Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG VAL 4.A O no hydrogen 3.041 N/A HIS 5.A N THR 16.A O no hydrogen 2.893 N/A HIS 5.A NE2 ASP 18.A OD2 no hydrogen 2.664 N/A GLU 7.A N TYR 14.A O no hydrogen 3.080 N/A GLN 9.A N ALA 12.A O no hydrogen 2.897 N/A ALA 12.A N GLN 9.A O no hydrogen 3.201 N/A LEU 13.A N SER 49.A O no hydrogen 3.008 N/A TYR 14.A N GLU 7.A O no hydrogen 2.747 N/A ILE 15.A N ILE 51.A O no hydrogen 2.731 N/A THR 16.A N HIS 5.A O no hydrogen 2.919 N/A LEU 17.A N GLN 53.A O no hydrogen 2.850 N/A ASP 18.A N TYR 3.A O no hydrogen 2.822 N/A TYR 19.A N ASN 24.A OD1 no hydrogen 2.831 N/A TYR 19.A OH ASP 27.A OD2 no hydrogen 2.616 N/A LYS 22.A N TYR 19.A O no hydrogen 3.158 N/A LYS 22.A NZ ASP 27.A OD2 no hydrogen 2.981 N/A LYS 22.A NZ ASP 68.A OD1 no hydrogen 3.368 N/A LYS 22.A NZ ASP 68.A OD2 no hydrogen 2.798 N/A LYS 23.A N PRO 20.A O no hydrogen 3.040 N/A ASN 24.A N TYR 19.A O no hydrogen 2.927 N/A ASN 24.A ND2 LEU 17.A O no hydrogen 3.613 N/A ASN 24.A ND2 PHE 60.A O no hydrogen 2.949 N/A GLY 25.A N LYS 22.A O no hydrogen 2.916 N/A LEU 26.A N GLY 63.A O no hydrogen 3.189 N/A LEU 30.A N ASP 27.A OD1 no hydrogen 2.833 N/A GLY 31.A N ASP 27.A O no hydrogen 2.828 N/A THR 32.A N ALA 28.A O no hydrogen 2.835 N/A THR 32.A OG1 ALA 28.A O no hydrogen 2.555 N/A SER 33.A N GLU 29.A O no hydrogen 3.261 N/A SER 33.A OG GLU 29.A O no hydrogen 3.423 N/A LEU 34.A N LEU 30.A O no hydrogen 2.806 N/A LEU 35.A N GLY 31.A O no hydrogen 2.795 N/A GLU 36.A N THR 32.A O no hydrogen 3.164 N/A ALA 37.A N SER 33.A O no hydrogen 3.040 N/A ILE 38.A N LEU 34.A O no hydrogen 2.908 N/A ARG 39.A N LEU 35.A O no hydrogen 2.934 N/A ARG 39.A NE GLU 94.A OE2 no hydrogen 2.898 N/A ARG 39.A NH2 GLU 94.A OE2 no hydrogen 3.299 N/A ALA 40.A N GLU 36.A O no hydrogen 3.071 N/A GLY 41.A N ALA 37.A O no hydrogen 3.049 N/A ASN 42.A N ILE 38.A O no hydrogen 2.951 N/A ASN 42.A ND2 GLU 94.A O no hydrogen 2.925 N/A ASN 43.A N ARG 39.A O no hydrogen 2.938 N/A GLU 44.A N GLY 41.A O no hydrogen 3.296 N/A SER 46.A N GLU 44.A OE2 no hydrogen 3.170 N/A SER 46.A OG GLU 44.A OE2 no hydrogen 2.635 N/A HIS 48.A N ASP 11.A O no hydrogen 2.928 N/A HIS 48.A ND1 SER 49.A OG no hydrogen 2.784 N/A SER 49.A OG HIS 48.A ND1 no hydrogen 2.784 N/A ILE 50.A N VAL 101.A O no hydrogen 2.762 N/A ILE 51.A N LEU 13.A O no hydrogen 2.727 N/A LEU 52.A N VAL 103.A O no hydrogen 2.788 N/A GLN 53.A N ILE 15.A O no hydrogen 2.902 N/A GLN 53.A NE2 THR 16.A OG1 no hydrogen 3.112 N/A SER 54.A OG HIS 56.A O no hydrogen 3.489 N/A SER 54.A OG TYR 59.A O no hydrogen 2.953 N/A LYS 55.A N LEU 17.A O no hydrogen 3.242 N/A HIS 56.A N SER 54.A OG no hydrogen 3.133 N/A HIS 56.A NE2 ASP 18.A OD1 no hydrogen 2.627 N/A TYR 59.A N HIS 56.A O no hydrogen 3.414 N/A PHE 60.A N TYR 109.A O no hydrogen 2.794 N/A SER 61.A N TYR 109.A O no hydrogen 3.038 N/A SER 61.A OG ASN 24.A O no hydrogen 2.631 N/A SER 62.A N LYS 23.A O no hydrogen 3.051 N/A SER 62.A OG LYS 22.A O no hydrogen 2.970 N/A SER 62.A OG LYS 23.A O no hydrogen 3.081 N/A GLY 63.A N SER 61.A OG no hydrogen 3.122 N/A ARG 65.A NH1 LYS 22.A O no hydrogen 2.738 N/A LEU 69.A N ARG 65.A O no hydrogen 2.878 N/A LEU 70.A N LEU 66.A O no hydrogen 2.711 N/A ILE 71.A N GLU 67.A O no hydrogen 3.091 N/A CYS 72.A N ASP 68.A O no hydrogen 3.113 N/A CYS 72.A SG ASP 68.A O no hydrogen 3.817 N/A ALA 73.A N LEU 69.A O no hydrogen 2.934 N/A SER 74.A N LEU 70.A O no hydrogen 3.032 N/A SER 74.A N ILE 71.A O no hydrogen 2.978 N/A SER 74.A OG LEU 70.A O no hydrogen 2.734 N/A ARG 82.A N ASP 78.A O no hydrogen 2.986 N/A ARG 82.A NH1 GLU 234.A OE2 no hydrogen 2.862 N/A ARG 82.A NH2 GLU 234.A OE1 no hydrogen 3.009 N/A GLU 83.A N VAL 79.A O no hydrogen 3.008 N/A VAL 84.A N ARG 80.A O no hydrogen 3.162 N/A LEU 85.A N LEU 81.A O no hydrogen 2.999 N/A HIS 86.A N ARG 82.A O no hydrogen 2.881 N/A VAL 87.A N GLU 83.A O no hydrogen 3.219 N/A LEU 88.A N VAL 84.A O no hydrogen 2.925 N/A ASN 89.A N LEU 85.A O no hydrogen 2.713 N/A HIS 90.A N HIS 86.A O no hydrogen 3.101 N/A CYS 91.A N VAL 87.A O no hydrogen 3.032 N/A CYS 91.A SG GLY 31.A O no hydrogen 3.502 N/A CYS 91.A SG VAL 87.A O no hydrogen 3.526 N/A VAL 92.A N LEU 88.A O no hydrogen 3.143 N/A LEU 93.A N ASN 89.A O no hydrogen 2.982 N/A GLU 94.A N HIS 90.A O no hydrogen 2.840 N/A ILE 95.A N CYS 91.A O no hydrogen 3.008 N/A PHE 96.A N VAL 92.A O no hydrogen 2.981 N/A THR 97.A N LEU 93.A O no hydrogen 2.878 N/A THR 97.A OG1 LEU 93.A O no hydrogen 2.939 N/A SER 98.A N ILE 95.A O no hydrogen 2.934 N/A SER 98.A OG ASN 42.A OD1 no hydrogen 2.623 N/A SER 98.A OG LYS 100.A O no hydrogen 3.524 N/A LYS 100.A N SER 98.A OG no hydrogen 3.090 N/A LYS 100.A NZ GLU 44.A O no hydrogen 2.800 N/A LYS 100.A NZ ILE 47.A O no hydrogen 2.888 N/A VAL 101.A N HIS 48.A O no hydrogen 2.899 N/A THR 102.A N ASP 122.A OD2 no hydrogen 2.976 N/A VAL 103.A N ILE 50.A O no hydrogen 2.964 N/A ALA 104.A N ARG 123.A O no hydrogen 3.018 N/A LEU 105.A N LEU 52.A O no hydrogen 2.829 N/A ILE 106.A N ILE 125.A O no hydrogen 2.782 N/A ASN 107.A ND2 HIS 56.A O no hydrogen 2.728 N/A ALA 110.A N LYS 131.A O no hydrogen 2.885 N/A TYR 111.A N SER 61.A O no hydrogen 2.983 N/A GLY 112.A N LEU 133.A O no hydrogen 2.807 N/A GLY 114.A N TYR 111.A O no hydrogen 2.755 N/A PHE 115.A N GLY 112.A O no hydrogen 2.827 N/A ASN 116.A N GLY 112.A O no hydrogen 2.899 N/A ASN 116.A ND2 GLU 134.A OE1 no hydrogen 2.912 N/A MET 117.A N GLY 113.A O no hydrogen 3.115 N/A MET 118.A N PHE 115.A O no hydrogen 2.822 N/A LEU 119.A N ASN 116.A O no hydrogen 2.947 N/A ALA 120.A N MET 117.A O no hydrogen 3.269 N/A CYS 121.A N MET 118.A O no hydrogen 2.976 N/A ASP 122.A N THR 102.A OG1 no hydrogen 2.877 N/A ARG 123.A N THR 102.A O no hydrogen 3.151 N/A ARG 123.A NE GLU 183.A OE2 no hydrogen 2.817 N/A ARG 123.A NH2 GLU 183.A OE2 no hydrogen 3.130 N/A ARG 124.A N GLN 182.A OE1 no hydrogen 2.815 N/A ARG 124.A NE LEU 180.A O no hydrogen 2.976 N/A ARG 124.A NH1 CYS 121.A O no hydrogen 2.991 N/A ARG 124.A NH2 LEU 180.A O no hydrogen 3.116 N/A ILE 125.A N ALA 104.A O no hydrogen 2.936 N/A ALA 126.A N GLU 183.A O no hydrogen 3.086 N/A LEU 127.A N ILE 106.A O no hydrogen 2.876 N/A ARG 128.A N CYS 185.A O no hydrogen 2.901 N/A ARG 128.A NE GLU 186.A OE1 no hydrogen 2.647 N/A ARG 128.A NH1 GLU 173.A OE2 no hydrogen 2.569 N/A ARG 128.A NH2 GLU 186.A OE1 no hydrogen 3.240 N/A ARG 128.A NH2 GLU 186.A OE2 no hydrogen 3.201 N/A ARG 129.A NH1 ARG 57.A O no hydrogen 2.829 N/A ARG 129.A NH2 ARG 57.A O no hydrogen 2.748 N/A ALA 130.A N LEU 127.A O no hydrogen 3.003 N/A PHE 132.A N PHE 170.A O no hydrogen 2.973 N/A LYS 138.A NZ GLU 166.A O no hydrogen 3.208 N/A MET 139.A N ASN 135.A O no hydrogen 3.224 N/A GLY 140.A N HIS 137.A O no hydrogen 3.282 N/A ILE 141.A N PHE 136.A O no hydrogen 3.200 N/A GLY 146.A N GLU 232.A OE1 no hydrogen 2.782 N/A ALA 147.A N ASP 144.A O no hydrogen 2.997 N/A SER 148.A N GLU 232.A OE2 no hydrogen 3.013 N/A SER 148.A OG GLU 232.A OE2 no hydrogen 2.591 N/A TYR 149.A N GLY 146.A O no hydrogen 2.831 N/A PHE 150.A N GLY 146.A O no hydrogen 2.850 N/A LEU 151.A N ALA 147.A O no hydrogen 2.982 N/A ARG 153.A NH1 TYR 149.A O no hydrogen 2.946 N/A ILE 154.A N PHE 150.A O no hydrogen 2.907 N/A ILE 154.A N LEU 151.A O no hydrogen 3.199 N/A ILE 155.A N LEU 151.A O no hydrogen 2.843 N/A GLY 156.A N PRO 152.A O no hydrogen 2.919 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.723 N/A GLN 159.A N GLN 159.A OE1 no hydrogen 2.752 N/A THR 160.A N GLY 156.A O no hydrogen 2.984 N/A THR 160.A OG1 GLY 156.A O no hydrogen 2.780 N/A MET 161.A N TYR 157.A O no hydrogen 2.924 N/A ASN 162.A N GLU 158.A O no hydrogen 3.094 N/A LEU 163.A N GLN 159.A O no hydrogen 2.873 N/A LEU 164.A N THR 160.A O no hydrogen 2.957 N/A LEU 165.A N MET 161.A O no hydrogen 2.930 N/A GLU 166.A N ASN 162.A O no hydrogen 3.013 N/A GLY 167.A N LEU 163.A O no hydrogen 3.102 N/A PHE 170.A N PHE 132.A O no hydrogen 2.813 N/A SER 172.A OG ARG 128.A O no hydrogen 2.686 N/A GLU 174.A N THR 171.A OG1 no hydrogen 3.070 N/A ALA 175.A N THR 171.A O no hydrogen 2.885 N/A LEU 176.A N SER 172.A O no hydrogen 2.793 N/A ARG 177.A N GLU 173.A O no hydrogen 2.961 N/A ARG 177.A NE GLU 174.A OE1 no hydrogen 3.114 N/A ARG 177.A NH2 GLU 174.A OE2 no hydrogen 2.916 N/A LEU 178.A N GLU 174.A O no hydrogen 3.004 N/A GLY 179.A N LEU 176.A O no hydrogen 3.021 N/A LEU 180.A N ALA 175.A O no hydrogen 2.942 N/A ILE 181.A N ALA 175.A O no hydrogen 3.367 N/A GLN 182.A N ARG 124.A O no hydrogen 2.867 N/A GLN 182.A NE2 GLY 179.A O no hydrogen 3.112 N/A CYS 185.A N ALA 126.A O no hydrogen 2.917 N/A GLU 186.A N GLU 190.A OE1 no hydrogen 2.762 N/A GLU 190.A N ASN 187.A OD1 no hydrogen 2.739 N/A LEU 191.A N ASN 187.A O no hydrogen 2.938 N/A GLN 192.A N LYS 188.A O no hydrogen 2.902 N/A GLU 193.A N GLN 189.A O no hydrogen 3.149 N/A ARG 194.A N GLU 190.A O no hydrogen 2.946 N/A ARG 194.A NE GLU 183.A OE1 no hydrogen 2.941 N/A ARG 194.A NE GLU 183.A OE2 no hydrogen 3.272 N/A ARG 194.A NH2 GLU 183.A OE2 no hydrogen 2.910 N/A VAL 195.A N LEU 191.A O no hydrogen 2.983 N/A LYS 196.A N GLN 192.A O no hydrogen 3.162 N/A ASN 197.A N GLU 193.A O no hydrogen 3.030 N/A ASN 197.A ND2 GLU 193.A OE1 no hydrogen 3.406 N/A TYR 198.A N ARG 194.A O no hydrogen 2.816 N/A LEU 199.A N VAL 195.A O no hydrogen 2.888 N/A LYS 200.A N LYS 196.A O no hydrogen 3.006 N/A LYS 200.A NZ ASN 197.A OD1 no hydrogen 3.210 N/A ALA 201.A N ASN 197.A O no hydrogen 3.022 N/A VAL 202.A N TYR 198.A O no hydrogen 3.020 N/A SER 203.A N LEU 199.A O no hydrogen 2.903 N/A SER 203.A OG LYS 200.A O no hydrogen 2.729 N/A GLU 204.A N ALA 201.A O no hydrogen 3.306 N/A GLY 205.A N VAL 202.A O no hydrogen 2.935 N/A ILE 210.A N TYR 206.A O no hydrogen 2.865 N/A ALA 211.A N VAL 207.A O no hydrogen 3.001 N/A ALA 212.A N PRO 208.A O no hydrogen 2.950 N/A THR 213.A N ALA 209.A O no hydrogen 2.852 N/A THR 213.A OG1 ALA 209.A O no hydrogen 2.759 N/A LYS 214.A N ILE 210.A O no hydrogen 3.005 N/A LYS 214.A NZ SER 98.A O no hydrogen 2.955 N/A LYS 214.A NZ LYS 100.A O no hydrogen 2.721 N/A LYS 214.A NZ ASP 122.A OD1 no hydrogen 3.272 N/A LYS 214.A NZ ASP 122.A OD2 no hydrogen 2.778 N/A LYS 215.A N ALA 211.A O no hydrogen 2.994 N/A LEU 216.A N ALA 212.A O no hydrogen 2.955 N/A LEU 217.A N THR 213.A O no hydrogen 2.963 N/A LYS 218.A N LYS 214.A O no hydrogen 3.002 N/A LYS 218.A NZ PHE 96.A O no hydrogen 2.858 N/A GLY 219.A N LYS 215.A O no hydrogen 3.100 N/A ALA 221.A N LYS 218.A O no hydrogen 2.849 N/A GLU 223.A N LYS 220.A O no hydrogen 3.170 N/A GLU 224.A N LYS 220.A O no hydrogen 3.277 N/A LEU 225.A N ALA 221.A O no hydrogen 2.784 N/A LYS 226.A N ALA 222.A O no hydrogen 2.951 N/A LYS 226.A NZ GLU 223.A OE1 no hydrogen 3.546 N/A GLN 227.A N GLU 223.A O no hydrogen 3.009 N/A GLN 227.A NE2 GLU 223.A OE2 no hydrogen 3.014 N/A GLN 228.A N GLU 224.A O no hydrogen 2.972 N/A GLN 228.A NE2 SER 148.A OG no hydrogen 2.874 N/A LEU 229.A N LEU 225.A O no hydrogen 2.818 N/A GLU 230.A N LYS 226.A O no hydrogen 3.216 N/A GLN 231.A N GLN 227.A O no hydrogen 3.142 N/A GLU 232.A N GLN 228.A O no hydrogen 2.832 N/A THR 233.A N LEU 229.A O no hydrogen 3.013 N/A THR 233.A OG1 LEU 229.A O no hydrogen 2.869 N/A GLU 234.A N GLU 230.A O no hydrogen 3.094 N/A GLU 235.A N GLN 231.A O no hydrogen 2.965 N/A LEU 236.A N GLU 232.A O no hydrogen 2.933 N/A VAL 237.A N THR 233.A O no hydrogen 2.964 N/A ALA 238.A N GLU 234.A O no hydrogen 3.106 N/A LEU 239.A N GLU 235.A O no hydrogen 3.107 N/A PHE 240.A N LEU 236.A O no hydrogen 2.966 N/A LYS 241.A N ALA 238.A O no hydrogen 3.407 N/A GLN 242.A N LEU 239.A O no hydrogen 3.024 N/A GLN 242.A NE2 ALA 238.A O no hydrogen 3.309 N/A ILE 245.A N GLN 242.A O no hydrogen 3.161 N/A LYS 247.A N THR 243.A O no hydrogen 2.964 N/A ARG 248.A N GLU 244.A O no hydrogen 2.822 N/A ARG 248.A NE GLU 244.A OE2 no hydrogen 2.663 N/A ARG 248.A NH1 LYS 138.A O no hydrogen 3.067 N/A ARG 248.A NH2 GLU 244.A OE2 no hydrogen 3.385 N/A LEU 249.A N ILE 245.A O no hydrogen 2.853 N/A GLU 250.A N LYS 246.A O no hydrogen 2.820 N/A ALA 251.A N LYS 247.A O no hydrogen 3.163 N/A ALA 251.A N ARG 248.A O no hydrogen 3.120 N/A LEU 252.A N ARG 248.A O no hydrogen 3.064 N/A