Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 10.A N ASN 320.A OD1 no hydrogen 2.920 N/A ASN 10.A ND2 THR 27.A O no hydrogen 3.237 N/A SER 12.A N ASN 10.A OD1 no hydrogen 3.028 N/A SER 12.A OG VAL 26.A O no hydrogen 3.041 N/A SER 12.A OG THR 27.A O no hydrogen 3.433 N/A ASP 14.A N SER 12.A OG no hydrogen 3.335 N/A THR 15.A OG1 VAL 24.A O no hydrogen 3.539 N/A VAL 16.A N VAL 24.A O no hydrogen 2.980 N/A THR 18.A N GLU 21.A O no hydrogen 2.766 N/A THR 18.A OG1 GLU 21.A O no hydrogen 3.453 N/A LEU 20.A N THR 18.A OG1 no hydrogen 3.095 N/A GLU 21.A N THR 18.A O no hydrogen 3.204 N/A GLU 21.A N THR 18.A OG1 no hydrogen 2.862 N/A LYS 22.A NZ THR 18.A O no hydrogen 3.378 N/A ASN 23.A N ASP 17.A OD2 no hydrogen 2.900 N/A VAL 24.A N VAL 16.A O no hydrogen 2.723 N/A VAL 26.A N ASP 14.A O no hydrogen 3.211 N/A THR 27.A N LEU 318.A O no hydrogen 2.893 N/A THR 27.A OG1 HIS 28.A ND1 no hydrogen 2.778 N/A HIS 28.A ND1 THR 27.A OG1 no hydrogen 2.778 N/A SER 29.A OG ASP 14.A OD2 no hydrogen 3.503 N/A VAL 30.A N LEU 314.A O no hydrogen 2.953 N/A LEU 32.A N LEU 312.A O no hydrogen 3.040 N/A LEU 33.A N ASN 31.A OD1 no hydrogen 2.949 N/A GLU 34.A N PHE 292.A O no hydrogen 2.854 N/A LYS 36.A N GLU 34.A OE1 no hydrogen 2.677 N/A LYS 36.A NZ ASP 35.A OD1 no hydrogen 3.362 N/A ASN 38.A N ALA 285.A O no hydrogen 3.160 N/A GLY 39.A N HIS 37.A ND1 no hydrogen 2.969 N/A LYS 40.A N ASN 38.A OD1 no hydrogen 3.024 N/A LEU 41.A N PRO 271.A O no hydrogen 2.816 N/A CYS 42.A N GLN 280.A OE1 no hydrogen 2.750 N/A LYS 43.A N CYS 275.A O no hydrogen 2.758 N/A LYS 43.A NZ ASP 274.A OD1 no hydrogen 3.382 N/A LEU 44.A N VAL 47.A O no hydrogen 2.983 N/A ARG 45.A N THR 277.A O no hydrogen 3.248 N/A VAL 47.A N LEU 44.A O no hydrogen 3.220 N/A LEU 50.A N TYR 78.A O no hydrogen 2.697 N/A LEU 52.A N VAL 80.A O no hydrogen 2.943 N/A GLY 53.A N HIS 51.A ND1 no hydrogen 2.909 N/A CYS 55.A N LEU 52.A O no hydrogen 3.083 N/A ASN 56.A N ASN 87.A O no hydrogen 3.303 N/A ILE 57.A N GLU 81.A OE2 no hydrogen 2.823 N/A ALA 58.A N TYR 98.A OH no hydrogen 3.078 N/A GLY 59.A N ASN 56.A OD1 no hydrogen 2.910 N/A TRP 60.A N ASN 56.A O no hydrogen 3.123 N/A TRP 60.A NE1 THR 72.A OG1 no hydrogen 3.228 N/A ILE 61.A N ILE 57.A O no hydrogen 2.915 N/A LEU 62.A N ALA 58.A O no hydrogen 3.028 N/A GLY 63.A N GLY 59.A O no hydrogen 2.992 N/A GLY 63.A N TRP 60.A O no hydrogen 3.190 N/A ASN 64.A N GLY 59.A O no hydrogen 2.662 N/A ASN 64.A ND2 GLY 88.A O no hydrogen 2.974 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 2.939 N/A CYS 67.A N ASN 64.A O no hydrogen 2.807 N/A CYS 67.A SG ASN 64.A O no hydrogen 3.649 N/A LEU 70.A N THR 72.A OG1 no hydrogen 2.888 N/A TRP 76.A N VAL 108.A O no hydrogen 3.151 N/A TRP 76.A NE1 LEU 105.A O no hydrogen 2.861 N/A SER 77.A N ALA 48.A O no hydrogen 3.131 N/A SER 77.A OG VAL 47.A O no hydrogen 2.620 N/A TYR 78.A OH CYS 42.A O no hydrogen 2.816 N/A ILE 79.A N GLY 264A.A O no hydrogen 3.433 N/A VAL 80.A N LEU 50.A O no hydrogen 2.716 N/A GLU 81.A N ILE 266.A O no hydrogen 2.817 N/A THR 82.A N SER 85.A OG no hydrogen 3.253 N/A THR 82.A OG1 GLY 53.A O no hydrogen 3.325 N/A THR 82.A OG1 SER 85.A OG no hydrogen 3.025 N/A SER 84.A N THR 82.A OG1 no hydrogen 3.340 N/A SER 85.A N THR 82.A O no hydrogen 3.122 N/A SER 85.A OG GLY 53.A O no hydrogen 2.998 N/A SER 85.A OG CYS 55.A O no hydrogen 3.113 N/A SER 85.A OG THR 82.A O no hydrogen 3.032 N/A SER 85.A OG THR 82.A OG1 no hydrogen 3.025 N/A ASP 86.A N LYS 54.A O no hydrogen 3.172 N/A ASN 87.A N LYS 54.A O no hydrogen 3.231 N/A TYR 91.A N TYR 145.A OH no hydrogen 3.033 N/A ASP 94.A N ASN 228.A OD1 no hydrogen 2.860 N/A ILE 96.A N TYR 229.A O no hydrogen 3.098 N/A TYR 98.A N PHE 95.A O no hydrogen 3.192 N/A LEU 101.A N ASP 97.A O no hydrogen 3.067 N/A ARG 102.A N TYR 98.A O no hydrogen 2.941 N/A ARG 102.A NH1 GLU 81.A OE2 no hydrogen 2.697 N/A ARG 102.A NH1 TYR 98.A OH no hydrogen 3.082 N/A ARG 102.A NH2 GLU 81.A OE1 no hydrogen 3.047 N/A GLU 103.A N GLU 99.A O no hydrogen 3.002 N/A GLN 104.A N GLU 100.A O no hydrogen 2.912 N/A GLN 104.A NE2 GLU 100.A OE1 no hydrogen 3.051 N/A LEU 105.A N LEU 101.A O no hydrogen 2.842 N/A SER 106.A N GLU 103.A O no hydrogen 3.172 N/A SER 106.A OG GLU 103.A O no hydrogen 2.653 N/A SER 106.A OG GLY 262.A O no hydrogen 3.110 N/A VAL 108.A N TRP 76.A O no hydrogen 3.296 N/A SER 109.A N GLU 258.A O no hydrogen 2.889 N/A SER 109.A OG GLU 258.A O no hydrogen 2.925 N/A SER 109.A OG ASN 260.A OD1 no hydrogen 2.723 N/A ARG 113.A NE ASN 147.A OD1 no hydrogen 3.077 N/A ARG 113.A NH2 ASN 147.A OD1 no hydrogen 3.107 N/A PHE 114.A N ALA 254.A O no hydrogen 3.085 N/A PHE 117.A N ARG 252.A O no hydrogen 3.324 N/A LYS 119.A N GLU 115.A OE2 no hydrogen 3.227 N/A LYS 119.A NZ SER 128.A O no hydrogen 3.161 N/A SER 122.A N PRO 118.A O no hydrogen 3.061 N/A SER 122.A OG PRO 118.A O no hydrogen 2.787 N/A HIS 126.A N TRP 123.A O no hydrogen 3.411 N/A HIS 126.A NE2 PRO 159.A O no hydrogen 2.897 N/A ASP 127.A N VAL 152.A O no hydrogen 2.887 N/A SER 128.A OG LYS 119.A O no hydrogen 3.231 N/A ASN 129.A N ASP 127.A OD2 no hydrogen 2.871 N/A VAL 132.A N LYS 130A.A O no hydrogen 2.777 N/A THR 133.A N SER 143.A O no hydrogen 2.862 N/A ALA 135.A N THR 133.A OG1 no hydrogen 3.097 N/A CYS 136.A N THR 133.A O no hydrogen 3.137 N/A HIS 138.A N ALA 141.A O no hydrogen 2.836 N/A SER 143.A N THR 133.A O no hydrogen 3.306 N/A PHE 144.A N SER 143.A OG no hydrogen 2.649 N/A TYR 145.A OH TYR 229.A OH no hydrogen 2.481 N/A LYS 146.A N GLY 63.A O no hydrogen 2.836 N/A ASN 147.A N LEU 62.A O no hydrogen 3.175 N/A ASN 147.A ND2 ILE 61.A O no hydrogen 2.983 N/A ILE 149.A N VAL 250.A O no hydrogen 2.744 N/A TRP 150.A NE1 TYR 192.A OH no hydrogen 2.825 N/A VAL 152.A N ASP 127.A O no hydrogen 3.091 N/A LYS 153.A N LEU 191.A O no hydrogen 2.997 N/A LYS 153.A NZ GLN 189.A O no hydrogen 3.159 N/A LYS 153.A NZ SER 190.A O no hydrogen 3.544 N/A LYS 154.A NZ PRO 124.A O no hydrogen 2.809 N/A SER 157.A N LYS 154.A O no hydrogen 3.329 N/A LYS 160.A NZ GLU 243.A OE2 no hydrogen 3.133 N/A LEU 161.A N ALA 244.A O no hydrogen 2.717 N/A LYS 163.A N PHE 242.A O no hydrogen 2.978 N/A LYS 163.A NZ SER 122.A O no hydrogen 2.768 N/A SER 164.A OG THR 241.A OG1 no hydrogen 2.698 N/A TYR 165.A N ILE 240.A O no hydrogen 2.842 N/A ASN 167.A N ASP 238.A O no hydrogen 2.884 N/A ASN 167.A ND2 LYS 171.A O no hydrogen 2.838 N/A ASN 167.A ND2 VAL 234.A O no hydrogen 2.773 N/A LYS 171.A NZ SER 110A.A OG no hydrogen 3.093 N/A VAL 173.A N VAL 234.A O no hydrogen 2.938 N/A LEU 174.A N PHE 255.A O no hydrogen 2.806 N/A VAL 175.A N THR 232.A O no hydrogen 3.035 N/A TRP 177.A N TYR 230.A O no hydrogen 3.012 N/A GLY 178.A N VAL 249.A O no hydrogen 3.044 N/A ILE 179.A N ASN 228.A O no hydrogen 2.912 N/A HIS 180.A N ASN 247.A O no hydrogen 2.868 N/A HIS 180.A NE2 TYR 91.A OH no hydrogen 3.028 N/A HIS 181.A N ARG 226.A O no hydrogen 2.761 N/A SER 183.A OG ASP 187.A OD1 no hydrogen 3.078 N/A ASP 187.A N THR 184.A OG1 no hydrogen 3.167 N/A GLN 188.A N THR 184.A O no hydrogen 2.952 N/A GLN 188.A NE2 ASN 194.A O no hydrogen 3.347 N/A GLN 188.A NE2 ASN 247.A OD1 no hydrogen 2.875 N/A GLN 189.A N SER 185.A O no hydrogen 3.023 N/A SER 190.A N ALA 186.A O no hydrogen 2.865 N/A LEU 191.A N ASP 187.A O no hydrogen 3.002 N/A LEU 191.A N GLN 188.A O no hydrogen 3.352 N/A TYR 192.A N GLN 188.A O no hydrogen 2.798 N/A TYR 192.A OH HIS 180.A ND1 no hydrogen 2.766 N/A GLN 193.A N GLN 189.A O no hydrogen 2.685 N/A GLN 193.A NE2 ASN 156.A O no hydrogen 3.008 N/A ASN 194.A N TYR 192.A O no hydrogen 2.505 N/A ASN 194.A ND2 TYR 158.A O no hydrogen 2.841 N/A ASN 194.A ND2 THR 245.A O no hydrogen 2.901 N/A THR 197.A OG1 ASN 247.A OD1 no hydrogen 2.641 N/A TYR 198.A N THR 245.A OG1 no hydrogen 3.195 N/A TYR 198.A OH GLU 243.A OE2 no hydrogen 2.737 N/A VAL 199.A N PHE 210.A O no hydrogen 2.836 N/A PHE 200.A N GLU 243.A O no hydrogen 2.643 N/A VAL 201.A N LYS 208.A O no hydrogen 3.163 N/A CYS 202.A N THR 241.A O no hydrogen 3.228 N/A SER 203.A N TYR 206.A O no hydrogen 2.820 N/A SER 204.A N ASP 238.A OD2 no hydrogen 2.958 N/A SER 204.A OG ASP 238.A OD1 no hydrogen 2.645 N/A ARG 205.A N SER 203.A OG no hydrogen 3.203 N/A TYR 206.A N SER 203.A OG no hydrogen 3.108 N/A LYS 208.A N VAL 201.A O no hydrogen 3.110 N/A PHE 210.A N VAL 199.A O no hydrogen 2.613 N/A LYS 211.A NZ ASP 196.A OD1 no hydrogen 3.156 N/A LYS 211.A NZ ASP 196.A OD2 no hydrogen 3.367 N/A LYS 211.A NZ THR 197.A O no hydrogen 3.086 N/A GLU 213.A N HIS 181.A ND1 no hydrogen 2.724 N/A CYS 217.A N GLU 224.A O no hydrogen 3.114 N/A VAL 220.A N GLN 223.A O no hydrogen 2.962 N/A ARG 221.A NE CYS 90.A O no hydrogen 2.998 N/A ARG 221.A NE ALA 135.A O no hydrogen 3.018 N/A ARG 221.A NH2 ALA 135.A O no hydrogen 2.817 N/A GLN 223.A N VAL 220.A O no hydrogen 3.094 N/A ARG 226.A N HIS 181.A O no hydrogen 2.890 N/A ARG 226.A NH1 PRO 218.A O no hydrogen 3.250 N/A ARG 226.A NH1 GLN 223.A O no hydrogen 3.216 N/A ARG 226.A NH1 GLY 225.A O no hydrogen 2.984 N/A ARG 226.A NH2 PRO 218.A O no hydrogen 2.859 N/A MET 227.A N PRO 92.A O no hydrogen 2.763 N/A ASN 228.A N ILE 179.A O no hydrogen 3.148 N/A TYR 229.A N ASP 94.A O no hydrogen 2.902 N/A TYR 229.A OH TYR 91.A O no hydrogen 2.585 N/A TYR 230.A N TRP 177.A O no hydrogen 2.927 N/A TRP 231.A NE1 ILE 96.A O no hydrogen 3.051 N/A THR 232.A N VAL 175.A O no hydrogen 3.089 N/A VAL 234.A N VAL 173.A O no hydrogen 2.756 N/A GLY 237.A N ASN 167.A O no hydrogen 3.190 N/A ASP 238.A N GLU 235.A O no hydrogen 3.141 N/A ILE 240.A N TYR 165.A O no hydrogen 2.882 N/A THR 241.A N CYS 202.A O no hydrogen 2.899 N/A THR 241.A OG1 SER 164.A OG no hydrogen 2.698 N/A PHE 242.A N LYS 163.A O no hydrogen 2.743 N/A GLU 243.A N PHE 200.A O no hydrogen 2.829 N/A ALA 244.A N LEU 161.A O no hydrogen 2.963 N/A THR 245.A N TYR 198.A O no hydrogen 3.215 N/A ASN 247.A ND2 HIS 180.A O no hydrogen 2.790 N/A ASN 247.A ND2 GLN 188.A OE1 no hydrogen 3.032 N/A VAL 249.A N GLY 178.A O no hydrogen 2.981 N/A ARG 252.A N ASN 147.A O no hydrogen 2.791 N/A ARG 252.A NE GLU 115.A OE2 no hydrogen 2.985 N/A ARG 252.A NH2 GLU 115.A OE2 no hydrogen 3.376 N/A TYR 253.A N ASN 147.A O no hydrogen 3.145 N/A ALA 254.A N PHE 114.A O no hydrogen 2.930 N/A PHE 255.A N LEU 174.A O no hydrogen 3.127 N/A ALA 256.A N GLU 112C.A O no hydrogen 2.755 N/A MET 257.A N GLU 172.A O no hydrogen 3.048 N/A GLU 258.A N SER 110A.A O no hydrogen 2.837 N/A ARG 259.A NH1 GLU 172.A OE1 no hydrogen 2.813 N/A ASN 260.A N SER 107.A O no hydrogen 2.987 N/A ASN 260.A ND2 SER 107.A OG no hydrogen 2.927 N/A SER 263.A OG SER 77.A O no hydrogen 2.577 N/A ILE 266.A N ILE 79.A O no hydrogen 2.774 N/A SER 268.A N GLU 81.A O no hydrogen 2.871 N/A SER 268.A OG THR 270.A OG1 no hydrogen 2.906 N/A SER 268.A OG PRO 282.A O no hydrogen 2.747 N/A THR 270.A N SER 268.A OG no hydrogen 2.712 N/A THR 270.A OG1 SER 268.A OG no hydrogen 2.906 N/A THR 270.A OG1 PRO 282.A O no hydrogen 3.090 N/A HIS 273.A N LEU 41.A O no hydrogen 2.868 N/A CYS 275.A SG LEU 41.A O no hydrogen 4.025 N/A THR 277.A N LYS 43.A O no hydrogen 2.886 N/A THR 277.A OG1 CYS 279.A O no hydrogen 2.940 N/A CYS 279.A N THR 277.A OG1 no hydrogen 3.190 N/A GLN 280.A N ILE 300.A O no hydrogen 2.808 N/A GLN 280.A NE2 LYS 40.A O no hydrogen 3.038 N/A GLN 280.A NE2 THR 281.A O no hydrogen 2.815 N/A THR 281.A N GLY 284.A O no hydrogen 3.044 N/A GLY 284.A N THR 281.A O no hydrogen 3.110 N/A ALA 285.A N ASN 38.A OD1 no hydrogen 2.742 N/A ILE 286.A N CYS 279.A O no hydrogen 2.820 N/A THR 288.A OG1 GLU 34.A OE2 no hydrogen 3.056 N/A LEU 290.A N THR 288.A OG1 no hydrogen 3.050 N/A GLN 293.A N LYS 305.A O no hydrogen 2.954 N/A GLN 293.A NE2 HIS 296.A O no hydrogen 3.056 N/A GLN 293.A NE2 PRO 304.A O no hydrogen 3.659 N/A ASN 294.A N GLU 34.A O no hydrogen 3.293 N/A ASN 294.A ND2 SER 309.A O no hydrogen 3.194 N/A ILE 295.A N GLN 293.A OE1 no hydrogen 2.945 N/A HIS 296.A N GLN 293.A OE1 no hydrogen 3.380 N/A ILE 298.A N HIS 296.A ND1 no hydrogen 2.887 N/A ILE 300.A N GLN 280.A O no hydrogen 2.899 N/A LYS 302.A N THR 278.A O no hydrogen 2.921 N/A CYS 303.A SG THR 299.A OG1 no hydrogen 3.393 N/A CYS 303.A SG ILE 300.A O no hydrogen 3.703 N/A LYS 305.A N PRO 291.A O no hydrogen 3.072 N/A VAL 307.A N GLN 293.A O no hydrogen 2.853 N/A LYS 311.A NZ THR 15.A O no hydrogen 3.238 N/A LEU 312.A N ASN 31.A OD1 no hydrogen 3.278 N/A ARG 313.A NE SER 29.A OG no hydrogen 3.211 N/A ARG 313.A NH2 SER 29.A O no hydrogen 3.566 N/A LEU 314.A N VAL 30.A O no hydrogen 2.728 N/A THR 316.A N HIS 28.A O no hydrogen 3.124 N/A GLY 317.A N HIS 28.A O no hydrogen 2.898 N/A LEU 318.A N THR 27.A OG1 no hydrogen 3.145 N/A ARG 319.A NH1 GLU 21.A OE2 no hydrogen 2.940 N/A ARG 319.A NH2 GLU 21.A OE2 no hydrogen 3.551 N/A ASN 320.A N THR 25.A O no hydrogen 2.898 N/A ASN 320.A ND2 ASN 10.A O no hydrogen 2.999 N/A GLU 112C.A N ALA 256.A O no hydrogen 2.728 N/A