Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4de1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLN 5.A OE1 no hydrogen 2.812 N/A SER 2.A OG GLN 5.A OE1 no hydrogen 3.366 N/A GLN 5.A N SER 2.A OG no hydrogen 3.017 N/A GLN 5.A NE2 LEU 33.A O.A no hydrogen 2.807 N/A GLN 5.A NE2 LEU 33.A O.B no hydrogen 2.863 N/A GLN 6.A N SER 2.A O no hydrogen 2.868 N/A GLN 6.A NE2 THR 1.A O no hydrogen 3.298 N/A LYS 7.A N ALA 3.A O no hydrogen 2.970 N/A LEU 8.A N VAL 4.A O no hydrogen 2.932 N/A ALA 9.A N GLN 5.A O no hydrogen 2.895 N/A ALA 10.A N GLN 6.A O no hydrogen 3.025 N/A LEU 11.A N LYS 7.A O no hydrogen 2.902 N/A GLU 12.A N LEU 8.A O no hydrogen 2.859 N/A LYS 13.A N ALA 9.A O no hydrogen 2.894 N/A SER 14.A N.A ALA 10.A O no hydrogen 3.095 N/A SER 14.A N.B ALA 10.A O no hydrogen 3.073 N/A SER 14.A OG.A ALA 10.A O no hydrogen 3.142 N/A SER 15.A N LEU 11.A O no hydrogen 3.048 N/A SER 15.A N GLU 12.A O no hydrogen 3.041 N/A SER 15.A OG GLU 12.A O no hydrogen 2.685 N/A GLY 16.A N GLU 12.A O no hydrogen 3.237 N/A GLY 16.A N LYS 13.A O no hydrogen 3.349 N/A GLY 17.A N SER 15.A OG no hydrogen 3.048 N/A ARG 18.A N THR 238.A O no hydrogen 2.784 N/A ARG 18.A NH1 GLU 38.A OE1 no hydrogen 3.031 N/A ARG 18.A NH1 ARG 39.A O no hydrogen 3.035 N/A ARG 18.A NH2 ARG 39.A O no hydrogen 2.934 N/A LEU 19.A N GLU 12.A OE2 no hydrogen 2.826 N/A GLY 20.A N TYR 236.A O no hydrogen 2.790 N/A VAL 21.A N TYR 34.A O no hydrogen 2.831 N/A ALA 22.A N VAL 234.A O no hydrogen 2.995 N/A LEU 23.A N VAL 32.A O no hydrogen 2.828 N/A ILE 24.A N VAL 232.A O no hydrogen 2.839 N/A ASP 25.A N THR 30.A O no hydrogen 2.879 N/A THR 26.A N PRO 230.A O no hydrogen 2.996 N/A THR 26.A OG1 PRO 230.A O no hydrogen 2.671 N/A ALA 27.A N ASP 25.A OD1 no hydrogen 2.663 N/A ASP 28.A N ASP 25.A O no hydrogen 3.325 N/A THR 30.A N ASP 28.A OD1 no hydrogen 2.973 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.693 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.502 N/A VAL 32.A N LEU 23.A O no hydrogen 3.061 N/A TYR 34.A N VAL 21.A O no hydrogen 2.900 N/A TYR 34.A OH GLU 12.A OE1 no hydrogen 2.648 N/A ARG 35.A NE GLU 12.A OE2 no hydrogen 2.787 N/A ARG 35.A NH1 GLU 38.A OE2 no hydrogen 2.829 N/A ARG 35.A NH2 GLU 12.A OE1 no hydrogen 2.904 N/A GLU 38.A N ARG 35.A O no hydrogen 3.161 N/A ARG 39.A NH1 THR 133.A O no hydrogen 3.022 N/A ARG 39.A NH1 THR 154.A OG1 no hydrogen 2.918 N/A ARG 39.A NH2 THR 133.A O no hydrogen 3.027 N/A PHE 40.A N THR 155.A O no hydrogen 2.916 N/A MET 42.A N ASP 153.A O no hydrogen 2.990 N/A THR 45.A N MET 42.A O no hydrogen 3.157 N/A THR 45.A OG1 MET 42.A O no hydrogen 2.777 N/A THR 45.A OG1 TYR 236.A OH no hydrogen 2.857 N/A SER 46.A N CYS 43.A O no hydrogen 3.064 N/A SER 46.A OG CYS 43.A O no hydrogen 2.872 N/A LYS 47.A N SER 44.A O no hydrogen 2.971 N/A LYS 47.A NZ SER 44.A OG no hydrogen 2.526 N/A LYS 47.A NZ SER 104.A O no hydrogen 3.049 N/A LYS 47.A NZ SER 104.A OG no hydrogen 3.084 N/A LYS 47.A NZ ASN 106.A OD1 no hydrogen 2.808 N/A VAL 48.A N THR 45.A O no hydrogen 3.307 N/A MET 49.A N.B SER 46.A O no hydrogen 3.097 N/A ALA 50.A N SER 46.A O no hydrogen 3.245 N/A ALA 51.A N LYS 47.A O no hydrogen 2.940 N/A ALA 52.A N VAL 48.A O no hydrogen 2.913 N/A ALA 53.A N MET 49.A O.A no hydrogen 2.905 N/A ALA 53.A N MET 49.A O.B no hydrogen 2.912 N/A VAL 54.A N ALA 50.A O no hydrogen 3.151 N/A LEU 55.A N ALA 51.A O no hydrogen 2.895 N/A LYS 56.A N ALA 52.A O no hydrogen 2.851 N/A LYS 56.A NZ GLU 59.A OE1 no hydrogen 2.957 N/A LYS 56.A NZ GLU 59.A OE2 no hydrogen 3.112 N/A LYS 56.A NZ ALA 172.A O no hydrogen 2.983 N/A GLN 57.A N ALA 53.A O no hydrogen 3.091 N/A GLN 57.A NE2 GLN 115.A OE1 no hydrogen 2.842 N/A SER 58.A N VAL 54.A O no hydrogen 2.927 N/A SER 58.A OG LEU 55.A O no hydrogen 2.664 N/A GLU 59.A N LYS 56.A O no hydrogen 3.064 N/A THR 60.A N GLN 57.A O no hydrogen 3.253 N/A THR 60.A OG1 GLN 57.A O no hydrogen 3.388 N/A GLN 61.A N SER 58.A O no hydrogen 3.170 N/A LEU 64.A N.A GLN 61.A O no hydrogen 3.016 N/A LEU 64.A N.B GLN 61.A O no hydrogen 3.003 N/A ASN 66.A N GLN 63.A O no hydrogen 2.973 N/A ASN 66.A ND2 GLN 63.A OE1 no hydrogen 3.070 N/A GLN 67.A N LEU 64.A O.A no hydrogen 2.929 N/A GLN 67.A N LEU 64.A O.B no hydrogen 2.928 N/A VAL 69.A N MET 91.A O no hydrogen 2.802 N/A ILE 71.A N GLY 89.A O no hydrogen 2.992 N/A LYS 72.A N.A ASP 75.A OD2 no hydrogen 2.788 N/A LYS 72.A N.B ASP 75.A OD2 no hydrogen 2.797 N/A ASP 75.A N LYS 72.A O.A no hydrogen 2.790 N/A ASP 75.A N LYS 72.A O.B no hydrogen 2.781 N/A LEU 76.A N PRO 73.A O no hydrogen 3.257 N/A VAL 77.A N ASN 80.A OD1 no hydrogen 3.041 N/A VAL 77.A N THR 107.A OG1 no hydrogen 3.412 N/A TYR 79.A N ASN 80.A OD1 no hydrogen 3.259 N/A ASN 80.A ND2 VAL 77.A O no hydrogen 3.264 N/A ILE 82.A N ASP 105.A OD2 no hydrogen 2.840 N/A ALA 83.A N ASP 105.A OD2 no hydrogen 2.868 N/A GLU 84.A N ASN 80.A O no hydrogen 3.043 N/A LYS 85.A N ILE 82.A O no hydrogen 3.026 N/A HIS 86.A N ALA 83.A O no hydrogen 2.901 N/A HIS 86.A ND1 ILE 82.A O no hydrogen 3.096 N/A ASN 88.A N ILE 71.A O no hydrogen 2.726 N/A GLY 89.A N HIS 86.A O no hydrogen 2.811 N/A MET 91.A N VAL 69.A O no hydrogen 2.961 N/A THR 92.A N GLU 95.A OE2 no hydrogen 2.894 N/A THR 92.A OG1 LEU 65.A O no hydrogen 3.283 N/A LEU 93.A N GLN 67.A O no hydrogen 3.147 N/A ALA 94.A N LEU 65.A O no hydrogen 2.923 N/A GLU 95.A N THR 92.A OG1 no hydrogen 3.028 N/A LEU 96.A N THR 92.A O no hydrogen 2.831 N/A SER 97.A N LEU 93.A O no hydrogen 2.907 N/A SER 97.A OG LEU 93.A O no hydrogen 2.850 N/A ALA 98.A N ALA 94.A O no hydrogen 2.903 N/A ALA 99.A N GLU 95.A O no hydrogen 2.915 N/A ALA 100.A N LEU 96.A O no hydrogen 2.898 N/A LEU 101.A N SER 97.A O no hydrogen 2.917 N/A GLN 102.A N ALA 98.A O no hydrogen 2.792 N/A GLN 102.A NE2 TRP 184.A O no hydrogen 2.919 N/A TYR 103.A N ALA 99.A O no hydrogen 3.062 N/A ASP 105.A N ALA 99.A O no hydrogen 3.202 N/A ASN 106.A N TYR 79.A O no hydrogen 2.867 N/A ASN 106.A ND2 ASN 78.A OD1 no hydrogen 2.874 N/A THR 107.A OG1 ASP 75.A O no hydrogen 3.279 N/A THR 107.A OG1 ASN 80.A OD1 no hydrogen 2.833 N/A ALA 108.A N ASP 105.A OD1 no hydrogen 2.876 N/A MET 109.A N ASP 105.A O no hydrogen 3.109 N/A ASN 110.A N ASN 106.A O no hydrogen 3.024 N/A ASN 110.A ND2 GLU 140.A O no hydrogen 2.943 N/A LYS 111.A N THR 107.A O no hydrogen 3.064 N/A LYS 111.A NZ GLU 70.A O no hydrogen 3.197 N/A LYS 111.A NZ ASP 75.A OD2 no hydrogen 2.836 N/A LEU 112.A N ALA 108.A O no hydrogen 3.071 N/A ILE 113.A N MET 109.A O no hydrogen 2.910 N/A ALA 114.A N ASN 110.A O no hydrogen 2.931 N/A GLN 115.A N LYS 111.A O no hydrogen 2.962 N/A LEU 116.A N LEU 112.A O no hydrogen 3.224 N/A LEU 116.A N ILE 113.A O no hydrogen 3.043 N/A GLY 117.A N ALA 114.A O no hydrogen 2.999 N/A GLY 118.A N ILE 113.A O no hydrogen 2.907 N/A GLY 121.A N GLY 118.A O no hydrogen 2.895 N/A VAL 122.A N PRO 119.A O no hydrogen 2.924 N/A THR 123.A N PRO 119.A O no hydrogen 3.206 N/A THR 123.A OG1 PRO 119.A O no hydrogen 3.569 N/A THR 123.A OG1 LEU 136.A O no hydrogen 3.234 N/A ALA 124.A N GLY 120.A O no hydrogen 2.853 N/A PHE 125.A N GLY 121.A O no hydrogen 3.198 N/A ALA 126.A N VAL 122.A O no hydrogen 3.054 N/A ARG 127.A N THR 123.A O no hydrogen 2.954 N/A ARG 127.A NH1 ASP 131.A O no hydrogen 2.807 N/A ARG 127.A NH1 PHE 134.A O no hydrogen 2.848 N/A ARG 127.A NH2 PHE 134.A O no hydrogen 3.076 N/A ALA 128.A N ALA 124.A O no hydrogen 3.013 N/A ILE 129.A N PHE 125.A O no hydrogen 3.113 N/A ILE 129.A N ALA 126.A O no hydrogen 3.153 N/A GLY 130.A N ARG 127.A O no hydrogen 3.051 N/A ASP 131.A N ALA 126.A O no hydrogen 2.903 N/A THR 133.A N ASP 131.A OD1 no hydrogen 2.875 N/A PHE 134.A N ASP 131.A OD1 no hydrogen 2.826 N/A ARG 135.A N THR 154.A O no hydrogen 3.101 N/A ARG 135.A NE ASP 137.A OD2 no hydrogen 2.905 N/A ARG 135.A NH2 ASP 137.A OD1 no hydrogen 3.015 N/A LEU 136.A N THR 123.A OG1 no hydrogen 2.950 N/A ASP 137.A N ASP 153.A OD1 no hydrogen 2.680 N/A ARG 138.A N ASP 153.A OD1 no hydrogen 3.080 N/A ARG 138.A NE ASP 153.A OD2 no hydrogen 2.757 N/A ARG 138.A NH1 THR 145.A OG1 no hydrogen 2.908 N/A ARG 138.A NH2 THR 145.A OG1 no hydrogen 3.143 N/A ARG 138.A NH2 ASP 153.A OD2 no hydrogen 2.828 N/A GLU 140.A N ASN 110.A OD1 no hydrogen 2.827 N/A LEU 143.A N THR 139.A O no hydrogen 2.964 N/A ASN 144.A N PRO 141.A O no hydrogen 3.246 N/A ASN 144.A ND2 GLU 140.A OE2 no hydrogen 2.793 N/A ASN 144.A ND2 PRO 141.A O no hydrogen 3.055 N/A THR 145.A N THR 142.A O no hydrogen 3.190 N/A THR 145.A OG1 THR 142.A O no hydrogen 3.391 N/A ASP 150.A N ILE 147.A O no hydrogen 3.057 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 3.022 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 3.060 N/A ARG 152.A NE ASP 150.A OD2 no hydrogen 3.160 N/A ARG 152.A NH2 ASP 150.A OD2 no hydrogen 2.735 N/A ASP 153.A N ASP 137.A OD2 no hydrogen 2.944 N/A THR 154.A OG1 PRO 151.A O no hydrogen 2.685 N/A THR 155.A N PHE 40.A O no hydrogen 3.150 N/A ARG 158.A N GLY 36.A O no hydrogen 2.961 N/A ARG 158.A NE ASP 37.A OD1 no hydrogen 2.751 N/A ARG 158.A NH2 ASP 37.A OD2 no hydrogen 2.853 N/A ALA 159.A N THR 156.A OG1 no hydrogen 3.130 N/A MET 160.A N.A THR 156.A O no hydrogen 3.017 N/A MET 160.A N.B THR 156.A O no hydrogen 3.022 N/A ALA 161.A N PRO 157.A O no hydrogen 2.956 N/A GLN 162.A N ARG 158.A O no hydrogen 3.078 N/A THR 163.A N ALA 159.A O no hydrogen 2.960 N/A THR 163.A OG1 ASP 131.A OD2 no hydrogen 2.640 N/A THR 163.A OG1 ALA 159.A O no hydrogen 3.303 N/A LEU 164.A N MET 160.A O.A no hydrogen 2.860 N/A LEU 164.A N MET 160.A O.B no hydrogen 2.832 N/A ARG 165.A N ALA 161.A O no hydrogen 2.926 N/A ARG 165.A NH1 ASN 29.A OD1 no hydrogen 3.082 N/A ARG 165.A NH2 ASN 29.A OD1 no hydrogen 2.879 N/A GLN 166.A N GLN 162.A O no hydrogen 2.967 N/A LEU 167.A N THR 163.A O no hydrogen 2.929 N/A THR 168.A N LEU 164.A O no hydrogen 2.968 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.779 N/A LEU 169.A N ARG 165.A O no hydrogen 2.848 N/A GLY 170.A N ARG 165.A O no hydrogen 2.953 N/A ALA 172.A N GLN 166.A O no hydrogen 3.199 N/A GLY 174.A N GLU 59.A OE2 no hydrogen 2.831 N/A ARG 178.A N GLY 174.A O no hydrogen 2.830 N/A ARG 178.A NH2 GLY 170.A O no hydrogen 3.208 N/A ALA 179.A N GLU 175.A O no hydrogen 3.076 N/A GLN 180.A N THR 176.A O.A no hydrogen 2.978 N/A GLN 180.A N THR 176.A O.B no hydrogen 2.974 N/A LEU 181.A N GLN 177.A O no hydrogen 2.900 N/A VAL 182.A N ARG 178.A O no hydrogen 2.946 N/A THR 183.A N ALA 179.A O no hydrogen 2.919 N/A THR 183.A OG1 ALA 179.A O no hydrogen 3.015 N/A TRP 184.A N GLN 180.A O no hydrogen 2.961 N/A LEU 185.A N LEU 181.A O no hydrogen 2.918 N/A LYS 186.A N VAL 182.A O no hydrogen 2.867 N/A GLY 187.A N THR 183.A O no hydrogen 3.135 N/A GLY 187.A N TRP 184.A O no hydrogen 3.090 N/A ASN 188.A N LEU 185.A O no hydrogen 3.090 N/A ASN 188.A ND2 THR 190.A OG1 no hydrogen 3.071 N/A ASN 188.A ND2 ASP 207.A OD1 no hydrogen 2.925 N/A THR 189.A N GLN 102.A O no hydrogen 3.047 N/A THR 189.A OG1 GLN 102.A O no hydrogen 2.685 N/A THR 190.A N ASN 188.A OD1 no hydrogen 3.158 N/A THR 190.A OG1 ASN 188.A OD1 no hydrogen 3.169 N/A THR 190.A OG1 THR 209.A OG1 no hydrogen 2.699 N/A SER 194.A N GLY 191.A O no hydrogen 3.149 N/A ILE 195.A N ASP 219.A OD2 no hydrogen 2.964 N/A ARG 196.A NH1.A TRP 203.A O no hydrogen 3.504 N/A ARG 196.A NH1.B ASP 207.A OD1 no hydrogen 2.860 N/A ALA 197.A N SER 194.A O no hydrogen 3.010 N/A GLY 198.A N ILE 195.A O no hydrogen 2.905 N/A LEU 199.A N ARG 196.A O.A no hydrogen 2.983 N/A LEU 199.A N ARG 196.A O.B no hydrogen 3.318 N/A TRP 203.A N PRO 200.A O no hydrogen 3.090 N/A THR 204.A N TRP 224.A O no hydrogen 3.135 N/A GLY 206.A N VAL 222.A O.A no hydrogen 2.898 N/A GLY 206.A N VAL 222.A O.B no hydrogen 2.903 N/A ASP 207.A N LEU 185.A O no hydrogen 3.306 N/A LYS 208.A N ILE 220.A O no hydrogen 2.894 N/A LYS 208.A NZ SER 104.A OG no hydrogen 2.806 N/A LYS 208.A NZ THR 209.A O no hydrogen 2.821 N/A THR 209.A OG1 THR 190.A OG1 no hydrogen 2.699 N/A GLY 210.A N ASN 218.A O no hydrogen 2.973 N/A GLY 212.A N THR 216.A O no hydrogen 3.091 N/A ASP 213.A N ASN 144.A O no hydrogen 3.179 N/A TYR 214.A N GLN 242.A O no hydrogen 2.879 N/A THR 216.A N GLY 212.A O no hydrogen 3.350 N/A THR 216.A N ASP 213.A O no hydrogen 3.129 N/A THR 216.A OG1 ASP 213.A O no hydrogen 2.738 N/A THR 216.A OG1 THR 238.A OG1 no hydrogen 2.756 N/A THR 217.A N PHE 237.A O no hydrogen 2.849 N/A THR 217.A OG1 GLY 215.A O no hydrogen 2.907 N/A ASN 218.A N GLY 210.A O no hydrogen 2.813 N/A ASN 218.A ND2 PRO 41.A O no hydrogen 2.839 N/A ASN 218.A ND2 MET 42.A O no hydrogen 3.046 N/A ASP 219.A N THR 235.A O no hydrogen 2.927 N/A ILE 220.A N LYS 208.A O no hydrogen 3.015 N/A ALA 221.A N LEU 233.A O no hydrogen 2.833 N/A VAL 222.A N.A GLY 206.A O no hydrogen 2.969 N/A VAL 222.A N.B GLY 206.A O no hydrogen 2.974 N/A ILE 223.A N LEU 231.A O no hydrogen 2.816 N/A TRP 224.A N THR 204.A O no hydrogen 2.804 N/A ARG 228.A NH2 ASP 25.A OD2 no hydrogen 2.947 N/A LEU 231.A N ILE 223.A O no hydrogen 2.805 N/A VAL 232.A N ILE 24.A O no hydrogen 2.907 N/A LEU 233.A N ALA 221.A O no hydrogen 2.915 N/A VAL 234.A N ALA 22.A O no hydrogen 2.855 N/A THR 235.A N ASP 219.A O no hydrogen 2.930 N/A THR 235.A OG1 ASP 219.A O no hydrogen 3.462 N/A TYR 236.A N GLY 20.A O no hydrogen 2.775 N/A TYR 236.A OH THR 45.A OG1 no hydrogen 2.857 N/A PHE 237.A N ASN 218.A OD1 no hydrogen 3.232 N/A THR 238.A N ARG 18.A O no hydrogen 2.970 N/A THR 238.A OG1 THR 216.A OG1 no hydrogen 2.756 N/A GLN 239.A N TYR 214.A O no hydrogen 2.813 N/A GLN 239.A NE2 GLY 215.A O no hydrogen 2.931 N/A GLN 239.A NE2 GLU 245.A O no hydrogen 2.805 N/A ALA 244.A N GLN 241.A O no hydrogen 3.061 N/A ARG 247.A N THR 217.A OG1 no hydrogen 2.991 N/A ARG 247.A NE ASP 249.A OD1 no hydrogen 2.841 N/A ARG 247.A NH2 ASP 249.A OD2 no hydrogen 2.862 N/A VAL 250.A N ARG 247.A O no hydrogen 3.017 N/A ALA 252.A N ARG 248.A O no hydrogen 3.035 N/A SER 253.A N ASP 249.A O no hydrogen 2.899 N/A SER 253.A OG ASP 249.A O no hydrogen 3.112 N/A ALA 254.A N VAL 250.A O no hydrogen 2.937 N/A ALA 255.A N LEU 251.A O no hydrogen 2.931 N/A ARG 256.A N ALA 252.A O no hydrogen 2.892 N/A ILE 257.A N SER 253.A O no hydrogen 3.075 N/A ILE 258.A N ALA 254.A O no hydrogen 3.016 N/A ALA 259.A N ALA 255.A O no hydrogen 2.849 N/A GLU 260.A N ARG 256.A O no hydrogen 2.953 N/A GLY 261.A N ILE 258.A O no hydrogen 3.107 N/A LEU 262.A N ALA 259.A O no hydrogen 3.432 N/A