Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jcl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N THR 3.A OG1 no hydrogen 3.277 N/A LYS 6.A NZ HIS 1.A O no hydrogen 3.189 N/A ALA 7.A N THR 3.A O no hydrogen 2.950 N/A SER 8.A N ASP 4.A O no hydrogen 2.896 N/A SER 8.A OG.B ASP 4.A O no hydrogen 3.287 N/A SER 8.A OG.B LEU 5.A O no hydrogen 3.162 N/A SER 9.A N LEU 5.A O no hydrogen 2.914 N/A SER 9.A OG LEU 5.A O no hydrogen 2.760 N/A LEU 10.A N LYS 6.A O no hydrogen 3.076 N/A ARG 11.A N ALA 7.A O no hydrogen 3.245 N/A ARG 11.A NH1 ASP 221.A OD2 no hydrogen 2.877 N/A ARG 11.A NH2 ASP 221.A OD1 no hydrogen 2.913 N/A ALA 12.A N SER 8.A O no hydrogen 2.880 N/A LEU 13.A N SER 9.A O no hydrogen 2.991 N/A LYS 14.A N LEU 10.A O no hydrogen 3.157 N/A LEU 15.A N ARG 11.A O no hydrogen 3.062 N/A LEU 15.A N ALA 12.A O no hydrogen 3.129 N/A MET 16.A N LEU 13.A O no hydrogen 3.131 N/A ASP 17.A N PHE 236.A O no hydrogen 2.812 N/A LEU 18.A N ALA 46.A O no hydrogen 2.951 N/A THR 19.A N ALA 238.A O no hydrogen 2.954 N/A THR 19.A OG1 ASP 17.A O no hydrogen 2.749 N/A THR 20.A N CYS 48.A O no hydrogen 3.000 N/A THR 20.A OG1 ASP 25.A OD1 no hydrogen 2.919 N/A THR 20.A OG1 ASP 25.A OD2 no hydrogen 3.292 N/A ASN 22.A N ASP 25.A OD2 no hydrogen 2.885 N/A ASN 22.A ND2 ASP 25.A OD1 no hydrogen 3.119 N/A ASP 25.A N ASN 22.A O no hydrogen 3.059 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.918 N/A LYS 29.A N THR 26.A OG1 no hydrogen 3.045 N/A LYS 29.A NZ ASP 24.A O no hydrogen 3.042 N/A VAL 30.A N THR 26.A O no hydrogen 3.008 N/A ILE 31.A N ASP 27.A O no hydrogen 2.836 N/A ALA 32.A N GLU 28.A O no hydrogen 3.005 N/A LEU 33.A N LYS 29.A O no hydrogen 3.027 N/A CYS 34.A N VAL 30.A O no hydrogen 2.959 N/A CYS 34.A SG VAL 30.A O no hydrogen 3.426 N/A CYS 34.A SG ALA 57.A O no hydrogen 3.863 N/A HIS 35.A N ILE 31.A O no hydrogen 3.081 N/A HIS 35.A ND1 GLN 64.A OE1 no hydrogen 2.862 N/A GLN 36.A N ALA 32.A O no hydrogen 2.965 N/A ALA 37.A N LEU 33.A O no hydrogen 3.037 N/A ALA 37.A N CYS 34.A O no hydrogen 3.242 N/A LYS 38.A N HIS 35.A O no hydrogen 3.224 N/A LYS 38.A NZ GLN 64.A O no hydrogen 2.782 N/A THR 39.A N GLY 42.A O no hydrogen 2.996 N/A THR 39.A OG1 GLY 42.A O no hydrogen 2.676 N/A VAL 41.A N THR 39.A OG1 no hydrogen 3.270 N/A GLY 42.A N THR 39.A O no hydrogen 3.169 N/A THR 44.A N ALA 37.A O no hydrogen 3.022 N/A THR 44.A OG1 ALA 46.A O no hydrogen 2.996 N/A ALA 46.A N MET 16.A O no hydrogen 3.082 N/A ILE 47.A N ARG 70.A O no hydrogen 2.890 N/A CYS 48.A N LEU 18.A O no hydrogen 2.839 N/A ILE 49.A N ALA 72.A O no hydrogen 3.154 N/A PHE 53.A N TYR 50.A O no hydrogen 3.001 N/A ILE 54.A N PRO 51.A O no hydrogen 2.996 N/A ALA 57.A N PHE 53.A O no hydrogen 3.027 N/A ARG 58.A N ILE 54.A O no hydrogen 2.856 N/A ARG 58.A NH1 ASP 100.A OD2 no hydrogen 2.864 N/A ARG 58.A NH2 GLY 98.A O no hydrogen 2.724 N/A ARG 58.A NH2 ASP 100.A OD1 no hydrogen 2.967 N/A ARG 58.A NH2 ASP 100.A OD2 no hydrogen 3.283 N/A LYS 59.A N PRO 55.A O no hydrogen 3.130 N/A THR 60.A N ILE 56.A O no hydrogen 3.003 N/A THR 60.A OG1 ILE 56.A O no hydrogen 2.797 N/A LEU 61.A N ALA 57.A O no hydrogen 2.893 N/A LYS 62.A N ARG 58.A O no hydrogen 3.025 N/A GLU 63.A N LYS 59.A O no hydrogen 2.940 N/A GLN 64.A N THR 60.A O no hydrogen 3.114 N/A GLN 64.A NE2 CYS 34.A O no hydrogen 2.923 N/A GLN 64.A NE2 THR 66.A OG1 no hydrogen 2.976 N/A GLY 65.A N LYS 62.A O no hydrogen 2.994 N/A THR 66.A N LEU 61.A O no hydrogen 2.933 N/A THR 66.A OG1 LEU 61.A O no hydrogen 3.386 N/A GLU 68.A N GLU 68.A OE2 no hydrogen 2.684 N/A ILE 69.A N THR 66.A O no hydrogen 3.215 N/A ARG 70.A N ALA 45.A O no hydrogen 3.115 N/A ARG 70.A NH1 ALA 45.A O no hydrogen 2.770 N/A ILE 71.A N ASP 100.A OD2 no hydrogen 2.864 N/A ALA 72.A N ILE 47.A O no hydrogen 2.804 N/A THR 73.A N GLU 101.A O no hydrogen 3.046 N/A THR 73.A OG1 ILE 49.A O no hydrogen 2.670 N/A VAL 74.A N THR 73.A OG1 no hydrogen 2.870 N/A THR 75.A N ASP 103.A O no hydrogen 3.039 N/A THR 75.A OG1 THR 91.A OG1 no hydrogen 3.116 N/A ASN 76.A N GLU 90.A OE1 no hydrogen 2.707 N/A ASN 76.A ND2 ASN 81.A O no hydrogen 2.872 N/A ASN 76.A ND2 VAL 105.A O no hydrogen 2.916 N/A GLY 80.A N ASN 76.A O no hydrogen 2.996 N/A ILE 86.A N ASP 83.A OD1 no hydrogen 2.979 N/A ALA 87.A N ASP 83.A O no hydrogen 3.130 N/A LEU 88.A N ILE 84.A O no hydrogen 2.842 N/A ALA 89.A N ASP 85.A O no hydrogen 2.946 N/A GLU 90.A N ILE 86.A O no hydrogen 2.975 N/A THR 91.A N ALA 87.A O no hydrogen 2.969 N/A THR 91.A OG1 THR 75.A OG1 no hydrogen 3.116 N/A THR 91.A OG1 ALA 87.A O no hydrogen 2.882 N/A ARG 92.A N LEU 88.A O no hydrogen 2.812 N/A ALA 93.A N ALA 89.A O no hydrogen 2.905 N/A ALA 94.A N GLU 90.A O no hydrogen 2.863 N/A ILE 95.A N THR 91.A O no hydrogen 2.977 N/A ALA 96.A N ARG 92.A O no hydrogen 2.949 N/A TYR 97.A N ALA 93.A O no hydrogen 2.870 N/A GLY 98.A N ALA 94.A O no hydrogen 3.278 N/A GLY 98.A N ILE 95.A O no hydrogen 3.011 N/A ALA 99.A N ALA 94.A O no hydrogen 3.009 N/A ASP 100.A N ILE 71.A O no hydrogen 2.820 N/A GLU 101.A N ILE 71.A O no hydrogen 3.179 N/A VAL 102.A N LEU 136.A O no hydrogen 2.892 N/A ASP 103.A N THR 73.A O no hydrogen 2.788 N/A VAL 104.A N LYS 138.A O no hydrogen 2.896 N/A VAL 105.A N THR 75.A O no hydrogen 3.076 N/A PHE 106.A N ILE 140.A O no hydrogen 2.846 N/A TYR 108.A N PHE 106.A O no hydrogen 2.810 N/A ARG 109.A NH1 HIS 79.A O no hydrogen 2.877 N/A ARG 109.A NH2 HIS 79.A O no hydrogen 3.053 N/A LEU 111.A N PRO 107.A O no hydrogen 3.211 N/A MET 112.A N TYR 108.A O no hydrogen 2.953 N/A ALA 113.A N ARG 109.A O no hydrogen 3.010 N/A GLY 114.A N LEU 111.A O no hydrogen 2.865 N/A ASN 115.A N ALA 110.A O no hydrogen 2.911 N/A GLN 117.A NE2 ASP 121.A OD1 no hydrogen 2.871 N/A VAL 118.A N ASN 115.A OD1 no hydrogen 2.977 N/A PHE 120.A N GLU 116.A O no hydrogen 3.428 N/A ASP 121.A N GLN 117.A O no hydrogen 2.881 N/A LEU 122.A N VAL 118.A O no hydrogen 2.835 N/A VAL 123.A N GLY 119.A O no hydrogen 3.018 N/A LYS 124.A N PHE 120.A O no hydrogen 2.897 N/A ALA 125.A N ASP 121.A O no hydrogen 2.987 N/A CYS 126.A N LEU 122.A O no hydrogen 3.142 N/A CYS 126.A SG THR 91.A OG1 no hydrogen 3.457 N/A CYS 126.A SG LEU 122.A O no hydrogen 3.482 N/A LYS 127.A N VAL 123.A O no hydrogen 2.785 N/A LYS 127.A NZ GLY 163.A O no hydrogen 2.744 N/A LYS 127.A NZ ASP 165.A OD1 no hydrogen 3.496 N/A GLU 128.A N LYS 124.A O no hydrogen 2.942 N/A ALA 129.A N ALA 125.A O no hydrogen 3.331 N/A CYS 130.A N CYS 126.A O no hydrogen 2.957 N/A CYS 130.A SG CYS 126.A O no hydrogen 3.408 N/A ALA 131.A N LYS 127.A O no hydrogen 2.763 N/A ALA 132.A N GLU 128.A O no hydrogen 3.160 N/A ALA 133.A N CYS 130.A O no hydrogen 2.967 N/A ASN 134.A N ALA 131.A O no hydrogen 3.142 N/A VAL 135.A N CYS 130.A O no hydrogen 2.918 N/A LEU 136.A N ASP 100.A O no hydrogen 3.183 N/A LEU 137.A N ASP 165.A OD2 no hydrogen 2.871 N/A LYS 138.A N VAL 102.A O no hydrogen 2.798 N/A LYS 138.A NZ ASP 17.A OD2 no hydrogen 2.907 N/A LYS 138.A NZ GLU 101.A OE1 no hydrogen 2.750 N/A LYS 138.A NZ ASP 103.A OD1 no hydrogen 2.791 N/A VAL 139.A N PHE 166.A O no hydrogen 2.924 N/A ILE 140.A N VAL 104.A O no hydrogen 2.820 N/A ILE 141.A N LYS 168.A O no hydrogen 3.055 N/A THR 143.A N THR 169.A O no hydrogen 2.888 N/A THR 143.A OG1 THR 169.A O no hydrogen 3.446 N/A GLU 145.A N GLU 142.A O no hydrogen 2.993 N/A LEU 146.A N GLU 142.A O no hydrogen 3.020 N/A LYS 147.A N THR 143.A O no hydrogen 2.906 N/A ASP 148.A N LEU 146.A O no hydrogen 2.770 N/A ILE 152.A N ASP 148.A O no hydrogen 2.951 N/A ARG 153.A N GLU 149.A O no hydrogen 2.911 N/A ARG 153.A NE GLU 149.A OE2 no hydrogen 2.880 N/A ARG 153.A NH2 GLU 149.A OE2 no hydrogen 2.661 N/A ARG 153.A NH2 GLU 188.A OE1 no hydrogen 2.594 N/A LYS 154.A N ALA 150.A O no hydrogen 2.910 N/A LYS 154.A NZ GLU 157.A OE1 no hydrogen 2.846 N/A ALA 155.A N LEU 151.A O no hydrogen 2.871 N/A SER 156.A N ILE 152.A O no hydrogen 3.103 N/A SER 156.A OG ILE 152.A O no hydrogen 2.888 N/A GLU 157.A N ARG 153.A O no hydrogen 2.864 N/A ILE 158.A N LYS 154.A O no hydrogen 2.868 N/A SER 159.A N ALA 155.A O no hydrogen 3.014 N/A SER 159.A OG ALA 155.A O no hydrogen 2.822 N/A ILE 160.A N SER 156.A O no hydrogen 2.936 N/A LYS 161.A N GLU 157.A O no hydrogen 2.903 N/A LYS 161.A NZ GLU 157.A OE2 no hydrogen 3.297 N/A ALA 162.A N ILE 158.A O no hydrogen 2.937 N/A GLY 163.A N ILE 160.A O no hydrogen 3.018 N/A ALA 164.A N SER 159.A O no hydrogen 2.930 N/A ASP 165.A N LEU 137.A O no hydrogen 2.829 N/A PHE 166.A N LEU 137.A O no hydrogen 3.295 N/A ILE 167.A N GLY 200.A O no hydrogen 2.949 N/A LYS 168.A N VAL 139.A O no hydrogen 2.815 N/A LYS 168.A NZ ASP 103.A OD2 no hydrogen 3.053 N/A THR 169.A N LYS 202.A O no hydrogen 3.069 N/A THR 169.A OG1 SER 170.A OG no hydrogen 2.903 N/A THR 169.A OG1 ALA 204.A O no hydrogen 3.117 N/A SER 170.A OG THR 169.A OG1 no hydrogen 2.903 N/A SER 170.A OG ALA 204.A O no hydrogen 3.392 N/A THR 171.A N GLU 142.A OE1 no hydrogen 2.857 N/A THR 171.A OG1 GLU 142.A OE1 no hydrogen 3.473 N/A THR 171.A OG1 GLU 142.A OE2 no hydrogen 2.592 N/A GLY 172.A N ASN 177.A OD1 no hydrogen 2.964 N/A LYS 173.A N THR 171.A OG1 no hydrogen 3.205 N/A LYS 173.A NZ LEU 21.A O no hydrogen 2.752 N/A ASN 177.A ND2 VAL 174.A O no hydrogen 2.933 N/A ALA 178.A N ALA 204.A O no hydrogen 3.214 N/A ALA 178.A N GLY 205.A O no hydrogen 3.322 N/A THR 179.A OG1 SER 182.A OG no hydrogen 3.247 N/A SER 182.A N THR 179.A OG1 no hydrogen 3.152 N/A SER 182.A OG THR 179.A OG1 no hydrogen 3.247 N/A ALA 183.A N THR 179.A O no hydrogen 2.980 N/A ARG 184.A N PRO 180.A O no hydrogen 2.924 N/A ARG 184.A NH1 GLU 222.A OE1 no hydrogen 3.310 N/A ARG 184.A NH1 GLU 222.A OE2 no hydrogen 2.930 N/A ARG 184.A NH2 GLU 222.A OE1 no hydrogen 2.810 N/A ILE 185.A N GLU 181.A O no hydrogen 2.922 N/A MET 186.A N SER 182.A O no hydrogen 3.020 N/A MET 187.A N ALA 183.A O no hydrogen 2.922 N/A GLU 188.A N ARG 184.A O no hydrogen 2.865 N/A VAL 189.A N ILE 185.A O no hydrogen 3.115 N/A ILE 190.A N MET 186.A O no hydrogen 3.233 N/A ARG 191.A N MET 187.A O no hydrogen 2.953 N/A ARG 191.A NE ASP 192.A OD1 no hydrogen 3.093 N/A ARG 191.A NH2 ASP 192.A OD1 no hydrogen 2.908 N/A ASP 192.A N GLU 188.A O no hydrogen 2.789 N/A MET 193.A N VAL 189.A O no hydrogen 2.931 N/A GLY 194.A N ARG 191.A O no hydrogen 3.009 N/A VAL 195.A N ILE 190.A O no hydrogen 3.085 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.830 N/A THR 198.A N VAL 195.A O no hydrogen 2.993 N/A THR 198.A OG1 VAL 195.A O no hydrogen 3.519 N/A VAL 199.A N VAL 195.A O no hydrogen 2.994 N/A GLY 200.A N ASP 165.A O no hydrogen 2.904 N/A PHE 201.A N HIS 233.A O no hydrogen 2.887 N/A LYS 202.A N ILE 167.A O no hydrogen 2.984 N/A LYS 202.A NZ ASP 17.A OD2 no hydrogen 2.686 N/A LYS 202.A NZ ASP 103.A OD2 no hydrogen 2.827 N/A ALA 204.A N THR 169.A OG1 no hydrogen 3.148 N/A ARG 208.A N ASP 212.A OD2 no hydrogen 2.954 N/A THR 209.A N ASP 212.A OD2 no hydrogen 3.005 N/A ALA 210.A N SER 244.A OG no hydrogen 2.928 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.791 N/A ASP 212.A N THR 209.A OG1 no hydrogen 3.270 N/A ALA 213.A N THR 209.A O no hydrogen 2.992 N/A GLN 214.A N ALA 210.A O no hydrogen 2.974 N/A LYS 215.A N GLU 211.A O no hydrogen 3.279 N/A LYS 215.A N ASP 212.A O no hydrogen 3.116 N/A LYS 215.A NZ GLU 211.A O no hydrogen 3.089 N/A LEU 217.A N ALA 213.A O no hydrogen 3.118 N/A ALA 218.A N GLN 214.A O no hydrogen 2.990 N/A ALA 220.A N TYR 216.A O no hydrogen 3.190 N/A ASP 221.A N LEU 217.A O no hydrogen 2.874 N/A GLU 222.A N ALA 218.A O no hydrogen 3.022 N/A LEU 223.A N ILE 219.A O no hydrogen 2.978 N/A PHE 224.A N ALA 220.A O no hydrogen 2.908 N/A GLY 225.A N ASP 221.A O no hydrogen 2.903 N/A TRP 228.A N GLY 225.A O no hydrogen 3.332 N/A TRP 228.A NE1 GLU 196.A O no hydrogen 2.931 N/A ASP 230.A N TRP 228.A O no hydrogen 2.884 N/A ARG 232.A NH1 ASP 165.A O no hydrogen 2.943 N/A ARG 232.A NH1 ARG 232.A O no hydrogen 2.878 N/A ARG 232.A NH2 THR 198.A O no hydrogen 2.941 N/A HIS 233.A N ASP 230.A O no hydrogen 2.892 N/A HIS 233.A ND1 ASP 230.A OD1 no hydrogen 2.660 N/A HIS 233.A NE2 LYS 197.A O no hydrogen 2.816 N/A ARG 235.A N PHE 201.A O no hydrogen 3.184 N/A ARG 235.A NE ALA 231.A O no hydrogen 2.801 N/A ARG 235.A NH1 ASP 17.A OD1 no hydrogen 2.791 N/A ARG 235.A NH1 GLU 101.A OE1 no hydrogen 2.852 N/A ARG 235.A NH1 GLU 101.A OE2 no hydrogen 3.401 N/A ARG 235.A NH2 GLU 101.A OE2 no hydrogen 2.851 N/A ARG 235.A NH2 ALA 231.A O no hydrogen 3.186 N/A PHE 236.A N LEU 15.A O no hydrogen 2.972 N/A GLY 237.A N PRO 203.A O no hydrogen 2.961 N/A ALA 238.A N ASP 17.A O no hydrogen 3.374 N/A SER 239.A OG SER 240.A OG no hydrogen 2.836 N/A SER 240.A OG SER 239.A OG no hydrogen 2.836 N/A LEU 245.A N LEU 241.A O no hydrogen 3.113 N/A LEU 246.A N LEU 242.A O no hydrogen 2.932 N/A LYS 247.A N ALA 243.A O no hydrogen 2.922 N/A ALA 248.A N SER 244.A O no hydrogen 2.984 N/A LEU 249.A N LEU 245.A O no hydrogen 3.060 N/A GLY 250.A N LYS 247.A O no hydrogen 3.054 N/A HIS 251.A N LEU 246.A O no hydrogen 2.824 N/A