Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pnu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLN 1.A O no hydrogen 2.633 N/A ASN 6.A N PRO 2.A O no hydrogen 2.798 N/A VAL 7.A N ILE 3.A O no hydrogen 3.039 N/A LEU 8.A N PHE 4.A O no hydrogen 3.082 N/A GLU 9.A N.A LEU 5.A O no hydrogen 2.970 N/A GLU 9.A N.B LEU 5.A O no hydrogen 2.970 N/A ALA 10.A N ASN 6.A O no hydrogen 2.940 N/A ILE 11.A N VAL 7.A O no hydrogen 3.035 N/A GLU 12.A N GLU 9.A O.A no hydrogen 3.373 N/A GLU 12.A N GLU 9.A O.B no hydrogen 3.381 N/A ALA 18.A N ASP 98.A OD1 no hydrogen 2.972 N/A GLY 19.A N ASP 98.A OD2 no hydrogen 2.601 N/A HIS 20.A ND1 SER 34.A OG no hydrogen 2.655 N/A ASN 22.A ND2 ASP 98.A O no hydrogen 2.894 N/A ASN 23.A N ASP 21.A OD2 no hydrogen 2.813 N/A ASN 23.A ND2 ASP 21.A OD2 no hydrogen 3.228 N/A GLN 24.A N ASP 21.A O no hydrogen 3.473 N/A ALA 30.A N SER 27.A OG no hydrogen 3.042 N/A LEU 31.A N SER 27.A O no hydrogen 2.905 N/A LEU 32.A N PHE 28.A O no hydrogen 2.916 N/A SER 33.A N.A ALA 29.A O no hydrogen 3.021 N/A SER 33.A N.B ALA 29.A O no hydrogen 3.029 N/A SER 33.A OG.B ALA 29.A O no hydrogen 2.661 N/A SER 34.A N ALA 30.A O no hydrogen 3.046 N/A SER 34.A OG HIS 20.A ND1 no hydrogen 2.655 N/A SER 34.A OG ALA 30.A O no hydrogen 3.277 N/A LEU 35.A N LEU 31.A O no hydrogen 2.929 N/A ASN 36.A N LEU 32.A O no hydrogen 2.847 N/A GLU 37.A N SER 33.A O.A no hydrogen 3.004 N/A GLU 37.A N SER 33.A O.B no hydrogen 2.975 N/A LEU 38.A N SER 34.A O no hydrogen 2.879 N/A GLY 39.A N LEU 35.A O no hydrogen 2.770 N/A GLU 40.A N ASN 36.A O no hydrogen 2.928 N/A ARG 41.A N GLU 37.A O no hydrogen 3.106 N/A ARG 41.A NE GLU 37.A OE1 no hydrogen 2.710 N/A ARG 41.A NH1 CYS 17.A O no hydrogen 2.756 N/A ARG 41.A NH2 GLU 37.A OE1 no hydrogen 3.149 N/A GLN 42.A N LEU 38.A O no hydrogen 2.778 N/A LEU 43.A N GLY 39.A O no hydrogen 2.895 N/A VAL 44.A N GLU 40.A O no hydrogen 3.320 N/A HIS 45.A N ARG 41.A O no hydrogen 3.224 N/A VAL 46.A N GLN 42.A O no hydrogen 2.775 N/A VAL 47.A N LEU 43.A O no hydrogen 3.001 N/A LYS 48.A N VAL 44.A O no hydrogen 3.327 N/A TRP 49.A N HIS 45.A O no hydrogen 2.918 N/A ALA 50.A N VAL 46.A O no hydrogen 2.852 N/A LYS 51.A N VAL 47.A O no hydrogen 3.117 N/A ALA 52.A N TRP 49.A O no hydrogen 2.983 N/A LEU 53.A N ALA 50.A O no hydrogen 3.009 N/A PHE 56.A N LEU 53.A O no hydrogen 3.164 N/A ASN 58.A N GLY 55.A O no hydrogen 3.103 N/A LEU 59.A N PHE 56.A O no hydrogen 3.080 N/A ASP 62.A N HIS 60.A ND1 no hydrogen 2.877 N/A GLN 64.A N HIS 60.A O no hydrogen 2.902 N/A MET 65.A N VAL 61.A O no hydrogen 3.439 N/A ALA 66.A N ASP 62.A O no hydrogen 3.171 N/A VAL 67.A N.A ASP 63.A O no hydrogen 2.836 N/A VAL 67.A N.B ASP 63.A O no hydrogen 2.816 N/A ILE 68.A N GLN 64.A O no hydrogen 3.107 N/A GLN 69.A N MET 65.A O no hydrogen 2.905 N/A TYR 70.A N ALA 66.A O no hydrogen 2.854 N/A SER 71.A N VAL 67.A O.A no hydrogen 2.950 N/A SER 71.A N VAL 67.A O.B no hydrogen 2.997 N/A SER 71.A OG VAL 67.A O.A no hydrogen 2.763 N/A SER 71.A OG VAL 67.A O.B no hydrogen 2.784 N/A SER 71.A OG ILE 68.A O no hydrogen 3.519 N/A TRP 72.A N ILE 68.A O no hydrogen 2.901 N/A LEU 75.A N SER 71.A O no hydrogen 2.944 N/A MET 76.A N TRP 72.A O no hydrogen 2.854 N/A VAL 77.A N MET 73.A O no hydrogen 2.879 N/A PHE 78.A N GLY 74.A O no hydrogen 2.993 N/A ALA 79.A N LEU 75.A O no hydrogen 2.887 N/A MET 80.A N MET 76.A O no hydrogen 2.896 N/A GLY 81.A N VAL 77.A O no hydrogen 2.901 N/A TRP 82.A N PHE 78.A O no hydrogen 3.012 N/A ARG 83.A N ALA 79.A O no hydrogen 2.927 N/A ARG 83.A NE TYR 94.A O no hydrogen 3.156 N/A ARG 83.A NH2 PHE 95.A O no hydrogen 2.944 N/A SER 84.A N MET 80.A O no hydrogen 2.915 N/A SER 84.A OG MET 80.A O no hydrogen 2.890 N/A SER 84.A OG MET 92.A O no hydrogen 3.517 N/A PHE 85.A N GLY 81.A O no hydrogen 3.044 N/A THR 86.A N TRP 82.A O no hydrogen 2.928 N/A THR 86.A OG1 TRP 82.A O no hydrogen 3.349 N/A THR 86.A OG1 ARG 83.A O no hydrogen 3.340 N/A THR 86.A OG1 ASN 87.A OD1.A no hydrogen 3.009 N/A ASN 87.A N.A ARG 83.A O no hydrogen 2.917 N/A ASN 87.A N.B ARG 83.A O no hydrogen 2.921 N/A VAL 88.A N SER 84.A O no hydrogen 3.026 N/A SER 90.A N SER 84.A O no hydrogen 2.903 N/A SER 90.A OG SER 122.A OG no hydrogen 2.722 N/A ARG 91.A N VAL 88.A O no hydrogen 2.870 N/A LEU 93.A N PHE 101.A O no hydrogen 3.188 N/A TYR 94.A N SER 84.A OG no hydrogen 2.855 N/A ALA 96.A N LEU 99.A O no hydrogen 3.272 N/A LEU 99.A N ALA 96.A O no hydrogen 2.931 N/A PHE 101.A N LEU 93.A O no hydrogen 2.819 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.847 N/A ARG 105.A NE ASP 26.A OD1 no hydrogen 3.447 N/A ARG 105.A NE ASP 26.A OD2 no hydrogen 2.807 N/A ARG 105.A NH1 ASN 22.A OD1 no hydrogen 3.340 N/A ARG 105.A NH1 VAL 100.A O no hydrogen 2.922 N/A ARG 105.A NH2 ASN 22.A OD1 no hydrogen 2.800 N/A ARG 105.A NH2 ASP 26.A OD2 no hydrogen 3.326 N/A MET 106.A N ASN 102.A O no hydrogen 3.070 N/A HIS 107.A N GLU 103.A O no hydrogen 3.140 N/A LYS 108.A N TYR 104.A O no hydrogen 2.854 N/A SER 109.A N ARG 105.A O no hydrogen 2.852 N/A SER 109.A OG ARG 105.A O no hydrogen 2.987 N/A SER 109.A OG MET 106.A O no hydrogen 2.924 N/A ARG 110.A N HIS 107.A O no hydrogen 2.939 N/A MET 111.A N.A SER 109.A OG no hydrogen 3.259 N/A MET 111.A N.B SER 109.A OG no hydrogen 3.266 N/A TYR 112.A OH GLU 103.A OE1 no hydrogen 3.387 N/A TYR 112.A OH GLU 103.A OE2 no hydrogen 2.631 N/A CYS 115.A N MET 111.A O.A no hydrogen 2.863 N/A CYS 115.A N MET 111.A O.B no hydrogen 2.828 N/A CYS 115.A SG MET 111.A O.A no hydrogen 3.208 N/A CYS 115.A SG MET 111.A O.B no hydrogen 3.453 N/A VAL 116.A N TYR 112.A O no hydrogen 2.880 N/A ARG 117.A N SER 113.A O no hydrogen 3.307 N/A MET 118.A N GLN 114.A O no hydrogen 2.991 N/A ARG 119.A N CYS 115.A O no hydrogen 2.796 N/A ARG 119.A NH1 GLU 103.A OE1 no hydrogen 2.738 N/A ARG 119.A NH2 GLU 103.A OE1 no hydrogen 2.874 N/A HIS 120.A N VAL 116.A O no hydrogen 2.970 N/A LEU 121.A N ARG 117.A O no hydrogen 3.049 N/A SER 122.A N MET 118.A O no hydrogen 3.060 N/A SER 122.A OG GLY 81.A O no hydrogen 2.894 N/A SER 122.A OG SER 90.A OG no hydrogen 2.722 N/A GLN 123.A N ARG 119.A O no hydrogen 2.941 N/A GLU 124.A N.A HIS 120.A O no hydrogen 3.118 N/A GLU 124.A N.A LEU 121.A O no hydrogen 2.970 N/A GLU 124.A N.B HIS 120.A O no hydrogen 3.112 N/A GLU 124.A N.B LEU 121.A O no hydrogen 2.960 N/A PHE 125.A N SER 122.A O no hydrogen 3.176 N/A GLY 126.A N GLN 123.A O no hydrogen 2.984 N/A TRP 127.A N GLN 123.A O no hydrogen 2.924 N/A LEU 128.A N GLU 124.A O.A no hydrogen 2.807 N/A LEU 128.A N GLU 124.A O.B no hydrogen 2.826 N/A GLN 129.A N GLY 126.A O no hydrogen 3.113 N/A ILE 130.A N PHE 125.A O no hydrogen 2.995 N/A THR 131.A N GLU 134.A OE1 no hydrogen 2.953 N/A GLU 134.A N THR 131.A OG1 no hydrogen 2.928 N/A PHE 135.A N THR 131.A O no hydrogen 2.914 N/A LEU 136.A N PRO 132.A O no hydrogen 3.017 N/A CYS 137.A N.A GLN 133.A O no hydrogen 3.049 N/A CYS 137.A N.B GLN 133.A O no hydrogen 3.058 N/A CYS 137.A SG.A GLN 133.A O no hydrogen 3.496 N/A MET 138.A N.A GLU 134.A O no hydrogen 2.877 N/A MET 138.A N.B GLU 134.A O no hydrogen 2.850 N/A LYS 139.A N PHE 135.A O no hydrogen 2.877 N/A LYS 139.A NZ GLU 12.A OE1 no hydrogen 2.810 N/A ALA 140.A N LEU 136.A O no hydrogen 3.091 N/A LEU 141.A N CYS 137.A O.A no hydrogen 3.022 N/A LEU 141.A N CYS 137.A O.B no hydrogen 3.045 N/A LEU 142.A N MET 138.A O.A no hydrogen 2.936 N/A LEU 142.A N MET 138.A O.B no hydrogen 3.046 N/A LEU 143.A N ALA 140.A O no hydrogen 3.168 N/A PHE 144.A N LEU 141.A O no hydrogen 2.927 N/A SER 145.A N LEU 142.A O no hydrogen 3.158 N/A SER 145.A OG LEU 141.A O no hydrogen 2.791 N/A ILE 147.A N LYS 238.A O no hydrogen 3.137 N/A VAL 149.A N LYS 236.A O no hydrogen 2.841 N/A GLY 151.A N PRO 148.A O.A no hydrogen 2.858 N/A GLY 151.A N PRO 148.A O.B no hydrogen 2.897 N/A LEU 152.A N GLN 155.A OE1 no hydrogen 2.724 N/A LYS 153.A N ASP 63.A OD1 no hydrogen 2.925 N/A ASN 154.A N ASP 63.A OD2 no hydrogen 2.794 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.906 N/A PHE 157.A N ASN 154.A O no hydrogen 3.236 N/A PHE 158.A N ASN 154.A O no hydrogen 3.376 N/A ASP 159.A N GLN 155.A O no hydrogen 2.969 N/A GLU 160.A N LYS 156.A O no hydrogen 3.210 N/A LEU 161.A N PHE 157.A O no hydrogen 2.932 N/A ARG 162.A N PHE 158.A O no hydrogen 2.894 N/A ARG 162.A NH1 PHE 144.A O no hydrogen 2.849 N/A ARG 162.A NH1 SER 145.A OG no hydrogen 3.322 N/A MET 163.A N ASP 159.A O no hydrogen 3.046 N/A ASN 164.A N GLU 160.A O no hydrogen 3.109 N/A TYR 165.A N LEU 161.A O no hydrogen 2.945 N/A TYR 165.A OH PRO 54.A O no hydrogen 2.798 N/A ILE 166.A N ARG 162.A O no hydrogen 2.992 N/A LYS 167.A N MET 163.A O no hydrogen 3.009 N/A GLU 168.A N ASN 164.A O no hydrogen 3.041 N/A LEU 169.A N TYR 165.A O no hydrogen 3.159 N/A ASP 170.A N ILE 166.A O no hydrogen 2.981 N/A ARG 171.A N LYS 167.A O no hydrogen 2.922 N/A ARG 171.A NH2 GLU 168.A OE1 no hydrogen 2.894 N/A ILE 172.A N GLU 168.A O no hydrogen 3.124 N/A ILE 173.A N LEU 169.A O no hydrogen 3.296 N/A ALA 174.A N ASP 170.A O no hydrogen 3.001 N/A CYS 175.A N ARG 171.A O no hydrogen 3.001 N/A CYS 178.A SG ILE 173.A O no hydrogen 4.025 N/A ARG 180.A N THR 176.A O no hydrogen 3.163 N/A ARG 181.A N SER 177.A O no hydrogen 2.976 N/A ARG 181.A NE GLU 134.A OE2 no hydrogen 2.983 N/A ARG 181.A NH1 LEU 128.A O no hydrogen 2.801 N/A ARG 181.A NH1 GLN 184.A OE1 no hydrogen 3.208 N/A ARG 181.A NH2 LEU 128.A O no hydrogen 2.947 N/A ARG 181.A NH2 GLN 129.A O no hydrogen 3.103 N/A ARG 181.A NH2 GLU 134.A OE1 no hydrogen 2.776 N/A ARG 181.A NH2 GLU 134.A OE2 no hydrogen 3.432 N/A PHE 182.A N CYS 178.A O no hydrogen 2.871 N/A TYR 183.A N SER 179.A O no hydrogen 3.028 N/A GLN 184.A N ARG 180.A O no hydrogen 2.998 N/A LEU 185.A N ARG 181.A O no hydrogen 2.889 N/A THR 186.A N PHE 182.A O no hydrogen 2.957 N/A THR 186.A OG1 PHE 182.A O no hydrogen 2.869 N/A THR 186.A OG1 TYR 183.A O no hydrogen 3.059 N/A THR 186.A OG1 HIS 243.A NE2 no hydrogen 2.839 N/A LYS 187.A N TYR 183.A O no hydrogen 3.003 N/A LEU 188.A N GLN 184.A O no hydrogen 2.974 N/A LEU 189.A N LEU 185.A O no hydrogen 2.891 N/A ASP 190.A N THR 186.A O no hydrogen 2.950 N/A SER 191.A N LYS 187.A O no hydrogen 3.101 N/A SER 191.A OG LEU 188.A O no hydrogen 2.644 N/A VAL 192.A N LEU 189.A O no hydrogen 3.074 N/A GLN 193.A N ASP 190.A O no hydrogen 3.258 N/A ALA 196.A N VAL 192.A O no hydrogen 2.923 N/A ARG 197.A N GLN 193.A O no hydrogen 2.936 N/A ARG 197.A NH2 LEU 233.A O no hydrogen 3.333 N/A GLU 198.A N.A PRO 194.A O no hydrogen 3.170 N/A GLU 198.A N.B PRO 194.A O no hydrogen 3.182 N/A LEU 199.A N ILE 195.A O no hydrogen 3.194 N/A HIS 200.A N ALA 196.A O no hydrogen 2.796 N/A GLN 201.A N ARG 197.A O no hydrogen 2.958 N/A GLN 201.A NE2 GLN 201.A O no hydrogen 3.494 N/A GLN 201.A NE2 ASP 205.A OD1 no hydrogen 3.014 N/A GLN 201.A NE2 ASP 205.A OD2 no hydrogen 3.321 N/A PHE 202.A N GLU 198.A O.A no hydrogen 2.998 N/A PHE 202.A N GLU 198.A O.B no hydrogen 2.940 N/A THR 203.A N.A LEU 199.A O no hydrogen 2.820 N/A THR 203.A N.B LEU 199.A O no hydrogen 2.794 N/A THR 203.A OG1.B LEU 199.A O no hydrogen 2.634 N/A PHE 204.A N HIS 200.A O no hydrogen 2.958 N/A ASP 205.A N GLN 201.A O no hydrogen 2.926 N/A LEU 206.A N PHE 202.A O no hydrogen 2.884 N/A LEU 207.A N THR 203.A O.A no hydrogen 2.932 N/A LEU 207.A N THR 203.A O.B no hydrogen 2.995 N/A ILE 208.A N PHE 204.A O no hydrogen 3.103 N/A LYS 209.A N ASP 205.A O no hydrogen 3.205 N/A LYS 209.A N LEU 206.A O no hydrogen 3.226 N/A SER 210.A N LEU 207.A O no hydrogen 3.206 N/A SER 210.A OG LEU 207.A O no hydrogen 2.863 N/A MET 212.A N LYS 209.A O no hydrogen 2.837 N/A VAL 213.A N LYS 209.A O no hydrogen 3.264 N/A VAL 215.A N SER 210.A O no hydrogen 3.133 N/A PHE 217.A N VAL 215.A O no hydrogen 3.048 N/A MET 221.A N.B PRO 218.A O no hydrogen 2.940 N/A ALA 222.A N PRO 218.A O no hydrogen 3.082 N/A GLU 223.A N GLU 219.A O no hydrogen 3.155 N/A ILE 224.A N MET 220.A O no hydrogen 3.117 N/A ILE 225.A N MET 221.A O.A no hydrogen 2.846 N/A ILE 225.A N MET 221.A O.B no hydrogen 2.814 N/A SER 226.A N ALA 222.A O no hydrogen 2.960 N/A SER 226.A OG ALA 222.A O no hydrogen 3.104 N/A SER 226.A OG GLU 223.A O no hydrogen 3.048 N/A VAL 227.A N GLU 223.A O no hydrogen 2.980 N/A GLN 228.A N ILE 224.A O no hydrogen 2.833 N/A GLN 228.A NE2 GLN 69.A OE1 no hydrogen 2.933 N/A LYS 231.A N GLN 228.A O no hydrogen 3.051 N/A LYS 231.A NZ GLN 228.A OE1 no hydrogen 2.742 N/A LEU 233.A N VAL 229.A O no hydrogen 2.976 N/A SER 234.A N PRO 230.A O no hydrogen 2.827 N/A SER 234.A OG PRO 230.A O no hydrogen 2.873 N/A SER 234.A OG LYS 231.A O no hydrogen 3.386 N/A GLY 235.A N ILE 232.A O no hydrogen 3.077 N/A LYS 236.A N LYS 231.A O no hydrogen 2.798 N/A VAL 237.A N LYS 231.A O no hydrogen 3.036 N/A LYS 238.A N ILE 147.A O no hydrogen 2.995 N/A ILE 240.A N SER 145.A O no hydrogen 2.743 N/A PHE 242.A N ASP 190.A OD1 no hydrogen 2.899 N/A PHE 242.A N ASP 190.A OD2 no hydrogen 3.234 N/A HIS 243.A N ASP 190.A OD2 no hydrogen 2.897 N/A HIS 243.A NE2 THR 186.A OG1 no hydrogen 2.839 N/A GLN 245.A NE2 HIS 243.A O no hydrogen 2.888 N/A