Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pud_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ALA 22.A O no hydrogen 2.848 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.869 N/A GLN 4.A NE2 SER 108.A OG no hydrogen 2.868 N/A THR 5.A N GLN 20.A O no hydrogen 3.005 N/A GLN 9.A N ARG 109.A O no hydrogen 2.943 N/A GLN 9.A NE2 VAL 10.A O no hydrogen 3.450 N/A LEU 11.A N THR 111.A O no hydrogen 2.919 N/A LYS 12.A N GLN 15.A OE1 no hydrogen 2.919 N/A THR 13.A N LEU 113.A O no hydrogen 2.905 N/A THR 13.A OG1 GLU 114.A OE2 no hydrogen 2.703 N/A GLY 14.A N ALA 79.A O no hydrogen 2.787 N/A GLN 15.A N LYS 12.A O no hydrogen 2.963 N/A MET 17.A N LEU 76.A O no hydrogen 3.066 N/A LEU 19.A N LEU 74.A O no hydrogen 2.694 N/A GLN 20.A N THR 5.A O no hydrogen 2.937 N/A ALA 22.A N THR 3.A O no hydrogen 2.863 N/A GLN 23.A N ARG 70.A O no hydrogen 2.963 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 3.314 N/A MET 25.A N GLN 23.A OE1 no hydrogen 2.961 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.107 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.756 N/A ASN 28.A N VAL 93.A O no hydrogen 2.865 N/A SER 29.A N.A SER 92.A O.A no hydrogen 3.211 N/A SER 29.A N.A SER 92.A O.B no hydrogen 3.241 N/A SER 29.A N.B SER 92.A O.A no hydrogen 3.229 N/A SER 29.A N.B SER 92.A O.B no hydrogen 3.259 N/A SER 29.A OG.A ALA 48.A O no hydrogen 2.861 N/A SER 29.A OG.A TRP 94.A O no hydrogen 2.605 N/A SER 29.A OG.B TYR 31.A OH no hydrogen 3.023 N/A SER 29.A OG.B SER 92.A O.A no hydrogen 3.249 N/A SER 29.A OG.B SER 92.A O.B no hydrogen 3.356 N/A SER 29.A OG.B SER 92.A OG.A no hydrogen 2.422 N/A SER 29.A OG.B TRP 94.A O no hydrogen 2.442 N/A MET 30.A N SER 47.A O no hydrogen 2.978 N/A TYR 31.A N ALA 90.A O no hydrogen 2.857 N/A TYR 31.A OH SER 29.A OG.B no hydrogen 3.023 N/A TYR 31.A OH SER 92.A OG.A no hydrogen 3.232 N/A TRP 32.A N TYR 45.A O no hydrogen 2.965 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 2.943 N/A TYR 33.A N PHE 88.A O no hydrogen 2.817 N/A ARG 34.A N ARG 42.A O no hydrogen 3.023 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.877 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.272 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 2.886 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.466 N/A ARG 34.A NH2 SER 82.A O no hydrogen 2.929 N/A GLN 35.A N VAL 86.A O no hydrogen 2.776 N/A ARG 42.A N ARG 34.A O no hydrogen 3.186 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 2.901 N/A ILE 44.A N TRP 32.A O no hydrogen 2.686 N/A TYR 45.A OH TYR 62.A O no hydrogen 3.393 N/A TYR 46.A N ASP 54.A O no hydrogen 2.991 N/A SER 47.A N MET 30.A O no hydrogen 2.813 N/A SER 47.A OG SER 49.A O no hydrogen 3.093 N/A SER 47.A OG THR 52.A O no hydrogen 2.681 N/A THR 52.A N SER 49.A O no hydrogen 3.171 N/A ASP 54.A N TYR 46.A O no hydrogen 2.930 N/A LYS 55.A N ASP 54.A OD2 no hydrogen 2.826 N/A GLY 56.A N ILE 44.A O no hydrogen 2.755 N/A GLU 57.A N LEU 43.A O no hydrogen 2.783 N/A VAL 58.A N LEU 43.A O no hydrogen 3.037 N/A TYR 62.A N PRO 59.A O no hydrogen 3.054 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.737 N/A ASN 63.A N ARG 75.A O no hydrogen 3.075 N/A ASN 63.A ND2 GLU 77.A OE1 no hydrogen 3.294 N/A SER 65.A N SER 73.A O no hydrogen 3.068 N/A ARG 66.A NE ASN 68.A O no hydrogen 2.928 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 2.951 N/A ARG 66.A NH1 LYS 69.A O no hydrogen 2.803 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 2.854 N/A ARG 66.A NH2 SER 47.A OG no hydrogen 2.820 N/A LEU 67.A N GLU 71.A O no hydrogen 3.077 N/A ASN 68.A ND2 GLU 71.A OE2 no hydrogen 3.162 N/A LYS 69.A NZ ASN 26.A OD1 no hydrogen 2.666 N/A ARG 70.A N ASN 68.A OD1 no hydrogen 2.847 N/A GLU 71.A N ASN 68.A OD1 no hydrogen 2.959 N/A PHE 72.A N CYS 21.A O no hydrogen 3.057 N/A SER 73.A N SER 65.A O no hydrogen 2.953 N/A SER 73.A OG.A GLN 20.A OE1 no hydrogen 3.563 N/A SER 73.A OG.B SER 65.A O no hydrogen 3.445 N/A LEU 74.A N LEU 19.A O no hydrogen 2.953 N/A ARG 75.A N ASN 63.A O no hydrogen 2.751 N/A ARG 75.A NH1 ASN 63.A OD1 no hydrogen 2.978 N/A ARG 75.A NH1 SER 65.A OG no hydrogen 2.604 N/A ARG 75.A NH2 SER 65.A OG no hydrogen 2.919 N/A LEU 76.A N MET 17.A O no hydrogen 2.831 N/A ALA 79.A N GLN 15.A O no hydrogen 2.746 N/A ALA 80.A N GLN 83.A OE1 no hydrogen 2.783 N/A GLN 83.A N ALA 80.A O no hydrogen 2.854 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.217 N/A THR 84.A N PRO 81.A O no hydrogen 3.195 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.217 N/A SER 85.A N LEU 110.A O no hydrogen 3.066 N/A SER 85.A OG GLN 35.A O no hydrogen 3.070 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 2.739 N/A VAL 86.A N GLN 35.A O no hydrogen 3.486 N/A TYR 87.A N SER 108.A O no hydrogen 2.828 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.737 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.578 N/A PHE 88.A N TYR 33.A O no hydrogen 2.890 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.997 N/A CYS 89.A SG.A TYR 31.A O no hydrogen 3.722 N/A CYS 89.A SG.A ALA 90.A O no hydrogen 4.002 N/A CYS 89.A SG.B GLN 4.A OE1 no hydrogen 3.732 N/A ALA 90.A N TYR 31.A O no hydrogen 2.912 N/A SER 91.A N PHE 103.A O no hydrogen 2.907 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 2.756 N/A SER 92.A N.A SER 29.A O.A no hydrogen 3.060 N/A SER 92.A N.A SER 29.A O.B no hydrogen 2.998 N/A SER 92.A N.B SER 29.A O.A no hydrogen 3.041 N/A SER 92.A N.B SER 29.A O.B no hydrogen 2.978 N/A SER 92.A OG.A SER 29.A OG.B no hydrogen 2.422 N/A SER 92.A OG.A TYR 31.A OH no hydrogen 3.232 N/A SER 92.A OG.A TRP 94.A O no hydrogen 3.137 N/A SER 92.A OG.B GLU 101.A O no hydrogen 3.079 N/A GLU 97.A N THR 95.A OG1 no hydrogen 2.926 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.664 N/A PHE 103.A N SER 91.A O no hydrogen 2.836 N/A GLY 105.A N CYS 89.A O no hydrogen 2.675 N/A SER 108.A N TYR 87.A O no hydrogen 2.746 N/A SER 108.A OG PRO 6.A O no hydrogen 2.575 N/A ARG 109.A N LYS 7.A O no hydrogen 2.910 N/A LEU 110.A N SER 85.A O no hydrogen 3.015 N/A THR 111.A N GLN 9.A O no hydrogen 3.091 N/A THR 111.A OG1 HIS 153.A NE2 no hydrogen 2.672 N/A VAL 112.A N THR 84.A OG1 no hydrogen 2.824 N/A LEU 113.A N LEU 11.A O no hydrogen 2.730 N/A LYS 117.A N ASP 115.A OD1 no hydrogen 2.988 N/A ASN 118.A ND2 ASP 184.A O no hydrogen 2.891 N/A VAL 119.A N LEU 116.A O no hydrogen 3.083 N/A PHE 120.A N TYR 150.A O no hydrogen 2.942 N/A GLU 123.A N THR 147.A O no hydrogen 2.982 N/A ALA 125.A N LEU 145.A O no hydrogen 3.055 N/A PHE 127.A N VAL 143.A O no hydrogen 2.696 N/A ILE 134.A N SER 130.A O no hydrogen 3.013 N/A SER 135.A N GLU 131.A O no hydrogen 2.869 N/A SER 135.A OG ALA 132.A O no hydrogen 3.259 N/A HIS 136.A N ALA 132.A O no hydrogen 2.969 N/A HIS 136.A N GLU 133.A O no hydrogen 3.220 N/A THR 137.A N GLU 133.A O no hydrogen 2.902 N/A THR 137.A OG1 GLU 133.A O no hydrogen 2.926 N/A GLN 138.A N ILE 134.A O no hydrogen 2.926 N/A LYS 139.A N THR 137.A OG1 no hydrogen 3.008 N/A ALA 140.A N VAL 195.A O no hydrogen 2.776 N/A THR 141.A N GLU 133.A OE1 no hydrogen 2.829 N/A THR 141.A OG1 GLU 133.A OE1 no hydrogen 3.270 N/A THR 141.A OG1 GLU 133.A OE2 no hydrogen 2.490 N/A LEU 142.A N LEU 193.A O no hydrogen 2.733 N/A VAL 143.A N PHE 127.A O no hydrogen 3.147 N/A CYS 144.A N SER 191.A O no hydrogen 2.726 N/A CYS 144.A SG ALA 125.A O no hydrogen 4.035 N/A LEU 145.A N ALA 125.A O no hydrogen 2.901 N/A ALA 146.A N LEU 189.A O no hydrogen 2.817 N/A THR 147.A N GLU 123.A O no hydrogen 2.902 N/A THR 147.A OG1 GLU 123.A O no hydrogen 3.516 N/A GLY 148.A N GLU 178.A OE2 no hydrogen 2.974 N/A PHE 149.A N TYR 187.A O no hydrogen 3.221 N/A TYR 150.A N PHE 120.A O no hydrogen 2.870 N/A HIS 153.A N PRO 151.A O no hydrogen 2.917 N/A HIS 153.A NE2 THR 111.A OG1 no hydrogen 2.672 N/A GLU 155.A N GLN 212.A O no hydrogen 2.893 N/A SER 157.A N GLN 210.A O no hydrogen 2.808 N/A TRP 158.A NE1 SER 191.A OG no hydrogen 2.856 N/A TRP 159.A N ARG 208.A O no hydrogen 2.837 N/A TRP 159.A NE1 SER 157.A OG no hydrogen 2.738 N/A VAL 160.A N LYS 163.A O no hydrogen 2.755 N/A ASN 161.A N HIS 206.A O no hydrogen 2.868 N/A ASN 161.A ND2 ASN 205.A OD1 no hydrogen 2.891 N/A LYS 163.A N VAL 160.A O no hydrogen 3.029 N/A VAL 165.A N TRP 158.A O no hydrogen 3.032 N/A CYS 170.A N ARG 192.A O no hydrogen 3.135 N/A THR 171.A OG1 SER 191.A OG no hydrogen 2.691 N/A ASP 172.A N SER 190.A O no hydrogen 3.029 N/A LEU 176.A N ALA 188.A O no hydrogen 2.819 N/A GLU 178.A N ARG 186.A O no hydrogen 2.830 N/A GLN 179.A N SER 185.A OG no hydrogen 2.948 N/A LEU 182.A N GLN 179.A O no hydrogen 2.876 N/A SER 185.A N LEU 182.A O no hydrogen 3.200 N/A SER 185.A OG ARG 186.A O no hydrogen 2.807 N/A ARG 186.A N GLN 179.A OE1 no hydrogen 3.095 N/A ARG 186.A NE ASN 118.A OD1 no hydrogen 3.228 N/A ARG 186.A NH1 ASN 118.A OD1 no hydrogen 3.308 N/A TYR 187.A N PHE 149.A O no hydrogen 2.784 N/A ALA 188.A N LEU 176.A O no hydrogen 2.830 N/A LEU 189.A N ALA 146.A O no hydrogen 2.724 N/A SER 190.A N ASP 172.A OD2 no hydrogen 2.897 N/A SER 190.A OG ASP 172.A OD1 no hydrogen 3.109 N/A SER 190.A OG ASP 172.A OD2 no hydrogen 2.592 N/A SER 191.A N CYS 144.A O no hydrogen 2.949 N/A SER 191.A OG CYS 170.A O no hydrogen 3.274 N/A SER 191.A OG THR 171.A OG1 no hydrogen 2.691 N/A ARG 192.A N CYS 170.A O no hydrogen 2.969 N/A ARG 192.A NH1 ASP 172.A OD1 no hydrogen 3.212 N/A ARG 192.A NH2 CYS 170.A O no hydrogen 3.469 N/A ARG 192.A NH2 ASP 172.A OD1 no hydrogen 3.019 N/A ARG 192.A NH2 SER 190.A O no hydrogen 3.566 N/A LEU 193.A N LEU 142.A O no hydrogen 2.759 N/A ARG 194.A N GLY 168.A O no hydrogen 2.745 N/A VAL 195.A N ALA 140.A O no hydrogen 2.806 N/A SER 196.A OG THR 198.A OG1 no hydrogen 3.221 N/A ALA 197.A N GLN 138.A O no hydrogen 2.797 N/A THR 198.A OG1 SER 196.A OG no hydrogen 3.221 N/A PHE 199.A N SER 196.A OG no hydrogen 3.368 N/A TRP 200.A N SER 196.A O no hydrogen 3.145 N/A GLN 201.A N ALA 197.A O no hydrogen 2.918 N/A GLN 201.A N THR 198.A O no hydrogen 3.056 N/A ASN 202.A N PHE 199.A O no hydrogen 3.340 N/A ARG 204.A N ASN 202.A OD1 no hydrogen 2.791 N/A ASN 205.A N ASN 202.A O no hydrogen 3.108 N/A ASN 205.A ND2 PHE 199.A O no hydrogen 2.782 N/A HIS 206.A N ASN 161.A OD1 no hydrogen 2.744 N/A HIS 206.A NE2 GLU 237.A OE2 no hydrogen 2.600 N/A PHE 207.A N ALA 238.A O no hydrogen 2.813 N/A ARG 208.A N TRP 159.A O no hydrogen 2.876 N/A ARG 208.A NH1 GLN 210.A OE1 no hydrogen 2.758 N/A ARG 208.A NH1 SER 235.A OG no hydrogen 2.960 N/A ARG 208.A NH2 GLN 210.A OE1 no hydrogen 3.349 N/A CYS 209.A N ALA 236.A O no hydrogen 2.849 N/A GLN 210.A N SER 157.A O no hydrogen 2.779 N/A VAL 211.A N VAL 234.A O no hydrogen 2.916 N/A GLN 212.A N GLU 155.A O no hydrogen 2.832 N/A GLN 212.A NE2 PHE 213.A O no hydrogen 3.364 N/A PHE 213.A N GLN 232.A O no hydrogen 2.806 N/A TYR 214.A N HIS 153.A O no hydrogen 2.867 N/A TYR 214.A OH GLU 155.A OE1 no hydrogen 2.780 N/A GLY 215.A N THR 231.A OG1 no hydrogen 3.060 N/A LEU 216.A N PRO 229.A O no hydrogen 3.033 N/A SER 217.A N ASP 220.A OD2 no hydrogen 2.670 N/A SER 217.A OG ASP 220.A OD2 no hydrogen 3.024 N/A ASP 220.A N SER 217.A O no hydrogen 3.233 N/A TRP 222.A NE1 ARG 226.A O no hydrogen 2.883 N/A ARG 226.A NH1 VAL 119.A O no hydrogen 2.981 N/A ARG 226.A NH2 LYS 117.A O no hydrogen 2.737 N/A ARG 226.A NH2 VAL 119.A O no hydrogen 2.913 N/A LYS 228.A NZ SER 217.A O no hydrogen 2.892 N/A LYS 228.A NZ GLU 218.A O no hydrogen 3.158 N/A LYS 228.A NZ ASP 220.A O no hydrogen 2.756 N/A VAL 230.A N LYS 228.A O no hydrogen 2.775 N/A THR 231.A N LEU 216.A O no hydrogen 3.139 N/A GLN 232.A N PHE 213.A O no hydrogen 2.992 N/A GLN 232.A NE2 VAL 230.A O no hydrogen 2.916 N/A VAL 234.A N VAL 211.A O no hydrogen 2.939 N/A ALA 236.A N CYS 209.A O no hydrogen 3.036 N/A ALA 238.A N PHE 207.A O no hydrogen 2.681 N/A GLY 240.A N ASN 205.A O no hydrogen 2.960 N/A