Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iu3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 26.A OG no hydrogen 3.216 N/A THR 5.A N SER 24.A O no hydrogen 3.251 N/A GLN 6.A NE2 TYR 85.A O no hydrogen 2.583 N/A SER 7.A N THR 22.A O no hydrogen 2.777 N/A MET 11.A N LYS 100.A O no hydrogen 2.904 N/A SER 12.A OG TYR 137.A OH no hydrogen 3.150 N/A ALA 13.A N GLU 102.A O no hydrogen 2.835 N/A SER 14.A OG GLU 17.A OE2 no hydrogen 2.814 N/A GLY 16.A N MET 77.A O no hydrogen 2.797 N/A GLU 17.A N SER 14.A O no hydrogen 3.053 N/A VAL 19.A N ILE 74.A O no hydrogen 2.899 N/A THR 20.A OG1 THR 73.A OG1 no hydrogen 3.320 N/A MET 21.A N LEU 72.A O no hydrogen 2.995 N/A THR 22.A N SER 7.A O no hydrogen 2.739 N/A CYS 23.A N TYR 70.A O no hydrogen 2.847 N/A SER 24.A N THR 5.A O no hydrogen 2.936 N/A ALA 25.A N THR 68.A O no hydrogen 2.697 N/A ARG 29.A N GLY 67.A O no hydrogen 2.936 N/A ARG 29.A NH1 SER 4.A OG no hydrogen 2.582 N/A ARG 29.A NH2 SER 4.A OG no hydrogen 2.614 N/A MET 32.A N THR 50.A OG1 no hydrogen 3.277 N/A GLN 33.A N HIS 88.A O no hydrogen 2.750 N/A TRP 34.A N ILE 47.A O no hydrogen 2.714 N/A TYR 35.A N TYR 86.A O no hydrogen 2.796 N/A GLN 36.A N LYS 44.A O no hydrogen 2.864 N/A GLN 37.A N THR 84.A O no hydrogen 2.973 N/A GLN 37.A NE2 THR 41.A O no hydrogen 3.211 N/A LYS 38.A NZ GLU 80.A O no hydrogen 2.765 N/A LYS 38.A NZ ALA 82.A O no hydrogen 3.146 N/A THR 41.A N LYS 38.A O no hydrogen 3.072 N/A THR 41.A OG1 LYS 38.A O no hydrogen 2.781 N/A LYS 44.A N GLN 36.A O no hydrogen 2.703 N/A ARG 45.A NH2 SER 55.A O no hydrogen 2.886 N/A TRP 46.A N TRP 34.A O no hydrogen 3.032 N/A ILE 47.A N TRP 34.A O no hydrogen 3.174 N/A TYR 48.A N LYS 52.A O no hydrogen 2.881 N/A THR 50.A N MET 32.A O no hydrogen 2.867 N/A SER 51.A N ASP 49.A O no hydrogen 2.816 N/A LYS 52.A N TYR 48.A O no hydrogen 3.024 N/A LYS 52.A NZ ASP 49.A OD2 no hydrogen 3.235 N/A ALA 54.A N TRP 46.A O no hydrogen 3.116 N/A VAL 57.A N ALA 54.A O no hydrogen 3.099 N/A ARG 60.A NE ASP 81.A OD2 no hydrogen 3.311 N/A ARG 60.A NH1 ASP 81.A OD2 no hydrogen 2.901 N/A PHE 61.A N PRO 58.A O no hydrogen 3.192 N/A SER 62.A N THR 73.A O no hydrogen 2.814 N/A SER 64.A N SER 71.A O no hydrogen 2.932 N/A SER 66.A N SER 69.A O no hydrogen 3.009 N/A SER 69.A N SER 66.A O no hydrogen 3.304 N/A TYR 70.A N CYS 23.A O no hydrogen 2.789 N/A TYR 70.A OH GLY 67.A O no hydrogen 3.300 N/A SER 71.A N SER 64.A O no hydrogen 2.898 N/A LEU 72.A N MET 21.A O no hydrogen 3.010 N/A THR 73.A N SER 62.A O no hydrogen 2.940 N/A THR 73.A OG1 THR 20.A OG1 no hydrogen 3.320 N/A ILE 74.A N VAL 19.A O no hydrogen 2.850 N/A SER 75.A N ARG 60.A O no hydrogen 2.876 N/A SER 75.A OG ARG 60.A O no hydrogen 3.192 N/A SER 76.A OG GLY 16.A O no hydrogen 3.380 N/A MET 77.A N GLU 17.A O no hydrogen 3.070 N/A GLU 78.A N ASP 81.A OD2 no hydrogen 3.215 N/A ASP 81.A N GLU 78.A O no hydrogen 2.881 N/A ALA 82.A N ALA 79.A O no hydrogen 3.328 N/A ALA 83.A N LEU 101.A O no hydrogen 3.139 N/A THR 84.A N GLN 37.A O no hydrogen 3.092 N/A TYR 85.A N THR 99.A O no hydrogen 2.835 N/A TYR 85.A OH GLN 36.A OE1 no hydrogen 3.244 N/A TYR 85.A OH ASP 81.A O no hydrogen 2.743 N/A TYR 86.A N TYR 35.A O no hydrogen 2.949 N/A CYS 87.A N GLN 6.A OE1 no hydrogen 3.255 N/A HIS 88.A N GLN 33.A O no hydrogen 2.694 N/A GLN 89.A NE2 SER 92.A OG no hydrogen 2.690 N/A ARG 90.A NH1 ASP 49.A OD1 no hydrogen 2.801 N/A ARG 90.A NH2 ASP 49.A OD1 no hydrogen 2.779 N/A TYR 93.A N GLN 89.A O no hydrogen 3.056 N/A THR 94.A OG1 ILE 2.A O no hydrogen 2.858 N/A THR 94.A OG1 GLN 89.A OE1 no hydrogen 3.127 N/A GLY 96.A N CYS 87.A O no hydrogen 2.757 N/A GLY 98.A N GLN 6.A OE1 no hydrogen 2.685 N/A THR 99.A N TYR 85.A O no hydrogen 2.885 N/A THR 99.A OG1 PRO 8.A O no hydrogen 2.649 N/A LYS 100.A N ALA 9.A O no hydrogen 2.748 N/A LYS 100.A NZ GLU 162.A OE1 no hydrogen 3.331 N/A LYS 100.A NZ GLU 162.A OE2 no hydrogen 3.171 N/A LEU 101.A N ALA 83.A O no hydrogen 2.687 N/A GLU 102.A N MET 11.A O no hydrogen 2.834 N/A ILE 103.A N GLN 163.A OE1 no hydrogen 2.921 N/A LYS 104.A N ALA 13.A O no hydrogen 2.814 N/A ARG 105.A NE ASP 167.A O no hydrogen 3.050 N/A ARG 105.A NH1 ASP 167.A O no hydrogen 3.234 N/A ARG 105.A NH2 THR 106.A O no hydrogen 2.797 N/A ALA 108.A N TYR 137.A O no hydrogen 3.169 N/A SER 111.A N ASN 134.A O no hydrogen 2.948 N/A PHE 113.A N LEU 132.A O no hydrogen 2.835 N/A PHE 115.A N VAL 130.A O no hydrogen 2.784 N/A GLN 121.A N SER 118.A OG no hydrogen 3.279 N/A GLN 121.A NE2 SER 128.A OG no hydrogen 3.309 N/A LEU 122.A N ASP 119.A O no hydrogen 3.227 N/A SER 124.A OG GLN 121.A O no hydrogen 2.661 N/A ALA 127.A N LEU 178.A O no hydrogen 2.723 N/A SER 128.A N GLN 121.A OE1 no hydrogen 2.860 N/A VAL 129.A N LEU 176.A O no hydrogen 2.768 N/A VAL 130.A N PHE 115.A O no hydrogen 3.145 N/A CYS 131.A N SER 174.A O no hydrogen 2.712 N/A CYS 131.A SG PHE 113.A O no hydrogen 3.743 N/A LEU 132.A N PHE 113.A O no hydrogen 2.833 N/A LEU 133.A N LEU 172.A O no hydrogen 2.639 N/A ASN 134.A N SER 111.A O no hydrogen 2.690 N/A PHE 136.A N TYR 170.A O no hydrogen 2.934 N/A TYR 137.A N ALA 108.A O no hydrogen 3.063 N/A TYR 137.A OH SER 12.A OG no hydrogen 3.150 N/A TYR 137.A OH ILE 103.A O no hydrogen 3.193 N/A ARG 139.A NE ARG 139.A O no hydrogen 2.642 N/A ARG 139.A NH1 ARG 139.A O no hydrogen 3.351 N/A LYS 142.A N THR 194.A O no hydrogen 2.898 N/A GLN 144.A N GLU 192.A O no hydrogen 2.898 N/A GLN 144.A NE2 GLU 192.A OE2 no hydrogen 3.038 N/A TRP 145.A NE1 SER 174.A OG no hydrogen 2.784 N/A LYS 146.A N ALA 190.A O no hydrogen 3.079 N/A LYS 146.A NZ GLU 192.A OE1 no hydrogen 3.006 N/A VAL 147.A N ALA 150.A O no hydrogen 3.005 N/A ASP 148.A N VAL 188.A O no hydrogen 3.025 N/A ALA 150.A N VAL 147.A O no hydrogen 2.865 N/A GLN 152.A N TRP 145.A O no hydrogen 2.836 N/A GLN 152.A NE2 ALA 150.A O no hydrogen 3.649 N/A ASN 155.A ND2 GLN 152.A OE1 no hydrogen 3.121 N/A GLN 157.A N THR 175.A O no hydrogen 3.279 N/A SER 159.A N SER 173.A O no hydrogen 2.955 N/A THR 161.A N SER 171.A O no hydrogen 3.135 N/A THR 161.A OG1 GLU 162.A O no hydrogen 3.454 N/A THR 161.A OG1 SER 171.A O no hydrogen 3.443 N/A GLN 163.A NE2 ILE 103.A O no hydrogen 2.855 N/A GLN 163.A NE2 SER 168.A O no hydrogen 2.958 N/A ASP 164.A N THR 169.A O no hydrogen 3.054 N/A LYS 166.A N ASP 164.A OD2 no hydrogen 2.817 N/A ASP 167.A N ASP 164.A OD2 no hydrogen 2.767 N/A SER 168.A N ASP 164.A O no hydrogen 3.273 N/A THR 169.A OG1 ASN 135.A OD1 no hydrogen 3.237 N/A THR 169.A OG1 ASP 167.A OD2 no hydrogen 3.379 N/A TYR 170.A N PHE 136.A O no hydrogen 2.790 N/A TYR 170.A OH GLU 102.A OE2 no hydrogen 2.619 N/A SER 171.A N THR 161.A OG1 no hydrogen 3.156 N/A SER 171.A OG ASN 134.A OD1 no hydrogen 3.150 N/A LEU 172.A N LEU 133.A O no hydrogen 2.841 N/A SER 173.A N SER 159.A O no hydrogen 2.930 N/A SER 174.A N CYS 131.A O no hydrogen 2.647 N/A THR 175.A N GLN 157.A O no hydrogen 3.047 N/A LEU 176.A N VAL 129.A O no hydrogen 2.701 N/A THR 177.A N ASN 155.A O no hydrogen 3.315 N/A LEU 178.A N ALA 127.A O no hydrogen 2.947 N/A LYS 180.A N GLY 125.A O no hydrogen 2.942 N/A ASP 182.A N SER 179.A OG no hydrogen 3.340 N/A TYR 183.A N SER 179.A O no hydrogen 2.927 N/A GLU 184.A N LYS 180.A O no hydrogen 3.113 N/A LYS 185.A N ALA 181.A O no hydrogen 3.054 N/A LYS 185.A N ASP 182.A O no hydrogen 3.115 N/A HIS 186.A N TYR 183.A O no hydrogen 3.317 N/A HIS 186.A ND1 ASP 148.A OD2 no hydrogen 3.079 N/A LYS 187.A N ASP 148.A OD2 no hydrogen 3.377 N/A VAL 188.A N ASP 148.A OD1 no hydrogen 3.115 N/A TYR 189.A N PHE 206.A O no hydrogen 3.009 N/A TYR 189.A OH TYR 183.A O no hydrogen 2.700 N/A ALA 190.A N LYS 146.A O no hydrogen 2.924 N/A CYS 191.A N LYS 204.A O no hydrogen 2.753 N/A GLU 192.A N GLN 144.A O no hydrogen 2.782 N/A VAL 193.A N VAL 202.A O no hydrogen 2.654 N/A THR 194.A N LYS 142.A O no hydrogen 2.804 N/A HIS 195.A N SER 200.A OG no hydrogen 2.927 N/A HIS 195.A NE2 PRO 138.A O no hydrogen 3.015 N/A GLY 197.A N HIS 195.A ND1 no hydrogen 2.993 N/A LEU 198.A N HIS 195.A O no hydrogen 3.054 N/A SER 200.A OG HIS 195.A O no hydrogen 2.922 N/A VAL 202.A N VAL 193.A O no hydrogen 2.881 N/A LYS 204.A N CYS 191.A O no hydrogen 2.841 N/A LYS 204.A NZ VAL 112.A O no hydrogen 3.259 N/A PHE 206.A N TYR 189.A O no hydrogen 3.114 N/A ARG 208.A N LYS 187.A O no hydrogen 2.740 N/A ARG 208.A NE HIS 186.A O no hydrogen 2.711 N/A ARG 208.A NH2 HIS 186.A O no hydrogen 3.384 N/A