Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N LEU 1.A O no hydrogen 3.241 N/A GLN 6.A N ILE 23.A O no hydrogen 2.922 N/A GLY 8.A N SER 21.A O no hydrogen 2.534 N/A LEU 11.A N VAL 19.A O no hydrogen 2.750 N/A GLY 14.A N LEU 11.A O no hydrogen 3.286 N/A GLY 15.A N GLY 12.A O no hydrogen 3.008 N/A GLY 17.A N GLY 14.A O no hydrogen 3.004 N/A VAL 19.A N GLY 17.A O no hydrogen 2.964 N/A TYR 20.A N ILE 33.A O no hydrogen 2.777 N/A SER 21.A N PRO 9.A O no hydrogen 2.880 N/A GLY 22.A N VAL 31.A O no hydrogen 2.956 N/A ILE 23.A N GLN 6.A O no hydrogen 2.941 N/A ARG 24.A N LEU 29.A O no hydrogen 2.853 N/A ARG 24.A NE ASP 27.A OD1 no hydrogen 2.831 N/A ARG 24.A NH2 ASP 27.A OD1 no hydrogen 3.325 N/A ARG 24.A NH2 ASP 27.A OD2 no hydrogen 3.206 N/A VAL 25.A N GLN 4.A O no hydrogen 3.143 N/A ASP 27.A N ARG 24.A O no hydrogen 3.246 N/A VAL 31.A N GLY 22.A O no hydrogen 2.916 N/A ALA 32.A N LEU 87.A O no hydrogen 2.700 N/A ILE 33.A N TYR 20.A O no hydrogen 2.817 N/A LYS 34.A N LEU 85.A O no hydrogen 2.859 N/A LYS 34.A NZ GLU 56.A OE2 no hydrogen 2.755 N/A LYS 34.A NZ ASP 153.A OD1 no hydrogen 3.500 N/A HIS 35.A N SER 18.A O no hydrogen 2.885 N/A VAL 36.A N PHE 83.A O no hydrogen 2.893 N/A LYS 38.A N ASP 81.A O no hydrogen 2.972 N/A LYS 38.A NZ GLU 78.A OE2 no hydrogen 2.645 N/A LYS 38.A NZ ARG 79.A O no hydrogen 2.876 N/A LYS 38.A NZ PRO 80.A O no hydrogen 3.006 N/A ARG 40.A N GLU 37.A O no hydrogen 3.060 N/A ILE 41.A N LYS 38.A O no hydrogen 3.280 N/A GLY 45.A N VAL 53.A O no hydrogen 2.868 N/A LEU 47.A N THR 51.A O no hydrogen 2.767 N/A GLY 50.A N LEU 47.A O no hydrogen 2.679 N/A VAL 53.A N GLY 45.A O no hydrogen 2.868 N/A MET 55.A N ASP 43.A O no hydrogen 3.051 N/A VAL 57.A N PRO 54.A O no hydrogen 2.956 N/A VAL 58.A N PRO 54.A O no hydrogen 3.350 N/A LEU 59.A N MET 55.A O no hydrogen 2.852 N/A LEU 60.A N GLU 56.A O no hydrogen 2.926 N/A LYS 61.A N VAL 57.A O no hydrogen 2.918 N/A LYS 62.A N VAL 58.A O no hydrogen 3.050 N/A VAL 63.A N LEU 59.A O no hydrogen 3.145 N/A VAL 63.A N LEU 60.A O no hydrogen 3.289 N/A SER 64.A N LYS 61.A O no hydrogen 3.287 N/A SER 64.A OG LYS 61.A O no hydrogen 2.975 N/A ILE 71.A N LEU 151.A O no hydrogen 2.955 N/A ARG 72.A N GLU 88.A OE2 no hydrogen 2.847 N/A LEU 74.A N ILE 86.A O no hydrogen 2.688 N/A PHE 77.A N VAL 84.A O no hydrogen 2.808 N/A ARG 79.A N SER 82.A O no hydrogen 2.711 N/A PHE 83.A N VAL 36.A O no hydrogen 2.877 N/A VAL 84.A N PHE 77.A O no hydrogen 2.835 N/A LEU 85.A N LYS 34.A O no hydrogen 2.689 N/A ILE 86.A N ASP 75.A O no hydrogen 2.779 N/A LEU 87.A N ALA 32.A O no hydrogen 2.817 N/A GLU 88.A N ARG 72.A O no hydrogen 3.012 N/A ARG 89.A N PRO 30.A O no hydrogen 3.337 N/A ARG 89.A NE VAL 31.A O no hydrogen 2.931 N/A ARG 89.A NH1 GLU 91.A OE2 no hydrogen 2.568 N/A ARG 89.A NH2 GLY 22.A O no hydrogen 2.958 N/A GLN 94.A N ILE 142.A O no hydrogen 3.223 N/A GLN 94.A NE2 GLU 102.A OE2 no hydrogen 3.088 N/A LEU 96.A N ILE 140.A O no hydrogen 2.851 N/A PHE 97.A N ASP 137.A O no hydrogen 3.288 N/A ASP 98.A N ASP 95.A OD1 no hydrogen 2.759 N/A PHE 99.A N ASP 95.A O no hydrogen 2.946 N/A ILE 100.A N LEU 96.A O no hydrogen 2.934 N/A THR 101.A N PHE 97.A O no hydrogen 2.955 N/A THR 101.A OG1 PHE 97.A O no hydrogen 3.022 N/A GLU 102.A N ASP 98.A O no hydrogen 3.060 N/A ARG 103.A N PHE 99.A O no hydrogen 2.905 N/A ARG 103.A NH1 HIS 269.A O no hydrogen 3.245 N/A ARG 103.A NH2 HIS 269.A O no hydrogen 2.910 N/A GLY 104.A N ILE 100.A O no hydrogen 2.746 N/A LEU 106.A N MET 202.A O no hydrogen 2.837 N/A ALA 111.A N GLN 107.A O no hydrogen 2.831 N/A ARG 112.A N GLU 108.A O no hydrogen 2.657 N/A ARG 112.A NE TRP 255.A O no hydrogen 2.643 N/A ARG 112.A NH2 TRP 255.A O no hydrogen 3.147 N/A SER 113.A N GLU 109.A O no hydrogen 3.198 N/A SER 113.A OG THR 265.A OG1 no hydrogen 2.671 N/A PHE 114.A N LEU 110.A O no hydrogen 2.988 N/A PHE 115.A N ALA 111.A O no hydrogen 2.782 N/A TRP 116.A N ARG 112.A O no hydrogen 2.833 N/A GLN 117.A N SER 113.A O no hydrogen 3.086 N/A GLN 117.A NE2 GLY 147.A O no hydrogen 2.973 N/A VAL 118.A N PHE 114.A O no hydrogen 2.954 N/A LEU 119.A N PHE 115.A O no hydrogen 2.873 N/A GLU 120.A N TRP 116.A O no hydrogen 2.988 N/A ALA 121.A N GLN 117.A O no hydrogen 2.999 N/A VAL 122.A N VAL 118.A O no hydrogen 2.877 N/A ARG 123.A N LEU 119.A O no hydrogen 2.893 N/A ARG 123.A NH1 GLN 251.A OE1 no hydrogen 2.935 N/A HIS 124.A N GLU 120.A O no hydrogen 2.961 N/A HIS 124.A NE2 VAL 63.A O no hydrogen 2.925 N/A CYS 125.A N ALA 121.A O no hydrogen 3.016 N/A CYS 125.A SG ALA 121.A O no hydrogen 3.444 N/A HIS 126.A N VAL 122.A O no hydrogen 2.904 N/A ASN 127.A N ARG 123.A O no hydrogen 2.840 N/A CYS 128.A N HIS 124.A O no hydrogen 3.010 N/A CYS 128.A N CYS 125.A O no hydrogen 2.923 N/A CYS 128.A SG LYS 62.A O no hydrogen 3.415 N/A CYS 128.A SG HIS 124.A O no hydrogen 3.323 N/A GLY 129.A N HIS 126.A O no hydrogen 2.971 N/A VAL 130.A N CYS 125.A O no hydrogen 2.954 N/A LEU 131.A N ALA 158.A O no hydrogen 2.768 N/A HIS 132.A NE2 ILE 152.A O no hydrogen 2.844 N/A ARG 133.A NE SER 156.A O no hydrogen 2.862 N/A ARG 133.A NH1 ASP 167.A OD1 no hydrogen 3.514 N/A ARG 133.A NH1 ASP 167.A OD2 no hydrogen 3.002 N/A ARG 133.A NH1 TYR 185.A OH no hydrogen 3.015 N/A ARG 133.A NH2 SER 156.A O no hydrogen 3.172 N/A ARG 133.A NH2 GLY 157.A O no hydrogen 3.095 N/A ARG 133.A NH2 ASP 167.A OD2 no hydrogen 3.327 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.933 N/A LYS 136.A NZ GLU 138.A OE2 no hydrogen 3.141 N/A LYS 136.A NZ THR 171.A OG1 no hydrogen 2.702 N/A ASP 137.A N TYR 174.A OH no hydrogen 3.479 N/A ASN 139.A N LYS 136.A O no hydrogen 2.971 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.839 N/A ILE 140.A N ASP 137.A O no hydrogen 3.283 N/A LEU 141.A N LYS 150.A O no hydrogen 2.801 N/A ILE 142.A N GLN 94.A O no hydrogen 2.892 N/A ASP 143.A N GLU 148.A O no hydrogen 2.802 N/A LEU 144.A N PRO 92.A O no hydrogen 3.080 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 3.016 N/A ARG 146.A N ASP 143.A OD1 no hydrogen 2.925 N/A ARG 146.A NH2 GLU 148.A OE2 no hydrogen 2.542 N/A GLY 147.A N ASP 143.A O no hydrogen 2.759 N/A LEU 149.A N GLN 117.A OE1 no hydrogen 2.813 N/A LYS 150.A N LEU 141.A O no hydrogen 2.791 N/A LYS 150.A NZ SER 68.A O no hydrogen 2.517 N/A LYS 150.A NZ GLU 88.A OE2 no hydrogen 3.102 N/A LEU 151.A N GLY 69.A O no hydrogen 2.850 N/A ILE 152.A N ASN 139.A O no hydrogen 2.867 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 3.049 N/A SER 156.A OG ASP 169.A O no hydrogen 3.079 N/A GLY 157.A N PHE 154.A O no hydrogen 3.115 N/A ALA 158.A N LEU 131.A O no hydrogen 2.824 N/A LEU 160.A N GLY 129.A O no hydrogen 2.745 N/A LYS 161.A N TYR 165.A OH no hydrogen 3.021 N/A LYS 161.A NZ VAL 164.A O no hydrogen 3.078 N/A TYR 165.A N TYR 185.A O no hydrogen 2.748 N/A TYR 165.A OH LEU 159.A O no hydrogen 2.671 N/A THR 171.A OG1 ASP 134.A OD1 no hydrogen 2.722 N/A ARG 172.A NE ASP 212.A OD1 no hydrogen 2.959 N/A ARG 172.A NH2 ASP 212.A OD1 no hydrogen 3.527 N/A ARG 172.A NH2 ASP 212.A OD2 no hydrogen 2.853 N/A TYR 174.A N THR 171.A O no hydrogen 2.987 N/A SER 175.A N ARG 172.A O no hydrogen 2.901 N/A SER 175.A OG ARG 172.A O no hydrogen 2.670 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.641 N/A TRP 179.A N PRO 176.A O no hydrogen 2.967 N/A ILE 180.A N PRO 176.A O no hydrogen 3.242 N/A ARG 181.A N PRO 177.A O no hydrogen 2.904 N/A TYR 182.A N GLU 178.A O no hydrogen 3.072 N/A HIS 183.A N TRP 179.A O no hydrogen 2.923 N/A TYR 185.A N TYR 165.A O no hydrogen 3.063 N/A TYR 185.A OH ASP 167.A O no hydrogen 2.598 N/A ARG 188.A NH1 ASP 162.A OD1 no hydrogen 2.656 N/A ARG 188.A NH2 ASP 162.A OD1 no hydrogen 2.889 N/A ALA 190.A N HIS 186.A O no hydrogen 3.087 N/A ALA 191.A N GLY 187.A O no hydrogen 2.958 N/A VAL 192.A N ARG 188.A O no hydrogen 2.936 N/A TRP 193.A N SER 189.A O no hydrogen 3.084 N/A SER 194.A N ALA 190.A O no hydrogen 3.103 N/A SER 194.A OG ALA 191.A O no hydrogen 2.908 N/A LEU 195.A N ALA 191.A O no hydrogen 2.927 N/A GLY 196.A N VAL 192.A O no hydrogen 2.981 N/A ILE 197.A N TRP 193.A O no hydrogen 3.098 N/A LEU 198.A N SER 194.A O no hydrogen 2.981 N/A LEU 199.A N LEU 195.A O no hydrogen 2.842 N/A TYR 200.A N GLY 196.A O no hydrogen 2.999 N/A TYR 200.A OH PHE 221.A O no hydrogen 2.533 N/A ASP 201.A N ILE 197.A O no hydrogen 2.864 N/A MET 202.A N LEU 198.A O no hydrogen 2.974 N/A VAL 203.A N LEU 199.A O no hydrogen 3.130 N/A CYS 204.A N TYR 200.A O no hydrogen 2.854 N/A GLY 205.A N ASP 201.A O no hydrogen 2.870 N/A ILE 207.A N ASP 206.A OD1 no hydrogen 2.792 N/A GLU 210.A N GLU 214.A OE1 no hydrogen 2.601 N/A HIS 211.A N GLU 214.A OE1 no hydrogen 2.862 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.567 N/A ILE 215.A N HIS 211.A O no hydrogen 3.105 N/A ILE 216.A N ASP 212.A O no hydrogen 3.097 N/A GLY 217.A N GLU 214.A O no hydrogen 3.306 N/A ARG 223.A NE TYR 200.A OH no hydrogen 3.080 N/A SER 227.A N GLU 108.A OE2 no hydrogen 2.792 N/A SER 227.A OG GLU 108.A OE1 no hydrogen 2.683 N/A SER 227.A OG GLU 108.A OE2 no hydrogen 3.418 N/A CYS 229.A N SER 227.A OG no hydrogen 3.190 N/A GLN 230.A N SER 227.A O no hydrogen 2.934 N/A GLN 230.A NE2 VAL 226.A O no hydrogen 3.530 N/A HIS 231.A ND1 HIS 253.A NE2 no hydrogen 2.831 N/A LEU 232.A N GLU 228.A O no hydrogen 3.161 N/A ILE 233.A N CYS 229.A O no hydrogen 2.911 N/A ARG 234.A N GLN 230.A O no hydrogen 2.887 N/A ARG 234.A NH1 GLN 230.A OE1 no hydrogen 2.886 N/A ARG 234.A NH2 VAL 220.A O no hydrogen 2.864 N/A TRP 235.A N HIS 231.A O no hydrogen 2.861 N/A CYS 236.A N LEU 232.A O no hydrogen 2.942 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.435 N/A LEU 237.A N ILE 233.A O no hydrogen 2.975 N/A ALA 238.A N TRP 235.A O no hydrogen 3.201 N/A ARG 240.A NE ASP 243.A OD2 no hydrogen 3.508 N/A ASP 243.A N ARG 240.A O no hydrogen 2.959 N/A ARG 244.A N PRO 241.A O no hydrogen 3.114 N/A ARG 244.A NE ALA 238.A O no hydrogen 2.789 N/A ARG 244.A NH1 GLU 178.A OE2 no hydrogen 2.838 N/A ARG 244.A NH1 SER 189.A O no hydrogen 2.924 N/A ARG 244.A NH2 GLU 178.A OE1 no hydrogen 2.743 N/A ARG 244.A NH2 GLU 178.A OE2 no hydrogen 3.498 N/A ARG 244.A NH2 ALA 238.A O no hydrogen 3.222 N/A ARG 244.A NH2 LEU 239.A O no hydrogen 3.063 N/A THR 246.A N GLU 249.A OE1 no hydrogen 3.025 N/A THR 246.A OG1 GLU 249.A OE1 no hydrogen 3.560 N/A GLU 249.A N THR 246.A OG1 no hydrogen 3.121 N/A ILE 250.A N THR 246.A O no hydrogen 2.931 N/A GLN 251.A N PHE 247.A O no hydrogen 3.007 N/A GLN 251.A NE2 GLU 120.A OE2 no hydrogen 2.773 N/A ASN 252.A N GLU 248.A O no hydrogen 2.877 N/A HIS 253.A N ILE 250.A O no hydrogen 3.001 N/A HIS 253.A NE2 HIS 231.A ND1 no hydrogen 2.831 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 2.977 N/A TRP 255.A NE1 GLU 108.A OE1 no hydrogen 2.835 N/A MET 256.A N HIS 253.A O no hydrogen 2.944 N/A GLN 257.A N PRO 254.A O no hydrogen 3.363 N/A GLN 257.A NE2 GLN 251.A O no hydrogen 3.082 N/A GLN 257.A NE2 HIS 253.A O no hydrogen 2.874 N/A LEU 261.A N GLU 264.A OE1 no hydrogen 2.888 N/A THR 265.A N LEU 261.A O no hydrogen 2.926 N/A THR 265.A OG1 SER 113.A OG no hydrogen 2.671 N/A THR 265.A OG1 LEU 261.A O no hydrogen 2.830 N/A ALA 266.A N PRO 262.A O no hydrogen 2.994 N/A GLU 267.A N GLN 263.A O no hydrogen 2.996 N/A ILE 268.A N GLU 264.A O no hydrogen 2.818 N/A HIS 269.A N THR 265.A O no hydrogen 2.867 N/A HIS 269.A NE2 GLU 109.A OE1 no hydrogen 2.743 N/A LEU 270.A N ALA 266.A O no hydrogen 2.916 N/A HIS 271.A N ALA 266.A O no hydrogen 2.711 N/A HIS 271.A NE2 ASN 145.A O no hydrogen 2.956 N/A