Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ipu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLN 7.A OE1 no hydrogen 3.035 N/A SER 4.A OG GLU 6.A OE1 no hydrogen 3.466 N/A GLN 7.A N SER 4.A OG no hydrogen 3.254 N/A LEU 8.A N SER 4.A O no hydrogen 2.943 N/A GLY 9.A N PRO 5.A O no hydrogen 2.970 N/A MET 10.A N GLU 6.A O no hydrogen 3.052 N/A ILE 11.A N GLN 7.A O no hydrogen 2.875 N/A GLU 12.A N LEU 8.A O no hydrogen 3.094 N/A LYS 13.A N GLY 9.A O no hydrogen 2.950 N/A LEU 14.A N MET 10.A O no hydrogen 3.013 N/A VAL 15.A N ILE 11.A O no hydrogen 3.010 N/A ALA 16.A N GLU 12.A O no hydrogen 2.790 N/A ALA 17.A N LYS 13.A O no hydrogen 2.585 N/A GLN 18.A N LEU 14.A O no hydrogen 2.817 N/A GLN 19.A N VAL 15.A O no hydrogen 3.300 N/A GLN 20.A N ALA 16.A O no hydrogen 2.895 N/A CYS 21.A N ALA 17.A O no hydrogen 2.740 N/A CYS 21.A SG ALA 17.A O no hydrogen 3.091 N/A ASN 22.A N GLN 18.A O no hydrogen 3.107 N/A ARG 23.A N GLN 19.A O no hydrogen 3.419 N/A ARG 24.A N GLN 20.A O no hydrogen 3.286 N/A SER 25.A N ASN 22.A O no hydrogen 3.264 N/A PHE 26.A N ARG 23.A O no hydrogen 3.291 N/A ARG 29.A N SER 25.A O no hydrogen 3.019 N/A ARG 29.A NH2 GLU 60.A OE1 no hydrogen 3.233 N/A LEU 30.A N PHE 26.A O no hydrogen 3.119 N/A LEU 30.A N SER 27.A O no hydrogen 2.889 N/A ARG 31.A N SER 27.A O no hydrogen 3.307 N/A THR 33.A N GLU 52.A OE1 no hydrogen 2.742 N/A ALA 42.A N SER 39.A OG no hydrogen 3.082 N/A ARG 43.A N SER 39.A O no hydrogen 3.274 N/A GLN 44.A N ARG 40.A O no hydrogen 3.147 N/A GLN 44.A N GLU 41.A O no hydrogen 3.149 N/A GLN 45.A N GLU 41.A O no hydrogen 3.147 N/A ARG 46.A N ALA 42.A O no hydrogen 3.209 N/A PHE 47.A N ARG 43.A O no hydrogen 3.356 N/A ALA 48.A N GLN 44.A O no hydrogen 2.692 N/A HIS 49.A N GLN 45.A O no hydrogen 2.825 N/A HIS 49.A ND1 THR 33.A O no hydrogen 2.820 N/A HIS 49.A NE2 TYR 114.A OH no hydrogen 2.698 N/A PHE 50.A N ARG 46.A O no hydrogen 2.961 N/A THR 51.A N PHE 47.A O no hydrogen 3.009 N/A THR 51.A OG1 PHE 47.A O no hydrogen 2.781 N/A THR 51.A OG1 ALA 48.A O no hydrogen 2.918 N/A GLU 52.A N ALA 48.A O no hydrogen 2.969 N/A LEU 53.A N HIS 49.A O no hydrogen 3.061 N/A ALA 54.A N PHE 50.A O no hydrogen 3.113 N/A ILE 55.A N THR 51.A O no hydrogen 2.913 N/A VAL 56.A N GLU 52.A O no hydrogen 3.366 N/A SER 57.A N LEU 53.A O no hydrogen 3.049 N/A VAL 58.A N ALA 54.A O no hydrogen 2.950 N/A GLN 59.A N ILE 55.A O no hydrogen 3.103 N/A GLU 60.A N VAL 56.A O no hydrogen 2.963 N/A ILE 61.A N SER 57.A O no hydrogen 2.790 N/A VAL 62.A N VAL 58.A O no hydrogen 2.928 N/A ASP 63.A N GLN 59.A O no hydrogen 2.981 N/A PHE 64.A N GLU 60.A O no hydrogen 2.897 N/A ALA 65.A N ILE 61.A O no hydrogen 2.996 N/A LYS 66.A N VAL 62.A O no hydrogen 3.099 N/A GLN 67.A N PHE 64.A O no hydrogen 3.152 N/A LEU 68.A N ALA 65.A O no hydrogen 3.065 N/A PHE 71.A N LEU 68.A O no hydrogen 2.940 N/A GLN 73.A N GLY 70.A O no hydrogen 3.330 N/A LEU 74.A N PHE 71.A O no hydrogen 3.288 N/A ARG 76.A NH1 GLN 79.A OE1 no hydrogen 2.822 N/A ASP 78.A N SER 75.A OG no hydrogen 3.099 N/A GLN 79.A N SER 75.A O no hydrogen 2.950 N/A GLN 79.A NE2 LEU 74.A O no hydrogen 2.636 N/A ILE 80.A N ARG 76.A O no hydrogen 3.009 N/A ALA 81.A N GLU 77.A O no hydrogen 3.037 N/A LEU 82.A N ASP 78.A O no hydrogen 2.921 N/A LEU 83.A N GLN 79.A O no hydrogen 3.123 N/A LYS 84.A N ILE 80.A O no hydrogen 2.896 N/A LYS 84.A NZ ILE 235.A O no hydrogen 3.410 N/A SER 86.A N LEU 82.A O no hydrogen 3.026 N/A SER 86.A OG LEU 82.A O no hydrogen 2.739 N/A ALA 87.A N LEU 83.A O no hydrogen 3.037 N/A VAL 90.A N SER 86.A O no hydrogen 2.835 N/A MET 91.A N ALA 87.A O no hydrogen 2.892 N/A LEU 92.A N ILE 88.A O no hydrogen 2.871 N/A LEU 93.A N GLU 89.A O no hydrogen 2.982 N/A GLU 94.A N VAL 90.A O no hydrogen 2.892 N/A THR 95.A N MET 91.A O no hydrogen 2.846 N/A THR 95.A OG1 MET 91.A O no hydrogen 2.819 N/A SER 96.A N LEU 92.A O no hydrogen 2.936 N/A SER 96.A OG LEU 93.A O no hydrogen 2.726 N/A ARG 97.A N LEU 93.A O no hydrogen 3.026 N/A ARG 97.A NH1 GLU 94.A OE1 no hydrogen 3.144 N/A ARG 97.A NH2 ASP 146.A OD1 no hydrogen 3.146 N/A ARG 98.A N THR 95.A O no hydrogen 3.098 N/A ARG 98.A NH1 GLU 94.A O no hydrogen 3.231 N/A ARG 98.A NH1 GLU 94.A OE1 no hydrogen 2.792 N/A ASN 100.A N SER 105.A O no hydrogen 2.765 N/A ASN 100.A ND2 SER 105.A OG no hydrogen 2.709 N/A ASN 100.A ND2 THR 107.A OG1 no hydrogen 3.154 N/A SER 103.A OG SER 105.A OG no hydrogen 2.988 N/A GLU 104.A N PRO 101.A O no hydrogen 3.153 N/A SER 105.A N ASN 100.A O no hydrogen 3.306 N/A SER 105.A OG SER 103.A OG no hydrogen 2.988 N/A SER 105.A OG SER 113.A OG no hydrogen 2.759 N/A ILE 106.A N TYR 114.A O no hydrogen 2.637 N/A THR 107.A N ARG 98.A O no hydrogen 2.977 N/A THR 107.A OG1 SER 113.A OG no hydrogen 2.792 N/A PHE 112.A N LEU 109.A O no hydrogen 3.050 N/A SER 113.A OG SER 105.A OG no hydrogen 2.759 N/A SER 113.A OG THR 107.A OG1 no hydrogen 2.792 N/A TYR 114.A N ILE 106.A O no hydrogen 2.742 N/A TYR 114.A OH HIS 49.A NE2 no hydrogen 2.698 N/A ASN 115.A N ASP 118.A OD2 no hydrogen 3.342 N/A ARG 116.A NH1 GLU 104.A OE1 no hydrogen 2.935 N/A ASP 118.A N ASN 115.A OD1 no hydrogen 3.057 N/A PHE 119.A N ASN 115.A O no hydrogen 3.265 N/A ALA 120.A N ARG 116.A O no hydrogen 3.267 N/A LYS 121.A N GLU 117.A O no hydrogen 2.995 N/A ALA 122.A N ASP 118.A O no hydrogen 2.888 N/A ALA 122.A N PHE 119.A O no hydrogen 3.099 N/A GLY 123.A N ALA 120.A O no hydrogen 3.106 N/A LEU 124.A N PHE 119.A O no hydrogen 3.163 N/A GLN 125.A N GLN 217.A OE1 no hydrogen 2.876 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.854 N/A PHE 128.A N GLN 125.A O no hydrogen 3.004 N/A ILE 129.A N GLN 125.A O no hydrogen 2.993 N/A ASN 130.A N VAL 126.A O no hydrogen 3.074 N/A ILE 132.A N PHE 128.A O no hydrogen 3.168 N/A PHE 133.A N ILE 129.A O no hydrogen 3.153 N/A GLU 134.A N ASN 130.A O no hydrogen 2.914 N/A PHE 135.A N PRO 131.A O no hydrogen 2.948 N/A SER 136.A N ILE 132.A O no hydrogen 2.851 N/A SER 136.A OG ILE 132.A O no hydrogen 2.650 N/A ARG 137.A N PHE 133.A O no hydrogen 2.804 N/A ARG 137.A NE GLU 134.A OE1 no hydrogen 3.139 N/A ARG 137.A NH2 GLU 134.A OE2 no hydrogen 2.722 N/A ALA 138.A N GLU 134.A O no hydrogen 3.033 N/A MET 139.A N PHE 135.A O no hydrogen 2.969 N/A ASN 140.A N SER 136.A O no hydrogen 2.942 N/A GLU 141.A N ARG 137.A O no hydrogen 3.366 N/A LEU 142.A N MET 139.A O no hydrogen 3.071 N/A GLN 143.A N ASN 140.A O no hydrogen 3.058 N/A GLN 143.A NE2 ASN 140.A O no hydrogen 2.777 N/A ASN 145.A N GLU 148.A OE1 no hydrogen 2.967 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 2.942 N/A PHE 149.A N ASN 145.A O no hydrogen 3.229 N/A ALA 150.A N ASP 146.A O no hydrogen 2.935 N/A LEU 151.A N ALA 147.A O no hydrogen 3.085 N/A LEU 152.A N GLU 148.A O no hydrogen 2.846 N/A ILE 153.A N PHE 149.A O no hydrogen 2.879 N/A ALA 154.A N ALA 150.A O no hydrogen 3.038 N/A ILE 155.A N LEU 151.A O no hydrogen 2.853 N/A SER 156.A N LEU 152.A O no hydrogen 2.929 N/A SER 156.A OG GLU 89.A OE1 no hydrogen 2.987 N/A ILE 157.A N ILE 153.A O no hydrogen 2.966 N/A PHE 158.A N ALA 154.A O no hydrogen 2.992 N/A SER 159.A OG SER 156.A O no hydrogen 2.510 N/A ARG 162.A N SER 159.A O no hydrogen 3.338 N/A ARG 162.A NH1 GLU 89.A OE2 no hydrogen 2.800 N/A ARG 162.A NH2 GLU 89.A OE1 no hydrogen 3.159 N/A ARG 162.A NH2 GLU 89.A OE2 no hydrogen 3.380 N/A ARG 162.A NH2 SER 156.A O no hydrogen 2.951 N/A GLN 166.A N ASP 78.A OD1 no hydrogen 2.713 N/A ASP 167.A N ASP 78.A OD2 no hydrogen 2.860 N/A GLN 168.A NE2 ALA 160.A O no hydrogen 2.949 N/A GLN 170.A N ASP 167.A OD1 no hydrogen 3.141 N/A VAL 171.A N ASP 167.A O no hydrogen 3.120 N/A GLU 172.A N GLN 168.A O no hydrogen 3.019 N/A ARG 173.A N LEU 169.A O no hydrogen 2.931 N/A LEU 174.A N GLN 170.A O no hydrogen 2.910 N/A GLN 175.A N VAL 171.A O no hydrogen 3.026 N/A GLN 175.A NE2 ILE 155.A O no hydrogen 3.034 N/A HIS 176.A N GLU 172.A O no hydrogen 2.996 N/A THR 177.A N ARG 173.A O no hydrogen 3.437 N/A THR 177.A OG1 LEU 174.A O no hydrogen 2.758 N/A TYR 178.A OH PRO 69.A O no hydrogen 2.996 N/A VAL 179.A N GLN 175.A O no hydrogen 2.925 N/A GLU 180.A N HIS 176.A O no hydrogen 2.907 N/A ALA 181.A N THR 177.A O no hydrogen 2.992 N/A LEU 182.A N TYR 178.A O no hydrogen 2.989 N/A HIS 183.A N VAL 179.A O no hydrogen 2.833 N/A ALA 184.A N GLU 180.A O no hydrogen 2.927 N/A TYR 185.A N ALA 181.A O no hydrogen 2.815 N/A VAL 186.A N LEU 182.A O no hydrogen 2.845 N/A SER 187.A N HIS 183.A O no hydrogen 3.282 N/A SER 187.A N ALA 184.A O no hydrogen 3.215 N/A SER 187.A OG HIS 183.A O no hydrogen 3.155 N/A ILE 188.A N TYR 185.A O no hydrogen 2.998 N/A HIS 189.A N TYR 185.A O no hydrogen 3.084 N/A HIS 189.A ND1 GLU 148.A OE2 no hydrogen 2.814 N/A HIS 190.A N VAL 186.A O no hydrogen 2.845 N/A ASP 193.A N HIS 190.A O no hydrogen 3.324 N/A LEU 195.A N ASP 193.A OD1 no hydrogen 3.195 N/A MET 196.A N ASP 193.A O no hydrogen 3.131 N/A ARG 199.A N LEU 195.A O no hydrogen 3.002 N/A MET 200.A N MET 196.A O no hydrogen 3.139 N/A LEU 201.A N PHE 197.A O no hydrogen 3.195 N/A MET 202.A N PRO 198.A O no hydrogen 2.773 N/A LYS 203.A N MET 200.A O no hydrogen 3.075 N/A LEU 204.A N LEU 201.A O no hydrogen 3.118 N/A VAL 205.A N MET 202.A O no hydrogen 3.043 N/A LEU 207.A N LYS 203.A O no hydrogen 2.874 N/A ARG 208.A N LEU 204.A O no hydrogen 3.258 N/A ARG 208.A N VAL 205.A O no hydrogen 3.121 N/A ARG 208.A NH1 ASP 161.A OD2 no hydrogen 2.937 N/A ARG 208.A NH2 ASP 161.A OD1 no hydrogen 2.809 N/A ARG 208.A NH2 ASP 161.A OD2 no hydrogen 3.329 N/A LEU 210.A N SER 206.A O no hydrogen 3.055 N/A SER 211.A N LEU 207.A O no hydrogen 2.910 N/A SER 212.A N ARG 208.A O no hydrogen 3.196 N/A VAL 213.A N THR 209.A O no hydrogen 3.088 N/A HIS 214.A N LEU 210.A O no hydrogen 2.877 N/A SER 215.A N SER 211.A O no hydrogen 3.042 N/A SER 215.A OG SER 211.A O no hydrogen 2.890 N/A SER 215.A OG SER 212.A O no hydrogen 3.297 N/A GLU 216.A N SER 212.A O no hydrogen 3.373 N/A GLN 217.A N VAL 213.A O no hydrogen 3.060 N/A GLN 217.A NE2 GLN 217.A O no hydrogen 3.020 N/A VAL 218.A N HIS 214.A O no hydrogen 3.020 N/A PHE 219.A N SER 215.A O no hydrogen 3.064 N/A ALA 220.A N GLU 216.A O no hydrogen 3.015 N/A LEU 221.A N GLN 217.A O no hydrogen 3.199 N/A LEU 223.A N PHE 219.A O no hydrogen 3.448 N/A GLN 224.A N ALA 220.A O no hydrogen 2.865 N/A ASP 225.A N ARG 222.A O no hydrogen 2.839 N/A LYS 226.A N LEU 221.A O no hydrogen 2.803 N/A SER 233.A N PRO 229.A O no hydrogen 2.847 N/A SER 233.A OG ASP 237.A OD2 no hydrogen 2.333 N/A GLU 234.A N PRO 230.A O no hydrogen 2.910 N/A ILE 235.A N LEU 231.A O no hydrogen 3.110 N/A TRP 236.A N LEU 232.A O no hydrogen 2.796 N/A ASP 237.A N SER 233.A O no hydrogen 2.898 N/A