Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a6f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 8.A O no hydrogen 2.813 N/A SER 1.A N GLU 13.A OE1 no hydrogen 2.696 N/A SER 1.A N GLU 13.A OE2 no hydrogen 3.525 N/A LYS 2.A NZ GLU 13.A OE2 no hydrogen 2.743 N/A SER 3.A OG GLU 8.A OE1 no hydrogen 2.741 N/A PHE 5.A N SER 3.A OG no hydrogen 3.075 N/A VAL 6.A N VAL 63.A O no hydrogen 2.850 N/A GLU 8.A N PHE 5.A O no hydrogen 2.939 N/A LEU 9.A N VAL 6.A O no hydrogen 2.983 N/A THR 10.A N GLU 13.A OE1 no hydrogen 2.803 N/A LYS 12.A NZ GLU 15.A OE1 no hydrogen 2.732 N/A GLU 13.A N THR 10.A OG1 no hydrogen 3.186 N/A TYR 14.A N THR 10.A O no hydrogen 3.192 N/A TYR 14.A OH HIS 108.A ND1 no hydrogen 2.942 N/A GLU 15.A N TRP 11.A O no hydrogen 2.826 N/A ALA 16.A N LYS 12.A O no hydrogen 2.866 N/A ARG 17.A N GLU 13.A O no hydrogen 3.174 N/A ARG 17.A NH2 GLY 60.A O no hydrogen 2.612 N/A VAL 18.A N TYR 14.A O no hydrogen 3.003 N/A ALA 19.A N GLU 15.A O no hydrogen 2.869 N/A ALA 20.A N ARG 17.A O no hydrogen 3.009 N/A GLY 21.A N VAL 18.A O no hydrogen 3.210 N/A LEU 25.A N ARG 112.A O no hydrogen 2.956 N/A MET 26.A N LEU 62.A O no hydrogen 2.768 N/A LEU 27.A N VAL 114.A O no hydrogen 2.761 N/A VAL 29.A N MET 116.A O no hydrogen 2.899 N/A GLY 30.A N LEU 67.A O no hydrogen 2.970 N/A GLU 33.A N MET 41.A O no hydrogen 2.977 N/A GLN 34.A N THR 86.A OG1 no hydrogen 3.008 N/A GLN 34.A NE2 GLY 78.A O no hydrogen 2.943 N/A GLN 34.A NE2 GLY 224.A O no hydrogen 3.130 N/A HIS 35.A ND1 GLU 33.A O no hydrogen 2.852 N/A GLY 36.A N GLN 34.A OE1 no hydrogen 2.985 N/A HIS 38.A NE2 THR 183.A OG1 no hydrogen 2.910 N/A CYS 40.A SG ASN 42.A OD1 no hydrogen 3.237 N/A VAL 45.A N ASN 42.A O no hydrogen 2.905 N/A LEU 46.A N ASN 42.A O no hydrogen 2.985 N/A LEU 47.A N VAL 43.A O no hydrogen 2.977 N/A THR 49.A N VAL 45.A O no hydrogen 3.256 N/A THR 49.A OG1 VAL 45.A O no hydrogen 2.630 N/A ALA 50.A N LEU 46.A O no hydrogen 2.999 N/A VAL 51.A N LEU 47.A O no hydrogen 3.074 N/A CYS 52.A N PRO 48.A O no hydrogen 2.926 N/A CYS 52.A SG PRO 48.A O no hydrogen 3.258 N/A LYS 53.A N THR 49.A O no hydrogen 2.887 N/A LYS 53.A NZ GLU 57.A OE2 no hydrogen 2.727 N/A ARG 54.A N ALA 50.A O no hydrogen 3.302 N/A ARG 54.A NH1 ALA 50.A O no hydrogen 2.966 N/A VAL 55.A N VAL 51.A O no hydrogen 2.925 N/A ALA 56.A N CYS 52.A O no hydrogen 2.796 N/A GLU 57.A N LYS 53.A O no hydrogen 3.040 N/A ARG 58.A N ARG 54.A O no hydrogen 3.131 N/A ARG 58.A N VAL 55.A O no hydrogen 2.857 N/A ARG 58.A NH1 GLU 242.A OE1 no hydrogen 2.836 N/A ARG 58.A NH1 GLU 242.A OE2 no hydrogen 3.002 N/A ARG 58.A NH2 GLU 242.A OE2 no hydrogen 2.828 N/A ILE 59.A N VAL 55.A O no hydrogen 2.965 N/A GLY 60.A N ALA 56.A O no hydrogen 2.799 N/A ALA 61.A N ALA 56.A O no hydrogen 3.039 N/A LEU 62.A N VAL 24.A O no hydrogen 2.946 N/A VAL 63.A N VAL 4.A O no hydrogen 2.613 N/A MET 64.A N MET 26.A O no hydrogen 2.689 N/A LEU 67.A N PRO 28.A O no hydrogen 2.979 N/A TYR 71.A N ASN 122.A OD1 no hydrogen 2.806 N/A LYS 72.A NZ ASP 90.A OD1 no hydrogen 2.878 N/A SER 73.A N ASN 81.A OD1 no hydrogen 3.015 N/A SER 73.A OG GLU 33.A OE2 no hydrogen 2.592 N/A GLN 74.A N GLU 121.A OE2 no hydrogen 2.860 N/A GLN 74.A NE2 LYS 72.A O no hydrogen 2.911 N/A GLN 75.A NE2 ASP 216.A O no hydrogen 2.867 N/A GLN 75.A NE2 THR 220.A OG1 no hydrogen 2.783 N/A LYS 76.A NZ PRO 208.A O no hydrogen 2.853 N/A LYS 76.A NZ TYR 210.A O no hydrogen 3.217 N/A SER 77.A N GLN 74.A O no hydrogen 3.061 N/A SER 77.A OG GLN 74.A O no hydrogen 3.509 N/A SER 77.A OG GLU 121.A OE2 no hydrogen 2.629 N/A GLY 78.A N GLN 74.A O no hydrogen 2.689 N/A GLY 79.A N GLN 75.A O no hydrogen 3.227 N/A GLY 80.A N SER 73.A OG no hydrogen 3.349 N/A THR 87.A N LEU 32.A O no hydrogen 3.000 N/A THR 87.A OG1 GLY 85.A O no hydrogen 2.930 N/A SER 88.A OG ASN 81.A OD1 no hydrogen 2.555 N/A LEU 89.A N GLY 70.A O no hydrogen 2.812 N/A THR 93.A N ASP 90.A O no hydrogen 3.142 N/A LEU 94.A N ASP 90.A O no hydrogen 3.372 N/A THR 95.A N GLY 91.A O no hydrogen 2.951 N/A THR 95.A OG1 GLY 91.A O no hydrogen 3.192 N/A THR 95.A OG1 PHE 125.A O no hydrogen 3.024 N/A GLY 96.A N ALA 92.A O no hydrogen 2.925 N/A THR 97.A N THR 93.A O no hydrogen 2.956 N/A THR 97.A OG1 THR 93.A O no hydrogen 2.950 N/A VAL 98.A N LEU 94.A O no hydrogen 3.102 N/A GLN 99.A N THR 95.A O no hydrogen 2.935 N/A ASP 100.A N GLY 96.A O no hydrogen 2.938 N/A ILE 101.A N THR 97.A O no hydrogen 3.106 N/A ILE 102.A N VAL 98.A O no hydrogen 3.153 N/A ARG 103.A N GLN 99.A O no hydrogen 3.002 N/A ARG 103.A NE GLU 136.A OE1 no hydrogen 2.849 N/A ARG 103.A NH1 GLU 136.A OE1 no hydrogen 3.421 N/A ARG 103.A NH1 GLU 136.A OE2 no hydrogen 2.845 N/A ARG 103.A NH2 ASP 100.A OD1 no hydrogen 2.854 N/A GLU 104.A N ASP 100.A O no hydrogen 2.997 N/A LEU 105.A N ILE 101.A O no hydrogen 2.834 N/A ALA 106.A N ILE 102.A O no hydrogen 3.009 N/A ARG 107.A N ARG 103.A O no hydrogen 3.153 N/A ARG 107.A NE GLU 104.A OE2 no hydrogen 2.883 N/A ARG 107.A NH2 GLU 104.A OE1 no hydrogen 2.894 N/A HIS 108.A N GLU 104.A O no hydrogen 2.954 N/A HIS 108.A ND1 TYR 14.A OH no hydrogen 2.942 N/A GLY 109.A N LEU 105.A O no hydrogen 3.125 N/A GLY 109.A N ALA 106.A O no hydrogen 2.965 N/A ALA 110.A N LEU 105.A O no hydrogen 3.064 N/A ARG 111.A NE ASP 144.A OD1 no hydrogen 3.005 N/A ARG 111.A NH1 ALA 106.A O no hydrogen 2.937 N/A ARG 111.A NH1 ALA 110.A O no hydrogen 2.908 N/A ARG 112.A NH1 PRO 257.A O no hydrogen 2.593 N/A ARG 112.A NH2 ASP 22.A O no hydrogen 3.378 N/A ARG 112.A NH2 PRO 257.A O no hydrogen 3.136 N/A LEU 113.A N LYS 146.A O no hydrogen 3.066 N/A VAL 114.A N LEU 25.A O no hydrogen 2.738 N/A LEU 115.A N VAL 148.A O no hydrogen 2.835 N/A MET 116.A N LEU 27.A O no hydrogen 2.971 N/A ASN 117.A N LEU 150.A O no hydrogen 2.785 N/A ASN 117.A ND2 HIS 119.A O no hydrogen 2.857 N/A ASN 117.A ND2 SER 151.A OG no hydrogen 3.319 N/A GLY 118.A N VAL 29.A O no hydrogen 2.746 N/A HIS 119.A N ASN 117.A OD1 no hydrogen 3.189 N/A HIS 119.A ND1 ASP 44.A OD2 no hydrogen 3.131 N/A HIS 119.A NE2 TYR 71.A O no hydrogen 2.923 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.502 N/A ASN 122.A N HIS 119.A O no hydrogen 2.803 N/A ASN 122.A ND2 VAL 29.A O no hydrogen 3.657 N/A ASN 122.A ND2 GLY 30.A O no hydrogen 2.896 N/A ASN 122.A ND2 ASN 117.A OD1 no hydrogen 3.075 N/A SER 123.A N TYR 120.A O no hydrogen 3.447 N/A SER 123.A OG TYR 120.A O no hydrogen 3.336 N/A PHE 125.A N ASN 122.A O no hydrogen 2.998 N/A ILE 126.A N ASN 122.A O no hydrogen 3.037 N/A VAL 127.A N SER 123.A O no hydrogen 2.980 N/A GLU 128.A N MET 124.A O no hydrogen 3.078 N/A GLY 129.A N PHE 125.A O no hydrogen 3.156 N/A ILE 130.A N ILE 126.A O no hydrogen 3.029 N/A ASP 131.A N VAL 127.A O no hydrogen 3.028 N/A LEU 132.A N GLU 128.A O no hydrogen 2.936 N/A ALA 133.A N GLY 129.A O no hydrogen 3.060 N/A LEU 134.A N ILE 130.A O no hydrogen 2.881 N/A ARG 135.A N ASP 131.A O no hydrogen 3.044 N/A GLU 136.A N LEU 132.A O no hydrogen 3.253 N/A LEU 137.A N ALA 133.A O no hydrogen 2.895 N/A ARG 138.A N LEU 134.A O no hydrogen 3.015 N/A TYR 139.A N ARG 135.A O no hydrogen 3.190 N/A ALA 140.A N GLU 136.A O no hydrogen 2.950 N/A GLY 141.A N ARG 138.A O no hydrogen 2.960 N/A ILE 142.A N LEU 137.A O no hydrogen 2.772 N/A LYS 146.A N ARG 111.A O no hydrogen 2.808 N/A LYS 146.A NZ GLU 255.A O no hydrogen 2.833 N/A LYS 146.A NZ GLU 255.A OE1 no hydrogen 2.756 N/A VAL 148.A N LEU 113.A O no hydrogen 2.891 N/A LEU 150.A N LEU 115.A O no hydrogen 3.053 N/A ASP 154.A N SER 151.A O no hydrogen 2.923 N/A PHE 155.A N TYR 152.A O no hydrogen 3.111 N/A VAL 156.A N TRP 153.A O no hydrogen 3.115 N/A VAL 161.A N ASP 158.A OD2 no hydrogen 3.172 N/A ILE 162.A N ASP 158.A O no hydrogen 2.800 N/A GLN 163.A N PRO 159.A O no hydrogen 2.845 N/A GLN 164.A N ALA 160.A O no hydrogen 3.195 N/A LEU 165.A N VAL 161.A O no hydrogen 2.852 N/A TYR 166.A N ILE 162.A O no hydrogen 2.734 N/A GLY 169.A N TYR 166.A O no hydrogen 3.020 N/A GLU 176.A N PHE 173.A O no hydrogen 3.044 N/A HIS 177.A N ILE 175.A O no hydrogen 3.003 N/A HIS 177.A NE2 GLN 34.A O no hydrogen 3.058 N/A GLY 178.A N GLU 182.A OE2 no hydrogen 3.106 N/A PHE 181.A N GLU 176.A OE1 no hydrogen 2.869 N/A THR 183.A N GLY 179.A O no hydrogen 3.020 N/A THR 183.A OG1 HIS 38.A NE2 no hydrogen 2.910 N/A THR 183.A OG1 GLY 178.A O no hydrogen 3.407 N/A THR 183.A OG1 GLY 179.A O no hydrogen 2.666 N/A SER 184.A N VAL 180.A O no hydrogen 2.919 N/A SER 184.A OG VAL 180.A O no hydrogen 2.747 N/A LEU 185.A N PHE 181.A O no hydrogen 3.338 N/A MET 186.A N GLU 182.A O no hydrogen 2.994 N/A LEU 187.A N THR 183.A O no hydrogen 2.904 N/A ALA 188.A N SER 184.A O no hydrogen 3.130 N/A ALA 188.A N LEU 185.A O no hydrogen 3.199 N/A LEU 189.A N MET 186.A O no hydrogen 3.252 N/A TYR 190.A N MET 186.A O no hydrogen 2.600 N/A LEU 193.A N TYR 190.A O no hydrogen 2.795 N/A VAL 194.A N PRO 191.A O no hydrogen 3.020 N/A ASP 195.A N HIS 38.A O no hydrogen 2.950 N/A ASP 197.A N ASP 195.A OD1 no hydrogen 3.074 N/A ARG 198.A N ASP 195.A O no hydrogen 2.870 N/A ARG 198.A NE ASP 195.A OD2 no hydrogen 3.009 N/A VAL 199.A N LEU 196.A O no hydrogen 3.018 N/A HIS 202.A N VAL 200.A O no hydrogen 2.713 N/A HIS 202.A ND1 PRO 203.A O no hydrogen 2.840 N/A HIS 202.A NE2 THR 225.A OG1 no hydrogen 2.702 N/A ALA 205.A N LEU 226.A O no hydrogen 2.790 N/A ALA 218.A N ASP 216.A OD1 no hydrogen 3.107 N/A ARG 219.A N ASP 216.A O no hydrogen 3.018 N/A ARG 219.A NE ASP 216.A OD2 no hydrogen 3.013 N/A THR 220.A N PRO 217.A O no hydrogen 3.119 N/A THR 220.A OG1 GLY 79.A O no hydrogen 2.787 N/A GLY 224.A N PRO 221.A O no hydrogen 2.970 N/A THR 225.A OG1 HIS 202.A NE2 no hydrogen 2.702 N/A LEU 226.A N HIS 177.A O no hydrogen 3.394 N/A SER 227.A OG ILE 175.A O no hydrogen 2.844 N/A SER 228.A OG ASP 201.A OD1 no hydrogen 2.708 N/A LYS 230.A N SER 228.A OG no hydrogen 3.081 N/A ALA 232.A N ALA 229.A O no hydrogen 2.930 N/A SER 233.A N SER 184.A OG no hydrogen 3.177 N/A ARG 234.A NH2 GLU 238.A OE2 no hydrogen 2.491 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 2.521 N/A LYS 236.A N SER 233.A OG no hydrogen 3.234 N/A LYS 236.A NZ LEU 165.A O no hydrogen 2.994 N/A LYS 236.A NZ THR 231.A O no hydrogen 2.845 N/A GLY 237.A N SER 233.A O no hydrogen 3.075 N/A GLU 238.A N ARG 234.A O no hydrogen 2.927 N/A LEU 239.A N GLU 235.A O no hydrogen 3.203 N/A ILE 240.A N LYS 236.A O no hydrogen 2.959 N/A LEU 241.A N GLY 237.A O no hydrogen 2.850 N/A GLU 242.A N GLU 238.A O no hydrogen 3.113 N/A VAL 243.A N LEU 239.A O no hydrogen 3.028 N/A CYS 244.A N ILE 240.A O no hydrogen 2.933 N/A CYS 244.A SG TYR 152.A O no hydrogen 3.498 N/A CYS 244.A SG ILE 240.A O no hydrogen 3.290 N/A VAL 245.A N LEU 241.A O no hydrogen 2.820 N/A GLN 246.A N GLU 242.A O no hydrogen 2.938 N/A GLY 247.A N VAL 243.A O no hydrogen 2.980 N/A ILE 248.A N CYS 244.A O no hydrogen 2.803 N/A ALA 249.A N VAL 245.A O no hydrogen 2.939 N/A ASP 250.A N GLN 246.A O no hydrogen 3.136 N/A ALA 251.A N GLY 247.A O no hydrogen 3.102 N/A ILE 252.A N ILE 248.A O no hydrogen 2.988 N/A ARG 253.A N ALA 249.A O no hydrogen 3.005 N/A GLU 254.A N ASP 250.A O no hydrogen 3.042 N/A GLU 255.A N ALA 251.A O no hydrogen 2.947 N/A PHE 256.A N ILE 252.A O no hydrogen 2.637 N/A