Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ub7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.552 N/A VAL 4.A N TYR 260.A O no hydrogen 2.859 N/A SER 6.A OG HIS 308.A NE2 no hydrogen 3.052 N/A ARG 7.A NH1 SER 6.A O no hydrogen 3.122 N/A ALA 8.A N TYR 181.A OH no hydrogen 2.974 N/A ARG 9.A NE GLN 309.A O no hydrogen 2.987 N/A ARG 9.A NH1 GLU 316.A OE2 no hydrogen 2.914 N/A ARG 9.A NH2 ARG 311.A O no hydrogen 2.802 N/A ARG 9.A NH2 GLU 316.A OE1 no hydrogen 2.948 N/A TYR 11.A OH ASP 144.A OD1 no hydrogen 2.776 N/A THR 12.A OG1 ALA 8.A O no hydrogen 2.706 N/A ASN 15.A ND2 GLY 150.A O no hydrogen 3.018 N/A ASN 15.A ND2 TYR 181.A O no hydrogen 2.707 N/A HIS 17.A N ASP 13.A O no hydrogen 3.136 N/A ARG 20.A NE ASP 24.A OD2 no hydrogen 2.944 N/A ARG 20.A NH2 ASP 24.A OD2 no hydrogen 3.143 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.838 N/A TYR 22.A N PRO 19.A O no hydrogen 2.974 N/A TYR 22.A OH MET 149.A O no hydrogen 2.752 N/A TRP 23.A N ARG 20.A O no hydrogen 3.292 N/A ASP 24.A N ARG 20.A O no hydrogen 3.043 N/A TYR 25.A N TRP 23.A O no hydrogen 2.927 N/A TYR 25.A OH GLU 179.A OE1 no hydrogen 2.629 N/A SER 27.A N ASP 24.A O no hydrogen 3.263 N/A SER 27.A OG ASP 24.A OD1 no hydrogen 3.475 N/A SER 27.A OG ASP 24.A OD2 no hydrogen 2.835 N/A HIS 28.A N TYR 25.A O no hydrogen 3.183 N/A GLY 33.A N ILE 99.A O no hydrogen 2.666 N/A ASP 37.A N ASN 34.A O no hydrogen 3.028 N/A TYR 38.A N GLN 35.A O no hydrogen 2.988 N/A TYR 38.A OH ASP 98.A OD2 no hydrogen 2.611 N/A GLN 39.A N ILE 56.A O no hydrogen 3.075 N/A VAL 41.A N GLU 54.A O no hydrogen 2.668 N/A ARG 42.A N GLU 54.A O no hydrogen 3.355 N/A ARG 42.A NE GLU 54.A OE1 no hydrogen 3.019 N/A ARG 42.A NH2 GLU 54.A OE1 no hydrogen 2.995 N/A LEU 44.A N VAL 52.A O no hydrogen 2.969 N/A LYS 48.A N GLY 45.A O no hydrogen 3.280 N/A LYS 48.A NZ ASP 119.A OD2 no hydrogen 3.535 N/A LYS 48.A NZ GLN 122.A OE1 no hydrogen 3.205 N/A TYR 49.A OH HIS 159.A O no hydrogen 2.535 N/A PHE 53.A N VAL 66.A O no hydrogen 2.841 N/A GLU 54.A N ARG 42.A O no hydrogen 2.875 N/A ALA 55.A N VAL 64.A O no hydrogen 2.854 N/A ILE 56.A N GLN 39.A O no hydrogen 2.901 N/A ASN 57.A N GLU 62.A O no hydrogen 2.869 N/A ILE 58.A N ASP 37.A O no hydrogen 2.880 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.018 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 2.521 N/A ASN 60.A N ASN 57.A O no hydrogen 3.229 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 3.127 N/A VAL 64.A N ALA 55.A O no hydrogen 2.864 N/A VAL 65.A N PHE 112.A O no hydrogen 3.012 N/A VAL 66.A N PHE 53.A O no hydrogen 2.885 N/A LYS 67.A N LEU 110.A O no hydrogen 2.776 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.945 N/A ILE 68.A N GLU 51.A O no hydrogen 2.890 N/A LEU 69.A N PRO 108.A O no hydrogen 3.174 N/A LYS 76.A N LYS 73.A O no hydrogen 3.128 N/A ILE 77.A N LYS 73.A O no hydrogen 3.404 N/A LYS 78.A N LYS 74.A O no hydrogen 3.100 N/A LYS 78.A NZ GLU 26.A O no hydrogen 3.148 N/A ARG 79.A N LYS 75.A O no hydrogen 3.108 N/A ARG 79.A NH2 GLY 176.A O no hydrogen 2.921 N/A GLU 80.A N LYS 76.A O no hydrogen 3.142 N/A ILE 81.A N ILE 77.A O no hydrogen 3.112 N/A LYS 82.A N LYS 78.A O no hydrogen 2.813 N/A LYS 82.A NZ GLU 21.A O no hydrogen 3.252 N/A ILE 83.A N ARG 79.A O no hydrogen 2.979 N/A LEU 84.A N GLU 80.A O no hydrogen 2.948 N/A GLU 85.A N ILE 81.A O no hydrogen 2.891 N/A ASN 86.A N LYS 82.A O no hydrogen 2.900 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 2.877 N/A LEU 87.A N ILE 83.A O no hydrogen 2.964 N/A ARG 88.A N GLU 85.A O no hydrogen 3.376 N/A ARG 88.A NE LEU 96.A O no hydrogen 3.058 N/A ARG 88.A NH2 LEU 96.A O no hydrogen 3.237 N/A GLY 90.A N LEU 87.A O no hydrogen 2.955 N/A ASN 92.A ND2 GLU 138.A O no hydrogen 2.846 N/A ASN 92.A ND2 GLU 138.A OE1 no hydrogen 2.713 N/A ILE 93.A N GLY 90.A O no hydrogen 3.306 N/A ILE 94.A N LEU 172.A O no hydrogen 3.458 N/A THR 95.A N GLU 113.A OE2 no hydrogen 3.297 N/A THR 95.A OG1 GLU 113.A OE2 no hydrogen 3.266 N/A ALA 97.A N VAL 111.A O no hydrogen 2.646 N/A ASP 98.A N VAL 111.A O no hydrogen 3.200 N/A ILE 99.A N ASP 98.A OD1 no hydrogen 2.686 N/A VAL 100.A N ALA 109.A O no hydrogen 3.062 N/A LYS 101.A NZ ARG 106.A O no hydrogen 3.244 N/A ASP 102.A N THR 107.A O no hydrogen 2.994 N/A SER 105.A N ASP 102.A OD2 no hydrogen 2.793 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 2.655 N/A SER 105.A OG THR 107.A OG1 no hydrogen 2.991 N/A ARG 106.A N ASP 102.A O no hydrogen 2.943 N/A ARG 106.A NE ASP 102.A O no hydrogen 3.424 N/A THR 107.A N SER 105.A OG no hydrogen 3.414 N/A THR 107.A OG1 SER 105.A OG no hydrogen 2.991 N/A ALA 109.A N VAL 100.A O no hydrogen 2.901 N/A LEU 110.A N LYS 67.A O no hydrogen 2.774 N/A VAL 111.A N ASP 98.A O no hydrogen 2.863 N/A PHE 112.A N VAL 65.A O no hydrogen 2.626 N/A GLU 113.A N THR 95.A O no hydrogen 2.999 N/A THR 118.A N ILE 163.A O no hydrogen 2.699 N/A GLN 122.A N ASP 119.A O no hydrogen 2.786 N/A THR 126.A OG1 THR 126.A O no hydrogen 2.476 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.076 N/A THR 128.A OG1 ASP 131.A OD2 no hydrogen 3.047 N/A ASP 131.A N THR 128.A OG1 no hydrogen 3.427 N/A ILE 132.A N THR 128.A O no hydrogen 3.178 N/A ARG 133.A N ASP 129.A O no hydrogen 3.291 N/A ARG 133.A NE ASP 129.A OD1 no hydrogen 3.181 N/A ARG 133.A NH1 GLU 295.A OE2 no hydrogen 3.054 N/A ARG 133.A NH1 TYR 322.A O no hydrogen 2.991 N/A ARG 133.A NH2 ASP 129.A OD2 no hydrogen 3.054 N/A ARG 133.A NH2 GLU 295.A OE2 no hydrogen 2.975 N/A PHE 134.A N TYR 130.A O no hydrogen 2.867 N/A TYR 135.A N ASP 131.A O no hydrogen 3.006 N/A TYR 135.A OH HIS 165.A ND1 no hydrogen 2.739 N/A MET 136.A N ILE 132.A O no hydrogen 2.945 N/A TYR 137.A N ARG 133.A O no hydrogen 3.023 N/A GLU 138.A N PHE 134.A O no hydrogen 3.089 N/A ILE 139.A N TYR 135.A O no hydrogen 3.019 N/A LEU 140.A N MET 136.A O no hydrogen 3.105 N/A LYS 141.A N TYR 137.A O no hydrogen 3.067 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 3.190 N/A LYS 141.A NZ GLN 330.A OE1 no hydrogen 3.166 N/A ALA 142.A N GLU 138.A O no hydrogen 3.392 N/A LEU 143.A N ILE 139.A O no hydrogen 2.959 N/A ASP 144.A N LEU 140.A O no hydrogen 2.783 N/A TYR 145.A N LYS 141.A O no hydrogen 3.099 N/A CYS 146.A N ALA 142.A O no hydrogen 2.934 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.623 N/A CYS 146.A SG LEU 143.A O no hydrogen 3.564 N/A CYS 146.A SG ILE 151.A O no hydrogen 3.572 N/A HIS 147.A N LEU 143.A O no hydrogen 2.995 N/A HIS 147.A NE2 ASP 213.A OD2 no hydrogen 2.675 N/A SER 148.A N ASP 144.A O no hydrogen 2.944 N/A SER 148.A OG ASP 144.A O no hydrogen 3.323 N/A SER 148.A OG TYR 145.A O no hydrogen 2.672 N/A MET 149.A N TYR 145.A O no hydrogen 3.000 N/A MET 149.A N CYS 146.A O no hydrogen 3.042 N/A GLY 150.A N HIS 147.A O no hydrogen 2.845 N/A ILE 151.A N CYS 146.A O no hydrogen 2.835 N/A MET 152.A N GLU 179.A O no hydrogen 2.889 N/A HIS 153.A N ASP 213.A OD2 no hydrogen 3.064 N/A HIS 153.A NE2 ILE 173.A O no hydrogen 2.933 N/A ARG 154.A N ASP 213.A OD1 no hydrogen 2.918 N/A ARG 154.A NE LEU 177.A O no hydrogen 2.745 N/A ARG 154.A NH2 LEU 177.A O no hydrogen 2.901 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.103 N/A LYS 157.A NZ SER 193.A OG no hydrogen 2.718 N/A HIS 159.A NE2 LYS 48.A O no hydrogen 3.115 N/A ASN 160.A N LYS 157.A O no hydrogen 2.972 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.966 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 3.111 N/A VAL 161.A N PRO 158.A O no hydrogen 3.071 N/A MET 162.A N ARG 171.A O no hydrogen 2.812 N/A ASP 164.A N LYS 169.A O no hydrogen 2.898 N/A HIS 165.A ND1 TYR 135.A OH no hydrogen 2.739 N/A HIS 167.A ND1 ASP 164.A OD2 no hydrogen 2.696 N/A ARG 168.A NH1 ASP 131.A OD1 no hydrogen 3.272 N/A ARG 168.A NH2 ASP 131.A OD1 no hydrogen 3.450 N/A LYS 169.A N ASP 164.A O no hydrogen 2.944 N/A ARG 171.A N MET 162.A O no hydrogen 2.839 N/A ARG 171.A NE GLU 113.A OE2 no hydrogen 3.117 N/A ARG 171.A NH1 LEU 170.A O no hydrogen 2.910 N/A LEU 172.A N ASN 92.A O no hydrogen 2.911 N/A ILE 173.A N ASN 160.A O no hydrogen 2.936 N/A TRP 175.A NE1 LEU 172.A O no hydrogen 3.048 N/A GLY 176.A N ASP 174.A OD1 no hydrogen 3.461 N/A ALA 178.A N TRP 175.A O no hydrogen 3.227 N/A GLU 179.A N MET 152.A O no hydrogen 3.039 N/A PHE 180.A N GLU 179.A OE2 no hydrogen 2.762 N/A TYR 181.A N GLY 150.A O no hydrogen 2.929 N/A HIS 182.A N TYR 187.A OH no hydrogen 2.698 N/A GLN 185.A N HIS 182.A O no hydrogen 3.037 N/A TYR 187.A N GLN 206.A O no hydrogen 2.805 N/A TYR 187.A OH PHE 180.A O no hydrogen 2.655 N/A ARG 194.A NH1 GLY 234.A O no hydrogen 3.565 N/A PHE 196.A N SER 193.A O no hydrogen 2.926 N/A LYS 197.A N ARG 194.A O no hydrogen 3.350 N/A LYS 197.A NZ VAL 191.A O no hydrogen 2.547 N/A LYS 197.A NZ ALA 192.A O no hydrogen 3.198 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.689 N/A LEU 201.A N GLY 198.A O no hydrogen 2.942 N/A LEU 202.A N GLY 198.A O no hydrogen 3.331 N/A VAL 203.A N PRO 199.A O no hydrogen 2.965 N/A ASP 204.A N LEU 201.A O no hydrogen 3.213 N/A TYR 205.A N GLU 200.A O no hydrogen 2.714 N/A TYR 205.A OH VAL 4.A O no hydrogen 2.455 N/A TYR 208.A OH ASN 188.A O no hydrogen 2.615 N/A TYR 210.A OH TYR 11.A O no hydrogen 2.587 N/A SER 211.A N ASP 209.A OD1 no hydrogen 2.905 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.687 N/A SER 211.A OG HIS 308.A O no hydrogen 3.309 N/A LEU 212.A N ASP 209.A O no hydrogen 3.161 N/A ASP 213.A N TYR 210.A O no hydrogen 2.942 N/A MET 214.A N SER 211.A O no hydrogen 3.052 N/A TRP 215.A N SER 211.A O no hydrogen 3.314 N/A TRP 215.A N LEU 212.A O no hydrogen 3.143 N/A SER 216.A N LEU 212.A O no hydrogen 3.367 N/A SER 216.A OG PHE 196.A O no hydrogen 2.859 N/A LEU 217.A N ASP 213.A O no hydrogen 3.017 N/A GLY 218.A N MET 214.A O no hydrogen 3.075 N/A CYS 219.A N TRP 215.A O no hydrogen 2.981 N/A CYS 219.A SG TYR 195.A O no hydrogen 3.667 N/A CYS 219.A SG TRP 215.A O no hydrogen 3.623 N/A MET 220.A N SER 216.A O no hydrogen 3.098 N/A LEU 221.A N LEU 217.A O no hydrogen 2.969 N/A ALA 222.A N GLY 218.A O no hydrogen 2.906 N/A SER 223.A N CYS 219.A O no hydrogen 3.091 N/A SER 223.A OG LYS 228.A O no hydrogen 3.031 N/A MET 224.A N MET 220.A O no hydrogen 3.098 N/A ILE 225.A N LEU 221.A O no hydrogen 3.147 N/A PHE 226.A N ALA 222.A O no hydrogen 3.157 N/A LYS 228.A N SER 223.A O no hydrogen 3.083 N/A LYS 228.A NZ PRO 230.A O no hydrogen 3.334 N/A LYS 228.A NZ PHE 231.A O no hydrogen 2.930 N/A GLY 234.A N GLN 240.A OE1 no hydrogen 3.015 N/A HIS 235.A N ASP 239.A OD2 no hydrogen 2.951 N/A ASP 239.A N ASP 236.A OD1 no hydrogen 2.775 N/A GLN 240.A N ASP 236.A O no hydrogen 2.983 N/A GLN 240.A NE2 PHE 232.A O no hydrogen 3.104 N/A VAL 242.A N TYR 238.A O no hydrogen 3.159 N/A ARG 243.A N ASP 239.A O no hydrogen 2.975 N/A ARG 243.A NE ASP 239.A OD2 no hydrogen 2.697 N/A ILE 244.A N GLN 240.A O no hydrogen 3.140 N/A ALA 245.A N LEU 241.A O no hydrogen 2.806 N/A LYS 246.A N VAL 242.A O no hydrogen 2.916 N/A VAL 247.A N ILE 244.A O no hydrogen 3.028 N/A LEU 248.A N ILE 244.A O no hydrogen 2.884 N/A GLY 249.A N ALA 245.A O no hydrogen 2.797 N/A THR 250.A N HIS 275.A O no hydrogen 2.846 N/A THR 250.A OG1 HIS 275.A O no hydrogen 3.065 N/A TYR 254.A N THR 250.A O no hydrogen 3.025 N/A TYR 254.A OH GLY 273.A O no hydrogen 3.078 N/A ASP 255.A N GLU 251.A O no hydrogen 3.274 N/A TYR 256.A N ASP 252.A O no hydrogen 3.085 N/A TYR 256.A OH HIS 308.A ND1 no hydrogen 3.072 N/A ILE 257.A N LEU 253.A O no hydrogen 2.956 N/A ASP 258.A N TYR 254.A O no hydrogen 2.927 N/A LYS 259.A N ASP 255.A O no hydrogen 2.847 N/A LYS 259.A NZ TYR 260.A OH no hydrogen 2.875 N/A TYR 260.A N TYR 256.A O no hydrogen 3.353 N/A TYR 260.A OH ASP 307.A OD1 no hydrogen 2.674 N/A ASN 261.A N ASP 258.A O no hydrogen 3.072 N/A ASN 261.A ND2 ASN 261.A O no hydrogen 2.710 N/A ILE 262.A N ILE 257.A O no hydrogen 2.872 N/A ARG 267.A N ASP 265.A OD1 no hydrogen 2.832 N/A PHE 268.A N ASP 265.A O no hydrogen 2.904 N/A ILE 271.A N ARG 267.A O no hydrogen 3.134 N/A LEU 272.A N PHE 268.A O no hydrogen 2.895 N/A GLY 273.A N ASN 269.A O no hydrogen 3.152 N/A HIS 275.A N THR 250.A OG1 no hydrogen 2.789 N/A ARG 277.A NH2 ASP 252.A OD2 no hydrogen 2.999 N/A LYS 278.A N VAL 247.A O no hydrogen 2.786 N/A TRP 280.A NE1 ASP 301.A OD1 no hydrogen 3.170 N/A ARG 282.A N ARG 279.A O no hydrogen 2.979 N/A PHE 283.A N TRP 280.A O no hydrogen 3.357 N/A VAL 284.A N GLU 281.A O no hydrogen 3.230 N/A HIS 285.A N ASN 288.A OD1 no hydrogen 2.778 N/A GLU 287.A N HIS 285.A ND1 no hydrogen 3.018 N/A ASN 288.A N HIS 285.A O no hydrogen 3.223 N/A ASN 288.A ND2 PHE 226.A O no hydrogen 2.778 N/A ASN 288.A ND2 PHE 283.A O no hydrogen 3.134 N/A LEU 291.A N ASN 288.A O no hydrogen 3.196 N/A VAL 292.A N GLN 289.A O no hydrogen 3.252 N/A GLU 295.A N GLU 295.A OE1 no hydrogen 2.814 N/A ALA 296.A N SER 293.A OG no hydrogen 3.278 N/A LEU 297.A N SER 293.A O no hydrogen 3.022 N/A ASP 298.A N PRO 294.A O no hydrogen 3.055 N/A PHE 299.A N GLU 295.A O no hydrogen 2.963 N/A LEU 300.A N ALA 296.A O no hydrogen 2.987 N/A ASP 301.A N LEU 297.A O no hydrogen 2.941 N/A LYS 302.A N ASP 298.A O no hydrogen 3.197 N/A LYS 302.A N PHE 299.A O no hydrogen 3.155 N/A LYS 302.A NZ ASP 298.A OD2 no hydrogen 3.003 N/A LEU 303.A N LEU 300.A O no hydrogen 3.099 N/A LEU 304.A N LEU 300.A O no hydrogen 3.035 N/A ARG 305.A N LEU 303.A O no hydrogen 3.020 N/A ARG 305.A NE ASP 301.A O no hydrogen 2.877 N/A ARG 305.A NH2 ASP 301.A OD2 no hydrogen 3.470 N/A TYR 306.A OH GLY 249.A O no hydrogen 2.774 N/A HIS 308.A ND1 TYR 256.A OH no hydrogen 3.072 N/A HIS 308.A NE2 SER 6.A OG no hydrogen 3.052 N/A GLN 309.A N ASP 307.A OD1 no hydrogen 3.110 N/A GLN 309.A NE2 SER 6.A OG no hydrogen 2.783 N/A SER 310.A N ASP 307.A O no hydrogen 2.858 N/A ARG 311.A NE ARG 305.A O no hydrogen 2.786 N/A ARG 311.A NH1 GLU 200.A OE1 no hydrogen 3.371 N/A ARG 311.A NH1 GLU 200.A OE2 no hydrogen 2.766 N/A ARG 311.A NH1 SER 211.A O no hydrogen 3.025 N/A ARG 311.A NH2 GLU 200.A OE1 no hydrogen 2.620 N/A ARG 311.A NH2 GLU 200.A OE2 no hydrogen 3.484 N/A ARG 311.A NH2 ARG 305.A O no hydrogen 3.414 N/A ARG 311.A NH2 TYR 306.A O no hydrogen 3.173 N/A LEU 312.A N LYS 302.A O no hydrogen 3.169 N/A THR 313.A N GLU 316.A OE1 no hydrogen 2.998 N/A ARG 315.A NH2 ASP 144.A OD2 no hydrogen 2.673 N/A GLU 316.A N THR 313.A OG1 no hydrogen 3.036 N/A ALA 317.A N THR 313.A O no hydrogen 2.873 N/A MET 318.A N ALA 314.A O no hydrogen 2.955 N/A GLU 319.A N GLU 316.A O no hydrogen 3.294 N/A HIS 320.A N ALA 317.A O no hydrogen 3.026 N/A HIS 320.A NE2 ASP 298.A OD2 no hydrogen 2.631 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 2.986 N/A PHE 323.A N HIS 320.A O no hydrogen 2.964 N/A TYR 324.A N PRO 321.A O no hydrogen 3.018 N/A VAL 327.A N PHE 323.A O no hydrogen 2.859 N/A LYS 328.A N TYR 324.A O no hydrogen 3.223 N/A ASP 329.A N THR 325.A O no hydrogen 2.838 N/A GLN 330.A N VAL 326.A O no hydrogen 2.990 N/A GLN 330.A NE2 GLU 138.A OE2 no hydrogen 3.095 N/A ALA 331.A N VAL 327.A O no hydrogen 3.144 N/A ARG 332.A N ASP 329.A O no hydrogen 3.467 N/A GLY 334.A N GLN 330.A O no hydrogen 3.081 N/A