Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3en0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 124.A OG no hydrogen 3.032 N/A ILE 6.A N PHE 204.A O no hydrogen 3.083 N/A LEU 7.A N LEU 125.A O no hydrogen 2.820 N/A ILE 8.A N ALA 202.A O no hydrogen 2.930 N/A ILE 9.A N GLY 127.A O no hydrogen 2.852 N/A GLY 10.A N THR 200.A O no hydrogen 2.874 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.813 N/A ASP 14.A N ASP 199.A OD1 no hydrogen 2.909 N/A LYS 15.A NZ GLU 13.A O no hydrogen 2.916 N/A VAL 16.A N ASP 14.A OD1 no hydrogen 2.970 N/A HIS 17.A N ASP 14.A OD1 no hydrogen 2.880 N/A ARG 19.A N ASP 14.A OD2 no hydrogen 2.768 N/A ARG 19.A NE LYS 15.A O no hydrogen 2.942 N/A GLN 23.A N ARG 19.A O no hydrogen 2.770 N/A THR 24.A N GLU 20.A O no hydrogen 2.980 N/A THR 24.A OG1 GLU 20.A O no hydrogen 2.738 N/A PHE 25.A N ILE 21.A O no hydrogen 3.114 N/A TRP 26.A N LEU 22.A O no hydrogen 3.014 N/A TRP 26.A NE1 GLY 61.A O no hydrogen 2.758 N/A SER 27.A N GLN 23.A O no hydrogen 2.883 N/A SER 27.A OG.A SER 1.A O no hydrogen 2.720 N/A SER 27.A OG.B GLN 23.A O no hydrogen 3.345 N/A ARG 28.A N THR 24.A O no hydrogen 2.904 N/A ARG 28.A NH1 GLN 3.A O no hydrogen 2.815 N/A ARG 28.A NH1 GLU 205.A OE1 no hydrogen 2.905 N/A ARG 28.A NH2 GLU 205.A OE2 no hydrogen 2.848 N/A SER 29.A N TRP 26.A O no hydrogen 3.139 N/A SER 29.A OG PHE 25.A O no hydrogen 2.853 N/A GLY 30.A N SER 27.A O no hydrogen 3.039 N/A GLY 31.A N TRP 26.A O no hydrogen 2.871 N/A ASP 33.A N GLY 30.A O no hydrogen 2.985 N/A ALA 34.A N GLY 31.A O no hydrogen 2.817 N/A ILE 35.A N THR 89.A OG1 no hydrogen 2.819 N/A ILE 36.A N GLU 64.A O no hydrogen 2.912 N/A GLY 37.A N GLY 90.A O no hydrogen 3.033 N/A ILE 38.A N LYS 66.A O no hydrogen 2.889 N/A ILE 39.A N PHE 92.A O no hydrogen 2.769 N/A SER 41.A OG ILE 70.A O no hydrogen 2.733 N/A SER 43.A N PRO 40.A O no hydrogen 2.916 N/A GLU 45.A N SER 43.A OG no hydrogen 2.971 N/A ILE 49.A N GLU 45.A O no hydrogen 3.089 N/A GLY 50.A N PRO 46.A O no hydrogen 2.772 N/A GLU 51.A N LEU 47.A O no hydrogen 2.737 N/A ARG 52.A N LEU 48.A O no hydrogen 2.890 N/A TYR 53.A N ILE 49.A O no hydrogen 3.260 N/A TYR 53.A OH GLU 13.A OE2 no hydrogen 2.637 N/A GLN 54.A N GLY 50.A O no hydrogen 2.972 N/A THR 55.A N GLU 51.A O no hydrogen 2.845 N/A THR 55.A OG1 GLU 51.A O no hydrogen 3.249 N/A ILE 56.A N ARG 52.A O no hydrogen 3.167 N/A PHE 57.A N TYR 53.A O no hydrogen 2.950 N/A SER 58.A N GLN 54.A O no hydrogen 2.872 N/A SER 58.A OG.B GLN 54.A O no hydrogen 3.203 N/A SER 58.A OG.B THR 55.A O no hydrogen 2.976 N/A ASP 59.A N THR 55.A O no hydrogen 2.977 N/A MET 60.A N ILE 56.A O no hydrogen 3.163 N/A GLY 61.A N PHE 57.A O no hydrogen 3.118 N/A GLY 61.A N SER 58.A O no hydrogen 3.138 N/A LYS 63.A N ALA 34.A O no hydrogen 2.884 N/A GLU 64.A N ALA 34.A O no hydrogen 3.186 N/A LYS 66.A N ILE 36.A O no hydrogen 2.972 N/A LEU 68.A N ILE 38.A O no hydrogen 2.789 N/A ASP 69.A N TYR 81.A OH no hydrogen 3.097 N/A ILE 70.A N LEU 68.A O no hydrogen 2.900 N/A ARG 71.A N GLN 75.A OE1 no hydrogen 2.740 N/A ARG 71.A NE ASP 69.A OD1 no hydrogen 2.903 N/A ARG 71.A NH2 ASP 69.A OD2 no hydrogen 2.829 N/A ASP 72.A N GLN 75.A OE1 no hydrogen 3.252 N/A ARG 73.A NH1 GLY 103.A O no hydrogen 2.991 N/A ARG 73.A NH1 ALA 106.A O no hydrogen 2.779 N/A ARG 73.A NH2 ALA 106.A O no hydrogen 2.811 N/A GLN 75.A N ASP 72.A O no hydrogen 3.093 N/A GLN 75.A N ASP 72.A OD1 no hydrogen 3.174 N/A GLN 75.A NE2 ASP 69.A O no hydrogen 2.921 N/A GLY 76.A N ARG 73.A O no hydrogen 2.736 N/A ASP 77.A N ALA 74.A O no hydrogen 2.862 N/A ASP 78.A N GLN 75.A O no hydrogen 3.098 N/A TYR 81.A N ASP 78.A OD2 no hydrogen 2.976 N/A ARG 82.A N ASP 78.A O no hydrogen 3.018 N/A ARG 82.A NH1 ASP 77.A O no hydrogen 3.324 N/A LEU 83.A N SER 79.A O no hydrogen 2.770 N/A PHE 84.A N GLY 80.A O no hydrogen 3.093 N/A VAL 85.A N TYR 81.A O no hydrogen 3.008 N/A GLU 86.A N ARG 82.A O no hydrogen 3.212 N/A GLN 87.A N LEU 83.A O no hydrogen 3.246 N/A GLN 87.A N PHE 84.A O no hydrogen 2.945 N/A CYS 88.A SG VAL 85.A O no hydrogen 3.467 N/A CYS 88.A SG GLY 90.A O no hydrogen 4.001 N/A THR 89.A N ILE 35.A O no hydrogen 2.726 N/A THR 89.A OG1 SER 29.A O no hydrogen 2.551 N/A THR 89.A OG1 ILE 35.A O no hydrogen 3.242 N/A GLY 90.A N ILE 35.A O no hydrogen 3.319 N/A ILE 91.A N SER 124.A O no hydrogen 2.931 N/A PHE 92.A N GLY 37.A O no hydrogen 2.827 N/A MET 93.A N ALA 126.A O no hydrogen 2.805 N/A THR 94.A N ILE 39.A O no hydrogen 3.029 N/A THR 94.A OG1 GLY 95.A O no hydrogen 2.969 N/A ASP 97.A N ALA 42.A O no hydrogen 2.789 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 2.777 N/A GLN 98.A NE2 ILE 140.A O no hydrogen 2.900 N/A ARG 100.A N ASP 97.A OD2 no hydrogen 2.890 N/A ARG 100.A NE SER 41.A O no hydrogen 3.017 N/A LEU 101.A N ASP 97.A O no hydrogen 3.042 N/A CYS 102.A N GLN 98.A O no hydrogen 3.013 N/A CYS 102.A SG GLN 98.A O no hydrogen 3.569 N/A CYS 102.A SG VAL 158.A O no hydrogen 3.737 N/A GLY 103.A N LEU 99.A O no hydrogen 2.901 N/A LEU 104.A N ARG 100.A O no hydrogen 3.053 N/A LEU 105.A N LEU 101.A O no hydrogen 2.960 N/A ALA 106.A N CYS 102.A O no hydrogen 2.857 N/A THR 108.A N LEU 105.A O no hydrogen 3.215 N/A THR 108.A OG1 LEU 105.A O no hydrogen 2.714 N/A LEU 110.A N GLY 76.A O no hydrogen 3.090 N/A MET 111.A N THR 108.A OG1 no hydrogen 3.143 N/A ASP 112.A N THR 108.A O no hydrogen 2.865 N/A ARG 113.A N PRO 109.A O no hydrogen 2.994 N/A ARG 113.A NE GLU 86.A OE1 no hydrogen 3.197 N/A ARG 113.A NE GLU 86.A OE2 no hydrogen 2.709 N/A ARG 113.A NH1 GLN 116.A OE1.A no hydrogen 2.739 N/A ARG 113.A NH2 GLU 86.A OE1 no hydrogen 3.017 N/A ILE 114.A N LEU 110.A O no hydrogen 3.018 N/A ARG 115.A N MET 111.A O no hydrogen 2.865 N/A ARG 115.A NH1 LEU 160.A O no hydrogen 2.953 N/A GLN 116.A N ASP 112.A O no hydrogen 2.913 N/A ARG 117.A N ARG 113.A O no hydrogen 2.846 N/A ARG 117.A NE GLU 122.A OE1 no hydrogen 2.891 N/A ARG 117.A NH1 GLU 122.A OE1 no hydrogen 3.118 N/A ARG 117.A NH2 VAL 85.A O no hydrogen 2.798 N/A ARG 117.A NH2 CYS 88.A O no hydrogen 2.934 N/A VAL 118.A N ILE 114.A O no hydrogen 2.907 N/A HIS 119.A N ARG 115.A O no hydrogen 2.884 N/A HIS 119.A NE2 ILE 162.A O no hydrogen 2.838 N/A ASN 120.A N GLN 116.A O no hydrogen 2.843 N/A ASN 120.A ND2 GLU 122.A OE2 no hydrogen 3.166 N/A GLY 121.A N VAL 118.A O no hydrogen 2.899 N/A GLU 122.A N ARG 117.A O no hydrogen 2.895 N/A SER 124.A N THR 89.A O no hydrogen 3.090 N/A SER 124.A OG ALA 5.A O no hydrogen 3.419 N/A SER 124.A OG ARG 28.A O no hydrogen 2.866 N/A LEU 125.A N ALA 5.A O no hydrogen 3.121 N/A ALA 126.A N ILE 91.A O no hydrogen 2.902 N/A GLY 127.A N LEU 7.A O no hydrogen 3.022 N/A THR 128.A N MET 93.A O no hydrogen 3.085 N/A THR 128.A OG1 GLU 13.A OE1 no hydrogen 2.763 N/A SER 129.A N ILE 9.A O no hydrogen 3.115 N/A SER 129.A OG GLN 170.A OE1 no hydrogen 3.550 N/A SER 129.A OG HIS 171.A NE2 no hydrogen 2.850 N/A GLY 131.A N THR 128.A O no hydrogen 2.914 N/A ALA 132.A N SER 129.A O no hydrogen 2.845 N/A ALA 133.A N SER 129.A O no hydrogen 3.010 N/A VAL 134.A N ALA 130.A O no hydrogen 3.303 N/A MET 135.A N ALA 132.A O no hydrogen 3.071 N/A MET 139.A N ALA 157.A O no hydrogen 2.881 N/A ALA 141.A N ASP 155.A O no hydrogen 2.712 N/A SER 144.A N LEU 153.A O no hydrogen 3.112 N/A SER 144.A OG.A SER 145.A O no hydrogen 3.481 N/A SER 145.A OG.B ARG 175.A O no hydrogen 2.818 N/A SER 145.A OG.B ASN 176.A O no hydrogen 2.830 N/A ASN 150.A N SER 183.A OG no hydrogen 3.049 N/A ASN 150.A ND2 GLU 147.A OE1 no hydrogen 3.144 N/A ASN 150.A ND2 TRP 148.A O no hydrogen 2.829 N/A ARG 151.A NH1 VAL 234.A O no hydrogen 3.181 N/A ARG 151.A NH2 VAL 234.A O no hydrogen 2.886 N/A ALA 152.A N ALA 236.A O no hydrogen 2.853 N/A LEU 153.A N ASN 150.A O no hydrogen 2.932 N/A VAL 154.A N ARG 151.A O no hydrogen 3.331 N/A ASP 155.A N GLY 142.A O no hydrogen 2.900 N/A ALA 157.A N MET 139.A O no hydrogen 2.886 N/A GLY 159.A N HIS 137.A O no hydrogen 2.778 N/A LEU 160.A N VAL 134.A O no hydrogen 2.821 N/A GLY 161.A N GLY 136.A O no hydrogen 2.987 N/A VAL 163.A N MET 135.A O no hydrogen 2.883 N/A GLU 165.A N GLU 165.A OE1.A no hydrogen 2.936 N/A GLU 165.A N GLU 165.A OE2.B no hydrogen 2.746 N/A ILE 166.A N VAL 163.A O no hydrogen 3.383 N/A VAL 167.A N LEU 192.A O no hydrogen 2.921 N/A ASP 169.A N LEU 194.A O no hydrogen 2.771 N/A GLN 170.A N ASP 169.A OD1 no hydrogen 2.861 N/A HIS 171.A N GLY 10.A O no hydrogen 2.821 N/A HIS 171.A ND1 GLU 198.A OE2 no hydrogen 2.739 N/A HIS 171.A NE2 SER 129.A OG no hydrogen 2.850 N/A PHE 172.A N ILE 196.A O no hydrogen 3.093 N/A HIS 173.A N ASP 197.A OD1 no hydrogen 2.884 N/A HIS 173.A ND1 ASP 197.A OD1 no hydrogen 2.976 N/A ARG 175.A N HIS 171.A O no hydrogen 2.931 N/A ASN 176.A N HIS 173.A O no hydrogen 3.133 N/A ARG 177.A N PHE 172.A O no hydrogen 2.949 N/A ARG 177.A NH1.A GLN 170.A O no hydrogen 2.900 N/A ARG 180.A NE ASP 169.A OD2 no hydrogen 2.757 N/A ARG 180.A NH1 GLY 143.A O no hydrogen 2.988 N/A ARG 180.A NH2 ASP 169.A OD1 no hydrogen 2.722 N/A LEU 181.A N ARG 177.A O no hydrogen 3.048 N/A LEU 182.A N MET 178.A O no hydrogen 2.885 N/A SER 183.A N ALA 179.A O no hydrogen 2.922 N/A SER 183.A OG ASN 150.A O no hydrogen 3.122 N/A SER 183.A OG ALA 179.A O no hydrogen 2.773 N/A ALA 184.A N ARG 180.A O no hydrogen 2.997 N/A ILE 185.A N LEU 181.A O no hydrogen 2.901 N/A SER 186.A N LEU 182.A O no hydrogen 3.017 N/A SER 186.A OG SER 183.A O no hydrogen 2.809 N/A HIS 188.A N ILE 185.A O no hydrogen 3.017 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.868 N/A LEU 191.A N HIS 188.A O no hydrogen 2.974 N/A LEU 192.A N GLU 165.A O no hydrogen 3.079 N/A GLY 193.A N VAL 221.A O no hydrogen 2.911 N/A LEU 194.A N VAL 167.A O no hydrogen 2.866 N/A GLY 195.A N SER 219.A O no hydrogen 2.820 N/A ILE 196.A N ASP 169.A O no hydrogen 2.917 N/A ASP 197.A N THR 217.A O no hydrogen 3.109 N/A GLU 198.A N ASN 174.A OD1 no hydrogen 2.949 N/A ASP 199.A N GLY 11.A O no hydrogen 2.802 N/A THR 200.A OG1 GLU 198.A O no hydrogen 2.904 N/A CYS 201.A N ILE 213.A O no hydrogen 2.767 N/A CYS 201.A SG ILE 8.A O no hydrogen 3.734 N/A ALA 202.A N ILE 8.A O no hydrogen 2.876 N/A MET 203.A N LYS 211.A O no hydrogen 2.811 N/A PHE 204.A N ILE 6.A O no hydrogen 2.756 N/A GLU 205.A N SER 209.A O no hydrogen 2.906 N/A ARG 206.A NH1 HIS 119.A O no hydrogen 3.044 N/A ARG 206.A NH2 HIS 119.A O no hydrogen 3.114 N/A GLY 208.A N GLU 205.A O no hydrogen 3.092 N/A SER 209.A N ASP 207.A OD1 no hydrogen 2.938 N/A SER 209.A OG ASP 207.A OD1 no hydrogen 2.730 N/A VAL 210.A N TYR 256.A O no hydrogen 2.817 N/A LYS 211.A N MET 203.A O no hydrogen 2.904 N/A LYS 211.A NZ GLY 253.A O no hydrogen 2.890 N/A VAL 212.A N GLU 254.A O no hydrogen 3.003 N/A ILE 213.A N CYS 201.A O no hydrogen 2.922 N/A GLY 214.A N HIS 252.A ND1 no hydrogen 2.989 N/A GLN 215.A N ASP 199.A O no hydrogen 2.812 N/A GLY 216.A N THR 200.A OG1 no hydrogen 2.866 N/A THR 217.A N ASP 197.A OD2 no hydrogen 2.879 N/A THR 217.A OG1 ASP 197.A OD2 no hydrogen 2.640 N/A VAL 218.A N LEU 250.A O no hydrogen 2.911 N/A SER 219.A N GLY 195.A O no hydrogen 2.846 N/A PHE 220.A N ASN 248.A O no hydrogen 2.761 N/A VAL 221.A N GLY 193.A O no hydrogen 2.823 N/A ASP 222.A N ARG 246.A O no hydrogen 2.830 N/A ARG 224.A N ASP 222.A OD1 no hydrogen 2.882 N/A ARG 224.A NE ASP 222.A OD1 no hydrogen 2.890 N/A ARG 224.A NE ASP 222.A OD2 no hydrogen 3.379 N/A ARG 224.A NH2 ASP 222.A OD2 no hydrogen 2.941 N/A MET 226.A N ALA 223.A O no hydrogen 3.020 N/A SER 227.A N HIS 243.A O no hydrogen 2.977 N/A THR 229.A OG1 SER 241.A O no hydrogen 2.734 N/A ASN 230.A ND2 PRO 239.A O no hydrogen 3.011 N/A ALA 231.A N THR 229.A OG1 no hydrogen 3.083 N/A LEU 233.A N ASN 230.A O no hydrogen 2.840 N/A ALA 238.A N GLY 235.A O no hydrogen 3.169 N/A LEU 240.A N PRO 149.A O no hydrogen 2.961 N/A SER 241.A N ASN 230.A OD1 no hydrogen 2.886 N/A HIS 243.A N TYR 228.A O no hydrogen 2.854 N/A ASN 244.A ND2 ASP 225.A O no hydrogen 2.919 N/A ARG 246.A N ASP 222.A O no hydrogen 2.929 N/A ASN 248.A N PHE 220.A O no hydrogen 3.007 N/A LEU 250.A N VAL 218.A O no hydrogen 2.880 N/A VAL 251.A N GLU 254.A OE1 no hydrogen 3.018 N/A GLY 253.A N VAL 212.A O no hydrogen 2.811 N/A GLU 254.A N VAL 251.A O no hydrogen 2.999 N/A VAL 255.A N PHE 264.A O no hydrogen 3.150 N/A TYR 256.A N VAL 210.A O no hydrogen 2.871 N/A HIS 257.A N ARG 262.A O no hydrogen 2.759 N/A GLN 258.A N GLY 208.A O no hydrogen 3.229 N/A GLN 258.A NE2 GLU 165.A OE2.A no hydrogen 2.823 N/A LYS 260.A N HIS 257.A ND1.B no hydrogen 3.297 N/A ARG 262.A N HIS 257.A O no hydrogen 3.352 N/A ARG 262.A NH1 GLN 261.A O no hydrogen 2.896 N/A PHE 264.A N VAL 255.A O no hydrogen 2.759 N/A