Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pyu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N HIS 2.A ND1.A no hydrogen 3.006 N/A GLN 14.A N GLY 37.A O no hydrogen 2.728 N/A GLN 14.A NE2 LYS 15.A O no hydrogen 2.730 N/A LYS 15.A NZ ASP 39.A OD2 no hydrogen 2.886 N/A VAL 16.A N ASP 39.A O no hydrogen 2.879 N/A VAL 17.A N PRO 76.A O no hydrogen 3.088 N/A LEU 18.A N VAL 41.A O no hydrogen 2.782 N/A ALA 19.A N ILE 78.A O no hydrogen 2.755 N/A THR 20.A N LEU 18.A O no hydrogen 2.848 N/A ASN 22.A N THR 20.A OG1 no hydrogen 2.942 N/A LYS 25.A NZ ASP 80.A OD2 no hydrogen 3.012 N/A VAL 26.A N ASN 22.A O no hydrogen 3.010 N/A ARG 27.A N VAL 23.A O no hydrogen 2.753 N/A GLU 28.A N GLY 24.A O no hydrogen 2.930 N/A LEU 29.A N LYS 25.A O no hydrogen 2.999 N/A ALA 30.A N VAL 26.A O no hydrogen 2.782 N/A SER 31.A N ARG 27.A O no hydrogen 3.126 N/A LEU 32.A N GLU 28.A O no hydrogen 3.158 N/A LEU 33.A N LEU 29.A O no hydrogen 2.981 N/A SER 34.A N ALA 30.A O no hydrogen 2.950 N/A PHE 36.A N LEU 33.A O no hydrogen 2.853 N/A GLY 37.A N SER 34.A O no hydrogen 2.740 N/A LEU 38.A N LEU 33.A O no hydrogen 3.168 N/A ASP 39.A N GLN 14.A O no hydrogen 2.678 N/A VAL 41.A N VAL 16.A O no hydrogen 2.941 N/A GLN 43.A N LEU 18.A O no hydrogen 2.974 N/A GLN 43.A N THR 20.A O no hydrogen 3.186 N/A LEU 46.A N GLN 43.A O no hydrogen 3.151 N/A GLY 47.A N THR 44.A O no hydrogen 2.948 N/A VAL 48.A N GLN 43.A O no hydrogen 2.896 N/A GLY 55.A N ASN 61.A OD1 no hydrogen 2.828 N/A LEU 56.A N GLU 60.A OE1 no hydrogen 3.295 N/A THR 57.A OG1 GLU 60.A OE1 no hydrogen 2.706 N/A GLU 60.A N THR 57.A OG1 no hydrogen 2.979 N/A ASN 61.A N THR 57.A O no hydrogen 3.009 N/A ASN 61.A ND2 GLY 55.A O no hydrogen 3.390 N/A ALA 62.A N PHE 58.A O no hydrogen 2.908 N/A ILE 63.A N ILE 59.A O no hydrogen 2.959 N/A LEU 64.A N GLU 60.A O no hydrogen 2.863 N/A LYS 65.A N ASN 61.A O no hydrogen 2.920 N/A LYS 65.A NZ ASP 80.A O no hydrogen 2.729 N/A LYS 65.A NZ ASP 80.A OD1 no hydrogen 3.285 N/A ALA 66.A N ALA 62.A O no hydrogen 3.056 N/A ARG 67.A N ILE 63.A O no hydrogen 2.850 N/A ARG 67.A NE ALA 140.A O no hydrogen 3.093 N/A HIS 68.A N LEU 64.A O no hydrogen 3.157 N/A HIS 68.A NE2 ASP 49.A O no hydrogen 2.742 N/A ALA 69.A N LYS 65.A O no hydrogen 3.154 N/A ALA 70.A N ALA 66.A O no hydrogen 2.954 N/A LYS 71.A N ARG 67.A O no hydrogen 2.798 N/A VAL 72.A N HIS 68.A O no hydrogen 3.020 N/A THR 73.A N ALA 69.A O no hydrogen 3.096 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.719 N/A ALA 74.A N ALA 70.A O no hydrogen 2.774 N/A LEU 75.A N THR 73.A OG1 no hydrogen 2.953 N/A ALA 77.A N LEU 137.A O no hydrogen 2.888 N/A ILE 78.A N VAL 17.A O no hydrogen 2.988 N/A ALA 79.A N VAL 135.A O no hydrogen 3.028 N/A ALA 81.A N VAL 133.A O no hydrogen 2.835 N/A GLY 83.A N HIS 131.A O no hydrogen 3.124 N/A LEU 84.A N SER 97.A OG no hydrogen 2.886 N/A ALA 85.A N ARG 129.A O no hydrogen 2.902 N/A VAL 86.A N ALA 92.A O no hydrogen 2.763 N/A ASP 87.A N GLN 127.A O no hydrogen 3.199 N/A LEU 89.A N VAL 86.A O no hydrogen 3.021 N/A GLY 90.A N ASP 87.A O no hydrogen 3.008 N/A GLY 91.A N VAL 86.A O no hydrogen 2.932 N/A ALA 92.A N LEU 89.A O no hydrogen 3.285 N/A GLY 94.A N LEU 84.A O no hydrogen 2.798 N/A TYR 96.A N PRO 93.A O no hydrogen 2.963 N/A SER 97.A N GLY 94.A O no hydrogen 3.033 N/A SER 97.A OG GLY 94.A O no hydrogen 2.613 N/A ARG 99.A N TYR 96.A O no hydrogen 3.097 N/A TYR 100.A OH THR 117.A OG1 no hydrogen 3.029 N/A SER 101.A N ASN 110.A OD1 no hydrogen 2.902 N/A SER 101.A OG ASN 110.A OD1 no hydrogen 2.851 N/A GLY 102.A N ARG 99.A O no hydrogen 2.835 N/A ALA 105.A N GLY 102.A O no hydrogen 3.143 N/A LYS 109.A N THR 106.A OG1 no hydrogen 3.142 N/A LYS 109.A NZ ASP 104.A O no hydrogen 2.801 N/A ASN 110.A N THR 106.A O no hydrogen 2.866 N/A ASN 110.A ND2 ALA 98.A O no hydrogen 2.882 N/A LEU 111.A N ASP 107.A O no hydrogen 2.815 N/A GLN 112.A N GLN 108.A O no hydrogen 2.828 N/A GLN 112.A NE2 GLN 108.A OE1 no hydrogen 2.747 N/A LYS 113.A N LYS 109.A O no hydrogen 2.931 N/A LYS 113.A NZ TYR 100.A O no hydrogen 2.955 N/A LEU 114.A N ASN 110.A O no hydrogen 3.061 N/A LEU 115.A N LEU 111.A O no hydrogen 2.993 N/A GLU 116.A N GLN 112.A O no hydrogen 3.081 N/A THR 117.A N LYS 113.A O no hydrogen 2.798 N/A THR 117.A OG1 TYR 100.A OH no hydrogen 3.029 N/A THR 117.A OG1 LYS 113.A O no hydrogen 2.759 N/A MET 118.A N LEU 114.A O no hydrogen 2.899 N/A MET 118.A N LEU 115.A O no hydrogen 3.176 N/A LYS 119.A N GLU 116.A O no hydrogen 3.343 N/A LYS 119.A NZ GLU 116.A OE2 no hydrogen 2.905 N/A VAL 121.A N MET 118.A O no hydrogen 2.901 N/A GLN 125.A N PRO 122.A O no hydrogen 2.938 N/A ARG 126.A NE ILE 156.A O no hydrogen 2.706 N/A ARG 126.A NH1 MET 118.A O no hydrogen 2.756 N/A ARG 126.A NH1 VAL 121.A O no hydrogen 3.220 N/A ARG 126.A NH2 THR 157.A O no hydrogen 2.734 N/A GLN 127.A NE2 ASP 124.A O no hydrogen 3.084 N/A ALA 128.A N GLY 154.A O no hydrogen 3.102 N/A ARG 129.A N ALA 85.A O no hydrogen 3.077 N/A ARG 129.A NH1 SER 151.A OG no hydrogen 3.070 N/A PHE 130.A N TRP 152.A O no hydrogen 2.989 N/A HIS 131.A N GLY 83.A O no hydrogen 2.840 N/A HIS 131.A ND1 HIS 149.A NE2 no hydrogen 2.815 N/A CYS 132.A N GLY 150.A O no hydrogen 2.939 N/A CYS 132.A SG SER 82.A OG no hydrogen 3.666 N/A VAL 133.A N ALA 81.A O no hydrogen 2.754 N/A LEU 134.A N CYS 148.A O no hydrogen 2.826 N/A VAL 135.A N ALA 79.A O no hydrogen 2.780 N/A TYR 136.A N LEU 146.A O no hydrogen 2.784 N/A TYR 136.A OH LEU 6.A O no hydrogen 2.597 N/A LEU 137.A N ALA 77.A O no hydrogen 2.820 N/A ARG 138.A N ASP 142.A OD2 no hydrogen 2.915 N/A ARG 138.A NE SER 4.A O no hydrogen 2.760 N/A ARG 138.A NH1 ASP 142.A OD1 no hydrogen 3.488 N/A ARG 138.A NH1 ASP 142.A OD2 no hydrogen 2.817 N/A ARG 138.A NH1 THR 144.A O no hydrogen 2.903 N/A ARG 138.A NH2 HIS 2.A ND1.A no hydrogen 2.913 N/A GLU 141.A N HIS 139.A ND1 no hydrogen 3.331 N/A ASP 142.A N HIS 139.A O no hydrogen 2.904 N/A THR 144.A N ASP 142.A OD1 no hydrogen 2.957 N/A THR 144.A OG1 ASP 142.A OD1 no hydrogen 3.420 N/A LEU 146.A N TYR 136.A O no hydrogen 3.078 N/A CYS 148.A N LEU 134.A O no hydrogen 2.737 N/A HIS 149.A NE2 HIS 131.A ND1 no hydrogen 2.815 N/A GLY 150.A N CYS 132.A O no hydrogen 2.836 N/A TRP 152.A N PHE 130.A O no hydrogen 2.884 N/A GLY 154.A N ALA 128.A O no hydrogen 2.859 N/A VAL 155.A N PHE 173.A O no hydrogen 2.790 N/A ILE 156.A N ARG 126.A O no hydrogen 2.944 N/A THR 157.A N ILE 171.A O no hydrogen 2.868 N/A THR 157.A OG1 GLU 159.A O no hydrogen 2.837 N/A THR 157.A OG1 ILE 171.A O no hydrogen 3.328 N/A ARG 158.A NE ASP 123.A OD1 no hydrogen 2.873 N/A ARG 158.A NH1 LYS 119.A O no hydrogen 3.191 N/A ARG 158.A NH2 VAL 121.A O no hydrogen 2.773 N/A ARG 158.A NH2 ASP 123.A OD1 no hydrogen 2.575 N/A ALA 161.A N PRO 170.A O no hydrogen 3.053 N/A GLY 164.A N ALA 182.A O no hydrogen 2.876 N/A PHE 166.A N ASP 169.A OD2 no hydrogen 2.967 N/A GLY 167.A N ASP 107.A OD2 no hydrogen 2.962 N/A TYR 168.A OH SER 97.A O no hydrogen 2.682 N/A ASP 169.A N PHE 166.A O no hydrogen 3.187 N/A ILE 171.A N TYR 168.A O no hydrogen 2.842 N/A PHE 172.A N ASP 169.A O no hydrogen 3.226 N/A PHE 173.A N VAL 155.A O no hydrogen 2.723 N/A VAL 174.A N LYS 179.A O no hydrogen 2.846 N/A SER 176.A OG GLU 177.A OE2 no hydrogen 3.351 N/A GLU 177.A N VAL 174.A O no hydrogen 2.755 N/A GLY 178.A N PRO 175.A O no hydrogen 3.137 N/A THR 180.A N GLU 183.A OE1 no hydrogen 2.892 N/A THR 180.A OG1 ALA 161.A O no hydrogen 2.740 N/A THR 180.A OG1 GLU 183.A OE1 no hydrogen 3.497 N/A ALA 181.A N PHE 172.A O no hydrogen 2.748 N/A ALA 182.A N ASP 169.A O no hydrogen 3.155 N/A GLU 183.A N THR 180.A O no hydrogen 2.979 N/A LEU 184.A N ALA 181.A O no hydrogen 3.281 N/A THR 185.A N GLU 188.A OE1 no hydrogen 2.789 N/A GLU 188.A N THR 185.A OG1 no hydrogen 3.130 N/A LYS 189.A N THR 185.A O no hydrogen 2.781 N/A LYS 189.A NZ ASP 169.A OD1 no hydrogen 3.521 N/A LYS 189.A NZ ASP 169.A OD2 no hydrogen 2.702 N/A SER 190.A N ARG 186.A O no hydrogen 2.832 N/A SER 190.A OG ARG 186.A O no hydrogen 2.852 N/A ALA 191.A N GLU 187.A O no hydrogen 3.270 N/A ILE 192.A N LYS 189.A O no hydrogen 2.940 N/A HIS 194.A N HIS 194.A ND1 no hydrogen 2.725 N/A ARG 195.A NE GLU 28.A OE1 no hydrogen 2.947 N/A ARG 195.A NH1 ASP 80.A OD2 no hydrogen 2.589 N/A ARG 195.A NH2 GLU 28.A OE1 no hydrogen 3.511 N/A GLY 196.A N SER 193.A OG no hydrogen 3.219 N/A GLN 197.A N SER 193.A O no hydrogen 2.908 N/A GLN 197.A NE2 ILE 192.A O no hydrogen 3.044 N/A GLN 197.A NE2 SER 193.A O no hydrogen 3.537 N/A ALA 198.A N HIS 194.A O no hydrogen 3.041 N/A LEU 199.A N ARG 195.A O no hydrogen 2.951 N/A LYS 200.A N GLY 196.A O no hydrogen 3.021 N/A LYS 200.A NZ ALA 191.A O no hydrogen 3.310 N/A LEU 201.A N GLN 197.A O no hydrogen 2.890 N/A LEU 202.A N ALA 198.A O no hydrogen 2.912 N/A LEU 203.A N LEU 199.A O no hydrogen 2.841 N/A ASP 204.A N LYS 200.A O no hydrogen 2.925 N/A ALA 205.A N LEU 201.A O no hydrogen 2.716 N/A LEU 206.A N LEU 202.A O no hydrogen 3.006 N/A