Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3quq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 GLU 106.A O no hydrogen 3.332 N/A ARG 3.A NH2 GLU 106.A O no hydrogen 2.764 N/A LYS 5.A N HIS 1.A O no hydrogen 3.328 N/A LYS 5.A N MET 2.A O no hydrogen 3.196 N/A LEU 6.A N MET 2.A O no hydrogen 2.903 N/A LYS 7.A N GLU 167.A O no hydrogen 2.820 N/A LYS 7.A NZ GLU 167.A OE2 no hydrogen 3.360 N/A ALA 8.A N GLU 167.A O no hydrogen 3.102 N/A VAL 9.A N THR 109.A O no hydrogen 3.030 N/A LEU 10.A N VAL 169.A O no hydrogen 2.728 N/A PHE 11.A N MET 111.A O no hydrogen 2.805 N/A ASP 12.A N ILE 171.A O no hydrogen 3.044 N/A GLY 15.A N PHE 18.A O no hydrogen 2.905 N/A VAL 16.A N MET 13.A O no hydrogen 3.125 N/A LEU 17.A N MET 13.A O no hydrogen 2.929 N/A PHE 18.A N MET 13.A O no hydrogen 3.177 N/A ASN 19.A N GLU 91.A O no hydrogen 2.782 N/A ASN 19.A ND2 GLU 91.A OE1 no hydrogen 2.842 N/A SER 20.A OG ASP 14.A OD1 no hydrogen 2.557 N/A HIS 24.A N SER 20.A O no hydrogen 2.969 N/A HIS 24.A NE2 ASP 14.A OD1 no hydrogen 3.002 N/A SER 25.A N MET 21.A O no hydrogen 2.847 N/A SER 25.A OG ARG 41.A O no hydrogen 2.764 N/A GLU 26.A N PRO 22.A O no hydrogen 2.944 N/A ALA 27.A N TYR 23.A O no hydrogen 2.953 N/A TRP 28.A N HIS 24.A O no hydrogen 2.976 N/A HIS 29.A N SER 25.A O no hydrogen 2.821 N/A HIS 29.A ND1 LEU 39.A O no hydrogen 2.778 N/A GLN 30.A N GLU 26.A O no hydrogen 2.853 N/A GLN 30.A NE2.B GLU 26.A OE2 no hydrogen 3.125 N/A VAL 31.A N ALA 27.A O no hydrogen 2.920 N/A MET 32.A N TRP 28.A O no hydrogen 3.150 N/A LYS 33.A N HIS 29.A O no hydrogen 2.946 N/A LYS 33.A NZ.A HIS 29.A NE2 no hydrogen 3.197 N/A THR 34.A N GLN 30.A O no hydrogen 2.912 N/A THR 34.A OG1 VAL 31.A O no hydrogen 3.055 N/A HIS 35.A N VAL 31.A O no hydrogen 3.381 N/A HIS 35.A N MET 32.A O no hydrogen 2.969 N/A HIS 35.A NE2 GLU 79.A OE1 no hydrogen 2.866 N/A HIS 35.A NE2 GLU 79.A OE2 no hydrogen 3.051 N/A GLY 36.A N LYS 33.A O no hydrogen 2.969 N/A LEU 37.A N MET 32.A O no hydrogen 2.847 N/A ASP 38.A N GLU 63.A OE2.B no hydrogen 2.864 N/A ARG 41.A NE GLU 26.A OE1 no hydrogen 2.758 N/A ARG 41.A NH2 GLU 26.A OE2 no hydrogen 2.912 N/A GLU 43.A N SER 40.A OG no hydrogen 2.936 N/A ALA 44.A N SER 40.A O no hydrogen 3.069 N/A TYR 45.A N ARG 41.A O no hydrogen 3.418 N/A MET 46.A N GLU 42.A O no hydrogen 3.253 N/A HIS 47.A N GLU 43.A O no hydrogen 3.212 N/A HIS 47.A N ALA 44.A O no hydrogen 3.286 N/A HIS 47.A NE2 GLU 43.A OE2 no hydrogen 2.817 N/A GLU 48.A N TYR 45.A O no hydrogen 3.218 N/A ARG 50.A N HIS 47.A O no hydrogen 2.941 N/A ARG 50.A NE HIS 47.A ND1 no hydrogen 3.016 N/A SER 54.A N THR 51.A OG1 no hydrogen 2.974 N/A THR 55.A N THR 51.A O no hydrogen 3.112 N/A THR 55.A OG1 THR 51.A O no hydrogen 3.105 N/A ILE 56.A N GLY 52.A O no hydrogen 3.010 N/A ASN 57.A N ALA 53.A O no hydrogen 3.015 N/A ASN 57.A ND2.A GLU 67.A OE2 no hydrogen 2.903 N/A ILE 58.A N SER 54.A O no hydrogen 2.880 N/A VAL 59.A N THR 55.A O no hydrogen 3.208 N/A PHE 60.A N ILE 56.A O no hydrogen 2.879 N/A GLN 61.A N ASN 57.A O no hydrogen 2.939 N/A ARG 62.A N ILE 58.A O no hydrogen 3.142 N/A ARG 62.A NE GLU 63.A OE1.A no hydrogen 2.897 N/A ARG 62.A NH1 GLU 43.A OE2 no hydrogen 2.673 N/A ARG 62.A NH2 ASP 38.A O no hydrogen 3.000 N/A ARG 62.A NH2 GLU 43.A OE2 no hydrogen 3.462 N/A GLU 63.A N VAL 59.A O no hydrogen 2.953 N/A LEU 64.A N PHE 60.A O no hydrogen 2.774 N/A GLY 65.A N GLN 61.A O no hydrogen 3.223 N/A ALA 68.A N ASN 57.A OD1.A no hydrogen 3.112 N/A ALA 68.A N ASN 57.A OD1.B no hydrogen 2.920 N/A THR 69.A N GLU 72.A OE1 no hydrogen 2.702 N/A THR 69.A OG1 GLU 72.A OE1 no hydrogen 2.776 N/A GLN 70.A NE2 GLU 74.A OE2 no hydrogen 2.909 N/A GLU 72.A N THR 69.A OG1 no hydrogen 3.164 N/A ILE 73.A N THR 69.A O no hydrogen 3.063 N/A GLU 74.A N GLN 70.A O no hydrogen 3.010 N/A SER 75.A N GLU 71.A O no hydrogen 3.158 N/A SER 75.A OG.A GLU 79.A OE2 no hydrogen 3.058 N/A SER 75.A OG.B GLU 71.A O no hydrogen 2.951 N/A ILE 76.A N GLU 72.A O no hydrogen 3.024 N/A TYR 77.A N ILE 73.A O no hydrogen 2.872 N/A HIS 78.A N GLU 74.A O no hydrogen 2.972 N/A GLU 79.A N SER 75.A O no hydrogen 2.912 N/A LYS 80.A N ILE 76.A O no hydrogen 2.796 N/A LYS 80.A NZ HIS 24.A ND1 no hydrogen 2.874 N/A SER 81.A N TYR 77.A O no hydrogen 2.915 N/A SER 81.A OG.A TYR 77.A O no hydrogen 3.096 N/A ILE 82.A N HIS 78.A O no hydrogen 2.891 N/A LEU 83.A N GLU 79.A O no hydrogen 3.017 N/A PHE 84.A N LYS 80.A O no hydrogen 2.887 N/A ASN 85.A N SER 81.A O no hydrogen 2.932 N/A SER 86.A N ILE 82.A O no hydrogen 3.019 N/A SER 86.A N LEU 83.A O no hydrogen 2.945 N/A SER 86.A OG LEU 83.A O no hydrogen 2.653 N/A TYR 87.A N LEU 83.A O no hydrogen 3.286 N/A TYR 87.A N PHE 84.A O no hydrogen 3.239 N/A GLU 91.A N GLU 91.A OE2 no hydrogen 2.726 N/A ARG 92.A NH2.B ASN 128.A O no hydrogen 2.903 N/A MET 93.A N LEU 17.A O no hydrogen 2.865 N/A ALA 96.A N MET 93.A O no hydrogen 2.980 N/A TRP 97.A NE1 GLN 101.A OE1 no hydrogen 2.927 N/A GLU 98.A N GLU 98.A OE2 no hydrogen 2.732 N/A LEU 99.A N GLY 95.A O no hydrogen 2.948 N/A LEU 100.A N ALA 96.A O no hydrogen 2.959 N/A GLN 101.A N TRP 97.A O no hydrogen 2.801 N/A LYS 102.A N GLU 98.A O no hydrogen 2.896 N/A LYS 102.A NZ.A ASP 221.A OD1 no hydrogen 3.222 N/A LYS 102.A NZ.A ASP 221.A OD2 no hydrogen 3.277 N/A LYS 102.A NZ.B CYS 217.A O no hydrogen 2.791 N/A VAL 103.A N LEU 99.A O no hydrogen 2.868 N/A LYS 104.A N LEU 100.A O no hydrogen 2.936 N/A SER 105.A N GLN 101.A O no hydrogen 2.934 N/A SER 105.A OG LYS 102.A O no hydrogen 2.719 N/A GLU 106.A N LYS 102.A O no hydrogen 3.229 N/A GLU 106.A N VAL 103.A O no hydrogen 3.120 N/A GLY 107.A N LYS 104.A O no hydrogen 2.964 N/A LEU 108.A N VAL 103.A O no hydrogen 3.091 N/A THR 109.A N LYS 7.A O no hydrogen 2.867 N/A MET 111.A N VAL 9.A O no hydrogen 2.864 N/A VAL 113.A N PHE 11.A O no hydrogen 2.889 N/A THR 114.A N VAL 139.A O no hydrogen 2.913 N/A SER 116.A N THR 114.A OG1 no hydrogen 2.927 N/A GLN 118.A N SER 116.A OG no hydrogen 2.990 N/A LEU 121.A N GLN 118.A O no hydrogen 3.095 N/A LEU 122.A N GLN 118.A O no hydrogen 2.920 N/A GLU 123.A N LEU 119.A O no hydrogen 2.906 N/A ARG 124.A N LEU 121.A O no hydrogen 2.968 N/A ARG 124.A NH1 ALA 90.A O no hydrogen 2.839 N/A ARG 124.A NH2 ALA 90.A O no hydrogen 2.694 N/A ARG 124.A NH2 ASN 128.A OD1 no hydrogen 3.413 N/A LEU 125.A N LEU 122.A O no hydrogen 3.166 N/A ASN 128.A N ARG 124.A O no hydrogen 2.821 N/A ASN 128.A ND2 ARG 124.A O no hydrogen 3.167 N/A PHE 129.A N LEU 125.A O no hydrogen 2.920 N/A MET 132.A N PHE 129.A O no hydrogen 3.047 N/A LEU 137.A N HIS 134.A O no hydrogen 2.788 N/A VAL 139.A N VAL 112.A O no hydrogen 2.818 N/A THR 140.A N ASP 143.A OD2 no hydrogen 2.894 N/A THR 140.A OG1 ASP 143.A OD2 no hydrogen 3.555 N/A ALA 141.A N SER 116.A O no hydrogen 2.956 N/A PHE 142.A N THR 140.A OG1 no hydrogen 3.166 N/A ASP 143.A N THR 140.A O no hydrogen 2.975 N/A VAL 144.A N ALA 141.A O no hydrogen 3.311 N/A LYS 145.A N GLU 152.A OE2 no hydrogen 2.790 N/A TYR 146.A N GLU 152.A OE1 no hydrogen 2.854 N/A LYS 148.A NZ VAL 113.A O no hydrogen 3.084 N/A LYS 148.A NZ GLU 172.A OE2 no hydrogen 2.749 N/A ASN 150.A N GLY 147.A O no hydrogen 2.963 N/A GLU 152.A N ASN 150.A OD1 no hydrogen 2.910 N/A TYR 154.A OH GLU 172.A OE2 no hydrogen 2.603 N/A LEU 155.A N PRO 151.A O no hydrogen 2.956 N/A MET 156.A N GLU 152.A O no hydrogen 2.794 N/A ALA 157.A N PRO 153.A O no hydrogen 2.987 N/A LEU 158.A N TYR 154.A O no hydrogen 3.044 N/A LYS 159.A N LEU 155.A O no hydrogen 3.025 N/A LYS 160.A N MET 156.A O no hydrogen 2.793 N/A LYS 160.A NZ MET 138.A O no hydrogen 2.778 N/A LYS 160.A NZ ASP 143.A OD1 no hydrogen 2.884 N/A GLY 161.A N ALA 157.A O no hydrogen 2.943 N/A GLY 162.A N LYS 159.A O no hydrogen 3.199 N/A LEU 163.A N LEU 158.A O no hydrogen 2.876 N/A LYS 164.A N GLU 167.A OE1 no hydrogen 2.935 N/A GLU 167.A N LYS 164.A O no hydrogen 2.924 N/A ALA 168.A N ALA 165.A O no hydrogen 3.306 N/A VAL 169.A N ALA 8.A O no hydrogen 3.221 N/A VAL 170.A N PHE 187.A O no hydrogen 2.864 N/A ILE 171.A N LEU 10.A O no hydrogen 2.907 N/A GLU 172.A N ILE 189.A O no hydrogen 3.013 N/A ASN 173.A N GLU 172.A OE1 no hydrogen 3.248 N/A ASN 173.A ND2 GLU 48.A OE1 no hydrogen 2.875 N/A ASN 173.A ND2 GLU 48.A OE2 no hydrogen 3.300 N/A VAL 178.A N ALA 174.A O no hydrogen 2.849 N/A GLU 179.A N PRO 175.A O no hydrogen 2.981 N/A ALA 180.A N LEU 176.A O no hydrogen 3.118 N/A GLY 181.A N GLY 177.A O no hydrogen 3.053 N/A HIS 182.A N VAL 178.A O no hydrogen 2.903 N/A LYS 183.A N GLU 179.A O no hydrogen 2.819 N/A LYS 183.A NZ.B GLU 179.A OE2 no hydrogen 2.823 N/A ALA 184.A N ALA 180.A O no hydrogen 3.011 N/A ALA 184.A N GLY 181.A O no hydrogen 3.176 N/A GLY 185.A N HIS 182.A O no hydrogen 2.941 N/A ILE 186.A N GLY 181.A O no hydrogen 3.266 N/A THR 188.A N ASP 207.A OD2 no hydrogen 2.847 N/A THR 188.A OG1 ILE 186.A O no hydrogen 2.865 N/A ILE 189.A N VAL 170.A O no hydrogen 2.816 N/A ALA 190.A N LEU 208.A O no hydrogen 2.863 N/A VAL 191.A N GLU 172.A O no hydrogen 2.801 N/A ASN 192.A N PHE 210.A O no hydrogen 2.805 N/A ASN 192.A ND2 LEU 196.A O no hydrogen 2.857 N/A THR 193.A OG1 GLY 15.A O no hydrogen 2.738 N/A GLN 199.A N ASP 197.A OD1 no hydrogen 2.851 N/A GLN 199.A NE2 ASP 203.A OD1 no hydrogen 2.706 N/A VAL 200.A N ASP 197.A O no hydrogen 2.919 N/A LEU 201.A N GLY 198.A O no hydrogen 2.980 N/A LEU 202.A N GLY 198.A O no hydrogen 3.112 N/A ASP 203.A N GLN 199.A O no hydrogen 2.814 N/A ALA 204.A N VAL 200.A O no hydrogen 3.127 N/A GLY 205.A N LEU 202.A O no hydrogen 2.996 N/A ALA 206.A N LEU 201.A O no hydrogen 3.266 N/A ASP 207.A N THR 188.A O no hydrogen 2.772 N/A LEU 208.A N THR 188.A O no hydrogen 3.485 N/A PHE 210.A N ALA 190.A O no hydrogen 2.861 N/A SER 212.A N THR 215.A OG1 no hydrogen 3.117 N/A SER 212.A OG THR 215.A OG1 no hydrogen 3.100 N/A GLN 214.A NE2 GLN 214.A O no hydrogen 3.408 N/A GLN 214.A NE2 ASP 218.A OD1 no hydrogen 3.170 N/A THR 215.A N SER 212.A OG no hydrogen 3.126 N/A THR 215.A OG1 SER 212.A O no hydrogen 2.854 N/A THR 215.A OG1 SER 212.A OG no hydrogen 3.100 N/A LEU 216.A N SER 212.A O no hydrogen 3.116 N/A CYS 217.A N MET 213.A O no hydrogen 2.884 N/A ASP 218.A N GLN 214.A O no hydrogen 2.921 N/A SER 219.A N THR 215.A O no hydrogen 3.128 N/A SER 219.A N LEU 216.A O no hydrogen 3.080 N/A SER 219.A OG THR 215.A O no hydrogen 3.167 N/A TRP 220.A N CYS 217.A O no hydrogen 3.234 N/A TRP 220.A NE1 GLU 106.A OE1 no hydrogen 2.813 N/A THR 222.A N SER 219.A O no hydrogen 3.090 N/A THR 222.A OG1 SER 219.A O no hydrogen 2.963 N/A ILE 223.A N SER 219.A O no hydrogen 3.239 N/A ILE 223.A N TRP 220.A O no hydrogen 3.089 N/A MET 224.A N TRP 220.A O no hydrogen 3.129 N/A LEU 225.A N ASP 221.A O no hydrogen 3.333 N/A