Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gqs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 78.A OE2 no hydrogen 2.880 N/A GLN 4.A N SER 17.A O no hydrogen 2.701 N/A LEU 7.A N VAL 15.A O no hydrogen 2.770 N/A TYR 8.A N VAL 15.A O no hydrogen 3.448 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 3.241 N/A ARG 9.A NH1 GLU 6.A OE1 no hydrogen 2.673 N/A GLY 10.A N LYS 13.A O no hydrogen 2.875 N/A LYS 11.A NZ ASP 125.A OD1 no hydrogen 2.991 N/A LYS 11.A NZ ASP 125.A OD2 no hydrogen 3.470 N/A LYS 13.A NZ ASP 191.A OD1 no hydrogen 2.661 N/A LYS 13.A NZ GLU 192.A OE1 no hydrogen 2.647 N/A THR 14.A N GLU 27.A O no hydrogen 2.871 N/A VAL 15.A N TYR 8.A O no hydrogen 2.892 N/A TYR 16.A N VAL 25.A O no hydrogen 2.830 N/A TYR 16.A OH GLU 27.A OE2 no hydrogen 2.735 N/A SER 17.A N ALA 5.A O no hydrogen 3.035 N/A SER 17.A OG ALA 5.A O no hydrogen 3.383 N/A THR 18.A OG1 ASN 20.A O no hydrogen 3.025 N/A THR 18.A OG1 LEU 23.A O no hydrogen 2.938 N/A ASN 20.A N THR 18.A OG1 no hydrogen 3.058 N/A ASP 22.A N ASN 20.A OD1 no hydrogen 2.788 N/A LEU 23.A N ASN 20.A O no hydrogen 3.028 N/A LEU 24.A N VAL 81.A O no hydrogen 2.746 N/A VAL 25.A N TYR 16.A O no hydrogen 2.945 N/A LEU 26.A N CYS 79.A O no hydrogen 2.884 N/A GLU 27.A N THR 14.A O no hydrogen 2.840 N/A PHE 28.A N THR 77.A O no hydrogen 2.824 N/A ARG 29.A N ALA 12.A O no hydrogen 2.985 N/A ARG 29.A NE ASP 31.A OD1 no hydrogen 3.007 N/A ARG 29.A NH1 THR 14.A OG1 no hydrogen 2.945 N/A ARG 29.A NH2 GLY 10.A O no hydrogen 2.947 N/A ARG 29.A NH2 ASP 31.A OD1 no hydrogen 2.963 N/A THR 32.A N GLU 41.A O no hydrogen 2.622 N/A THR 32.A OG1 ASN 30.A O no hydrogen 3.240 N/A SER 33.A OG ALA 34.A O no hydrogen 3.488 N/A ALA 34.A N ARG 39.A O no hydrogen 2.839 N/A GLY 37.A N ALA 34.A O no hydrogen 3.132 N/A ALA 38.A N GLY 35.A O no hydrogen 3.135 N/A ARG 39.A N ALA 34.A O no hydrogen 3.174 N/A ARG 39.A NH2 PHE 214.A O no hydrogen 3.318 N/A GLU 41.A N THR 32.A O no hydrogen 2.866 N/A PHE 43.A N ASN 30.A O no hydrogen 3.178 N/A ARG 45.A NE GLU 226.A OE1 no hydrogen 2.658 N/A ARG 45.A NH1 ASP 237.A OD1 no hydrogen 3.307 N/A ARG 45.A NH2 GLU 226.A OE1 no hydrogen 3.250 N/A ARG 45.A NH2 ASP 237.A OD1 no hydrogen 3.368 N/A ARG 45.A NH2 ASP 237.A OD2 no hydrogen 3.513 N/A LYS 46.A N PHE 43.A O no hydrogen 3.197 N/A LYS 46.A NZ ASP 31.A O no hydrogen 2.777 N/A LYS 46.A NZ ASP 196.A OD2 no hydrogen 2.708 N/A GLY 47.A N ASN 30.A OD1 no hydrogen 2.956 N/A VAL 49.A N ARG 45.A O no hydrogen 2.930 N/A ASN 50.A N LYS 46.A O no hydrogen 2.993 N/A ASN 51.A N GLY 47.A O no hydrogen 2.930 N/A ASN 51.A ND2 ASP 76.A O no hydrogen 2.947 N/A ASN 51.A ND2 GLU 78.A O no hydrogen 3.320 N/A LYS 52.A N MET 48.A O no hydrogen 3.152 N/A LYS 52.A NZ LEU 236.A O no hydrogen 2.901 N/A PHE 53.A N VAL 49.A O no hydrogen 2.844 N/A ASN 54.A N ASN 50.A O no hydrogen 2.811 N/A TYR 55.A N ASN 51.A O no hydrogen 3.090 N/A PHE 56.A N LYS 52.A O no hydrogen 3.153 N/A ILE 57.A N PHE 53.A O no hydrogen 3.011 N/A MET 58.A N ASN 54.A O no hydrogen 2.885 N/A SER 59.A N TYR 55.A O no hydrogen 2.921 N/A LYS 60.A N PHE 56.A O no hydrogen 3.084 N/A LEU 61.A N ILE 57.A O no hydrogen 2.849 N/A ALA 62.A N MET 58.A O no hydrogen 2.815 N/A GLU 63.A N SER 59.A O no hydrogen 3.127 N/A ALA 64.A N LYS 60.A O no hydrogen 3.305 N/A ALA 64.A N LEU 61.A O no hydrogen 2.903 N/A GLY 65.A N ALA 62.A O no hydrogen 3.042 N/A ILE 66.A N LEU 61.A O no hydrogen 3.077 N/A GLN 69.A N LEU 189.A O no hydrogen 2.973 N/A GLN 69.A NE2 ASP 191.A O no hydrogen 2.799 N/A GLU 71.A N LEU 80.A O no hydrogen 3.026 N/A ARG 72.A N LEU 80.A O no hydrogen 3.365 N/A LEU 74.A N GLU 78.A O no hydrogen 2.898 N/A SER 75.A N GLU 78.A O no hydrogen 3.393 N/A SER 75.A OG GLU 78.A OE1 no hydrogen 2.803 N/A THR 77.A N SER 75.A OG no hydrogen 3.263 N/A GLU 78.A N SER 75.A OG no hydrogen 3.163 N/A CYS 79.A N LEU 26.A O no hydrogen 3.040 N/A CYS 79.A SG LEU 26.A O no hydrogen 3.906 N/A LEU 80.A N ARG 72.A O no hydrogen 2.676 N/A VAL 81.A N LEU 24.A O no hydrogen 2.813 N/A LYS 82.A N GLN 69.A O no hydrogen 2.875 N/A LYS 83.A N ASP 22.A O no hydrogen 2.847 N/A ASP 85.A N LEU 182.A O no hydrogen 2.913 N/A VAL 87.A N PHE 180.A O no hydrogen 2.898 N/A VAL 89.A N VAL 87.A O no hydrogen 2.708 N/A GLU 90.A N PHE 121.A O no hydrogen 2.695 N/A CYS 91.A N LEU 178.A O no hydrogen 2.815 N/A VAL 92.A N ASP 119.A O no hydrogen 2.914 N/A VAL 93.A N PHE 176.A O no hydrogen 3.186 N/A ARG 94.A N LEU 117.A O no hydrogen 2.982 N/A ARG 94.A NE ASP 119.A OD2 no hydrogen 2.613 N/A ARG 94.A NH2 ASP 119.A OD2 no hydrogen 3.076 N/A ASN 95.A N VAL 174.A O no hydrogen 2.722 N/A ASN 95.A ND2 ASN 159.A OD1 no hydrogen 2.895 N/A ASN 95.A ND2 LEU 173.A O no hydrogen 2.885 N/A ARG 96.A N VAL 174.A O no hydrogen 3.170 N/A ALA 97.A N ILE 111.A O no hydrogen 2.735 N/A LEU 101.A N ALA 98.A O no hydrogen 3.104 N/A LYS 103.A N GLY 99.A O no hydrogen 3.189 N/A ARG 104.A N SER 100.A O no hydrogen 2.798 N/A ARG 104.A NH2 SER 100.A OG no hydrogen 3.385 N/A LEU 105.A N LEU 101.A O no hydrogen 2.969 N/A GLY 106.A N VAL 102.A O no hydrogen 2.771 N/A GLY 110.A N ALA 97.A O no hydrogen 2.807 N/A ILE 111.A N GLU 108.A O no hydrogen 3.342 N/A LEU 113.A N ASN 95.A O no hydrogen 2.742 N/A LEU 117.A N ARG 94.A O no hydrogen 3.015 N/A ASP 119.A N VAL 92.A O no hydrogen 2.671 N/A PHE 121.A N GLU 90.A O no hydrogen 3.044 N/A LEU 122.A N PRO 130.A O no hydrogen 2.961 N/A LYS 123.A N PRO 88.A O no hydrogen 2.947 N/A LYS 123.A NZ GLU 179.A OE1 no hydrogen 2.939 N/A ASN 124.A N ASP 129.A OD1 no hydrogen 3.047 N/A MET 127.A N ASN 124.A O no hydrogen 3.061 N/A MET 127.A N ASN 124.A OD1 no hydrogen 2.781 N/A HIS 128.A N ASP 125.A O no hydrogen 2.828 N/A ASP 129.A N ASN 124.A O no hydrogen 2.895 N/A VAL 132.A N LEU 120.A O no hydrogen 3.080 N/A SER 135.A N ASN 133.A OD1 no hydrogen 2.786 N/A SER 135.A OG ASN 133.A OD1 no hydrogen 2.539 N/A TYR 136.A N ASN 133.A O no hydrogen 2.989 N/A CYS 137.A SG ASN 133.A O no hydrogen 3.890 N/A GLU 138.A N GLU 134.A O no hydrogen 3.434 N/A THR 139.A N SER 135.A O no hydrogen 2.967 N/A THR 139.A OG1 SER 135.A O no hydrogen 3.075 N/A PHE 140.A N TYR 136.A O no hydrogen 2.936 N/A GLY 141.A N GLU 138.A O no hydrogen 3.316 N/A TRP 142.A N CYS 137.A O no hydrogen 2.978 N/A ASN 147.A N SER 144.A OG no hydrogen 3.236 N/A LEU 148.A N SER 144.A O no hydrogen 2.979 N/A ALA 149.A N LYS 145.A O no hydrogen 2.947 N/A ARG 150.A N GLU 146.A O no hydrogen 3.034 N/A ARG 150.A NH1 GLU 153.A OE1 no hydrogen 2.890 N/A MET 151.A N ASN 147.A O no hydrogen 2.876 N/A LYS 152.A N LEU 148.A O no hydrogen 2.939 N/A LYS 152.A NZ GLU 134.A OE1 no hydrogen 2.823 N/A GLU 153.A N ALA 149.A O no hydrogen 3.008 N/A LEU 154.A N ARG 150.A O no hydrogen 2.854 N/A THR 155.A N MET 151.A O no hydrogen 2.940 N/A THR 155.A OG1 MET 151.A O no hydrogen 2.654 N/A TYR 156.A N LYS 152.A O no hydrogen 3.025 N/A LYS 157.A N GLU 153.A O no hydrogen 2.995 N/A LYS 157.A NZ ALA 64.A O no hydrogen 2.888 N/A ALA 158.A N LEU 154.A O no hydrogen 2.947 N/A ASN 159.A N THR 155.A O no hydrogen 3.028 N/A ASN 159.A ND2 ASN 95.A OD1 no hydrogen 3.056 N/A ASP 160.A N TYR 156.A O no hydrogen 3.049 N/A VAL 161.A N LYS 157.A O no hydrogen 3.025 N/A LEU 162.A N ALA 158.A O no hydrogen 2.859 N/A LYS 163.A N ASN 159.A O no hydrogen 2.860 N/A LEU 165.A N VAL 161.A O no hydrogen 3.139 N/A PHE 166.A N LEU 162.A O no hydrogen 2.866 N/A ASP 167.A N LYS 163.A O no hydrogen 2.922 N/A ASP 168.A N LYS 164.A O no hydrogen 2.867 N/A ALA 169.A N PHE 166.A O no hydrogen 2.886 N/A GLY 170.A N ASP 167.A O no hydrogen 2.916 N/A LEU 171.A N PHE 166.A O no hydrogen 2.641 N/A ILE 172.A N TRP 201.A O no hydrogen 2.666 N/A VAL 174.A N ARG 199.A O no hydrogen 2.924 N/A PHE 176.A N VAL 93.A O no hydrogen 3.100 N/A LYS 177.A N GLY 197.A O no hydrogen 2.852 N/A LYS 177.A NZ GLU 179.A OE1 no hydrogen 2.886 N/A LEU 178.A N CYS 91.A O no hydrogen 2.768 N/A GLY 181.A N VAL 188.A O no hydrogen 2.894 N/A LEU 182.A N ASP 85.A O no hydrogen 2.864 N/A TYR 183.A N GLU 186.A O no hydrogen 2.819 N/A GLU 186.A N TYR 183.A O no hydrogen 3.057 N/A VAL 188.A N GLY 181.A O no hydrogen 2.780 N/A LEU 189.A N PRO 67.A O no hydrogen 2.880 N/A GLY 190.A N GLU 179.A O no hydrogen 3.005 N/A PHE 193.A N ASN 54.A OD1 no hydrogen 2.863 N/A SER 194.A OG GLU 192.A OE2 no hydrogen 2.633 N/A ASP 196.A N SER 194.A OG no hydrogen 3.242 N/A GLY 197.A N SER 194.A O no hydrogen 2.984 N/A SER 198.A OG SER 194.A O no hydrogen 3.030 N/A ARG 199.A N ASP 175.A O no hydrogen 2.952 N/A ARG 199.A NE ASP 212.A OD2 no hydrogen 2.823 N/A ARG 199.A NH1 ASP 175.A OD2 no hydrogen 2.853 N/A ARG 199.A NH2 ASP 212.A OD1 no hydrogen 3.408 N/A LEU 200.A N ASP 210.A OD2 no hydrogen 2.813 N/A TRP 201.A N ILE 172.A O no hydrogen 2.967 N/A ASP 202.A N GLU 207.A O no hydrogen 2.939 N/A LYS 203.A N GLY 170.A O no hydrogen 2.922 N/A LYS 203.A NZ ASP 167.A OD1 no hydrogen 2.625 N/A GLU 204.A N ASP 202.A OD1 no hydrogen 3.164 N/A THR 205.A N ASP 202.A OD1 no hydrogen 2.893 N/A THR 205.A OG1 ASP 202.A OD1 no hydrogen 2.850 N/A LEU 206.A N ASP 202.A O no hydrogen 2.715 N/A GLU 207.A N THR 205.A OG1 no hydrogen 3.212 N/A LYS 208.A NZ GLU 109.A OE2 no hydrogen 3.024 N/A MET 209.A N LEU 200.A O no hydrogen 2.990 N/A LYS 211.A N PRO 195.A O no hydrogen 3.074 N/A LYS 211.A NZ SER 33.A O no hydrogen 2.779 N/A ASP 212.A N ASP 210.A OD1 no hydrogen 2.689 N/A ARG 213.A N ASP 210.A O no hydrogen 2.949 N/A ARG 213.A NE GLY 219.A O no hydrogen 2.784 N/A ARG 213.A NH1 LYS 208.A O no hydrogen 2.865 N/A ARG 213.A NH2 GLY 219.A O no hydrogen 3.358 N/A PHE 214.A N LYS 211.A O no hydrogen 2.735 N/A ARG 215.A N LYS 211.A O no hydrogen 2.914 N/A ARG 215.A NH1 ASP 212.A OD1 no hydrogen 3.029 N/A GLN 216.A N ASP 212.A O no hydrogen 2.705 N/A SER 217.A N PHE 214.A O no hydrogen 3.515 N/A LEU 218.A N ARG 213.A O no hydrogen 2.830 N/A GLY 219.A N ARG 213.A O no hydrogen 3.286 N/A GLU 223.A N GLU 223.A OE2 no hydrogen 2.938 N/A ALA 224.A N GLY 220.A O no hydrogen 3.073 N/A TYR 225.A N LEU 221.A O no hydrogen 3.006 N/A TYR 225.A OH ASP 196.A OD1 no hydrogen 2.716 N/A GLU 226.A N ILE 222.A O no hydrogen 2.829 N/A ALA 227.A N GLU 223.A O no hydrogen 2.973 N/A VAL 228.A N ALA 224.A O no hydrogen 3.110 N/A ALA 229.A N TYR 225.A O no hydrogen 3.019 N/A ARG 230.A N GLU 226.A O no hydrogen 2.895 N/A ARG 231.A N ALA 227.A O no hydrogen 3.036 N/A ARG 231.A NH1 ALA 169.A O no hydrogen 3.475 N/A ARG 231.A NH1 ASP 202.A OD2 no hydrogen 2.830 N/A ARG 231.A NH2 ASP 202.A OD2 no hydrogen 2.978 N/A LEU 232.A N VAL 228.A O no hydrogen 3.067 N/A LEU 232.A N ALA 229.A O no hydrogen 3.162 N/A GLY 233.A N ARG 230.A O no hydrogen 3.032 N/A VAL 234.A N ALA 229.A O no hydrogen 3.019 N/A