Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aiq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N THR 124.A O no hydrogen 2.846 N/A VAL 1.A N ASP 176.A OD1 no hydrogen 3.492 N/A VAL 1.A N ASP 176.A OD2 no hydrogen 2.652 N/A ILE 2.A N ASP 171.A O no hydrogen 2.710 N/A ASP 5.A N CYS 138.A O no hydrogen 2.988 N/A CYS 7.A N PRO 136.A O no hydrogen 2.911 N/A CYS 7.A SG PRO 136.A O no hydrogen 3.384 N/A ASN 8.A N GLU 11.A OE2 no hydrogen 2.860 N/A ASN 10.A N ASN 8.A OD1 no hydrogen 2.779 N/A ASN 10.A ND2 ASN 8.A OD1 no hydrogen 3.616 N/A GLU 11.A N ASN 8.A O no hydrogen 3.086 N/A HIS 12.A NE2 HIS 53.A ND1 no hydrogen 2.743 N/A ARG 13.A NE SER 98.A O no hydrogen 3.342 N/A ARG 13.A NE ALA 99.A O no hydrogen 3.036 N/A ARG 13.A NH1 SER 98.A O no hydrogen 2.808 N/A LEU 15.A N HIS 12.A O no hydrogen 2.930 N/A ALA 16.A N GLY 27.A O no hydrogen 2.780 N/A LEU 17.A N TYR 49.A O no hydrogen 2.881 N/A VAL 18.A N CYS 25.A O no hydrogen 2.749 N/A TYR 19.A N ARG 47.A O no hydrogen 2.898 N/A ALA 20.A N SER 23.A O no hydrogen 2.964 N/A ASN 21.A N GLY 44.A O no hydrogen 2.558 N/A SER 23.A OG ALA 20.A O no hydrogen 2.734 N/A CYS 25.A N VAL 18.A O no hydrogen 2.785 N/A CYS 25.A SG LEU 24.A O no hydrogen 3.161 N/A GLY 26.A N SER 177.A O no hydrogen 2.732 N/A GLY 27.A N ALA 16.A O no hydrogen 2.943 N/A THR 28.A N LEU 36.A O no hydrogen 2.809 N/A LEU 29.A N PHE 14.A O no hydrogen 2.750 N/A ILE 30.A N TRP 34.A O no hydrogen 2.908 N/A GLN 32.A NE2 ASN 97.A OD1 no hydrogen 2.845 N/A GLU 33.A N ASN 31.A OD1 no hydrogen 2.772 N/A VAL 35.A N ILE 89.A O no hydrogen 2.805 N/A LEU 36.A N THR 28.A O no hydrogen 2.827 N/A THR 37.A N MET 87.A O no hydrogen 2.925 N/A THR 37.A OG1 GLY 26.A O no hydrogen 2.679 N/A ALA 38.A N THR 37.A OG1 no hydrogen 2.774 N/A ARG 39.A NE ASP 83.A O no hydrogen 3.136 N/A ARG 39.A NE LYS 84.A O no hydrogen 3.183 N/A ARG 39.A NH2 ASP 83.A O no hydrogen 2.774 N/A HIS 40.A N ASP 85.A OD1 no hydrogen 2.936 N/A HIS 40.A ND1 ASP 85.A OD2 no hydrogen 2.627 N/A CYS 41.A N ALA 38.A O no hydrogen 3.001 N/A CYS 41.A SG SER 177.A O no hydrogen 3.691 N/A ASP 42.A N ARG 39.A O no hydrogen 3.006 N/A ARG 47.A N TYR 19.A O no hydrogen 2.826 N/A ILE 48.A N ARG 65.A O no hydrogen 2.800 N/A TYR 49.A N LEU 17.A O no hydrogen 2.740 N/A LEU 50.A N LEU 63.A O no hydrogen 2.874 N/A HIS 53.A ND1 HIS 12.A NE2 no hydrogen 2.743 N/A HIS 53.A NE2 GLU 6.A OE2 no hydrogen 2.685 N/A LEU 55.A N ASP 134.A O no hydrogen 2.706 N/A LYS 56.A N ASN 54.A OD1 no hydrogen 2.736 N/A VAL 57.A N ASN 54.A O no hydrogen 3.265 N/A ASN 59.A ND2 GLY 51.A O no hydrogen 2.771 N/A ASP 61.A N ASP 61.A OD1 no hydrogen 2.644 N/A ALA 62.A N ASN 59.A O no hydrogen 2.938 N/A LEU 63.A N LEU 50.A O no hydrogen 2.892 N/A ARG 64.A NE TYR 49.A OH no hydrogen 2.840 N/A ARG 64.A NH1 TYR 49.A OH no hydrogen 3.288 N/A ARG 65.A N ILE 48.A O no hydrogen 2.691 N/A ARG 65.A NE ARG 93.A O no hydrogen 2.813 N/A ARG 65.A NH1 ARG 64.A O no hydrogen 2.978 N/A ARG 65.A NH2 PRO 94.A O no hydrogen 2.849 N/A PHE 66.A N ASN 92.A OD1 no hydrogen 2.735 N/A LYS 68.A N ARG 90.A O no hydrogen 2.649 N/A LYS 68.A NZ ASN 92.A O no hydrogen 3.386 N/A GLU 69.A N ARG 90.A O no hydrogen 3.209 N/A LYS 70.A NZ ASP 42.A OD1 no hydrogen 3.340 N/A LYS 70.A NZ ASP 42.A OD2 no hydrogen 2.939 N/A TYR 71.A N LEU 88.A O no hydrogen 2.785 N/A TYR 71.A OH GLU 69.A OE2 no hydrogen 2.574 N/A ASN 75.A ND2 CYS 229E.A O no hydrogen 2.875 N/A ARG 77.A N ASP 83.A OD2 no hydrogen 2.777 N/A ARG 77.A NE ASP 79.A OD1 no hydrogen 2.863 N/A ARG 77.A NH1 ASP 79.A OD1 no hydrogen 3.395 N/A ARG 77.A NH1 ASP 79.A OD2 no hydrogen 2.719 N/A ILE 81.A N GLY 155.A O no hydrogen 2.743 N/A LYS 84.A NZ PRO 230F.A O no hydrogen 2.733 N/A LYS 84.A NZ PRO 231G.A OXT no hydrogen 3.009 N/A MET 87.A N THR 37.A O no hydrogen 2.828 N/A LEU 88.A N TYR 71.A O no hydrogen 2.816 N/A ILE 89.A N VAL 35.A O no hydrogen 2.849 N/A ARG 90.A N GLU 69.A O no hydrogen 2.903 N/A ARG 90.A NE GLU 33.A OE1 no hydrogen 2.834 N/A ARG 90.A NH1 GLU 33.A OE1 no hydrogen 2.883 N/A ARG 90.A NH2 GLU 69.A OE1 no hydrogen 2.915 N/A LEU 91.A N GLU 33.A O no hydrogen 2.661 N/A ASN 92.A N PHE 66.A O no hydrogen 2.863 N/A VAL 95.A N GLN 32.A O no hydrogen 2.744 N/A ARG 96.A NE GLN 32.A OE1 no hydrogen 3.237 N/A SER 98.A N ILE 101.A O no hydrogen 2.864 N/A SER 98.A OG ASP 61.A OD2 no hydrogen 2.610 N/A HIS 100.A N ASP 61.A OD2 no hydrogen 2.780 N/A HIS 100.A ND1 ASP 61.A OD1 no hydrogen 2.635 N/A ILE 101.A N SER 98.A O no hydrogen 3.137 N/A ALA 102.A N ARG 13.A O no hydrogen 3.012 N/A LEU 104.A N LEU 29.A O no hydrogen 2.807 N/A SER 108.A OG ASN 109.A OD1 no hydrogen 2.806 N/A ASN 109.A ND2 PRO 110.A O no hydrogen 2.909 N/A GLY 114.A N ILE 143.A O no hydrogen 2.744 N/A SER 115.A N SER 112.A O no hydrogen 3.001 N/A SER 115.A OG SER 112.A O no hydrogen 2.671 N/A CYS 117.A N ILE 141.A O no hydrogen 2.718 N/A CYS 117.A SG SER 115.A O no hydrogen 3.872 N/A ARG 118.A N ILE 182.A O no hydrogen 2.672 N/A ARG 118.A NE GLU 11.A OE1 no hydrogen 2.902 N/A ARG 118.A NH1 ASN 140.A OD1 no hydrogen 2.981 N/A ARG 118.A NH2 GLU 11.A OE1 no hydrogen 3.483 N/A ARG 118.A NH2 GLU 11.A OE2 no hydrogen 2.942 N/A ILE 119.A N ALA 139.A O no hydrogen 2.877 N/A GLY 121.A N HIS 137.A O no hydrogen 3.007 N/A TRP 122.A NE1 HIS 53.A O no hydrogen 2.927 N/A GLY 123.A N ASP 176.A OD1 no hydrogen 2.768 N/A THR 124.A N LYS 174.A O no hydrogen 2.815 N/A THR 124.A OG1 THR 126.A O no hydrogen 2.559 N/A THR 124.A OG1 THR 131.A O no hydrogen 3.390 N/A ILE 125.A N THR 131.A O no hydrogen 2.898 N/A THR 126.A N THR 124.A OG1 no hydrogen 3.120 N/A THR 126.A OG1 ASN 129.A O no hydrogen 2.423 N/A THR 126.A OG1 THR 131.A OG1 no hydrogen 2.686 N/A SER 127.A OG ASN 196.A OD1 no hydrogen 3.374 N/A THR 131.A N THR 124.A OG1 no hydrogen 2.823 N/A THR 131.A OG1 THR 126.A OG1 no hydrogen 2.686 N/A HIS 137.A N GLY 121.A O no hydrogen 2.890 N/A CYS 138.A N ASP 5.A O no hydrogen 2.742 N/A CYS 138.A SG ILE 119.A O no hydrogen 3.783 N/A ALA 139.A N ILE 119.A O no hydrogen 3.048 N/A ILE 141.A N CYS 117.A O no hydrogen 2.811 N/A ASN 142.A N GLY 164.A O no hydrogen 2.909 N/A ILE 143.A N SER 115.A O no hydrogen 2.916 N/A LEU 144.A N CYS 162.A O no hydrogen 2.781 N/A TYR 146.A OH ALA 157.A O no hydrogen 2.714 N/A TYR 146.A OH THR 160.A OG1 no hydrogen 3.110 N/A ALA 147.A N ASP 145.A OD2 no hydrogen 2.979 N/A VAL 148.A N ASP 145.A O no hydrogen 2.874 N/A CYS 149.A SG GLY 205.A O no hydrogen 3.871 N/A GLN 150.A N TYR 146.A O no hydrogen 2.984 N/A ALA 151.A N ALA 147.A O no hydrogen 2.898 N/A ALA 152.A N VAL 148.A O no hydrogen 3.063 N/A TYR 153.A N CYS 149.A O no hydrogen 2.774 N/A TYR 153.A OH PRO 204.A O no hydrogen 2.574 N/A LEU 156.A N TYR 153.A O no hydrogen 3.216 N/A THR 159.A OG1 ALA 158.A O no hydrogen 2.850 N/A THR 159.A OG1 TYR 213.A OH no hydrogen 2.764 N/A THR 160.A OG1 ALA 157.A O no hydrogen 2.688 N/A LEU 161.A N TYR 207.A O no hydrogen 2.691 N/A CYS 162.A SG ASP 145.A O no hydrogen 3.865 N/A ALA 163.A N GLY 205.A O no hydrogen 2.999 N/A GLY 164.A N ASN 142.A O no hydrogen 2.857 N/A GLY 169.A N ALA 199.A O no hydrogen 2.807 N/A ASP 171.A N ILE 2.A O no hydrogen 3.102 N/A THR 172.A OG1 TYR 207.A OH no hydrogen 2.850 N/A CYS 173.A N ASP 176.A OD2 no hydrogen 2.765 N/A ASP 176.A N CYS 173.A O no hydrogen 2.881 N/A SER 177.A OG HIS 40.A NE2 no hydrogen 3.286 N/A SER 177.A OG SER 192.A O no hydrogen 3.298 N/A GLY 178.A N LEU 191.A O no hydrogen 2.818 N/A GLY 179.A N ASP 176.A O no hydrogen 3.031 N/A LEU 181.A N GLY 189.A O no hydrogen 2.814 N/A ILE 182.A N ARG 118.A O no hydrogen 2.959 N/A CYS 183.A N GLN 186.A O no hydrogen 2.838 N/A ASN 184.A ND2 SER 115.A OG no hydrogen 3.100 N/A GLN 186.A N CYS 183.A O no hydrogen 2.858 N/A GLN 186.A NE2 SER 108.A OG no hydrogen 3.095 N/A GLN 188.A N LEU 181.A O no hydrogen 2.859 N/A GLN 188.A NE2 ASN 109.A O no hydrogen 3.225 N/A GLY 189.A N LEU 181.A O no hydrogen 3.156 N/A ILE 190.A N THR 208.A O no hydrogen 3.003 N/A LEU 191.A N GLY 179.A O no hydrogen 2.866 N/A SER 192.A N ILE 206.A O no hydrogen 2.846 N/A SER 192.A OG ASP 85.A OD2 no hydrogen 2.641 N/A VAL 193.A N ILE 206.A O no hydrogen 3.249 N/A CYS 198.A N SER 127.A OG no hydrogen 2.725 N/A CYS 198.A SG SER 127.A OG no hydrogen 3.644 N/A CYS 198.A SG GLY 195.A O no hydrogen 3.569 N/A ALA 199.A N ASP 171.A OD2 no hydrogen 2.792 N/A ARG 202.A N LEU 166.A O no hydrogen 2.824 N/A LYS 203.A N GLN 200A.A O no hydrogen 3.178 N/A LYS 203.A NZ GLN 200A.A OE1.A no hydrogen 3.286 N/A GLY 205.A N ALA 163.A O no hydrogen 2.844 N/A ILE 206.A N VAL 193.A O no hydrogen 2.756 N/A TYR 207.A N LEU 161.A O no hydrogen 2.895 N/A THR 208.A N ILE 190.A O no hydrogen 2.728 N/A THR 208.A OG1 ASP 85.A O no hydrogen 2.749 N/A LYS 209.A N THR 159.A O no hydrogen 2.838 N/A VAL 210.A N GLN 188.A O no hydrogen 2.924 N/A ASP 212.A N LYS 209.A O no hydrogen 3.013 N/A TYR 213.A N VAL 210.A O no hydrogen 2.827 N/A TYR 213.A OH THR 159.A OG1 no hydrogen 2.764 N/A THR 214.A N PHE 211.A O no hydrogen 3.214 N/A THR 214.A OG1 PHE 211.A O no hydrogen 2.928 N/A ILE 217.A N TYR 213.A O no hydrogen 2.829 N/A GLN 218.A N THR 214.A O no hydrogen 2.847 N/A SER 219.A N ASP 215.A O no hydrogen 2.794 N/A SER 219.A OG.A ASP 215.A O no hydrogen 2.716 N/A ILE 220.A N TRP 216.A O no hydrogen 2.925 N/A ILE 221.A N ILE 217.A O no hydrogen 3.009 N/A SER 222.A N GLN 218.A O no hydrogen 2.867 N/A SER 222.A OG.A GLN 218.A O no hydrogen 2.690 N/A SER 222.A OG.B GLN 218.A O no hydrogen 2.620 N/A ASN 224.A N SER 219.A O no hydrogen 2.629 N/A ASN 224.A ND2 GLY 223.A O no hydrogen 3.016 N/A ASN 78A.A ND2 ASN 78A.A O no hydrogen 2.687 N/A GLU 167A.A N GLU 167A.A OE1 no hydrogen 2.881 N/A GLN 200A.A NE2.A PRO 197.A O no hydrogen 2.634 N/A GLN 200A.A NE2.B CYS 198.A O no hydrogen 2.997 N/A THR 225A.A OG1 SER 219.A OG.B no hydrogen 3.399 N/A GLY 168B.A N ILE 165.A O no hydrogen 2.785 N/A ALA 227C.A N THR 225A.A O no hydrogen 2.737 N/A