Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w04_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N LYS 1.A O no hydrogen 2.991 N/A ILE 5.A N.A LYS 1.A O no hydrogen 2.889 N/A ILE 5.A N.B LYS 1.A O no hydrogen 2.998 N/A LEU 6.A N LEU 2.A O no hydrogen 2.981 N/A ASN 7.A N GLN 4.A O no hydrogen 3.104 N/A ASN 7.A ND2 ASP 48.A OD2 no hydrogen 2.842 N/A ASN 7.A ND2 SER 54.A O no hydrogen 3.103 N/A VAL 8.A N LEU 3.A O no hydrogen 3.080 N/A ARG 9.A N LEU 46.A O no hydrogen 2.904 N/A ARG 9.A NH1 VAL 8.A O no hydrogen 3.038 N/A VAL 11.A N VAL 44.A O no hydrogen 2.861 N/A ARG 16.A NH1 LEU 261.A O no hydrogen 3.233 N/A ARG 16.A NH1 ALA 262.A O no hydrogen 3.173 N/A VAL 18.A N ARG 43.A O no hydrogen 2.859 N/A VAL 19.A N ALA 88.A O no hydrogen 2.820 N/A LEU 20.A N VAL 45.A O no hydrogen 2.911 N/A SER 21.A N VAL 90.A O no hydrogen 2.871 N/A SER 21.A OG TYR 47.A OH no hydrogen 2.795 N/A SER 21.A OG SER 95.A OG no hydrogen 2.624 N/A HIS 22.A ND1 GLY 23.A O no hydrogen 2.856 N/A PHE 24.A N SER 93.A OG no hydrogen 3.021 N/A THR 26.A N GLY 23.A O no hydrogen 3.356 N/A THR 26.A OG1 HIS 22.A ND1 no hydrogen 3.423 N/A THR 26.A OG1 GLY 23.A O no hydrogen 2.975 N/A GLN 28.A N ASP 48.A OD1 no hydrogen 2.959 N/A GLN 28.A NE2 ASN 7.A O no hydrogen 2.876 N/A GLN 28.A NE2 ASP 48.A OD1 no hydrogen 3.059 N/A SER 29.A N ASP 27.A OD1 no hydrogen 2.769 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.594 N/A ALA 30.A N ASP 27.A O no hydrogen 2.998 N/A TRP 31.A N GLN 28.A O no hydrogen 3.022 N/A SER 32.A N.A SER 29.A O no hydrogen 2.998 N/A SER 32.A N.B SER 29.A O no hydrogen 3.004 N/A SER 32.A OG.A SER 29.A O no hydrogen 3.144 N/A SER 32.A OG.B SER 29.A O no hydrogen 3.054 N/A LEU 35.A N TRP 31.A O no hydrogen 2.874 N/A TYR 37.A N VAL 34.A O no hydrogen 2.965 N/A TYR 37.A OH SER 251.A OG.B no hydrogen 2.982 N/A LEU 38.A N LEU 35.A O no hydrogen 2.862 N/A THR 39.A N LEU 35.A O no hydrogen 3.229 N/A ASP 41.A N LEU 38.A O no hydrogen 3.272 N/A HIS 42.A ND1 ARG 16.A O no hydrogen 2.971 N/A ARG 43.A N ARG 16.A O no hydrogen 3.303 N/A ARG 43.A NH2 GLY 14.A O no hydrogen 2.967 N/A VAL 44.A N VAL 11.A O no hydrogen 2.746 N/A VAL 45.A N VAL 18.A O no hydrogen 2.822 N/A LEU 46.A N ARG 9.A O no hydrogen 2.790 N/A TYR 47.A OH SER 21.A OG no hydrogen 2.795 N/A ASP 48.A N LEU 6.A O no hydrogen 2.897 N/A LEU 49.A N HIS 22.A NE2 no hydrogen 2.949 N/A ALA 52.A N LEU 49.A O no hydrogen 2.944 N/A SER 54.A OG ASP 48.A OD2 no hydrogen 2.726 N/A VAL 55.A N ALA 52.A O no hydrogen 2.914 N/A ASP 58.A N ASN 56.A OD1 no hydrogen 2.901 N/A HIS 59.A N ASN 56.A O no hydrogen 3.102 N/A PHE 60.A N PRO 57.A O no hydrogen 3.016 N/A ARG 64.A N ASP 61.A OD1 no hydrogen 3.394 N/A ARG 64.A NH2 ASP 74.A OD1 no hydrogen 2.771 N/A TYR 65.A N ASP 61.A O no hydrogen 3.005 N/A TYR 65.A OH ASP 74.A OD1 no hydrogen 3.275 N/A TYR 65.A OH ASP 74.A OD2 no hydrogen 2.643 N/A ASP 66.A N ARG 63.A O no hydrogen 3.429 N/A ALA 70.A N ASN 67.A O no hydrogen 3.397 N/A ALA 70.A N ASN 67.A OD1 no hydrogen 3.317 N/A VAL 72.A N LEU 68.A O no hydrogen 3.002 N/A ASP 73.A N ASP 69.A O no hydrogen 2.863 N/A ASP 74.A N ALA 70.A O no hydrogen 3.178 N/A LEU 75.A N TYR 71.A O no hydrogen 3.093 N/A LEU 76.A N VAL 72.A O no hydrogen 2.892 N/A ALA 77.A N ASP 73.A O no hydrogen 2.897 N/A ILE 78.A N ASP 74.A O no hydrogen 2.993 N/A LEU 79.A N LEU 75.A O no hydrogen 2.971 N/A ASP 80.A N LEU 76.A O no hydrogen 2.820 N/A ALA 81.A N ALA 77.A O no hydrogen 2.898 N/A LEU 82.A N ILE 78.A O no hydrogen 2.913 N/A ARG 83.A N ASP 80.A O no hydrogen 2.939 N/A ILE 84.A N LEU 79.A O no hydrogen 3.038 N/A ARG 86.A NH1 TYR 264.A O no hydrogen 3.370 N/A ARG 86.A NH1 TYR 264.A OXT no hydrogen 2.914 N/A ARG 86.A NH2 TYR 264.A O no hydrogen 2.658 N/A CYS 87.A N LEU 109.A O no hydrogen 2.829 N/A CYS 87.A SG ALA 88.A O no hydrogen 3.820 N/A CYS 87.A SG LEU 109.A O no hydrogen 3.682 N/A ALA 88.A N VAL 17.A O no hydrogen 2.867 N/A PHE 89.A N LYS 112.A O no hydrogen 2.931 N/A VAL 90.A N VAL 19.A O no hydrogen 2.831 N/A GLY 91.A N VAL 114.A O no hydrogen 2.927 N/A HIS 92.A N SER 21.A O no hydrogen 3.098 N/A HIS 92.A NE2 HIS 243.A O no hydrogen 2.768 N/A SER 93.A N ILE 116.A O no hydrogen 2.878 N/A VAL 94.A N SER 93.A OG no hydrogen 2.676 N/A SER 95.A N HIS 92.A O no hydrogen 2.908 N/A SER 95.A OG SER 21.A OG no hydrogen 2.624 N/A SER 95.A OG HIS 22.A O no hydrogen 2.626 N/A ALA 96.A N SER 93.A O no hydrogen 2.764 N/A ILE 98.A N VAL 94.A O no hydrogen 2.936 N/A GLY 99.A N SER 95.A O no hydrogen 2.834 N/A ILE 100.A N ALA 96.A O no hydrogen 3.052 N/A LEU 101.A N MET 97.A O no hydrogen 3.059 N/A ALA 102.A N ILE 98.A O no hydrogen 2.786 N/A SER 103.A N GLY 99.A O no hydrogen 2.851 N/A SER 103.A OG GLY 99.A O no hydrogen 3.448 N/A SER 103.A OG ILE 100.A O no hydrogen 2.797 N/A ILE 104.A N ILE 100.A O no hydrogen 3.191 N/A ILE 104.A N LEU 101.A O no hydrogen 3.162 N/A ARG 105.A N LEU 101.A O no hydrogen 3.056 N/A ARG 105.A NH1 ASP 73.A OD2 no hydrogen 2.792 N/A ARG 105.A NH2 ASP 69.A O no hydrogen 3.392 N/A ARG 105.A NH2 ASP 73.A OD2 no hydrogen 2.974 N/A ARG 106.A N ALA 102.A O no hydrogen 2.900 N/A ARG 106.A NE ASP 108.A OD1 no hydrogen 2.951 N/A ARG 106.A NE ASP 108.A OD2 no hydrogen 3.244 N/A ARG 106.A NH1 ASP 80.A OD1 no hydrogen 3.273 N/A ARG 106.A NH1 ASP 108.A OD2 no hydrogen 3.019 N/A ARG 106.A NH2 ASP 80.A OD1 no hydrogen 3.291 N/A ARG 106.A NH2 ASP 80.A OD2 no hydrogen 3.088 N/A LEU 109.A N ARG 106.A O no hydrogen 2.988 N/A PHE 110.A N ARG 106.A O no hydrogen 3.420 N/A ALA 111.A N CYS 87.A O no hydrogen 2.766 N/A LYS 112.A NZ ALA 260.A O no hydrogen 2.849 N/A LEU 113.A N PRO 205.A O no hydrogen 2.912 N/A VAL 114.A N PHE 89.A O no hydrogen 2.810 N/A LEU 115.A N VAL 207.A O no hydrogen 2.812 N/A ILE 116.A N GLY 91.A O no hydrogen 2.888 N/A SER 119.A OG ARG 121.A O no hydrogen 2.954 N/A ARG 121.A N SER 119.A OG no hydrogen 3.084 N/A ARG 121.A NE LEU 123.A O no hydrogen 2.798 N/A ARG 121.A NH1 ASP 194.A OD2 no hydrogen 2.905 N/A ARG 121.A NH2 ASN 124.A O no hydrogen 2.960 N/A ASN 124.A N PHE 132.A O no hydrogen 2.835 N/A ASN 124.A ND2 GLU 133.A OE2 no hydrogen 2.786 N/A ASP 125.A N TYR 128.A O no hydrogen 2.922 N/A SER 126.A N ASP 125.A OD1 no hydrogen 2.897 N/A TYR 128.A N ASP 125.A O no hydrogen 2.985 N/A TYR 128.A OH ARG 121.A O no hydrogen 2.776 N/A GLY 130.A N ASN 124.A OD1 no hydrogen 2.825 N/A GLY 131.A N ASN 124.A OD1 no hydrogen 2.864 N/A GLU 133.A N GLU 136.A OE1.A no hydrogen 2.800 N/A GLU 133.A N GLU 136.A OE1.B no hydrogen 3.029 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.898 N/A ILE 137.A N GLU 133.A O no hydrogen 3.104 N/A GLN 138.A N.A LEU 134.A O no hydrogen 2.971 N/A GLN 138.A N.B LEU 134.A O no hydrogen 2.990 N/A GLN 139.A N GLU 135.A O no hydrogen 3.163 N/A VAL 140.A N GLU 136.A O no hydrogen 2.933 N/A PHE 141.A N ILE 137.A O no hydrogen 2.867 N/A ASP 142.A N GLN 138.A O.A no hydrogen 2.968 N/A ASP 142.A N GLN 138.A O.B no hydrogen 2.892 N/A ALA 143.A N GLN 139.A O no hydrogen 2.870 N/A MET 144.A N VAL 140.A O no hydrogen 2.889 N/A GLY 145.A N PHE 141.A O no hydrogen 3.074 N/A ALA 146.A N ASP 142.A O no hydrogen 2.807 N/A ASN 147.A N ALA 143.A O no hydrogen 2.977 N/A TYR 148.A OH LEU 175.A O no hydrogen 2.688 N/A TYR 148.A OH SER 183.A OG no hydrogen 3.249 N/A ALA 150.A N ASN 147.A OD1 no hydrogen 3.121 N/A TRP 151.A N ASN 147.A O no hydrogen 2.974 N/A ALA 152.A N TYR 148.A O no hydrogen 2.823 N/A THR 153.A N SER 149.A O no hydrogen 2.928 N/A THR 153.A OG1 SER 149.A O no hydrogen 2.773 N/A GLY 154.A N ALA 150.A O no hydrogen 3.047 N/A TYR 155.A N TRP 151.A O no hydrogen 2.854 N/A ALA 156.A N ALA 152.A O no hydrogen 2.988 N/A ALA 159.A N TYR 155.A O no hydrogen 2.828 N/A VAL 160.A N ALA 156.A O no hydrogen 2.916 N/A GLY 161.A N PRO 157.A O no hydrogen 2.895 N/A ALA 162.A N VAL 160.A O no hydrogen 2.875 N/A ALA 167.A N VAL 164.A O no hydrogen 2.930 N/A VAL 168.A N VAL 164.A O no hydrogen 3.121 N/A GLN 169.A N PRO 165.A O no hydrogen 2.848 N/A GLU 170.A N ALA 166.A O no hydrogen 2.986 N/A PHE 171.A N ALA 167.A O no hydrogen 2.862 N/A SER 172.A N VAL 168.A O no hydrogen 2.875 N/A SER 172.A OG VAL 168.A O no hydrogen 2.824 N/A ARG 173.A N GLN 169.A O no hydrogen 2.917 N/A ARG 173.A NE GLU 170.A OE1 no hydrogen 2.870 N/A ARG 173.A NE GLU 170.A OE2 no hydrogen 3.258 N/A ARG 173.A NH2 GLU 170.A OE2 no hydrogen 2.562 N/A THR 174.A N GLU 170.A O no hydrogen 3.259 N/A THR 174.A OG1 GLY 25.A O no hydrogen 2.666 N/A THR 174.A OG1 GLU 170.A O no hydrogen 3.471 N/A THR 174.A OG1 PHE 171.A O no hydrogen 3.345 N/A LEU 175.A N PHE 171.A O no hydrogen 2.901 N/A PHE 176.A N SER 172.A O no hydrogen 2.747 N/A ASN 177.A N THR 174.A O no hydrogen 3.248 N/A MET 178.A N LEU 175.A O no hydrogen 3.134 N/A ARG 179.A NE ASP 181.A OD1 no hydrogen 2.798 N/A ARG 179.A NH1 ASP 58.A OD1 no hydrogen 3.339 N/A ARG 179.A NH2 ASP 181.A OD2 no hydrogen 3.003 N/A SER 183.A N ARG 179.A O no hydrogen 2.851 N/A SER 183.A OG TYR 148.A OH no hydrogen 3.249 N/A LEU 184.A N PRO 180.A O no hydrogen 3.009 N/A HIS 185.A N ASP 181.A O no hydrogen 2.969 N/A VAL 186.A N ILE 182.A O no hydrogen 2.857 N/A CYS 187.A N SER 183.A O no hydrogen 3.031 N/A CYS 187.A SG.B SER 183.A O no hydrogen 3.561 N/A GLN 188.A N LEU 184.A O no hydrogen 2.806 N/A THR 189.A N HIS 185.A O no hydrogen 2.895 N/A THR 189.A OG1 HIS 185.A O no hydrogen 2.849 N/A VAL 190.A N VAL 186.A O no hydrogen 2.848 N/A PHE 191.A N CYS 187.A O no hydrogen 2.941 N/A LYS 192.A N GLN 188.A O no hydrogen 3.016 N/A LYS 192.A N THR 189.A O no hydrogen 3.176 N/A LYS 192.A NZ ASP 66.A O no hydrogen 2.745 N/A THR 193.A N VAL 190.A O no hydrogen 2.998 N/A THR 193.A OG1 THR 189.A O no hydrogen 2.798 N/A LEU 195.A N PRO 120.A O no hydrogen 2.758 N/A ARG 196.A N ASP 194.A OD1 no hydrogen 3.034 N/A ARG 196.A NE ASP 194.A OD1 no hydrogen 2.928 N/A ARG 196.A NE ASP 194.A OD2 no hydrogen 3.335 N/A ARG 196.A NH2 ASP 125.A OD2 no hydrogen 2.814 N/A ARG 196.A NH2 ASP 194.A OD2 no hydrogen 2.862 N/A VAL 198.A N LEU 195.A O no hydrogen 3.011 N/A LEU 199.A N ARG 196.A O no hydrogen 3.446 N/A MET 201.A N VAL 198.A O no hydrogen 2.940 N/A VAL 202.A N LEU 199.A O no hydrogen 3.096 N/A CYS 206.A N ARG 232.A O no hydrogen 2.905 N/A CYS 206.A SG.A LEU 113.A O no hydrogen 3.790 N/A CYS 206.A SG.B ALA 204.A O no hydrogen 3.428 N/A VAL 207.A N LEU 113.A O no hydrogen 2.895 N/A VAL 208.A N THR 234.A O no hydrogen 2.854 N/A VAL 209.A N LEU 115.A O no hydrogen 2.925 N/A GLN 210.A N GLU 236.A O no hydrogen 2.913 N/A THR 211.A OG1 ARG 213.A O no hydrogen 3.326 N/A THR 211.A OG1 GLY 242.A O no hydrogen 2.854 N/A THR 212.A N THR 240.A O no hydrogen 2.815 N/A THR 212.A OG1 THR 240.A O no hydrogen 3.060 N/A ARG 213.A NE GLU 241.A OE2 no hydrogen 3.367 N/A ARG 213.A NH2 GLU 241.A OE2 no hydrogen 2.875 N/A SER 216.A N ASP 214.A OD1 no hydrogen 2.791 N/A SER 216.A OG.A ASP 214.A OD1 no hydrogen 2.978 N/A VAL 217.A N ASP 214.A O no hydrogen 3.138 N/A VAL 221.A N PRO 218.A O no hydrogen 3.067 N/A TYR 224.A N SER 220.A O no hydrogen 3.171 N/A LEU 225.A N VAL 221.A O no hydrogen 2.802 N/A LYS 226.A N ALA 222.A O no hydrogen 2.883 N/A ALA 227.A N ALA 223.A O no hydrogen 2.908 N/A HIS 228.A N TYR 224.A O no hydrogen 2.990 N/A HIS 228.A N LEU 225.A O no hydrogen 3.263 N/A LEU 229.A N LEU 225.A O no hydrogen 2.831 N/A GLY 230.A N LEU 199.A O no hydrogen 2.955 N/A THR 233.A OG1 GLY 231.A O no hydrogen 2.891 N/A THR 234.A N CYS 206.A O no hydrogen 2.991 N/A GLU 236.A N VAL 208.A O no hydrogen 2.821 N/A LEU 238.A N GLN 210.A O no hydrogen 2.720 N/A GLY 242.A N ARG 213.A O no hydrogen 2.748 N/A HIS 243.A N ALA 159.A O no hydrogen 2.883 N/A HIS 243.A ND1 ASP 214.A OD2 no hydrogen 2.603 N/A HIS 246.A N HIS 246.A ND1 no hydrogen 2.809 N/A LEU 247.A N LEU 244.A O no hydrogen 2.839 N/A SER 248.A N LEU 244.A O no hydrogen 2.950 N/A SER 248.A OG LEU 244.A O no hydrogen 3.224 N/A ALA 249.A N PRO 245.A O no hydrogen 2.765 N/A SER 251.A OG.A TYR 37.A OH no hydrogen 3.329 N/A SER 251.A OG.B TYR 37.A OH no hydrogen 2.982 N/A LEU 253.A N ALA 249.A O no hydrogen 3.006 N/A ALA 254.A N PRO 250.A O no hydrogen 2.766 N/A GLN 255.A N SER 251.A O.A no hydrogen 3.040 N/A GLN 255.A N SER 251.A O.B no hydrogen 3.294 N/A GLN 255.A N LEU 252.A O no hydrogen 3.120 N/A LEU 257.A N LEU 253.A O no hydrogen 2.953 N/A ARG 258.A N ALA 254.A O no hydrogen 2.839 N/A ARG 258.A NE TYR 37.A O no hydrogen 2.867 N/A ARG 258.A NH1 TYR 37.A O no hydrogen 3.277 N/A ARG 259.A N GLN 255.A O no hydrogen 3.093 N/A ARG 259.A NH1 GLU 236.A OE1 no hydrogen 2.931 N/A ARG 259.A NH2 GLU 236.A OE2 no hydrogen 2.993 N/A ALA 260.A N VAL 256.A O no hydrogen 2.774 N/A LEU 261.A N LEU 257.A O no hydrogen 2.864 N/A ALA 262.A N ARG 259.A O no hydrogen 3.178 N/A TYR 264.A OH VAL 17.A O no hydrogen 2.839 N/A