.A N GLN 196.A O no hydrogen 3.058 N/A LYS 214.A NZ GLU 199.A OE2 no hydrogen 3.152 N/A MET 215.A N LEU 212.A O no hydrogen 2.975 N/A GLY 216.A N TYR 213.A O no hydrogen 3.076 N/A CYS 217.A N LEU 212.A O no hydrogen 3.158 N/A LYS 218.A N CYS 245.A O no hydrogen 2.812 N/A LYS 218.A NZ GLY 216.A O no hydrogen 2.835 N/A LYS 218.A NZ SER 258.A O no hydrogen 3.517 N/A LYS 218.A NZ ASP 261.A O no hydrogen 2.858 N/A THR 221.A N LYS 218.A O no hydrogen 3.068 N/A THR 221.A OG1 LYS 218.A O no hydrogen 3.450 N/A THR 222.A N GLY 219.A O no hydrogen 3.329 N/A THR 222.A OG1 LYS 218.A O no hydrogen 2.700 N/A TYR 223.A N GLU 250.A OE2 no hydrogen 2.893 N/A ASN 224.A N GLN 180.A O no hydrogen 3.223 N/A ALA 225.A N ASN 224.A OD1 no hydrogen 2.787 N/A SER 227.A OG.A ILE 182.A O no hydrogen 2.717 N/A SER 227.A OG.B ILE 182.A O no hydrogen 3.232 N/A THR 228.A N ALA 225.A O no hydrogen 3.235 N/A THR 228.A OG1 ALA 225.A O no hydrogen 3.302 N/A THR 229.A N ALA 225.A O no hydrogen 2.901 N/A ARG 230.A N ALA 225.A O no hydrogen 3.249 N/A ARG 230.A NH1 GLN 240.A OE1 no hydrogen 3.015 N/A TRP 231.A N SER 236.A O no hydrogen 2.859 N/A THR 235.A N TRP 231.A O no hydrogen 2.867 N/A THR 235.A OG1 ASN 232.A O no hydrogen 2.778 N/A SER 236.A OG PHE 237.A O no hydrogen 3.470 N/A SER 236.A OG SER 241.A OG no hydrogen 2.743 N/A SER 241.A N PHE 237.A O no hydrogen 3.074 N/A SER 241.A OG SER 236.A OG no hydrogen 2.743 N/A GLY 242.A N ILE 239.A O no hydrogen 2.909 N/A HIS 243.A N PRO 238.A O no hydrogen 3.146 N/A HIS 243.A ND1 GLY 244.A O no hydrogen 2.811 N/A HIS 243.A NE2 TYR 260.A OH no hydrogen 2.758 N/A SER 249.A OG TYR 223.A O no hydrogen 2.864 N/A GLU 250.A N GLY 247.A O no hydrogen 2.918 N/A PHE 253.A N GLU 250.A O no hydrogen 3.238 N/A ASP 255.A N GLY 252.A O no hydrogen 3.117 N/A TYR 260.A N SER 258.A OG no hydrogen 3.147 N/A TYR 260.A OH HIS 243.A NE2 no hydrogen 2.758 N/A ASP 261.A N SER 258.A O no hydrogen 3.116 N/A