Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N VAL 1.A O no hydrogen 2.832 N/A PHE 6.A N LEU 2.A O no hydrogen 2.869 N/A SER 7.A N ALA 3.A O no hydrogen 3.126 N/A ASP 8.A N GLY 4.A O no hydrogen 2.945 N/A ILE 9.A N GLU 5.A O no hydrogen 2.969 N/A GLN 10.A N PHE 6.A O no hydrogen 2.991 N/A ALA 11.A N SER 7.A O no hydrogen 2.957 N/A CYS 12.A N ASP 8.A O no hydrogen 3.122 N/A CYS 12.A SG ASP 8.A O no hydrogen 3.507 N/A SER 13.A N ILE 9.A O no hydrogen 3.156 N/A ALA 14.A N GLN 10.A O no hydrogen 2.976 N/A ALA 15.A N ALA 11.A O no hydrogen 2.978 N/A TRP 16.A N CYS 12.A O no hydrogen 2.969 N/A LYS 17.A N SER 13.A O no hydrogen 3.255 N/A ALA 18.A N ALA 14.A O no hydrogen 3.134 N/A ASP 19.A N ALA 15.A O no hydrogen 2.820 N/A GLY 20.A N TRP 16.A O no hydrogen 3.057 N/A CYS 21.A SG LYS 244.A O no hydrogen 3.933 N/A SER 22.A N GLN 45.A OE1 no hydrogen 3.011 N/A SER 22.A OG ASP 44.A OD2 no hydrogen 2.741 N/A VAL 24.A N ASP 44.A OD2 no hydrogen 2.652 N/A ALA 25.A N ASP 44.A OD1 no hydrogen 2.974 N/A SER 27.A N VAL 24.A O no hydrogen 3.046 N/A SER 27.A OG THR 23.A O no hydrogen 2.806 N/A ARG 28.A N VAL 24.A O no hydrogen 3.212 N/A ARG 28.A N ALA 25.A O no hydrogen 3.261 N/A ARG 28.A NE GLU 30.A OE1 no hydrogen 3.018 N/A ARG 28.A NH2 GLU 30.A OE2 no hydrogen 3.058 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.758 N/A ASN 31.A N ARG 28.A O no hydrogen 2.806 N/A ASN 31.A ND2 ALA 25.A O no hydrogen 2.874 N/A VAL 32.A N ARG 28.A O no hydrogen 2.981 N/A LYS 34.A N ASN 31.A O no hydrogen 2.759 N/A LYS 34.A NZ ASN 31.A OD1 no hydrogen 3.031 N/A ASN 35.A N VAL 32.A O no hydrogen 3.262 N/A ASN 35.A ND2 GLY 26.A O no hydrogen 3.085 N/A ARG 36.A N GLN 80.A OE1 no hydrogen 2.809 N/A ARG 36.A NE GLY 81.A O no hydrogen 2.875 N/A ARG 36.A NH2 GLY 81.A O no hydrogen 3.008 N/A ARG 36.A NH2 PRO 82.A O no hydrogen 2.784 N/A TYR 37.A OH SER 205.A OG no hydrogen 2.735 N/A VAL 40.A N TYR 37.A O no hydrogen 3.188 N/A ASP 44.A N SER 22.A O no hydrogen 2.917 N/A THR 46.A N TYR 43.A O no hydrogen 3.379 N/A THR 46.A OG1 GLN 245.A O no hydrogen 2.821 N/A ARG 47.A N ASP 44.A O no hydrogen 3.453 N/A ARG 47.A NH1 ASP 60.A OD1 no hydrogen 3.500 N/A ARG 47.A NH1 ASP 60.A OD2 no hydrogen 3.036 N/A ARG 47.A NH2 ASP 60.A OD1 no hydrogen 3.233 N/A VAL 48.A N GLY 64.A O no hydrogen 3.052 N/A LEU 50.A N ASP 60.A O no hydrogen 2.929 N/A SER 51.A N GLU 96.A OE1 no hydrogen 2.784 N/A SER 51.A N GLU 96.A OE2 no hydrogen 3.449 N/A SER 51.A OG GLU 96.A OE2 no hydrogen 2.808 N/A LEU 52.A N GLU 96.A OE1 no hydrogen 3.143 N/A GLN 54.A N SER 51.A O no hydrogen 3.044 N/A GLU 56.A N LEU 53.A O no hydrogen 2.905 N/A GLY 57.A N GLN 54.A O no hydrogen 2.670 N/A TYR 61.A N SER 59.A OG no hydrogen 3.014 N/A TYR 61.A OH ASN 35.A OD1 no hydrogen 2.545 N/A ASN 63.A ND2 ASN 35.A OD1 no hydrogen 3.209 N/A ASN 63.A ND2 VAL 40.A O no hydrogen 2.797 N/A ASN 65.A N ALA 78.A O no hydrogen 2.759 N/A ASN 65.A ND2 TYR 43.A O no hydrogen 2.998 N/A ASN 65.A ND2 THR 46.A OG1 no hydrogen 2.988 N/A PHE 66.A N THR 46.A O no hydrogen 2.835 N/A ILE 67.A N TYR 76.A O no hydrogen 2.876 N/A ARG 68.A N GLN 245.A OE1 no hydrogen 2.807 N/A ARG 68.A NH1 GLY 72.A O no hydrogen 2.900 N/A GLY 69.A N SER 73.A O no hydrogen 2.772 N/A GLY 72.A N GLY 69.A O no hydrogen 2.975 N/A SER 73.A N ASP 71.A OD1 no hydrogen 3.037 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.738 N/A SER 73.A OG ASP 71.A OD2 no hydrogen 3.421 N/A TYR 76.A N ILE 67.A O no hydrogen 3.035 N/A TYR 76.A OH ASP 218.A OD2 no hydrogen 2.499 N/A ILE 77.A N LEU 200.A O no hydrogen 2.855 N/A ALA 78.A N ASN 65.A O no hydrogen 2.809 N/A THR 79.A N VAL 202.A O no hydrogen 3.117 N/A THR 79.A OG1 ASN 63.A O no hydrogen 2.662 N/A GLN 80.A N ASN 63.A O no hydrogen 3.358 N/A GLN 80.A NE2 LYS 34.A O no hydrogen 2.867 N/A GLY 81.A N SER 205.A O no hydrogen 2.830 N/A LEU 83.A N THR 86.A OG1 no hydrogen 2.959 N/A HIS 85.A NE2 ARG 33.A O no hydrogen 2.852 N/A THR 86.A N LEU 83.A O no hydrogen 3.021 N/A PHE 90.A N THR 86.A O no hydrogen 2.910 N/A TRP 91.A N LEU 87.A O no hydrogen 3.094 N/A TRP 91.A NE1 TYR 119.A O no hydrogen 3.148 N/A ARG 92.A N LEU 88.A O no hydrogen 2.949 N/A ARG 92.A NE LEU 52.A O no hydrogen 3.046 N/A ARG 92.A NH1 SER 59.A O no hydrogen 2.882 N/A ARG 92.A NH1 ASP 89.A OD1 no hydrogen 3.018 N/A ARG 92.A NH2 LEU 52.A O no hydrogen 2.767 N/A ARG 92.A NH2 SER 59.A O no hydrogen 3.098 N/A LEU 93.A N ASP 89.A O no hydrogen 2.958 N/A VAL 94.A N PHE 90.A O no hydrogen 3.022 N/A TRP 95.A N TRP 91.A O no hydrogen 2.858 N/A GLU 96.A N ARG 92.A O no hydrogen 2.854 N/A PHE 97.A N LEU 93.A O no hydrogen 3.236 N/A GLY 98.A N TRP 95.A O no hydrogen 3.197 N/A VAL 99.A N VAL 94.A O no hydrogen 3.024 N/A LYS 100.A NZ GLU 198.A OE1 no hydrogen 2.599 N/A ILE 102.A N TYR 163.A O no hydrogen 2.762 N/A LEU 103.A N CYS 201.A O no hydrogen 2.698 N/A MET 104.A N LEU 165.A O no hydrogen 2.774 N/A ALA 105.A N HIS 203.A O no hydrogen 2.985 N/A CYS 106.A SG ARG 107.A O no hydrogen 3.865 N/A ARG 107.A N GLU 110.A OE2 no hydrogen 2.803 N/A GLU 110.A N ARG 113.A O no hydrogen 3.080 N/A ARG 113.A N GLU 110.A O no hydrogen 3.069 N/A LYS 114.A NZ CYS 116.A O no hydrogen 3.348 N/A LYS 114.A NZ GLU 117.A OE2 no hydrogen 3.053 N/A ARG 115.A N GLU 108.A O no hydrogen 2.719 N/A ARG 115.A NE GLU 110.A O no hydrogen 3.485 N/A ARG 115.A NH1 TYR 37.A OH no hydrogen 2.736 N/A ARG 115.A NH2 ASN 111.A OD1 no hydrogen 3.301 N/A CYS 116.A N GLU 108.A O no hydrogen 3.436 N/A CYS 116.A SG GLU 117.A O no hydrogen 3.468 N/A GLU 117.A N PRO 82.A O no hydrogen 2.983 N/A ARG 118.A NH1 TRP 120.A O no hydrogen 2.956 N/A TYR 119.A OH HIS 203.A NE2 no hydrogen 2.654 N/A GLU 125.A N GLN 122.A O no hydrogen 2.746 N/A LEU 127.A N ILE 134.A O no hydrogen 2.780 N/A GLN 128.A NE2 GLY 130.A O no hydrogen 2.812 N/A THR 129.A N PHE 132.A O no hydrogen 2.931 N/A PHE 132.A N THR 129.A O no hydrogen 2.759 N/A CYS 133.A N THR 154.A O no hydrogen 2.896 N/A ILE 134.A N LEU 127.A O no hydrogen 2.687 N/A THR 135.A N LYS 152.A O no hydrogen 2.799 N/A ILE 137.A N THR 150.A O no hydrogen 2.851 N/A LYS 138.A N THR 150.A O no hydrogen 3.370 N/A LYS 138.A NZ THR 150.A OG1 no hydrogen 2.960 N/A LYS 140.A N LEU 148.A O no hydrogen 2.981 N/A LEU 142.A N ILE 146.A O no hydrogen 2.882 N/A ASP 145.A N ASN 143.A OD1 no hydrogen 2.911 N/A ILE 146.A N ASN 143.A O no hydrogen 3.071 N/A MET 147.A N GLN 166.A O no hydrogen 3.081 N/A LEU 148.A N LYS 140.A O no hydrogen 2.738 N/A ARG 149.A N GLN 164.A O no hydrogen 2.776 N/A ARG 149.A NE GLU 139.A OE2 no hydrogen 3.458 N/A ARG 149.A NH1 GLN 164.A OE1 no hydrogen 2.749 N/A ARG 149.A NH1 GLN 166.A OE1 no hydrogen 2.933 N/A ARG 149.A NH2 GLN 166.A OE1 no hydrogen 3.362 N/A THR 150.A N LYS 138.A O no hydrogen 2.753 N/A LEU 151.A N VAL 162.A O no hydrogen 2.830 N/A LYS 152.A N THR 135.A O no hydrogen 2.744 N/A LYS 152.A NZ SER 159.A OG no hydrogen 3.076 N/A VAL 153.A N ARG 160.A O no hydrogen 2.897 N/A THR 154.A N CYS 133.A O no hydrogen 2.923 N/A THR 154.A OG1 SER 159.A OG no hydrogen 2.966 N/A PHE 155.A N GLU 158.A O no hydrogen 2.993 N/A GLU 158.A N PHE 155.A O no hydrogen 3.040 N/A SER 159.A OG THR 154.A OG1 no hydrogen 2.966 N/A ARG 160.A N VAL 153.A O no hydrogen 2.951 N/A ARG 160.A NE GLU 158.A OE2 no hydrogen 3.302 N/A ARG 160.A NH1 TRP 95.A O no hydrogen 2.824 N/A ARG 160.A NH2 GLU 158.A OE2 no hydrogen 3.438 N/A VAL 162.A N LEU 151.A O no hydrogen 2.968 N/A TYR 163.A N LYS 100.A O no hydrogen 2.859 N/A GLN 164.A N ARG 149.A O no hydrogen 2.908 N/A GLN 164.A NE2 TYR 119.A OH no hydrogen 2.963 N/A LEU 165.A N ILE 102.A O no hydrogen 2.869 N/A GLN 166.A N MET 147.A O no hydrogen 2.967 N/A GLN 166.A NE2 CYS 106.A O no hydrogen 3.138 N/A TYR 167.A N MET 104.A O no hydrogen 2.776 N/A TYR 167.A OH SER 178.A O no hydrogen 2.908 N/A MET 168.A N ASP 145.A O no hydrogen 2.790 N/A SER 169.A OG ASP 145.A OD1 no hydrogen 2.931 N/A TRP 170.A NE1 GLY 174.A O no hydrogen 2.921 N/A GLY 174.A N PRO 171.A O no hydrogen 3.116 N/A SER 177.A N SER 169.A O no hydrogen 3.010 N/A SER 178.A N TYR 167.A OH no hydrogen 2.922 N/A HIS 181.A N SER 178.A OG no hydrogen 3.051 N/A HIS 181.A ND1 ASP 145.A OD2 no hydrogen 2.528 N/A MET 182.A N SER 178.A O no hydrogen 3.110 N/A LEU 183.A N PRO 179.A O no hydrogen 3.252 N/A ALA 184.A N ASP 180.A O no hydrogen 3.013 N/A MET 185.A N HIS 181.A O no hydrogen 2.968 N/A VAL 186.A N MET 182.A O no hydrogen 3.125 N/A GLU 187.A N LEU 183.A O no hydrogen 2.894 N/A GLU 188.A N ALA 184.A O no hydrogen 2.962 N/A ALA 189.A N MET 185.A O no hydrogen 2.854 N/A ARG 190.A N VAL 186.A O no hydrogen 2.981 N/A ARG 190.A NE ASP 218.A OD1 no hydrogen 2.849 N/A ARG 190.A NH2 ASP 218.A OD2 no hydrogen 2.861 N/A ARG 191.A N GLU 187.A O no hydrogen 3.073 N/A ARG 191.A NE GLU 188.A OE1 no hydrogen 3.208 N/A ARG 191.A NE GLU 188.A OE2 no hydrogen 3.459 N/A ARG 191.A NH2 GLU 188.A OE2 no hydrogen 2.870 N/A LEU 192.A N GLU 188.A O no hydrogen 2.963 N/A GLN 193.A N ALA 189.A O no hydrogen 2.780 N/A GLN 193.A NE2 GLY 196.A O no hydrogen 3.280 N/A GLN 193.A NE2 GLU 198.A O no hydrogen 2.734 N/A GLY 194.A N ARG 190.A O no hydrogen 2.991 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.845 N/A LEU 200.A N ALA 75.A O no hydrogen 2.883 N/A CYS 201.A N VAL 101.A O no hydrogen 3.065 N/A VAL 202.A N ILE 77.A O no hydrogen 2.788 N/A HIS 203.A N LEU 103.A O no hydrogen 2.928 N/A HIS 203.A ND1 SER 204.A O no hydrogen 3.110 N/A HIS 203.A NE2 TYR 119.A OH no hydrogen 2.654 N/A SER 204.A OG THR 211.A OG1 no hydrogen 2.685 N/A SER 205.A OG TYR 37.A OH no hydrogen 2.735 N/A SER 205.A OG ARG 115.A O no hydrogen 2.677 N/A GLY 207.A N SER 204.A OG no hydrogen 3.021 N/A CYS 208.A SG PRO 247.A O no hydrogen 3.351 N/A ARG 210.A NH1 GLU 110.A OE1 no hydrogen 3.291 N/A ARG 210.A NH1 GLU 110.A OE2 no hydrogen 2.885 N/A ARG 210.A NH1 TRP 170.A O no hydrogen 2.721 N/A ARG 210.A NH2 GLU 110.A OE1 no hydrogen 3.024 N/A THR 211.A OG1 SER 204.A OG no hydrogen 2.685 N/A GLY 212.A N CYS 208.A O no hydrogen 2.744 N/A VAL 213.A N GLY 209.A O no hydrogen 2.959 N/A LEU 214.A N ARG 210.A O no hydrogen 3.170 N/A CYS 215.A N THR 211.A O no hydrogen 3.036 N/A CYS 215.A SG THR 211.A O no hydrogen 3.343 N/A THR 216.A N GLY 212.A O no hydrogen 2.899 N/A THR 216.A OG1 GLY 212.A O no hydrogen 2.914 N/A VAL 217.A N VAL 213.A O no hydrogen 2.969 N/A ASP 218.A N LEU 214.A O no hydrogen 3.015 N/A TYR 219.A N CYS 215.A O no hydrogen 2.849 N/A VAL 220.A N THR 216.A O no hydrogen 2.996 N/A ARG 221.A N VAL 217.A O no hydrogen 2.945 N/A GLN 222.A N ASP 218.A O no hydrogen 2.820 N/A LEU 223.A N TYR 219.A O no hydrogen 2.961 N/A LEU 224.A N VAL 220.A O no hydrogen 2.928 N/A LEU 225.A N ARG 221.A O no hydrogen 2.861 N/A THR 226.A N GLN 222.A O no hydrogen 2.844 N/A THR 226.A OG1 GLN 222.A O no hydrogen 2.624 N/A GLN 227.A N LEU 223.A O no hydrogen 2.939 N/A PHE 233.A N PRO 230.A O no hydrogen 3.023 N/A ASP 237.A N SER 234.A OG no hydrogen 3.061 N/A VAL 238.A N SER 234.A O no hydrogen 3.153 N/A VAL 239.A N LEU 235.A O no hydrogen 2.967 N/A LEU 240.A N PHE 236.A O no hydrogen 2.923 N/A LYS 241.A N ASP 237.A O no hydrogen 3.015 N/A MET 242.A N VAL 238.A O no hydrogen 2.933 N/A ARG 243.A N VAL 239.A O no hydrogen 2.908 N/A ARG 243.A NE VAL 250.A O no hydrogen 3.146 N/A ARG 243.A NH1 SER 13.A OG no hydrogen 2.983 N/A ARG 243.A NH2 VAL 250.A O no hydrogen 3.008 N/A LYS 244.A N LEU 240.A O no hydrogen 3.039 N/A LYS 244.A N LYS 241.A O no hydrogen 3.263 N/A GLN 245.A N MET 242.A O no hydrogen 2.935 N/A GLN 245.A NE2 LYS 241.A O no hydrogen 2.793 N/A ARG 246.A N MET 242.A O no hydrogen 2.952 N/A ARG 246.A NE GLY 207.A O no hydrogen 2.899 N/A ARG 246.A NH1 ASN 63.A OD1 no hydrogen 2.964 N/A ARG 246.A NH1 ASN 65.A OD1 no hydrogen 2.741 N/A ARG 246.A NH2 ASN 63.A OD1 no hydrogen 2.935 N/A ARG 246.A NH2 ALA 206.A O no hydrogen 2.906 N/A ALA 249.A N ARG 246.A O no hydrogen 3.092 N/A GLN 251.A N GLN 255.A OE1 no hydrogen 2.978 N/A GLN 255.A NE2 GLY 174.A O no hydrogen 3.245 N/A TYR 256.A N THR 252.A O no hydrogen 2.903 N/A TYR 256.A OH GLU 5.A OE2 no hydrogen 2.709 N/A ARG 257.A N GLU 253.A O no hydrogen 2.865 N/A ARG 257.A NE GLU 253.A OE2 no hydrogen 2.870 N/A ARG 257.A NH2 GLU 253.A OE2 no hydrogen 2.766 N/A PHE 258.A N GLU 254.A O no hydrogen 2.901 N/A LEU 259.A N GLN 255.A O no hydrogen 2.873 N/A TYR 260.A N TYR 256.A O no hydrogen 3.063 N/A TYR 260.A OH GLU 5.A OE2 no hydrogen 2.777 N/A HIS 261.A N ARG 257.A O no hydrogen 3.097 N/A THR 262.A N PHE 258.A O no hydrogen 2.921 N/A THR 262.A OG1 PHE 258.A O no hydrogen 2.885 N/A VAL 263.A N LEU 259.A O no hydrogen 2.842 N/A ALA 264.A N TYR 260.A O no hydrogen 2.894 N/A GLN 265.A N HIS 261.A O no hydrogen 2.968 N/A MET 266.A N THR 262.A O no hydrogen 2.933 N/A PHE 267.A N VAL 263.A O no hydrogen 2.926 N/A CYS 268.A N ALA 264.A O no hydrogen 2.829 N/A CYS 268.A SG GLN 265.A O no hydrogen 3.834 N/A CYS 268.A SG MET 266.A O no hydrogen 3.600 N/A