Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASN 46.A OD1 no hydrogen 2.953 N/A THR 3.A N.A LYS 44.A O no hydrogen 2.987 N/A THR 3.A N.B LYS 44.A O no hydrogen 2.994 N/A LEU 4.A N.A ILE 248.A O no hydrogen 2.953 N/A LEU 4.A N.B ILE 248.A O no hydrogen 2.927 N/A THR 5.A N VAL 42.A O.A no hydrogen 2.844 N/A THR 5.A N VAL 42.A O.B no hydrogen 2.915 N/A LEU 6.A N MET 246.A O no hydrogen 2.894 N/A THR 7.A N SER 40.A O no hydrogen 2.959 N/A THR 7.A OG1 SER 40.A OG no hydrogen 2.804 N/A GLY 8.A N SER 40.A O no hydrogen 3.244 N/A THR 9.A OG1 ASP 244.A OD1 no hydrogen 2.736 N/A GLY 10.A N GLN 37.A O.A no hydrogen 2.778 N/A GLY 10.A N GLN 37.A O.B no hydrogen 2.826 N/A GLY 14.A N GLY 11.A O no hydrogen 3.089 N/A VAL 15.A N ARG 36.A O no hydrogen 3.320 N/A CYS 20.A N ALA 17.A O no hydrogen 3.009 N/A CYS 20.A SG HIS 224.A ND1 no hydrogen 3.505 N/A CYS 22.A SG HIS 224.A ND1 no hydrogen 3.776 N/A CYS 25.A SG HIS 224.A ND1 no hydrogen 3.444 N/A ALA 26.A N CYS 22.A O no hydrogen 2.857 N/A ARG 27.A N ALA 23.A O no hydrogen 3.172 N/A ALA 28.A N ALA 24.A O no hydrogen 2.992 N/A ARG 29.A N CYS 25.A O no hydrogen 2.992 N/A ARG 29.A NH1 CYS 20.A O no hydrogen 2.659 N/A ARG 29.A NH2 CYS 20.A O no hydrogen 2.913 N/A ARG 30.A N ALA 26.A O no hydrogen 3.113 N/A SER 31.A N.A ARG 27.A O no hydrogen 2.858 N/A SER 31.A N.B ARG 27.A O no hydrogen 2.863 N/A SER 31.A OG.B GLN 33.A OE1 no hydrogen 2.882 N/A GLN 33.A N GLN 33.A OE1 no hydrogen 2.761 N/A TYR 34.A N SER 31.A O.A no hydrogen 3.032 N/A TYR 34.A N SER 31.A O.B no hydrogen 3.012 N/A ARG 35.A N PRO 32.A O no hydrogen 2.967 N/A ARG 36.A N VAL 15.A O no hydrogen 2.854 N/A ARG 36.A NE ASP 227.A OD2 no hydrogen 2.809 N/A ARG 36.A NH1 THR 9.A OG1 no hydrogen 2.840 N/A ARG 36.A NH1 GLY 242.A O no hydrogen 2.854 N/A ARG 36.A NH2 ASP 227.A OD1 no hydrogen 2.836 N/A GLN 37.A N.A ASP 244.A OD2 no hydrogen 2.785 N/A GLN 37.A N.B ASP 244.A OD2 no hydrogen 2.798 N/A GLN 37.A NE2.A THR 7.A O no hydrogen 3.292 N/A GLN 37.A NE2.A ASP 244.A OD2 no hydrogen 3.207 N/A GLN 37.A NE2.B HIS 57.A NE2.B no hydrogen 3.215 N/A CYS 39.A N GLY 10.A O no hydrogen 3.024 N/A SER 40.A N GLY 8.A O no hydrogen 3.085 N/A SER 40.A OG THR 7.A OG1 no hydrogen 2.804 N/A SER 40.A OG PRO 38.A O no hydrogen 2.944 N/A GLY 41.A N ILE 52.A O no hydrogen 2.929 N/A VAL 42.A N.A THR 5.A O no hydrogen 2.820 N/A VAL 42.A N.B THR 5.A O no hydrogen 2.836 N/A VAL 43.A N THR 50.A O no hydrogen 2.829 N/A LYS 44.A N THR 3.A O.A no hydrogen 2.896 N/A LYS 44.A N THR 3.A O.B no hydrogen 2.870 N/A PHE 45.A N ALA 48.A O no hydrogen 2.880 N/A ASN 46.A N SER 1.A O no hydrogen 2.958 N/A ALA 48.A N PHE 45.A O no hydrogen 2.949 N/A ILE 49.A N GLN 69.A OE1 no hydrogen 2.835 N/A THR 50.A N VAL 43.A O no hydrogen 2.863 N/A LEU 51.A N GLN 70.A O no hydrogen 2.980 N/A ILE 52.A N GLY 41.A O no hydrogen 2.798 N/A ASP 53.A N LEU 72.A O no hydrogen 2.896 N/A ALA 54.A N HIS 80.A O no hydrogen 2.766 N/A ASP 61.A N ASP 58.A O no hydrogen 3.056 N/A ARG 62.A N ASP 58.A O no hydrogen 3.139 N/A ARG 62.A N LEU 59.A O no hydrogen 3.093 N/A ARG 62.A NE ASP 58.A OD1 no hydrogen 3.057 N/A ARG 62.A NE ASP 58.A OD2 no hydrogen 3.557 N/A TRP 63.A N LEU 59.A O no hydrogen 2.986 N/A SER 64.A N SER 67.A OG no hydrogen 3.047 N/A SER 67.A N SER 64.A O no hydrogen 3.011 N/A SER 67.A OG SER 64.A O no hydrogen 2.694 N/A GLN 69.A N ILE 49.A O no hydrogen 2.830 N/A GLN 70.A NE2 THR 50.A OG1 no hydrogen 2.819 N/A GLN 70.A NE2 GLN 131.A OE1 no hydrogen 2.949 N/A PHE 71.A N PRO 96.A O no hydrogen 3.020 N/A LEU 72.A N LEU 51.A O no hydrogen 2.799 N/A LEU 73.A N TYR 98.A O no hydrogen 2.787 N/A THR 74.A N ASP 53.A OD1 no hydrogen 2.787 N/A THR 74.A OG1 ASP 53.A OD1 no hydrogen 3.325 N/A THR 74.A OG1 ASP 53.A OD2 no hydrogen 2.667 N/A THR 74.A OG1 HIS 75.A ND1 no hydrogen 2.862 N/A HIS 75.A ND1 THR 74.A OG1 no hydrogen 2.862 N/A HIS 77.A ND1 HIS 75.A NE2 no hydrogen 3.144 N/A HIS 80.A N HIS 77.A O no hydrogen 2.910 N/A HIS 80.A ND1 ASP 53.A OD2 no hydrogen 2.709 N/A VAL 81.A N MET 78.A O no hydrogen 3.129 N/A GLN 82.A N MET 78.A O no hydrogen 2.809 N/A GLN 82.A NE2 GLY 55.A O no hydrogen 2.886 N/A GLY 83.A N ALA 54.A O no hydrogen 2.656 N/A LEU 84.A N VAL 81.A O no hydrogen 2.900 N/A PHE 85.A N GLN 82.A O no hydrogen 3.322 N/A ARG 88.A N LEU 84.A O no hydrogen 3.106 N/A ARG 88.A NE PHE 85.A O no hydrogen 3.092 N/A ARG 88.A NH1 ASP 108.A O no hydrogen 3.315 N/A ARG 88.A NH1 ASP 108.A OD1 no hydrogen 2.883 N/A ARG 88.A NH1 HIS 112.A O no hydrogen 2.876 N/A ARG 88.A NH2 ASP 108.A OD1 no hydrogen 2.965 N/A TRP 89.A N PRO 86.A O no hydrogen 3.308 N/A GLY 90.A N LEU 87.A O no hydrogen 2.943 N/A ILE 95.A N LEU 115.A O no hydrogen 2.806 N/A VAL 97.A N ASP 117.A O no hydrogen 2.805 N/A TYR 98.A N PHE 71.A O no hydrogen 2.856 N/A ASP 102.A N PRO 100.A O no hydrogen 2.770 N/A GLN 104.A N.A ASP 102.A OD1 no hydrogen 2.885 N/A GLN 104.A N.B ASP 102.A OD1 no hydrogen 2.889 N/A GLY 105.A N ASP 102.A OD1 no hydrogen 2.877 N/A LEU 109.A N CYS 106.A O no hydrogen 3.132 N/A HIS 112.A N ASP 108.A O no hydrogen 2.888 N/A LEU 115.A N ARG 88.A O no hydrogen 2.952 N/A LEU 116.A N PRO 113.A O no hydrogen 2.960 N/A ASP 117.A N ILE 95.A O no hydrogen 2.876 N/A SER 119.A N ASP 117.A OD1 no hydrogen 2.961 N/A SER 119.A OG ASP 117.A OD1 no hydrogen 2.733 N/A VAL 122.A N GLY 99.A O no hydrogen 2.958 N/A PHE 125.A N PRO 137.A O no hydrogen 2.845 N/A VAL 126.A N GLU 123.A O no hydrogen 3.058 N/A PHE 128.A N VAL 135.A O no hydrogen 2.870 N/A LEU 130.A N LEU 133.A O no hydrogen 2.929 N/A GLN 131.A NE2 GLN 70.A OE1 no hydrogen 2.982 N/A GLY 132.A N ASP 129.A OD2 no hydrogen 2.896 N/A LEU 133.A N LEU 130.A O no hydrogen 2.898 N/A GLN 134.A N GLU 152.A O no hydrogen 3.033 N/A GLN 134.A NE2 ASP 129.A OD1 no hydrogen 2.746 N/A GLN 134.A NE2 GLY 132.A O no hydrogen 3.083 N/A VAL 135.A N PHE 128.A O no hydrogen 2.861 N/A THR 136.A N LEU 150.A O no hydrogen 2.883 N/A LEU 138.A N GLY 148.A O no hydrogen 2.818 N/A LEU 140.A N THR 146.A O no hydrogen 2.969 N/A ASN 141.A N THR 164.A OG1 no hydrogen 2.982 N/A ASN 141.A ND2 ALA 165.A O no hydrogen 3.220 N/A HIS 142.A ND1 ASN 198.A O no hydrogen 2.962 N/A SER 143.A OG ASN 198.A OD1 no hydrogen 3.094 N/A THR 146.A OG1 LYS 144.A O no hydrogen 2.689 N/A PHE 147.A N THR 74.A O no hydrogen 2.891 N/A GLY 148.A N LEU 138.A O no hydrogen 2.802 N/A TYR 149.A N TRP 160.A O no hydrogen 2.893 N/A TYR 149.A OH LEU 73.A O no hydrogen 2.667 N/A LEU 150.A N THR 136.A O no hydrogen 2.897 N/A LEU 151.A N VAL 158.A O no hydrogen 2.736 N/A GLU 152.A N GLN 134.A O no hydrogen 2.816 N/A THR 153.A N SER 156.A O no hydrogen 2.947 N/A HIS 155.A N THR 153.A OG1 no hydrogen 3.359 N/A SER 156.A N THR 153.A OG1 no hydrogen 2.991 N/A ARG 157.A N GLN 181.A OE1 no hydrogen 2.988 N/A ARG 157.A NE GLN 179.A O no hydrogen 3.286 N/A ARG 157.A NH1 GLU 152.A OE2 no hydrogen 3.329 N/A ARG 157.A NH2 GLN 179.A O no hydrogen 3.376 N/A VAL 158.A N LEU 151.A O no hydrogen 2.884 N/A ALA 159.A N VAL 182.A O no hydrogen 2.886 N/A TRP 160.A N TYR 149.A O no hydrogen 2.814 N/A LEU 161.A N VAL 184.A O no hydrogen 2.814 N/A SER 162.A OG ASP 163.A OD1 no hydrogen 3.030 N/A THR 164.A N ASP 186.A OD2 no hydrogen 3.021 N/A THR 164.A OG1 GLY 166.A O no hydrogen 2.700 N/A ALA 165.A N ASN 141.A O no hydrogen 2.913 N/A THR 171.A OG1 PRO 139.A O no hydrogen 2.771 N/A LEU 172.A N PRO 168.A O no hydrogen 2.897 N/A LYS 173.A N GLU 169.A O no hydrogen 2.994 N/A PHE 174.A N LYS 170.A O no hydrogen 2.941 N/A LEU 175.A N THR 171.A O no hydrogen 2.976 N/A ARG 176.A N LEU 172.A O no hydrogen 3.010 N/A ASN 177.A N LYS 173.A O no hydrogen 2.878 N/A ASN 178.A N PHE 174.A O no hydrogen 2.807 N/A ASN 178.A N LEU 175.A O no hydrogen 3.288 N/A ASN 178.A ND2 PHE 174.A O no hydrogen 2.836 N/A GLN 181.A N ARG 157.A O no hydrogen 2.897 N/A GLN 181.A NE2 HIS 155.A O no hydrogen 3.032 N/A MET 183.A N.A ARG 216.A O no hydrogen 2.951 N/A MET 183.A N.B ARG 216.A O no hydrogen 2.970 N/A VAL 184.A N ALA 159.A O no hydrogen 2.806 N/A MET 185.A N ILE 218.A O no hydrogen 2.904 N/A ASP 186.A N LEU 161.A O no hydrogen 2.918 N/A CYS 187.A N THR 220.A O no hydrogen 2.859 N/A CYS 187.A SG HIS 189.A O no hydrogen 3.807 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.841 N/A SER 188.A OG HIS 221.A ND1 no hydrogen 3.064 N/A SER 188.A OG HIS 221.A O no hydrogen 3.090 N/A HIS 189.A N CYS 200.A O no hydrogen 3.272 N/A ARG 192.A N ASP 201.A OD2 no hydrogen 2.876 N/A HIS 199.A ND1 ASP 186.A OD2 no hydrogen 2.608 N/A CYS 200.A SG THR 164.A O no hydrogen 3.363 N/A LEU 202.A N HIS 189.A O no hydrogen 3.040 N/A ASN 203.A N ASP 201.A OD2 no hydrogen 2.968 N/A ASN 203.A ND2 ARG 192.A O no hydrogen 2.937 N/A THR 204.A N ASP 201.A OD1 no hydrogen 3.298 N/A THR 204.A OG1 ALA 195.A O no hydrogen 3.350 N/A THR 204.A OG1 ASP 201.A OD1 no hydrogen 2.617 N/A VAL 205.A N ASP 201.A O no hydrogen 3.087 N/A LEU 206.A N LEU 202.A O no hydrogen 2.916 N/A ALA 207.A N ASN 203.A O no hydrogen 2.980 N/A LEU 208.A N THR 204.A O no hydrogen 2.929 N/A ASN 209.A N VAL 205.A O no hydrogen 2.983 N/A ASN 209.A ND2 SER 214.A O no hydrogen 3.016 N/A GLN 210.A N LEU 206.A O no hydrogen 3.013 N/A GLN 210.A N ALA 207.A O no hydrogen 3.161 N/A VAL 211.A N LEU 208.A O no hydrogen 3.131 N/A ILE 212.A N LEU 208.A O no hydrogen 2.943 N/A ARG 213.A N ASN 209.A O no hydrogen 2.817 N/A SER 214.A N ASN 209.A OD1 no hydrogen 2.845 N/A SER 214.A OG PRO 180.A O no hydrogen 2.814 N/A SER 214.A OG ARG 216.A O no hydrogen 3.497 N/A ARG 216.A NE GLU 240.A OE2 no hydrogen 2.901 N/A ARG 216.A NH2 GLU 240.A OE1 no hydrogen 2.842 N/A VAL 217.A N GLY 238.A O no hydrogen 2.912 N/A ILE 218.A N MET 183.A O.A no hydrogen 2.751 N/A ILE 218.A N MET 183.A O.B no hydrogen 2.975 N/A LEU 219.A N GLU 240.A O no hydrogen 2.825 N/A THR 220.A N MET 185.A O no hydrogen 2.875 N/A HIS 221.A N THR 220.A OG1 no hydrogen 2.824 N/A HIS 221.A ND1 SER 188.A OG no hydrogen 3.064 N/A ILE 222.A N THR 9.A O no hydrogen 2.849 N/A SER 223.A N SER 188.A O no hydrogen 3.115 N/A SER 223.A OG SER 188.A O no hydrogen 2.678 N/A GLN 225.A NE2 SER 223.A OG no hydrogen 3.139 N/A PHE 226.A N SER 223.A OG no hydrogen 3.216 N/A ASP 227.A N SER 223.A O no hydrogen 2.976 N/A ALA 228.A N HIS 224.A O no hydrogen 2.929 N/A TRP 229.A N GLN 225.A O no hydrogen 3.054 N/A LEU 230.A N PHE 226.A O no hydrogen 2.836 N/A MET 231.A N ASP 227.A O no hydrogen 3.072 N/A MET 231.A N ALA 228.A O no hydrogen 3.229 N/A GLU 232.A N TRP 229.A O no hydrogen 3.017 N/A ASN 233.A ND2 TRP 229.A O no hydrogen 2.907 N/A PHE 239.A N PRO 236.A O no hydrogen 3.194 N/A GLU 240.A N VAL 217.A O no hydrogen 2.891 N/A GLY 242.A N LEU 219.A O no hydrogen 2.865 N/A GLY 245.A N LEU 6.A O no hydrogen 2.607 N/A MET 246.A N PHE 243.A O no hydrogen 2.996 N/A ILE 248.A N LEU 4.A O.A no hydrogen 2.695 N/A ILE 248.A N LEU 4.A O.B no hydrogen 2.849 N/A