Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cmi_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 1.A OE1 no hydrogen 2.997 N/A ALA 4.A N ASP 87.A OD2 no hydrogen 2.745 N/A ALA 5.A N ARG 28.A O no hydrogen 2.894 N/A VAL 6.A N VAL 88.A O no hydrogen 2.878 N/A VAL 7.A N VAL 30.A O no hydrogen 3.112 N/A THR 8.A N VAL 90.A O no hydrogen 3.043 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.329 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.965 N/A ALA 10.A N HIS 32.A O no hydrogen 2.829 N/A ARG 13.A NH1 LEU 191.A O no hydrogen 2.882 N/A ARG 13.A NH2 LEU 191.A O no hydrogen 2.887 N/A ARG 16.A N LYS 12.A O no hydrogen 3.201 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.008 N/A ALA 17.A N ARG 13.A O no hydrogen 3.192 N/A ILE 18.A N ILE 14.A O no hydrogen 3.005 N/A ALA 19.A N GLY 15.A O no hydrogen 2.876 N/A VAL 20.A N ARG 16.A O no hydrogen 2.909 N/A LYS 21.A N ALA 17.A O no hydrogen 2.853 N/A LYS 21.A NZ ASP 222.A OD1 no hydrogen 3.381 N/A LEU 22.A N ILE 18.A O no hydrogen 2.919 N/A HIS 23.A N ALA 19.A O no hydrogen 2.882 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.530 N/A GLN 24.A N VAL 20.A O no hydrogen 2.874 N/A THR 25.A N LYS 21.A O no hydrogen 2.884 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.750 N/A GLY 26.A N HIS 23.A O no hydrogen 2.926 N/A TYR 27.A N LEU 22.A O no hydrogen 2.997 N/A ARG 28.A N PRO 3.A O no hydrogen 2.828 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.278 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.653 N/A VAL 29.A N THR 54.A O no hydrogen 2.774 N/A VAL 30.A N ALA 5.A O no hydrogen 2.859 N/A ILE 31.A N VAL 56.A O no hydrogen 2.796 N/A HIS 32.A N VAL 7.A O no hydrogen 3.065 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.775 N/A TYR 33.A N CYS 58.A O no hydrogen 3.045 N/A ALA 37.A N ASN 35.A O no hydrogen 3.089 N/A ALA 40.A N SER 36.A O no hydrogen 3.016 N/A VAL 41.A N ALA 37.A O no hydrogen 2.928 N/A SER 42.A N.A GLU 38.A O no hydrogen 2.953 N/A SER 42.A N.B GLU 38.A O no hydrogen 2.934 N/A SER 42.A OG.A GLU 38.A O no hydrogen 3.502 N/A SER 42.A OG.A ALA 39.A O no hydrogen 2.864 N/A LEU 43.A N ALA 39.A O no hydrogen 2.944 N/A ALA 44.A N ALA 40.A O no hydrogen 2.928 N/A ASP 45.A N VAL 41.A O no hydrogen 2.851 N/A GLU 46.A N SER 42.A O.A no hydrogen 3.089 N/A GLU 46.A N SER 42.A O.B no hydrogen 2.888 N/A LEU 47.A N LEU 43.A O no hydrogen 2.988 N/A ASN 48.A N ALA 44.A O no hydrogen 2.816 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.878 N/A LYS 49.A N ASP 45.A O no hydrogen 3.061 N/A GLU 50.A N GLU 46.A O no hydrogen 3.275 N/A ARG 51.A N LEU 47.A O no hydrogen 3.018 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 2.622 N/A ARG 51.A NH2 TYR 27.A O no hydrogen 3.008 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.780 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.530 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.683 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.898 N/A VAL 56.A N VAL 29.A O no hydrogen 3.002 N/A CYS 58.A N ILE 31.A O no hydrogen 3.029 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.058 N/A ALA 60.A N TYR 33.A O no hydrogen 3.043 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.038 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.681 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.468 N/A ASN 64.A N ALA 111.A O no hydrogen 2.917 N/A VAL 67.A N SER 65.A OG no hydrogen 3.078 N/A LEU 68.A N SER 65.A O no hydrogen 3.393 N/A SER 71.A N VAL 67.A O no hydrogen 2.961 N/A SER 71.A OG VAL 67.A O no hydrogen 3.255 N/A CYS 72.A N LEU 68.A O no hydrogen 2.943 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.390 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.959 N/A GLU 73.A N PRO 69.A O no hydrogen 2.905 N/A GLU 74.A N ALA 70.A O no hydrogen 2.927 N/A ILE 75.A N SER 71.A O no hydrogen 2.954 N/A ILE 76.A N CYS 72.A O no hydrogen 3.172 N/A ASN 77.A N GLU 73.A O no hydrogen 2.840 N/A SER 78.A N GLU 74.A O no hydrogen 2.898 N/A CYS 79.A N ILE 75.A O no hydrogen 3.394 N/A CYS 79.A N ILE 76.A O no hydrogen 2.906 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.333 N/A PHE 80.A N ILE 76.A O no hydrogen 3.251 N/A ARG 81.A N ASN 77.A O no hydrogen 2.771 N/A ARG 81.A NH1 GLU 74.A OE1 no hydrogen 3.158 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 2.691 N/A ALA 82.A N SER 78.A O no hydrogen 2.850 N/A PHE 83.A N CYS 79.A O no hydrogen 2.834 N/A GLY 84.A N PHE 80.A O no hydrogen 2.847 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 3.427 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 2.790 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 2.888 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.884 N/A ASP 87.A N ALA 4.A O no hydrogen 2.786 N/A VAL 88.A N ALA 4.A O no hydrogen 3.057 N/A LEU 89.A N SER 138.A O no hydrogen 3.116 N/A VAL 90.A N VAL 6.A O no hydrogen 2.769 N/A ASN 91.A N VAL 140.A O no hydrogen 2.857 N/A ASN 91.A ND2 ASN 141.A OD1 no hydrogen 2.787 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.912 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.083 N/A ALA 93.A N THR 8.A OG1 no hydrogen 3.065 N/A SER 94.A OG ALA 95.A O no hydrogen 3.371 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.649 N/A ALA 95.A N THR 116.A OG1 no hydrogen 2.953 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.544 N/A THR 99.A N ALA 153.A O no hydrogen 2.762 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.557 N/A THR 105.A OG1 THR 108.A OG1 no hydrogen 2.956 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.838 N/A THR 108.A N THR 105.A OG1 no hydrogen 3.212 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 2.956 N/A GLN 109.A N THR 105.A O no hydrogen 2.997 N/A VAL 110.A N VAL 106.A O no hydrogen 2.870 N/A ALA 111.A N GLU 107.A O no hydrogen 3.002 N/A GLU 112.A N THR 108.A O no hydrogen 2.812 N/A LEU 113.A N GLN 109.A O no hydrogen 2.828 N/A ILE 114.A N VAL 110.A O no hydrogen 2.936 N/A GLY 115.A N ALA 111.A O no hydrogen 2.930 N/A THR 116.A N GLU 112.A O no hydrogen 2.987 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.734 N/A ASN 117.A N LEU 113.A O no hydrogen 3.266 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 3.121 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 2.881 N/A ALA 118.A N ILE 114.A O no hydrogen 3.088 N/A ILE 119.A N ILE 114.A O no hydrogen 2.936 N/A ALA 120.A N GLY 115.A O no hydrogen 2.890 N/A PHE 122.A N ALA 118.A O no hydrogen 3.083 N/A LEU 123.A N ILE 119.A O no hydrogen 2.813 N/A LEU 124.A N ALA 120.A O no hydrogen 2.783 N/A THR 125.A N PRO 121.A O no hydrogen 3.074 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.669 N/A MET 126.A N PHE 122.A O no hydrogen 2.952 N/A SER 127.A N LEU 123.A O no hydrogen 2.971 N/A SER 127.A OG LEU 123.A O no hydrogen 3.475 N/A PHE 128.A N LEU 124.A O no hydrogen 2.833 N/A ALA 129.A N THR 125.A O no hydrogen 2.883 N/A GLN 130.A N MET 126.A O no hydrogen 2.795 N/A ARG 131.A N SER 127.A O no hydrogen 3.106 N/A ARG 131.A NH1 ASN 77.A OD1 no hydrogen 2.609 N/A GLN 132.A N ALA 129.A O no hydrogen 2.854 N/A LYS 133.A N GLN 130.A O no hydrogen 3.132 N/A SER 138.A N ASP 87.A O no hydrogen 3.124 N/A ILE 139.A N ARG 181.A O no hydrogen 2.828 N/A VAL 140.A N LEU 89.A O no hydrogen 2.871 N/A ASN 141.A N ASN 183.A O no hydrogen 2.859 N/A ASN 141.A ND2 THR 168.A OG1 no hydrogen 2.865 N/A LEU 142.A N ASN 91.A O no hydrogen 2.841 N/A CYS 143.A N VAL 185.A O no hydrogen 2.741 N/A CYS 143.A SG ASN 141.A O no hydrogen 3.511 N/A ALA 145.A N PRO 187.A O no hydrogen 2.866 N/A MET 146.A N ASP 144.A OD1 no hydrogen 2.815 N/A VAL 147.A N ASP 144.A O no hydrogen 3.155 N/A GLN 149.A N MET 146.A O no hydrogen 2.996 N/A GLN 149.A NE2 SER 247.A O no hydrogen 2.819 N/A PHE 154.A N CYS 151.A O no hydrogen 3.332 N/A LEU 156.A N THR 99.A OG1 no hydrogen 3.420 N/A TYR 157.A OH ASP 144.A OD2 no hydrogen 2.645 N/A ASN 158.A N PHE 154.A O no hydrogen 2.810 N/A ASN 158.A ND2 VAL 147.A O no hydrogen 2.868 N/A MET 159.A N SER 155.A O.A no hydrogen 2.714 N/A MET 159.A N SER 155.A O.B no hydrogen 2.711 N/A GLY 160.A N LEU 156.A O no hydrogen 2.922 N/A LYS 161.A N TYR 157.A O no hydrogen 2.871 N/A LYS 161.A NZ ASN 117.A OD1 no hydrogen 3.099 N/A LYS 161.A NZ LEU 142.A O no hydrogen 2.842 N/A HIS 162.A N ASN 158.A O no hydrogen 2.898 N/A HIS 162.A NE2 ASP 148.A OD1 no hydrogen 2.835 N/A ALA 163.A N MET 159.A O no hydrogen 2.939 N/A LEU 164.A N GLY 160.A O no hydrogen 2.977 N/A VAL 165.A N LYS 161.A O no hydrogen 3.115 N/A GLY 166.A N HIS 162.A O no hydrogen 3.165 N/A LEU 167.A N ALA 163.A O no hydrogen 2.960 N/A THR 168.A N LEU 164.A O no hydrogen 2.901 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.775 N/A GLN 169.A N VAL 165.A O no hydrogen 3.093 N/A SER 170.A N GLY 166.A O no hydrogen 2.783 N/A SER 170.A OG GLY 166.A O no hydrogen 3.162 N/A ALA 171.A N LEU 167.A O no hydrogen 2.662 N/A ALA 172.A N THR 168.A O no hydrogen 2.976 N/A LEU 173.A N GLN 169.A O no hydrogen 3.140 N/A GLU 174.A N SER 170.A O no hydrogen 3.030 N/A LEU 175.A N ALA 171.A O no hydrogen 2.765 N/A TYR 178.A N LEU 175.A O no hydrogen 2.962 N/A GLY 179.A N ALA 176.A O no hydrogen 2.846 N/A ILE 180.A N LEU 175.A O no hydrogen 3.213 N/A ARG 181.A N LEU 137.A O no hydrogen 3.012 N/A ARG 181.A NH1 LEU 227.A O no hydrogen 2.882 N/A ARG 181.A NH1 ILE 235.A O no hydrogen 3.046 N/A ARG 181.A NH2 ASN 136.A OD1 no hydrogen 3.113 N/A ARG 181.A NH2 LEU 227.A O no hydrogen 2.789 N/A VAL 182.A N THR 236.A OG1 no hydrogen 2.959 N/A ASN 183.A N ILE 139.A O no hydrogen 2.935 N/A ASN 183.A ND2 ILE 235.A O no hydrogen 2.989 N/A GLY 184.A N SER 238.A O no hydrogen 2.853 N/A VAL 185.A N ASN 141.A O no hydrogen 3.092 N/A ALA 186.A N ILE 240.A O no hydrogen 2.865 N/A GLY 188.A N.B VAL 242.A O no hydrogen 3.264 N/A SER 190.A OG.A GLY 188.A O.B no hydrogen 3.142 N/A SER 190.A OG.B ALA 215.A O no hydrogen 2.745 N/A LEU 191.A N ALA 215.A O no hydrogen 2.966 N/A MET 196.A N PRO 193.A O no hydrogen 3.097 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.869 N/A LYS 201.A N GLY 197.A O no hydrogen 2.876 N/A LYS 201.A NZ VAL 194.A O no hydrogen 3.145 N/A LYS 201.A NZ MET 196.A O no hydrogen 2.744 N/A LYS 201.A NZ GLU 198.A OE2 no hydrogen 2.804 N/A ASP 202.A N GLU 198.A O no hydrogen 2.766 N/A LYS 203.A N GLU 199.A O no hydrogen 3.346 N/A LYS 203.A N GLU 200.A O no hydrogen 3.195 N/A TRP 204.A N GLU 200.A O no hydrogen 3.455 N/A ARG 205.A N LYS 201.A O no hydrogen 2.900 N/A ARG 205.A NE GLU 214.A OE1 no hydrogen 2.635 N/A ARG 205.A NE GLU 214.A OE2 no hydrogen 3.421 N/A ARG 205.A NH1 GLU 198.A OE1 no hydrogen 2.875 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 3.174 N/A ARG 205.A NH2 GLU 214.A OE1 no hydrogen 3.558 N/A ARG 205.A NH2 GLU 214.A OE2 no hydrogen 2.780 N/A ARG 206.A N ASP 202.A O no hydrogen 2.873 N/A LYS 207.A N TRP 204.A O no hydrogen 2.964 N/A VAL 208.A N ARG 205.A O no hydrogen 3.212 N/A LEU 210.A N GLY 244.A O no hydrogen 2.989 N/A GLY 211.A N PRO 209.A O no hydrogen 3.042 N/A ARG 212.A N VAL 208.A O no hydrogen 3.066 N/A ARG 212.A NH1 ARG 206.A O no hydrogen 2.569 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.777 N/A ALA 215.A N VAL 189.A O.A no hydrogen 2.864 N/A ALA 215.A N VAL 189.A O.B no hydrogen 3.092 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.083 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.775 N/A GLN 219.A N SER 216.A OG no hydrogen 2.885 N/A ILE 220.A N SER 216.A O no hydrogen 3.362 N/A ALA 221.A N ALA 217.A O no hydrogen 2.792 N/A ASP 222.A N GLU 218.A O no hydrogen 2.781 N/A ALA 223.A N ILE 220.A O no hydrogen 3.197 N/A VAL 224.A N ILE 220.A O no hydrogen 3.481 N/A ILE 225.A N ALA 221.A O no hydrogen 2.921 N/A PHE 226.A N ASP 222.A O no hydrogen 3.017 N/A LEU 227.A N ALA 223.A O no hydrogen 3.038 N/A VAL 228.A N VAL 224.A O no hydrogen 2.998 N/A SER 229.A N PHE 226.A O no hydrogen 3.003 N/A SER 229.A OG PHE 226.A O no hydrogen 2.693 N/A SER 231.A N SER 229.A OG no hydrogen 3.038 N/A ALA 232.A N SER 229.A O no hydrogen 3.110 N/A ILE 235.A N ALA 232.A O no hydrogen 2.939 N/A GLY 237.A N VAL 182.A O no hydrogen 2.824 N/A SER 238.A N ASN 183.A OD1 no hydrogen 2.907 N/A ILE 240.A N GLY 184.A O no hydrogen 2.820 N/A LYS 241.A NZ SER 247.A OG no hydrogen 2.923 N/A VAL 242.A N ALA 186.A O no hydrogen 2.944 N/A GLY 245.A N ASP 243.A OD1 no hydrogen 2.922 N/A LEU 246.A N ASP 243.A O no hydrogen 2.996 N/A SER 247.A N ASP 243.A OD2 no hydrogen 2.934 N/A SER 247.A OG ASP 243.A OD2 no hydrogen 2.691 N/A LEU 248.A N GLY 245.A O no hydrogen 2.956 N/A VAL 249.A N LEU 246.A O no hydrogen 3.121 N/A HIS 250.A ND1 ALA 251.A OXT no hydrogen 2.817 N/A