Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lkm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N LEU 24.A O no hydrogen 2.742 N/A MET 4.A N ASP 138.A OD2 no hydrogen 2.932 N/A GLY 5.A N MET 22.A O no hydrogen 2.818 N/A ILE 6.A N GLU 135.A O no hydrogen 3.035 N/A LEU 7.A N LEU 20.A O no hydrogen 2.765 N/A TRP 8.A N VAL 133.A O no hydrogen 2.805 N/A TRP 8.A NE1 GLU 135.A OE2 no hydrogen 2.806 N/A GLU 9.A N ILE 18.A O no hydrogen 2.913 N/A ASP 11.A N LYS 16.A O no hydrogen 2.951 N/A ILE 13.A N ASP 11.A OD1 no hydrogen 3.177 N/A ILE 14.A N ASP 11.A O no hydrogen 3.279 N/A ASN 15.A N PRO 12.A O no hydrogen 3.168 N/A LYS 16.A N ASP 11.A O no hydrogen 3.462 N/A TRP 17.A N MET 64.A O no hydrogen 2.782 N/A ILE 18.A N GLU 9.A O no hydrogen 2.713 N/A ARG 19.A NH1 ASP 50.A OD2 no hydrogen 2.895 N/A ARG 19.A NH1 TYR 53.A O no hydrogen 2.719 N/A ARG 19.A NH2 TYR 53.A O no hydrogen 2.920 N/A LEU 20.A N LEU 7.A O no hydrogen 2.719 N/A SER 21.A N GLY 48.A O no hydrogen 2.983 N/A SER 21.A OG THR 49.A O no hydrogen 2.647 N/A MET 22.A N GLY 5.A O no hydrogen 2.931 N/A LYS 23.A N GLY 46.A O no hydrogen 2.858 N/A LEU 24.A N GLU 3.A O no hydrogen 2.868 N/A LYS 25.A N VAL 43.A O no hydrogen 2.917 N/A GLU 27.A N HIS 41.A O no hydrogen 2.924 N/A PHE 31.A N ALA 39.A O no hydrogen 2.780 N/A GLY 34.A N ARG 37.A O no hydrogen 2.826 N/A GLU 38.A N LEU 88.A O no hydrogen 2.850 N/A ALA 39.A N ALA 32.A O no hydrogen 2.843 N/A TYR 40.A N LEU 86.A O no hydrogen 2.755 N/A THR 42.A N PHE 84.A O no hydrogen 2.961 N/A THR 42.A OG1 TYR 40.A O no hydrogen 3.206 N/A VAL 43.A N LYS 25.A O no hydrogen 2.886 N/A SER 44.A N THR 82.A O no hydrogen 2.775 N/A SER 44.A OG LEU 78.A O no hydrogen 2.647 N/A LEU 45.A N LYS 23.A O no hydrogen 2.747 N/A GLY 46.A N SER 44.A OG no hydrogen 2.992 N/A GLY 48.A N SER 21.A O no hydrogen 2.767 N/A THR 49.A OG1 GLU 51.A OE1 no hydrogen 2.858 N/A GLU 51.A N THR 49.A OG1 no hydrogen 3.328 N/A TYR 53.A N ASP 50.A O no hydrogen 3.012 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.825 N/A MET 64.A N PRO 61.A O no hydrogen 2.813 N/A ILE 65.A N ILE 62.A O no hydrogen 3.090 N/A SER 66.A N TRP 17.A O no hydrogen 2.859 N/A SER 66.A OG ILE 68.A O no hydrogen 2.629 N/A ILE 68.A N SER 66.A OG no hydrogen 3.107 N/A GLU 73.A N GLU 9.A OE1 no hydrogen 3.118 N/A GLU 73.A N GLU 9.A OE2 no hydrogen 2.813 N/A ALA 74.A N GLU 9.A OE1 no hydrogen 2.947 N/A THR 76.A N GLU 73.A O no hydrogen 3.219 N/A THR 76.A OG1 GLU 73.A O no hydrogen 3.189 N/A GLN 77.A N GLU 73.A O no hydrogen 2.911 N/A GLN 77.A NE2 GLU 73.A OE1 no hydrogen 2.839 N/A LEU 78.A N ALA 74.A O no hydrogen 2.777 N/A LYS 79.A N THR 76.A O no hydrogen 3.495 N/A GLY 81.A N SER 44.A O no hydrogen 2.868 N/A THR 82.A N LYS 79.A O no hydrogen 2.916 N/A THR 82.A OG1 LYS 79.A O no hydrogen 2.670 N/A PHE 84.A N THR 42.A O no hydrogen 2.870 N/A VAL 85.A N GLU 153.A O no hydrogen 2.855 N/A LEU 86.A N TYR 40.A O no hydrogen 2.903 N/A LYS 87.A N SER 151.A O no hydrogen 2.756 N/A LYS 87.A NZ GLU 153.A OE1 no hydrogen 2.970 N/A LYS 87.A NZ GLU 153.A OE2 no hydrogen 2.865 N/A LEU 88.A N GLU 38.A O no hydrogen 3.065 N/A TYR 89.A OH ASP 103.A OD2 no hydrogen 2.438 N/A LYS 90.A N LEU 36.A O no hydrogen 2.809 N/A LYS 90.A NZ GLU 33.A OE2 no hydrogen 3.081 N/A LYS 90.A NZ GLY 34.A O no hydrogen 2.681 N/A LYS 90.A NZ ALA 35.A O no hydrogen 3.160 N/A ALA 95.A N GLU 92.A O no hydrogen 2.963 N/A SER 96.A OG GLU 98.A OE1 no hydrogen 3.349 N/A ARG 97.A NE PHE 59.A O no hydrogen 2.723 N/A ARG 97.A NH1 GLU 135.A OE1 no hydrogen 2.969 N/A ARG 97.A NH2 PHE 59.A O no hydrogen 2.954 N/A ARG 97.A NH2 GLU 135.A OE2 no hydrogen 2.950 N/A LEU 99.A N SER 96.A O no hydrogen 3.120 N/A LEU 99.A N SER 96.A OG no hydrogen 3.286 N/A TYR 100.A N ARG 97.A O no hydrogen 3.236 N/A GLU 102.A N GLU 98.A O no hydrogen 2.834 N/A ASP 103.A N LEU 99.A O no hydrogen 2.831 N/A VAL 104.A N TYR 100.A O no hydrogen 3.123 N/A LYS 105.A N PHE 101.A O no hydrogen 2.901 N/A MET 106.A N GLU 102.A O no hydrogen 2.915 N/A GLN 107.A N ASP 103.A O no hydrogen 3.118 N/A GLN 107.A NE2 LEU 129.A O no hydrogen 2.878 N/A GLN 107.A NE2 THR 205.A OG1 no hydrogen 3.004 N/A MET 108.A N VAL 104.A O no hydrogen 3.037 N/A VAL 109.A N LYS 105.A O no hydrogen 2.809 N/A CYS 110.A N MET 106.A O no hydrogen 2.955 N/A CYS 110.A SG MET 106.A O no hydrogen 3.379 N/A ARG 111.A N GLN 107.A O no hydrogen 2.984 N/A ARG 111.A NH1 PHE 128.A O no hydrogen 2.836 N/A ASP 112.A N MET 108.A O no hydrogen 3.207 N/A TRP 113.A N VAL 109.A O no hydrogen 3.096 N/A GLY 114.A N CYS 110.A O no hydrogen 2.843 N/A ASN 115.A N ARG 111.A O no hydrogen 2.969 N/A LYS 116.A N ASP 112.A O no hydrogen 2.993 N/A PHE 117.A N TRP 113.A O no hydrogen 2.866 N/A ASN 118.A N GLY 114.A O no hydrogen 2.937 N/A ASN 118.A ND2 ILE 126.A O no hydrogen 2.781 N/A GLN 119.A N ASN 115.A O no hydrogen 3.114 N/A GLN 119.A N LYS 116.A O no hydrogen 3.192 N/A LYS 120.A N PHE 117.A O no hydrogen 3.034 N/A LYS 121.A N ASN 118.A O no hydrogen 2.975 N/A ILE 126.A N ASN 118.A OD1 no hydrogen 2.891 N/A GLU 127.A N ASP 202.A O no hydrogen 2.994 N/A LEU 129.A N TYR 204.A O no hydrogen 2.876 N/A SER 131.A OG ILE 152.A O no hydrogen 3.316 N/A TRP 132.A N ILE 152.A O no hydrogen 2.924 N/A TRP 132.A NE1 GLU 9.A OE1 no hydrogen 2.771 N/A VAL 133.A N TRP 8.A O no hydrogen 3.118 N/A VAL 134.A N CYS 150.A O no hydrogen 2.953 N/A GLU 135.A N ILE 6.A O no hydrogen 2.883 N/A LEU 136.A N ILE 148.A O no hydrogen 2.886 N/A ARG 139.A N LEU 136.A O no hydrogen 3.056 N/A ARG 139.A NE GLU 3.A OE1 no hydrogen 2.819 N/A ARG 139.A NH2 GLU 3.A OE2 no hydrogen 2.947 N/A SER 143.A N PRO 141.A O no hydrogen 2.546 N/A CYS 150.A N VAL 134.A O no hydrogen 2.896 N/A CYS 150.A SG VAL 134.A O no hydrogen 3.627 N/A SER 151.A N LYS 87.A O no hydrogen 3.136 N/A ILE 152.A N TRP 132.A O no hydrogen 2.903 N/A GLU 153.A N VAL 85.A O no hydrogen 2.926 N/A LYS 161.A N GLY 199.A O no hydrogen 2.846 N/A ASN 163.A N ILE 197.A O no hydrogen 2.778 N/A ASN 163.A ND2 ILE 197.A O no hydrogen 3.052 N/A ASN 164.A ND2 GLN 178.A OE1 no hydrogen 2.986 N/A ASN 164.A ND2 SER 181.A OG no hydrogen 3.154 N/A SER 165.A N ALA 169.A O no hydrogen 3.080 N/A ASN 166.A ND2 GLY 220.A O no hydrogen 2.960 N/A TYR 167.A N SER 165.A OG no hydrogen 3.052 N/A ALA 169.A N SER 165.A OG no hydrogen 3.074 N/A LEU 171.A N ASN 163.A O no hydrogen 2.822 N/A THR 172.A OG1 ASN 163.A OD1 no hydrogen 2.707 N/A ARG 174.A NH1 ASP 201.A O no hydrogen 3.403 N/A ARG 174.A NH1 ASP 202.A OD1 no hydrogen 3.153 N/A ARG 174.A NH1 TYR 204.A OH no hydrogen 3.376 N/A ARG 174.A NH2 ASP 202.A OD1 no hydrogen 2.752 N/A ARG 174.A NH2 ASP 202.A OD2 no hydrogen 3.203 N/A GLN 178.A NE2 ASN 163.A O no hydrogen 2.994 N/A ALA 179.A N SER 175.A O no hydrogen 2.886 N/A PHE 180.A N THR 176.A O no hydrogen 2.836 N/A SER 181.A N PRO 177.A O no hydrogen 3.128 N/A SER 181.A OG PRO 177.A O no hydrogen 3.353 N/A SER 181.A OG VAL 194.A O no hydrogen 2.729 N/A HIS 182.A N GLN 178.A O no hydrogen 2.997 N/A PHE 183.A N ALA 179.A O no hydrogen 2.750 N/A THR 184.A N PHE 180.A O no hydrogen 2.942 N/A THR 184.A OG1 SER 181.A O no hydrogen 2.736 N/A TYR 185.A N SER 181.A O no hydrogen 3.175 N/A GLU 186.A N HIS 182.A O no hydrogen 2.980 N/A LEU 187.A N PHE 183.A O no hydrogen 2.893 N/A SER 188.A N THR 184.A O no hydrogen 3.145 N/A SER 188.A OG THR 184.A O no hydrogen 2.762 N/A SER 188.A OG TYR 185.A O no hydrogen 3.187 N/A SER 188.A OG MET 192.A O no hydrogen 2.880 N/A ASN 189.A N GLU 186.A O no hydrogen 3.069 N/A LYS 190.A N TYR 185.A O no hydrogen 2.842 N/A GLN 191.A N SER 188.A O no hydrogen 3.017 N/A GLN 191.A N SER 188.A OG no hydrogen 3.178 N/A GLN 191.A NE2 ASN 189.A O no hydrogen 2.984 N/A MET 192.A N SER 188.A OG no hydrogen 3.099 N/A ILE 193.A N HIS 210.A O no hydrogen 2.998 N/A VAL 194.A N THR 184.A OG1 no hydrogen 2.963 N/A VAL 195.A N GLN 208.A O no hydrogen 2.754 N/A ASP 196.A N SER 165.A O no hydrogen 3.400 N/A ILE 197.A N ASN 164.A OD1 no hydrogen 2.888 N/A GLN 198.A NE2 ASP 196.A O no hydrogen 3.688 N/A GLN 198.A NE2 ASP 206.A O no hydrogen 2.930 N/A GLY 199.A N LYS 161.A O no hydrogen 2.950 N/A VAL 200.A N LEU 203.A O no hydrogen 2.954 N/A LEU 203.A N VAL 200.A O no hydrogen 2.894 N/A TYR 204.A N GLU 127.A O no hydrogen 2.775 N/A THR 205.A N GLN 198.A O no hydrogen 2.840 N/A THR 205.A OG1 GLU 153.A OE1 no hydrogen 2.602 N/A ASP 206.A N GLN 107.A OE1 no hydrogen 3.067 N/A GLN 208.A N VAL 195.A O no hydrogen 2.878 N/A GLN 208.A NE2 ILE 209.A O no hydrogen 2.941 N/A GLN 208.A NE2 PHE 217.A O no hydrogen 2.786 N/A HIS 210.A N ILE 193.A O no hydrogen 3.047 N/A THR 211.A N ASN 221.A OD1 no hydrogen 2.989 N/A THR 211.A OG1 ASP 213.A OD1 no hydrogen 3.154 N/A GLY 214.A N THR 211.A O no hydrogen 2.986 N/A GLY 214.A N THR 211.A OG1 no hydrogen 3.270 N/A LYS 215.A N ASP 213.A OD1 no hydrogen 2.910 N/A LYS 215.A NZ ASP 213.A O no hydrogen 3.449 N/A GLY 218.A N GLU 102.A OE2 no hydrogen 2.569 N/A ASN 221.A N GLY 218.A O no hydrogen 3.399 N/A ASN 221.A ND2 THR 211.A OG1 no hydrogen 3.009 N/A ASN 221.A ND2 GLY 216.A O no hydrogen 2.978 N/A GLY 223.A N ASN 221.A OD1 no hydrogen 3.076 N/A GLY 226.A N LEU 222.A O no hydrogen 3.160 N/A ILE 227.A N GLY 223.A O no hydrogen 3.070 N/A ASN 228.A N LYS 224.A O no hydrogen 2.804 N/A LYS 229.A N ALA 225.A O no hydrogen 3.043 N/A PHE 230.A N GLY 226.A O no hydrogen 3.138 N/A ILE 231.A N ILE 227.A O no hydrogen 3.145 N/A THR 232.A N ASN 228.A O no hydrogen 2.912 N/A THR 232.A OG1 LYS 229.A O no hydrogen 2.706 N/A THR 233.A N PHE 230.A O no hydrogen 3.377 N/A THR 233.A OG1 GLY 168.A O no hydrogen 2.502 N/A THR 233.A OG1 LYS 229.A O no hydrogen 3.494 N/A HIS 234.A N ILE 231.A O no hydrogen 3.295 N/A CYS 236.A SG HIS 182.A ND1 no hydrogen 3.446 N/A CYS 236.A SG HIS 234.A NE2 no hydrogen 3.619 N/A ASN 237.A ND2 SER 175.A O no hydrogen 3.095 N/A VAL 239.A N ASN 237.A OD1 no hydrogen 2.850 N/A CYS 240.A N ASN 237.A OD1 no hydrogen 3.030 N/A CYS 240.A SG HIS 182.A ND1 no hydrogen 3.815 N/A CYS 240.A SG HIS 234.A NE2 no hydrogen 3.611 N/A CYS 240.A SG ASN 237.A OD1 no hydrogen 3.765 N/A ALA 241.A N ASN 237.A O no hydrogen 3.000 N/A LEU 242.A N ALA 238.A O no hydrogen 3.012 N/A LEU 243.A N VAL 239.A O no hydrogen 3.025 N/A ASP 244.A N ALA 241.A O no hydrogen 3.039 N/A LEU 245.A N CYS 240.A O no hydrogen 3.075 N/A ASP 246.A N GLU 186.A OE2 no hydrogen 2.680 N/A