Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5h3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ARG 248.A O no hydrogen 3.042 N/A GLU 4.A N HIS 2.A ND1 no hydrogen 3.056 N/A LEU 5.A N HIS 2.A O no hydrogen 3.025 N/A GLN 6.A N GLU 3.A O no hydrogen 3.004 N/A GLN 6.A NE2 GLU 3.A O no hydrogen 3.022 N/A GLN 6.A NE2 ARG 38.A O no hydrogen 2.681 N/A TYR 7.A OH MET 193.A O no hydrogen 2.382 N/A LEU 8.A N GLU 4.A O no hydrogen 3.139 N/A ARG 9.A N LEU 5.A O no hydrogen 3.100 N/A GLN 10.A N GLN 6.A O no hydrogen 3.078 N/A LEU 11.A N TYR 7.A O no hydrogen 2.951 N/A ARG 12.A N LEU 8.A O no hydrogen 2.990 N/A GLU 13.A N ARG 9.A O no hydrogen 2.817 N/A ILE 14.A N GLN 10.A O no hydrogen 2.990 N/A LEU 15.A N LEU 11.A O no hydrogen 2.849 N/A CYS 16.A N ARG 12.A O no hydrogen 2.792 N/A CYS 16.A N GLU 13.A O no hydrogen 3.216 N/A ARG 17.A N GLU 13.A O no hydrogen 2.846 N/A GLY 18.A N ILE 14.A O no hydrogen 2.926 N/A SER 19.A N SER 31.A O no hydrogen 2.794 N/A ARG 21.A N THR 29.A O no hydrogen 2.975 N/A ASP 23.A N ILE 27.A O no hydrogen 3.253 N/A GLY 26.A N ASP 23.A O no hydrogen 3.360 N/A THR 29.A N ARG 21.A O no hydrogen 3.047 N/A LEU 30.A N ILE 231.A O no hydrogen 2.900 N/A SER 31.A N SER 19.A O no hydrogen 3.060 N/A LEU 32.A N ALA 229.A O no hydrogen 2.941 N/A GLY 34.A N GLY 227.A O no hydrogen 2.953 N/A MET 35.A N LEU 226.A O no hydrogen 3.203 N/A ALA 37.A N HIS 224.A O no hydrogen 3.063 N/A ARG 38.A N GLN 6.A OE1 no hydrogen 2.831 N/A ARG 38.A NE GLU 221.A OE2 no hydrogen 2.518 N/A ARG 38.A NH2 GLU 221.A OE1 no hydrogen 3.006 N/A ARG 38.A NH2 GLU 221.A OE2 no hydrogen 3.341 N/A TYR 39.A N PHE 222.A O no hydrogen 2.853 N/A SER 40.A N GLU 3.A OE1 no hydrogen 3.254 N/A LEU 41.A N GLY 220.A O no hydrogen 2.906 N/A ARG 42.A NE GLU 181.A OE1 no hydrogen 3.129 N/A ARG 42.A NE GLU 181.A OE2 no hydrogen 3.340 N/A HIS 44.A NE2 GLU 3.A OE1 no hydrogen 3.133 N/A PHE 45.A N PRO 251.A O no hydrogen 3.082 N/A LEU 47.A N PHE 45.A O no hydrogen 2.814 N/A THR 49.A N GLU 4.A OE1 no hydrogen 3.039 N/A THR 49.A N GLU 4.A OE2 no hydrogen 3.021 N/A THR 49.A OG1 GLU 4.A OE1 no hydrogen 2.854 N/A THR 49.A OG1 ARG 248.A O no hydrogen 3.235 N/A THR 50.A N GLU 4.A OE2 no hydrogen 2.849 N/A THR 50.A OG1 GLU 4.A OE2 no hydrogen 3.048 N/A VAL 53.A N TYR 275.A OH no hydrogen 2.976 N/A TRP 55.A N VAL 53.A O no hydrogen 2.615 N/A ARG 56.A NH1 GLY 79.A O no hydrogen 3.301 N/A VAL 58.A N PHE 54.A O no hydrogen 3.025 N/A VAL 59.A N TRP 55.A O no hydrogen 3.079 N/A GLN 60.A N ARG 56.A O no hydrogen 3.047 N/A GLU 61.A N GLY 57.A O no hydrogen 2.799 N/A LEU 62.A N VAL 58.A O no hydrogen 3.173 N/A LEU 63.A N VAL 59.A O no hydrogen 3.163 N/A TRP 64.A N GLN 60.A O no hydrogen 3.019 N/A TRP 64.A NE1 ASP 71.A O no hydrogen 3.055 N/A PHE 65.A N GLU 61.A O no hydrogen 2.898 N/A LEU 66.A N LEU 62.A O no hydrogen 2.865 N/A LYS 67.A N LEU 63.A O no hydrogen 3.223 N/A GLY 68.A N PHE 65.A O no hydrogen 2.878 N/A SER 69.A OG GLU 74.A OE1 no hydrogen 3.423 N/A THR 70.A OG1 TYR 120.A OH no hydrogen 2.769 N/A ASP 71.A N SER 69.A OG no hydrogen 3.157 N/A SER 72.A N GLY 103.A O no hydrogen 2.924 N/A ARG 73.A N ASP 71.A OD1 no hydrogen 2.882 N/A GLU 74.A N ASP 71.A O no hydrogen 3.063 N/A SER 76.A N SER 72.A O no hydrogen 2.875 N/A SER 76.A OG ASP 84.A OD1 no hydrogen 3.226 N/A SER 76.A OG ASP 84.A OD2 no hydrogen 2.591 N/A ARG 77.A N ARG 73.A O no hydrogen 3.091 N/A THR 78.A N LEU 75.A O no hydrogen 3.005 N/A THR 78.A OG1 LEU 75.A O no hydrogen 2.644 N/A GLY 79.A N SER 76.A O no hydrogen 2.845 N/A VAL 80.A N THR 78.A OG1 no hydrogen 3.194 N/A LYS 81.A NZ SER 76.A O no hydrogen 2.631 N/A LYS 81.A NZ SER 76.A OG no hydrogen 2.984 N/A TRP 83.A NE1 GLU 61.A OE2 no hydrogen 2.512 N/A ASP 84.A N LYS 81.A O no hydrogen 2.958 N/A GLY 87.A N ASP 84.A O no hydrogen 2.903 N/A SER 88.A N LYS 85.A O no hydrogen 3.403 N/A SER 88.A OG LYS 85.A O no hydrogen 3.082 N/A PHE 91.A N SER 88.A OG no hydrogen 2.943 N/A LEU 92.A N SER 88.A O no hydrogen 3.176 N/A ALA 93.A N ARG 89.A O no hydrogen 3.017 N/A GLY 94.A N GLU 90.A O no hydrogen 2.782 N/A ARG 95.A N PHE 91.A O no hydrogen 2.880 N/A ARG 95.A N LEU 92.A O no hydrogen 2.949 N/A ARG 95.A NE MET 164.A O no hydrogen 3.271 N/A ARG 95.A NH2 MET 164.A O no hydrogen 2.957 N/A GLY 96.A N ALA 93.A O no hydrogen 2.893 N/A LEU 97.A N LEU 92.A O no hydrogen 2.923 N/A ARG 100.A NH1 ASP 104.A O no hydrogen 2.806 N/A ARG 100.A NH2 LEU 163.A O no hydrogen 2.680 N/A ARG 101.A NH2 ASP 71.A OD1 no hydrogen 2.969 N/A ARG 101.A NH2 ASP 71.A OD2 no hydrogen 2.459 N/A GLY 103.A N GLY 87.A O no hydrogen 2.983 N/A ASP 104.A N ARG 101.A O no hydrogen 3.144 N/A LEU 105.A N THR 70.A O no hydrogen 3.201 N/A GLY 106.A N ASP 104.A OD1 no hydrogen 3.329 N/A VAL 108.A N GLY 106.A O no hydrogen 2.870 N/A GLN 112.A N VAL 108.A O no hydrogen 3.000 N/A GLN 112.A NE2 PRO 107.A O no hydrogen 3.066 N/A GLN 112.A NE2 ASP 160.A OD2 no hydrogen 2.862 N/A TRP 113.A N TYR 109.A O no hydrogen 2.791 N/A ARG 114.A N GLY 110.A O no hydrogen 3.162 N/A ARG 114.A NE ASP 133.A OD1 no hydrogen 2.689 N/A ARG 114.A NH1 ASP 133.A OD1 no hydrogen 3.507 N/A ARG 114.A NH1 ASP 133.A OD2 no hydrogen 2.916 N/A ARG 114.A NH2 LEU 66.A O no hydrogen 2.707 N/A ARG 114.A NH2 GLU 263.A OE2 no hydrogen 3.117 N/A HIS 115.A N PHE 111.A O no hydrogen 2.646 N/A HIS 115.A ND1 GLN 130.A O no hydrogen 2.776 N/A PHE 116.A N PHE 132.A O no hydrogen 3.160 N/A ALA 118.A N HIS 115.A O no hydrogen 2.978 N/A TYR 120.A OH THR 70.A OG1 no hydrogen 2.769 N/A TYR 120.A OH ASP 104.A OD1 no hydrogen 2.606 N/A VAL 121.A N TYR 127.A OH no hydrogen 3.039 N/A ALA 123.A N ASP 104.A OD2 no hydrogen 3.388 N/A ALA 125.A N ASP 122.A O no hydrogen 3.147 N/A ALA 125.A N ASP 122.A OD1 no hydrogen 2.679 N/A TYR 127.A OH ASP 122.A O no hydrogen 2.453 N/A THR 128.A OG1 ASP 126.A OD1 no hydrogen 2.979 N/A GLN 130.A N TYR 127.A O no hydrogen 2.624 N/A PHE 132.A N PHE 116.A O no hydrogen 2.763 N/A GLN 134.A N TRP 113.A O no hydrogen 2.886 N/A GLN 134.A NE2 GLN 112.A O no hydrogen 2.558 N/A GLN 134.A NE2 CYS 154.A O no hydrogen 2.938 N/A LEU 135.A N TRP 113.A O no hydrogen 3.331 N/A SER 136.A OG ASP 133.A OD2 no hydrogen 2.602 N/A TYR 137.A N ASP 133.A O no hydrogen 3.122 N/A TYR 137.A OH ARG 150.A O no hydrogen 2.763 N/A ILE 138.A N GLN 134.A O no hydrogen 2.896 N/A VAL 139.A N LEU 135.A O no hydrogen 3.095 N/A ASP 140.A N SER 136.A O no hydrogen 2.911 N/A LEU 141.A N TYR 137.A O no hydrogen 3.088 N/A ILE 142.A N ILE 138.A O no hydrogen 2.842 N/A LYS 143.A N VAL 139.A O no hydrogen 3.091 N/A ASN 144.A N ASP 140.A O no hydrogen 2.884 N/A ASN 144.A ND2 ASP 140.A OD1 no hydrogen 2.947 N/A ASN 145.A N LEU 141.A O no hydrogen 2.827 N/A ASP 148.A N ASN 145.A O no hydrogen 2.908 N/A ARG 150.A N ASP 148.A OD2 no hydrogen 2.960 N/A MET 153.A N CYS 173.A O no hydrogen 3.068 N/A CYS 154.A N GLN 134.A OE1 no hydrogen 2.659 N/A CYS 154.A SG TRP 156.A O no hydrogen 3.651 N/A CYS 154.A SG LEU 171.A O no hydrogen 3.455 N/A ALA 155.A N LEU 171.A O no hydrogen 2.699 N/A ASN 157.A ND2 GLN 112.A OE1 no hydrogen 3.278 N/A ASP 160.A N ASN 157.A O no hydrogen 3.129 N/A LEU 161.A N PRO 158.A O no hydrogen 3.237 N/A LEU 163.A N ASP 160.A O no hydrogen 3.038 N/A MET 164.A N LEU 161.A O no hydrogen 3.240 N/A ALA 165.A N LEU 105.A O no hydrogen 2.814 N/A CYS 169.A SG SER 190.A O no hydrogen 3.397 N/A HIS 170.A N TYR 109.A OH no hydrogen 3.153 N/A LEU 171.A N TYR 187.A O no hydrogen 2.837 N/A LEU 172.A N TYR 187.A O no hydrogen 3.483 N/A CYS 173.A N MET 153.A O no hydrogen 2.994 N/A GLN 174.A N GLN 185.A O no hydrogen 2.735 N/A PHE 175.A N ILE 151.A O no hydrogen 2.835 N/A TYR 176.A N SER 183.A O no hydrogen 3.084 N/A ALA 178.A N GLU 181.A O no hydrogen 3.248 N/A GLU 181.A N ALA 178.A O no hydrogen 2.830 N/A LEU 182.A N ARG 218.A O no hydrogen 2.948 N/A SER 183.A N TYR 176.A O no hydrogen 2.706 N/A SER 183.A OG GLU 221.A O no hydrogen 3.359 N/A CYS 184.A N GLU 221.A O no hydrogen 2.952 N/A CYS 184.A SG GLN 174.A O no hydrogen 4.027 N/A GLN 185.A N GLN 174.A O no hydrogen 2.862 N/A GLN 185.A NE2 THR 225.A OG1 no hydrogen 2.567 N/A LEU 186.A N ILE 223.A O no hydrogen 3.007 N/A TYR 187.A N LEU 172.A O no hydrogen 2.764 N/A GLN 188.A N THR 225.A O no hydrogen 2.876 N/A GLN 188.A NE2 SER 190.A O no hydrogen 2.990 N/A GLN 188.A NE2 ASN 200.A OD1 no hydrogen 2.917 N/A ARG 189.A N CYS 169.A O no hydrogen 2.975 N/A ARG 189.A NE PRO 168.A O no hydrogen 2.799 N/A ARG 189.A NH2 PRO 167.A O no hydrogen 3.377 N/A GLY 191.A N ASP 228.A O no hydrogen 2.934 N/A MET 193.A N HIS 230.A O no hydrogen 2.821 N/A GLY 194.A N ASP 192.A OD1 no hydrogen 2.923 N/A VAL 197.A N ASP 192.A O no hydrogen 3.028 N/A ASN 200.A N GLY 196.A O no hydrogen 2.875 N/A ILE 201.A N VAL 197.A O no hydrogen 2.921 N/A ALA 202.A N PRO 198.A O no hydrogen 3.159 N/A SER 203.A N PHE 199.A O no hydrogen 2.976 N/A TYR 204.A N ASN 200.A O no hydrogen 3.369 N/A SER 205.A N ILE 201.A O no hydrogen 3.178 N/A SER 205.A OG ILE 201.A O no hydrogen 2.913 N/A LEU 206.A N ALA 202.A O no hydrogen 2.831 N/A LEU 207.A N SER 203.A O no hydrogen 3.039 N/A THR 208.A N TYR 204.A O no hydrogen 3.056 N/A THR 208.A N SER 205.A O no hydrogen 2.952 N/A THR 208.A OG1 TYR 204.A O no hydrogen 2.749 N/A TYR 209.A N SER 205.A O no hydrogen 3.011 N/A TYR 209.A OH HIS 44.A O no hydrogen 2.863 N/A MET 210.A N LEU 206.A O no hydrogen 3.049 N/A LEU 211.A N LEU 207.A O no hydrogen 3.011 N/A ALA 212.A N THR 208.A O no hydrogen 2.842 N/A HIS 213.A N TYR 209.A O no hydrogen 2.869 N/A VAL 214.A N MET 210.A O no hydrogen 2.984 N/A THR 215.A N ALA 212.A O no hydrogen 3.310 N/A THR 215.A OG1 LEU 211.A O no hydrogen 2.581 N/A THR 215.A OG1 ALA 212.A O no hydrogen 3.425 N/A GLY 216.A N ALA 212.A O no hydrogen 2.964 N/A LEU 217.A N ALA 212.A O no hydrogen 2.846 N/A ARG 218.A N GLY 180.A O no hydrogen 3.237 N/A GLY 220.A N LEU 182.A O no hydrogen 2.760 N/A GLU 221.A N SER 183.A OG no hydrogen 2.831 N/A PHE 222.A N TYR 39.A O no hydrogen 2.766 N/A ILE 223.A N CYS 184.A O no hydrogen 2.668 N/A HIS 224.A N ALA 37.A O no hydrogen 2.834 N/A HIS 224.A NE2 GLN 188.A OE1 no hydrogen 2.907 N/A THR 225.A N LEU 186.A O no hydrogen 3.035 N/A THR 225.A OG1 GLN 36.A OE1 no hydrogen 3.323 N/A LEU 226.A N MET 35.A O no hydrogen 2.807 N/A GLY 227.A N GLN 188.A O no hydrogen 2.718 N/A ASP 228.A N ARG 189.A O no hydrogen 3.040 N/A ALA 229.A N LEU 32.A O no hydrogen 2.841 N/A HIS 230.A N GLY 191.A O no hydrogen 3.022 N/A HIS 230.A ND1 ASP 228.A OD1 no hydrogen 2.807 N/A ILE 231.A N LEU 30.A O no hydrogen 2.914 N/A LYS 233.A N GLY 28.A O no hydrogen 3.125 N/A LYS 233.A NZ ASP 20.A OD1 no hydrogen 3.049 N/A LYS 233.A NZ ASP 20.A OD2 no hydrogen 2.456 N/A HIS 235.A N TYR 232.A O no hydrogen 3.012 N/A ILE 236.A N LYS 233.A O no hydrogen 3.351 N/A LEU 239.A N HIS 235.A O no hydrogen 3.145 N/A ARG 240.A N ILE 236.A O no hydrogen 2.964 N/A LEU 241.A N GLU 237.A O no hydrogen 3.331 N/A GLN 242.A N PRO 238.A O no hydrogen 3.051 N/A GLN 242.A NE2 THR 50.A OG1 no hydrogen 2.706 N/A LEU 243.A N LEU 239.A O no hydrogen 2.960 N/A THR 244.A N LEU 241.A O no hydrogen 3.010 N/A THR 244.A OG1 LEU 241.A O no hydrogen 2.847 N/A ARG 245.A N GLN 242.A O no hydrogen 2.966 N/A ARG 245.A NH1 THR 50.A O no hydrogen 3.006 N/A ARG 245.A NH1 PRO 279.A O no hydrogen 3.012 N/A ARG 248.A N THR 49.A OG1 no hydrogen 2.938 N/A ARG 248.A NH1 CYS 276.A O no hydrogen 3.073 N/A ARG 252.A N VAL 273.A O no hydrogen 2.323 N/A GLU 254.A N ARG 271.A O no hydrogen 2.776 N/A LEU 256.A N ASP 269.A O no hydrogen 2.756 N/A ARG 257.A NE ASP 269.A OD1 no hydrogen 2.891 N/A ARG 257.A NH2 GLU 264.A O no hydrogen 2.995 N/A VAL 259.A N HIS 213.A NE2 no hydrogen 2.910 N/A SER 260.A OG GLU 264.A OE1 no hydrogen 3.274 N/A GLU 264.A N SER 261.A O no hydrogen 2.999 N/A THR 266.A N ASP 269.A OD2 no hydrogen 2.747 N/A THR 266.A OG1 ASP 269.A OD1 no hydrogen 3.343 N/A THR 266.A OG1 ASP 269.A OD2 no hydrogen 3.488 N/A ASP 269.A N THR 266.A O no hydrogen 2.932 N/A ARG 271.A N GLU 254.A O no hydrogen 2.760 N/A VAL 273.A N ARG 252.A O no hydrogen 2.934 N/A TYR 275.A OH LEU 48.A O no hydrogen 2.529 N/A CYS 276.A SG ASP 274.A O no hydrogen 3.850 N/A HIS 278.A N THR 49.A O no hydrogen 2.772 N/A HIS 278.A NE2 THR 246.A O no hydrogen 2.961 N/A