Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3raj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N SER 123.A OG no hydrogen 3.421 N/A SER 2.A N ASP 130.A OD2 no hydrogen 3.150 N/A SER 2.A OG ASP 130.A OD1 no hydrogen 3.130 N/A SER 2.A OG ASP 130.A OD2 no hydrogen 2.878 N/A GLY 3.A N CYS 124.A O no hydrogen 2.792 N/A THR 6.A N ASN 120.A O no hydrogen 3.178 N/A THR 6.A OG1 CYS 111.A O no hydrogen 3.063 N/A THR 6.A OG1 ASN 120.A O no hydrogen 2.726 N/A THR 7.A N THR 109.A O no hydrogen 3.122 N/A THR 7.A OG1 THR 109.A O no hydrogen 3.477 N/A ARG 9.A NE GLU 12.A OE1 no hydrogen 2.659 N/A ARG 9.A NE GLU 12.A OE2 no hydrogen 3.177 N/A ARG 9.A NH1 GLU 12.A OE2 no hydrogen 3.075 N/A GLU 12.A N ARG 9.A O no hydrogen 3.121 N/A THR 13.A N ARG 9.A O no hydrogen 2.877 N/A THR 13.A OG1 ARG 9.A O no hydrogen 2.866 N/A THR 13.A OG1 PHE 10.A O no hydrogen 2.664 N/A VAL 14.A N PHE 10.A O no hydrogen 2.867 N/A ALA 16.A N GLU 12.A O no hydrogen 3.230 N/A ARG 17.A N THR 13.A O no hydrogen 2.920 N/A ARG 17.A NH1 TYR 103.A O no hydrogen 2.803 N/A ARG 17.A NH1 ASP 106.A O no hydrogen 2.789 N/A CYS 18.A N VAL 14.A O no hydrogen 3.419 N/A VAL 19.A N LEU 15.A O no hydrogen 2.783 N/A LYS 20.A N ALA 16.A O no hydrogen 3.042 N/A TYR 21.A N ARG 17.A O no hydrogen 2.899 N/A TYR 21.A OH ASP 98.A O no hydrogen 3.024 N/A THR 22.A N VAL 19.A O no hydrogen 2.923 N/A THR 22.A OG1 CYS 18.A O no hydrogen 2.414 N/A THR 22.A OG1 VAL 19.A O no hydrogen 3.065 N/A GLU 23.A N VAL 19.A O no hydrogen 3.278 N/A ILE 24.A N LYS 20.A O no hydrogen 3.294 N/A HIS 25.A N TYR 21.A O no hydrogen 3.205 N/A MET 28.A N HIS 25.A O no hydrogen 2.937 N/A HIS 30.A N MET 28.A O no hydrogen 2.256 N/A GLN 34.A NE2 ASP 38.A OD1 no hydrogen 3.358 N/A SER 35.A OG ASP 32.A OD2 no hydrogen 2.746 N/A VAL 36.A N ASP 32.A O no hydrogen 2.933 N/A TRP 37.A N CYS 33.A O no hydrogen 3.052 N/A ASP 38.A N GLN 34.A O no hydrogen 2.575 N/A ALA 39.A N SER 35.A O no hydrogen 3.009 N/A PHE 40.A N VAL 36.A O no hydrogen 2.943 N/A LYS 41.A N TRP 37.A O no hydrogen 2.988 N/A GLY 42.A N ASP 38.A O no hydrogen 3.121 N/A ALA 43.A N PHE 40.A O no hydrogen 2.873 N/A PHE 44.A N LYS 41.A O no hydrogen 3.425 N/A ILE 45.A N LYS 41.A O no hydrogen 3.212 N/A SER 46.A N GLU 113.A O no hydrogen 3.201 N/A SER 46.A OG SER 117.A OG no hydrogen 2.932 N/A LYS 47.A NZ ASP 51.A O no hydrogen 3.242 N/A LYS 47.A NZ ASP 56.A OD1 no hydrogen 3.227 N/A LYS 47.A NZ ASP 56.A OD2 no hydrogen 2.821 N/A CYS 50.A N HIS 48.A ND1 no hydrogen 3.118 N/A ASP 51.A N HIS 48.A O no hydrogen 2.768 N/A THR 53.A N ASP 56.A OD2 no hydrogen 2.929 N/A THR 53.A OG1 ASP 56.A OD1 no hydrogen 3.197 N/A THR 53.A OG1 ASP 56.A OD2 no hydrogen 3.373 N/A ASP 56.A N THR 53.A O no hydrogen 3.141 N/A TYR 57.A OH PRO 135.A O no hydrogen 2.986 N/A GLN 58.A N GLU 55.A O no hydrogen 2.506 N/A MET 61.A N TYR 57.A O no hydrogen 2.819 N/A LYS 62.A N GLN 58.A O no hydrogen 3.175 N/A LYS 62.A NZ PRO 59.A O no hydrogen 3.466 N/A GLY 64.A N LEU 60.A O no hydrogen 2.931 N/A GLY 64.A N MET 61.A O no hydrogen 2.659 N/A THR 65.A N MET 61.A O no hydrogen 2.862 N/A THR 65.A OG1 MET 61.A O no hydrogen 3.505 N/A THR 65.A OG1 LYS 62.A O no hydrogen 2.944 N/A GLN 66.A NE2 TYR 21.A OH no hydrogen 2.586 N/A LYS 72.A N PRO 69.A O no hydrogen 2.772 N/A LYS 72.A NZ ASP 92.A O no hydrogen 3.023 N/A LEU 74.A N PHE 94.A O no hydrogen 3.435 N/A LEU 75.A N HIS 156.A O no hydrogen 2.987 N/A TRP 76.A N GLU 177.A OE2 no hydrogen 2.995 N/A SER 77.A OG LEU 75.A O no hydrogen 3.385 N/A SER 77.A OG MET 158.A O no hydrogen 2.863 N/A LYS 80.A N ARG 78.A O no hydrogen 3.033 N/A LYS 80.A NZ ASP 81.A OD1 no hydrogen 3.271 N/A LYS 80.A NZ ASP 107.A OD1 no hydrogen 3.296 N/A LYS 80.A NZ ASP 107.A OD2 no hydrogen 3.325 N/A HIS 84.A N LYS 80.A O no hydrogen 3.385 N/A PHE 86.A N ALA 83.A O no hydrogen 3.179 N/A VAL 89.A N PHE 86.A O no hydrogen 2.663 N/A GLN 90.A N PHE 86.A O no hydrogen 3.324 N/A ARG 91.A N THR 87.A O no hydrogen 3.367 N/A ASP 92.A N GLN 88.A O no hydrogen 3.031 N/A MET 93.A N VAL 89.A O no hydrogen 2.901 N/A PHE 94.A N LYS 72.A O no hydrogen 2.930 N/A THR 95.A OG1 ASP 98.A OD2 no hydrogen 3.119 N/A ASP 98.A N THR 95.A O no hydrogen 2.954 N/A THR 99.A OG1 LEU 96.A O no hydrogen 2.754 N/A LEU 100.A N GLN 66.A OE1 no hydrogen 2.918 N/A GLY 102.A N THR 99.A OG1 no hydrogen 3.148 N/A TYR 103.A N THR 99.A O no hydrogen 2.985 N/A LEU 104.A N LEU 100.A O no hydrogen 2.983 N/A ALA 105.A N LEU 101.A O no hydrogen 3.261 N/A LEU 108.A N ALA 105.A O no hydrogen 3.178 N/A CYS 111.A N THR 6.A OG1 no hydrogen 3.052 N/A CYS 111.A SG SER 123.A O no hydrogen 3.570 N/A THR 116.A OG1 GLU 113.A OE2 no hydrogen 3.017 N/A SER 117.A OG SER 46.A OG no hydrogen 2.932 N/A LYS 118.A N THR 116.A OG1 no hydrogen 3.227 N/A ASN 120.A N CYS 111.A O no hydrogen 2.981 N/A GLN 122.A N ASN 120.A OD1 no hydrogen 2.851 N/A SER 123.A N ASN 120.A OD1 no hydrogen 3.155 N/A CYS 124.A N GLY 3.A O no hydrogen 2.863 N/A CYS 124.A SG SER 123.A O no hydrogen 3.098 N/A ASP 126.A N ASP 130.A OD2 no hydrogen 3.166 N/A ARG 128.A N ASP 126.A OD2 no hydrogen 3.173 N/A LYS 129.A N ASP 126.A OD2 no hydrogen 3.335 N/A ASP 130.A N ASP 126.A O no hydrogen 2.898 N/A SER 137.A N ASN 134.A OD1 no hydrogen 2.696 N/A SER 137.A OG SER 132.A O no hydrogen 3.391 N/A VAL 138.A N ASN 134.A O no hydrogen 3.115 N/A PHE 139.A N PRO 135.A O no hydrogen 2.736 N/A TRP 140.A N VAL 136.A O no hydrogen 3.094 N/A LYS 141.A N SER 137.A O no hydrogen 3.200 N/A THR 142.A N VAL 138.A O no hydrogen 2.977 N/A THR 142.A OG1 GLU 54.A O no hydrogen 3.526 N/A THR 142.A OG1 VAL 138.A O no hydrogen 3.422 N/A VAL 143.A N PHE 139.A O no hydrogen 3.013 N/A SER 144.A N TRP 140.A O no hydrogen 3.111 N/A SER 144.A OG TRP 140.A O no hydrogen 2.393 N/A SER 144.A OG LYS 141.A O no hydrogen 3.439 N/A ARG 145.A N LYS 141.A O no hydrogen 2.976 N/A PHE 147.A N VAL 143.A O no hydrogen 3.232 N/A ALA 148.A N SER 144.A O no hydrogen 2.849 N/A GLU 149.A N ARG 145.A O no hydrogen 3.351 N/A ALA 150.A N PHE 147.A O no hydrogen 3.168 N/A ALA 151.A N ALA 148.A O no hydrogen 3.455 N/A CYS 152.A N CYS 70.A O no hydrogen 2.739 N/A CYS 152.A SG ASP 153.A OD1 no hydrogen 3.758 N/A ASP 153.A N LYS 185.A O no hydrogen 3.075 N/A VAL 155.A N THR 188.A O no hydrogen 3.189 N/A HIS 156.A N ILE 73.A O no hydrogen 3.130 N/A VAL 157.A N GLU 190.A O no hydrogen 3.071 N/A LEU 159.A N TRP 192.A O no hydrogen 3.074 N/A GLY 161.A N ILE 194.A O no hydrogen 2.970 N/A SER 162.A OG ASP 160.A OD1 no hydrogen 3.094 N/A ARG 163.A NE LYS 165.A O no hydrogen 3.539 N/A ARG 163.A NH2 ILE 166.A O no hydrogen 3.054 N/A ASP 170.A N ASP 168.A OD1 no hydrogen 2.870 N/A SER 171.A N ASP 168.A O no hydrogen 3.356 N/A SER 171.A OG ASP 168.A O no hydrogen 2.290 N/A GLY 174.A N SER 171.A OG no hydrogen 3.189 N/A SER 175.A N SER 171.A O no hydrogen 2.842 N/A SER 175.A OG ASP 170.A O no hydrogen 3.140 N/A SER 175.A OG SER 171.A O no hydrogen 2.853 N/A VAL 176.A N THR 172.A O no hydrogen 2.942 N/A GLU 177.A N THR 172.A O no hydrogen 3.345 N/A VAL 178.A N PHE 173.A O no hydrogen 3.110 N/A ASN 180.A N GLU 177.A O no hydrogen 2.950 N/A ASN 180.A ND2 VAL 176.A O no hydrogen 2.395 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 3.092 N/A LYS 185.A N GLN 182.A O no hydrogen 2.998 N/A LYS 185.A NZ GLU 149.A O no hydrogen 3.302 N/A VAL 186.A N GLN 182.A O no hydrogen 2.627 N/A GLN 187.A N ASP 153.A O no hydrogen 2.765 N/A THR 188.A N ASP 153.A O no hydrogen 3.348 N/A LEU 189.A N GLN 223.A O no hydrogen 2.742 N/A GLU 190.A N VAL 155.A O no hydrogen 3.062 N/A ALA 191.A N SER 225.A O no hydrogen 2.802 N/A TRP 192.A N VAL 157.A O no hydrogen 2.906 N/A TRP 192.A NE1 GLU 190.A OE1 no hydrogen 2.845 N/A VAL 193.A N LYS 227.A O no hydrogen 2.769 N/A ILE 194.A N LEU 159.A O no hydrogen 3.105 N/A HIS 195.A N ILE 229.A O no hydrogen 2.951 N/A HIS 195.A ND1 ASP 200.A O no hydrogen 2.660 N/A HIS 195.A NE2 ASN 228.A OD1 no hydrogen 2.700 N/A SER 201.A N GLU 199.A O no hydrogen 2.785 N/A SER 201.A OG GLU 199.A O no hydrogen 3.216 N/A ARG 202.A NH1 ASP 200.A OD1 no hydrogen 2.646 N/A LEU 204.A N ASN 228.A OD1 no hydrogen 3.048 N/A CYS 205.A N ASP 203.A OD1 no hydrogen 3.267 N/A GLN 206.A NE2 ASP 203.A OD2 no hydrogen 2.625 N/A THR 209.A OG1 ASP 207.A OD1 no hydrogen 3.173 N/A THR 209.A OG1 ASP 207.A OD2 no hydrogen 2.448 N/A ILE 210.A N ASP 207.A OD2 no hydrogen 3.197 N/A LYS 211.A N ASP 207.A O no hydrogen 3.213 N/A GLU 212.A N PRO 208.A O no hydrogen 2.748 N/A GLU 212.A N THR 209.A O no hydrogen 2.767 N/A LEU 213.A N THR 209.A O no hydrogen 3.136 N/A LEU 213.A N ILE 210.A O no hydrogen 2.873 N/A GLU 214.A N ILE 210.A O no hydrogen 2.890 N/A SER 215.A N LYS 211.A O no hydrogen 2.954 N/A ILE 216.A N GLU 212.A O no hydrogen 3.002 N/A ILE 217.A N LEU 213.A O no hydrogen 2.885 N/A SER 218.A N GLU 214.A O no hydrogen 3.235 N/A SER 218.A OG GLU 214.A O no hydrogen 2.813 N/A LYS 219.A N SER 215.A O no hydrogen 3.259 N/A ARG 220.A N ILE 217.A O no hydrogen 3.039 N/A ARG 220.A NE LEU 181.A O no hydrogen 3.301 N/A ARG 220.A NH2 LEU 181.A O no hydrogen 2.809 N/A ASN 221.A N SER 218.A O no hydrogen 3.170 N/A ILE 222.A N ILE 217.A O no hydrogen 3.243 N/A GLN 223.A N GLN 187.A O no hydrogen 3.198 N/A GLN 223.A NE2 GLN 187.A O no hydrogen 3.122 N/A SER 225.A N LEU 189.A O no hydrogen 2.934 N/A SER 225.A OG GLU 190.A OE2 no hydrogen 3.130 N/A ASN 228.A ND2 ASP 203.A OD1 no hydrogen 3.266 N/A ILE 229.A N VAL 193.A O no hydrogen 2.858 N/A TYR 230.A OH HIS 195.A ND1 no hydrogen 2.842 N/A