Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 16.A O no hydrogen 2.937 N/A GLN 3.A N VAL 14.A O no hydrogen 2.904 N/A GLN 3.A NE2.A GLU 5.A OE2.A no hydrogen 2.607 N/A GLU 5.A N THR 12.A O no hydrogen 3.106 N/A GLU 6.A N GLU 5.A OE2.B no hydrogen 2.856 N/A ASN 7.A N ILE 10.A O no hydrogen 2.923 N/A HIS 9.A N ASN 7.A OD1 no hydrogen 2.818 N/A ILE 10.A N ASN 7.A OD1 no hydrogen 2.994 N/A GLN 11.A N GLN 197.A O no hydrogen 2.912 N/A GLN 11.A NE2.B ASN 7.A O no hydrogen 3.249 N/A THR 12.A N GLU 5.A O no hydrogen 2.919 N/A LEU 13.A N LEU 195.A O no hydrogen 2.914 N/A VAL 14.A N GLN 3.A O no hydrogen 2.775 N/A TYR 15.A N TYR 193.A O no hydrogen 2.923 N/A GLN 16.A N MET 1.A O no hydrogen 2.936 N/A GLN 16.A NE2 ASP 27.A O no hydrogen 3.547 N/A GLN 16.A NE2 THR 192.A OG1 no hydrogen 2.874 N/A LEU 17.A N LEU 191.A O no hydrogen 2.894 N/A ASN 18.A ND2 LYS 22.A O no hydrogen 2.972 N/A ASN 18.A ND2 SER 23.A O no hydrogen 3.154 N/A LYS 19.A N ASP 190.A OD1 no hydrogen 2.890 N/A GLU 20.A N ARG 187.A O no hydrogen 2.894 N/A LYS 22.A N LYS 19.A O no hydrogen 3.083 N/A LYS 22.A NZ ASP 190.A OD2 no hydrogen 2.812 N/A CYS 25.A SG ASP 27.A O no hydrogen 3.572 N/A GLY 26.A N ASP 190.A OD2 no hydrogen 2.802 N/A SER 28.A N ALA 43.A O no hydrogen 2.922 N/A SER 28.A OG.A SER 56.A OG no hydrogen 2.817 N/A SER 28.A OG.B SER 56.A O no hydrogen 2.723 N/A PHE 30.A N ALA 41.A O no hydrogen 2.918 N/A LYS 32.A N ILE 39.A O no hydrogen 2.894 N/A ASP 34.A N GLU 37.A O no hydrogen 2.967 N/A LYS 36.A N ASP 34.A OD1 no hydrogen 2.809 N/A GLU 37.A N ASP 34.A OD1 no hydrogen 2.831 N/A LEU 38.A N ILE 95.A O no hydrogen 2.879 N/A ILE 39.A N LYS 32.A O no hydrogen 2.906 N/A CYS 40.A N LEU 93.A O no hydrogen 2.921 N/A ALA 41.A N PHE 30.A O no hydrogen 2.901 N/A VAL 42.A N SER 91.A O no hydrogen 3.058 N/A ALA 43.A N SER 28.A O no hydrogen 2.991 N/A ASP 44.A N THR 89.A O no hydrogen 2.847 N/A GLY 45.A N GLY 26.A O no hydrogen 2.948 N/A LEU 46.A N GLY 87.A O no hydrogen 2.858 N/A LEU 51.A N.A SER 48.A O.B no hydrogen 2.943 N/A ALA 52.A N SER 48.A O.A no hydrogen 3.370 N/A ALA 52.A N SER 48.A O.B no hydrogen 3.244 N/A ALA 52.A N GLY 49.A O.B no hydrogen 3.195 N/A ASN 53.A N GLY 49.A O.A no hydrogen 2.806 N/A ASN 53.A N GLY 49.A O.B no hydrogen 3.482 N/A ASN 53.A ND2 CYS 25.A O no hydrogen 2.847 N/A GLU 54.A N SER 50.A O.A no hydrogen 2.934 N/A GLU 54.A N SER 50.A O.B no hydrogen 2.771 N/A SER 55.A N LEU 51.A O.A no hydrogen 3.319 N/A SER 55.A N LEU 51.A O.B no hydrogen 3.358 N/A SER 55.A OG GLY 87.A O no hydrogen 3.412 N/A SER 56.A N ALA 52.A O no hydrogen 3.033 N/A SER 56.A OG GLY 26.A O no hydrogen 2.810 N/A SER 56.A OG SER 28.A OG.A no hydrogen 2.817 N/A SER 56.A OG ALA 52.A O no hydrogen 3.406 N/A SER 56.A OG ASN 53.A O no hydrogen 3.461 N/A ALA 57.A N ASN 53.A O no hydrogen 2.695 N/A ALA 58.A N GLU 54.A O no hydrogen 3.082 N/A ILE 59.A N SER 55.A O no hydrogen 3.414 N/A LYS 60.A N SER 56.A O no hydrogen 3.070 N/A ASP 61.A N.A ALA 57.A O no hydrogen 2.983 N/A ASP 61.A N.B ALA 57.A O no hydrogen 2.979 N/A LEU 62.A N ALA 58.A O no hydrogen 2.999 N/A VAL 63.A N ILE 59.A O no hydrogen 2.896 N/A GLU 64.A N LYS 60.A O no hydrogen 3.170 N/A ASN 65.A N ASP 61.A O.A no hydrogen 3.046 N/A ASN 65.A N ASP 61.A O.B no hydrogen 3.023 N/A ASN 65.A ND2.B ASP 61.A O.A no hydrogen 2.797 N/A ASN 65.A ND2.B ASP 61.A O.B no hydrogen 2.818 N/A TYR 66.A N LEU 62.A O no hydrogen 2.851 N/A GLU 69.A N TYR 66.A O no hydrogen 2.857 N/A SER 73.A N ASP 70.A OD2.A no hydrogen 3.056 N/A SER 73.A OG.A GLU 69.A OE1 no hydrogen 2.627 N/A SER 73.A OG.B ASP 70.A OD1.A no hydrogen 2.662 N/A SER 73.A OG.B ASP 70.A OD2.A no hydrogen 3.216 N/A ILE 74.A N ASP 70.A O no hydrogen 3.026 N/A ILE 75.A N VAL 71.A O no hydrogen 2.941 N/A GLU 76.A N GLU 72.A O no hydrogen 3.122 N/A ARG 77.A N SER 73.A O no hydrogen 3.175 N/A ARG 77.A NE GLU 69.A OE1 no hydrogen 2.916 N/A ARG 77.A NE GLU 69.A OE2 no hydrogen 3.408 N/A ARG 77.A NH2 GLU 69.A OE2 no hydrogen 2.724 N/A CYS 78.A N ILE 74.A O no hydrogen 3.000 N/A CYS 78.A SG ILE 74.A O no hydrogen 3.383 N/A ASN 79.A N ILE 75.A O no hydrogen 2.814 N/A ASN 79.A ND2 GLU 76.A OE1 no hydrogen 3.434 N/A ASN 79.A ND2 LYS 134.A O no hydrogen 2.896 N/A GLN 80.A N.A GLU 76.A O no hydrogen 2.929 N/A GLN 80.A N.B GLU 76.A O no hydrogen 2.909 N/A GLN 80.A NE2.A GLU 76.A OE2 no hydrogen 3.070 N/A GLN 80.A NE2.B GLU 76.A OE2 no hydrogen 3.139 N/A ALA 81.A N ARG 77.A O no hydrogen 3.068 N/A MET 82.A N ASN 79.A O no hydrogen 3.010 N/A LYS 83.A N GLN 80.A O.A no hydrogen 3.351 N/A LYS 83.A N GLN 80.A O.B no hydrogen 3.360 N/A LYS 83.A NZ.A GLN 80.A O.A no hydrogen 3.127 N/A LYS 83.A NZ.A GLN 80.A O.B no hydrogen 3.090 N/A LYS 85.A N MET 82.A O no hydrogen 2.885 N/A LYS 85.A NZ ALA 81.A O no hydrogen 2.759 N/A GLY 87.A N SER 55.A OG no hydrogen 3.093 N/A ALA 88.A N LEU 131.A O no hydrogen 3.140 N/A THR 89.A N ASP 44.A O no hydrogen 2.884 N/A THR 89.A OG1 ASP 44.A O no hydrogen 3.460 N/A ALA 90.A N VAL 107.A O no hydrogen 2.976 N/A SER 91.A N VAL 42.A O no hydrogen 2.969 N/A SER 91.A OG TYR 104.A OH no hydrogen 2.860 N/A SER 91.A OG SER 106.A OG no hydrogen 2.858 N/A SER 91.A OG VAL 110.A O no hydrogen 3.116 N/A ILE 92.A N CYS 105.A O no hydrogen 2.851 N/A LEU 93.A N CYS 40.A O no hydrogen 2.905 N/A LYS 94.A N THR 103.A O no hydrogen 2.907 N/A LYS 94.A NZ.A ALA 67.A O no hydrogen 2.490 N/A LYS 94.A NZ.A GLU 69.A O no hydrogen 3.399 N/A LYS 94.A NZ.B ALA 67.A O no hydrogen 3.026 N/A LYS 94.A NZ.B GLU 69.A O no hydrogen 2.717 N/A ILE 95.A N LEU 38.A O no hydrogen 2.955 N/A ASN 96.A N GLN 101.A O no hydrogen 2.830 N/A PHE 97.A N LYS 36.A O no hydrogen 3.045 N/A GLN 99.A N ASN 96.A OD1 no hydrogen 2.983 N/A ARG 100.A N PHE 97.A O no hydrogen 3.082 N/A ARG 100.A NE SER 199.A OXT.A no hydrogen 2.904 N/A ARG 100.A NE SER 199.A OXT.B no hydrogen 2.887 N/A ARG 100.A NH2 SER 199.A O no hydrogen 2.808 N/A ARG 100.A NH2 SER 199.A OXT.A no hydrogen 3.422 N/A ARG 100.A NH2 SER 199.A OXT.B no hydrogen 3.413 N/A GLN 101.A N ASN 96.A O no hydrogen 3.084 N/A PHE 102.A N ALA 143.A O no hydrogen 2.879 N/A THR 103.A N LYS 94.A O no hydrogen 2.819 N/A TYR 104.A N HIS 141.A O no hydrogen 2.884 N/A TYR 104.A OH SER 91.A OG no hydrogen 2.860 N/A CYS 105.A N ILE 92.A O no hydrogen 3.064 N/A CYS 105.A SG LYS 139.A O no hydrogen 3.451 N/A CYS 105.A SG THR 140.A OG1 no hydrogen 3.642 N/A SER 106.A OG ALA 90.A O no hydrogen 3.072 N/A SER 106.A OG SER 91.A OG no hydrogen 2.858 N/A VAL 107.A N ALA 90.A O no hydrogen 2.971 N/A GLY 108.A N ILE 127.A O no hydrogen 2.875 N/A ARG 111.A N HIS 154.A O no hydrogen 2.861 N/A ARG 111.A NH2 PRO 124.A O no hydrogen 3.070 N/A ILE 113.A N ILE 152.A O no hydrogen 2.923 N/A LEU 114.A N PHE 122.A O no hydrogen 2.905 N/A HIS 115.A N LYS 150.A O no hydrogen 2.769 N/A SER 116.A N GLU 120.A O no hydrogen 2.815 N/A SER 116.A OG.A SER 118.A OG.A no hydrogen 2.767 N/A SER 116.A OG.B SER 118.A OG.A no hydrogen 2.105 N/A SER 118.A OG.A SER 116.A OG.A no hydrogen 2.767 N/A SER 118.A OG.A SER 116.A OG.B no hydrogen 2.105 N/A SER 118.A OG.A GLU 146.A OE1 no hydrogen 3.502 N/A SER 118.A OG.B GLU 146.A OE1 no hydrogen 3.264 N/A GLY 119.A N SER 116.A O no hydrogen 2.858 N/A GLU 120.A N SER 116.A OG.B no hydrogen 3.378 N/A PHE 122.A N LEU 114.A O no hydrogen 2.846 N/A LEU 131.A N ALA 88.A O no hydrogen 2.869 N/A GLY 133.A N ASN 79.A OD1 no hydrogen 2.941 N/A LYS 134.A N SER 132.A OG no hydrogen 3.142 N/A TYR 138.A OH GLU 76.A OE1 no hydrogen 2.725 N/A THR 140.A OG1 GLU 72.A OE1 no hydrogen 2.725 N/A HIS 141.A N TYR 104.A O no hydrogen 2.901 N/A ALA 143.A N PHE 102.A O no hydrogen 3.070 N/A TYR 145.A N ARG 100.A O no hydrogen 2.894 N/A GLY 148.A N LEU 198.A O no hydrogen 2.777 N/A SER 149.A N GLU 146.A O no hydrogen 3.132 N/A SER 149.A OG GLU 146.A O no hydrogen 2.737 N/A LYS 150.A N HIS 115.A O no hydrogen 2.981 N/A LYS 150.A NZ LEU 167.A O no hydrogen 2.772 N/A LYS 150.A NZ LYS 168.A O no hydrogen 3.029 N/A LYS 150.A NZ GLY 170.A O no hydrogen 2.793 N/A PHE 151.A N GLY 196.A O no hydrogen 2.846 N/A ILE 152.A N ILE 113.A O no hydrogen 2.975 N/A ILE 153.A N ILE 194.A O no hydrogen 2.953 N/A HIS 154.A N ARG 111.A O no hydrogen 2.903 N/A HIS 154.A ND1 THR 155.A O no hydrogen 2.884 N/A THR 155.A N THR 192.A O no hydrogen 3.006 N/A THR 155.A OG1 ASP 27.A OD2 no hydrogen 2.865 N/A THR 155.A OG1 THR 192.A O no hydrogen 3.564 N/A LEU 158.A N THR 155.A O no hydrogen 3.057 N/A SER 165.A N ASP 162.A O no hydrogen 3.154 N/A SER 165.A N ASP 162.A OD1 no hydrogen 3.315 N/A SER 165.A OG ASP 162.A O no hydrogen 2.799 N/A HIS 166.A ND1 SER 179.A OG no hydrogen 2.696 N/A LEU 167.A N ILE 163.A O no hydrogen 3.201 N/A LYS 168.A N ARG 164.A O no hydrogen 2.907 N/A LYS 169.A N SER 165.A O no hydrogen 3.031 N/A GLY 170.A N HIS 166.A O no hydrogen 3.128 N/A SER 172.A OG GLU 175.A OE1 no hydrogen 2.730 N/A VAL 173.A N GLN 11.A OE1.A no hydrogen 2.874 N/A GLU 175.A N SER 172.A OG no hydrogen 3.138 N/A ILE 176.A N SER 172.A O no hydrogen 3.005 N/A SER 177.A N VAL 173.A O no hydrogen 2.869 N/A SER 177.A OG TYR 193.A OH no hydrogen 2.698 N/A ASN 178.A N GLU 174.A O no hydrogen 2.967 N/A SER 179.A N GLU 175.A O no hydrogen 2.871 N/A SER 179.A OG HIS 166.A ND1 no hydrogen 2.696 N/A LEU 180.A N ILE 176.A O no hydrogen 3.139 N/A LEU 180.A N SER 177.A O no hydrogen 3.076 N/A LYS 181.A N ASN 178.A O no hydrogen 3.097 N/A TYR 183.A N LEU 180.A O no hydrogen 3.012 N/A TYR 183.A OH HIS 166.A NE2 no hydrogen 3.409 N/A THR 184.A N LYS 181.A O no hydrogen 2.945 N/A THR 184.A OG1 LYS 181.A O no hydrogen 2.717 N/A THR 185.A OG1 MET 182.A O no hydrogen 3.275 N/A ARG 187.A NE ASN 18.A O no hydrogen 2.949 N/A ARG 187.A NH2 ASN 18.A O no hydrogen 2.943 N/A LEU 191.A N LEU 17.A O no hydrogen 2.891 N/A THR 192.A N THR 155.A OG1 no hydrogen 3.149 N/A THR 192.A OG1 ASP 27.A OD2 no hydrogen 2.737 N/A TYR 193.A N TYR 15.A O no hydrogen 2.981 N/A TYR 193.A OH SER 177.A OG no hydrogen 2.698 N/A ILE 194.A N ILE 153.A O no hydrogen 2.857 N/A LEU 195.A N LEU 13.A O no hydrogen 2.807 N/A GLY 196.A N PHE 151.A O no hydrogen 2.942 N/A GLN 197.A N GLN 11.A O no hydrogen 2.914 N/A GLN 197.A NE2 GLN 171.A O no hydrogen 3.000 N/A LEU 198.A N SER 149.A O no hydrogen 2.851 N/A SER 199.A N HIS 9.A O no hydrogen 3.014 N/A SER 199.A OG.A GLU 8.A O no hydrogen 3.037 N/A SER 199.A OG.B GLU 8.A O no hydrogen 2.788 N/A