Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mcd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 30.A O no hydrogen 2.914 N/A TRP 2.A N GLN 106.A O no hydrogen 3.025 N/A TRP 2.A NE1 GLU 34.A OE2 no hydrogen 3.128 N/A ILE 3.A N LYS 32.A O no hydrogen 2.741 N/A GLY 4.A N LEU 108.A O no hydrogen 2.745 N/A VAL 5.A N GLU 34.A O no hydrogen 2.793 N/A ILE 6.A N LEU 110.A O no hydrogen 2.881 N/A SER 7.A N TRP 36.A O no hydrogen 3.037 N/A SER 7.A OG GLU 142.A OE2 no hydrogen 2.497 N/A PHE 9.A N SER 7.A OG no hydrogen 2.805 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 3.008 N/A MET 12.A N PHE 9.A O no hydrogen 2.949 N/A PHE 13.A N PRO 10.A O no hydrogen 3.041 N/A LYS 14.A N GLU 11.A O no hydrogen 3.220 N/A ALA 15.A N MET 12.A O no hydrogen 3.107 N/A ILE 16.A N PHE 13.A O no hydrogen 2.995 N/A THR 17.A N PHE 13.A O no hydrogen 2.978 N/A THR 17.A OG1 PHE 13.A O no hydrogen 3.391 N/A GLU 18.A N LYS 14.A O no hydrogen 2.922 N/A THR 22.A OG1 ILE 16.A O no hydrogen 2.593 N/A THR 22.A OG1 PHE 19.A O no hydrogen 3.342 N/A GLY 23.A N PHE 19.A O no hydrogen 2.888 N/A ARG 24.A N GLY 20.A O no hydrogen 2.916 N/A ALA 25.A N VAL 21.A O no hydrogen 3.012 N/A VAL 26.A N THR 22.A O no hydrogen 2.913 N/A LYS 27.A N GLY 23.A O no hydrogen 2.981 N/A HIS 28.A N ARG 24.A O no hydrogen 2.920 N/A ASN 29.A N VAL 26.A O no hydrogen 3.107 N/A LEU 30.A N ALA 25.A O no hydrogen 2.892 N/A LEU 31.A N ALA 25.A O no hydrogen 3.231 N/A LYS 32.A N MET 1.A O no hydrogen 2.841 N/A LYS 32.A NZ VAL 33.A O no hydrogen 3.528 N/A GLU 34.A N ILE 3.A O no hydrogen 3.016 N/A TRP 36.A N VAL 5.A O no hydrogen 2.824 N/A ASN 37.A ND2 LEU 8.A O no hydrogen 3.673 N/A ARG 39.A N ASN 37.A OD1 no hydrogen 2.828 N/A ASP 40.A N ASN 37.A O no hydrogen 2.838 N/A PHE 41.A N PRO 38.A O no hydrogen 2.935 N/A THR 42.A N ARG 39.A O no hydrogen 3.300 N/A THR 42.A OG1 ARG 39.A O no hydrogen 2.688 N/A LYS 47.A N ASP 44.A O no hydrogen 3.111 N/A THR 48.A N ASP 44.A OD1 no hydrogen 2.915 N/A THR 48.A OG1 ASP 44.A OD2 no hydrogen 2.660 N/A ASP 51.A N LEU 61.A O no hydrogen 2.795 N/A ARG 52.A N ASP 51.A OD1 no hydrogen 2.790 N/A GLY 56.A N PRO 53.A O no hydrogen 3.209 N/A LEU 61.A N ASP 51.A O no hydrogen 2.843 N/A MET 62.A N GLY 117.A O no hydrogen 3.017 N/A MET 63.A N VAL 49.A O no hydrogen 2.805 N/A ARG 68.A N VAL 64.A O no hydrogen 2.881 N/A ASP 69.A N GLN 65.A O no hydrogen 2.992 N/A ALA 70.A N PRO 66.A O no hydrogen 3.063 N/A ILE 71.A N LEU 67.A O no hydrogen 2.912 N/A HIS 72.A N ARG 68.A O no hydrogen 2.923 N/A THR 73.A N ASP 69.A O no hydrogen 3.069 N/A THR 73.A OG1 ASP 69.A O no hydrogen 2.791 N/A ALA 74.A N ALA 70.A O no hydrogen 2.964 N/A LYS 75.A N ILE 71.A O no hydrogen 2.842 N/A ALA 76.A N HIS 72.A O no hydrogen 2.961 N/A ALA 77.A N THR 73.A O no hydrogen 2.988 N/A ALA 78.A N ALA 74.A O no hydrogen 2.914 N/A GLY 79.A N LYS 75.A O no hydrogen 3.107 N/A LYS 83.A N LYS 107.A O no hydrogen 3.456 N/A LYS 83.A NZ GLU 129.A OE2 no hydrogen 2.936 N/A VAL 84.A N ASP 128.A OD2 no hydrogen 2.810 N/A ILE 85.A N ILE 109.A O no hydrogen 2.725 N/A TYR 86.A N GLU 129.A O no hydrogen 3.041 N/A LEU 87.A N VAL 111.A O no hydrogen 3.404 N/A SER 88.A N TRP 131.A O no hydrogen 2.800 N/A SER 88.A OG GLU 130.A OE1 no hydrogen 2.943 N/A GLN 90.A N SER 88.A OG no hydrogen 2.965 N/A GLY 91.A N SER 88.A O no hydrogen 2.931 N/A ARG 92.A N GLU 130.A O no hydrogen 2.924 N/A ARG 92.A NH1 GLU 101.A OE1 no hydrogen 3.199 N/A ARG 92.A NH2 GLU 101.A OE1 no hydrogen 3.322 N/A ARG 92.A NH2 GLU 101.A OE2 no hydrogen 3.257 N/A LYS 93.A NZ ASP 135.A OD2 no hydrogen 2.752 N/A LEU 94.A N SER 132.A O no hydrogen 2.791 N/A GLY 98.A N ASP 95.A OD2 no hydrogen 3.085 N/A VAL 99.A N ASP 95.A O no hydrogen 2.956 N/A THR 100.A N GLN 96.A O no hydrogen 3.027 N/A THR 100.A OG1 GLY 97.A O no hydrogen 2.757 N/A GLU 101.A N GLY 97.A O no hydrogen 3.152 N/A LEU 102.A N GLY 98.A O no hydrogen 2.879 N/A ALA 103.A N VAL 99.A O no hydrogen 2.762 N/A GLN 104.A N GLU 101.A O no hydrogen 3.140 N/A ASN 105.A N LEU 102.A O no hydrogen 3.197 N/A ASN 105.A ND2 LEU 102.A O no hydrogen 2.764 N/A LYS 107.A NZ ALA 78.A O no hydrogen 2.703 N/A LYS 107.A NZ GLU 80.A O no hydrogen 3.208 N/A LEU 108.A N TRP 2.A O no hydrogen 3.150 N/A ILE 109.A N LYS 83.A O no hydrogen 2.957 N/A LEU 110.A N GLY 4.A O no hydrogen 2.751 N/A VAL 111.A N ILE 85.A O no hydrogen 2.731 N/A CYS 112.A N ILE 6.A O no hydrogen 2.906 N/A ARG 114.A NE GLU 142.A OE1 no hydrogen 2.805 N/A ARG 114.A NH2 GLU 142.A OE1 no hydrogen 3.022 N/A GLU 116.A N MET 60.A O no hydrogen 2.931 N/A GLY 117.A N ARG 114.A O no hydrogen 3.067 N/A ARG 121.A N ASP 119.A OD2 no hydrogen 2.820 N/A ARG 121.A NE ASP 119.A OD2 no hydrogen 2.893 N/A ARG 121.A NH1 ASP 119.A OD1 no hydrogen 2.796 N/A ARG 121.A NH1 ASP 119.A OD2 no hydrogen 3.564 N/A LEU 122.A N ASP 119.A O no hydrogen 2.937 N/A GLN 124.A N GLU 120.A O no hydrogen 3.112 N/A THR 125.A N ARG 121.A O no hydrogen 2.879 N/A THR 125.A OG1 ARG 121.A O no hydrogen 2.859 N/A GLU 126.A N LEU 122.A O no hydrogen 2.769 N/A ILE 127.A N ILE 123.A O no hydrogen 3.288 N/A ASP 128.A N VAL 84.A O no hydrogen 2.840 N/A GLU 129.A N VAL 84.A O no hydrogen 3.278 N/A TRP 131.A N TYR 86.A O no hydrogen 3.150 N/A TRP 131.A NE1 GLU 129.A OE1 no hydrogen 2.916 N/A SER 132.A N ARG 92.A O no hydrogen 2.847 N/A GLY 134.A N SER 132.A OG no hydrogen 3.063 N/A GLY 141.A N GLY 113.A O no hydrogen 2.806 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.932 N/A ALA 145.A N GLY 141.A O no hydrogen 2.876 N/A MET 146.A N GLU 142.A O no hydrogen 2.914 N/A THR 147.A N LEU 143.A O no hydrogen 2.892 N/A THR 147.A OG1 LEU 143.A O no hydrogen 2.860 N/A LEU 148.A N PRO 144.A O no hydrogen 2.929 N/A ILE 149.A N ALA 145.A O no hydrogen 2.910 N/A ASP 150.A N MET 146.A O no hydrogen 2.873 N/A ALA 151.A N THR 147.A O no hydrogen 2.984 N/A VAL 152.A N LEU 148.A O no hydrogen 2.896 N/A ALA 153.A N ILE 149.A O no hydrogen 2.863 N/A PHE 155.A N VAL 152.A O no hydrogen 2.979 N/A ILE 156.A N ALA 153.A O no hydrogen 3.095 N/A VAL 159.A N ILE 156.A O no hydrogen 3.057 N/A ASP 164.A N SER 161.A O no hydrogen 2.949 N/A GLY 165.A N PHE 162.A O no hydrogen 2.940 N/A LEU 166.A N SER 161.A O no hydrogen 2.999 N/A LEU 167.A N THR 207.A OG1 no hydrogen 2.943 N/A CYS 169.A SG PRO 170.A O no hydrogen 3.722 N/A HIS 171.A NE2 ASP 168.A OD2 no hydrogen 2.694 N/A ARG 174.A N THR 173.A OG1 no hydrogen 2.755 N/A LEU 178.A N LEU 181.A O no hydrogen 2.841 N/A LEU 181.A N LEU 178.A O no hydrogen 2.868 N/A VAL 183.A N GLU 176.A O no hydrogen 3.111 N/A LEU 187.A N PRO 184.A O no hydrogen 2.978 N/A MET 188.A N PRO 185.A O no hydrogen 2.941 N/A SER 189.A N VAL 186.A O no hydrogen 3.174 N/A SER 189.A OG VAL 186.A O no hydrogen 2.735 N/A HIS 191.A N SER 189.A OG no hydrogen 2.715 N/A ILE 195.A N HIS 191.A O no hydrogen 2.996 N/A ARG 196.A N HIS 192.A O no hydrogen 2.980 N/A ARG 196.A NE GLU 193.A OE1 no hydrogen 3.128 N/A ARG 196.A NH1 GLU 223.A OE2 no hydrogen 3.095 N/A ARG 196.A NH2 GLU 193.A OE2 no hydrogen 2.689 N/A ARG 196.A NH2 GLU 223.A OE1 no hydrogen 2.796 N/A LYS 197.A N GLU 193.A O no hydrogen 3.050 N/A LYS 197.A NZ GLU 193.A OE2 no hydrogen 3.152 N/A LYS 197.A NZ GLU 223.A OE1 no hydrogen 2.577 N/A TRP 198.A N GLU 194.A O no hydrogen 2.862 N/A ARG 199.A N ILE 195.A O no hydrogen 2.891 N/A LEU 200.A N ARG 196.A O no hydrogen 3.065 N/A LYS 201.A N LYS 197.A O no hydrogen 2.862 N/A LYS 201.A NZ GLU 230.A OE2 no hydrogen 3.121 N/A LYS 201.A NZ GLU 234.A OE1 no hydrogen 2.905 N/A GLN 202.A N TRP 198.A O no hydrogen 2.889 N/A SER 203.A N ARG 199.A O no hydrogen 2.982 N/A SER 203.A OG LEU 167.A O no hydrogen 2.838 N/A LEU 204.A N LEU 200.A O no hydrogen 2.935 N/A GLN 205.A N LYS 201.A O no hydrogen 2.761 N/A GLN 205.A NE2 ALA 231.A O no hydrogen 3.395 N/A ARG 206.A N GLN 202.A O no hydrogen 2.866 N/A ARG 206.A NE ASP 168.A O no hydrogen 2.964 N/A ARG 206.A NH2 ASP 168.A O no hydrogen 3.541 N/A THR 207.A N SER 203.A O no hydrogen 2.973 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.813 N/A TRP 208.A N LEU 204.A O no hydrogen 2.997 N/A LEU 209.A N GLN 205.A O no hydrogen 2.927 N/A ARG 210.A N ARG 206.A O no hydrogen 2.882 N/A ARG 211.A N THR 207.A O no hydrogen 2.859 N/A ARG 211.A NE GLU 213.A OE1 no hydrogen 3.102 N/A ARG 211.A NH2 GLU 213.A OE1 no hydrogen 3.515 N/A LEU 214.A N ARG 211.A O no hydrogen 3.034 N/A LEU 215.A N PRO 212.A O no hydrogen 3.121 N/A GLU 216.A N GLU 213.A O no hydrogen 3.168 N/A GLY 217.A N LEU 214.A O no hydrogen 3.192 N/A LEU 218.A N LEU 215.A O no hydrogen 3.089 N/A GLN 224.A N THR 221.A OG1 no hydrogen 3.075 N/A ARG 225.A N THR 221.A O no hydrogen 2.836 N/A LYS 226.A N ASP 222.A O no hydrogen 2.989 N/A LEU 227.A N GLU 223.A O no hydrogen 2.945 N/A LEU 228.A N GLN 224.A O no hydrogen 2.842 N/A LYS 229.A N ARG 225.A O no hydrogen 3.050 N/A GLU 230.A N LYS 226.A O no hydrogen 2.935 N/A ALA 231.A N LEU 227.A O no hydrogen 2.984 N/A GLN 232.A N LEU 228.A O no hydrogen 2.828 N/A ALA 233.A N LYS 229.A O no hydrogen 2.905 N/A GLU 234.A N GLU 230.A O no hydrogen 2.960 N/A HIS 235.A N ALA 231.A O no hydrogen 2.897 N/A ASN 236.A N GLN 232.A O no hydrogen 3.020 N/A SER 237.A N GLU 234.A O no hydrogen 3.067 N/A SER 237.A OG ALA 233.A O no hydrogen 2.875 N/A