Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lka_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLY 133.A O no hydrogen 3.158 N/A VAL 1.A N LEU 134.A O no hydrogen 2.911 N/A VAL 1.A N ASP 187.A OD1 no hydrogen 3.475 N/A VAL 1.A N ASP 187.A OD2 no hydrogen 2.760 N/A VAL 2.A N SER 182.A O no hydrogen 2.876 N/A THR 5.A N GLN 147.A O no hydrogen 2.824 N/A ALA 7.A N LEU 145.A O no hydrogen 2.965 N/A ARG 9.A NH1 ASP 66.A OD1 no hydrogen 2.808 N/A SER 11.A N GLN 8.A O no hydrogen 3.114 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.838 N/A GLN 15.A N TRP 12.A O no hydrogen 3.103 N/A GLN 15.A NE2 ILE 16.A O no hydrogen 2.970 N/A ILE 16.A N GLY 32.A O no hydrogen 2.980 N/A SER 17.A N VAL 56.A O no hydrogen 3.023 N/A SER 17.A OG HIS 28.A ND1 no hydrogen 2.804 N/A LEU 18.A N CYS 30.A O no hydrogen 2.835 N/A GLN 19.A N ARG 54.A O no hydrogen 2.912 N/A GLN 19.A NE2 SER 17.A OG no hydrogen 2.971 N/A TYR 20.A N ALA 27.A O no hydrogen 2.920 N/A ARG 21.A N THR 52.A O no hydrogen 3.020 N/A SER 22.A N SER 25.A O no hydrogen 2.837 N/A SER 22.A OG SER 25.A O no hydrogen 3.339 N/A SER 22.A OG SER 25.A OG no hydrogen 3.083 N/A SER 25.A N SER 22.A O no hydrogen 2.991 N/A SER 25.A OG SER 22.A O no hydrogen 3.156 N/A SER 25.A OG SER 22.A OG no hydrogen 3.083 N/A ALA 27.A N TYR 20.A O no hydrogen 2.949 N/A HIS 28.A ND1 SER 17.A OG no hydrogen 2.804 N/A HIS 28.A NE2 GLY 186.A O no hydrogen 2.872 N/A THR 29.A N LEU 18.A O no hydrogen 2.832 N/A CYS 30.A N LEU 18.A O no hydrogen 3.197 N/A CYS 30.A SG THR 29.A O no hydrogen 3.150 N/A GLY 31.A N SER 188.A O no hydrogen 2.771 N/A THR 33.A N MET 41.A O no hydrogen 2.834 N/A LEU 34.A N SER 14.A O no hydrogen 2.856 N/A ILE 35.A N TRP 39.A O no hydrogen 2.891 N/A ARG 36.A N TRP 39.A O no hydrogen 3.224 N/A ARG 36.A NH1 ILE 35.A O no hydrogen 3.096 N/A TRP 39.A N ARG 36.A O no hydrogen 3.161 N/A VAL 40.A N LEU 97.A O no hydrogen 2.888 N/A MET 41.A N THR 33.A O no hydrogen 2.782 N/A THR 42.A N ALA 95.A O no hydrogen 2.940 N/A THR 42.A OG1 GLY 31.A O no hydrogen 2.841 N/A ALA 43.A N THR 42.A OG1 no hydrogen 2.751 N/A HIS 45.A N ASP 93.A OD1 no hydrogen 2.835 N/A HIS 45.A ND1 ASP 93.A OD2 no hydrogen 2.714 N/A HIS 45.A NE2 SER 188.A OG no hydrogen 3.031 N/A CYS 46.A N ALA 43.A O no hydrogen 3.076 N/A VAL 47.A N ALA 44.A O no hydrogen 2.979 N/A ASP 48.A N HIS 45.A O no hydrogen 3.418 N/A LEU 51.A N ARG 49.A O no hydrogen 2.879 N/A ARG 54.A N GLN 19.A O no hydrogen 2.927 N/A ARG 54.A NE GLN 19.A OE1 no hydrogen 2.866 N/A ARG 54.A NH2 GLN 19.A OE1 no hydrogen 2.778 N/A VAL 55.A N VAL 72.A O no hydrogen 2.803 N/A VAL 56.A N SER 17.A O no hydrogen 2.834 N/A VAL 57.A N GLN 70.A O no hydrogen 3.004 N/A HIS 60.A N GLU 59.A OE1 no hydrogen 2.907 N/A HIS 60.A N ASP 66.A OD2 no hydrogen 3.356 N/A HIS 60.A NE2 GLU 6.A OE2 no hydrogen 2.971 N/A ASN 61.A N ASP 66.A OD2 no hydrogen 2.851 N/A LEU 62.A N GLN 143.A O no hydrogen 2.821 N/A ASN 63.A N ASN 61.A OD1 no hydrogen 2.866 N/A GLN 64.A N ASN 61.A O no hydrogen 3.507 N/A ASP 66.A N GLU 69.A OE2 no hydrogen 2.833 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.932 N/A THR 68.A N GLU 69.A OE1 no hydrogen 3.170 N/A THR 68.A OG1 GLY 58.A O no hydrogen 2.644 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.697 N/A GLN 70.A N VAL 57.A O no hydrogen 2.991 N/A GLN 70.A NE2 THR 104.A O no hydrogen 2.837 N/A VAL 72.A N VAL 55.A O no hydrogen 2.950 N/A VAL 74.A N PHE 53.A O no hydrogen 3.147 N/A GLN 75.A N ARG 98.A O no hydrogen 2.790 N/A LYS 76.A N ARG 98.A O no hydrogen 3.219 N/A VAL 78.A N LEU 96.A O no hydrogen 2.836 N/A HIS 80.A N ILE 94.A O no hydrogen 3.114 N/A TYR 82.A N HIS 80.A ND1 no hydrogen 2.930 N/A TRP 83.A N HIS 80.A O no hydrogen 3.143 N/A TRP 83.A NE1 ASP 48.A OD1 no hydrogen 2.996 N/A THR 85.A OG1 ASP 48.A OD2 no hydrogen 2.572 N/A ASP 86.A N ASN 84.A OD1 no hydrogen 3.128 N/A ASP 87.A N ASN 84.A O no hydrogen 2.911 N/A ALA 90.A N ASP 87.A O no hydrogen 3.051 N/A GLY 91.A N VAL 88.A O no hydrogen 2.981 N/A ILE 94.A N TYR 92.A O no hydrogen 2.888 N/A ALA 95.A N THR 42.A O no hydrogen 2.955 N/A LEU 96.A N VAL 78.A O no hydrogen 2.793 N/A LEU 97.A N VAL 40.A O no hydrogen 2.788 N/A ARG 98.A N LYS 76.A O no hydrogen 2.792 N/A ARG 98.A NE GLN 75.A OE1 no hydrogen 2.846 N/A ARG 98.A NH1 ASN 240.A O no hydrogen 2.870 N/A ARG 98.A NH2 GLN 75.A OE1 no hydrogen 3.103 N/A LEU 99.A N ASN 38.A O no hydrogen 2.884 N/A ALA 100.A N GLY 73.A O no hydrogen 2.900 N/A VAL 103.A N GLN 37.A O no hydrogen 3.042 N/A THR 104.A N GLN 70.A OE1 no hydrogen 2.956 N/A ASN 106.A N VAL 109.A O no hydrogen 2.908 N/A TYR 108.A N ASN 106.A OD1 no hydrogen 2.857 N/A VAL 109.A N ASN 106.A O no hydrogen 3.123 N/A GLN 110.A N PRO 13.A O no hydrogen 3.166 N/A GLN 110.A NE2 ASN 106.A O no hydrogen 2.867 N/A GLY 112.A N LEU 34.A O no hydrogen 2.737 N/A ARG 116.A NH2 THR 119.A OG1 no hydrogen 3.101 N/A GLY 118.A N SER 227.A O no hydrogen 2.895 N/A THR 119.A N ARG 116.A O no hydrogen 3.132 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.812 N/A ASN 124.A N THR 152.A O no hydrogen 2.837 N/A SER 125.A N ALA 122.A O no hydrogen 3.210 N/A SER 125.A N THR 152.A OG1 no hydrogen 2.966 N/A SER 125.A OG ALA 122.A O no hydrogen 2.687 N/A CYS 127.A SG SER 125.A O no hydrogen 3.733 N/A TYR 128.A N HIS 193.A O no hydrogen 2.787 N/A ILE 129.A N ALA 148.A O no hydrogen 2.900 N/A THR 130.A OG1 GLN 15.A OE1 no hydrogen 2.669 N/A THR 130.A OG1 HIS 193.A NE2 no hydrogen 2.880 N/A GLY 131.A N GLN 146.A O no hydrogen 2.922 N/A TRP 132.A NE1 HIS 60.A O no hydrogen 2.930 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.783 N/A LEU 134.A N GLN 185.A O no hydrogen 2.841 N/A THR 135.A N GLN 140.A O no hydrogen 3.080 N/A THR 137.A OG1 ASN 215.A OD1 no hydrogen 3.352 N/A GLY 139.A N ARG 136.A O no hydrogen 2.802 N/A ALA 142.A N TRP 132.A O no hydrogen 3.001 N/A LEU 145.A N HIS 60.A O no hydrogen 3.008 N/A GLN 146.A N GLY 131.A O no hydrogen 3.003 N/A GLN 146.A NE2 THR 144.A O no hydrogen 3.116 N/A GLN 147.A N THR 5.A O no hydrogen 2.878 N/A ALA 148.A N ILE 129.A O no hydrogen 3.021 N/A LEU 150.A N CYS 127.A O no hydrogen 2.783 N/A THR 152.A N SER 125.A O no hydrogen 2.839 N/A THR 152.A OG1 ALA 122.A O no hydrogen 3.038 N/A VAL 153.A N CYS 174.A O no hydrogen 2.902 N/A ASP 154.A N ASN 123.A OD1 no hydrogen 2.925 N/A ILE 157.A N ASP 154.A OD1 no hydrogen 2.981 N/A CYS 158.A N ASP 154.A O no hydrogen 2.739 N/A SER 159.A N TYR 155.A O no hydrogen 2.809 N/A SER 159.A OG TYR 155.A O no hydrogen 2.618 N/A SER 160.A N ILE 157.A O no hydrogen 3.026 N/A SER 160.A OG ILE 157.A O no hydrogen 2.590 N/A TYR 163.A N SER 160.A O no hydrogen 3.048 N/A TRP 164.A N CYS 158.A O no hydrogen 2.869 N/A TRP 164.A NE1 PRO 220.A O no hydrogen 2.841 N/A GLY 165.A N SER 160.A O no hydrogen 3.023 N/A THR 167.A N TRP 164.A O no hydrogen 3.202 N/A THR 167.A OG1 TRP 164.A O no hydrogen 3.269 N/A LYS 169.A NZ ALA 89.A O no hydrogen 2.716 N/A LYS 169.A NZ SER 166.A O no hydrogen 2.881 N/A LYS 169.A NZ THR 167.A O no hydrogen 3.184 N/A MET 172.A N LYS 169.A O no hydrogen 3.027 N/A VAL 173.A N PHE 223.A O no hydrogen 2.757 N/A ALA 175.A N THR 221.A O no hydrogen 2.950 N/A GLY 176.A N PRO 151.A O no hydrogen 2.799 N/A VAL 180.A N ASP 178.A OD1 no hydrogen 2.810 N/A ARG 181.A N ASP 178.A OD1 no hydrogen 2.865 N/A ARG 181.A NE ASP 178.A OD2 no hydrogen 3.361 N/A SER 182.A N VAL 2.A O no hydrogen 3.040 N/A SER 182.A OG GLY 183.A O no hydrogen 2.817 N/A GLY 183.A N THR 221.A OG1 no hydrogen 2.908 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.830 N/A CYS 184.A SG ARG 136.A O no hydrogen 3.907 N/A CYS 184.A SG GLN 185.A OE1 no hydrogen 3.429 N/A GLN 185.A N GLN 185.A OE1 no hydrogen 2.813 N/A ASP 187.A N CYS 184.A O no hydrogen 3.026 N/A SER 188.A OG HIS 45.A NE2 no hydrogen 3.031 N/A GLY 189.A N THR 206.A O no hydrogen 2.822 N/A GLY 190.A N ASP 187.A O no hydrogen 2.980 N/A LEU 192.A N GLY 204.A O no hydrogen 3.018 N/A HIS 193.A N TYR 128.A O no hydrogen 2.880 N/A HIS 193.A NE2 THR 130.A OG1 no hydrogen 2.880 N/A CYS 194.A N ALA 201.A O no hydrogen 2.880 N/A VAL 196.A N GLN 199.A O no hydrogen 2.879 N/A GLN 199.A N VAL 196.A O no hydrogen 3.089 N/A GLN 199.A NE2.B GLY 198.A O no hydrogen 2.790 N/A ALA 201.A N CYS 194.A O no hydrogen 3.009 N/A VAL 202.A N VAL 113.A O no hydrogen 2.759 N/A HIS 203.A N LEU 192.A O no hydrogen 2.887 N/A GLY 204.A N LEU 192.A O no hydrogen 3.395 N/A VAL 205.A N THR 224.A O no hydrogen 3.063 N/A THR 206.A N GLY 190.A O no hydrogen 2.806 N/A THR 206.A OG1 GLY 190.A O no hydrogen 3.342 N/A SER 207.A N VAL 222.A O no hydrogen 2.806 N/A SER 207.A OG ASP 93.A OD2 no hydrogen 2.673 N/A PHE 208.A N VAL 222.A O no hydrogen 3.038 N/A LEU 212.A N SER 210.A OG no hydrogen 2.955 N/A GLY 213.A N SER 210.A O no hydrogen 3.072 N/A CYS 214.A N THR 137.A OG1 no hydrogen 2.896 N/A CYS 214.A SG GLN 185.A OE1 no hydrogen 3.306 N/A ASN 215.A ND2 GLY 179.A O no hydrogen 3.022 N/A ARG 218.A N GLY 177.A O no hydrogen 2.981 N/A ARG 218.A NH1 SER 162.A OG no hydrogen 2.979 N/A LYS 219.A N VAL 216.A O no hydrogen 2.963 N/A LYS 219.A NZ TYR 163.A O no hydrogen 2.684 N/A LYS 219.A NZ ARG 218.A O no hydrogen 3.570 N/A THR 221.A N ALA 175.A O no hydrogen 2.903 N/A VAL 222.A N PHE 208.A O no hydrogen 2.971 N/A PHE 223.A N VAL 173.A O no hydrogen 2.825 N/A THR 224.A N VAL 205.A O no hydrogen 2.773 N/A THR 224.A OG1 ASP 93.A O no hydrogen 2.768 N/A ARG 225.A N SER 171.A O no hydrogen 2.853 N/A ARG 225.A NE ASN 170.A O no hydrogen 2.974 N/A ARG 225.A NH1 SER 227.A OG no hydrogen 2.944 N/A ARG 225.A NH2 ASN 170.A O no hydrogen 3.069 N/A VAL 226.A N HIS 203.A O no hydrogen 2.975 N/A SER 227.A OG THR 119.A O no hydrogen 2.641 N/A ALA 228.A N ARG 225.A O no hydrogen 2.986 N/A TYR 229.A N VAL 226.A O no hydrogen 2.933 N/A ILE 233.A N TYR 229.A O no hydrogen 2.876 N/A ASN 234.A N ILE 230.A O no hydrogen 2.977 N/A ASN 235.A N SER 231.A O no hydrogen 2.908 N/A VAL 236.A N TRP 232.A O no hydrogen 2.881 N/A ILE 237.A N ILE 233.A O no hydrogen 3.053 N/A ALA 238.A N ASN 234.A O no hydrogen 2.938 N/A SER 239.A N ASN 235.A O no hydrogen 3.163 N/A SER 239.A N VAL 236.A O no hydrogen 3.267 N/A SER 239.A OG ASN 235.A O no hydrogen 2.940 N/A SER 239.A OG VAL 236.A O no hydrogen 3.439 N/A ASN 240.A N ILE 237.A O no hydrogen 3.250 N/A ASN 240.A ND2 VAL 236.A O no hydrogen 2.941 N/A