Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ASN 8.A O no hydrogen 3.261 N/A GLY 4.A N ASN 8.A O no hydrogen 2.938 N/A SER 5.A N ASP 3.A OD1 no hydrogen 3.135 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.535 N/A ASN 8.A N SER 5.A O no hydrogen 3.138 N/A ASN 8.A N SER 5.A OG no hydrogen 3.243 N/A ALA 10.A N TRP 29.A O no hydrogen 3.334 N/A ARG 11.A NE ASP 15.A OD2 no hydrogen 2.885 N/A ARG 11.A NH2 ASP 15.A OD1 no hydrogen 2.603 N/A CYS 13.A N THR 51.A OG1 no hydrogen 2.936 N/A CYS 13.A SG PHE 44.A O no hydrogen 3.959 N/A CYS 13.A SG THR 51.A OG1 no hydrogen 3.501 N/A ARG 14.A NH1 ARG 14.A O no hydrogen 3.103 N/A ASP 15.A N ASN 12.A OD1 no hydrogen 2.881 N/A LEU 16.A N ASN 12.A O no hydrogen 3.178 N/A LYS 17.A N CYS 13.A O no hydrogen 2.834 N/A PHE 18.A N ARG 14.A O no hydrogen 3.045 N/A CYS 19.A N ASP 15.A O no hydrogen 2.904 N/A CYS 19.A SG SER 1.A OG no hydrogen 3.481 N/A HIS 20.A N LEU 16.A O no hydrogen 2.875 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.712 N/A LEU 23.A N HIS 20.A O no hydrogen 3.046 N/A GLY 26.A N CYS 45.A O no hydrogen 3.042 N/A TYR 28.A N VAL 43.A O no hydrogen 2.940 N/A TYR 28.A OH LYS 24.A O no hydrogen 2.638 N/A TRP 29.A N GLY 4.A O no hydrogen 2.705 N/A VAL 30.A N ILE 41.A O no hydrogen 2.859 N/A ASP 31.A N ALA 10.A O no hydrogen 2.752 N/A ASN 33.A N GLN 98.A OE1 no hydrogen 2.854 N/A ASN 33.A ND2 ASP 39.A OD2 no hydrogen 2.942 N/A GLN 34.A N ASP 31.A O no hydrogen 2.920 N/A GLN 34.A NE2 ASP 31.A O no hydrogen 2.896 N/A ILE 41.A N VAL 30.A O no hydrogen 2.792 N/A LYS 42.A N ASN 87.A OD1 no hydrogen 2.896 N/A VAL 43.A N TYR 28.A O no hydrogen 2.776 N/A PHE 44.A N CYS 52.A O no hydrogen 3.066 N/A CYS 45.A N GLY 26.A O no hydrogen 2.824 N/A ASN 46.A N GLU 50.A O no hydrogen 3.146 N/A THR 48.A N ASN 46.A OD1 no hydrogen 2.971 N/A THR 48.A OG1 GLU 50.A OE1 no hydrogen 2.603 N/A GLY 49.A N ASN 46.A O no hydrogen 2.712 N/A GLU 50.A N THR 48.A OG1 no hydrogen 3.261 N/A THR 51.A N PHE 208.A O no hydrogen 2.691 N/A CYS 52.A N PHE 44.A O no hydrogen 2.866 N/A ILE 53.A N VAL 206.A O no hydrogen 2.846 N/A ASN 56.A N SER 84.A O no hydrogen 2.673 N/A VAL 60.A N VAL 201.A O no hydrogen 2.708 N/A LYS 63.A N PHE 199.A O no hydrogen 3.089 N/A TRP 65.A NE1 PRO 61.A O no hydrogen 2.853 N/A ASP 68.A N GLY 193.A O no hydrogen 2.772 N/A LYS 69.A NZ ILE 192.A O no hydrogen 3.270 N/A LYS 69.A NZ GLN 197.A OE1 no hydrogen 2.985 N/A HIS 71.A ND1 ALA 188.A O no hydrogen 3.330 N/A VAL 72.A N PRO 189.A O no hydrogen 3.058 N/A PHE 74.A N ILE 187.A O no hydrogen 2.903 N/A GLY 75.A N ASP 186.A OD1 no hydrogen 2.749 N/A GLU 76.A N ASP 186.A OD2 no hydrogen 3.195 N/A PHE 83.A N VAL 185.A O no hydrogen 2.885 N/A SER 84.A OG ASN 56.A O no hydrogen 3.446 N/A TYR 85.A OH ILE 184.A O no hydrogen 2.591 N/A ASN 87.A ND2 GLU 89.A OE2 no hydrogen 3.099 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.569 N/A LEU 90.A N ASN 87.A O no hydrogen 3.163 N/A LEU 95.A N PRO 91.A O no hydrogen 3.200 N/A ASP 96.A N GLU 92.A O no hydrogen 2.955 N/A VAL 97.A N ASP 93.A O no hydrogen 3.075 N/A GLN 98.A N VAL 94.A O no hydrogen 2.991 N/A GLN 98.A NE2 ASP 31.A OD1 no hydrogen 2.716 N/A GLN 98.A NE2 ASP 39.A O no hydrogen 2.871 N/A LEU 99.A N LEU 95.A O no hydrogen 2.886 N/A ALA 100.A N ASP 96.A O no hydrogen 2.803 N/A PHE 101.A N VAL 97.A O no hydrogen 3.041 N/A LEU 102.A N GLN 98.A O no hydrogen 3.359 N/A ARG 103.A N LEU 99.A O no hydrogen 2.748 N/A ARG 103.A NE VAL 180.A O no hydrogen 3.400 N/A ARG 103.A NE LEU 182.A O no hydrogen 2.922 N/A ARG 103.A NH2 VAL 180.A O no hydrogen 2.816 N/A LEU 104.A N ALA 100.A O no hydrogen 2.756 N/A LEU 105.A N PHE 101.A O no hydrogen 3.193 N/A SER 106.A N LEU 102.A O no hydrogen 3.136 N/A SER 106.A OG LEU 102.A O no hydrogen 2.664 N/A SER 107.A N LEU 209.A OXT no hydrogen 2.845 N/A SER 107.A OG LEU 209.A OXT no hydrogen 2.763 N/A ALA 109.A N THR 176.A O no hydrogen 2.968 N/A SER 110.A N CYS 207.A O no hydrogen 2.909 N/A GLN 111.A N TYR 174.A O no hydrogen 3.059 N/A GLN 111.A NE2 TYR 85.A OH no hydrogen 2.769 N/A GLN 111.A NE2 GLY 204.A O no hydrogen 2.793 N/A ILE 113.A N PHE 172.A O no hydrogen 2.881 N/A THR 114.A N ASP 202.A O no hydrogen 2.885 N/A TYR 115.A N THR 170.A O no hydrogen 2.885 N/A TYR 115.A OH SER 120.A OG no hydrogen 2.730 N/A HIS 116.A N GLY 200.A O no hydrogen 2.776 N/A HIS 116.A NE2 ASP 202.A OD2 no hydrogen 2.647 N/A CYS 117.A N SER 168.A O no hydrogen 2.709 N/A LYS 118.A N GLU 198.A O no hydrogen 3.004 N/A LYS 118.A NZ GLU 198.A OE2 no hydrogen 3.485 N/A SER 120.A OG TYR 115.A OH no hydrogen 2.730 N/A SER 120.A OG ASP 191.A O no hydrogen 2.542 N/A ILE 121.A N ASP 191.A OD2 no hydrogen 2.813 N/A GLN 125.A N.A THR 161.A O no hydrogen 3.050 N/A GLN 125.A N.B THR 161.A O no hydrogen 3.070 N/A SER 127.A N ASP 124.A OD1 no hydrogen 3.255 N/A GLY 128.A N ASP 124.A O no hydrogen 2.749 N/A ASN 129.A N SER 127.A OG no hydrogen 3.199 N/A LYS 131.A N ASN 129.A OD1 no hydrogen 3.136 N/A LYS 132.A NZ ASP 124.A OD2 no hydrogen 2.980 N/A ALA 133.A N VAL 130.A O no hydrogen 3.088 N/A LEU 134.A N ALA 122.A O no hydrogen 2.968 N/A LYS 135.A N ALA 188.A O no hydrogen 3.044 N/A LYS 135.A NZ GLU 142.A OE1 no hydrogen 3.206 N/A LYS 135.A NZ GLU 142.A OE2 no hydrogen 3.260 N/A LEU 136.A N PHE 143.A O no hydrogen 2.934 N/A SER 138.A N ARG 181.A O no hydrogen 2.801 N/A SER 138.A OG PRO 183.A O no hydrogen 2.679 N/A PHE 143.A N LEU 136.A O no hydrogen 2.834 N/A LYS 144.A N PHE 151.A O no hydrogen 3.103 N/A LYS 150.A N ASN 148.A OD1 no hydrogen 2.840 N/A PHE 151.A N ASN 148.A O no hydrogen 2.925 N/A THR 152.A OG1 SER 149.A O no hydrogen 3.430 N/A TYR 153.A N LYS 144.A O no hydrogen 3.128 N/A TYR 153.A OH LEU 134.A O no hydrogen 2.860 N/A THR 154.A N GLU 173.A O no hydrogen 2.775 N/A LEU 156.A N VAL 171.A O no hydrogen 2.876 N/A GLY 159.A N LYS 169.A O no hydrogen 3.064 N/A CYS 160.A N ASP 158.A OD1 no hydrogen 3.378 N/A CYS 160.A SG TYR 115.A O no hydrogen 3.938 N/A CYS 160.A SG THR 170.A OG1 no hydrogen 3.147 N/A THR 161.A OG1 GLN 125.A OE1.A no hydrogen 3.080 N/A HIS 163.A NE2 ASP 191.A OD2 no hydrogen 2.573 N/A GLU 166.A N THR 164.A OG1 no hydrogen 3.109 N/A SER 168.A N CYS 117.A O no hydrogen 2.743 N/A SER 168.A OG GLY 159.A O no hydrogen 2.986 N/A THR 170.A N TYR 115.A O no hydrogen 2.935 N/A THR 170.A OG1 ASP 158.A OD1 no hydrogen 2.611 N/A VAL 171.A N GLU 157.A O no hydrogen 2.973 N/A PHE 172.A N ILE 113.A O no hydrogen 2.774 N/A GLU 173.A N THR 154.A O no hydrogen 2.861 N/A TYR 174.A N GLN 111.A O no hydrogen 3.002 N/A TYR 174.A OH LYS 150.A O no hydrogen 2.570 N/A ARG 175.A NE GLU 173.A OE1 no hydrogen 3.433 N/A ARG 175.A NH2 GLU 173.A OE2 no hydrogen 2.755 N/A THR 176.A N ALA 109.A O no hydrogen 3.017 N/A LYS 178.A N THR 176.A OG1 no hydrogen 2.843 N/A ARG 181.A N LYS 178.A O no hydrogen 3.041 N/A ARG 181.A NH1 TYR 174.A OH no hydrogen 3.283 N/A LEU 182.A N ALA 179.A O no hydrogen 3.094 N/A ILE 184.A N GLN 111.A OE1 no hydrogen 2.884 N/A ILE 187.A N ASP 186.A OD1 no hydrogen 2.779 N/A ALA 188.A N LYS 135.A O no hydrogen 2.867 N/A ILE 192.A N TYR 190.A O no hydrogen 2.823 N/A GLY 194.A N GLN 197.A OE1 no hydrogen 2.739 N/A ASP 196.A N ASP 196.A OD1 no hydrogen 2.438 N/A GLN 197.A N GLY 194.A O no hydrogen 3.264 N/A GLN 197.A NE2 ASN 119.A O no hydrogen 3.055 N/A GLN 197.A NE2 ASP 191.A OD1 no hydrogen 3.129 N/A GLU 198.A N LYS 118.A O no hydrogen 3.000 N/A PHE 199.A N LYS 63.A O no hydrogen 3.144 N/A GLY 200.A N HIS 116.A O no hydrogen 2.927 N/A VAL 201.A N VAL 60.A O no hydrogen 2.883 N/A ASP 202.A N THR 114.A O no hydrogen 2.882 N/A VAL 203.A N LEU 58.A O no hydrogen 2.984 N/A GLY 204.A N GLN 112.A O no hydrogen 2.823 N/A VAL 206.A N ILE 53.A O no hydrogen 2.976 N/A CYS 207.A N SER 110.A O no hydrogen 2.807 N/A CYS 207.A SG PRO 205.A O no hydrogen 3.946 N/A PHE 208.A N THR 51.A O no hydrogen 2.832 N/A LEU 209.A N ARG 108.A O no hydrogen 2.970 N/A