Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N LEU 51.A O no hydrogen 2.927 N/A ARG 3.A N ARG 219.A O no hydrogen 2.682 N/A ILE 4.A N VAL 49.A O no hydrogen 2.861 N/A VAL 5.A N GLU 217.A O no hydrogen 2.801 N/A LEU 6.A N ILE 47.A O no hydrogen 2.785 N/A GLU 7.A N LYS 214.A O no hydrogen 2.759 N/A ALA 8.A N LYS 45.A O no hydrogen 2.890 N/A ASP 9.A N PRO 212.A O no hydrogen 2.681 N/A THR 14.A N ASP 17.A OD1 no hydrogen 3.063 N/A THR 14.A OG1 ASP 17.A OD1 no hydrogen 2.501 N/A LEU 18.A N THR 14.A O no hydrogen 3.193 N/A GLU 19.A N LEU 15.A O no hydrogen 2.750 N/A LYS 20.A N ASP 16.A O no hydrogen 2.886 N/A LYS 20.A NZ ASP 16.A O no hydrogen 2.773 N/A ALA 21.A N ASP 17.A O no hydrogen 2.833 N/A ARG 22.A N LEU 18.A O no hydrogen 2.778 N/A ARG 22.A NH2 GLU 26.A OE2 no hydrogen 3.042 N/A THR 23.A N GLU 19.A O no hydrogen 3.071 N/A THR 23.A OG1 GLU 19.A O no hydrogen 3.024 N/A VAL 24.A N LYS 20.A O no hydrogen 2.789 N/A LEU 25.A N ALA 21.A O no hydrogen 2.996 N/A GLU 26.A N ARG 22.A O no hydrogen 3.002 N/A ASN 27.A N THR 23.A O no hydrogen 3.080 N/A ARG 28.A N VAL 24.A O no hydrogen 3.009 N/A ARG 28.A NE SER 206.A OG no hydrogen 2.985 N/A ARG 28.A NH1 LEU 65.A O no hydrogen 2.624 N/A ARG 28.A NH1 GLN 68.A O no hydrogen 2.736 N/A ARG 28.A NH2 GLN 68.A O no hydrogen 3.461 N/A ARG 28.A NH2 ARG 69.A O no hydrogen 3.262 N/A ARG 28.A NH2 GLY 207.A O no hydrogen 3.481 N/A ILE 29.A N LEU 25.A O no hydrogen 3.084 N/A ASN 30.A N GLU 26.A O no hydrogen 2.580 N/A ALA 31.A N ASN 27.A O no hydrogen 2.530 N/A LEU 32.A N ARG 28.A O no hydrogen 3.113 N/A LEU 32.A N ILE 29.A O no hydrogen 3.216 N/A GLY 33.A N ILE 29.A O no hydrogen 3.392 N/A VAL 34.A N ILE 29.A O no hydrogen 3.323 N/A GLN 40.A N VAL 48.A O no hydrogen 3.035 N/A GLN 42.A N ARG 46.A O no hydrogen 2.857 N/A LYS 45.A NZ VAL 10.A O no hydrogen 3.021 N/A ILE 47.A N LEU 6.A O no hydrogen 2.776 N/A VAL 48.A N GLN 40.A O no hydrogen 2.748 N/A VAL 49.A N ILE 4.A O no hydrogen 2.947 N/A GLU 50.A N LEU 38.A O no hydrogen 2.919 N/A LEU 51.A N LEU 2.A O no hydrogen 2.640 N/A GLN 59.A N SER 55.A O no hydrogen 2.871 N/A ASP 60.A N GLN 56.A O no hydrogen 3.249 N/A ARG 61.A N ALA 57.A O no hydrogen 3.437 N/A ALA 62.A N ASP 58.A O no hydrogen 2.659 N/A LEU 63.A N GLN 59.A O no hydrogen 2.847 N/A LYS 64.A N ASP 60.A O no hydrogen 2.864 N/A LEU 65.A N ARG 61.A O no hydrogen 2.821 N/A ILE 66.A N ALA 62.A O no hydrogen 2.993 N/A GLY 67.A N LEU 63.A O no hydrogen 2.882 N/A GLY 67.A N LYS 64.A O no hydrogen 2.866 N/A GLN 68.A NE2 LYS 64.A O no hydrogen 3.471 N/A ALA 70.A N ASP 168.A OD2 no hydrogen 2.906 N/A VAL 71.A N ASP 168.A OD1 no hydrogen 3.029 N/A GLU 73.A N VAL 166.A O no hydrogen 2.934 N/A PHE 74.A N LEU 119.A O no hydrogen 2.979 N/A ARG 75.A N ALA 164.A O no hydrogen 2.900 N/A ARG 75.A NE GLU 73.A OE1 no hydrogen 3.279 N/A ARG 75.A NH1 GLY 115.A O no hydrogen 2.509 N/A ARG 75.A NH2 GLU 73.A OE1 no hydrogen 3.137 N/A VAL 77.A N ARG 162.A O no hydrogen 2.989 N/A LYS 78.A N ASP 113.A O no hydrogen 3.015 N/A THR 84.A N ASP 107.A O no hydrogen 3.011 N/A THR 84.A OG1 ASP 107.A O no hydrogen 3.474 N/A THR 85.A N GLN 88.A OE1 no hydrogen 3.178 N/A THR 85.A OG1 TYR 172.A O no hydrogen 3.419 N/A VAL 86.A N VAL 171.A O no hydrogen 2.847 N/A ALA 87.A N TYR 172.A O no hydrogen 2.918 N/A GLN 88.A N THR 85.A OG1 no hydrogen 3.325 N/A ILE 89.A N THR 85.A O no hydrogen 3.026 N/A ASN 90.A N VAL 86.A O no hydrogen 2.674 N/A ASN 90.A ND2 GLY 190.A O no hydrogen 3.058 N/A GLN 91.A N ALA 87.A O no hydrogen 2.858 N/A ALA 92.A N GLN 88.A O no hydrogen 2.761 N/A LEU 93.A N ILE 89.A O no hydrogen 3.056 N/A ARG 94.A N ASN 90.A O no hydrogen 3.399 N/A ARG 94.A NH2 LEU 191.A O no hydrogen 2.936 N/A GLU 95.A N GLN 91.A O no hydrogen 2.794 N/A ARG 101.A NE GLU 105.A OE2 no hydrogen 3.064 N/A ARG 101.A NH2 ASN 90.A OD1 no hydrogen 2.178 N/A LEU 104.A N ASN 100.A O no hydrogen 2.988 N/A GLU 105.A N ARG 101.A O no hydrogen 2.724 N/A LYS 106.A N GLU 102.A O no hydrogen 3.425 N/A LEU 108.A N GLU 105.A O no hydrogen 2.841 N/A ILE 109.A N THR 84.A O no hydrogen 2.981 N/A LYS 110.A NZ LYS 106.A O no hydrogen 3.508 N/A LYS 110.A NZ LEU 108.A O no hydrogen 3.463 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.517 N/A ASP 113.A N LYS 110.A O no hydrogen 2.907 N/A LEU 114.A N PRO 111.A O no hydrogen 2.837 N/A GLY 115.A N ILE 76.A O no hydrogen 2.853 N/A LEU 118.A N PHE 74.A O no hydrogen 2.746 N/A THR 120.A N ASP 123.A OD2 no hydrogen 3.079 N/A THR 120.A OG1 LEU 72.A O no hydrogen 3.524 N/A GLY 121.A N LEU 72.A O no hydrogen 2.896 N/A ASP 123.A N THR 120.A O no hydrogen 2.727 N/A ALA 125.A N THR 142.A O no hydrogen 2.675 N/A ASP 126.A N THR 142.A O no hydrogen 3.220 N/A ALA 127.A N ASP 126.A OD2 no hydrogen 2.711 N/A ARG 128.A N SER 140.A O no hydrogen 3.227 N/A VAL 130.A N GLN 138.A O no hydrogen 3.008 N/A ASP 132.A N ARG 136.A O no hydrogen 2.918 N/A PHE 134.A N ASP 132.A OD1 no hydrogen 2.916 N/A GLY 135.A N ASP 132.A O no hydrogen 3.246 N/A ARG 136.A N ASP 132.A OD1 no hydrogen 2.782 N/A ARG 136.A NE ASP 132.A OD2 no hydrogen 2.928 N/A ARG 136.A NH2 ASP 132.A OD2 no hydrogen 3.404 N/A GLN 138.A N VAL 130.A O no hydrogen 2.869 N/A VAL 139.A N ILE 188.A O no hydrogen 2.993 N/A SER 140.A N ARG 128.A O no hydrogen 2.938 N/A LEU 141.A N ALA 186.A O no hydrogen 2.541 N/A THR 142.A N ASP 126.A O no hydrogen 3.136 N/A PHE 143.A N GLY 184.A O no hydrogen 2.917 N/A THR 144.A N ASP 123.A O no hydrogen 3.029 N/A THR 144.A OG1 ASP 123.A O no hydrogen 3.457 N/A ALA 148.A N THR 144.A O no hydrogen 2.667 N/A LYS 150.A N GLU 146.A O no hydrogen 3.201 N/A LYS 150.A NZ ASP 123.A OD1 no hydrogen 3.410 N/A PHE 151.A N GLY 147.A O no hydrogen 2.768 N/A GLU 152.A N ALA 148.A O no hydrogen 2.939 N/A GLU 153.A N LYS 149.A O no hydrogen 2.970 N/A VAL 154.A N LYS 150.A O no hydrogen 2.872 N/A THR 155.A N PHE 151.A O no hydrogen 2.878 N/A THR 155.A OG1 PHE 151.A O no hydrogen 3.084 N/A THR 155.A OG1 GLU 152.A O no hydrogen 3.276 N/A ARG 156.A N GLU 152.A O no hydrogen 2.726 N/A ARG 156.A NH1 GLU 152.A OE2 no hydrogen 3.116 N/A ARG 156.A NH2 GLU 152.A OE2 no hydrogen 2.908 N/A GLN 157.A N GLU 153.A O no hydrogen 3.180 N/A GLN 157.A N VAL 154.A O no hydrogen 3.072 N/A ASN 158.A N THR 155.A O no hydrogen 3.307 N/A ASN 158.A ND2 VAL 154.A O no hydrogen 3.010 N/A GLY 160.A N ILE 177.A O no hydrogen 2.713 N/A LYS 161.A N ASN 158.A O no hydrogen 2.987 N/A ARG 162.A NH1 ALA 174.A O no hydrogen 3.358 N/A LEU 163.A N PRO 175.A O no hydrogen 2.968 N/A ALA 164.A N ARG 75.A O no hydrogen 2.590 N/A ILE 165.A N THR 173.A O no hydrogen 2.816 N/A VAL 166.A N GLU 73.A O no hydrogen 2.831 N/A LEU 167.A N ARG 170.A O no hydrogen 2.789 N/A ASP 168.A N VAL 71.A O no hydrogen 2.935 N/A ARG 170.A N LEU 167.A O no hydrogen 2.868 N/A ARG 170.A NE GLU 105.A OE1 no hydrogen 3.018 N/A ARG 170.A NH2 GLU 105.A OE1 no hydrogen 3.126 N/A ARG 170.A NH2 GLU 105.A OE2 no hydrogen 2.826 N/A TYR 172.A N ILE 165.A O no hydrogen 2.948 N/A TYR 172.A OH GLU 196.A OE1 no hydrogen 2.915 N/A TYR 172.A OH GLU 196.A OE2 no hydrogen 2.892 N/A ILE 177.A N LYS 161.A O no hydrogen 2.771 N/A ILE 181.A N THR 155.A OG1 no hydrogen 2.612 N/A ALA 186.A N LEU 141.A O no hydrogen 2.801 N/A ILE 188.A N VAL 139.A O no hydrogen 2.701 N/A SER 192.A N GLU 196.A OE2 no hydrogen 2.936 N/A SER 192.A OG GLU 196.A OE2 no hydrogen 2.859 N/A SER 193.A OG GLU 195.A OE1 no hydrogen 3.218 N/A GLU 196.A N SER 193.A OG no hydrogen 3.117 N/A ALA 197.A N SER 193.A O no hydrogen 3.071 N/A SER 198.A N VAL 194.A O no hydrogen 2.723 N/A SER 198.A OG VAL 194.A O no hydrogen 3.367 N/A GLU 199.A N GLU 195.A O no hydrogen 3.041 N/A ILE 200.A N GLU 196.A O no hydrogen 3.024 N/A ALA 201.A N ALA 197.A O no hydrogen 2.921 N/A LEU 202.A N SER 198.A O no hydrogen 2.789 N/A VAL 203.A N GLU 199.A O no hydrogen 2.972 N/A LEU 204.A N ILE 200.A O no hydrogen 3.109 N/A ARG 205.A N ALA 201.A O no hydrogen 2.782 N/A ARG 205.A NH1 ALA 127.A O no hydrogen 2.602 N/A SER 206.A N LEU 202.A O no hydrogen 3.218 N/A SER 206.A N VAL 203.A O no hydrogen 3.150 N/A SER 206.A OG VAL 203.A O no hydrogen 2.570 N/A SER 206.A OG GLY 207.A O no hydrogen 2.872 N/A GLY 207.A N LEU 204.A O no hydrogen 3.091 N/A LEU 209.A N ARG 69.A O no hydrogen 3.034 N/A LYS 214.A N GLU 7.A O no hydrogen 2.567 N/A ALA 216.A N VAL 5.A O no hydrogen 2.739 N/A GLU 217.A N VAL 5.A O no hydrogen 3.331 N/A ARG 219.A N ARG 3.A O no hydrogen 2.693 N/A ILE 221.A N GLY 1.A O no hydrogen 3.050 N/A