Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bgz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 2.A O no hydrogen 3.112 N/A GLN 5.A NE2 PRO 1.A O no hydrogen 2.878 N/A GLN 7.A N ILE 24.A O no hydrogen 2.930 N/A GLY 9.A N SER 22.A O no hydrogen 2.656 N/A LEU 12.A N VAL 20.A O no hydrogen 2.685 N/A GLY 13.A N VAL 20.A O no hydrogen 3.313 N/A GLY 15.A N GLY 18.A O no hydrogen 2.819 N/A GLY 18.A N GLY 15.A O no hydrogen 2.896 N/A SER 19.A N HIS 36.A O no hydrogen 3.048 N/A VAL 20.A N GLY 13.A O no hydrogen 2.807 N/A TYR 21.A N ILE 34.A O no hydrogen 2.820 N/A SER 22.A N PRO 10.A O no hydrogen 2.984 N/A GLY 23.A N VAL 32.A O no hydrogen 2.964 N/A ILE 24.A N GLN 7.A O no hydrogen 3.115 N/A ARG 25.A N LEU 30.A O no hydrogen 2.723 N/A ARG 25.A NH1 ASP 28.A OD1 no hydrogen 3.151 N/A VAL 26.A N GLN 5.A O no hydrogen 3.048 N/A SER 27.A OG ASP 28.A OD1 no hydrogen 3.218 N/A LEU 30.A N ASP 28.A OD1 no hydrogen 3.462 N/A VAL 32.A N GLY 23.A O no hydrogen 3.010 N/A ALA 33.A N LEU 83.A O no hydrogen 2.819 N/A ILE 34.A N TYR 21.A O no hydrogen 2.859 N/A LYS 35.A N LEU 81.A O no hydrogen 2.835 N/A LYS 35.A NZ GLU 52.A OE1 no hydrogen 2.726 N/A LYS 35.A NZ ASP 149.A OD1 no hydrogen 2.864 N/A HIS 36.A N SER 19.A O no hydrogen 2.824 N/A VAL 37.A N PHE 79.A O no hydrogen 2.942 N/A LYS 39.A N ASP 77.A O no hydrogen 2.889 N/A LYS 39.A NZ GLU 74.A OE2 no hydrogen 2.870 N/A LYS 39.A NZ ARG 75.A O no hydrogen 2.866 N/A LYS 39.A NZ PRO 76.A O no hydrogen 3.311 N/A ARG 41.A N GLU 38.A O no hydrogen 2.878 N/A ILE 42.A N LYS 39.A O no hydrogen 3.337 N/A SER 43.A OG ASP 44.A OD1 no hydrogen 3.252 N/A TRP 45.A NE1 ILE 42.A O no hydrogen 3.115 N/A MET 51.A N ASP 44.A O no hydrogen 3.066 N/A VAL 53.A N PRO 50.A O no hydrogen 2.968 N/A VAL 54.A N PRO 50.A O no hydrogen 3.319 N/A LEU 55.A N MET 51.A O no hydrogen 2.744 N/A LEU 56.A N GLU 52.A O no hydrogen 2.817 N/A LYS 57.A N VAL 53.A O no hydrogen 2.884 N/A LYS 58.A N VAL 54.A O no hydrogen 2.997 N/A LYS 58.A NZ CYS 124.A O no hydrogen 3.314 N/A VAL 59.A N LEU 55.A O no hydrogen 3.212 N/A SER 60.A N LYS 57.A O no hydrogen 3.452 N/A SER 61.A OG SER 60.A O no hydrogen 2.544 N/A SER 64.A OG GLU 144.A OE1 no hydrogen 3.039 N/A ILE 67.A N LEU 147.A O no hydrogen 2.974 N/A ARG 68.A N GLU 84.A OE1 no hydrogen 3.220 N/A LEU 70.A N ILE 82.A O no hydrogen 2.672 N/A ASP 71.A N ILE 82.A O no hydrogen 3.133 N/A TRP 72.A N ASP 71.A OD1 no hydrogen 2.760 N/A PHE 73.A N VAL 80.A O no hydrogen 2.800 N/A ARG 75.A N SER 78.A O no hydrogen 2.774 N/A SER 78.A N ARG 75.A O no hydrogen 3.449 N/A PHE 79.A N VAL 37.A O no hydrogen 2.943 N/A VAL 80.A N PHE 73.A O no hydrogen 2.930 N/A LEU 81.A N LYS 35.A O no hydrogen 2.766 N/A ILE 82.A N ASP 71.A O no hydrogen 2.783 N/A LEU 83.A N ALA 33.A O no hydrogen 2.891 N/A GLU 84.A N ARG 68.A O no hydrogen 2.879 N/A ARG 85.A NE VAL 32.A O no hydrogen 2.847 N/A ARG 85.A NH1 GLU 87.A OE1 no hydrogen 3.178 N/A ARG 85.A NH2 GLY 23.A O no hydrogen 2.636 N/A GLN 90.A N ILE 138.A O no hydrogen 3.175 N/A LEU 92.A N ILE 136.A O no hydrogen 2.791 N/A PHE 93.A N ASP 133.A O no hydrogen 3.342 N/A ASP 94.A N ASP 91.A OD1 no hydrogen 2.679 N/A PHE 95.A N ASP 91.A O no hydrogen 2.995 N/A ILE 96.A N LEU 92.A O no hydrogen 2.814 N/A THR 97.A N PHE 93.A O no hydrogen 2.861 N/A THR 97.A OG1 PHE 93.A O no hydrogen 2.777 N/A GLU 98.A N ASP 94.A O no hydrogen 2.989 N/A ARG 99.A N PHE 95.A O no hydrogen 3.088 N/A ARG 99.A NH1 HIS 265.A O no hydrogen 2.647 N/A ARG 99.A NH2 HIS 265.A O no hydrogen 2.983 N/A GLY 100.A N ILE 96.A O no hydrogen 2.785 N/A LEU 102.A N MET 198.A O no hydrogen 2.843 N/A LEU 106.A N GLN 103.A O no hydrogen 2.933 N/A ALA 107.A N GLN 103.A O no hydrogen 3.000 N/A ARG 108.A N GLU 104.A O no hydrogen 2.865 N/A ARG 108.A NH1 TRP 251.A O no hydrogen 3.072 N/A SER 109.A N GLU 105.A O no hydrogen 3.342 N/A SER 109.A OG THR 261.A OG1 no hydrogen 2.622 N/A PHE 110.A N LEU 106.A O no hydrogen 2.934 N/A PHE 111.A N ALA 107.A O no hydrogen 2.753 N/A TRP 112.A N ARG 108.A O no hydrogen 2.877 N/A GLN 113.A N SER 109.A O no hydrogen 3.184 N/A GLN 113.A NE2 GLY 143.A O no hydrogen 2.876 N/A VAL 114.A N PHE 110.A O no hydrogen 3.024 N/A LEU 115.A N PHE 111.A O no hydrogen 2.929 N/A GLU 116.A N TRP 112.A O no hydrogen 2.971 N/A ALA 117.A N GLN 113.A O no hydrogen 3.064 N/A VAL 118.A N VAL 114.A O no hydrogen 2.842 N/A ARG 119.A N LEU 115.A O no hydrogen 2.823 N/A ARG 119.A NH1 GLN 247.A OE1 no hydrogen 3.003 N/A HIS 120.A N GLU 116.A O no hydrogen 2.963 N/A HIS 120.A NE2 VAL 59.A O no hydrogen 2.850 N/A CYS 121.A N ALA 117.A O no hydrogen 3.081 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.415 N/A HIS 122.A N VAL 118.A O no hydrogen 3.025 N/A ASN 123.A N ARG 119.A O no hydrogen 2.871 N/A CYS 124.A N HIS 120.A O no hydrogen 3.069 N/A CYS 124.A N CYS 121.A O no hydrogen 2.966 N/A CYS 124.A SG LYS 58.A O no hydrogen 3.619 N/A CYS 124.A SG HIS 120.A O no hydrogen 3.455 N/A GLY 125.A N HIS 122.A O no hydrogen 3.068 N/A VAL 126.A N CYS 121.A O no hydrogen 2.820 N/A LEU 127.A N ALA 154.A O no hydrogen 2.805 N/A HIS 128.A NE2 ILE 148.A O no hydrogen 2.831 N/A ARG 129.A NE SER 152.A O no hydrogen 2.778 N/A ARG 129.A NH1 ASP 163.A OD1 no hydrogen 3.383 N/A ARG 129.A NH1 ASP 163.A OD2 no hydrogen 3.191 N/A ARG 129.A NH1 TYR 181.A OH no hydrogen 2.970 N/A ARG 129.A NH2 SER 152.A O no hydrogen 3.082 N/A ARG 129.A NH2 GLY 153.A O no hydrogen 3.248 N/A ARG 129.A NH2 ASP 163.A OD2 no hydrogen 3.367 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.005 N/A LYS 132.A NZ GLU 134.A OE1 no hydrogen 2.951 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.702 N/A ASN 135.A N LYS 132.A O no hydrogen 2.966 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.725 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.912 N/A ILE 136.A N ASP 133.A O no hydrogen 3.261 N/A LEU 137.A N LYS 146.A O no hydrogen 2.894 N/A ILE 138.A N GLN 90.A O no hydrogen 2.776 N/A ASP 139.A N GLU 144.A O no hydrogen 2.769 N/A LEU 140.A N PRO 88.A O no hydrogen 3.347 N/A ARG 142.A N ASP 139.A OD2 no hydrogen 3.385 N/A GLY 143.A N ASP 139.A O no hydrogen 2.697 N/A LEU 145.A N GLN 113.A OE1 no hydrogen 2.792 N/A LYS 146.A N LEU 137.A O no hydrogen 2.812 N/A LYS 146.A NZ SER 64.A O no hydrogen 2.507 N/A LYS 146.A NZ GLU 84.A OE2 no hydrogen 3.243 N/A LEU 147.A N GLY 65.A O no hydrogen 2.932 N/A ILE 148.A N ASN 135.A O no hydrogen 2.885 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.288 N/A SER 152.A OG ASP 165.A O no hydrogen 3.270 N/A GLY 153.A N PHE 150.A O no hydrogen 3.070 N/A ALA 154.A N LEU 127.A O no hydrogen 2.834 N/A LEU 156.A N GLY 125.A O no hydrogen 2.690 N/A LYS 157.A N TYR 161.A OH no hydrogen 2.926 N/A TYR 161.A N TYR 181.A O no hydrogen 2.822 N/A TYR 161.A OH LEU 155.A O no hydrogen 2.805 N/A THR 167.A OG1 ASP 130.A OD1 no hydrogen 2.619 N/A ARG 168.A NH1 ASP 208.A OD2 no hydrogen 3.021 N/A TYR 170.A N THR 167.A O no hydrogen 2.989 N/A SER 171.A N ARG 168.A O no hydrogen 2.891 N/A SER 171.A OG ARG 168.A O no hydrogen 2.558 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.761 N/A TRP 175.A N PRO 172.A O no hydrogen 3.157 N/A ILE 176.A N PRO 172.A O no hydrogen 3.236 N/A ARG 177.A N PRO 173.A O no hydrogen 2.841 N/A TYR 178.A N GLU 174.A O no hydrogen 3.120 N/A HIS 179.A N TRP 175.A O no hydrogen 2.846 N/A ARG 180.A N GLU 174.A O no hydrogen 3.376 N/A TYR 181.A N TYR 161.A O no hydrogen 3.248 N/A TYR 181.A OH ASP 163.A O no hydrogen 2.642 N/A SER 185.A OG HIS 182.A O no hydrogen 3.560 N/A ALA 186.A N HIS 182.A O no hydrogen 3.125 N/A ALA 187.A N GLY 183.A O no hydrogen 3.023 N/A VAL 188.A N ARG 184.A O no hydrogen 2.925 N/A TRP 189.A N SER 185.A O no hydrogen 3.098 N/A SER 190.A N ALA 186.A O no hydrogen 3.225 N/A SER 190.A OG ALA 187.A O no hydrogen 2.822 N/A LEU 191.A N ALA 187.A O no hydrogen 2.897 N/A GLY 192.A N VAL 188.A O no hydrogen 2.894 N/A ILE 193.A N TRP 189.A O no hydrogen 3.069 N/A LEU 194.A N SER 190.A O no hydrogen 2.936 N/A LEU 195.A N LEU 191.A O no hydrogen 2.879 N/A TYR 196.A N GLY 192.A O no hydrogen 3.083 N/A TYR 196.A OH PHE 217.A O no hydrogen 2.496 N/A ASP 197.A N ILE 193.A O no hydrogen 2.900 N/A MET 198.A N LEU 194.A O no hydrogen 2.945 N/A VAL 199.A N LEU 195.A O no hydrogen 2.990 N/A CYS 200.A N TYR 196.A O no hydrogen 2.775 N/A GLY 201.A N ASP 197.A O no hydrogen 2.823 N/A ILE 203.A N ASP 202.A OD1 no hydrogen 2.807 N/A GLU 206.A N GLU 210.A OE1 no hydrogen 3.061 N/A HIS 207.A N GLU 210.A OE1 no hydrogen 2.911 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.762 N/A ILE 211.A N HIS 207.A O no hydrogen 3.163 N/A ILE 212.A N ASP 208.A O no hydrogen 3.029 N/A ARG 213.A N GLU 209.A O no hydrogen 2.951 N/A GLY 214.A N GLU 210.A O no hydrogen 2.812 N/A ARG 219.A NH1 ILE 203.A O no hydrogen 3.285 N/A ARG 219.A NH2 ILE 203.A O no hydrogen 3.211 N/A SER 223.A N GLU 104.A OE2 no hydrogen 2.673 N/A SER 223.A OG GLU 104.A OE1 no hydrogen 2.635 N/A SER 223.A OG GLU 104.A OE2 no hydrogen 3.204 N/A CYS 225.A N SER 223.A OG no hydrogen 3.226 N/A GLN 226.A N SER 223.A O no hydrogen 2.979 N/A GLN 226.A NE2 VAL 222.A O no hydrogen 3.192 N/A HIS 227.A ND1 HIS 249.A NE2 no hydrogen 2.793 N/A LEU 228.A N GLU 224.A O no hydrogen 3.090 N/A ILE 229.A N CYS 225.A O no hydrogen 2.946 N/A ARG 230.A N GLN 226.A O no hydrogen 2.921 N/A ARG 230.A NH1 GLN 226.A OE1 no hydrogen 2.836 N/A ARG 230.A NH2 VAL 216.A O no hydrogen 2.632 N/A TRP 231.A N HIS 227.A O no hydrogen 2.880 N/A CYS 232.A N LEU 228.A O no hydrogen 2.991 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.489 N/A LEU 233.A N ILE 229.A O no hydrogen 3.031 N/A ALA 234.A N TRP 231.A O no hydrogen 3.103 N/A ASP 239.A N ARG 236.A O no hydrogen 2.898 N/A ARG 240.A N PRO 237.A O no hydrogen 3.121 N/A ARG 240.A NE ALA 234.A O no hydrogen 2.754 N/A ARG 240.A NH1 GLU 174.A OE2 no hydrogen 2.821 N/A ARG 240.A NH1 SER 185.A O no hydrogen 2.907 N/A ARG 240.A NH2 GLU 174.A OE1 no hydrogen 2.943 N/A ARG 240.A NH2 GLU 174.A OE2 no hydrogen 3.559 N/A ARG 240.A NH2 ALA 234.A O no hydrogen 3.007 N/A THR 242.A N GLU 245.A OE2 no hydrogen 2.974 N/A THR 242.A OG1 GLU 245.A OE2 no hydrogen 3.368 N/A GLU 245.A N THR 242.A OG1 no hydrogen 3.159 N/A ILE 246.A N THR 242.A O no hydrogen 3.012 N/A GLN 247.A N PHE 243.A O no hydrogen 3.052 N/A GLN 247.A NE2 GLU 116.A OE1 no hydrogen 2.777 N/A ASN 248.A N GLU 244.A O no hydrogen 2.876 N/A HIS 249.A N ILE 246.A O no hydrogen 3.173 N/A HIS 249.A NE2 HIS 227.A ND1 no hydrogen 2.793 N/A TRP 251.A N HIS 249.A ND1 no hydrogen 3.089 N/A TRP 251.A NE1 GLU 104.A OE1 no hydrogen 2.599 N/A MET 252.A N HIS 249.A O no hydrogen 2.805 N/A LEU 257.A N GLU 260.A OE2 no hydrogen 2.954 N/A GLN 259.A NE2 ASN 141.A O no hydrogen 3.570 N/A GLN 259.A NE2 GLN 259.A O no hydrogen 3.237 N/A THR 261.A N LEU 257.A O no hydrogen 2.973 N/A THR 261.A OG1 SER 109.A OG no hydrogen 2.622 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.818 N/A ALA 262.A N PRO 258.A O no hydrogen 2.932 N/A GLU 263.A N GLN 259.A O no hydrogen 3.048 N/A ILE 264.A N GLU 260.A O no hydrogen 2.855 N/A HIS 265.A N THR 261.A O no hydrogen 2.922 N/A HIS 265.A NE2 GLU 105.A OE2 no hydrogen 2.765 N/A LEU 266.A N ALA 262.A O no hydrogen 2.862 N/A HIS 267.A N ALA 262.A O no hydrogen 2.675 N/A