Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pa4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N VAL 22.A O no hydrogen 2.861 N/A VAL 7.A N LEU 20.A O no hydrogen 2.865 N/A LEU 10.A N VAL 18.A O no hydrogen 2.528 N/A GLY 11.A N VAL 18.A O no hydrogen 3.129 N/A GLY 16.A N TYR 15.A O no hydrogen 2.256 N/A GLY 16.A N ILE 34.A O no hydrogen 2.913 N/A GLU 17.A N ILE 34.A O no hydrogen 3.411 N/A VAL 18.A N GLY 11.A O no hydrogen 2.645 N/A GLN 19.A N VAL 32.A O no hydrogen 2.846 N/A LEU 20.A N GLN 8.A O no hydrogen 2.740 N/A ALA 21.A N VAL 30.A O no hydrogen 2.806 N/A VAL 22.A N ASP 5.A O no hydrogen 2.836 N/A ASN 23.A N GLU 28.A O no hydrogen 2.823 N/A ASN 23.A ND2 VAL 1.A O no hydrogen 2.296 N/A ARG 24.A N ASP 3.A O no hydrogen 3.079 N/A VAL 25.A N ASN 23.A OD1 no hydrogen 2.870 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.912 N/A THR 26.A OG1 GLU 28.A OE1 no hydrogen 2.746 N/A GLU 27.A N ASN 23.A O no hydrogen 2.735 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.149 N/A VAL 30.A N ALA 21.A O no hydrogen 2.912 N/A ALA 31.A N LEU 71.A O no hydrogen 2.856 N/A VAL 32.A N GLN 19.A O no hydrogen 2.724 N/A LYS 33.A N LEU 69.A O no hydrogen 2.802 N/A LYS 33.A NZ GLU 42.A OE2 no hydrogen 2.792 N/A ILE 34.A N GLU 17.A O no hydrogen 2.794 N/A VAL 35.A N GLN 67.A O no hydrogen 2.978 N/A ASP 36.A N TYR 15.A O no hydrogen 2.871 N/A MET 37.A N VAL 35.A O no hydrogen 3.200 N/A MET 37.A N ASP 36.A OD1 no hydrogen 3.440 N/A MET 37.A N ASN 65.A O no hydrogen 2.618 N/A LYS 41.A NZ THR 140.A OG1 no hydrogen 2.709 N/A GLU 42.A N ASN 38.A O no hydrogen 3.131 N/A ILE 43.A N ILE 39.A O no hydrogen 2.954 N/A CYS 44.A N LYS 40.A O no hydrogen 3.018 N/A CYS 44.A SG LYS 40.A O no hydrogen 3.313 N/A ILE 45.A N LYS 41.A O no hydrogen 2.910 N/A ASN 46.A N GLU 42.A O no hydrogen 2.998 N/A ASN 46.A ND2 GLU 42.A O no hydrogen 2.971 N/A LYS 47.A N ILE 43.A O no hydrogen 3.065 N/A MET 48.A N ILE 45.A O no hydrogen 2.928 N/A LEU 49.A N ASN 46.A O no hydrogen 3.148 N/A ASN 50.A N TYR 107.A OH no hydrogen 2.828 N/A ASN 53.A N HIS 51.A ND1 no hydrogen 2.848 N/A ASN 53.A ND2 LEU 131.A O.A no hydrogen 2.899 N/A ASN 53.A ND2 LEU 131.A O.B no hydrogen 2.912 N/A VAL 54.A N HIS 51.A O no hydrogen 3.064 N/A VAL 55.A N ILE 133.A O no hydrogen 2.957 N/A LYS 56.A N GLU 72.A OE1 no hydrogen 2.853 N/A TYR 58.A N PHE 70.A O no hydrogen 2.824 N/A GLY 59.A N PHE 70.A O no hydrogen 3.475 N/A ARG 61.A N TYR 68.A O no hydrogen 2.764 N/A ARG 61.A NE GLU 63.A OE1 no hydrogen 3.320 N/A GLU 63.A N ILE 66.A O no hydrogen 3.013 N/A GLN 67.A N VAL 35.A O no hydrogen 2.993 N/A TYR 68.A N ARG 61.A O no hydrogen 2.613 N/A LEU 69.A N LYS 33.A O no hydrogen 2.906 N/A PHE 70.A N GLY 59.A O no hydrogen 2.776 N/A LEU 71.A N ALA 31.A O no hydrogen 2.781 N/A GLU 72.A N LYS 56.A O no hydrogen 2.843 N/A CYS 74.A SG GLU 72.A O no hydrogen 3.711 N/A GLY 76.A N LEU 125.A O no hydrogen 2.680 N/A GLY 77.A N CYS 74.A O no hydrogen 3.119 N/A LEU 79.A N LEU 123.A O no hydrogen 2.799 N/A PHE 80.A N PRO 120.A O no hydrogen 3.177 N/A ASP 81.A N GLU 78.A O no hydrogen 3.014 N/A ARG 82.A N LEU 79.A O no hydrogen 2.872 N/A ARG 82.A NH1 ASP 129.A OD1 no hydrogen 3.079 N/A ARG 82.A NH1 ASP 129.A OD2 no hydrogen 3.074 N/A ARG 82.A NH2 GLY 76.A O no hydrogen 2.975 N/A ARG 82.A NH2 ASP 129.A OD1 no hydrogen 3.212 N/A ILE 83.A N PHE 80.A O no hydrogen 3.179 N/A GLU 84.A N GLY 88.A O no hydrogen 2.904 N/A ASP 86.A N GLY 191.A O no hydrogen 2.748 N/A ILE 87.A N GLU 84.A O no hydrogen 2.919 N/A GLY 88.A N GLU 84.A O no hydrogen 2.848 N/A ALA 94.A N PRO 90.A O no hydrogen 3.035 N/A GLN 95.A N GLU 91.A O no hydrogen 2.908 N/A GLN 95.A NE2 TRP 251.A O no hydrogen 2.989 N/A GLN 95.A NE2 LYS 254.A O no hydrogen 2.839 N/A ARG 96.A N PRO 92.A O no hydrogen 3.039 N/A ARG 96.A NH1 ASP 129.A O no hydrogen 2.803 N/A ARG 96.A NH2 ARG 128.A O no hydrogen 3.311 N/A ARG 96.A NH2 ASP 129.A O no hydrogen 3.174 N/A PHE 97.A N ASP 93.A O no hydrogen 2.980 N/A PHE 98.A N ALA 94.A O no hydrogen 2.797 N/A HIS 99.A N GLN 95.A O no hydrogen 2.823 N/A HIS 99.A NE2 TYR 252.A O no hydrogen 2.758 N/A GLN 100.A N ARG 96.A O no hydrogen 3.039 N/A GLN 100.A NE2 ASN 130.A OD1 no hydrogen 3.339 N/A LEU 101.A N PHE 97.A O no hydrogen 2.816 N/A MET 102.A N PHE 98.A O no hydrogen 2.891 N/A ALA 103.A N HIS 99.A O no hydrogen 2.998 N/A GLY 104.A N GLN 100.A O no hydrogen 2.971 N/A VAL 105.A N LEU 101.A O no hydrogen 2.801 N/A VAL 106.A N MET 102.A O no hydrogen 2.751 N/A TYR 107.A N ALA 103.A O no hydrogen 3.094 N/A TYR 107.A OH MET 48.A O no hydrogen 3.299 N/A LEU 108.A N GLY 104.A O no hydrogen 2.975 N/A HIS 109.A N VAL 105.A O no hydrogen 2.898 N/A HIS 109.A NE2 ASP 177.A OD2 no hydrogen 2.808 N/A GLY 110.A N VAL 106.A O no hydrogen 2.831 N/A ILE 111.A N TYR 107.A O no hydrogen 3.162 N/A ILE 111.A N LEU 108.A O no hydrogen 3.028 N/A GLY 112.A N HIS 109.A O no hydrogen 3.024 N/A ILE 113.A N LEU 108.A O no hydrogen 2.905 N/A THR 114.A N THR 140.A O no hydrogen 2.952 N/A THR 114.A OG1 ASP 177.A OD2 no hydrogen 2.691 N/A HIS 115.A N ASP 177.A OD2 no hydrogen 3.287 N/A HIS 115.A NE2 SER 134.A O no hydrogen 2.796 N/A ARG 116.A N ASP 177.A OD1 no hydrogen 3.182 N/A ARG 116.A NE LEU 138.A O no hydrogen 2.593 N/A ARG 116.A NH2 LEU 138.A O no hydrogen 3.090 N/A ASP 117.A N HIS 115.A ND1 no hydrogen 2.975 N/A LYS 119.A NZ THR 157.A OG1 no hydrogen 2.832 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.670 N/A ASN 122.A N LYS 119.A O no hydrogen 2.870 N/A ASN 122.A ND2 ASP 117.A O no hydrogen 2.855 N/A ASN 122.A ND2 ASP 117.A OD2 no hydrogen 3.142 N/A LEU 123.A N PRO 120.A O no hydrogen 3.438 N/A LEU 124.A N LYS 132.A O no hydrogen 2.825 N/A LEU 125.A N GLY 77.A O no hydrogen 2.813 N/A ASP 126.A N ASN 130.A O no hydrogen 3.020 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.687 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 2.788 N/A ASP 129.A N ASP 126.A O no hydrogen 3.005 N/A ASN 130.A N ASP 126.A OD1 no hydrogen 2.898 N/A ASN 130.A ND2 ASP 126.A OD1 no hydrogen 3.560 N/A ASN 130.A ND2 ASP 126.A OD2 no hydrogen 3.379 N/A LEU 131.A N.A GLN 100.A OE1 no hydrogen 2.741 N/A LEU 131.A N.B GLN 100.A OE1 no hydrogen 2.759 N/A LYS 132.A N LEU 124.A O no hydrogen 2.703 N/A LYS 132.A NZ GLU 52.A O no hydrogen 2.789 N/A LYS 132.A NZ GLU 72.A OE2 no hydrogen 3.061 N/A ILE 133.A N ASN 53.A O no hydrogen 2.805 N/A SER 134.A N ASN 122.A O no hydrogen 2.859 N/A SER 134.A OG ASP 135.A OD1 no hydrogen 2.446 N/A ALA 139.A N PHE 136.A O no hydrogen 3.147 N/A THR 140.A N THR 114.A O no hydrogen 3.043 N/A PHE 142.A N GLY 112.A O no hydrogen 2.798 N/A ARG 143.A N GLY 112.A O no hydrogen 3.410 N/A ARG 143.A NH1 HIS 109.A O no hydrogen 2.831 N/A ARG 143.A NH2 HIS 109.A O no hydrogen 3.316 N/A TYR 144.A N ARG 147.A O no hydrogen 3.006 N/A ARG 147.A N TYR 144.A O no hydrogen 2.925 N/A ARG 149.A N.A PHE 142.A O no hydrogen 2.782 N/A ARG 149.A N.B PHE 142.A O no hydrogen 2.802 N/A LEU 151.A N PHE 171.A O no hydrogen 2.898 N/A THR 157.A OG1 ASP 117.A OD1 no hydrogen 2.743 N/A TYR 160.A N THR 157.A O no hydrogen 2.784 N/A VAL 161.A N LEU 158.A O no hydrogen 3.212 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.704 N/A LEU 165.A N.A ALA 162.A O no hydrogen 3.096 N/A LEU 165.A N.B ALA 162.A O no hydrogen 3.090 N/A LEU 166.A N PRO 163.A O no hydrogen 2.993 N/A LYS 167.A N PRO 163.A O no hydrogen 3.205 N/A LYS 167.A N GLU 164.A O no hydrogen 3.220 N/A ARG 168.A N GLU 164.A O no hydrogen 2.827 N/A PHE 171.A N LEU 151.A O no hydrogen 2.975 N/A HIS 172.A ND1 GLU 148.A OE2 no hydrogen 2.795 N/A VAL 176.A N ALA 173.A O no hydrogen 3.150 N/A ASP 177.A N ALA 173.A O no hydrogen 3.402 N/A VAL 178.A N GLU 174.A O no hydrogen 3.017 N/A TRP 179.A N PRO 175.A O no hydrogen 2.998 N/A SER 180.A N VAL 176.A O no hydrogen 3.122 N/A SER 180.A OG VAL 176.A O no hydrogen 3.473 N/A SER 180.A OG ASP 177.A O no hydrogen 2.921 N/A CYS 181.A N ASP 177.A O no hydrogen 3.054 N/A CYS 181.A SG ASP 177.A O no hydrogen 3.292 N/A GLY 182.A N VAL 178.A O no hydrogen 3.059 N/A ILE 183.A N TRP 179.A O no hydrogen 3.021 N/A VAL 184.A N SER 180.A O no hydrogen 2.898 N/A LEU 185.A N CYS 181.A O no hydrogen 2.907 N/A THR 186.A N GLY 182.A O no hydrogen 2.883 N/A THR 186.A OG1 GLY 182.A O no hydrogen 2.970 N/A ALA 187.A N ILE 183.A O no hydrogen 2.924 N/A MET 188.A N VAL 184.A O no hydrogen 2.906 N/A LEU 189.A N LEU 185.A O no hydrogen 3.031 N/A LEU 189.A N THR 186.A O no hydrogen 3.218 N/A ALA 190.A N THR 186.A O no hydrogen 2.942 N/A GLY 191.A N ALA 187.A O no hydrogen 2.748 N/A GLN 197.A NE2 SER 199.A OG.A no hydrogen 2.327 N/A SER 199.A OG.B SER 201.A OG no hydrogen 3.191 N/A SER 201.A OG SER 199.A OG.B no hydrogen 3.191 N/A CYS 202.A N SER 199.A O.A no hydrogen 2.975 N/A CYS 202.A N SER 199.A O.B no hydrogen 3.013 N/A CYS 202.A SG GLU 204.A OE1 no hydrogen 3.704 N/A GLN 203.A NE2 ASP 207.A OD1 no hydrogen 3.037 N/A TYR 205.A N CYS 202.A O no hydrogen 2.993 N/A SER 206.A N CYS 202.A O no hydrogen 3.054 N/A SER 206.A OG CYS 202.A O no hydrogen 3.424 N/A ASP 207.A N GLN 203.A O no hydrogen 2.917 N/A TRP 208.A N GLU 204.A O no hydrogen 3.218 N/A TRP 208.A NE1 LEU 233.A O no hydrogen 2.951 N/A LYS 209.A N TYR 205.A O no hydrogen 2.982 N/A GLU 210.A N SER 206.A O no hydrogen 2.889 N/A LYS 211.A N TRP 208.A O no hydrogen 2.838 N/A LYS 212.A N ASP 207.A O no hydrogen 3.075 N/A LYS 212.A NZ ASP 207.A OD1 no hydrogen 3.272 N/A THR 213.A N LYS 211.A O no hydrogen 2.802 N/A LEU 215.A N LYS 212.A O no hydrogen 3.315 N/A LYS 219.A N LEU 215.A O no hydrogen 2.977 N/A LYS 219.A NZ TYR 214.A O no hydrogen 2.805 N/A LYS 220.A N PRO 217.A O no hydrogen 3.015 N/A LYS 220.A NZ ASP 86.A O no hydrogen 3.233 N/A LYS 220.A NZ ASP 86.A OD1 no hydrogen 2.745 N/A LYS 220.A NZ ALA 190.A O no hydrogen 2.933 N/A LYS 220.A NZ GLU 192.A OE2 no hydrogen 2.842 N/A ILE 221.A N TRP 218.A O no hydrogen 3.004 N/A ALA 224.A N ASP 222.A OD2 no hydrogen 3.088 N/A LEU 226.A N ASP 222.A O no hydrogen 2.970 N/A ALA 227.A N SER 223.A O no hydrogen 2.837 N/A LEU 228.A N ALA 224.A O no hydrogen 3.369 N/A LEU 229.A N PRO 225.A O no hydrogen 2.943 N/A HIS 230.A N LEU 226.A O no hydrogen 2.881 N/A LYS 231.A N LEU 228.A O no hydrogen 2.929 N/A LYS 231.A NZ ASP 249.A OD1 no hydrogen 2.704 N/A ILE 232.A N LEU 228.A O no hydrogen 2.990 N/A LEU 233.A N LEU 229.A O no hydrogen 2.923 N/A SER 238.A N ASN 236.A OD1 no hydrogen 2.815 N/A ALA 239.A N ASN 236.A O no hydrogen 2.915 N/A ARG 240.A NE VAL 234.A O no hydrogen 2.944 N/A ARG 240.A NH1 GLU 164.A OE1 no hydrogen 3.541 N/A ARG 240.A NH1 GLU 164.A OE2 no hydrogen 2.822 N/A ARG 240.A NH1 PRO 175.A O no hydrogen 2.883 N/A ARG 240.A NH2 GLU 164.A OE1 no hydrogen 2.843 N/A ARG 240.A NH2 VAL 234.A O no hydrogen 2.922 N/A ARG 240.A NH2 GLU 235.A O no hydrogen 3.098 N/A ILE 241.A N LYS 231.A O no hydrogen 3.120 N/A ILE 246.A N THR 242.A O no hydrogen 2.923 N/A LYS 247.A N ILE 243.A O no hydrogen 2.997 N/A LYS 248.A N ASP 245.A O no hydrogen 2.934 N/A LYS 248.A NZ ASP 245.A OD1 no hydrogen 2.775 N/A ASP 249.A N ILE 246.A O no hydrogen 2.924 N/A TRP 251.A NE1 GLU 91.A OE2 no hydrogen 2.781 N/A TYR 252.A N ASP 249.A OD2 no hydrogen 2.883 N/A ASN 253.A N ASP 249.A O no hydrogen 3.127 N/A ASN 253.A N ARG 250.A O no hydrogen 3.177 N/A ASN 253.A ND2 LYS 247.A O no hydrogen 2.837 N/A ASN 253.A ND2 ASP 249.A O no hydrogen 2.984 N/A LYS 254.A N TRP 251.A O no hydrogen 3.014 N/A