Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a7f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N LEU 2.A O no hydrogen 3.069 N/A GLN 6.A N SER 80.A O no hydrogen 2.646 N/A ALA 10.A N ASN 7.A O no hydrogen 2.628 N/A GLU 13.A N ASP 11.A OD2 no hydrogen 2.848 N/A GLU 14.A N ASP 11.A O no hydrogen 2.366 N/A LEU 15.A N ASP 11.A O no hydrogen 2.933 N/A PHE 16.A N PRO 12.A O no hydrogen 2.813 N/A THR 17.A N ILE 34.A O no hydrogen 2.860 N/A THR 17.A OG1 ASN 36.A OD1 no hydrogen 2.640 N/A LEU 19.A N LYS 32.A O no hydrogen 2.790 N/A GLU 20.A N GLU 20.A OE2 no hydrogen 3.009 N/A ILE 22.A N VAL 30.A O no hydrogen 2.800 N/A GLY 25.A N GLY 28.A O no hydrogen 3.323 N/A GLU 29.A N ILE 46.A O no hydrogen 3.318 N/A VAL 30.A N GLY 23.A O no hydrogen 3.067 N/A PHE 31.A N ILE 44.A O no hydrogen 2.805 N/A LYS 32.A N GLU 20.A O no hydrogen 2.848 N/A GLY 33.A N VAL 42.A O no hydrogen 2.832 N/A ILE 34.A N THR 17.A O no hydrogen 2.825 N/A ASP 35.A N LYS 40.A O no hydrogen 2.866 N/A ASN 36.A N LEU 15.A O no hydrogen 2.789 N/A ASN 36.A ND2 GLU 14.A O no hydrogen 3.257 N/A ARG 37.A N ASP 35.A OD1 no hydrogen 2.837 N/A THR 38.A N ASP 35.A OD1 no hydrogen 3.126 N/A GLN 39.A N ASP 35.A O no hydrogen 2.789 N/A LYS 40.A N THR 38.A OG1 no hydrogen 3.165 N/A VAL 42.A N GLY 33.A O no hydrogen 2.790 N/A ALA 43.A N MET 91.A O no hydrogen 2.796 N/A ILE 44.A N PHE 31.A O no hydrogen 2.728 N/A LYS 45.A N ILE 89.A O no hydrogen 2.884 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 3.116 N/A LYS 45.A NZ GLU 62.A OE2 no hydrogen 3.165 N/A ILE 46.A N GLU 29.A O no hydrogen 2.920 N/A ILE 47.A N LEU 87.A O no hydrogen 2.940 N/A LEU 49.A N THR 85.A O no hydrogen 2.913 N/A GLU 50.A N ASP 48.A OD1 no hydrogen 3.082 N/A GLU 51.A N ASP 48.A O no hydrogen 3.237 N/A ALA 52.A N LEU 49.A O no hydrogen 3.312 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.431 N/A ASP 58.A N GLU 55.A O no hydrogen 2.366 N/A ILE 59.A N GLU 55.A O no hydrogen 2.966 N/A GLN 60.A N ILE 56.A O no hydrogen 2.800 N/A GLN 61.A N GLU 57.A O no hydrogen 2.930 N/A GLU 62.A N ASP 58.A O no hydrogen 2.871 N/A ILE 63.A N ILE 59.A O no hydrogen 3.033 N/A THR 64.A N GLN 60.A O no hydrogen 3.006 N/A THR 64.A OG1 GLN 60.A O no hydrogen 2.896 N/A VAL 65.A N GLN 61.A O no hydrogen 2.951 N/A LEU 66.A N GLU 62.A O no hydrogen 2.955 N/A SER 67.A N ILE 63.A O no hydrogen 2.852 N/A SER 67.A OG THR 64.A O no hydrogen 2.748 N/A GLN 68.A N THR 64.A O no hydrogen 3.175 N/A GLN 68.A N VAL 65.A O no hydrogen 3.030 N/A CYS 69.A N LEU 66.A O no hydrogen 3.114 N/A CYS 69.A SG VAL 65.A O no hydrogen 3.458 N/A ASP 70.A N TYR 126.A OH no hydrogen 2.880 N/A TYR 73.A N SER 71.A OG no hydrogen 2.989 N/A VAL 74.A N SER 71.A O no hydrogen 3.323 N/A THR 75.A N LEU 152.A O no hydrogen 2.962 N/A LYS 76.A N GLU 92.A OE2 no hydrogen 2.921 N/A TYR 77.A OH PRO 3.A O no hydrogen 2.441 N/A TYR 77.A OH SER 80.A OG no hydrogen 2.927 N/A TYR 78.A N ILE 90.A O no hydrogen 2.765 N/A SER 80.A N GLY 4.A O no hydrogen 2.970 N/A SER 80.A OG TYR 77.A OH no hydrogen 2.927 N/A TYR 81.A N TRP 88.A O no hydrogen 2.843 N/A LYS 83.A N LYS 86.A O no hydrogen 2.760 N/A LYS 83.A NZ ASP 11.A OD1 no hydrogen 3.213 N/A LYS 83.A NZ ASP 11.A OD2 no hydrogen 2.986 N/A THR 85.A OG1 ASP 48.A OD1 no hydrogen 3.535 N/A LYS 86.A N LYS 83.A O no hydrogen 2.818 N/A LEU 87.A N ILE 47.A O no hydrogen 2.773 N/A TRP 88.A N TYR 81.A O no hydrogen 2.690 N/A ILE 89.A N LYS 45.A O no hydrogen 2.786 N/A ILE 90.A N GLY 79.A O no hydrogen 2.904 N/A MET 91.A N ALA 43.A O no hydrogen 2.730 N/A GLU 92.A N LYS 76.A O no hydrogen 2.941 N/A GLY 96.A N LEU 144.A O no hydrogen 2.724 N/A SER 98.A N ASP 101.A OD1 no hydrogen 3.007 N/A ALA 99.A N VAL 142.A O no hydrogen 2.809 N/A LEU 100.A N ALA 139.A O no hydrogen 3.321 N/A ASP 101.A N SER 98.A OG no hydrogen 3.115 N/A LEU 102.A N SER 98.A O no hydrogen 3.102 N/A LEU 103.A N LEU 100.A O no hydrogen 3.198 N/A GLU 104.A N ASP 101.A O no hydrogen 2.955 N/A GLY 106.A N LEU 103.A O no hydrogen 3.124 N/A ASP 109.A N GLN 112.A OE1 no hydrogen 2.934 N/A THR 111.A OG1 ASN 262.A O no hydrogen 3.529 N/A GLN 112.A N ASP 109.A OD2 no hydrogen 2.789 N/A ILE 113.A N ASP 109.A O no hydrogen 2.935 N/A ALA 114.A N GLU 110.A O no hydrogen 2.882 N/A THR 115.A N THR 111.A O no hydrogen 2.894 N/A THR 115.A OG1 THR 111.A O no hydrogen 2.749 N/A THR 115.A OG1 LYS 264.A O no hydrogen 3.442 N/A ILE 116.A N GLN 112.A O no hydrogen 2.999 N/A LEU 117.A N ILE 113.A O no hydrogen 2.918 N/A ARG 118.A N ALA 114.A O no hydrogen 2.872 N/A ARG 118.A NE GLU 119.A OE1 no hydrogen 2.912 N/A ARG 118.A NH2 GLU 119.A OE1 no hydrogen 3.078 N/A ARG 118.A NH2 LYS 264.A O no hydrogen 2.894 N/A GLU 119.A N THR 115.A O no hydrogen 3.106 N/A ILE 120.A N ILE 116.A O no hydrogen 2.954 N/A LEU 121.A N LEU 117.A O no hydrogen 2.880 N/A LYS 122.A N ARG 118.A O no hydrogen 2.978 N/A LYS 122.A NZ GLU 119.A OE1 no hydrogen 2.854 N/A GLY 123.A N GLU 119.A O no hydrogen 3.113 N/A LEU 124.A N ILE 120.A O no hydrogen 2.844 N/A ASP 125.A N LEU 121.A O no hydrogen 2.803 N/A TYR 126.A N LYS 122.A O no hydrogen 3.065 N/A LEU 127.A N GLY 123.A O no hydrogen 2.969 N/A HIS 128.A N LEU 124.A O no hydrogen 2.781 N/A HIS 128.A NE2 ASP 186.A OD2 no hydrogen 2.828 N/A SER 129.A N ASP 125.A O no hydrogen 2.987 N/A SER 129.A OG ASP 125.A O no hydrogen 3.338 N/A SER 129.A OG TYR 126.A O no hydrogen 2.693 N/A GLU 130.A N TYR 126.A O no hydrogen 3.110 N/A GLU 130.A N LEU 127.A O no hydrogen 3.008 N/A LYS 131.A N HIS 128.A O no hydrogen 3.037 N/A LYS 132.A N LEU 127.A O no hydrogen 2.910 N/A LYS 132.A NZ GLN 68.A OE1 no hydrogen 2.792 N/A LYS 132.A NZ GLN 160.A OE1 no hydrogen 2.929 N/A ILE 133.A N GLY 159.A O no hydrogen 3.156 N/A HIS 134.A N ASP 186.A OD2 no hydrogen 2.801 N/A HIS 134.A NE2 ALA 153.A O no hydrogen 2.853 N/A ARG 135.A N ASP 186.A OD1 no hydrogen 2.815 N/A ARG 135.A NH2 VAL 157.A O no hydrogen 3.028 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 3.077 N/A LYS 138.A NZ THR 167.A OG1 no hydrogen 2.771 N/A ALA 139.A N GLU 196.A OE1 no hydrogen 2.819 N/A ASN 141.A N LYS 138.A O no hydrogen 2.931 N/A ASN 141.A ND2 ASP 136.A O no hydrogen 2.731 N/A VAL 142.A N ALA 139.A O no hydrogen 3.271 N/A LEU 143.A N LYS 151.A O no hydrogen 2.794 N/A LEU 144.A N GLY 97.A O no hydrogen 2.910 N/A SER 145.A N GLU 149.A O no hydrogen 2.865 N/A SER 145.A OG GLU 149.A OE2 no hydrogen 2.621 N/A HIS 147.A N SER 145.A OG no hydrogen 3.024 N/A GLY 148.A N SER 145.A O no hydrogen 2.960 N/A GLU 149.A N SER 145.A OG no hydrogen 3.169 N/A LYS 151.A N LEU 143.A O no hydrogen 2.773 N/A LYS 151.A NZ GLU 92.A OE1 no hydrogen 2.840 N/A LEU 152.A N TYR 73.A O no hydrogen 2.810 N/A ALA 153.A N ASN 141.A O no hydrogen 2.895 N/A ALA 158.A N PHE 155.A O no hydrogen 2.982 N/A GLY 159.A N ILE 133.A O no hydrogen 2.982 N/A GLN 160.A NE2 GLN 68.A OE1 no hydrogen 3.016 N/A LEU 161.A N LYS 131.A O no hydrogen 2.859 N/A THR 167.A OG1 ASP 136.A OD1 no hydrogen 2.706 N/A TRP 170.A N THR 167.A O no hydrogen 2.891 N/A TRP 170.A NE1 GLU 196.A OE1 no hydrogen 2.940 N/A MET 171.A N PRO 168.A O no hydrogen 3.070 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.807 N/A VAL 175.A N ALA 172.A O no hydrogen 3.008 N/A ILE 176.A N ALA 172.A O no hydrogen 3.116 N/A LYS 177.A N PRO 173.A O no hydrogen 2.922 N/A GLN 178.A N VAL 175.A O no hydrogen 3.099 N/A SER 179.A N GLU 174.A O no hydrogen 2.890 N/A TYR 181.A N ARG 162.A O no hydrogen 2.586 N/A LYS 184.A N ASP 182.A OD1 no hydrogen 2.961 N/A LYS 184.A NZ PRO 244.A O no hydrogen 3.268 N/A LYS 184.A NZ ARG 247.A O no hydrogen 2.753 N/A ALA 185.A N ASP 182.A O no hydrogen 2.989 N/A ASP 186.A N SER 183.A O no hydrogen 2.978 N/A TRP 188.A N LYS 184.A O no hydrogen 3.171 N/A SER 189.A N ALA 185.A O no hydrogen 3.055 N/A SER 189.A OG TRP 170.A O no hydrogen 2.713 N/A SER 189.A OG ALA 185.A O no hydrogen 3.327 N/A LEU 190.A N ASP 186.A O no hydrogen 2.890 N/A GLY 191.A N ILE 187.A O no hydrogen 3.050 N/A ILE 192.A N TRP 188.A O no hydrogen 3.066 N/A THR 193.A N SER 189.A O no hydrogen 2.820 N/A THR 193.A OG1 SER 189.A O no hydrogen 2.885 N/A ALA 194.A N LEU 190.A O no hydrogen 2.811 N/A ILE 195.A N GLY 191.A O no hydrogen 3.113 N/A GLU 196.A N ILE 192.A O no hydrogen 2.896 N/A LEU 197.A N THR 193.A O no hydrogen 2.777 N/A ALA 198.A N ALA 194.A O no hydrogen 3.076 N/A ALA 198.A N ILE 195.A O no hydrogen 3.108 N/A ARG 199.A N ILE 195.A O no hydrogen 2.817 N/A ARG 199.A NH1 GLU 225.A O no hydrogen 2.806 N/A GLY 200.A N GLU 196.A O no hydrogen 2.641 N/A SER 205.A OG GLU 206.A OE1 no hydrogen 2.659 N/A LEU 207.A N HIS 204.A O no hydrogen 2.823 N/A LYS 211.A N HIS 208.A O no hydrogen 2.794 N/A VAL 212.A N HIS 208.A O no hydrogen 3.186 N/A LEU 213.A N PRO 209.A O no hydrogen 3.146 N/A PHE 214.A N LYS 211.A O no hydrogen 2.985 N/A LEU 215.A N LYS 211.A O no hydrogen 3.033 N/A ILE 216.A N VAL 212.A O no hydrogen 3.119 N/A LYS 218.A N PHE 214.A O no hydrogen 3.283 N/A ASN 219.A N LEU 215.A O no hydrogen 2.878 N/A TYR 228.A OH ALA 198.A O no hydrogen 2.971 N/A SER 229.A N GLU 110.A OE2 no hydrogen 2.865 N/A SER 229.A OG GLU 110.A OE1 no hydrogen 2.614 N/A LEU 232.A N SER 229.A OG no hydrogen 3.149 N/A LYS 233.A N SER 229.A O no hydrogen 2.934 N/A LYS 233.A NZ GLY 226.A O no hydrogen 2.916 N/A GLU 234.A N LYS 230.A O no hydrogen 2.809 N/A PHE 235.A N PRO 231.A O no hydrogen 2.855 N/A VAL 236.A N LEU 232.A O no hydrogen 3.041 N/A GLU 237.A N LYS 233.A O no hydrogen 2.926 N/A ALA 238.A N GLU 234.A O no hydrogen 2.874 N/A CYS 239.A N PHE 235.A O no hydrogen 3.194 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.533 N/A LEU 240.A N VAL 236.A O no hydrogen 2.924 N/A LYS 242.A NZ ILE 216.A O no hydrogen 3.477 N/A LYS 242.A NZ PRO 217.A O no hydrogen 2.773 N/A LYS 242.A NZ ASN 219.A O no hydrogen 2.791 N/A GLU 243.A N ASN 241.A OD1 no hydrogen 2.938 N/A SER 245.A N GLU 243.A OE1 no hydrogen 2.976 N/A SER 245.A OG GLU 243.A OE1 no hydrogen 2.826 N/A PHE 246.A N GLU 243.A O no hydrogen 2.902 N/A ARG 247.A N PRO 244.A O no hydrogen 3.056 N/A ARG 247.A NE ASN 241.A O no hydrogen 2.887 N/A ARG 247.A NH1 GLU 174.A OE1 no hydrogen 3.539 N/A ARG 247.A NH1 GLU 174.A OE2 no hydrogen 2.681 N/A ARG 247.A NH1 LYS 184.A O no hydrogen 2.917 N/A ARG 247.A NH2 GLU 174.A OE1 no hydrogen 2.854 N/A ARG 247.A NH2 ASN 241.A O no hydrogen 3.094 N/A THR 249.A N GLU 252.A OE1 no hydrogen 3.093 N/A GLU 252.A N THR 249.A OG1 no hydrogen 3.040 N/A LEU 253.A N THR 249.A O no hydrogen 2.998 N/A LEU 254.A N ALA 250.A O no hydrogen 3.052 N/A LYS 255.A N GLU 252.A O no hydrogen 3.007 N/A HIS 256.A N LEU 253.A O no hydrogen 2.980 N/A LYS 257.A NZ GLU 234.A OE1 no hydrogen 2.749 N/A PHE 258.A N HIS 256.A ND1 no hydrogen 2.970 N/A LEU 260.A N HIS 256.A O no hydrogen 2.961 N/A ARG 261.A N LYS 257.A O no hydrogen 2.957 N/A ASN 262.A N ILE 259.A O no hydrogen 3.345 N/A ALA 263.A N ILE 259.A O no hydrogen 2.939 N/A LYS 264.A N THR 115.A OG1 no hydrogen 2.971 N/A TYR 268.A N LYS 265.A O no hydrogen 3.222 N/A LEU 269.A N THR 266.A O no hydrogen 2.858 N/A THR 270.A N SER 267.A O no hydrogen 3.199 N/A THR 270.A OG1 SER 267.A O no hydrogen 3.065 N/A GLU 271.A N TYR 268.A O no hydrogen 3.060 N/A ILE 273.A N LEU 269.A O no hydrogen 3.112 N/A ASP 274.A N THR 270.A O no hydrogen 2.796 N/A ARG 275.A N GLU 271.A O no hydrogen 2.899 N/A ARG 275.A NH1 PRO 107.A O no hydrogen 3.182 N/A ARG 275.A NH2 LEU 102.A O no hydrogen 2.913 N/A ARG 275.A NH2 GLY 106.A O no hydrogen 2.827 N/A TYR 276.A N LEU 272.A O no hydrogen 3.173 N/A LYS 277.A N ILE 273.A O no hydrogen 2.975 N/A ARG 278.A N ASP 274.A O no hydrogen 2.795 N/A ARG 278.A NH2 GLU 271.A OE1 no hydrogen 2.910 N/A TRP 279.A N ARG 275.A O no hydrogen 2.937 N/A LYS 280.A N TYR 276.A O no hydrogen 2.801 N/A ALA 281.A N LYS 277.A O no hydrogen 2.905 N/A GLU 282.A N ARG 278.A O no hydrogen 3.322 N/A GLU 282.A N TRP 279.A O no hydrogen 3.192 N/A GLN 283.A NE2 TRP 279.A O no hydrogen 3.033 N/A