Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jts_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 3.089 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.916 N/A MET 5.A N CYS 101.A O no hydrogen 3.270 N/A ARG 6.A N TYR 27.A O no hydrogen 2.810 N/A ARG 6.A NE ASP 102.A OD1 no hydrogen 3.074 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.524 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 2.895 N/A TYR 7.A N TYR 99.A O no hydrogen 2.952 N/A PHE 8.A N VAL 25.A O no hydrogen 2.935 N/A TYR 9.A N ARG 97.A O no hydrogen 2.718 N/A THR 10.A N ILE 23.A O no hydrogen 2.763 N/A SER 11.A N ILE 95.A O no hydrogen 2.714 N/A MET 12.A N ARG 21.A O no hydrogen 2.926 N/A SER 13.A N HIS 93.A O no hydrogen 3.014 N/A SER 13.A OG HIS 93.A O no hydrogen 3.170 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.955 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.439 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.024 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.884 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.504 N/A ARG 21.A N MET 12.A O no hydrogen 2.729 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.936 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.133 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.243 N/A PHE 22.A N SER 38.A OG no hydrogen 3.053 N/A ILE 23.A N THR 10.A O no hydrogen 3.005 N/A ALA 24.A N PHE 36.A O no hydrogen 3.026 N/A VAL 25.A N PHE 8.A O no hydrogen 3.111 N/A GLY 26.A N VAL 34.A O no hydrogen 3.254 N/A TYR 27.A N ARG 6.A O no hydrogen 2.816 N/A VAL 28.A N THR 31.A O no hydrogen 2.817 N/A ASP 29.A N SER 4.A O no hydrogen 2.703 N/A THR 31.A N VAL 28.A O no hydrogen 2.954 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.866 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.253 N/A PHE 33.A N GLY 26.A O no hydrogen 2.917 N/A ARG 35.A N GLU 46.A O no hydrogen 3.102 N/A PHE 36.A N ALA 24.A O no hydrogen 2.928 N/A SER 38.A N PHE 22.A O no hydrogen 3.060 N/A SER 38.A OG PHE 22.A O no hydrogen 3.227 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.115 N/A ALA 40.A N ASP 37.A O no hydrogen 2.720 N/A ARG 44.A N SER 42.A OG no hydrogen 3.250 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.757 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.088 N/A GLU 46.A N ARG 35.A O no hydrogen 2.915 N/A ARG 48.A N PHE 33.A O no hydrogen 2.419 N/A VAL 52.A N ALA 49.A O no hydrogen 3.270 N/A GLU 53.A N PRO 50.A O no hydrogen 3.033 N/A GLU 55.A N VAL 52.A O no hydrogen 3.021 N/A TYR 59.A N GLY 56.A O no hydrogen 2.681 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.801 N/A ASP 61.A N PRO 57.A O no hydrogen 2.974 N/A ARG 62.A N GLU 58.A O no hydrogen 3.333 N/A ARG 62.A N TYR 59.A O no hydrogen 3.018 N/A GLU 63.A N TYR 59.A O no hydrogen 3.029 N/A THR 64.A N TRP 60.A O no hydrogen 2.923 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.958 N/A ARG 65.A N ASP 61.A O no hydrogen 3.184 N/A ASN 66.A N ARG 62.A O no hydrogen 3.492 N/A MET 67.A N GLU 63.A O no hydrogen 3.029 N/A LYS 68.A N THR 64.A O no hydrogen 2.950 N/A ALA 69.A N ARG 65.A O no hydrogen 2.923 N/A THR 71.A N MET 67.A O no hydrogen 2.929 N/A THR 71.A OG1 MET 67.A O no hydrogen 3.083 N/A GLN 72.A N LYS 68.A O no hydrogen 2.953 N/A ASN 73.A N ALA 69.A O no hydrogen 2.933 N/A ASN 77.A N ASN 73.A O no hydrogen 2.877 N/A LEU 78.A N ALA 74.A O no hydrogen 2.980 N/A ARG 79.A N PRO 75.A O no hydrogen 2.910 N/A ASN 80.A N ASN 77.A O no hydrogen 2.956 N/A LEU 81.A N ASN 77.A O no hydrogen 3.257 N/A ARG 82.A N LEU 78.A O no hydrogen 2.917 N/A GLY 83.A N ASN 80.A O no hydrogen 3.063 N/A TYR 84.A N ASN 80.A O no hydrogen 3.106 N/A TYR 85.A N LEU 81.A O no hydrogen 3.158 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.693 N/A ASN 86.A N GLY 83.A O no hydrogen 3.378 N/A GLN 87.A N ARG 82.A O no hydrogen 2.805 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 3.213 N/A HIS 93.A N SER 13.A OG no hydrogen 2.678 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.640 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.866 N/A ILE 95.A N SER 11.A O no hydrogen 2.669 N/A GLN 96.A N ALA 117.A O no hydrogen 2.916 N/A ARG 97.A N TYR 9.A O no hydrogen 2.760 N/A MET 98.A N GLN 115.A O no hydrogen 2.940 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.774 N/A CYS 101.A N MET 5.A O no hydrogen 3.112 N/A ASP 102.A N ARG 111.A O no hydrogen 2.941 N/A LEU 103.A N HIS 3.A O no hydrogen 3.125 N/A GLY 104.A N ARG 108.A O no hydrogen 2.730 N/A LEU 110.A N ASP 102.A O no hydrogen 2.734 N/A TYR 113.A N GLY 100.A O no hydrogen 2.989 N/A GLN 115.A N MET 98.A O no hydrogen 3.069 N/A SER 116.A N ILE 124.A O no hydrogen 2.633 N/A ALA 117.A N GLN 96.A O no hydrogen 2.821 N/A TYR 118.A N LYS 121.A O no hydrogen 2.836 N/A ASP 119.A N THR 94.A O no hydrogen 2.964 N/A LYS 121.A N TYR 118.A O no hydrogen 3.492 N/A TYR 123.A N SER 116.A O no hydrogen 2.903 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.863 N/A ILE 124.A N SER 116.A O no hydrogen 3.278 N/A ALA 125.A N THR 134.A O no hydrogen 3.101 N/A LEU 126.A N HIS 114.A O no hydrogen 3.079 N/A ASN 127.A N SER 132.A O no hydrogen 3.123 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 3.290 N/A LEU 130.A N ASN 127.A O no hydrogen 2.979 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.111 N/A SER 132.A N ASP 129.A OD1 no hydrogen 3.368 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.931 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.311 N/A THR 134.A N ALA 125.A O no hydrogen 2.930 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.639 N/A MET 138.A N ASP 137.A OD2 no hydrogen 2.437 N/A GLN 141.A N MET 138.A O no hydrogen 2.886 N/A ASN 142.A N ALA 139.A O no hydrogen 3.143 N/A ASN 142.A ND2 ALA 139.A O no hydrogen 3.679 N/A THR 143.A N ALA 140.A O no hydrogen 3.066 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.863 N/A GLN 144.A N ALA 140.A O no hydrogen 2.964 N/A GLN 144.A NE2 GLU 148.A OE2 no hydrogen 3.006 N/A ARG 145.A NH1 ASN 142.A OD1 no hydrogen 3.279 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.318 N/A TRP 147.A N THR 143.A O no hydrogen 2.812 N/A GLU 148.A N GLN 144.A O no hydrogen 2.728 N/A ALA 149.A N ARG 145.A O no hydrogen 3.040 N/A ALA 150.A N LYS 146.A O no hydrogen 2.787 N/A GLY 151.A N GLU 148.A O no hydrogen 2.972 N/A GLU 152.A N TRP 147.A O no hydrogen 2.757 N/A GLN 155.A N GLY 151.A O no hydrogen 3.374 N/A HIS 156.A N GLU 152.A O no hydrogen 3.026 N/A ARG 157.A N ALA 153.A O no hydrogen 3.131 N/A ARG 157.A NE GLU 161.A OE1 no hydrogen 2.838 N/A THR 158.A N GLU 154.A O no hydrogen 3.124 N/A LEU 160.A N HIS 156.A O no hydrogen 2.638 N/A GLU 161.A N ARG 157.A O no hydrogen 3.030 N/A GLY 162.A N TYR 159.A O no hydrogen 3.277 N/A GLU 163.A N TYR 159.A O no hydrogen 3.092 N/A CYS 164.A N TYR 159.A O no hydrogen 2.924 N/A GLU 166.A N GLY 162.A O no hydrogen 3.023 N/A TRP 167.A N GLU 163.A O no hydrogen 2.933 N/A LEU 168.A N CYS 164.A O no hydrogen 2.943 N/A ARG 169.A N LEU 165.A O no hydrogen 3.102 N/A ARG 170.A N GLU 166.A O no hydrogen 2.988 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.916 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.521 N/A TYR 171.A N TRP 167.A O no hydrogen 2.843 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.801 N/A LEU 172.A N LEU 168.A O no hydrogen 3.018 N/A GLU 173.A N ARG 169.A O no hydrogen 3.298 N/A ASN 174.A N ARG 170.A O no hydrogen 2.932 N/A GLY 175.A N TYR 171.A O no hydrogen 2.667 N/A LYS 176.A N GLU 173.A O no hydrogen 3.296 N/A LYS 176.A NZ GLU 173.A OE1 no hydrogen 3.065 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 3.253 N/A THR 178.A N GLY 175.A O no hydrogen 3.078 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.515 N/A LEU 179.A N GLY 175.A O no hydrogen 2.667 N/A GLN 180.A N LYS 176.A O no hydrogen 2.906 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 3.071 N/A ARG 181.A N THR 178.A O no hydrogen 3.363 N/A ARG 181.A NE ASP 183.A OD1 no hydrogen 2.700 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.411 N/A LYS 186.A N LEU 206.A O no hydrogen 2.791 N/A HIS 188.A N TRP 204.A O no hydrogen 3.205 N/A THR 190.A N ARG 202.A O no hydrogen 2.924 N/A HIS 191.A NE2 GLU 254.A OE1 no hydrogen 2.635 N/A HIS 192.A N THR 200.A O no hydrogen 2.979 N/A VAL 194.A N GLU 198.A O no hydrogen 3.120 N/A SER 195.A N GLU 198.A O no hydrogen 3.385 N/A GLU 198.A N SER 195.A OG no hydrogen 3.248 N/A ALA 199.A N VAL 249.A O no hydrogen 2.839 N/A THR 200.A N HIS 192.A O no hydrogen 2.826 N/A LEU 201.A N VAL 247.A O no hydrogen 2.745 N/A ARG 202.A N THR 190.A O no hydrogen 2.986 N/A CYS 203.A N ALA 245.A O no hydrogen 2.698 N/A TRP 204.A N HIS 188.A O no hydrogen 2.819 N/A ALA 205.A N LYS 243.A O no hydrogen 3.127 N/A LEU 206.A N LYS 186.A O no hydrogen 2.771 N/A TYR 209.A N ASP 183.A O no hydrogen 2.887 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.866 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.702 N/A THR 214.A N GLN 262.A O no hydrogen 3.019 N/A THR 216.A N HIS 260.A O no hydrogen 3.105 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.204 N/A GLN 218.A N THR 258.A O no hydrogen 3.060 N/A GLU 222.A N ARG 219.A O no hydrogen 3.047 N/A THR 225.A OG1 ASP 223.A OD1 no hydrogen 2.685 N/A THR 225.A OG1 ASP 223.A OD2 no hydrogen 3.119 N/A ASP 227.A N GLN 224.A O no hydrogen 2.827 N/A THR 228.A OG1 GLN 224.A O no hydrogen 2.895 N/A GLU 229.A N ALA 246.A O no hydrogen 3.111 N/A VAL 231.A N TRP 244.A O no hydrogen 3.351 N/A ARG 234.A N GLN 242.A O no hydrogen 2.779 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.773 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.046 N/A ALA 236.A N THR 240.A O no hydrogen 3.118 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.987 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.623 N/A PHE 241.A N PHE 208.A O no hydrogen 2.954 N/A GLN 242.A N ARG 234.A O no hydrogen 2.692 N/A LYS 243.A N ALA 205.A O no hydrogen 3.229 N/A LYS 243.A NZ VAL 231.A O no hydrogen 3.048 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.403 N/A ALA 245.A N CYS 203.A O no hydrogen 3.057 N/A ALA 246.A N GLU 229.A O no hydrogen 2.918 N/A VAL 247.A N LEU 201.A O no hydrogen 2.944 N/A VAL 249.A N ALA 199.A O no hydrogen 2.779 N/A SER 251.A N GLN 197.A O no hydrogen 2.634 N/A SER 251.A OG ASP 196.A O no hydrogen 3.028 N/A LYS 253.A N PRO 250.A O no hydrogen 3.167 N/A LYS 253.A N GLU 254.A OE2 no hydrogen 3.274 N/A ARG 256.A N LYS 253.A O no hydrogen 2.993 N/A TYR 257.A N GLU 254.A O no hydrogen 2.889 N/A THR 258.A N GLN 218.A O no hydrogen 3.054 N/A CYS 259.A N LEU 272.A O no hydrogen 3.043 N/A CYS 259.A SG THR 216.A O no hydrogen 3.768 N/A HIS 260.A N THR 216.A O no hydrogen 2.889 N/A VAL 261.A N LEU 270.A O no hydrogen 3.131 N/A GLN 262.A N THR 214.A O no hydrogen 3.045 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.065 N/A LEU 266.A N HIS 263.A O no hydrogen 3.096 N/A LEU 270.A N VAL 261.A O no hydrogen 2.876 N/A THR 271.A OG1 LEU 270.A O no hydrogen 3.150 N/A LEU 272.A N CYS 259.A O no hydrogen 3.232 N/A