Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bqm_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 38.A O no hydrogen 3.103 N/A ASP 4.A N THR 104.A O no hydrogen 2.867 N/A LEU 5.A N GLN 40.A O no hydrogen 2.942 N/A VAL 6.A N VAL 106.A O no hydrogen 2.854 N/A PHE 7.A N ALA 42.A O no hydrogen 2.923 N/A LEU 8.A N ILE 108.A O no hydrogen 2.860 N/A PHE 9.A N VAL 44.A O no hydrogen 2.888 N/A ASP 10.A N ILE 110.A O no hydrogen 2.881 N/A GLY 11.A N PHE 46.A O no hydrogen 2.840 N/A SER 12.A N ASP 10.A OD1 no hydrogen 2.770 N/A SER 12.A OG ASP 10.A OD1 no hydrogen 2.776 N/A SER 12.A OG SER 14.A OG no hydrogen 3.217 N/A SER 12.A OG ASP 112.A OD1 no hydrogen 3.201 N/A MET 13.A N LEU 77.A O no hydrogen 2.837 N/A SER 14.A OG SER 12.A OG no hydrogen 3.217 N/A SER 14.A OG ASP 112.A OD2 no hydrogen 2.428 N/A LEU 15.A N SER 12.A O no hydrogen 3.238 N/A GLN 16.A N GLU 19.A OE1 no hydrogen 2.933 N/A GLU 19.A N GLN 16.A O no hydrogen 2.916 N/A PHE 20.A N GLN 16.A O no hydrogen 3.054 N/A GLN 21.A N PRO 17.A O no hydrogen 3.016 N/A GLN 21.A NE2 ASP 25.A OD1 no hydrogen 3.321 N/A LYS 22.A N ASP 18.A O no hydrogen 3.010 N/A LYS 22.A NZ ASP 18.A OD2 no hydrogen 2.468 N/A LYS 22.A NZ GLU 166.A OE2 no hydrogen 2.521 N/A ILE 23.A N GLU 19.A O no hydrogen 3.174 N/A LEU 24.A N PHE 20.A O no hydrogen 3.094 N/A ASP 25.A N GLN 21.A O no hydrogen 2.816 N/A PHE 26.A N LYS 22.A O no hydrogen 2.894 N/A MET 27.A N ILE 23.A O no hydrogen 2.996 N/A LYS 28.A N LEU 24.A O no hydrogen 3.212 N/A LYS 28.A NZ ASP 25.A OD1 no hydrogen 3.348 N/A LYS 28.A NZ ASP 66.A OD1 no hydrogen 3.522 N/A ASP 29.A N ASP 25.A O no hydrogen 2.931 N/A VAL 30.A N PHE 26.A O no hydrogen 3.116 N/A MET 31.A N MET 27.A O no hydrogen 3.067 N/A LYS 32.A N LYS 28.A O no hydrogen 2.885 N/A LYS 32.A NZ ASP 66.A OD1 no hydrogen 3.061 N/A LYS 32.A NZ ASP 66.A OD2 no hydrogen 3.556 N/A LYS 33.A N ASP 29.A O no hydrogen 3.208 N/A LEU 34.A N VAL 30.A O no hydrogen 3.124 N/A SER 35.A N LYS 32.A O no hydrogen 3.337 N/A SER 35.A OG LYS 32.A O no hydrogen 3.277 N/A THR 37.A OG1 LEU 34.A O no hydrogen 2.810 N/A TYR 39.A N THR 37.A OG1 no hydrogen 3.254 N/A GLN 40.A N VAL 3.A O no hydrogen 3.025 N/A ALA 42.A N LEU 5.A O no hydrogen 3.128 N/A ALA 43.A N PHE 54.A O no hydrogen 3.027 N/A VAL 44.A N PHE 7.A O no hydrogen 2.797 N/A GLN 45.A N LYS 51.A O no hydrogen 2.830 N/A PHE 46.A N PHE 9.A O no hydrogen 2.858 N/A SER 47.A N SER 49.A O no hydrogen 2.890 N/A SER 47.A OG LEU 78.A O no hydrogen 2.807 N/A LYS 51.A N GLN 45.A O no hydrogen 2.916 N/A LYS 51.A NZ GLU 53.A OE2 no hydrogen 2.876 N/A THR 52.A OG1 TYR 87.A OH no hydrogen 3.087 N/A GLU 53.A N ALA 43.A O no hydrogen 2.767 N/A PHE 54.A N ALA 43.A O no hydrogen 3.445 N/A ASP 55.A N ASP 58.A OD1 no hydrogen 2.912 N/A SER 57.A N LEU 97.A O no hydrogen 3.160 N/A ASP 58.A N ASP 55.A OD1 no hydrogen 2.820 N/A TYR 59.A N ASP 55.A O no hydrogen 2.953 N/A VAL 60.A N PHE 56.A O no hydrogen 2.813 N/A LYS 61.A N SER 57.A O no hydrogen 2.898 N/A TRP 62.A N ASP 58.A O no hydrogen 3.061 N/A LYS 63.A N TYR 59.A O no hydrogen 2.777 N/A ALA 67.A N ASP 64.A OD1 no hydrogen 3.189 N/A LEU 68.A N ASP 64.A O no hydrogen 2.995 N/A LEU 69.A N PRO 65.A O no hydrogen 3.137 N/A LYS 70.A N ALA 67.A O no hydrogen 3.380 N/A VAL 72.A N LEU 69.A O no hydrogen 3.330 N/A HIS 74.A NE2 SER 12.A O no hydrogen 2.901 N/A LEU 76.A N GLY 11.A O no hydrogen 2.740 N/A LEU 77.A N SER 47.A OG no hydrogen 3.004 N/A LEU 78.A N THR 48.A OG1 no hydrogen 3.078 N/A THR 79.A N THR 116.A OG1 no hydrogen 2.873 N/A ASN 80.A N SER 47.A O no hydrogen 2.811 N/A ASN 80.A ND2 THR 48.A O no hydrogen 2.807 N/A THR 81.A N THR 79.A O no hydrogen 2.941 N/A THR 81.A OG1 THR 79.A O no hydrogen 3.454 N/A PHE 82.A N ASP 117.A OD1 no hydrogen 3.093 N/A GLY 83.A N ASP 117.A OD2 no hydrogen 2.879 N/A ALA 84.A N ASN 80.A O no hydrogen 2.992 N/A ILE 85.A N THR 81.A O no hydrogen 3.012 N/A ASN 86.A N PHE 82.A O no hydrogen 3.040 N/A ASN 86.A ND2 PHE 82.A O no hydrogen 2.880 N/A ASN 86.A ND2 ASN 120.A O no hydrogen 2.808 N/A TYR 87.A N GLY 83.A O no hydrogen 2.778 N/A TYR 87.A OH THR 52.A OG1 no hydrogen 3.087 N/A VAL 88.A N ALA 84.A O no hydrogen 3.007 N/A ALA 89.A N ILE 85.A O no hydrogen 3.113 N/A THR 90.A N ASN 86.A O no hydrogen 3.129 N/A THR 90.A OG1 ASN 86.A O no hydrogen 3.040 N/A GLU 91.A N TYR 87.A O no hydrogen 2.787 N/A VAL 92.A N VAL 88.A O no hydrogen 3.039 N/A PHE 93.A N VAL 88.A O no hydrogen 3.162 N/A ARG 94.A N VAL 92.A O no hydrogen 2.936 N/A ARG 94.A NH1 GLU 91.A O no hydrogen 2.671 N/A ARG 94.A NH2 GLU 96.A OE1 no hydrogen 3.186 N/A LEU 97.A N ARG 94.A O no hydrogen 3.048 N/A GLY 98.A N GLU 95.A O no hydrogen 2.818 N/A ALA 99.A N ARG 94.A O no hydrogen 3.154 N/A ARG 100.A N ASP 4.A OD2 no hydrogen 2.778 N/A ARG 100.A NE ASP 4.A OD1 no hydrogen 2.992 N/A ARG 100.A NH1 SER 38.A O no hydrogen 3.510 N/A ARG 100.A NH2 ASP 4.A OD1 no hydrogen 2.949 N/A ARG 100.A NH2 SER 38.A O no hydrogen 2.835 N/A ASP 102.A N ASP 102.A OD2 no hydrogen 2.243 N/A ALA 103.A N ARG 100.A O no hydrogen 3.083 N/A THR 104.A N ASN 2.A O no hydrogen 2.749 N/A LYS 105.A NZ ASP 126.A OD2 no hydrogen 2.791 N/A VAL 106.A N ASP 4.A O no hydrogen 2.880 N/A LEU 107.A N ILE 128.A O no hydrogen 2.885 N/A ILE 108.A N VAL 6.A O no hydrogen 2.829 N/A ILE 109.A N TYR 130.A O no hydrogen 2.798 N/A ILE 110.A N LEU 8.A O no hydrogen 2.892 N/A THR 111.A N ILE 132.A O no hydrogen 2.863 N/A THR 111.A OG1 ASP 10.A OD2 no hydrogen 2.789 N/A THR 111.A OG1 GLY 113.A O no hydrogen 3.083 N/A ASP 112.A N ASP 10.A OD2 no hydrogen 3.075 N/A THR 116.A N THR 79.A O no hydrogen 2.738 N/A THR 116.A OG1 ASN 80.A OD1 no hydrogen 2.959 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 2.964 N/A ALA 124.A N ILE 121.A O no hydrogen 2.932 N/A LYS 125.A N ASP 122.A O no hydrogen 3.328 N/A ILE 127.A N ALA 124.A O no hydrogen 3.145 N/A ILE 128.A N LYS 105.A O no hydrogen 3.022 N/A ARG 129.A N SER 152.A OG no hydrogen 2.908 N/A ARG 129.A NE ILE 127.A O no hydrogen 2.816 N/A ARG 129.A NH2 ILE 127.A O no hydrogen 3.273 N/A TYR 130.A N LEU 107.A O no hydrogen 2.848 N/A ILE 131.A N PHE 158.A O no hydrogen 2.947 N/A ILE 132.A N ILE 109.A O no hydrogen 2.696 N/A GLY 133.A N LYS 160.A O no hydrogen 2.889 N/A ILE 134.A N THR 111.A O no hydrogen 2.735 N/A GLY 135.A N LEU 162.A O no hydrogen 2.819 N/A PHE 138.A N GLY 135.A O no hydrogen 3.065 N/A THR 140.A OG1 SER 143.A OG no hydrogen 3.409 N/A SER 143.A N THR 140.A OG1 no hydrogen 3.100 N/A SER 143.A OG HIS 137.A O no hydrogen 3.444 N/A SER 143.A OG THR 140.A O no hydrogen 2.764 N/A SER 143.A OG THR 140.A OG1 no hydrogen 3.409 N/A GLN 144.A N THR 140.A O no hydrogen 3.180 N/A GLN 144.A NE2 PHE 138.A O no hydrogen 2.780 N/A GLU 145.A N LYS 141.A O no hydrogen 2.870 N/A THR 146.A N GLU 142.A O no hydrogen 3.287 N/A THR 146.A OG1 SER 143.A O no hydrogen 2.859 N/A LEU 147.A N GLN 144.A O no hydrogen 3.043 N/A HIS 148.A N GLU 145.A O no hydrogen 3.044 N/A LYS 149.A NZ THR 146.A O no hydrogen 2.951 N/A PHE 150.A N LEU 147.A O no hydrogen 3.225 N/A ALA 151.A N HIS 148.A O no hydrogen 3.273 N/A SER 152.A N ARG 129.A O no hydrogen 2.865 N/A GLU 157.A N PRO 154.A O no hydrogen 3.046 N/A PHE 158.A N PRO 154.A O no hydrogen 3.065 N/A VAL 159.A N ALA 155.A O no hydrogen 2.722 N/A LYS 160.A N ILE 131.A O no hydrogen 2.987 N/A LEU 162.A N GLY 133.A O no hydrogen 2.832 N/A THR 164.A OG1 GLU 166.A OE1 no hydrogen 3.394 N/A LYS 167.A N THR 164.A O no hydrogen 3.118 N/A LEU 168.A N PHE 165.A O no hydrogen 3.213 N/A LYS 169.A N GLU 166.A O no hydrogen 3.056 N/A LEU 171.A N LYS 167.A O no hydrogen 2.936 N/A PHE 172.A N LEU 168.A O no hydrogen 2.940 N/A THR 173.A N LYS 169.A O no hydrogen 3.124 N/A THR 173.A OG1 LYS 169.A O no hydrogen 3.302 N/A GLU 174.A N ASP 170.A O no hydrogen 3.016 N/A LEU 175.A N LEU 171.A O no hydrogen 2.821 N/A GLN 176.A N PHE 172.A O no hydrogen 3.192 N/A LYS 177.A N GLU 174.A O no hydrogen 3.000 N/A LYS 178.A N LEU 175.A O no hydrogen 2.912 N/A ILE 179.A N GLN 176.A O no hydrogen 3.305 N/A