Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gdf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 2.A O no hydrogen 3.062 N/A THR 7.A N THR 251.A OG1 no hydrogen 3.072 N/A THR 7.A OG1 ASP 248.A O no hydrogen 2.808 N/A THR 7.A OG1 THR 251.A OG1 no hydrogen 2.744 N/A LYS 8.A NZ ALA 6.A O no hydrogen 3.377 N/A LYS 8.A NZ ASP 248.A OD2 no hydrogen 3.306 N/A GLN 15.A N SER 11.A O no hydrogen 3.056 N/A GLN 15.A NE2 HIS 9.A O no hydrogen 3.022 N/A LEU 16.A N LEU 12.A O no hydrogen 2.928 N/A SER 17.A N LEU 13.A O no hydrogen 2.982 N/A LEU 18.A N MET 45.A O no hydrogen 2.643 N/A LYS 21.A N LEU 18.A O no hydrogen 2.882 N/A LYS 21.A NZ ASP 248.A OD1 no hydrogen 2.862 N/A VAL 22.A N ASP 103.A OD2 no hydrogen 2.599 N/A VAL 23.A N ALA 48.A O no hydrogen 3.144 N/A VAL 24.A N ALA 104.A O no hydrogen 2.965 N/A VAL 25.A N ALA 50.A O no hydrogen 2.929 N/A THR 26.A N ILE 106.A O no hydrogen 3.188 N/A THR 26.A OG1 ILE 106.A O no hydrogen 3.168 N/A LYS 32.A NZ ASP 208.A OD2 no hydrogen 2.592 N/A GLU 37.A N GLY 33.A O no hydrogen 3.337 N/A ALA 38.A N MET 34.A O no hydrogen 3.222 N/A ALA 39.A N GLY 35.A O no hydrogen 3.060 N/A ARG 40.A N ILE 36.A O no hydrogen 2.872 N/A ARG 40.A NH1 PRO 31.A O no hydrogen 3.028 N/A ARG 40.A NH1 GLU 37.A OE2 no hydrogen 2.779 N/A ARG 40.A NH2 PRO 31.A O no hydrogen 3.052 N/A GLY 41.A N GLU 37.A O no hydrogen 2.749 N/A CYS 42.A N ALA 38.A O no hydrogen 2.818 N/A CYS 42.A SG ALA 38.A O no hydrogen 3.318 N/A ALA 43.A N ALA 39.A O no hydrogen 2.683 N/A GLU 44.A N ARG 40.A O no hydrogen 2.852 N/A MET 45.A N CYS 42.A O no hydrogen 3.003 N/A GLY 46.A N ALA 43.A O no hydrogen 2.842 N/A ALA 47.A N CYS 42.A O no hydrogen 3.223 N/A ALA 48.A N LYS 21.A O no hydrogen 3.270 N/A VAL 49.A N LYS 74.A O no hydrogen 3.073 N/A ALA 50.A N VAL 23.A O no hydrogen 3.062 N/A ILE 51.A N LYS 76.A O no hydrogen 3.114 N/A THR 52.A N VAL 25.A O no hydrogen 3.096 N/A THR 52.A OG1 THR 26.A O no hydrogen 2.953 N/A TYR 53.A N TYR 78.A O no hydrogen 2.985 N/A GLU 61.A N ALA 57.A O no hydrogen 2.973 N/A GLU 62.A N GLN 58.A O no hydrogen 3.178 N/A ASN 63.A N GLY 59.A O no hydrogen 3.009 N/A VAL 64.A N ALA 60.A O no hydrogen 2.980 N/A LYS 65.A N GLU 61.A O no hydrogen 3.240 N/A GLU 66.A N GLU 62.A O no hydrogen 2.923 N/A LEU 67.A N ASN 63.A O no hydrogen 2.824 N/A GLU 68.A N VAL 64.A O no hydrogen 3.102 N/A LYS 69.A N LYS 65.A O no hydrogen 3.159 N/A LYS 69.A N GLU 66.A O no hydrogen 3.275 N/A LYS 69.A NZ GLU 66.A OE2 no hydrogen 3.217 N/A THR 70.A N GLU 66.A O no hydrogen 3.072 N/A THR 70.A OG1 GLU 66.A O no hydrogen 2.915 N/A TYR 71.A N LEU 67.A O no hydrogen 3.186 N/A LYS 76.A N VAL 49.A O no hydrogen 3.319 N/A LYS 76.A NZ ASP 98.A OD2 no hydrogen 2.728 N/A TYR 78.A N ILE 51.A O no hydrogen 2.876 N/A TYR 78.A OH ASP 98.A OD2 no hydrogen 2.845 N/A LYS 79.A NZ ALA 54.A O no hydrogen 2.925 N/A LYS 79.A NZ SER 55.A O no hydrogen 3.547 N/A CYS 80.A N TYR 53.A O no hydrogen 2.882 N/A CYS 80.A SG SER 87.A OG no hydrogen 3.694 N/A GLN 81.A N SER 87.A OG no hydrogen 2.762 N/A SER 84.A N GLN 81.A O no hydrogen 2.739 N/A SER 87.A N SER 84.A OG no hydrogen 3.336 N/A CYS 88.A N SER 84.A O no hydrogen 3.322 N/A CYS 88.A SG VAL 82.A O no hydrogen 3.798 N/A CYS 88.A SG SER 84.A O no hydrogen 3.621 N/A GLU 89.A N TYR 85.A O no hydrogen 2.761 N/A LYS 90.A N GLU 86.A O no hydrogen 2.765 N/A LYS 90.A NZ ASP 94.A OD2 no hydrogen 2.924 N/A LEU 91.A N SER 87.A O no hydrogen 2.845 N/A VAL 92.A N CYS 88.A O no hydrogen 2.895 N/A LYS 93.A N GLU 89.A O no hydrogen 3.021 N/A ASP 94.A N LYS 90.A O no hydrogen 2.803 N/A VAL 95.A N LEU 91.A O no hydrogen 3.097 N/A VAL 96.A N VAL 92.A O no hydrogen 3.116 N/A ALA 97.A N LYS 93.A O no hydrogen 3.229 N/A ASP 98.A N ASP 94.A O no hydrogen 2.973 N/A ASP 98.A N VAL 95.A O no hydrogen 2.909 N/A PHE 99.A N VAL 95.A O no hydrogen 2.586 N/A GLY 100.A N VAL 96.A O no hydrogen 2.640 N/A ILE 102.A N HIS 146.A NE2 no hydrogen 2.839 N/A ASP 103.A N VAL 22.A O no hydrogen 2.680 N/A ALA 104.A N VAL 22.A O no hydrogen 3.129 N/A PHE 105.A N SER 154.A O no hydrogen 3.033 N/A ILE 106.A N VAL 24.A O no hydrogen 2.902 N/A ALA 107.A N VAL 156.A O no hydrogen 3.045 N/A ALA 111.A N ASP 132.A OD2 no hydrogen 3.054 N/A SER 115.A OG GLY 116.A O no hydrogen 3.559 N/A GLY 120.A N GLY 116.A O no hydrogen 2.980 N/A ALA 124.A N SER 121.A OG no hydrogen 3.254 N/A TRP 125.A N VAL 122.A O no hydrogen 3.242 N/A ASN 126.A N VAL 122.A O no hydrogen 3.039 N/A HIS 127.A N GLU 123.A O no hydrogen 2.888 N/A VAL 129.A N TRP 125.A O no hydrogen 3.008 N/A GLN 130.A N ASN 126.A O no hydrogen 2.764 N/A GLN 130.A NE2 ASP 83.A O no hydrogen 3.323 N/A VAL 131.A N HIS 127.A O no hydrogen 3.031 N/A ASP 132.A N VAL 128.A O no hydrogen 2.831 N/A LEU 133.A N VAL 129.A O no hydrogen 3.052 N/A ASN 134.A N VAL 129.A O no hydrogen 2.903 N/A ASN 134.A ND2 GLN 130.A OE1 no hydrogen 2.641 N/A THR 136.A OG1 ASP 132.A O no hydrogen 2.593 N/A PHE 137.A N LEU 133.A O no hydrogen 3.043 N/A HIS 138.A N ASN 134.A O no hydrogen 2.735 N/A CYS 139.A N GLY 135.A O no hydrogen 3.073 N/A CYS 139.A SG GLY 135.A O no hydrogen 3.347 N/A ALA 140.A N THR 136.A O no hydrogen 3.009 N/A LYS 141.A N PHE 137.A O no hydrogen 2.814 N/A ALA 142.A N HIS 138.A O no hydrogen 2.865 N/A VAL 143.A N CYS 139.A O no hydrogen 2.957 N/A GLY 144.A N ALA 140.A O no hydrogen 2.797 N/A PHE 147.A N VAL 143.A O no hydrogen 2.769 N/A LYS 148.A N GLY 144.A O no hydrogen 2.800 N/A GLU 149.A N HIS 145.A O no hydrogen 3.184 N/A ARG 150.A N HIS 146.A O no hydrogen 2.901 N/A GLY 151.A N PHE 147.A O no hydrogen 2.687 N/A SER 154.A OG PHE 245.A O no hydrogen 2.554 N/A LEU 155.A N ARG 198.A O no hydrogen 2.822 N/A VAL 156.A N PHE 105.A O no hydrogen 2.923 N/A ILE 157.A N ASN 200.A O no hydrogen 2.946 N/A THR 158.A N ALA 107.A O no hydrogen 3.312 N/A THR 158.A OG1 ALA 107.A O no hydrogen 2.726 N/A THR 158.A OG1 TYR 242.A OH no hydrogen 3.002 N/A ALA 159.A N ILE 202.A O no hydrogen 2.854 N/A SER 160.A OG PRO 204.A O no hydrogen 3.393 N/A MET 161.A N PRO 204.A O no hydrogen 2.923 N/A SER 162.A N SER 160.A OG no hydrogen 3.289 N/A SER 162.A OG ASN 167.A OD1 no hydrogen 2.779 N/A SER 162.A OG GLN 172.A OE1 no hydrogen 3.428 N/A GLY 163.A N SER 160.A O no hydrogen 2.828 N/A HIS 164.A N MET 161.A O no hydrogen 2.879 N/A HIS 164.A NE2 SER 203.A OG no hydrogen 3.075 N/A HIS 164.A NE2 ASP 257.A OD1 no hydrogen 2.866 N/A ILE 165.A N MET 161.A O no hydrogen 2.809 N/A ASN 167.A ND2 TYR 206.A OH no hydrogen 2.795 N/A GLN 170.A NE2 TYR 206.A OH no hydrogen 3.272 N/A ASN 176.A N GLN 172.A O no hydrogen 2.928 N/A VAL 177.A N THR 173.A O no hydrogen 2.594 N/A ALA 178.A N SER 174.A O no hydrogen 3.050 N/A LYS 179.A N TYR 175.A O no hydrogen 2.929 N/A LYS 179.A NZ ALA 109.A O no hydrogen 3.104 N/A LYS 179.A NZ THR 158.A O no hydrogen 2.913 N/A LYS 179.A NZ ALA 159.A O no hydrogen 3.146 N/A ALA 180.A N ASN 176.A O no hydrogen 2.988 N/A GLY 181.A N VAL 177.A O no hydrogen 3.051 N/A CYS 182.A N ALA 178.A O no hydrogen 3.032 N/A CYS 182.A SG ASP 132.A O no hydrogen 3.300 N/A CYS 182.A SG THR 136.A OG1 no hydrogen 3.616 N/A CYS 182.A SG ALA 178.A O no hydrogen 3.605 N/A ILE 183.A N LYS 179.A O no hydrogen 3.047 N/A HIS 184.A N ALA 180.A O no hydrogen 3.234 N/A MET 185.A N GLY 181.A O no hydrogen 2.954 N/A ALA 186.A N CYS 182.A O no hydrogen 3.237 N/A ALA 186.A N ILE 183.A O no hydrogen 3.212 N/A SER 188.A N HIS 184.A O no hydrogen 2.698 N/A LEU 189.A N MET 185.A O no hydrogen 3.018 N/A ALA 190.A N ALA 186.A O no hydrogen 3.027 N/A ASN 191.A N ARG 187.A O no hydrogen 3.328 N/A GLU 192.A N SER 188.A O no hydrogen 3.207 N/A TRP 193.A N LEU 189.A O no hydrogen 2.786 N/A TRP 193.A NE1 GLU 192.A OE2 no hydrogen 3.080 N/A ARG 194.A NH1 ASN 191.A O no hydrogen 2.455 N/A PHE 196.A N TRP 193.A O no hydrogen 3.052 N/A ALA 197.A N TRP 193.A O no hydrogen 2.828 N/A ARG 198.A N GLY 153.A O no hydrogen 3.092 N/A ARG 198.A NH2 SER 247.A O no hydrogen 3.459 N/A VAL 199.A N THR 254.A OG1 no hydrogen 2.955 N/A ASN 200.A N LEU 155.A O no hydrogen 2.913 N/A ASN 200.A ND2 THR 253.A O no hydrogen 3.049 N/A SER 201.A N ALA 256.A O no hydrogen 3.019 N/A SER 201.A OG ASP 257.A OD2 no hydrogen 2.523 N/A ILE 202.A N ILE 157.A O no hydrogen 3.179 N/A SER 203.A N LEU 258.A O no hydrogen 2.847 N/A SER 203.A OG HIS 164.A NE2 no hydrogen 3.075 N/A SER 203.A OG ASP 257.A OD1 no hydrogen 2.906 N/A SER 203.A OG ASP 257.A OD2 no hydrogen 2.845 N/A GLY 205.A N ILE 260.A O no hydrogen 3.186 N/A ASP 208.A N GLY 233.A O no hydrogen 2.807 N/A SER 212.A OG ASP 208.A OD1 no hydrogen 2.707 N/A PHE 214.A N LEU 211.A O no hydrogen 2.987 N/A VAL 215.A N SER 212.A O no hydrogen 3.408 N/A THR 219.A N PRO 216.A O no hydrogen 2.761 N/A GLN 220.A N PRO 216.A O no hydrogen 3.178 N/A TRP 223.A N THR 219.A O no hydrogen 3.310 N/A HIS 224.A N GLN 220.A O no hydrogen 2.817 N/A HIS 224.A NE2 ASP 232.A OD2 no hydrogen 2.762 N/A SER 225.A N GLN 221.A O no hydrogen 3.130 N/A SER 225.A N LEU 222.A O no hydrogen 3.065 N/A SER 225.A OG LEU 222.A O no hydrogen 3.149 N/A MET 226.A N TRP 223.A O no hydrogen 2.698 N/A ILE 227.A N TRP 223.A O no hydrogen 2.928 N/A MET 229.A N GLY 262.A O no hydrogen 3.066 N/A GLY 230.A N ILE 227.A O no hydrogen 2.562 N/A ARG 231.A NH2 GLU 237.A OE2 no hydrogen 3.089 N/A GLY 233.A N TYR 206.A O no hydrogen 2.638 N/A LEU 234.A N GLU 237.A OE2 no hydrogen 2.805 N/A GLU 237.A N LEU 234.A O no hydrogen 2.576 N/A LEU 238.A N ALA 235.A O no hydrogen 2.936 N/A LYS 239.A NZ GLU 37.A OE1 no hydrogen 2.841 N/A TYR 242.A N LEU 238.A O no hydrogen 3.011 N/A TYR 242.A OH THR 158.A OG1 no hydrogen 3.002 N/A VAL 243.A N LYS 239.A O no hydrogen 2.875 N/A TYR 244.A N GLY 240.A O no hydrogen 2.919 N/A PHE 245.A N ALA 241.A O no hydrogen 3.141 N/A ALA 246.A N TYR 242.A O no hydrogen 3.068 N/A ALA 246.A N VAL 243.A O no hydrogen 3.051 N/A SER 247.A N VAL 243.A O no hydrogen 2.765 N/A SER 247.A OG VAL 243.A O no hydrogen 2.907 N/A SER 247.A OG TYR 244.A O no hydrogen 3.416 N/A ALA 249.A N SER 247.A OG no hydrogen 3.350 N/A SER 250.A OG TYR 244.A O no hydrogen 2.726 N/A SER 250.A OG SER 247.A O no hydrogen 3.511 N/A THR 251.A OG1 THR 7.A OG1 no hydrogen 2.744 N/A THR 253.A N SER 250.A O no hydrogen 3.155 N/A THR 253.A OG1 ASN 200.A OD1 no hydrogen 3.450 N/A THR 254.A OG1 VAL 199.A O no hydrogen 3.437 N/A GLY 255.A N VAL 199.A O no hydrogen 2.541 N/A ALA 256.A N ASN 200.A OD1 no hydrogen 3.256 N/A LEU 258.A N SER 201.A O no hydrogen 2.911 N/A ILE 260.A N SER 203.A O no hydrogen 2.946 N/A GLY 263.A N ASP 261.A OD1 no hydrogen 2.927 N/A TYR 264.A N ASP 261.A O no hydrogen 2.944 N/A THR 265.A N ASP 261.A OD2 no hydrogen 2.741 N/A THR 265.A OG1 ASP 261.A OD2 no hydrogen 2.755 N/A THR 266.A N GLY 263.A O no hydrogen 2.978 N/A ARG 267.A N TYR 264.A O no hydrogen 3.430 N/A