Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bhl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLN 2.A OE1 no hydrogen 2.831 N/A GLN 2.A NE2 ARG 34.A O no hydrogen 2.927 N/A TYR 3.A OH VAL 169.A O no hydrogen 2.572 N/A GLU 5.A N LYS 1.A O no hydrogen 2.883 N/A LEU 6.A N GLN 2.A O no hydrogen 3.019 N/A MET 7.A N TYR 3.A O no hydrogen 2.980 N/A GLN 8.A N LEU 4.A O no hydrogen 2.982 N/A GLN 8.A NE2 ASP 12.A OD1 no hydrogen 2.876 N/A LYS 9.A N GLU 5.A O no hydrogen 2.863 N/A LYS 9.A NZ GLY 30.A O no hydrogen 2.933 N/A VAL 10.A N LEU 6.A O no hydrogen 2.926 N/A LEU 11.A N MET 7.A O no hydrogen 3.123 N/A ASP 12.A N GLN 8.A O no hydrogen 2.790 N/A GLU 13.A N LYS 9.A O no hydrogen 2.855 N/A GLY 14.A N VAL 10.A O no hydrogen 2.732 N/A THR 15.A N SER 27.A O no hydrogen 2.894 N/A LYS 17.A N.A THR 25.A O no hydrogen 2.882 N/A LYS 17.A N.B THR 25.A O no hydrogen 2.883 N/A LYS 17.A NZ.B ASP 204.A OD2 no hydrogen 2.687 N/A ARG 20.A NH1 ILE 263.A OXT no hydrogen 2.904 N/A ARG 20.A NH2 ILE 263.A OXT no hydrogen 3.492 N/A THR 21.A N ASP 19.A OD2 no hydrogen 2.988 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 3.227 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 2.603 N/A THR 21.A OG1 THR 23.A OG1 no hydrogen 2.749 N/A GLY 22.A N ASP 19.A O no hydrogen 2.944 N/A THR 23.A N ASP 19.A OD1 no hydrogen 3.011 N/A THR 23.A N THR 21.A OG1 no hydrogen 3.355 N/A THR 23.A OG1 THR 21.A OG1 no hydrogen 2.749 N/A GLY 24.A N ASP 19.A OD1 no hydrogen 2.860 N/A THR 25.A N LYS 17.A O.A no hydrogen 2.893 N/A THR 25.A N LYS 17.A O.B no hydrogen 2.924 N/A LEU 26.A N LEU 207.A O no hydrogen 2.882 N/A SER 27.A N THR 15.A O no hydrogen 2.879 N/A SER 27.A OG ILE 28.A O no hydrogen 3.522 N/A SER 27.A OG ASP 204.A OD1 no hydrogen 2.796 N/A ILE 28.A N THR 205.A O no hydrogen 2.917 N/A GLY 30.A N GLY 203.A O no hydrogen 3.115 N/A HIS 31.A N GLY 202.A O no hydrogen 3.312 N/A GLN 32.A NE2 THR 201.A OG1 no hydrogen 3.049 N/A MET 33.A N TRP 200.A O no hydrogen 2.929 N/A ARG 34.A NH1 ASP 197.A OD2 no hydrogen 3.004 N/A PHE 35.A N PHE 198.A O no hydrogen 2.845 N/A LEU 37.A N GLY 196.A O no hydrogen 2.876 N/A GLN 38.A NE2 VAL 195.A O no hydrogen 3.079 N/A ASP 39.A N ASN 36.A O no hydrogen 2.936 N/A GLY 40.A N LEU 37.A O no hydrogen 3.373 N/A PHE 41.A N PRO 227.A O no hydrogen 2.830 N/A LEU 43.A N PHE 41.A O no hydrogen 2.833 N/A LYS 47.A NZ PHE 170.A O no hydrogen 2.843 N/A CYS 49.A N TYR 251.A OH no hydrogen 2.950 N/A CYS 49.A SG VAL 44.A O no hydrogen 3.933 N/A CYS 49.A SG LYS 47.A O no hydrogen 3.836 N/A HIS 50.A ND1.A SER 53.A OG no hydrogen 2.901 N/A ARG 52.A NH1.B ASN 74.A O no hydrogen 2.531 N/A ARG 52.A NH2.B ASN 74.A O no hydrogen 2.738 N/A SER 53.A N HIS 50.A ND1.A no hydrogen 3.096 N/A SER 53.A N HIS 50.A O.A no hydrogen 3.206 N/A SER 53.A N HIS 50.A O.B no hydrogen 3.257 N/A SER 53.A OG HIS 50.A ND1.A no hydrogen 2.901 N/A ILE 54.A N HIS 50.A O.A no hydrogen 3.471 N/A ILE 55.A N LEU 51.A O no hydrogen 2.841 N/A HIS 56.A N ARG 52.A O.A no hydrogen 3.046 N/A HIS 56.A N ARG 52.A O.B no hydrogen 3.052 N/A HIS 56.A ND1 TYR 70.A OH no hydrogen 2.937 N/A GLU 57.A N SER 53.A O no hydrogen 2.942 N/A LEU 58.A N ILE 54.A O no hydrogen 3.120 N/A LEU 59.A N ILE 55.A O no hydrogen 2.977 N/A TRP 60.A N HIS 56.A O no hydrogen 2.945 N/A TRP 60.A NE1 ASN 67.A O no hydrogen 2.822 N/A PHE 61.A N GLU 57.A O no hydrogen 2.892 N/A LEU 62.A N LEU 58.A O no hydrogen 2.982 N/A GLN 63.A N LEU 59.A O no hydrogen 2.985 N/A GLY 64.A N PHE 61.A O no hydrogen 2.875 N/A ASP 65.A N TRP 60.A O no hydrogen 3.233 N/A ASN 67.A N ASP 65.A OD1 no hydrogen 2.949 N/A ASN 67.A ND2 ASN 86.A O no hydrogen 2.892 N/A ASN 67.A ND2 ASP 88.A OD1 no hydrogen 2.823 N/A ILE 68.A N GLY 87.A O no hydrogen 2.823 N/A ALA 69.A N ASN 67.A OD1 no hydrogen 2.812 N/A TYR 70.A OH HIS 56.A ND1 no hydrogen 2.937 N/A HIS 72.A N ILE 68.A O no hydrogen 2.882 N/A GLU 73.A N ALA 69.A O no hydrogen 2.869 N/A ASN 74.A N LEU 71.A O no hydrogen 2.991 N/A ASN 75.A N HIS 72.A O no hydrogen 2.957 N/A VAL 76.A N LEU 71.A O no hydrogen 2.815 N/A TRP 79.A NE1 GLU 57.A OE2 no hydrogen 2.837 N/A ASP 80.A N THR 77.A O no hydrogen 3.100 N/A TRP 82.A N TRP 79.A O no hydrogen 3.324 N/A TRP 82.A NE1 ILE 263.A OXT no hydrogen 3.075 N/A ALA 83.A N ASP 80.A O no hydrogen 3.422 N/A ASP 84.A N ASP 88.A O no hydrogen 2.928 N/A ASN 86.A N ASP 84.A OD1 no hydrogen 2.881 N/A GLY 87.A N ASP 84.A O no hydrogen 2.850 N/A ASP 88.A N ASP 84.A OD1 no hydrogen 2.992 N/A LEU 89.A N THR 66.A O no hydrogen 3.006 N/A VAL 92.A N GLY 90.A O no hydrogen 2.784 N/A LYS 95.A NZ GLU 136.A OE1 no hydrogen 2.766 N/A LYS 95.A NZ GLU 136.A OE2 no hydrogen 3.223 N/A GLN 96.A N VAL 92.A O no hydrogen 3.237 N/A GLN 96.A NE2 ASN 133.A OD1 no hydrogen 2.957 N/A TRP 97.A N TYR 93.A O no hydrogen 2.826 N/A ARG 98.A N GLY 94.A O no hydrogen 3.120 N/A ARG 98.A NE ASP 109.A OD1 no hydrogen 3.054 N/A ARG 98.A NE ASP 109.A OD2 no hydrogen 3.371 N/A ARG 98.A NH1 LEU 62.A O no hydrogen 2.873 N/A ARG 98.A NH2 ASP 109.A OD2 no hydrogen 2.867 N/A ALA 99.A N LYS 95.A O no hydrogen 2.774 N/A TRP 100.A N ILE 108.A O no hydrogen 2.979 N/A THR 102.A N ARG 106.A O no hydrogen 2.836 N/A THR 102.A OG1 ARG 106.A O no hydrogen 3.478 N/A GLY 105.A N THR 102.A O no hydrogen 3.146 N/A ARG 106.A N THR 102.A OG1 no hydrogen 3.031 N/A ILE 108.A N TRP 100.A O no hydrogen 2.818 N/A GLN 110.A N TRP 97.A O no hydrogen 2.933 N/A GLN 110.A NE2 GLN 96.A O no hydrogen 2.805 N/A GLN 110.A NE2 SER 130.A O no hydrogen 2.828 N/A ILE 111.A N TRP 97.A O no hydrogen 3.366 N/A THR 112.A N ASP 109.A OD1 no hydrogen 3.132 N/A THR 112.A OG1 ASP 109.A OD2 no hydrogen 2.708 N/A THR 113.A N ASP 109.A O no hydrogen 2.986 N/A THR 113.A OG1 ASP 109.A O no hydrogen 2.777 N/A VAL 114.A N GLN 110.A O no hydrogen 2.938 N/A LEU 115.A N ILE 111.A O no hydrogen 2.998 N/A ASN 116.A N THR 112.A O no hydrogen 2.918 N/A GLN 117.A N THR 113.A O no hydrogen 2.847 N/A GLN 117.A NE2 THR 113.A O no hydrogen 3.509 N/A LEU 118.A N VAL 114.A O no hydrogen 2.820 N/A LYS 119.A N LEU 115.A O no hydrogen 3.045 N/A ASN 120.A N ASN 116.A O no hydrogen 2.932 N/A ASP 121.A N GLN 117.A O no hydrogen 2.741 N/A SER 124.A N ASP 121.A O no hydrogen 2.954 N/A ARG 126.A N SER 124.A OG no hydrogen 3.020 N/A VAL 129.A N PHE 149.A O no hydrogen 2.914 N/A SER 130.A N GLN 110.A OE1 no hydrogen 2.903 N/A ALA 131.A N ALA 147.A O no hydrogen 2.913 N/A TRP 132.A N SER 130.A OG no hydrogen 3.039 N/A ASN 133.A N ALA 131.A O no hydrogen 2.929 N/A GLU 136.A N ASN 133.A O no hydrogen 2.922 N/A LEU 137.A N VAL 134.A O no hydrogen 3.449 N/A LYS 139.A N GLU 136.A O no hydrogen 3.012 N/A LYS 139.A NZ GLU 136.A OE2 no hydrogen 3.397 N/A MET 140.A N LEU 137.A O no hydrogen 3.097 N/A ALA 141.A N LEU 89.A O no hydrogen 2.894 N/A CYS 145.A N TYR 93.A OH no hydrogen 2.810 N/A HIS 146.A ND1 TYR 180.A OH no hydrogen 2.624 N/A ALA 147.A N TYR 163.A O no hydrogen 3.113 N/A PHE 149.A N VAL 129.A O no hydrogen 2.874 N/A GLN 150.A N GLN 161.A O no hydrogen 2.885 N/A PHE 151.A N ILE 127.A O no hydrogen 2.858 N/A TYR 152.A N SER 159.A O no hydrogen 3.001 N/A ALA 154.A N LYS 157.A O.A no hydrogen 3.143 N/A ALA 154.A N LYS 157.A O.B no hydrogen 3.095 N/A LYS 157.A N.A ALA 154.A O no hydrogen 2.984 N/A LYS 157.A N.B ALA 154.A O no hydrogen 2.997 N/A LYS 157.A NZ.A GLN 38.A OE1 no hydrogen 3.386 N/A LEU 158.A N GLU 194.A O no hydrogen 2.845 N/A SER 159.A N TYR 152.A O no hydrogen 2.813 N/A CYS 160.A N ASP 197.A O no hydrogen 2.981 N/A CYS 160.A SG GLN 150.A O no hydrogen 3.676 N/A GLN 161.A N GLN 150.A O no hydrogen 2.817 N/A LEU 162.A N VAL 199.A O no hydrogen 2.968 N/A TYR 163.A N PHE 148.A O no hydrogen 2.805 N/A GLN 164.A N THR 201.A O no hydrogen 2.847 N/A GLN 164.A NE2 SER 166.A O no hydrogen 3.088 N/A GLN 164.A NE2 ASN 176.A OD1 no hydrogen 2.916 N/A ARG 165.A N CYS 145.A O no hydrogen 2.936 N/A ARG 165.A NE PRO 144.A O no hydrogen 2.745 N/A ARG 165.A NH2 ALA 143.A O no hydrogen 2.913 N/A CYS 167.A N ASP 204.A O no hydrogen 2.952 N/A VAL 169.A N HIS 206.A O no hydrogen 2.887 N/A LEU 171.A N ASP 168.A OD1 no hydrogen 3.105 N/A GLY 172.A N ASP 168.A O no hydrogen 2.866 N/A LEU 173.A N ASP 168.A O no hydrogen 3.028 N/A ASN 176.A N GLY 172.A O no hydrogen 2.935 N/A ILE 177.A N LEU 173.A O no hydrogen 2.923 N/A ALA 178.A N PRO 174.A O no hydrogen 3.205 N/A SER 179.A N PHE 175.A O no hydrogen 2.859 N/A TYR 180.A N ASN 176.A O no hydrogen 3.137 N/A TYR 180.A OH HIS 146.A ND1 no hydrogen 2.624 N/A ALA 181.A N ILE 177.A O no hydrogen 2.965 N/A LEU 182.A N ALA 178.A O no hydrogen 2.928 N/A LEU 183.A N SER 179.A O no hydrogen 2.965 N/A VAL 184.A N TYR 180.A O no hydrogen 2.896 N/A HIS 185.A N ALA 181.A O no hydrogen 3.095 N/A HIS 185.A ND1 ALA 181.A O no hydrogen 3.257 N/A MET 186.A N LEU 182.A O no hydrogen 2.929 N/A MET 187.A N.A LEU 183.A O no hydrogen 2.834 N/A MET 187.A N.B LEU 183.A O no hydrogen 2.880 N/A ALA 188.A N VAL 184.A O no hydrogen 2.794 N/A GLN 189.A N.A HIS 185.A O no hydrogen 2.922 N/A GLN 189.A N.B HIS 185.A O no hydrogen 2.923 N/A GLN 189.A NE2.A ARG 233.A O no hydrogen 3.074 N/A GLN 189.A NE2.A TYR 241.A OH no hydrogen 2.477 N/A GLN 190.A N MET 186.A O no hydrogen 3.061 N/A GLN 190.A NE2 PRO 235.A O no hydrogen 2.985 N/A GLN 190.A NE2 TYR 241.A OH no hydrogen 3.024 N/A CYS 191.A N MET 187.A O.A no hydrogen 3.135 N/A CYS 191.A N MET 187.A O.B no hydrogen 3.003 N/A CYS 191.A N ALA 188.A O no hydrogen 3.148 N/A CYS 191.A SG MET 187.A O.A no hydrogen 3.352 N/A CYS 191.A SG MET 187.A O.B no hydrogen 3.416 N/A ASP 192.A N GLN 189.A O.A no hydrogen 3.196 N/A ASP 192.A N GLN 189.A O.B no hydrogen 3.349 N/A LEU 193.A N ALA 188.A O no hydrogen 2.890 N/A GLU 194.A N GLY 156.A O no hydrogen 2.912 N/A GLY 196.A N LEU 158.A O no hydrogen 2.733 N/A ASP 197.A N SER 159.A OG no hydrogen 2.957 N/A PHE 198.A N PHE 35.A O no hydrogen 2.852 N/A VAL 199.A N CYS 160.A O no hydrogen 2.788 N/A TRP 200.A N MET 33.A O no hydrogen 2.827 N/A TRP 200.A NE1 GLN 164.A OE1 no hydrogen 2.869 N/A THR 201.A N LEU 162.A O no hydrogen 2.914 N/A THR 201.A OG1 GLN 161.A OE1 no hydrogen 2.689 N/A GLY 202.A N HIS 31.A O no hydrogen 2.977 N/A GLY 203.A N GLN 164.A O no hydrogen 2.811 N/A ASP 204.A N ARG 165.A O no hydrogen 3.019 N/A THR 205.A N ILE 28.A O no hydrogen 2.883 N/A THR 205.A OG1 GLY 203.A O no hydrogen 3.088 N/A HIS 206.A N CYS 167.A O no hydrogen 2.912 N/A HIS 206.A ND1 ASP 204.A OD1 no hydrogen 2.949 N/A LEU 207.A N LEU 26.A O no hydrogen 2.877 N/A SER 209.A N.A GLY 24.A O no hydrogen 2.895 N/A SER 209.A N.B GLY 24.A O no hydrogen 2.913 N/A SER 209.A OG.A THR 23.A O no hydrogen 3.070 N/A SER 209.A OG.A GLY 24.A O no hydrogen 2.642 N/A SER 209.A OG.B THR 23.A O no hydrogen 2.706 N/A SER 209.A OG.B GLY 24.A O no hydrogen 3.173 N/A HIS 211.A N TYR 208.A O no hydrogen 2.929 N/A HIS 211.A NE2 PRO 260.A O no hydrogen 2.768 N/A GLN 214.A NE2 ASN 210.A O no hydrogen 3.405 N/A THR 215.A N HIS 211.A O no hydrogen 2.941 N/A THR 215.A OG1 HIS 211.A O no hydrogen 2.821 N/A HIS 216.A N MET 212.A O no hydrogen 2.983 N/A LEU 217.A N.A ASP 213.A O no hydrogen 3.066 N/A LEU 217.A N.B ASP 213.A O no hydrogen 3.047 N/A GLN 218.A N GLN 214.A O no hydrogen 2.940 N/A GLN 218.A NE2 THR 46.A OG1 no hydrogen 2.875 N/A LEU 219.A N THR 215.A O no hydrogen 2.919 N/A SER 220.A N LEU 217.A O.A no hydrogen 2.974 N/A SER 220.A N LEU 217.A O.B no hydrogen 3.272 N/A SER 220.A OG LEU 217.A O.A no hydrogen 2.666 N/A SER 220.A OG LEU 217.A O.B no hydrogen 2.725 N/A ARG 221.A N GLN 218.A O no hydrogen 3.068 N/A ARG 221.A NH1 THR 46.A O no hydrogen 2.885 N/A ARG 221.A NH1 PRO 255.A O no hydrogen 2.851 N/A ARG 224.A N THR 45.A OG1 no hydrogen 2.861 N/A ARG 224.A NH1 ASP 252.A O no hydrogen 2.943 N/A LYS 228.A N GLU 249.A O no hydrogen 2.801 N/A LYS 228.A NZ ASP 39.A O no hydrogen 2.987 N/A ILE 230.A N GLU 247.A O no hydrogen 2.835 N/A LYS 232.A N ASP 245.A O no hydrogen 2.811 N/A ARG 233.A NE ASP 245.A OD1 no hydrogen 2.933 N/A ARG 233.A NE ASP 245.A OD2 no hydrogen 3.316 N/A ARG 233.A NH2 ASP 240.A O no hydrogen 2.853 N/A ARG 233.A NH2 ASP 245.A OD2 no hydrogen 2.810 N/A LYS 234.A NZ ASP 192.A OD1 no hydrogen 3.286 N/A LYS 234.A NZ ASP 192.A OD2 no hydrogen 3.565 N/A PHE 239.A N SER 237.A OG no hydrogen 2.914 N/A ASP 240.A N SER 237.A O no hydrogen 3.087 N/A ARG 242.A N ASP 245.A OD2 no hydrogen 2.811 N/A ARG 242.A NE GLU 244.A OE2.B no hydrogen 3.386 N/A ASP 245.A N ARG 242.A O no hydrogen 2.906 N/A PHE 246.A N PHE 243.A O no hydrogen 3.397 N/A GLU 247.A N ILE 230.A O no hydrogen 2.876 N/A GLU 249.A N LYS 228.A O no hydrogen 2.814 N/A TYR 251.A OH VAL 44.A O no hydrogen 2.636 N/A HIS 254.A N THR 45.A O no hydrogen 2.847 N/A HIS 254.A NE2 GLU 222.A O no hydrogen 2.751 N/A