Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pul_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ALA 23.A O no hydrogen 2.822 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.920 N/A GLN 5.A NE2 SER 109.A OG no hydrogen 3.003 N/A THR 6.A N GLN 21.A O no hydrogen 2.958 N/A GLN 10.A N ARG 110.A O no hydrogen 2.909 N/A GLN 10.A NE2 VAL 11.A O no hydrogen 3.324 N/A LEU 12.A N THR 112.A O no hydrogen 2.858 N/A LYS 13.A N GLN 16.A OE1 no hydrogen 2.659 N/A THR 14.A N LEU 114.A O no hydrogen 2.780 N/A THR 14.A OG1 LEU 114.A O no hydrogen 3.264 N/A GLY 15.A N ALA 80.A O no hydrogen 2.830 N/A GLN 16.A N LYS 13.A O no hydrogen 2.976 N/A MET 18.A N LEU 77.A O no hydrogen 2.949 N/A LEU 20.A N LEU 75.A O no hydrogen 2.673 N/A GLN 21.A N THR 6.A O no hydrogen 2.934 N/A ALA 23.A N THR 4.A O no hydrogen 2.868 N/A GLN 24.A N ARG 71.A O no hydrogen 2.918 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 3.114 N/A GLN 24.A NE2 LYS 70.A O no hydrogen 3.007 N/A MET 26.A N GLN 24.A OE1 no hydrogen 3.032 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 3.127 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.803 N/A ASN 29.A N VAL 94.A O no hydrogen 3.011 N/A ASN 29.A ND2 VAL 94.A O no hydrogen 2.989 N/A SER 30.A N SER 93.A O no hydrogen 3.133 N/A SER 30.A OG ALA 49.A O no hydrogen 2.940 N/A MET 31.A N SER 48.A O no hydrogen 3.006 N/A TYR 32.A N ALA 91.A O no hydrogen 2.810 N/A TYR 32.A OH SER 93.A OG no hydrogen 3.276 N/A TYR 32.A OH THR 96.A OG1 no hydrogen 3.051 N/A TRP 33.A N TYR 46.A O no hydrogen 3.091 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 2.889 N/A TYR 34.A N PHE 89.A O no hydrogen 2.728 N/A ARG 35.A N ARG 43.A O no hydrogen 3.036 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 2.746 N/A ARG 35.A NH1 SER 83.A O no hydrogen 3.323 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 3.034 N/A ARG 35.A NH2 ASP 37.A OD2 no hydrogen 3.273 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.957 N/A GLN 36.A N VAL 87.A O no hydrogen 2.772 N/A ARG 43.A N ARG 35.A O no hydrogen 3.178 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 2.843 N/A ILE 45.A N TRP 33.A O no hydrogen 2.781 N/A TYR 46.A OH TYR 63.A O no hydrogen 3.367 N/A TYR 47.A N ASP 55.A O no hydrogen 2.989 N/A SER 48.A N MET 31.A O no hydrogen 2.825 N/A SER 48.A OG SER 50.A O no hydrogen 3.077 N/A SER 48.A OG THR 53.A O no hydrogen 2.774 N/A SER 50.A OG.A GLU 51.A O no hydrogen 3.513 N/A THR 53.A N SER 50.A O no hydrogen 3.271 N/A ASP 55.A N TYR 47.A O no hydrogen 2.927 N/A LYS 56.A N ASP 55.A OD1 no hydrogen 2.877 N/A GLY 57.A N ILE 45.A O no hydrogen 2.835 N/A GLU 58.A N LEU 44.A O no hydrogen 2.703 N/A VAL 59.A N LEU 44.A O no hydrogen 3.033 N/A TYR 63.A N PRO 60.A O no hydrogen 3.085 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.723 N/A ASN 64.A N.A ARG 76.A O no hydrogen 3.095 N/A ASN 64.A N.B ARG 76.A O no hydrogen 3.084 N/A SER 66.A N SER 74.A O no hydrogen 3.144 N/A ARG 67.A NE ASN 69.A O no hydrogen 2.956 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 3.128 N/A ARG 67.A NH1 LYS 70.A O no hydrogen 2.797 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 2.921 N/A ARG 67.A NH2 SER 48.A OG no hydrogen 2.797 N/A LEU 68.A N GLU 72.A O no hydrogen 3.031 N/A ASN 69.A ND2 GLU 72.A OE1 no hydrogen 2.877 N/A LYS 70.A NZ ASN 27.A OD1 no hydrogen 2.697 N/A ARG 71.A N ASN 69.A OD1 no hydrogen 2.815 N/A ARG 71.A NE ASP 25.A OD1.B no hydrogen 2.480 N/A ARG 71.A NH2 ASP 25.A OD2.B no hydrogen 2.867 N/A PHE 73.A N CYS 22.A O no hydrogen 3.009 N/A SER 74.A N SER 66.A O no hydrogen 2.925 N/A SER 74.A OG.A GLN 21.A OE1 no hydrogen 3.139 N/A SER 74.A OG.B SER 66.A O no hydrogen 3.363 N/A LEU 75.A N LEU 20.A O no hydrogen 2.972 N/A ARG 76.A N ASN 64.A O.A no hydrogen 2.763 N/A ARG 76.A N ASN 64.A O.B no hydrogen 2.756 N/A ARG 76.A NH1 ASN 64.A OD1.A no hydrogen 2.609 N/A ARG 76.A NH1 SER 66.A OG no hydrogen 2.792 N/A ARG 76.A NH2 SER 66.A OG no hydrogen 2.551 N/A LEU 77.A N MET 18.A O no hydrogen 2.762 N/A ALA 80.A N GLN 16.A O no hydrogen 2.697 N/A ALA 81.A N GLN 84.A OE1 no hydrogen 2.881 N/A GLN 84.A N ALA 81.A O no hydrogen 2.842 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.128 N/A THR 85.A N PRO 82.A O no hydrogen 3.008 N/A THR 85.A OG1 PRO 82.A O no hydrogen 3.087 N/A SER 86.A N LEU 111.A O no hydrogen 3.146 N/A SER 86.A OG GLN 36.A O no hydrogen 3.018 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.868 N/A SER 86.A OG ASP 37.A OD2 no hydrogen 3.474 N/A SER 86.A OG VAL 87.A O no hydrogen 3.554 N/A VAL 87.A N GLN 36.A O no hydrogen 3.478 N/A TYR 88.A N SER 109.A O no hydrogen 2.887 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.723 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.554 N/A PHE 89.A N TYR 34.A O no hydrogen 2.890 N/A CYS 90.A N GLN 5.A OE1 no hydrogen 2.996 N/A CYS 90.A SG.A TYR 32.A O no hydrogen 3.684 N/A CYS 90.A SG.A ALA 91.A O no hydrogen 4.020 N/A CYS 90.A SG.B GLN 5.A OE1 no hydrogen 3.677 N/A ALA 91.A N TYR 32.A O no hydrogen 2.923 N/A SER 92.A N PHE 104.A O no hydrogen 2.963 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.803 N/A SER 93.A N SER 30.A O no hydrogen 2.972 N/A SER 93.A OG TYR 32.A OH no hydrogen 3.276 N/A SER 93.A OG TRP 95.A O.A no hydrogen 2.989 N/A SER 93.A OG TRP 95.A O.B no hydrogen 3.049 N/A THR 96.A OG1 TYR 32.A OH no hydrogen 3.051 N/A SER 100.A OG GLU 98.A OE1.B no hydrogen 3.537 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.706 N/A PHE 104.A N SER 92.A O no hydrogen 2.863 N/A GLY 106.A N CYS 90.A O no hydrogen 2.699 N/A SER 109.A N TYR 88.A O no hydrogen 2.738 N/A SER 109.A OG PRO 7.A O no hydrogen 2.659 N/A ARG 110.A N LYS 8.A O no hydrogen 2.737 N/A ARG 110.A NE SER 86.A O no hydrogen 3.165 N/A LEU 111.A N SER 86.A O no hydrogen 3.133 N/A THR 112.A N GLN 10.A O no hydrogen 3.025 N/A THR 112.A OG1 HIS 154.A NE2 no hydrogen 2.742 N/A VAL 113.A N THR 85.A OG1 no hydrogen 2.828 N/A LEU 114.A N LEU 12.A O no hydrogen 2.760 N/A LYS 118.A N ASP 116.A OD1 no hydrogen 2.988 N/A ASN 119.A ND2 ASP 185.A O no hydrogen 2.893 N/A VAL 120.A N LEU 117.A O no hydrogen 3.229 N/A PHE 121.A N TYR 151.A O no hydrogen 2.874 N/A GLU 124.A N THR 148.A O no hydrogen 2.981 N/A ALA 126.A N LEU 146.A O no hydrogen 2.958 N/A PHE 128.A N VAL 144.A O no hydrogen 2.767 N/A ALA 133.A N SER 131.A OG no hydrogen 3.238 N/A ILE 135.A N SER 131.A O no hydrogen 3.184 N/A SER 136.A N GLU 132.A O no hydrogen 2.907 N/A SER 136.A OG GLU 132.A O no hydrogen 3.128 N/A HIS 137.A N GLU 134.A O no hydrogen 3.199 N/A THR 138.A N GLU 134.A O no hydrogen 2.818 N/A THR 138.A OG1 GLU 134.A O no hydrogen 2.818 N/A GLN 139.A N ILE 135.A O no hydrogen 2.980 N/A LYS 140.A N THR 138.A OG1 no hydrogen 3.084 N/A ALA 141.A N VAL 196.A O no hydrogen 2.973 N/A THR 142.A N GLU 134.A OE1 no hydrogen 2.973 N/A THR 142.A OG1 GLU 134.A OE1 no hydrogen 3.444 N/A THR 142.A OG1 GLU 134.A OE2 no hydrogen 2.572 N/A LEU 143.A N LEU 194.A O no hydrogen 2.743 N/A VAL 144.A N PHE 128.A O no hydrogen 3.188 N/A CYS 145.A N SER 192.A O no hydrogen 2.706 N/A CYS 145.A SG ALA 126.A O no hydrogen 4.032 N/A LEU 146.A N ALA 126.A O no hydrogen 2.900 N/A ALA 147.A N LEU 190.A O no hydrogen 2.858 N/A THR 148.A N GLU 124.A O no hydrogen 2.874 N/A THR 148.A OG1 GLU 124.A O no hydrogen 3.537 N/A GLY 149.A N GLU 179.A OE2 no hydrogen 2.856 N/A PHE 150.A N TYR 188.A O no hydrogen 3.312 N/A TYR 151.A N PHE 121.A O no hydrogen 2.864 N/A HIS 154.A N PRO 152.A O no hydrogen 2.947 N/A HIS 154.A NE2 THR 112.A OG1 no hydrogen 2.742 N/A GLU 156.A N GLN 213.A O no hydrogen 2.991 N/A SER 158.A N GLN 211.A O no hydrogen 2.751 N/A TRP 159.A NE1 SER 192.A OG no hydrogen 2.850 N/A TRP 160.A N ARG 209.A O no hydrogen 2.823 N/A TRP 160.A NE1 SER 158.A OG no hydrogen 2.730 N/A VAL 161.A N LYS 164.A O no hydrogen 2.747 N/A ASN 162.A N HIS 207.A O no hydrogen 2.914 N/A ASN 162.A ND2 ASN 206.A OD1 no hydrogen 3.001 N/A LYS 164.A N VAL 161.A O no hydrogen 3.210 N/A VAL 166.A N TRP 159.A O no hydrogen 3.153 N/A CYS 171.A N ARG 193.A O no hydrogen 3.091 N/A THR 172.A OG1 SER 192.A OG no hydrogen 2.618 N/A ASP 173.A N SER 191.A O no hydrogen 3.020 N/A LEU 177.A N ALA 189.A O no hydrogen 2.889 N/A GLU 179.A N ARG 187.A O no hydrogen 2.875 N/A GLN 180.A N.A SER 186.A OG no hydrogen 2.872 N/A GLN 180.A N.B SER 186.A OG no hydrogen 2.884 N/A LEU 183.A N GLN 180.A O.A no hydrogen 2.977 N/A LEU 183.A N GLN 180.A O.B no hydrogen 2.999 N/A SER 186.A N LEU 183.A O no hydrogen 3.330 N/A SER 186.A OG ARG 187.A O no hydrogen 2.761 N/A ARG 187.A N GLN 180.A OE1.A no hydrogen 3.057 N/A ARG 187.A NE ASN 119.A OD1 no hydrogen 3.220 N/A ARG 187.A NH1 ASN 119.A OD1 no hydrogen 3.474 N/A TYR 188.A N PHE 150.A O no hydrogen 2.824 N/A ALA 189.A N LEU 177.A O no hydrogen 2.956 N/A LEU 190.A N ALA 147.A O no hydrogen 2.762 N/A SER 191.A N ASP 173.A OD2 no hydrogen 2.892 N/A SER 191.A OG ASP 173.A OD1 no hydrogen 3.090 N/A SER 191.A OG ASP 173.A OD2 no hydrogen 2.403 N/A SER 192.A N CYS 145.A O no hydrogen 2.918 N/A SER 192.A OG CYS 171.A O no hydrogen 3.154 N/A SER 192.A OG THR 172.A OG1 no hydrogen 2.618 N/A ARG 193.A N CYS 171.A O no hydrogen 2.833 N/A ARG 193.A NH1 ASP 173.A OD1 no hydrogen 3.153 N/A ARG 193.A NH2 CYS 171.A O no hydrogen 3.435 N/A ARG 193.A NH2 ASP 173.A OD1 no hydrogen 2.873 N/A LEU 194.A N LEU 143.A O no hydrogen 2.757 N/A ARG 195.A N GLY 169.A O no hydrogen 2.793 N/A ARG 195.A NE GLU 134.A OE2 no hydrogen 2.996 N/A ARG 195.A NH2 GLU 134.A OE2 no hydrogen 3.029 N/A VAL 196.A N ALA 141.A O no hydrogen 2.838 N/A ALA 198.A N GLN 139.A O no hydrogen 3.250 N/A PHE 200.A N SER 197.A OG no hydrogen 3.285 N/A TRP 201.A N SER 197.A O no hydrogen 3.071 N/A GLN 202.A N ALA 198.A O no hydrogen 2.948 N/A ASN 203.A N PHE 200.A O no hydrogen 3.389 N/A ARG 205.A N ASN 203.A OD1 no hydrogen 2.789 N/A ASN 206.A N ASN 203.A O no hydrogen 3.327 N/A ASN 206.A ND2 PHE 200.A O no hydrogen 2.850 N/A HIS 207.A N ASN 162.A OD1 no hydrogen 2.726 N/A HIS 207.A NE2 GLU 238.A OE1 no hydrogen 2.660 N/A PHE 208.A N ALA 239.A O no hydrogen 3.051 N/A ARG 209.A N TRP 160.A O no hydrogen 2.847 N/A ARG 209.A NE SER 236.A OG no hydrogen 3.319 N/A CYS 210.A N ALA 237.A O no hydrogen 2.861 N/A GLN 211.A N SER 158.A O no hydrogen 2.748 N/A VAL 212.A N VAL 235.A O no hydrogen 2.919 N/A GLN 213.A N GLU 156.A O no hydrogen 2.932 N/A GLN 213.A NE2 PHE 214.A O no hydrogen 3.333 N/A PHE 214.A N GLN 233.A O no hydrogen 2.824 N/A TYR 215.A N HIS 154.A O no hydrogen 2.885 N/A TYR 215.A OH GLU 156.A OE1 no hydrogen 2.492 N/A GLY 216.A N THR 232.A OG1 no hydrogen 2.972 N/A LEU 217.A N PRO 230.A O no hydrogen 3.026 N/A SER 218.A N ASP 221.A OD2 no hydrogen 2.693 N/A TRP 223.A NE1 ARG 227.A O no hydrogen 2.809 N/A ARG 227.A NH1 VAL 120.A O no hydrogen 2.877 N/A ARG 227.A NH2 LYS 118.A O no hydrogen 2.671 N/A ARG 227.A NH2 VAL 120.A O no hydrogen 2.906 N/A LYS 229.A NZ SER 218.A O no hydrogen 2.871 N/A LYS 229.A NZ ASP 221.A O no hydrogen 2.775 N/A VAL 231.A N LYS 229.A O no hydrogen 2.777 N/A THR 232.A N LEU 217.A O no hydrogen 3.278 N/A GLN 233.A N PHE 214.A O no hydrogen 3.036 N/A GLN 233.A NE2 VAL 231.A O no hydrogen 2.944 N/A VAL 235.A N VAL 212.A O no hydrogen 3.015 N/A ALA 237.A N CYS 210.A O no hydrogen 3.051 N/A ALA 239.A N PHE 208.A O no hydrogen 2.957 N/A GLY 241.A N ASN 206.A O no hydrogen 3.421 N/A