Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pyu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N HIS 1.A ND1 no hydrogen 2.914 N/A HIS 1.A N TYR 164.A OH no hydrogen 3.103 N/A THR 2.A OG1 TYR 65.A O no hydrogen 3.086 N/A THR 2.A OG1 ILE 73.A O no hydrogen 2.875 N/A LEU 3.A N TYR 65.A O no hydrogen 2.967 N/A TRP 5.A N GLU 63.A O no hydrogen 2.751 N/A VAL 7.A N TYR 21.A OH no hydrogen 2.897 N/A TRP 8.A N THR 61.A O no hydrogen 2.826 N/A TRP 8.A NE1 GLU 63.A OE1 no hydrogen 2.845 N/A VAL 9.A N VAL 12.A O no hydrogen 2.866 N/A ASN 10.A N THR 59.A O no hydrogen 2.841 N/A ASN 10.A ND2 ASP 58.A OD1 no hydrogen 2.989 N/A VAL 12.A N VAL 9.A O no hydrogen 2.923 N/A GLN 14.A N VAL 7.A O no hydrogen 2.860 N/A GLN 14.A NE2 VAL 12.A O no hydrogen 2.994 N/A GLY 15.A N ASP 13.A OD1 no hydrogen 2.828 N/A GLY 17.A N TRP 5.A O no hydrogen 2.850 N/A ARG 18.A N ASP 16.A OD1 no hydrogen 3.017 N/A ARG 18.A NE ASP 16.A OD1 no hydrogen 2.899 N/A ARG 18.A NH1 TYR 65.A OH no hydrogen 3.204 N/A ARG 18.A NH2 ASP 16.A OD2 no hydrogen 2.776 N/A ASN 19.A N ILE 22.A O no hydrogen 3.269 N/A ASN 19.A N SER 24.A OG no hydrogen 3.098 N/A ILE 20.A N GLY 17.A O no hydrogen 2.878 N/A TYR 21.A N GLY 17.A O no hydrogen 2.963 N/A TYR 21.A OH GLY 15.A O no hydrogen 2.566 N/A ILE 22.A N GLY 17.A O no hydrogen 2.950 N/A ARG 23.A N CYS 167.A O no hydrogen 2.929 N/A ARG 23.A NE GLN 169.A OE1 no hydrogen 2.843 N/A ARG 23.A NH1 ASN 45.A OD1 no hydrogen 2.824 N/A ARG 23.A NH1 ASN 92.A OD1 no hydrogen 2.773 N/A ARG 23.A NH2 GLN 169.A OE1 no hydrogen 3.083 N/A SER 24.A OG ILE 22.A O no hydrogen 3.433 N/A ASN 28.A ND2 HIS 66.A O no hydrogen 3.016 N/A VAL 31.A N PHE 163.A O no hydrogen 2.916 N/A LYS 32.A NZ.A PRO 157.A O no hydrogen 3.007 N/A LYS 32.A NZ.A ARG 159.A O.A no hydrogen 3.245 N/A LYS 32.A NZ.A ARG 159.A O.B no hydrogen 2.870 N/A THR 35.A N ASN 33.A OD1 no hydrogen 3.192 N/A THR 35.A OG1 ASN 33.A OD1 no hydrogen 3.256 N/A SER 36.A N ASN 33.A O no hydrogen 2.940 N/A ASP 38.A N SER 36.A OG no hydrogen 2.946 N/A MET 39.A N SER 36.A O no hydrogen 2.979 N/A THR 40.A N PRO 37.A O no hydrogen 3.173 N/A THR 40.A OG1 PRO 37.A O no hydrogen 3.153 N/A THR 40.A OG1 PHE 187.A O no hydrogen 2.644 N/A ASN 42.A N ASP 38.A O no hydrogen 2.764 N/A ASN 42.A ND2 ILE 165.A O no hydrogen 2.982 N/A VAL 43.A N ASN 42.A OD1 no hydrogen 2.794 N/A ASN 45.A ND2 ASN 92.A O no hydrogen 3.365 N/A ASN 45.A ND2 ASN 92.A OD1 no hydrogen 3.543 N/A ARG 46.A NH1 SER 24.A O no hydrogen 2.904 N/A ARG 46.A NH1 ASP 44.A O no hydrogen 2.944 N/A ARG 46.A NH2 ASN 19.A OD1 no hydrogen 2.807 N/A VAL 48.A N GLN 169.A OE1 no hydrogen 3.013 N/A LYS 50.A N.A ILE 20.A O no hydrogen 2.920 N/A LYS 50.A N.B ILE 20.A O no hydrogen 2.939 N/A LYS 50.A N.C ILE 20.A O no hydrogen 2.938 N/A SER 51.A OG THR 171.A OG1 no hydrogen 2.769 N/A VAL 52.A N GLN 169.A O no hydrogen 2.945 N/A VAL 54.A N THR 171.A O no hydrogen 2.813 N/A ASN 55.A N ASP 58.A OD2 no hydrogen 2.822 N/A ALA 56.A N SER 174.A O.A no hydrogen 2.897 N/A ALA 56.A N SER 174.A O.B no hydrogen 2.821 N/A GLY 57.A N VAL 129.A O no hydrogen 2.859 N/A ASP 58.A N ASN 55.A O no hydrogen 3.056 N/A THR 59.A N ASN 10.A OD1 no hydrogen 2.853 N/A LEU 60.A N VAL 127.A O no hydrogen 2.859 N/A THR 61.A N TRP 8.A O no hydrogen 2.913 N/A THR 61.A OG1 SER 126.A OG no hydrogen 2.740 N/A PHE 62.A N HIS 125.A O no hydrogen 2.827 N/A GLU 63.A N GLY 6.A O no hydrogen 2.981 N/A TRP 64.A N GLY 123.A O no hydrogen 2.825 N/A TYR 65.A N LEU 3.A O no hydrogen 2.840 N/A HIS 66.A N ASP 71.A OD1 no hydrogen 2.986 N/A HIS 66.A ND1 ASP 72.A OD1.A no hydrogen 3.096 N/A HIS 66.A ND1 ASP 72.A OD1.B no hydrogen 2.751 N/A HIS 66.A ND1 ASP 72.A OD2.A no hydrogen 2.673 N/A ASN 67.A N ASP 71.A OD2 no hydrogen 2.683 N/A THR 68.A N ASP 71.A OD2 no hydrogen 2.960 N/A ARG 69.A NE GLU 63.A OE2 no hydrogen 2.888 N/A ARG 69.A NH1 ASP 13.A OD2 no hydrogen 3.452 N/A ARG 69.A NH1 GLU 235.A OE1 no hydrogen 2.977 N/A ARG 69.A NH2 ASP 13.A OD2 no hydrogen 2.879 N/A ARG 69.A NH2 GLU 63.A OE1 no hydrogen 2.900 N/A ILE 73.A N ASP 71.A OD1 no hydrogen 2.948 N/A ILE 74.A N ASP 72.A O.A no hydrogen 2.966 N/A ILE 74.A N ASP 72.A O.B no hydrogen 2.764 N/A SER 77.A OG HIS 78.A ND1 no hydrogen 2.823 N/A HIS 78.A N ALA 75.A O no hydrogen 2.965 N/A HIS 78.A ND1 SER 77.A OG no hydrogen 2.823 N/A HIS 79.A ND1 ASP 116.A OD1 no hydrogen 2.656 N/A ILE 82.A N ASP 104.A O no hydrogen 2.827 N/A ALA 83.A N GLU 142.A O no hydrogen 2.904 N/A VAL 84.A N PHE 102.A O no hydrogen 3.148 N/A TYR 85.A N ARG 140.A O no hydrogen 2.853 N/A TYR 85.A OH TYR 191.A OH no hydrogen 2.717 N/A ILE 86.A N VAL 99.A O no hydrogen 2.832 N/A ALA 87.A N LEU 138.A O no hydrogen 2.985 N/A ALA 89.A N ASP 136.A O no hydrogen 2.883 N/A SER 91.A N PRO 88.A O no hydrogen 3.170 N/A SER 91.A OG PRO 88.A O no hydrogen 2.647 N/A ASN 92.A N ALA 89.A O no hydrogen 2.901 N/A GLY 93.A N SER 91.A OG no hydrogen 2.957 N/A GLN 94.A N SER 91.A O no hydrogen 2.909 N/A TRP 98.A N VAL 185.A O no hydrogen 2.936 N/A TRP 98.A NE1 GLY 93.A O no hydrogen 2.993 N/A VAL 99.A N ILE 86.A O no hydrogen 2.934 N/A LYS 100.A NZ GLU 103.A OE1 no hydrogen 2.749 N/A LYS 100.A NZ PRO 213.A O no hydrogen 3.031 N/A LYS 100.A NZ PRO 215.A O no hydrogen 2.761 N/A LEU 101.A N VAL 84.A O no hydrogen 2.784 N/A PHE 102.A N VAL 84.A O no hydrogen 3.321 N/A ASP 104.A N ILE 82.A O no hydrogen 2.947 N/A ASN 107.A N THR 112.A O no hydrogen 2.841 N/A ASN 110.A N.A ASN 107.A OD1 no hydrogen 2.826 N/A ASN 110.A N.B ASN 107.A OD1 no hydrogen 2.922 N/A SER 111.A N VAL 108.A O no hydrogen 3.322 N/A THR 112.A N ASN 107.A O no hydrogen 3.302 N/A THR 112.A OG1 ASN 110.A OD1.A no hydrogen 2.699 N/A TRP 113.A N ASP 116.A OD2 no hydrogen 2.928 N/A ALA 114.A N ALA 105.A O no hydrogen 2.890 N/A VAL 115.A N GLY 80.A O no hydrogen 3.198 N/A ARG 117.A N TRP 113.A O no hydrogen 3.196 N/A ARG 117.A NE THR 112.A OG1 no hydrogen 2.737 N/A ARG 117.A NH1 ASP 104.A OD1 no hydrogen 3.497 N/A ARG 117.A NH1 ASP 104.A OD2 no hydrogen 2.887 N/A ARG 117.A NH2 ASP 104.A OD1 no hydrogen 2.849 N/A ARG 117.A NH2 THR 112.A O no hydrogen 3.132 N/A LEU 118.A N ALA 114.A O no hydrogen 2.781 N/A ILE 119.A N VAL 115.A O no hydrogen 3.073 N/A THR 120.A N ASP 116.A O no hydrogen 3.352 N/A THR 120.A OG1 ASP 116.A O no hydrogen 3.353 N/A ALA 121.A N ARG 117.A O no hydrogen 2.897 N/A HIS 122.A N ILE 119.A O no hydrogen 2.961 N/A HIS 122.A ND1 ASP 70.A OD1 no hydrogen 2.723 N/A GLY 123.A N LEU 118.A O no hydrogen 2.847 N/A GLN 124.A N ALA 121.A O no hydrogen 3.190 N/A GLN 124.A NE2 GLY 230.A O no hydrogen 2.901 N/A HIS 125.A N PHE 62.A O no hydrogen 3.174 N/A SER 126.A N SER 225.A O no hydrogen 2.792 N/A SER 126.A OG THR 61.A OG1 no hydrogen 2.740 N/A VAL 127.A N LEU 60.A O no hydrogen 2.845 N/A VAL 128.A N GLY 223.A O no hydrogen 3.013 N/A VAL 129.A N ASP 58.A O no hydrogen 2.829 N/A HIS 131.A ND1 ASP 176.A OD1 no hydrogen 2.755 N/A GLY 135.A N ILE 172.A O no hydrogen 2.925 N/A TYR 137.A N ILE 170.A O no hydrogen 2.793 N/A TYR 137.A OH ALA 133.A O no hydrogen 2.599 N/A LEU 138.A N ALA 87.A O no hydrogen 2.852 N/A PHE 139.A N ALA 168.A O no hydrogen 2.941 N/A ARG 140.A N TYR 85.A O no hydrogen 2.802 N/A ARG 140.A NE MET 39.A O no hydrogen 3.268 N/A ARG 140.A NE THR 40.A O no hydrogen 2.824 N/A ARG 140.A NH1 GLU 142.A OE2 no hydrogen 2.844 N/A ARG 140.A NH2 MET 39.A O no hydrogen 2.790 N/A ARG 140.A NH2 GLU 142.A OE2 no hydrogen 2.908 N/A ALA 141.A N SER 166.A O no hydrogen 2.844 N/A GLU 142.A N ALA 83.A O no hydrogen 2.901 N/A ILE 143.A N TYR 164.A O no hydrogen 2.933 N/A ILE 144.A N PRO 81.A O no hydrogen 3.042 N/A ALA 145.A N GLN 162.A O no hydrogen 2.824 N/A LEU 146.A N HIS 79.A O no hydrogen 2.792 N/A ALA 149.A N LEU 146.A O no hydrogen 3.060 N/A SER 154.A OG ASP 193.A OD2 no hydrogen 2.663 N/A GLN 155.A N.A LEU 152.A O no hydrogen 2.862 N/A GLN 155.A N.B LEU 152.A O no hydrogen 2.866 N/A ASN 156.A N LEU 152.A O no hydrogen 2.896 N/A ILE 158.A N.A ASN 156.A OD1 no hydrogen 2.970 N/A ILE 158.A N.B ASN 156.A OD1 no hydrogen 3.028 N/A ARG 159.A N.A ASN 156.A O no hydrogen 2.935 N/A ARG 159.A N.B ASN 156.A O no hydrogen 3.008 N/A ARG 159.A NE.A ASP 150.A OD1.A no hydrogen 3.311 N/A ARG 159.A NE.B SER 151.A OG no hydrogen 2.725 N/A ARG 159.A NH2.A ASP 150.A OD1.A no hydrogen 2.605 N/A GLY 160.A N GLU 148.A O no hydrogen 2.869 N/A GLN 162.A N ALA 145.A O no hydrogen 3.054 N/A PHE 163.A N VAL 31.A O no hydrogen 2.808 N/A TYR 164.A N ILE 143.A O no hydrogen 2.832 N/A TYR 164.A OH HIS 1.A ND1 no hydrogen 3.320 N/A TYR 164.A OH HIS 78.A NE2 no hydrogen 3.414 N/A TYR 164.A OH GLN 162.A OE1 no hydrogen 2.655 N/A SER 166.A N ALA 141.A O no hydrogen 2.928 N/A CYS 167.A SG THR 40.A O no hydrogen 3.704 N/A ALA 168.A N PHE 139.A O no hydrogen 2.830 N/A GLN 169.A N TYR 21.A O no hydrogen 2.835 N/A GLN 169.A NE2 VAL 48.A O no hydrogen 2.925 N/A GLN 169.A NE2 LYS 50.A O.A no hydrogen 2.915 N/A GLN 169.A NE2 LYS 50.A O.B no hydrogen 2.770 N/A GLN 169.A NE2 LYS 50.A O.C no hydrogen 3.003 N/A ILE 170.A N TYR 137.A O no hydrogen 3.003 N/A THR 171.A N VAL 52.A O no hydrogen 2.817 N/A THR 171.A OG1 SER 51.A OG no hydrogen 2.769 N/A THR 171.A OG1 ASP 136.A OD1 no hydrogen 2.699 N/A ILE 172.A N GLY 135.A O no hydrogen 2.837 N/A ASN 173.A N VAL 54.A O no hydrogen 2.871 N/A SER 174.A N.A ASN 55.A OD1 no hydrogen 2.964 N/A SER 174.A N.B ASN 55.A OD1 no hydrogen 2.951 N/A SER 175.A OG VAL 132.A O no hydrogen 2.535 N/A ASP 177.A N SER 175.A OG no hydrogen 3.275 N/A SER 178.A N ASP 176.A OD1 no hydrogen 3.086 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 3.192 N/A THR 179.A N HIS 131.A O no hydrogen 2.989 N/A THR 179.A OG1 HIS 131.A O no hydrogen 3.156 N/A GLY 184.A N ASN 96.A O no hydrogen 2.899 N/A VAL 185.A N TRP 98.A O no hydrogen 2.916 N/A ALA 190.A N PRO 186.A O no hydrogen 2.827 N/A TYR 191.A OH TYR 85.A OH no hydrogen 2.717 N/A TYR 191.A OH GLU 142.A OE1 no hydrogen 2.538 N/A THR 192.A N THR 195.A OG1 no hydrogen 2.772 N/A THR 192.A OG1 SER 194.A OG no hydrogen 3.163 N/A THR 192.A OG1 THR 195.A OG1 no hydrogen 3.234 N/A SER 194.A N THR 192.A OG1 no hydrogen 3.227 N/A SER 194.A OG THR 192.A OG1 no hydrogen 3.163 N/A THR 195.A N THR 192.A O no hydrogen 2.975 N/A THR 195.A OG1 THR 192.A O no hydrogen 3.198 N/A THR 195.A OG1 THR 192.A OG1 no hydrogen 3.234 N/A ILE 198.A N THR 195.A O no hydrogen 3.336 N/A GLN 199.A NE2 ASP 150.A O.A no hydrogen 3.016 N/A GLN 199.A NE2 ASP 150.A O.B no hydrogen 2.859 N/A PHE 200.A N ALA 149.A O no hydrogen 2.883 N/A TYR 203.A N.A ASN 201.A OD1 no hydrogen 2.873 N/A TYR 203.A N.B ASN 201.A OD1 no hydrogen 2.866 N/A TYR 203.A OH.A HIS 147.A O no hydrogen 2.787 N/A THR 204.A N ASN 201.A OD1 no hydrogen 3.056 N/A THR 205.A N ASN 201.A O no hydrogen 2.798 N/A THR 205.A OG1 ASN 201.A O no hydrogen 3.469 N/A SER 209.A N PRO 206.A O no hydrogen 2.913 N/A TYR 210.A N ALA 207.A O no hydrogen 3.081 N/A TYR 210.A OH GLY 197.A O no hydrogen 2.725 N/A TRP 218.A N LYS 100.A O no hydrogen 2.909 N/A ALA 221.A N TRP 218.A O no hydrogen 3.037 N/A SER 225.A N SER 126.A O no hydrogen 3.058 N/A ALA 227.A N GLN 124.A O no hydrogen 3.156 N/A GLN 228.A NE2 GLY 230.A O no hydrogen 3.349 N/A VAL 229.A N.A GLN 124.A OE1 no hydrogen 2.741 N/A VAL 229.A N.B GLN 124.A OE1 no hydrogen 2.761 N/A GLY 230.A N GLN 124.A OE1 no hydrogen 3.007 N/A SER 233.A N ASP 231.A OD1 no hydrogen 2.946 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.490 N/A LEU 234.A N ASP 231.A O no hydrogen 3.258 N/A GLU 235.A N ALA 232.A O no hydrogen 3.181 N/A