Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3io3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 8.A N LEU 213.A O no hydrogen 2.900 N/A GLU 9.A N THR 7.A OG1 no hydrogen 3.212 N/A SER 10.A OG HIS 189.A NE2 no hydrogen 3.371 N/A ILE 11.A N LEU 8.A O no hydrogen 2.902 N/A VAL 12.A N LEU 8.A O no hydrogen 2.920 N/A GLN 13.A N GLU 9.A O no hydrogen 3.025 N/A HIS 14.A N ILE 11.A O no hydrogen 3.121 N/A SER 16.A OG GLU 119.A O no hydrogen 2.615 N/A SER 16.A OG GLU 119.A OE1 no hydrogen 3.403 N/A LEU 17.A N HIS 14.A O no hydrogen 3.274 N/A LYS 18.A N LEU 120.A O no hydrogen 2.601 N/A LYS 18.A NZ TYR 90.A O no hydrogen 3.055 N/A LYS 18.A NZ LYS 91.A O no hydrogen 2.917 N/A TRP 19.A N LEU 120.A O no hydrogen 2.885 N/A ILE 20.A N ILE 93.A O no hydrogen 2.810 N/A PHE 21.A N THR 122.A O no hydrogen 2.981 N/A VAL 22.A N PHE 95.A O no hydrogen 2.812 N/A GLY 23.A N ILE 124.A O no hydrogen 2.966 N/A GLY 24.A N THR 100.A OG1 no hydrogen 3.038 N/A LYS 30.A NZ GLY 24.A O no hydrogen 3.366 N/A LYS 30.A NZ LYS 25.A O no hydrogen 2.735 N/A THR 33.A N GLY 29.A O no hydrogen 2.851 N/A THR 33.A OG1 GLY 29.A O no hydrogen 2.898 N/A SER 34.A N LYS 30.A O no hydrogen 2.819 N/A SER 34.A OG LYS 30.A O no hydrogen 2.748 N/A SER 34.A OG THR 31.A O no hydrogen 3.279 N/A SER 35.A N THR 31.A O no hydrogen 2.953 N/A SER 35.A OG THR 31.A O no hydrogen 2.757 N/A SER 36.A N THR 32.A O no hydrogen 2.972 N/A SER 36.A OG THR 32.A O no hydrogen 2.811 N/A SER 36.A OG LEU 206.A O no hydrogen 3.156 N/A VAL 37.A N THR 33.A O no hydrogen 2.944 N/A ALA 38.A N SER 34.A O no hydrogen 2.984 N/A VAL 39.A N SER 35.A O no hydrogen 2.957 N/A GLN 40.A N SER 36.A O no hydrogen 2.957 N/A LEU 41.A N VAL 37.A O no hydrogen 2.832 N/A ALA 42.A N ALA 38.A O no hydrogen 2.956 N/A LEU 43.A N VAL 39.A O no hydrogen 3.001 N/A ALA 44.A N GLN 40.A O no hydrogen 2.985 N/A GLN 45.A N LEU 41.A O no hydrogen 3.126 N/A GLN 45.A NE2 ASP 15.A OD1 no hydrogen 3.392 N/A GLU 48.A N GLN 45.A O no hydrogen 2.997 N/A PHE 50.A N ASN 81.A O no hydrogen 2.818 N/A LEU 51.A N THR 92.A O no hydrogen 3.295 N/A LEU 52.A N SER 83.A O no hydrogen 2.777 N/A ILE 53.A N ILE 94.A O no hydrogen 2.909 N/A SER 54.A N MET 85.A O no hydrogen 2.884 N/A SER 54.A OG ASN 60.A OD1 no hydrogen 2.985 N/A SER 54.A OG ASP 96.A OD2 no hydrogen 3.547 N/A THR 55.A N ASP 96.A O no hydrogen 3.077 N/A THR 55.A OG1 ASP 96.A O no hydrogen 3.296 N/A THR 55.A OG1 ALA 98.A O no hydrogen 2.690 N/A THR 55.A OG1 THR 103.A OG1 no hydrogen 3.327 N/A ASP 56.A N SER 54.A OG no hydrogen 3.081 N/A ALA 58.A N ASP 56.A O no hydrogen 2.786 N/A HIS 59.A ND1 GLU 86.A OE1 no hydrogen 3.185 N/A ASN 60.A ND2 THR 31.A OG1 no hydrogen 3.247 N/A ASN 60.A ND2 SER 54.A OG no hydrogen 2.834 N/A SER 62.A N GLU 86.A OE2 no hydrogen 2.737 N/A SER 62.A OG GLN 67.A O no hydrogen 3.363 N/A SER 62.A OG GLU 86.A OE1 no hydrogen 3.388 N/A SER 62.A OG GLU 86.A OE2 no hydrogen 3.206 N/A ASP 63.A N HIS 59.A O no hydrogen 2.993 N/A ALA 64.A N ASN 60.A O no hydrogen 2.995 N/A PHE 65.A N LEU 61.A O no hydrogen 2.953 N/A CYS 66.A SG ASP 63.A O no hydrogen 3.881 N/A GLN 67.A N SER 62.A O no hydrogen 3.023 N/A GLN 67.A NE2 LYS 75.A O no hydrogen 2.797 N/A PHE 69.A N SER 62.A OG no hydrogen 2.975 N/A ARG 74.A N CYS 84.A O no hydrogen 3.233 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 3.398 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.294 N/A ARG 74.A NH1 LYS 68.A O no hydrogen 2.955 N/A ARG 74.A NH2 ASP 72.A OD1 no hydrogen 2.847 N/A LYS 75.A NZ GLN 49.A OE1 no hydrogen 3.226 N/A LYS 75.A NZ PRO 80.A O no hydrogen 2.552 N/A VAL 76.A N LEU 82.A O no hydrogen 2.777 N/A GLU 77.A N GLN 67.A OE1 no hydrogen 2.984 N/A LEU 79.A N VAL 76.A O no hydrogen 3.102 N/A ASN 81.A ND2 ALA 42.A O no hydrogen 2.754 N/A ASN 81.A ND2 GLU 48.A O no hydrogen 2.868 N/A LEU 82.A N LEU 79.A O no hydrogen 2.919 N/A SER 83.A N PHE 50.A O no hydrogen 2.855 N/A CYS 84.A N ARG 74.A O no hydrogen 2.972 N/A MET 85.A N LEU 52.A O no hydrogen 2.846 N/A GLU 86.A N GLY 70.A O no hydrogen 2.857 N/A ILE 87.A N SER 54.A O no hydrogen 3.055 N/A LYS 91.A N GLN 49.A O no hydrogen 2.654 N/A LYS 91.A NZ ASP 15.A O no hydrogen 3.078 N/A LYS 91.A NZ ASP 15.A OD1 no hydrogen 2.788 N/A THR 92.A OG1 LEU 17.A O no hydrogen 2.714 N/A ILE 93.A N LYS 18.A O no hydrogen 2.876 N/A ILE 94.A N LEU 51.A O no hydrogen 2.808 N/A PHE 95.A N ILE 20.A O no hydrogen 2.801 N/A ASP 96.A N ILE 53.A O no hydrogen 2.869 N/A THR 97.A N VAL 22.A O no hydrogen 2.981 N/A THR 97.A OG1 VAL 22.A O no hydrogen 2.705 N/A THR 97.A OG1 THR 100.A OG1 no hydrogen 2.784 N/A ALA 98.A N ASP 96.A OD1 no hydrogen 3.138 N/A THR 100.A OG1 GLY 24.A O no hydrogen 3.296 N/A THR 100.A OG1 THR 97.A OG1 no hydrogen 2.784 N/A HIS 102.A N PRO 99.A O no hydrogen 2.969 N/A THR 103.A N PRO 99.A O no hydrogen 2.945 N/A THR 103.A OG1 THR 55.A OG1 no hydrogen 3.327 N/A THR 103.A OG1 THR 97.A O no hydrogen 2.489 N/A THR 103.A OG1 PRO 99.A O no hydrogen 3.266 N/A LEU 104.A N THR 100.A O no hydrogen 2.909 N/A ARG 105.A N HIS 102.A O no hydrogen 2.890 N/A ARG 105.A NE HIS 102.A O no hydrogen 3.268 N/A PHE 106.A N THR 103.A O no hydrogen 2.771 N/A LEU 107.A N THR 103.A O no hydrogen 3.059 N/A GLN 108.A N ARG 105.A O no hydrogen 3.310 N/A GLN 108.A NE2 LEU 104.A O no hydrogen 2.805 N/A ASN 112.A N SER 109.A O no hydrogen 3.092 N/A GLN 114.A N GLU 110.A O no hydrogen 3.450 N/A PHE 115.A N VAL 111.A O no hydrogen 2.888 N/A THR 116.A N ASN 112.A O no hydrogen 2.975 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.819 N/A ASN 117.A N GLN 114.A O no hydrogen 3.226 N/A GLU 119.A N ASN 117.A OD1 no hydrogen 3.031 N/A LEU 120.A N ASN 117.A O no hydrogen 2.958 N/A THR 121.A N ASN 117.A O no hydrogen 2.962 N/A THR 121.A OG1 GLN 114.A O no hydrogen 2.741 N/A THR 122.A N TRP 19.A O no hydrogen 3.103 N/A THR 122.A OG1 ASP 150.A OD2 no hydrogen 2.774 N/A PHE 123.A N ASP 150.A O no hydrogen 2.948 N/A ILE 124.A N PHE 21.A O no hydrogen 2.811 N/A CYS 125.A N SER 153.A O no hydrogen 3.324 N/A VAL 126.A N GLY 23.A O no hydrogen 2.772 N/A CYS 127.A N VAL 155.A O no hydrogen 2.956 N/A CYS 127.A SG ILE 128.A O no hydrogen 4.000 N/A CYS 127.A SG VAL 155.A O no hydrogen 3.693 N/A ILE 128.A N SER 133.A OG no hydrogen 3.038 N/A SER 129.A OG GLN 174.A O no hydrogen 2.592 N/A GLU 130.A N ILE 128.A O no hydrogen 3.002 N/A LEU 134.A N GLU 130.A O no hydrogen 3.113 N/A TYR 135.A N PHE 131.A O no hydrogen 2.965 N/A GLU 136.A N LEU 132.A O no hydrogen 2.925 N/A THR 137.A N SER 133.A O no hydrogen 2.778 N/A THR 137.A OG1 SER 133.A O no hydrogen 2.684 N/A GLU 138.A N LEU 134.A O no hydrogen 2.920 N/A ARG 139.A N TYR 135.A O no hydrogen 3.054 N/A ARG 139.A NH1 GLU 136.A OE2 no hydrogen 3.073 N/A MET 140.A N GLU 136.A O no hydrogen 2.873 N/A ILE 141.A N THR 137.A O no hydrogen 2.949 N/A GLN 142.A N GLU 138.A O no hydrogen 3.077 N/A GLU 143.A N ARG 139.A O no hydrogen 3.097 N/A LEU 144.A N MET 140.A O no hydrogen 2.813 N/A MET 145.A N ILE 141.A O no hydrogen 2.822 N/A SER 146.A N GLN 142.A O no hydrogen 3.152 N/A SER 146.A OG GLU 143.A O no hydrogen 2.799 N/A TYR 147.A N GLU 143.A O no hydrogen 3.250 N/A TYR 147.A N LEU 144.A O no hydrogen 3.086 N/A ASN 148.A N MET 145.A O no hydrogen 3.098 N/A MET 149.A N LEU 144.A O no hydrogen 3.014 N/A ASN 152.A ND2 ASP 150.A OD2 no hydrogen 3.147 N/A SER 153.A OG ASN 152.A OD1 no hydrogen 2.621 N/A ILE 154.A N HIS 189.A O no hydrogen 2.828 N/A VAL 155.A N CYS 125.A O no hydrogen 2.828 N/A VAL 156.A N VAL 191.A O no hydrogen 2.815 N/A ASN 157.A N CYS 127.A O no hydrogen 2.949 N/A ASN 157.A ND2 VAL 28.A O no hydrogen 2.856 N/A GLN 158.A NE2 GLY 27.A O no hydrogen 3.001 N/A GLN 158.A NE2 VAL 28.A O no hydrogen 3.142 N/A LEU 159.A N MET 193.A O no hydrogen 3.081 N/A LEU 160.A N GLN 174.A OE1 no hydrogen 2.886 N/A GLU 168.A N CYS 164.A O no hydrogen 3.000 N/A SER 169.A N LYS 165.A O no hydrogen 2.946 N/A ARG 170.A N ARG 166.A O no hydrogen 2.800 N/A ARG 170.A NH2 GLU 130.A OE2 no hydrogen 3.267 N/A TRP 171.A N CYS 167.A O no hydrogen 2.843 N/A LYS 172.A N GLU 168.A O no hydrogen 3.184 N/A MET 173.A N SER 169.A O no hydrogen 3.377 N/A GLN 174.A N ARG 170.A O no hydrogen 2.968 N/A GLN 174.A NE2 GLN 158.A O no hydrogen 3.179 N/A LYS 175.A N TRP 171.A O no hydrogen 2.930 N/A LYS 175.A NZ ASP 179.A OD1 no hydrogen 2.768 N/A LYS 175.A NZ ASP 179.A OD2 no hydrogen 2.907 N/A LYS 176.A N MET 173.A O no hydrogen 3.004 N/A TYR 177.A N MET 173.A O no hydrogen 3.284 N/A LEU 178.A N GLN 174.A O no hydrogen 2.777 N/A ASP 179.A N LYS 175.A O no hydrogen 2.888 N/A GLN 180.A N LYS 176.A O no hydrogen 3.265 N/A MET 181.A N TYR 177.A O no hydrogen 2.837 N/A GLY 182.A N LEU 178.A O no hydrogen 2.819 N/A LEU 184.A N GLN 180.A O no hydrogen 2.871 N/A TYR 185.A N MET 181.A O no hydrogen 2.731 N/A GLU 186.A N GLU 183.A O no hydrogen 3.388 N/A TYR 188.A N TYR 185.A O no hydrogen 2.857 N/A HIS 189.A N ASN 152.A O no hydrogen 2.761 N/A HIS 189.A ND1 GLU 5.A O no hydrogen 2.448 N/A VAL 191.A N ILE 154.A O no hydrogen 2.872 N/A LYS 192.A NZ LEU 190.A O no hydrogen 2.774 N/A MET 193.A N VAL 156.A O no hydrogen 2.839 N/A LEU 195.A N LEU 159.A O no hydrogen 2.882 N/A GLY 197.A N VAL 226.A O no hydrogen 2.713 N/A CYS 198.A SG.A GLU 199.A O no hydrogen 3.526 N/A CYS 198.A SG.B GLU 199.A O no hydrogen 3.980 N/A ARG 201.A NE ASP 63.A O no hydrogen 2.874 N/A ARG 201.A NH2 ASP 63.A O no hydrogen 3.092 N/A GLY 202.A N ALA 64.A O no hydrogen 2.570 N/A ASN 205.A ND2 ARG 201.A O no hydrogen 2.950 N/A ASN 205.A ND2 GLU 230.A O no hydrogen 3.214 N/A LEU 206.A N GLY 202.A O no hydrogen 3.037 N/A LYS 207.A N VAL 203.A O no hydrogen 2.926 N/A LYS 208.A N GLU 204.A O no hydrogen 3.069 N/A LYS 208.A NZ ASP 228.A O no hydrogen 2.725 N/A LYS 208.A NZ ASP 228.A OD1 no hydrogen 3.565 N/A LYS 208.A NZ ASP 228.A OD2 no hydrogen 3.221 N/A PHE 209.A N ASN 205.A O no hydrogen 2.938 N/A SER 210.A N LEU 206.A O no hydrogen 3.012 N/A SER 210.A OG GLN 40.A OE1 no hydrogen 3.087 N/A SER 210.A OG LYS 207.A O no hydrogen 2.506 N/A LYS 211.A N LYS 208.A O no hydrogen 3.401 N/A PHE 212.A N PHE 209.A O no hydrogen 3.218 N/A LEU 213.A N SER 210.A O no hydrogen 3.086 N/A LEU 214.A N LYS 211.A O no hydrogen 3.243 N/A LYS 215.A N LYS 211.A O no hydrogen 3.098 N/A ASP 218.A N ASP 222.A OD2 no hydrogen 2.817 N/A LYS 220.A N ASP 218.A OD1 no hydrogen 3.046 N/A ALA 221.A N ASP 218.A O no hydrogen 3.102 N/A ASP 222.A N ASP 218.A O no hydrogen 2.696 N/A ILE 225.A N ASP 222.A O no hydrogen 3.296 N/A VAL 226.A N SER 223.A O no hydrogen 3.130 N/A PHE 227.A N ASP 224.A O no hydrogen 2.970 N/A ASP 228.A N ILE 225.A O no hydrogen 3.230 N/A GLU 230.A N ASN 205.A OD1 no hydrogen 3.146 N/A