Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6puf_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ALA 22.A O no hydrogen 2.837 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.910 N/A GLN 4.A NE2 SER 108.A OG no hydrogen 3.018 N/A THR 5.A N GLN 20.A O no hydrogen 3.054 N/A GLN 9.A N ARG 109.A O no hydrogen 2.980 N/A GLN 9.A NE2 VAL 10.A O no hydrogen 2.931 N/A LEU 11.A N THR 111.A O no hydrogen 2.791 N/A LYS 12.A N GLN 15.A OE1 no hydrogen 2.731 N/A THR 13.A N LEU 113.A O no hydrogen 2.871 N/A THR 13.A OG1 LEU 113.A O no hydrogen 3.378 N/A GLY 14.A N ALA 79.A O no hydrogen 2.830 N/A GLN 15.A N LYS 12.A O no hydrogen 2.987 N/A SER 16.A OG.A GLU 77.A O no hydrogen 2.539 N/A MET 17.A N LEU 76.A O no hydrogen 3.153 N/A LEU 19.A N LEU 74.A O no hydrogen 2.654 N/A GLN 20.A N THR 5.A O no hydrogen 2.978 N/A ALA 22.A N THR 3.A O no hydrogen 2.866 N/A GLN 23.A N ARG 70.A O no hydrogen 2.911 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 3.188 N/A GLN 23.A NE2 LYS 69.A O no hydrogen 2.879 N/A MET 25.A N GLN 23.A OE1 no hydrogen 3.122 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.073 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.697 N/A ASN 28.A N VAL 93.A O no hydrogen 3.131 N/A ASN 28.A ND2 VAL 93.A O no hydrogen 3.097 N/A SER 29.A N SER 92.A O no hydrogen 3.159 N/A SER 29.A OG ALA 48.A O no hydrogen 2.760 N/A SER 29.A OG THR 95.A OG1 no hydrogen 2.822 N/A MET 30.A N SER 47.A O no hydrogen 3.022 N/A TYR 31.A N ALA 90.A O no hydrogen 2.777 N/A TYR 31.A OH SER 92.A OG.A no hydrogen 2.941 N/A TYR 31.A OH THR 95.A OG1 no hydrogen 2.529 N/A TRP 32.A N TYR 45.A O no hydrogen 2.940 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 2.826 N/A TYR 33.A N PHE 88.A O no hydrogen 2.757 N/A ARG 34.A N ARG 42.A O no hydrogen 3.046 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.679 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.471 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 3.021 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.128 N/A ARG 34.A NH2 SER 82.A O no hydrogen 3.058 N/A GLN 35.A N VAL 86.A O no hydrogen 2.798 N/A ARG 42.A N ARG 34.A O no hydrogen 3.179 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 2.812 N/A ILE 44.A N TRP 32.A O no hydrogen 2.828 N/A TYR 46.A N ASP 54.A O no hydrogen 3.073 N/A SER 47.A N MET 30.A O no hydrogen 2.809 N/A SER 47.A OG SER 49.A O no hydrogen 2.951 N/A SER 47.A OG THR 52.A O no hydrogen 2.876 N/A THR 52.A N SER 49.A O no hydrogen 3.245 N/A ASP 54.A N TYR 46.A O no hydrogen 2.908 N/A LYS 55.A N ASP 54.A OD1 no hydrogen 2.898 N/A GLY 56.A N ILE 44.A O no hydrogen 2.650 N/A GLU 57.A N LEU 43.A O no hydrogen 2.689 N/A VAL 58.A N LEU 43.A O no hydrogen 3.025 N/A TYR 62.A N PRO 59.A O no hydrogen 3.043 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.874 N/A ASN 63.A N ARG 75.A O no hydrogen 3.156 N/A ASN 63.A ND2 GLU 77.A OE2 no hydrogen 3.520 N/A SER 65.A N SER 73.A O no hydrogen 3.071 N/A ARG 66.A NE ASN 68.A O no hydrogen 2.859 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 3.255 N/A ARG 66.A NH1 LYS 69.A O no hydrogen 2.750 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 2.944 N/A ARG 66.A NH2 SER 47.A OG no hydrogen 2.628 N/A LEU 67.A N GLU 71.A O no hydrogen 3.074 N/A ASN 68.A ND2 GLU 71.A OE2 no hydrogen 3.189 N/A LYS 69.A NZ ASN 26.A OD1 no hydrogen 3.102 N/A ARG 70.A N ASN 68.A OD1 no hydrogen 2.894 N/A GLU 71.A N ASN 68.A OD1 no hydrogen 2.850 N/A PHE 72.A N CYS 21.A O no hydrogen 2.940 N/A SER 73.A N SER 65.A O no hydrogen 2.980 N/A SER 73.A OG SER 65.A O no hydrogen 3.478 N/A LEU 74.A N LEU 19.A O no hydrogen 2.861 N/A ARG 75.A N ASN 63.A O no hydrogen 2.752 N/A ARG 75.A NH1 ASN 63.A OD1 no hydrogen 2.491 N/A ARG 75.A NH1 SER 65.A OG.A no hydrogen 2.853 N/A ARG 75.A NH2 SER 65.A OG.A no hydrogen 2.522 N/A LEU 76.A N MET 17.A O no hydrogen 2.692 N/A ALA 79.A N GLN 15.A O no hydrogen 2.729 N/A ALA 80.A N GLN 83.A OE1 no hydrogen 2.806 N/A GLN 83.A N ALA 80.A O no hydrogen 2.817 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.034 N/A THR 84.A N PRO 81.A O no hydrogen 3.045 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.122 N/A THR 84.A OG1 VAL 112.A O no hydrogen 3.366 N/A SER 85.A N LEU 110.A O no hydrogen 3.003 N/A SER 85.A OG GLN 35.A O no hydrogen 3.096 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 2.692 N/A SER 85.A OG VAL 86.A O no hydrogen 3.534 N/A TYR 87.A N SER 108.A O no hydrogen 2.839 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.874 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.503 N/A PHE 88.A N TYR 33.A O no hydrogen 2.863 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.950 N/A CYS 89.A SG TYR 31.A O no hydrogen 3.682 N/A CYS 89.A SG ALA 90.A O no hydrogen 4.018 N/A ALA 90.A N TYR 31.A O no hydrogen 2.919 N/A SER 91.A N PHE 103.A O no hydrogen 2.958 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 2.697 N/A SER 92.A N SER 29.A O no hydrogen 2.902 N/A SER 92.A OG.A TYR 31.A OH no hydrogen 2.941 N/A SER 92.A OG.A TRP 94.A O no hydrogen 3.226 N/A SER 92.A OG.B SER 91.A O no hydrogen 3.538 N/A SER 92.A OG.B GLU 101.A O no hydrogen 2.426 N/A THR 95.A OG1 SER 29.A OG no hydrogen 2.822 N/A THR 95.A OG1 TYR 31.A OH no hydrogen 2.529 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.655 N/A PHE 103.A N SER 91.A O no hydrogen 2.878 N/A GLY 105.A N CYS 89.A O no hydrogen 2.721 N/A SER 108.A N TYR 87.A O no hydrogen 2.711 N/A SER 108.A OG PRO 6.A O no hydrogen 2.584 N/A ARG 109.A N LYS 7.A O no hydrogen 2.982 N/A LEU 110.A N SER 85.A O no hydrogen 3.018 N/A THR 111.A N GLN 9.A O no hydrogen 3.032 N/A THR 111.A OG1 HIS 153.A NE2 no hydrogen 2.823 N/A VAL 112.A N THR 84.A OG1 no hydrogen 2.709 N/A LEU 113.A N LEU 11.A O no hydrogen 2.723 N/A ASN 118.A ND2 ASP 184.A O no hydrogen 2.848 N/A VAL 119.A N LEU 116.A O no hydrogen 3.180 N/A PHE 120.A N TYR 150.A O no hydrogen 2.920 N/A GLU 123.A N THR 147.A O no hydrogen 2.886 N/A ALA 125.A N LEU 145.A O no hydrogen 3.045 N/A PHE 127.A N VAL 143.A O no hydrogen 2.876 N/A ALA 132.A N SER 130.A OG no hydrogen 3.057 N/A ILE 134.A N SER 130.A O no hydrogen 3.216 N/A SER 135.A N GLU 131.A O no hydrogen 2.777 N/A SER 135.A OG GLU 131.A O no hydrogen 3.046 N/A HIS 136.A N ALA 132.A O no hydrogen 2.775 N/A HIS 136.A N GLU 133.A O no hydrogen 3.288 N/A THR 137.A N GLU 133.A O no hydrogen 2.922 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.886 N/A GLN 138.A N ILE 134.A O no hydrogen 3.342 N/A LYS 139.A N THR 137.A OG1 no hydrogen 3.048 N/A ALA 140.A N VAL 195.A O no hydrogen 3.064 N/A THR 141.A N GLU 133.A OE1 no hydrogen 3.127 N/A THR 141.A OG1 GLU 133.A OE1 no hydrogen 3.172 N/A THR 141.A OG1 GLU 133.A OE2 no hydrogen 2.531 N/A LEU 142.A N LEU 193.A O no hydrogen 2.763 N/A VAL 143.A N PHE 127.A O no hydrogen 3.173 N/A CYS 144.A N SER 191.A O no hydrogen 2.646 N/A LEU 145.A N ALA 125.A O no hydrogen 3.070 N/A ALA 146.A N LEU 189.A O no hydrogen 2.828 N/A THR 147.A N GLU 123.A O no hydrogen 2.843 N/A THR 147.A OG1 GLU 123.A O no hydrogen 3.273 N/A GLY 148.A N GLU 178.A OE2 no hydrogen 3.099 N/A PHE 149.A N TYR 187.A O no hydrogen 3.276 N/A TYR 150.A N PHE 120.A O no hydrogen 2.872 N/A HIS 153.A N PRO 151.A O no hydrogen 2.899 N/A GLU 155.A N GLN 212.A O no hydrogen 2.906 N/A SER 157.A N GLN 210.A O no hydrogen 2.766 N/A TRP 158.A NE1 SER 191.A OG no hydrogen 2.964 N/A TRP 159.A N ARG 208.A O no hydrogen 2.882 N/A TRP 159.A NE1 SER 157.A OG no hydrogen 2.695 N/A VAL 160.A N LYS 163.A O no hydrogen 2.750 N/A ASN 161.A N HIS 206.A O no hydrogen 2.925 N/A ASN 161.A ND2 ASN 205.A OD1 no hydrogen 3.120 N/A LYS 163.A N VAL 160.A O no hydrogen 2.710 N/A VAL 165.A N TRP 158.A O no hydrogen 3.008 N/A CYS 170.A N ARG 192.A O no hydrogen 3.051 N/A THR 171.A OG1 SER 191.A OG no hydrogen 2.575 N/A ASP 172.A N SER 190.A O no hydrogen 3.015 N/A LEU 176.A N ALA 188.A O no hydrogen 2.888 N/A GLU 178.A N ARG 186.A O no hydrogen 2.887 N/A GLN 179.A N SER 185.A OG no hydrogen 2.849 N/A LEU 182.A N GLN 179.A O no hydrogen 2.931 N/A SER 185.A OG GLN 179.A OE1 no hydrogen 3.554 N/A SER 185.A OG ARG 186.A O no hydrogen 2.783 N/A ARG 186.A N GLN 179.A OE1 no hydrogen 3.205 N/A ARG 186.A NE ASN 118.A OD1 no hydrogen 3.326 N/A TYR 187.A N PHE 149.A O no hydrogen 2.890 N/A ALA 188.A N LEU 176.A O no hydrogen 2.935 N/A LEU 189.A N ALA 146.A O no hydrogen 2.728 N/A SER 190.A N ASP 172.A OD2 no hydrogen 2.882 N/A SER 190.A OG ASP 172.A OD1 no hydrogen 2.960 N/A SER 190.A OG ASP 172.A OD2 no hydrogen 2.456 N/A SER 191.A N CYS 144.A O no hydrogen 3.040 N/A SER 191.A OG CYS 170.A O no hydrogen 3.217 N/A SER 191.A OG THR 171.A OG1 no hydrogen 2.575 N/A ARG 192.A N CYS 170.A O no hydrogen 2.914 N/A ARG 192.A NH1 ASP 172.A OD1 no hydrogen 3.215 N/A ARG 192.A NH2 CYS 170.A O no hydrogen 3.321 N/A ARG 192.A NH2 ASP 172.A OD1 no hydrogen 2.880 N/A LEU 193.A N LEU 142.A O no hydrogen 2.624 N/A ARG 194.A N GLY 168.A O no hydrogen 2.909 N/A ARG 194.A NE GLU 133.A OE2 no hydrogen 3.020 N/A ARG 194.A NH2 GLU 133.A OE2 no hydrogen 3.021 N/A VAL 195.A N ALA 140.A O no hydrogen 2.766 N/A ALA 197.A N GLN 138.A O no hydrogen 3.057 N/A PHE 199.A N SER 196.A OG no hydrogen 2.870 N/A GLN 201.A N ALA 197.A O no hydrogen 3.125 N/A GLN 201.A N THR 198.A O no hydrogen 2.843 N/A ASN 202.A N THR 198.A O no hydrogen 3.305 N/A ARG 204.A N ASN 202.A OD1 no hydrogen 2.708 N/A ASN 205.A N ASN 202.A O no hydrogen 3.332 N/A ASN 205.A ND2 PHE 199.A O no hydrogen 2.998 N/A HIS 206.A N ASN 161.A OD1 no hydrogen 3.187 N/A PHE 207.A N ALA 238.A O no hydrogen 2.999 N/A ARG 208.A N TRP 159.A O no hydrogen 2.842 N/A ARG 208.A NH1 GLN 210.A OE1 no hydrogen 3.196 N/A ARG 208.A NH2 GLN 210.A OE1 no hydrogen 2.903 N/A CYS 209.A N ALA 236.A O no hydrogen 2.747 N/A GLN 210.A N SER 157.A O no hydrogen 2.788 N/A VAL 211.A N VAL 234.A O no hydrogen 2.960 N/A GLN 212.A N GLU 155.A O no hydrogen 2.900 N/A GLN 212.A NE2 PHE 213.A O no hydrogen 3.204 N/A PHE 213.A N GLN 232.A O no hydrogen 2.750 N/A TYR 214.A N HIS 153.A O no hydrogen 2.898 N/A TYR 214.A OH GLU 155.A OE2 no hydrogen 2.972 N/A GLY 215.A N THR 231.A OG1 no hydrogen 3.002 N/A LEU 216.A N PRO 229.A O no hydrogen 3.057 N/A SER 217.A N ASP 220.A OD2 no hydrogen 2.607 N/A ASP 220.A N SER 217.A O no hydrogen 3.281 N/A TRP 222.A NE1 ARG 226.A O no hydrogen 2.892 N/A ARG 226.A NH1 VAL 119.A O no hydrogen 3.157 N/A ARG 226.A NH2 LYS 117.A O no hydrogen 2.727 N/A ARG 226.A NH2 VAL 119.A O no hydrogen 3.027 N/A LYS 228.A NZ SER 217.A O no hydrogen 3.026 N/A LYS 228.A NZ GLU 218.A O no hydrogen 3.027 N/A LYS 228.A NZ ASP 220.A O no hydrogen 2.514 N/A VAL 230.A N LYS 228.A O no hydrogen 2.793 N/A THR 231.A N LEU 216.A O no hydrogen 3.295 N/A GLN 232.A N PHE 213.A O no hydrogen 2.952 N/A GLN 232.A NE2 VAL 230.A O no hydrogen 3.100 N/A VAL 234.A N VAL 211.A O no hydrogen 3.006 N/A ALA 236.A N CYS 209.A O no hydrogen 3.026 N/A ALA 238.A N PHE 207.A O no hydrogen 2.997 N/A