Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ TRP 35.A O no hydrogen 2.398 N/A GLN 4.A N THR 1.A OG1 no hydrogen 3.022 N/A ARG 5.A N THR 1.A O no hydrogen 3.017 N/A ARG 5.A NH1 GLU 34.A OE2 no hydrogen 3.485 N/A ILE 6.A N LYS 2.A O no hydrogen 3.066 N/A LEU 7.A N GLU 3.A O no hydrogen 3.069 N/A ARG 8.A N GLN 4.A O no hydrogen 2.884 N/A TYR 9.A N ARG 5.A O no hydrogen 2.894 N/A VAL 10.A N ILE 6.A O no hydrogen 3.015 N/A GLN 11.A N LEU 7.A O no hydrogen 3.007 N/A GLN 12.A N ARG 8.A O no hydrogen 3.077 N/A ASN 13.A N TYR 9.A O no hydrogen 2.962 N/A ASN 13.A N VAL 10.A O no hydrogen 3.126 N/A ASN 13.A ND2 TYR 9.A O no hydrogen 2.780 N/A ALA 14.A N VAL 10.A O no hydrogen 2.741 N/A LYS 15.A N SER 21.A OG no hydrogen 3.273 N/A GLY 17.A N PHE 102.A O no hydrogen 2.838 N/A ASP 18.A N LYS 15.A O no hydrogen 3.308 N/A GLN 20.A N ASP 18.A OD1 no hydrogen 2.941 N/A SER 21.A N ASP 18.A OD1 no hydrogen 3.301 N/A SER 21.A OG LYS 15.A O no hydrogen 3.270 N/A SER 21.A OG ASP 18.A O no hydrogen 2.697 N/A VAL 22.A N ASP 18.A O no hydrogen 3.248 N/A LEU 23.A N PRO 19.A O no hydrogen 3.116 N/A GLU 24.A N GLN 20.A O no hydrogen 2.919 N/A ALA 25.A N SER 21.A O no hydrogen 2.908 N/A ILE 26.A N VAL 22.A O no hydrogen 2.951 N/A ASP 27.A N LEU 23.A O no hydrogen 2.916 N/A THR 28.A N GLU 24.A O no hydrogen 2.880 N/A THR 28.A OG1 GLU 24.A O no hydrogen 2.801 N/A TYR 29.A N ALA 25.A O no hydrogen 3.064 N/A TYR 29.A OH GLU 34.A OE2 no hydrogen 2.308 N/A CYS 30.A N ILE 26.A O no hydrogen 3.206 N/A CYS 30.A SG ILE 26.A O no hydrogen 3.232 N/A CYS 30.A SG GLU 34.A O no hydrogen 3.502 N/A THR 31.A N ASP 27.A O no hydrogen 2.908 N/A THR 31.A OG1 ASP 27.A O no hydrogen 2.849 N/A GLN 32.A N THR 28.A O no hydrogen 2.865 N/A LYS 33.A N TYR 29.A O no hydrogen 2.625 N/A GLU 34.A N TYR 29.A O no hydrogen 3.178 N/A TRP 35.A NE1 GLU 196.A O no hydrogen 2.879 N/A ASN 38.A ND2 TYR 197.A OH no hydrogen 3.289 N/A LYS 43.A NZ ASP 166.A OD1 no hydrogen 2.897 N/A LYS 43.A NZ ASP 166.A OD2 no hydrogen 3.456 N/A LYS 43.A NZ GLU 196.A OE1 no hydrogen 2.685 N/A LYS 43.A NZ ASP 202.A OD2 no hydrogen 2.760 N/A GLY 44.A N GLY 40.A O no hydrogen 2.890 N/A GLN 45.A N ASP 41.A O no hydrogen 2.834 N/A GLN 45.A NE2 ASP 41.A OD2 no hydrogen 2.903 N/A ILE 46.A N LYS 43.A O no hydrogen 2.902 N/A MET 47.A N LYS 43.A O no hydrogen 2.975 N/A ASP 48.A N GLY 44.A O no hydrogen 2.765 N/A ALA 49.A N GLN 45.A O no hydrogen 3.184 N/A VAL 50.A N ILE 46.A O no hydrogen 2.930 N/A ILE 51.A N MET 47.A O no hydrogen 2.745 N/A ARG 52.A N ASP 48.A O no hydrogen 2.792 N/A GLU 53.A N ALA 49.A O no hydrogen 3.029 N/A TYR 54.A N VAL 50.A O no hydrogen 3.200 N/A TYR 54.A N ILE 51.A O no hydrogen 3.259 N/A SER 55.A N ILE 51.A O no hydrogen 2.960 N/A SER 57.A N ASP 133.A OD2 no hydrogen 3.062 N/A LEU 58.A N ASP 133.A OD2 no hydrogen 2.894 N/A VAL 59.A N ARG 82.A O no hydrogen 2.872 N/A LEU 60.A N MET 134.A O no hydrogen 2.872 N/A GLU 61.A N LEU 84.A O no hydrogen 2.650 N/A LEU 62.A N PHE 136.A O no hydrogen 2.794 N/A GLY 63.A N MET 86.A O no hydrogen 2.754 N/A ALA 64.A N GLU 87.A OE1 no hydrogen 3.166 N/A TYR 65.A N GLU 87.A OE1 no hydrogen 2.824 N/A TYR 65.A OH GLU 3.A OE2 no hydrogen 2.419 N/A GLY 67.A N ALA 64.A O no hydrogen 2.882 N/A TYR 68.A OH ASP 27.A OD2 no hydrogen 2.831 N/A SER 69.A OG GLU 61.A OE2 no hydrogen 2.267 N/A VAL 71.A N GLY 67.A O no hydrogen 2.743 N/A ARG 72.A N TYR 68.A O no hydrogen 2.890 N/A ARG 72.A NH1 ASP 48.A OD2 no hydrogen 2.691 N/A ARG 72.A NH2 ASP 41.A OD1 no hydrogen 3.062 N/A ARG 72.A NH2 TYR 68.A OH no hydrogen 2.784 N/A MET 73.A N SER 69.A O no hydrogen 2.657 N/A ALA 74.A N ALA 70.A O no hydrogen 2.761 N/A ARG 75.A N VAL 71.A O no hydrogen 3.242 N/A ARG 75.A NH1 ASP 48.A OD1 no hydrogen 3.051 N/A ARG 75.A NH1 ASP 48.A OD2 no hydrogen 3.370 N/A ARG 75.A NH1 ARG 72.A O no hydrogen 2.584 N/A ARG 75.A NH2 ASP 48.A OD2 no hydrogen 2.745 N/A LEU 76.A N MET 73.A O no hydrogen 2.876 N/A LEU 77.A N ALA 74.A O no hydrogen 2.956 N/A ALA 81.A N GLN 78.A O no hydrogen 3.224 N/A ARG 82.A N SER 57.A O no hydrogen 2.665 N/A ARG 82.A NH1 TYR 127.A O no hydrogen 3.514 N/A ARG 82.A NH2 TYR 127.A O no hydrogen 3.330 N/A LEU 83.A N LYS 108.A O no hydrogen 2.864 N/A LEU 84.A N VAL 59.A O no hydrogen 2.675 N/A THR 85.A N THR 110.A O no hydrogen 2.851 N/A THR 85.A OG1 GLU 61.A OE1 no hydrogen 2.465 N/A MET 86.A N GLU 61.A O no hydrogen 2.796 N/A GLU 87.A N LEU 112.A O no hydrogen 3.021 N/A ASN 89.A N GLU 87.A OE2 no hydrogen 2.849 N/A ASP 91.A N ASN 89.A OD1 no hydrogen 3.030 N/A TYR 92.A N ASN 89.A OD1 no hydrogen 3.389 N/A ALA 93.A N ASN 89.A O no hydrogen 2.940 N/A ALA 94.A N PRO 90.A O no hydrogen 3.054 N/A ILE 95.A N ASP 91.A O no hydrogen 3.046 N/A THR 96.A N TYR 92.A O no hydrogen 2.859 N/A THR 96.A OG1 TYR 65.A O no hydrogen 2.576 N/A THR 96.A OG1 TYR 92.A O no hydrogen 2.968 N/A GLN 97.A N ALA 93.A O no hydrogen 3.084 N/A GLN 97.A NE2 GLN 97.A O no hydrogen 3.232 N/A GLN 97.A NE2 ASN 101.A OD1 no hydrogen 2.807 N/A GLN 98.A N ALA 94.A O no hydrogen 3.231 N/A MET 99.A N ILE 95.A O no hydrogen 2.910 N/A LEU 100.A N THR 96.A O no hydrogen 2.950 N/A ASN 101.A N GLN 97.A O no hydrogen 2.724 N/A PHE 102.A N GLN 98.A O no hydrogen 2.871 N/A ALA 103.A N MET 99.A O no hydrogen 2.888 N/A GLY 104.A N ASN 101.A O no hydrogen 3.153 N/A LEU 105.A N LEU 100.A O no hydrogen 2.872 N/A GLN 106.A NE2 ASP 107.A OD2 no hydrogen 3.570 N/A LYS 108.A N LEU 105.A O no hydrogen 3.069 N/A LYS 108.A NZ LEU 77.A O no hydrogen 3.492 N/A LYS 108.A NZ GLN 78.A O no hydrogen 2.959 N/A THR 110.A N LEU 83.A O no hydrogen 2.932 N/A LEU 112.A N THR 85.A O no hydrogen 2.691 N/A GLY 114.A N GLU 87.A O no hydrogen 3.275 N/A SER 116.A OG GLN 117.A OE1 no hydrogen 3.391 N/A SER 116.A OG ASP 147.A OD2 no hydrogen 2.252 N/A GLN 117.A N GLN 117.A OE1 no hydrogen 2.695 N/A ASP 118.A N ALA 115.A O no hydrogen 2.937 N/A LEU 119.A N ALA 115.A O no hydrogen 2.866 N/A ILE 120.A N SER 116.A O no hydrogen 2.843 N/A GLN 122.A N LEU 119.A O no hydrogen 3.002 N/A GLN 122.A NE2 ASP 118.A O no hydrogen 3.314 N/A LEU 123.A N ILE 120.A O no hydrogen 3.242 N/A LYS 124.A NZ ASP 130.A O no hydrogen 3.120 N/A LYS 124.A NZ GLY 155.A O no hydrogen 2.712 N/A LYS 126.A N GLN 122.A O no hydrogen 2.718 N/A TYR 127.A N LEU 123.A O no hydrogen 2.951 N/A LEU 132.A N LEU 156.A O no hydrogen 2.619 N/A ASP 133.A N LEU 58.A O no hydrogen 3.154 N/A MET 134.A N LEU 58.A O no hydrogen 3.237 N/A VAL 135.A N VAL 162.A O no hydrogen 2.769 N/A PHE 136.A N LEU 60.A O no hydrogen 2.771 N/A LEU 137.A N LEU 164.A O no hydrogen 2.937 N/A ASP 138.A N LEU 62.A O no hydrogen 3.103 N/A HIS 139.A N HIS 139.A ND1 no hydrogen 2.686 N/A HIS 139.A NE2 ASP 147.A OD2 no hydrogen 2.585 N/A LYS 141.A NZ ASP 138.A OD1 no hydrogen 3.291 N/A LYS 141.A NZ HIS 139.A O no hydrogen 2.686 N/A LYS 141.A NZ TYR 144.A OH no hydrogen 3.067 N/A LYS 141.A NZ ASN 167.A OD1 no hydrogen 3.175 N/A ARG 143.A N TRP 140.A O no hydrogen 2.965 N/A ARG 143.A NE ASP 147.A OD1 no hydrogen 3.334 N/A ARG 143.A NH2 ASP 147.A OD1 no hydrogen 2.422 N/A TYR 144.A OH ASP 166.A O no hydrogen 2.739 N/A ASP 147.A N ARG 143.A O no hydrogen 2.842 N/A THR 148.A N TYR 144.A O no hydrogen 3.040 N/A THR 148.A OG1 TYR 144.A O no hydrogen 2.755 N/A LEU 149.A N LEU 145.A O no hydrogen 3.052 N/A LEU 150.A N PRO 146.A O no hydrogen 2.974 N/A LEU 151.A N ASP 147.A O no hydrogen 2.854 N/A GLU 152.A N THR 148.A O no hydrogen 2.963 N/A LYS 153.A N LEU 149.A O no hydrogen 2.809 N/A CYS 154.A N LEU 150.A O no hydrogen 2.818 N/A CYS 154.A SG LEU 150.A O no hydrogen 3.407 N/A GLY 155.A N GLU 152.A O no hydrogen 3.096 N/A LEU 156.A N LEU 151.A O no hydrogen 2.899 N/A ARG 158.A N THR 161.A OG1 no hydrogen 2.711 N/A ARG 158.A NH1 LYS 159.A O no hydrogen 3.029 N/A ARG 158.A NH2 ASP 133.A OD1 no hydrogen 2.654 N/A GLY 160.A N TYR 209.A O no hydrogen 2.761 N/A THR 161.A N ARG 158.A O no hydrogen 2.914 N/A THR 161.A OG1 LEU 132.A O no hydrogen 2.754 N/A THR 161.A OG1 ARG 158.A O no hydrogen 2.879 N/A VAL 162.A N ASP 133.A O no hydrogen 3.017 N/A LEU 163.A N ALA 207.A O no hydrogen 2.855 N/A LEU 164.A N VAL 135.A O no hydrogen 2.731 N/A ALA 165.A N GLU 205.A O no hydrogen 2.864 N/A ASP 166.A N LEU 137.A O no hydrogen 2.971 N/A ASN 167.A N ASP 166.A OD1 no hydrogen 2.727 N/A ASN 167.A ND2 VAL 170.A O no hydrogen 2.914 N/A VAL 168.A N GLY 203.A O no hydrogen 3.360 N/A ILE 169.A N ASP 202.A OD1 no hydrogen 3.233 N/A VAL 170.A N ASP 202.A OD1 no hydrogen 3.050 N/A GLY 172.A N ASN 167.A O no hydrogen 2.879 N/A THR 173.A N VAL 168.A O no hydrogen 3.513 N/A THR 173.A OG1 THR 173.A O no hydrogen 2.492 N/A PHE 176.A N ASP 175.A OD1 no hydrogen 2.521 N/A LEU 177.A N THR 173.A O no hydrogen 2.966 N/A ALA 178.A N PRO 174.A O no hydrogen 2.806 N/A TYR 179.A N ASP 175.A O no hydrogen 2.927 N/A VAL 180.A N PHE 176.A O no hydrogen 2.888 N/A ARG 181.A N LEU 177.A O no hydrogen 3.179 N/A ARG 181.A NE GLU 205.A OE2 no hydrogen 3.097 N/A ARG 181.A NH2 GLU 205.A OE1 no hydrogen 2.739 N/A ARG 181.A NH2 GLU 205.A OE2 no hydrogen 3.264 N/A GLY 182.A N ALA 178.A O no hydrogen 3.088 N/A SER 183.A N TYR 179.A O no hydrogen 2.929 N/A SER 185.A N SER 183.A OG no hydrogen 2.917 N/A SER 185.A OG GLY 211.A O no hydrogen 3.288 N/A GLU 187.A N ILE 208.A O no hydrogen 2.929 N/A THR 189.A N LYS 206.A O no hydrogen 2.816 N/A HIS 190.A ND1 GLU 205.A OE1 no hydrogen 3.052 N/A TYR 191.A N LEU 204.A O no hydrogen 2.724 N/A SER 193.A N ASP 202.A O no hydrogen 2.647 N/A LEU 195.A N VAL 200.A O no hydrogen 2.674 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.908 N/A TYR 197.A OH ASP 27.A OD1 no hydrogen 2.786 N/A MET 198.A N LEU 195.A O no hydrogen 3.237 N/A ASP 202.A N SER 193.A O no hydrogen 3.237 N/A GLY 203.A N ASP 202.A OD1 no hydrogen 2.569 N/A LEU 204.A N TYR 191.A O no hydrogen 3.001 N/A GLU 205.A N ALA 165.A O no hydrogen 2.969 N/A LYS 206.A N THR 189.A O no hydrogen 2.835 N/A LYS 206.A NZ TYR 54.A OH no hydrogen 2.818 N/A LYS 206.A NZ TYR 191.A OH no hydrogen 3.108 N/A ALA 207.A N LEU 163.A O no hydrogen 2.742 N/A ILE 208.A N GLU 187.A O no hydrogen 2.791 N/A TYR 209.A N THR 161.A O no hydrogen 2.836 N/A TYR 209.A OH GLU 152.A OE2 no hydrogen 3.033 N/A GLN 210.A N SER 185.A O no hydrogen 2.667 N/A