Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3um9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N HIS 3.A ND1 no hydrogen 2.956 N/A HIS 3.A N HIS 3.A ND1 no hydrogen 3.005 N/A LYS 6.A N GLU 171.A O no hydrogen 2.844 N/A ALA 7.A N GLU 171.A O no hydrogen 3.202 N/A VAL 8.A N LYS 114.A O no hydrogen 2.971 N/A VAL 9.A N LEU 173.A O no hydrogen 2.874 N/A PHE 10.A N ALA 116.A O no hydrogen 2.806 N/A ASP 11.A N VAL 175.A O no hydrogen 3.297 N/A TYR 13.A OH SER 125.A OG no hydrogen 2.513 N/A GLY 14.A N TYR 17.A O no hydrogen 2.723 N/A THR 15.A OG1 ASP 11.A OD2 no hydrogen 2.267 N/A LEU 16.A N LEU 12.A O no hydrogen 3.243 N/A TYR 17.A N LEU 12.A O no hydrogen 3.272 N/A TYR 17.A OH SER 133.A OG no hydrogen 2.787 N/A ASP 18.A N THR 96.A O no hydrogen 2.986 N/A TYR 20.A N ASP 18.A OD1 no hydrogen 2.911 N/A SER 21.A N ASP 18.A O no hydrogen 2.913 N/A SER 21.A OG ASP 18.A O no hydrogen 2.545 N/A SER 21.A OG THR 96.A OG1 no hydrogen 3.047 N/A ARG 23.A N TYR 20.A O no hydrogen 3.106 N/A THR 24.A N SER 21.A O no hydrogen 3.399 N/A THR 24.A OG1 SER 21.A O no hydrogen 3.243 N/A SER 25.A OG HIS 87.A NE2 no hydrogen 3.352 N/A CYS 26.A N VAL 22.A O no hydrogen 3.069 N/A CYS 26.A SG VAL 22.A O no hydrogen 3.433 N/A GLU 27.A N ARG 23.A O no hydrogen 2.757 N/A ARG 28.A N THR 24.A O no hydrogen 3.185 N/A ILE 29.A N CYS 26.A O no hydrogen 3.131 N/A PHE 30.A N CYS 26.A O no hydrogen 2.820 N/A GLY 32.A N GLU 27.A OE2 no hydrogen 2.674 N/A GLN 33.A N PHE 30.A O no hydrogen 3.177 N/A GLN 33.A NE2 PRO 31.A O no hydrogen 3.021 N/A GLY 34.A N GLU 27.A OE1 no hydrogen 2.989 N/A VAL 37.A N GLN 33.A O no hydrogen 3.207 N/A SER 38.A N GLY 34.A O no hydrogen 3.096 N/A SER 38.A OG GLY 34.A O no hydrogen 3.268 N/A SER 38.A OG GLU 35.A O no hydrogen 3.024 N/A LYS 39.A N GLU 35.A O no hydrogen 2.653 N/A MET 40.A N MET 36.A O no hydrogen 2.954 N/A TRP 41.A N VAL 37.A O no hydrogen 2.882 N/A TRP 41.A NE1 THR 65.A O no hydrogen 2.879 N/A ARG 42.A N SER 38.A O no hydrogen 3.186 N/A ARG 42.A NH1 GLN 45.A OE1 no hydrogen 2.796 N/A GLN 43.A N LYS 39.A O no hydrogen 3.199 N/A GLN 43.A NE2 GLU 47.A OE2 no hydrogen 2.919 N/A LYS 44.A N MET 40.A O no hydrogen 2.907 N/A GLN 45.A N TRP 41.A O no hydrogen 2.793 N/A GLN 45.A NE2 THR 65.A OG1 no hydrogen 3.093 N/A LEU 46.A N ARG 42.A O no hydrogen 2.975 N/A GLU 47.A N GLN 43.A O no hydrogen 2.865 N/A TYR 48.A N LYS 44.A O no hydrogen 2.856 N/A THR 49.A N GLN 45.A O no hydrogen 3.093 N/A THR 49.A OG1 LEU 46.A O no hydrogen 2.406 N/A TRP 50.A N LEU 46.A O no hydrogen 3.113 N/A MET 51.A N GLU 47.A O no hydrogen 2.799 N/A ARG 52.A N TYR 48.A O no hydrogen 3.049 N/A ARG 52.A NH1 GLN 57.A O no hydrogen 2.808 N/A THR 53.A N THR 49.A O no hydrogen 3.198 N/A THR 53.A OG1 THR 49.A O no hydrogen 2.847 N/A LEU 54.A N TRP 50.A O no hydrogen 2.991 N/A MET 55.A N MET 51.A O no hydrogen 2.952 N/A MET 55.A N ARG 52.A O no hydrogen 3.278 N/A GLN 57.A N ARG 52.A O no hydrogen 2.747 N/A TYR 58.A OH ASP 146.A OD1 no hydrogen 2.647 N/A SER 63.A N ASP 60.A OD2 no hydrogen 3.192 N/A ALA 64.A N ASP 60.A O no hydrogen 3.106 N/A THR 65.A N PHE 61.A O no hydrogen 2.901 N/A THR 65.A OG1 PHE 61.A O no hydrogen 2.614 N/A LEU 66.A N GLU 62.A O no hydrogen 3.204 N/A ASP 67.A N SER 63.A O no hydrogen 3.120 N/A ALA 68.A N ALA 64.A O no hydrogen 2.858 N/A LEU 69.A N THR 65.A O no hydrogen 2.716 N/A ARG 70.A N LEU 66.A O no hydrogen 2.841 N/A ARG 70.A NE GLU 85.A OE1 no hydrogen 3.481 N/A ARG 70.A NE GLU 85.A OE2 no hydrogen 2.819 N/A ARG 70.A NH1 GLU 85.A OE1 no hydrogen 3.051 N/A TYR 71.A N ASP 67.A O no hydrogen 2.979 N/A THR 72.A N ALA 68.A O no hydrogen 3.041 N/A THR 72.A OG1 ALA 68.A O no hydrogen 2.862 N/A CYS 73.A N LEU 69.A O no hydrogen 3.183 N/A CYS 73.A SG LEU 69.A O no hydrogen 3.610 N/A GLY 74.A N ARG 70.A O no hydrogen 3.188 N/A SER 75.A N TYR 71.A O no hydrogen 2.613 N/A LEU 76.A N THR 72.A O no hydrogen 2.902 N/A GLY 77.A N CYS 73.A O no hydrogen 2.759 N/A GLY 77.A N GLY 74.A O no hydrogen 3.121 N/A LEU 78.A N CYS 73.A O no hydrogen 2.721 N/A GLY 84.A N ASP 81.A OD1 no hydrogen 2.663 N/A GLU 85.A N ASP 81.A O no hydrogen 2.976 N/A ALA 86.A N ALA 82.A O no hydrogen 3.010 N/A HIS 87.A N ASP 83.A O no hydrogen 3.035 N/A LEU 88.A N GLY 84.A O no hydrogen 2.948 N/A CYS 89.A N GLU 85.A O no hydrogen 2.993 N/A CYS 89.A SG GLU 85.A O no hydrogen 3.333 N/A SER 90.A N ALA 86.A O no hydrogen 3.002 N/A SER 90.A OG HIS 87.A O no hydrogen 2.973 N/A GLU 91.A N HIS 87.A O no hydrogen 3.082 N/A TYR 92.A N CYS 89.A O no hydrogen 3.089 N/A LEU 93.A N SER 90.A O no hydrogen 3.059 N/A SER 94.A N GLU 91.A O no hydrogen 3.326 N/A THR 96.A N SER 21.A OG no hydrogen 3.082 N/A THR 96.A OG1 SER 21.A OG no hydrogen 3.047 N/A PHE 98.A N LEU 16.A O no hydrogen 3.036 N/A VAL 101.A N PHE 98.A O no hydrogen 3.246 N/A GLN 103.A NE2 ALA 99.A O no hydrogen 2.534 N/A ALA 104.A N ASP 100.A O no hydrogen 3.037 N/A LEU 105.A N VAL 101.A O no hydrogen 2.980 N/A GLN 106.A N PRO 102.A O no hydrogen 3.185 N/A GLN 106.A NE2 PRO 102.A O no hydrogen 2.634 N/A GLN 106.A NE2 SER 138.A OG no hydrogen 3.038 N/A GLN 107.A N GLN 103.A O no hydrogen 3.076 N/A LEU 108.A N ALA 104.A O no hydrogen 3.000 N/A ARG 109.A N LEU 105.A O no hydrogen 3.066 N/A ARG 109.A NH1 ASP 140.A OD1 no hydrogen 3.187 N/A ARG 109.A NH2 SER 138.A O no hydrogen 2.950 N/A ARG 109.A NH2 ASP 140.A OD2 no hydrogen 2.851 N/A ALA 110.A N GLN 106.A O no hydrogen 2.746 N/A ALA 111.A N GLN 107.A O no hydrogen 2.899 N/A GLY 112.A N ARG 109.A O no hydrogen 2.936 N/A LEU 113.A N LEU 108.A O no hydrogen 3.281 N/A LYS 114.A N LYS 6.A O no hydrogen 3.039 N/A THR 115.A N ASP 140.A OD2 no hydrogen 2.907 N/A THR 115.A OG1 SER 138.A O no hydrogen 2.654 N/A ALA 116.A N VAL 8.A O no hydrogen 2.993 N/A ILE 117.A N HIS 141.A O no hydrogen 3.236 N/A LEU 118.A N PHE 10.A O no hydrogen 2.759 N/A SER 119.A N ILE 143.A O no hydrogen 2.804 N/A GLY 121.A N SER 119.A OG no hydrogen 3.026 N/A SER 122.A OG GLU 62.A OE2 no hydrogen 2.667 N/A ARG 123.A N ASP 146.A OD2 no hydrogen 3.107 N/A SER 125.A N SER 122.A OG no hydrogen 2.961 N/A SER 125.A OG TYR 13.A OH no hydrogen 2.513 N/A ILE 126.A N SER 122.A O no hydrogen 3.045 N/A ARG 127.A N ARG 123.A O no hydrogen 3.094 N/A GLN 128.A N HIS 124.A O no hydrogen 2.728 N/A VAL 129.A N SER 125.A O no hydrogen 3.019 N/A VAL 130.A N ILE 126.A O no hydrogen 2.920 N/A GLY 131.A N ARG 127.A O no hydrogen 2.690 N/A ASN 132.A N GLN 128.A O no hydrogen 2.724 N/A ASN 132.A ND2 LEU 93.A O no hydrogen 3.018 N/A SER 133.A N VAL 129.A O no hydrogen 3.275 N/A SER 133.A N VAL 130.A O no hydrogen 3.025 N/A SER 133.A OG TYR 17.A OH no hydrogen 2.787 N/A SER 133.A OG VAL 129.A O no hydrogen 3.278 N/A SER 133.A OG VAL 130.A O no hydrogen 2.593 N/A GLY 134.A N GLY 131.A O no hydrogen 2.891 N/A LEU 135.A N VAL 130.A O no hydrogen 3.382 N/A SER 138.A N LEU 135.A O no hydrogen 2.934 N/A SER 138.A OG GLN 106.A OE1 no hydrogen 3.292 N/A ASP 140.A N THR 115.A O no hydrogen 2.764 N/A ILE 143.A N ILE 117.A O no hydrogen 2.774 N/A SER 144.A OG GLY 121.A O no hydrogen 2.516 N/A VAL 145.A N SER 119.A O no hydrogen 2.963 N/A ASP 146.A N SER 144.A OG no hydrogen 3.022 N/A GLU 147.A N SER 144.A O no hydrogen 3.087 N/A VAL 148.A N VAL 145.A O no hydrogen 3.147 N/A ARG 149.A N VAL 145.A O no hydrogen 2.900 N/A PHE 151.A N THR 53.A OG1 no hydrogen 3.066 N/A LYS 152.A N ASN 120.A OD1 no hydrogen 3.157 N/A LYS 152.A NZ LEU 118.A O no hydrogen 2.903 N/A LYS 152.A NZ ASP 181.A OD1 no hydrogen 3.422 N/A LYS 152.A NZ ASP 181.A OD2 no hydrogen 2.792 N/A HIS 154.A N PHE 151.A O no hydrogen 2.980 N/A GLN 155.A NE2 PRO 153.A O no hydrogen 3.082 N/A GLN 155.A NE2 GLY 184.A O no hydrogen 3.023 N/A VAL 157.A N.A HIS 154.A O no hydrogen 2.969 N/A VAL 157.A N.B HIS 154.A O no hydrogen 2.945 N/A TYR 158.A OH ASP 181.A OD1 no hydrogen 2.372 N/A GLU 159.A N GLN 155.A O no hydrogen 3.217 N/A LEU 160.A N VAL 157.A O.A no hydrogen 3.014 N/A LEU 160.A N VAL 157.A O.B no hydrogen 3.013 N/A ALA 161.A N TYR 158.A O no hydrogen 3.228 N/A MET 162.A N TYR 190.A OH no hydrogen 2.958 N/A ASP 163.A N GLU 159.A O no hydrogen 3.225 N/A THR 164.A N LEU 160.A O no hydrogen 2.936 N/A THR 164.A N ALA 161.A O no hydrogen 3.225 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.632 N/A LEU 165.A N ALA 161.A O no hydrogen 2.960 N/A LEU 167.A N MET 162.A O no hydrogen 3.345 N/A GLY 168.A N GLU 171.A OE1 no hydrogen 2.752 N/A GLU 169.A N GLU 169.A OE2 no hydrogen 2.730 N/A GLU 171.A N GLY 168.A O no hydrogen 3.002 N/A ILE 172.A N GLU 169.A O no hydrogen 3.370 N/A LEU 173.A N ALA 7.A O no hydrogen 2.931 N/A PHE 174.A N PRO 191.A O no hydrogen 2.910 N/A VAL 175.A N VAL 9.A O no hydrogen 2.749 N/A SER 176.A N CYS 193.A O no hydrogen 3.137 N/A SER 176.A OG ASP 11.A OD1 no hydrogen 3.374 N/A SER 176.A OG ASP 11.A OD2 no hydrogen 3.190 N/A SER 176.A OG ASN 178.A O no hydrogen 3.419 N/A CYS 177.A N THR 15.A OG1 no hydrogen 2.806 N/A CYS 177.A SG ILE 195.A O no hydrogen 3.664 N/A ASN 178.A N SER 176.A OG no hydrogen 3.005 N/A ASP 181.A N ASN 178.A O no hydrogen 3.061 N/A ALA 182.A N ASN 178.A O no hydrogen 3.168 N/A THR 183.A N SER 179.A O no hydrogen 2.888 N/A THR 183.A OG1 SER 179.A O no hydrogen 2.927 N/A GLY 184.A N TRP 180.A O no hydrogen 3.127 N/A ALA 185.A N ASP 181.A O no hydrogen 3.084 N/A LYS 186.A N ALA 182.A O no hydrogen 2.891 N/A LYS 186.A NZ ASP 210.A OD1 no hydrogen 3.027 N/A LYS 186.A NZ ASP 210.A OD2 no hydrogen 2.775 N/A TYR 187.A N THR 183.A O no hydrogen 2.988 N/A TYR 187.A OH LEU 205.A O no hydrogen 2.632 N/A PHE 188.A N GLY 184.A O no hydrogen 2.883 N/A GLY 189.A N ALA 185.A O no hydrogen 2.900 N/A TYR 190.A N ALA 185.A O no hydrogen 2.971 N/A TYR 190.A OH TYR 158.A O no hydrogen 2.464 N/A VAL 192.A N ASP 210.A OD1 no hydrogen 2.948 N/A CYS 193.A N PHE 174.A O no hydrogen 2.861 N/A TRP 194.A N ILE 211.A O no hydrogen 2.865 N/A TRP 194.A NE1 CYS 177.A O no hydrogen 2.941 N/A ILE 195.A N SER 176.A O no hydrogen 2.836 N/A ASN 196.A N VAL 213.A O no hydrogen 2.821 N/A ASN 196.A ND2 GLY 200.A O no hydrogen 3.066 N/A ARG 197.A NH1 THR 15.A O no hydrogen 3.034 N/A ARG 197.A NH2 THR 15.A O no hydrogen 3.029 N/A GLY 200.A N ASN 196.A OD1 no hydrogen 2.871 N/A ASP 203.A N SER 179.A OG no hydrogen 3.282 N/A ILE 211.A N VAL 192.A O no hydrogen 3.114 N/A VAL 213.A N TRP 194.A O no hydrogen 3.066 N/A SER 214.A OG ASP 215.A OD2 no hydrogen 3.213 N/A VAL 216.A N ASP 100.A OD2 no hydrogen 3.057 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.278 N/A LEU 219.A N ASP 215.A O no hydrogen 3.222 N/A ALA 220.A N VAL 216.A O no hydrogen 2.817 N/A SER 221.A N GLY 217.A O no hydrogen 2.904 N/A SER 221.A OG GLY 217.A O no hydrogen 2.634 N/A SER 221.A OG VAL 218.A O no hydrogen 2.941 N/A ARG 222.A N VAL 218.A O no hydrogen 3.311 N/A ARG 222.A N LEU 219.A O no hydrogen 3.073 N/A PHE 223.A N ALA 220.A O no hydrogen 3.073 N/A