Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iut_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 169.A O no hydrogen 2.918 N/A TRP 7.A N VAL 167.A O no hydrogen 3.006 N/A TRP 7.A NE1 LEU 129.A O no hydrogen 2.929 N/A ARG 8.A N ASP 6.A OD2 no hydrogen 3.018 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.314 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.002 N/A ARG 8.A NH2 ASP 6.A OD1 no hydrogen 2.819 N/A ALA 9.A N ASP 6.A O no hydrogen 2.894 N/A ARG 10.A N TRP 7.A O no hydrogen 3.153 N/A GLY 11.A N ARG 8.A O no hydrogen 3.022 N/A ALA 12.A N TRP 7.A O no hydrogen 3.391 N/A THR 14.A OG1 ALA 15.A O no hydrogen 3.511 N/A THR 14.A OG1 GLU 35.A OE1 no hydrogen 2.731 N/A LYS 17.A NZ GLU 35.A OE2 no hydrogen 2.791 N/A LYS 17.A NZ GLU 50.A OE1 no hydrogen 2.909 N/A LYS 17.A NZ GLU 50.A OE2 no hydrogen 3.416 N/A LYS 17.A NZ GLU 86.A OE1 no hydrogen 2.926 N/A GLN 19.A N SER 183.A O no hydrogen 2.960 N/A GLN 19.A NE2 CYS 22.A O no hydrogen 3.008 N/A GLY 20.A N ASP 18.A OD2 no hydrogen 2.897 N/A GLN 21.A N GLY 94.A O no hydrogen 2.855 N/A GLY 23.A N CYS 63.A O no hydrogen 2.912 N/A SER 24.A OG CYS 22.A O no hydrogen 3.461 N/A SER 24.A OG TYR 91.A OH no hydrogen 2.780 N/A TRP 26.A NE1 GLY 62.A O no hydrogen 3.101 N/A ALA 27.A N SER 24.A O no hydrogen 2.860 N/A PHE 28.A N SER 24.A O no hydrogen 3.239 N/A SER 29.A N CYS 25.A O no hydrogen 2.865 N/A SER 29.A OG VAL 164.A O no hydrogen 2.814 N/A ALA 30.A N TRP 26.A O no hydrogen 3.099 N/A ILE 31.A N ALA 27.A O no hydrogen 2.846 N/A GLY 32.A N PHE 28.A O no hydrogen 2.872 N/A ASN 33.A N SER 29.A O no hydrogen 3.162 N/A ASN 33.A ND2 PRO 134.A O no hydrogen 2.842 N/A ASN 33.A ND2 SER 211.A OG no hydrogen 2.895 N/A VAL 34.A N ALA 30.A O no hydrogen 2.958 N/A GLU 35.A N ILE 31.A O no hydrogen 2.813 N/A CYS 36.A N GLY 32.A O no hydrogen 3.158 N/A CYS 36.A SG ALA 12.A O no hydrogen 3.254 N/A CYS 36.A SG GLY 32.A O no hydrogen 3.278 N/A GLN 37.A N ASN 33.A O no hydrogen 2.929 N/A GLN 37.A NE2 ASN 132.A O no hydrogen 2.914 N/A GLN 37.A NE2 PRO 134.A O no hydrogen 3.192 N/A TRP 38.A N VAL 34.A O no hydrogen 2.802 N/A PHE 39.A N GLU 35.A O no hydrogen 3.184 N/A LEU 40.A N CYS 36.A O no hydrogen 3.002 N/A ALA 41.A N.A GLN 37.A O no hydrogen 3.087 N/A ALA 41.A N.A TRP 38.A O no hydrogen 3.362 N/A ALA 41.A N.B GLN 37.A O no hydrogen 3.069 N/A ALA 41.A N.B TRP 38.A O no hydrogen 3.130 N/A GLY 42.A N.A PHE 39.A O no hydrogen 3.220 N/A GLY 42.A N.B PHE 39.A O no hydrogen 2.668 N/A HIS 43.A N.A PHE 39.A O no hydrogen 3.347 N/A THR 46.A OG1 PRO 44.A O.A no hydrogen 3.173 N/A THR 46.A OG1 PRO 44.A O.B no hydrogen 2.353 N/A LEU 48.A N GLU 35.A OE2 no hydrogen 2.837 N/A ALA 49.A N TYR 84.A O no hydrogen 2.908 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.888 N/A GLN 51.A NE2 GLN 51.A O no hydrogen 3.602 N/A GLN 51.A NE2 SER 55.A OG no hydrogen 2.790 N/A GLN 51.A NE2 SER 93.A OG no hydrogen 2.915 N/A MET 52.A N ALA 49.A O no hydrogen 3.099 N/A VAL 54.A N GLU 50.A O no hydrogen 2.945 N/A SER 55.A N GLN 51.A O no hydrogen 2.911 N/A SER 55.A OG PRO 99.A O no hydrogen 2.909 N/A CYS 56.A N MET 52.A O no hydrogen 2.884 N/A CYS 56.A SG TYR 89.A OH no hydrogen 3.505 N/A ASP 57.A N LEU 53.A O no hydrogen 3.067 N/A LYS 58.A NZ SER 55.A O no hydrogen 2.737 N/A THR 59.A N ASP 57.A OD1 no hydrogen 2.935 N/A THR 59.A OG1 ASP 57.A OD1 no hydrogen 2.673 N/A ASP 60.A N ASP 57.A O no hydrogen 3.173 N/A SER 61.A N GLY 65.A O no hydrogen 2.848 N/A SER 64.A N SER 61.A O no hydrogen 2.849 N/A GLY 65.A N GLY 62.A O no hydrogen 3.435 N/A LEU 67.A N ASP 60.A OD1 no hydrogen 2.864 N/A ASN 70.A ND2 THR 59.A O no hydrogen 3.015 N/A ALA 71.A N LEU 67.A O no hydrogen 3.012 N/A PHE 72.A N MET 68.A O no hydrogen 2.988 N/A GLU 73.A N ASN 69.A O no hydrogen 3.115 N/A TRP 74.A N ASN 70.A O no hydrogen 2.819 N/A ILE 75.A N ALA 71.A O no hydrogen 3.033 N/A VAL 76.A N PHE 72.A O no hydrogen 3.325 N/A GLN 77.A N GLU 73.A O no hydrogen 2.793 N/A GLU 78.A N TRP 74.A O no hydrogen 2.799 N/A ASN 79.A N TRP 74.A O no hydrogen 3.144 N/A ASN 79.A N ILE 75.A O no hydrogen 3.188 N/A ASN 79.A ND2 ALA 82.A O no hydrogen 2.907 N/A ASN 80.A ND2.B ASN 80.A O no hydrogen 3.057 N/A GLY 81.A N ILE 75.A O no hydrogen 2.816 N/A ALA 82.A N ASN 79.A O no hydrogen 2.945 N/A VAL 83.A N ALA 110.A O no hydrogen 2.907 N/A THR 85.A N THR 107.A O no hydrogen 2.858 N/A THR 85.A OG1 SER 88.A OG.A no hydrogen 2.639 N/A THR 85.A OG1 SER 88.A OG.B no hydrogen 3.030 N/A GLU 86.A N ASN 47.A O no hydrogen 2.901 N/A SER 88.A N.A THR 85.A OG1 no hydrogen 2.534 N/A SER 88.A OG.A THR 85.A O no hydrogen 3.348 N/A SER 88.A OG.A THR 85.A OG1 no hydrogen 2.639 N/A SER 88.A OG.A THR 107.A O no hydrogen 3.000 N/A SER 88.A OG.B THR 85.A O no hydrogen 3.077 N/A SER 88.A OG.B THR 85.A OG1 no hydrogen 3.030 N/A TYR 89.A N THR 85.A O no hydrogen 3.019 N/A TYR 91.A OH GLN 19.A O no hydrogen 2.661 N/A TYR 91.A OH SER 24.A OG no hydrogen 2.780 N/A ALA 92.A N GLN 51.A OE1 no hydrogen 2.725 N/A SER 93.A OG GLN 51.A OE1 no hydrogen 2.768 N/A GLY 96.A N SER 93.A O no hydrogen 2.817 N/A SER 98.A OG VAL 54.A O no hydrogen 3.553 N/A SER 98.A OG PRO 99.A O no hydrogen 3.301 N/A THR 102.A N TYR 89.A OH no hydrogen 3.172 N/A THR 102.A OG1 TYR 89.A OH no hydrogen 3.359 N/A THR 102.A OG1 HIS 106.A NE2 no hydrogen 2.868 N/A HIS 106.A ND1 SER 88.A O.A no hydrogen 2.779 N/A HIS 106.A ND1 SER 88.A O.B no hydrogen 2.832 N/A HIS 106.A NE2 THR 102.A O no hydrogen 2.781 N/A HIS 106.A NE2 THR 102.A OG1 no hydrogen 2.868 N/A THR 107.A N SER 88.A OG.A no hydrogen 2.417 N/A THR 107.A N SER 88.A OG.B no hydrogen 3.122 N/A GLY 109.A N VAL 83.A O no hydrogen 2.820 N/A ALA 110.A N VAL 83.A O no hydrogen 3.236 N/A ILE 112.A N GLY 81.A O no hydrogen 2.919 N/A THR 113.A N VAL 213.A O no hydrogen 2.950 N/A THR 113.A OG1 VAL 213.A O no hydrogen 3.357 N/A HIS 115.A NE2 GLU 117.A OE1 no hydrogen 2.762 N/A VAL 116.A N SER 211.A O no hydrogen 2.813 N/A LEU 118.A N ALA 209.A O no hydrogen 2.851 N/A GLN 120.A NE2 GLU 207.A O no hydrogen 2.933 N/A GLN 124.A N ASP 121.A OD1 no hydrogen 3.127 N/A ILE 125.A N ASP 121.A O no hydrogen 2.953 N/A ALA 126.A N GLU 122.A O no hydrogen 2.929 N/A ALA 127.A N ALA 123.A O no hydrogen 3.002 N/A TRP 128.A N GLN 124.A O no hydrogen 3.117 N/A LEU 129.A N ILE 125.A O no hydrogen 2.927 N/A ALA 130.A N ALA 126.A O no hydrogen 2.877 N/A VAL 131.A N TRP 128.A O no hydrogen 3.244 N/A ASN 132.A N TRP 128.A O no hydrogen 2.800 N/A ASN 132.A ND2 TRP 128.A O no hydrogen 3.252 N/A GLY 133.A N LEU 129.A O no hydrogen 2.974 N/A VAL 135.A N LEU 166.A O no hydrogen 3.085 N/A ALA 136.A N SER 210.A O no hydrogen 2.903 N/A VAL 137.A N VAL 164.A O no hydrogen 3.032 N/A ALA 138.A N GLU 208.A O no hydrogen 3.293 N/A VAL 139.A N HIS 162.A O no hydrogen 2.826 N/A ASP 140.A N CYS 203.A O no hydrogen 2.845 N/A ALA 141.A N ASP 161.A OD2 no hydrogen 2.861 N/A SER 142.A N ASP 140.A OD2 no hydrogen 2.914 N/A SER 142.A OG ASP 140.A OD2 no hydrogen 2.718 N/A TRP 144.A N ALA 141.A O no hydrogen 2.996 N/A TYR 147.A N TRP 144.A O no hydrogen 3.135 N/A TYR 147.A OH GLY 150.A O no hydrogen 2.632 N/A GLY 150.A N GLU 190.A OE2 no hydrogen 2.814 N/A MET 152.A N ARG 195.A O no hydrogen 2.928 N/A CYS 155.A SG ASP 140.A O no hydrogen 3.591 N/A CYS 155.A SG VAL 156.A O no hydrogen 3.563 N/A VAL 156.A N SER 143.A OG no hydrogen 3.190 N/A SER 157.A OG CYS 155.A O no hydrogen 2.821 N/A GLU 158.A N ASP 140.A OD1 no hydrogen 2.819 N/A GLN 159.A N ASP 140.A OD1 no hydrogen 2.924 N/A ASP 161.A N VAL 139.A O no hydrogen 2.907 N/A HIS 162.A N VAL 139.A O no hydrogen 3.086 N/A HIS 162.A NE2 ASN 182.A OD1 no hydrogen 2.828 N/A VAL 164.A N VAL 137.A O no hydrogen 2.909 N/A LEU 165.A N LYS 181.A O no hydrogen 3.311 N/A LEU 166.A N VAL 135.A O no hydrogen 2.825 N/A VAL 167.A N ILE 179.A O no hydrogen 2.864 N/A TYR 169.A N VAL 5.A O no hydrogen 2.897 N/A TYR 169.A OH PRO 2.A O no hydrogen 2.709 N/A ASN 170.A N TYR 177.A O no hydrogen 2.854 N/A ASN 170.A ND2 TYR 177.A OH no hydrogen 3.145 N/A ASP 171.A N ALA 3.A O no hydrogen 2.772 N/A GLY 172.A N ASN 170.A OD1 no hydrogen 2.961 N/A TYR 177.A N ASN 170.A O no hydrogen 3.114 N/A TRP 178.A N ILE 196.A O no hydrogen 2.860 N/A TRP 178.A NE1 GLU 122.A OE1 no hydrogen 2.814 N/A ILE 179.A N GLY 168.A O no hydrogen 2.930 N/A ILE 180.A N ILE 194.A O no hydrogen 2.913 N/A LYS 181.A N LEU 165.A O no hydrogen 2.862 N/A LYS 181.A NZ THR 14.A O no hydrogen 2.944 N/A LYS 181.A NZ ALA 15.A O no hydrogen 3.215 N/A ASN 182.A N GLY 192.A O no hydrogen 3.100 N/A SER 183.A N ASN 182.A OD1 no hydrogen 2.840 N/A SER 183.A OG GLN 19.A OE1 no hydrogen 2.724 N/A THR 185.A N LYS 17.A O no hydrogen 3.064 N/A THR 185.A OG1 TRP 184.A O no hydrogen 2.614 N/A GLN 187.A N THR 185.A OG1 no hydrogen 2.976 N/A TRP 188.A NE1 TRP 144.A O no hydrogen 3.103 N/A GLU 190.A N TYR 193.A O no hydrogen 2.840 N/A GLY 192.A N TRP 188.A O no hydrogen 2.783 N/A TYR 193.A N GLU 190.A O no hydrogen 3.070 N/A ILE 194.A N ILE 180.A O no hydrogen 2.937 N/A ARG 195.A N TYR 147.A OH no hydrogen 3.276 N/A ARG 195.A NE GLU 190.A OE1 no hydrogen 2.853 N/A ARG 195.A NH2 GLU 190.A OE2 no hydrogen 2.887 N/A ILE 196.A N TRP 178.A O no hydrogen 3.275 N/A ALA 197.A N MET 152.A O no hydrogen 2.893 N/A LYS 198.A N PRO 176.A O no hydrogen 2.868 N/A LYS 198.A NZ ASP 171.A OD1 no hydrogen 3.368 N/A LYS 198.A NZ ASP 171.A OD2 no hydrogen 2.715 N/A GLY 199.A N GLU 122.A OE1 no hydrogen 3.010 N/A ASN 201.A N GLU 122.A OE2 no hydrogen 2.784 N/A ASN 201.A ND2 GLU 207.A OE2 no hydrogen 2.940 N/A GLN 202.A NE2.A SER 200.A O no hydrogen 3.479 N/A GLN 202.A NE2.A SER 200.A OG no hydrogen 2.795 N/A GLN 202.A NE2.B MET 152.A O no hydrogen 3.204 N/A CYS 203.A N SER 157.A OG no hydrogen 2.789 N/A LEU 204.A N ASN 201.A O no hydrogen 3.030 N/A VAL 205.A N GLN 202.A O no hydrogen 3.146 N/A LYS 206.A N ASN 201.A OD1 no hydrogen 3.037 N/A LYS 206.A NZ.B GLN 120.A O no hydrogen 2.946 N/A GLU 207.A N LEU 204.A O no hydrogen 3.063 N/A SER 210.A N ALA 136.A O no hydrogen 2.851 N/A SER 210.A OG ASN 69.A OD1 no hydrogen 2.971 N/A SER 211.A N VAL 116.A O no hydrogen 2.978 N/A SER 211.A OG ALA 212.A O no hydrogen 2.823 N/A ALA 212.A N ASN 33.A OD1 no hydrogen 2.812 N/A VAL 213.A N GLY 114.A O no hydrogen 2.887 N/A