Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p1o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N MET 2.A O no hydrogen 2.990 N/A ARG 7.A NH1 GLU 43.A OE1 no hydrogen 3.527 N/A ARG 7.A NH1 GLU 43.A OE2 no hydrogen 2.925 N/A ARG 7.A NH2 GLU 43.A OE1 no hydrogen 2.754 N/A LEU 10.A N GLU 6.A O no hydrogen 2.929 N/A ILE 11.A N ARG 7.A O no hydrogen 2.992 N/A GLN 12.A N ALA 8.A O no hydrogen 2.954 N/A LYS 13.A N SER 9.A O no hydrogen 2.906 N/A ALA 14.A N LEU 10.A O no hydrogen 2.875 N/A LYS 15.A N ILE 11.A O no hydrogen 3.027 N/A LYS 15.A NZ GLU 42.A OE1.A no hydrogen 2.552 N/A LYS 15.A NZ GLU 42.A OE2.B no hydrogen 2.903 N/A LEU 16.A N GLN 12.A O no hydrogen 3.017 N/A ALA 17.A N LYS 13.A O no hydrogen 2.784 N/A GLU 18.A N ALA 14.A O no hydrogen 2.870 N/A GLN 19.A N LYS 15.A O no hydrogen 3.147 N/A GLN 19.A NE2 LYS 15.A O no hydrogen 3.380 N/A ALA 20.A N LEU 16.A O no hydrogen 2.902 N/A ALA 20.A N ALA 17.A O no hydrogen 3.088 N/A GLU 21.A N GLU 18.A O no hydrogen 3.048 N/A ARG 22.A N ALA 17.A O no hydrogen 2.783 N/A ARG 22.A NE ASP 25.A OD2 no hydrogen 2.895 N/A ARG 22.A NH2 ASP 25.A OD2 no hydrogen 2.796 N/A MET 26.A N ARG 22.A O no hydrogen 2.799 N/A ALA 27.A N TYR 23.A O no hydrogen 2.828 N/A ALA 28.A N GLU 24.A O no hydrogen 2.917 N/A PHE 29.A N ASP 25.A O no hydrogen 2.861 N/A MET 30.A N MET 26.A O no hydrogen 3.002 N/A LYS 31.A N ALA 27.A O no hydrogen 2.823 N/A LYS 31.A NZ GLU 35.A OE2 no hydrogen 2.568 N/A GLY 32.A N ALA 28.A O no hydrogen 3.040 N/A ALA 33.A N PHE 29.A O no hydrogen 2.828 N/A VAL 34.A N MET 30.A O no hydrogen 2.872 N/A GLU 35.A N LYS 31.A O no hydrogen 2.927 N/A LYS 36.A N ALA 33.A O no hydrogen 3.092 N/A LYS 36.A NZ MET 5.A O no hydrogen 2.755 N/A GLY 37.A N VAL 34.A O no hydrogen 2.937 N/A SER 41.A N GLU 43.A OE1 no hydrogen 2.756 N/A GLU 43.A N SER 41.A OG no hydrogen 3.166 N/A ARG 44.A N SER 41.A O no hydrogen 2.831 N/A ARG 44.A NH1.B ASN 45.A OD1 no hydrogen 2.729 N/A ARG 44.A NH2.B GLU 118.A O no hydrogen 3.454 N/A LEU 46.A N GLU 42.A O no hydrogen 3.148 N/A LEU 47.A N GLU 43.A O no hydrogen 2.995 N/A SER 48.A N ARG 44.A O no hydrogen 3.003 N/A SER 48.A OG.A ARG 44.A O no hydrogen 3.562 N/A SER 48.A OG.A ASN 45.A O no hydrogen 3.132 N/A VAL 49.A N ASN 45.A O no hydrogen 2.925 N/A ALA 50.A N LEU 46.A O no hydrogen 2.948 N/A TYR 51.A N LEU 47.A O no hydrogen 3.279 N/A LYS 52.A N SER 48.A O no hydrogen 2.860 N/A ASN 53.A N VAL 49.A O no hydrogen 3.116 N/A ASN 53.A ND2 VAL 49.A O no hydrogen 2.866 N/A VAL 54.A N ALA 50.A O no hydrogen 3.038 N/A VAL 55.A N TYR 51.A O no hydrogen 2.886 N/A GLY 56.A N LYS 52.A O no hydrogen 2.867 N/A GLY 57.A N ASN 53.A O no hydrogen 3.081 N/A GLN 58.A N VAL 54.A O no hydrogen 3.165 N/A GLN 58.A NE2 GLU 94.A OE2.A no hydrogen 2.879 N/A ARG 59.A N VAL 55.A O no hydrogen 2.730 N/A ARG 59.A NE GLU 136.A OE1 no hydrogen 2.928 N/A ARG 59.A NH2 GLU 136.A OE1 no hydrogen 3.537 N/A ARG 59.A NH2 GLU 136.A OE2 no hydrogen 2.830 N/A ALA 60.A N GLY 56.A O no hydrogen 2.990 N/A ALA 61.A N GLY 57.A O no hydrogen 2.995 N/A TRP 62.A N GLN 58.A O no hydrogen 2.829 N/A TRP 62.A NE1 GLU 92.A OE1 no hydrogen 2.895 N/A ARG 63.A N ARG 59.A O no hydrogen 2.893 N/A VAL 64.A N ALA 60.A O no hydrogen 3.142 N/A LEU 65.A N ALA 61.A O no hydrogen 2.987 N/A SER 66.A N TRP 62.A O no hydrogen 2.740 N/A SER 67.A N ARG 63.A O no hydrogen 2.994 N/A SER 67.A OG.A ARG 63.A O no hydrogen 3.268 N/A SER 67.A OG.A VAL 64.A O no hydrogen 2.639 N/A SER 67.A OG.C ARG 63.A O no hydrogen 3.122 N/A ILE 68.A N VAL 64.A O no hydrogen 3.093 N/A GLU 69.A N LEU 65.A O no hydrogen 2.815 N/A GLN 70.A N SER 66.A O no hydrogen 2.829 N/A LYS 71.A N SER 67.A O no hydrogen 2.979 N/A LYS 71.A NZ SER 67.A OG.B no hydrogen 3.162 N/A SER 72.A N ILE 68.A O no hydrogen 2.892 N/A SER 72.A OG GLU 69.A O no hydrogen 2.872 N/A ASN 73.A N GLN 70.A O no hydrogen 3.231 N/A GLU 74.A N LYS 71.A O no hydrogen 3.243 N/A SER 77.A N GLU 74.A O no hydrogen 3.477 N/A SER 77.A OG LYS 71.A O no hydrogen 2.587 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.687 N/A ARG 85.A NH1 GLU 89.A OE2.A no hydrogen 3.150 N/A GLU 86.A N PRO 82.A O no hydrogen 2.971 N/A TYR 87.A N GLU 83.A O no hydrogen 2.880 N/A ARG 88.A N VAL 84.A O no hydrogen 2.819 N/A ARG 88.A NE GLU 69.A OE1 no hydrogen 2.696 N/A ARG 88.A NH1 GLU 92.A OE1 no hydrogen 2.872 N/A ARG 88.A NH2 GLU 69.A OE1 no hydrogen 3.549 N/A ARG 88.A NH2 GLU 69.A OE2 no hydrogen 2.931 N/A GLU 89.A N ARG 85.A O no hydrogen 2.882 N/A LYS 90.A N GLU 86.A O no hydrogen 2.854 N/A LYS 90.A N TYR 87.A O no hydrogen 3.154 N/A LYS 90.A NZ.B GLU 94.A OE1.B no hydrogen 3.489 N/A LYS 90.A NZ.B GLU 94.A OE2.B no hydrogen 2.633 N/A VAL 91.A N TYR 87.A O no hydrogen 3.047 N/A GLU 92.A N ARG 88.A O no hydrogen 2.839 N/A THR 93.A N GLU 89.A O no hydrogen 2.891 N/A THR 93.A OG1.A GLU 89.A O no hydrogen 2.484 N/A THR 93.A OG1.A GLU 89.A OE2.B no hydrogen 3.075 N/A THR 93.A OG1.B GLU 89.A O no hydrogen 3.037 N/A THR 93.A OG1.B LYS 90.A O no hydrogen 2.816 N/A GLU 94.A N LYS 90.A O no hydrogen 3.149 N/A LEU 95.A N VAL 91.A O no hydrogen 2.987 N/A GLN 96.A N GLU 92.A O no hydrogen 2.848 N/A GLY 97.A N THR 93.A O no hydrogen 2.995 N/A VAL 98.A N GLU 94.A O no hydrogen 2.953 N/A CYS 99.A N LEU 95.A O no hydrogen 2.894 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.435 N/A CYS 99.A SG TYR 130.A O no hydrogen 3.894 N/A ASP 100.A N GLN 96.A O no hydrogen 2.870 N/A THR 101.A N GLY 97.A O no hydrogen 2.988 N/A THR 101.A OG1 GLY 97.A O no hydrogen 3.002 N/A VAL 102.A N VAL 98.A O no hydrogen 3.007 N/A LEU 103.A N CYS 99.A O no hydrogen 2.869 N/A GLY 104.A N ASP 100.A O no hydrogen 2.949 N/A LEU 105.A N THR 101.A O no hydrogen 3.000 N/A LEU 106.A N VAL 102.A O no hydrogen 2.851 N/A ASP 107.A N LEU 103.A O no hydrogen 2.868 N/A SER 108.A N GLY 104.A O no hydrogen 3.030 N/A SER 108.A OG GLY 104.A O no hydrogen 2.844 N/A LEU 110.A N LEU 106.A O no hydrogen 3.290 N/A ILE 111.A N LEU 106.A O no hydrogen 2.940 N/A ALA 114.A N ILE 111.A O no hydrogen 3.189 N/A SER 119.A OG.A ASP 116.A O no hydrogen 2.906 N/A ARG 120.A N ASP 116.A O no hydrogen 2.875 N/A ARG 120.A NH1 ALA 114.A O no hydrogen 3.080 N/A VAL 121.A N ALA 117.A O no hydrogen 2.852 N/A PHE 122.A N GLU 118.A O no hydrogen 3.267 N/A TYR 123.A N SER 119.A O no hydrogen 2.960 N/A LEU 124.A N ARG 120.A O no hydrogen 2.925 N/A LYS 125.A N VAL 121.A O no hydrogen 2.824 N/A LYS 125.A NZ ASP 129.A OD2 no hydrogen 2.755 N/A MET 126.A N PHE 122.A O no hydrogen 3.047 N/A LYS 127.A N TYR 123.A O no hydrogen 2.865 N/A LYS 127.A NZ ASP 107.A OD1.B no hydrogen 3.268 N/A GLY 128.A N LEU 124.A O no hydrogen 2.888 N/A ASP 129.A N LYS 125.A O no hydrogen 2.813 N/A TYR 130.A N MET 126.A O no hydrogen 2.932 N/A TYR 131.A N LYS 127.A O no hydrogen 3.061 N/A ARG 132.A N GLY 128.A O no hydrogen 2.824 N/A ARG 132.A NE TYR 154.A OH no hydrogen 2.929 N/A ARG 132.A NH2 ASP 129.A OD1 no hydrogen 3.276 N/A ARG 132.A NH2 TYR 154.A OH no hydrogen 3.468 N/A TYR 133.A N ASP 129.A O no hydrogen 2.815 N/A LEU 134.A N TYR 130.A O no hydrogen 3.009 N/A ALA 135.A N TYR 131.A O no hydrogen 2.893 N/A GLU 136.A N ARG 132.A O no hydrogen 2.859 N/A VAL 137.A N LEU 134.A O no hydrogen 3.182 N/A ALA 138.A N LEU 134.A O no hydrogen 2.997 N/A ALA 138.A N ALA 135.A O no hydrogen 3.343 N/A LYS 143.A N GLY 140.A O no hydrogen 3.362 N/A LYS 143.A NZ ALA 138.A O no hydrogen 3.458 N/A ILE 146.A N ASP 142.A O no hydrogen 2.897 N/A ILE 147.A N LYS 143.A O no hydrogen 2.911 N/A ASP 148.A N LYS 144.A O no hydrogen 2.954 N/A SER 149.A N ARG 145.A O no hydrogen 2.988 N/A SER 149.A OG ARG 145.A O no hydrogen 3.142 N/A ALA 150.A N ILE 146.A O no hydrogen 2.992 N/A ARG 151.A N ILE 147.A O no hydrogen 2.873 N/A ARG 151.A NE.B ASP 148.A OD1.B no hydrogen 3.026 N/A ARG 151.A NH2.B ASP 148.A OD1.B no hydrogen 3.208 N/A ARG 151.A NH2.B ASP 148.A OD2.B no hydrogen 2.901 N/A SER 152.A N ASP 148.A O no hydrogen 2.827 N/A SER 152.A OG.A ASP 148.A O no hydrogen 3.114 N/A SER 152.A OG.A SER 149.A O no hydrogen 3.206 N/A SER 152.A OG.B ASP 148.A O no hydrogen 2.822 N/A ALA 153.A N SER 149.A O no hydrogen 3.143 N/A TYR 154.A N ALA 150.A O no hydrogen 2.986 N/A TYR 154.A OH ASP 129.A OD1 no hydrogen 2.539 N/A GLN 155.A N ARG 151.A O no hydrogen 2.746 N/A GLN 155.A NE2 GLN 155.A O no hydrogen 3.279 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 3.022 N/A GLU 156.A N SER 152.A O no hydrogen 3.076 N/A ALA 157.A N ALA 153.A O no hydrogen 2.979 N/A MET 158.A N TYR 154.A O no hydrogen 2.766 N/A ASP 159.A N GLN 155.A O no hydrogen 2.863 N/A ILE 160.A N GLU 156.A O no hydrogen 3.101 N/A SER 161.A N ALA 157.A O no hydrogen 2.887 N/A SER 161.A OG ALA 157.A O no hydrogen 3.360 N/A SER 161.A OG MET 158.A O no hydrogen 3.130 N/A LYS 162.A N.A MET 158.A O no hydrogen 3.093 N/A LYS 162.A N.C MET 158.A O no hydrogen 3.101 N/A LYS 162.A NZ.C MET 158.A O no hydrogen 2.996 N/A LYS 163.A N ASP 159.A O no hydrogen 3.243 N/A GLU 164.A N ILE 160.A O no hydrogen 2.730 N/A MET 165.A N SER 161.A O no hydrogen 2.834 N/A THR 168.A OG1 ASP 207.A OD1 no hydrogen 2.866 N/A ASN 169.A N PRO 166.A O no hydrogen 3.042 N/A ARG 172.A N ASN 169.A OD1 no hydrogen 3.123 N/A ARG 172.A NH1 MET 165.A O no hydrogen 2.796 N/A LEU 173.A N ASN 169.A O no hydrogen 2.827 N/A GLY 174.A N PRO 170.A O no hydrogen 2.772 N/A LEU 175.A N ILE 171.A O no hydrogen 2.900 N/A ALA 176.A N ARG 172.A O no hydrogen 3.110 N/A LEU 177.A N LEU 173.A O no hydrogen 2.939 N/A ASN 178.A N GLY 174.A O no hydrogen 2.921 N/A ASN 178.A ND2 ASP 129.A OD1 no hydrogen 2.759 N/A ASN 178.A ND2 ASP 129.A OD2 no hydrogen 3.444 N/A PHE 179.A N LEU 175.A O no hydrogen 2.781 N/A SER 180.A N ALA 176.A O no hydrogen 2.904 N/A SER 180.A OG.A ALA 193.A O no hydrogen 2.729 N/A SER 180.A OG.B ALA 176.A O no hydrogen 3.362 N/A SER 180.A OG.B LEU 177.A O no hydrogen 2.414 N/A VAL 181.A N LEU 177.A O no hydrogen 2.956 N/A PHE 182.A N ASN 178.A O no hydrogen 2.891 N/A HIS 183.A N PHE 179.A O no hydrogen 2.900 N/A TYR 184.A N SER 180.A O no hydrogen 2.996 N/A GLU 185.A N VAL 181.A O no hydrogen 2.915 N/A ILE 186.A N PHE 182.A O no hydrogen 2.893 N/A ALA 187.A N PHE 182.A O no hydrogen 2.916 N/A SER 189.A N HIS 183.A O no hydrogen 2.584 N/A SER 189.A OG ALA 187.A O no hydrogen 3.124 N/A ALA 193.A N SER 189.A O no hydrogen 3.021 N/A ILE 194.A N PRO 190.A O no hydrogen 2.950 N/A SER 195.A N GLU 191.A O no hydrogen 2.955 N/A SER 195.A OG.B GLU 191.A O no hydrogen 3.258 N/A LEU 196.A N GLU 192.A O no hydrogen 2.921 N/A ALA 197.A N ALA 193.A O no hydrogen 2.984 N/A LYS 198.A N ILE 194.A O no hydrogen 2.894 N/A LYS 198.A NZ ASP 202.A OD2 no hydrogen 2.697 N/A THR 199.A N SER 195.A O no hydrogen 2.952 N/A THR 199.A OG1.A SER 195.A O no hydrogen 3.225 N/A THR 199.A OG1.C GLU 203.A OE2.A no hydrogen 3.039 N/A THR 199.A OG1.C GLU 203.A OE2.B no hydrogen 2.225 N/A THR 200.A N LEU 196.A O no hydrogen 2.945 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.730 N/A PHE 201.A N ALA 197.A O no hydrogen 2.941 N/A ASP 202.A N LYS 198.A O no hydrogen 2.855 N/A GLU 203.A N THR 199.A O no hydrogen 2.919 N/A ALA 204.A N THR 200.A O no hydrogen 3.071 N/A MET 205.A N PHE 201.A O no hydrogen 2.931 N/A ALA 206.A N ASP 202.A O no hydrogen 3.149 N/A ASP 207.A N ALA 204.A O no hydrogen 3.115 N/A LEU 208.A N MET 205.A O no hydrogen 3.302 N/A HIS 209.A ND1 ALA 206.A O no hydrogen 3.091 N/A THR 210.A N ASP 207.A O no hydrogen 3.074 N/A THR 210.A OG1 ASP 207.A O no hydrogen 2.775 N/A THR 210.A OG1 ASP 207.A OD1 no hydrogen 3.231 N/A LEU 211.A N LEU 208.A O no hydrogen 3.081 N/A SER 219.A N ASP 218.A OD1 no hydrogen 2.992 N/A SER 219.A OG THR 168.A O no hydrogen 2.447 N/A THR 220.A N TYR 216.A O no hydrogen 2.866 N/A THR 220.A OG1 TYR 216.A O no hydrogen 3.203 N/A LEU 221.A N LYS 217.A O no hydrogen 3.098 N/A ILE 222.A N ASP 218.A O no hydrogen 3.016 N/A MET 223.A N SER 219.A O no hydrogen 2.919 N/A GLN 224.A N THR 220.A O no hydrogen 3.048 N/A LEU 225.A N LEU 221.A O no hydrogen 3.049 N/A LEU 226.A N ILE 222.A O no hydrogen 2.959 N/A ARG 227.A N MET 223.A O no hydrogen 2.996 N/A ASP 228.A N GLN 224.A O no hydrogen 2.750 N/A ASN 229.A N LEU 225.A O no hydrogen 2.904 N/A LEU 230.A N LEU 226.A O no hydrogen 2.884 N/A THR 231.A N ARG 227.A O no hydrogen 2.841 N/A THR 231.A OG1 ARG 227.A O no hydrogen 2.858 N/A LEU 232.A N ASP 228.A O no hydrogen 2.907 N/A TRP 233.A N ASN 229.A O no hydrogen 2.878 N/A THR 234.A N LEU 230.A O no hydrogen 3.002 N/A THR 234.A OG1 LEU 230.A O no hydrogen 2.520 N/A