Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG VAL 5.A O no hydrogen 2.694 N/A SER 3.A OG LEU 10.A O no hydrogen 3.388 N/A ASP 4.A N LEU 10.A O no hydrogen 2.800 N/A VAL 5.A N SER 3.A OG no hydrogen 3.230 N/A HIS 7.A N GLU 79.A OE1 no hydrogen 2.829 N/A HIS 7.A ND1 GLU 79.A OE2 no hydrogen 2.581 N/A LEU 8.A N GLU 79.A OE1 no hydrogen 3.094 N/A THR 11.A N ASP 14.A OD1 no hydrogen 3.032 N/A LYS 12.A N ASP 4.A OD2 no hydrogen 2.930 N/A ASP 14.A N THR 11.A OG1 no hydrogen 3.189 N/A LEU 15.A N LYS 12.A O no hydrogen 2.948 N/A GLN 16.A N ASN 13.A O no hydrogen 3.100 N/A GLN 16.A NE2.A ASN 13.A O no hydrogen 2.768 N/A ALA 18.A N LEU 15.A O no hydrogen 2.914 N/A ALA 21.A N THR 87.A O no hydrogen 2.855 N/A ILE 22.A N ILE 62.A O no hydrogen 2.821 N/A VAL 23.A N LEU 89.A O no hydrogen 2.750 N/A GLU 28.A N ASP 26.A OD2 no hydrogen 2.793 N/A ARG 29.A N ASP 26.A O no hydrogen 2.940 N/A ARG 29.A NE GLU 237.A OE2 no hydrogen 2.630 N/A VAL 30.A N PRO 27.A O no hydrogen 3.249 N/A LYS 32.A NZ.A GLU 28.A O no hydrogen 2.835 N/A ILE 33.A N ARG 29.A O no hydrogen 3.022 N/A ALA 34.A N VAL 30.A O no hydrogen 2.916 N/A ALA 35.A N GLU 31.A O no hydrogen 3.081 N/A ALA 35.A N LYS 32.A O no hydrogen 3.282 N/A LEU 36.A N ILE 33.A O no hydrogen 3.049 N/A MET 37.A N ALA 34.A O no hydrogen 3.049 N/A ASP 38.A N GLU 55.A O no hydrogen 2.887 N/A VAL 41.A N ARG 53.A O no hydrogen 2.818 N/A LEU 43.A N SER 51.A O no hydrogen 2.754 N/A ALA 44.A N SER 51.A O no hydrogen 3.329 N/A SER 45.A OG THR 50.A OG1 no hydrogen 3.152 N/A HIS 46.A N PHE 49.A O no hydrogen 2.980 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.757 N/A PHE 49.A N HIS 46.A O no hydrogen 2.788 N/A THR 50.A N SER 65.A OG no hydrogen 2.872 N/A THR 50.A OG1 SER 45.A OG no hydrogen 3.152 N/A SER 51.A N ALA 44.A O no hydrogen 2.900 N/A TRP 52.A N VAL 63.A O no hydrogen 2.812 N/A ARG 53.A N VAL 41.A O no hydrogen 2.907 N/A ARG 53.A NH1 ASP 14.A O no hydrogen 2.797 N/A ALA 54.A N VAL 61.A O no hydrogen 2.967 N/A GLU 55.A N ASP 38.A O no hydrogen 2.822 N/A LEU 56.A N LYS 59.A O no hydrogen 2.902 N/A LYS 59.A N LEU 56.A O no hydrogen 3.019 N/A VAL 61.A N ALA 54.A O no hydrogen 2.803 N/A ILE 62.A N LEU 20.A O no hydrogen 3.106 N/A VAL 63.A N TRP 52.A O no hydrogen 2.939 N/A CYS 64.A N ILE 22.A O no hydrogen 3.007 N/A CYS 64.A SG SER 65.A O no hydrogen 3.601 N/A SER 65.A N THR 50.A O no hydrogen 2.971 N/A SER 65.A OG GLU 48.A O no hydrogen 2.641 N/A THR 66.A N PRO 24.A O no hydrogen 2.932 N/A THR 66.A OG1 PRO 24.A O no hydrogen 3.454 N/A THR 66.A OG1 GLY 67.A O no hydrogen 2.791 N/A GLY 69.A N GLU 197.A OE2 no hydrogen 2.773 N/A SER 72.A OG THR 66.A O no hydrogen 2.724 N/A SER 72.A OG ILE 68.A O no hydrogen 3.185 N/A THR 73.A N GLY 69.A O no hydrogen 3.163 N/A THR 73.A OG1 GLY 69.A O no hydrogen 2.746 N/A SER 74.A N GLY 70.A O no hydrogen 2.759 N/A SER 74.A OG GLY 70.A O no hydrogen 3.428 N/A SER 74.A OG PRO 71.A O no hydrogen 2.704 N/A ILE 75.A N PRO 71.A O no hydrogen 3.353 N/A ALA 76.A N SER 72.A O no hydrogen 3.154 N/A VAL 77.A N THR 73.A O no hydrogen 2.911 N/A GLU 78.A N SER 74.A O no hydrogen 3.070 N/A GLU 79.A N ILE 75.A O no hydrogen 2.942 N/A LEU 80.A N ALA 76.A O no hydrogen 2.874 N/A ALA 81.A N VAL 77.A O no hydrogen 2.921 N/A GLN 82.A N GLU 78.A O no hydrogen 2.970 N/A GLN 82.A NE2 GLU 78.A OE2 no hydrogen 2.704 N/A LEU 83.A N GLU 79.A O no hydrogen 3.116 N/A GLY 84.A N LEU 80.A O no hydrogen 3.059 N/A GLY 84.A N ALA 81.A O no hydrogen 3.100 N/A ILE 85.A N LEU 80.A O no hydrogen 2.893 N/A ARG 86.A N GLN 19.A O no hydrogen 2.877 N/A ARG 86.A NH1 ALA 81.A O no hydrogen 2.941 N/A ARG 86.A NH1 ILE 85.A O no hydrogen 2.881 N/A THR 87.A N GLN 19.A O no hydrogen 3.112 N/A PHE 88.A N ARG 211.A O no hydrogen 2.750 N/A LEU 89.A N ALA 21.A O no hydrogen 2.933 N/A ARG 90.A N GLY 213.A O no hydrogen 2.938 N/A ARG 90.A NE GLU 195.A OE1 no hydrogen 3.046 N/A ARG 90.A NH2 GLU 195.A OE1 no hydrogen 3.088 N/A GLY 92.A N VAL 215.A O no hydrogen 2.948 N/A THR 94.A N GLY 217.A O no hydrogen 3.088 N/A THR 94.A OG1 GLY 95.A O no hydrogen 3.516 N/A THR 94.A OG1 TYR 194.A O no hydrogen 2.683 N/A ALA 96.A N VAL 220.A O no hydrogen 2.987 N/A ILE 97.A N MET 192.A O no hydrogen 2.880 N/A GLN 98.A NE2 GLN 187.A O no hydrogen 2.918 N/A GLN 98.A NE2 VAL 191.A O no hydrogen 2.948 N/A ILE 101.A N GLN 98.A O no hydrogen 3.175 N/A ASN 102.A N ASP 105.A OD1 no hydrogen 3.035 N/A ASN 102.A ND2 GLN 224.A OE1 no hydrogen 3.628 N/A GLY 104.A N VAL 218.A O no hydrogen 3.035 N/A ASP 105.A N ASN 102.A O no hydrogen 2.899 N/A VAL 106.A N THR 149.A O no hydrogen 2.908 N/A LEU 107.A N ALA 216.A O no hydrogen 2.778 N/A VAL 108.A N HIS 151.A O no hydrogen 2.852 N/A THR 109.A N MET 214.A O no hydrogen 3.126 N/A THR 109.A OG1 THR 155.A OG1 no hydrogen 2.722 N/A THR 110.A N GLY 153.A O no hydrogen 2.883 N/A SER 112.A N ALA 129.A O no hydrogen 2.849 N/A SER 112.A OG SER 198.A OG no hydrogen 2.631 N/A VAL 113.A N THR 155.A O no hydrogen 2.768 N/A ARG 114.A NE SER 119.A OG no hydrogen 2.823 N/A ARG 114.A NH1 PRO 124.A O no hydrogen 2.909 N/A ARG 114.A NH1 PHE 127.A O no hydrogen 2.785 N/A ARG 114.A NH2 SER 119.A OG no hydrogen 3.000 N/A ARG 114.A NH2 ALA 123.A O no hydrogen 2.829 N/A LEU 115.A N VAL 113.A O no hydrogen 3.102 N/A LEU 115.A N SER 157.A O no hydrogen 2.892 N/A SER 119.A N ASP 116.A OD1 no hydrogen 2.890 N/A SER 119.A OG ASP 116.A OD1 no hydrogen 3.224 N/A SER 119.A OG ASP 116.A OD2 no hydrogen 2.724 N/A LEU 120.A N GLY 117.A O no hydrogen 3.154 N/A HIS 121.A N ALA 118.A O no hydrogen 2.905 N/A PHE 122.A N SER 119.A O no hydrogen 2.945 N/A ALA 123.A N SER 119.A O no hydrogen 3.111 N/A GLU 126.A N GLU 126.A OE1.A no hydrogen 2.746 N/A GLU 126.A N GLU 126.A OE1.B no hydrogen 2.863 N/A PHE 127.A N PRO 124.A O no hydrogen 3.066 N/A ALA 131.A N THR 110.A O no hydrogen 2.867 N/A ASP 132.A N ALA 212.A O no hydrogen 2.896 N/A CYS 135.A N ASP 132.A OD1 no hydrogen 3.037 N/A CYS 135.A SG ASP 132.A OD1 no hydrogen 3.568 N/A THR 136.A N ASP 132.A O no hydrogen 3.101 N/A THR 136.A OG1 ASP 132.A O no hydrogen 2.965 N/A THR 137.A N PHE 133.A O no hydrogen 2.895 N/A THR 137.A OG1 PHE 133.A O no hydrogen 2.787 N/A ALA 138.A N ALA 134.A O no hydrogen 2.834 N/A LEU 139.A N CYS 135.A O no hydrogen 2.920 N/A VAL 140.A N THR 136.A O no hydrogen 2.995 N/A GLU 141.A N THR 137.A O no hydrogen 2.964 N/A ALA 142.A N ALA 138.A O no hydrogen 2.965 N/A ALA 143.A N LEU 139.A O no hydrogen 2.995 N/A LYS 144.A N VAL 140.A O no hydrogen 3.196 N/A LYS 144.A NZ GLU 141.A OE2.B no hydrogen 2.874 N/A SER 145.A N GLU 141.A O no hydrogen 2.951 N/A SER 145.A OG GLU 141.A O no hydrogen 3.227 N/A ILE 146.A N ALA 142.A O no hydrogen 2.892 N/A GLY 147.A N ALA 143.A O no hydrogen 2.859 N/A THR 150.A OG1.A ALA 148.A O no hydrogen 3.534 N/A THR 150.A OG1.B VAL 106.A O no hydrogen 3.274 N/A HIS 151.A N VAL 106.A O no hydrogen 3.002 N/A HIS 151.A NE2 ASP 105.A OD1 no hydrogen 2.789 N/A GLY 153.A N VAL 108.A O no hydrogen 3.067 N/A THR 155.A N ALA 111.A O no hydrogen 3.166 N/A THR 155.A OG1 THR 109.A OG1 no hydrogen 2.722 N/A THR 155.A OG1 ASN 193.A OD1 no hydrogen 2.770 N/A ALA 156.A N ASN 193.A O no hydrogen 2.845 N/A SER 157.A N VAL 113.A O no hydrogen 2.972 N/A SER 157.A OG GLU 195.A OE2 no hydrogen 2.797 N/A SER 158.A N GLU 195.A O no hydrogen 2.900 N/A SER 158.A OG THR 160.A O no hydrogen 2.688 N/A ASP 159.A N LEU 115.A O no hydrogen 3.012 N/A THR 160.A N SER 158.A OG no hydrogen 3.048 N/A GLY 164.A N THR 160.A OG1 no hydrogen 2.764 N/A GLN 165.A N TYR 162.A O no hydrogen 3.165 N/A GLN 165.A NE2 THR 160.A O no hydrogen 3.173 N/A GLU 166.A N PRO 163.A O no hydrogen 2.829 N/A ARG 167.A N TYR 162.A O no hydrogen 2.916 N/A ARG 167.A NH1 PHE 161.A O no hydrogen 2.825 N/A ARG 167.A NH1 GLN 165.A OE1 no hydrogen 2.894 N/A TYR 168.A OH GLU 166.A OE1 no hydrogen 2.675 N/A THR 170.A N TYR 168.A O no hydrogen 2.833 N/A GLY 173.A N THR 170.A OG1 no hydrogen 2.903 N/A ARG 174.A N SER 172.A OG no hydrogen 3.210 N/A PHE 179.A N VAL 176.A O no hydrogen 2.850 N/A LYS 180.A N VAL 176.A O no hydrogen 3.173 N/A LYS 180.A N ARG 177.A O no hydrogen 3.160 N/A LYS 180.A NZ.A TYR 168.A OH no hydrogen 3.328 N/A LYS 180.A NZ.B VAL 175.A O no hydrogen 2.804 N/A GLY 181.A N GLU 166.A OE1 no hydrogen 2.829 N/A SER 182.A N PHE 179.A O no hydrogen 3.111 N/A SER 182.A OG PHE 179.A O no hydrogen 2.660 N/A MET 183.A N GLU 166.A OE2 no hydrogen 2.878 N/A GLU 185.A N GLY 181.A O no hydrogen 3.378 N/A TRP 186.A N SER 182.A O no hydrogen 2.917 N/A GLN 187.A N MET 183.A O no hydrogen 2.923 N/A GLN 187.A NE2.A ILE 97.A O no hydrogen 2.718 N/A GLN 187.A NE2.B ILE 97.A O no hydrogen 3.376 N/A ALA 188.A N GLU 184.A O no hydrogen 3.040 N/A MET 189.A N GLU 185.A O no hydrogen 3.138 N/A MET 189.A N TRP 186.A O no hydrogen 3.082 N/A GLY 190.A N GLN 187.A O no hydrogen 3.076 N/A VAL 191.A N TRP 186.A O no hydrogen 3.044 N/A MET 192.A N VAL 154.A O no hydrogen 2.871 N/A ASN 193.A ND2 THR 94.A OG1 no hydrogen 2.666 N/A TYR 194.A N GLY 95.A O no hydrogen 3.082 N/A GLU 195.A N ALA 156.A O no hydrogen 3.051 N/A GLU 197.A N GLU 195.A OE1 no hydrogen 2.971 N/A SER 198.A N GLU 195.A OE1 no hydrogen 3.081 N/A SER 198.A N GLU 195.A OE2 no hydrogen 2.924 N/A SER 198.A OG SER 112.A OG no hydrogen 2.631 N/A SER 198.A OG GLU 195.A OE2 no hydrogen 2.573 N/A ALA 199.A N SER 157.A OG no hydrogen 2.907 N/A THR 200.A OG1 ASP 116.A OD1 no hydrogen 2.751 N/A LEU 201.A N GLU 197.A O no hydrogen 3.056 N/A LEU 202.A N SER 198.A O no hydrogen 2.769 N/A THR 203.A N ALA 199.A O no hydrogen 3.048 N/A THR 203.A OG1 ALA 199.A O no hydrogen 2.811 N/A MET 204.A N THR 200.A O no hydrogen 2.926 N/A CYS 205.A N LEU 201.A O no hydrogen 3.067 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.446 N/A ALA 206.A N LEU 202.A O no hydrogen 2.908 N/A SER 207.A N THR 203.A O no hydrogen 3.089 N/A SER 207.A OG THR 203.A O no hydrogen 2.848 N/A SER 207.A OG MET 204.A O no hydrogen 3.522 N/A GLN 208.A N CYS 205.A O no hydrogen 3.061 N/A GLN 208.A NE2.A MET 204.A O no hydrogen 2.875 N/A LEU 210.A N CYS 205.A O no hydrogen 3.031 N/A ARG 211.A N ARG 86.A O no hydrogen 2.969 N/A ARG 211.A NE THR 87.A OG1 no hydrogen 3.144 N/A ARG 211.A NH2 THR 87.A OG1 no hydrogen 3.006 N/A ARG 211.A NH2 LEU 251.A O no hydrogen 3.252 N/A GLY 213.A N PHE 88.A O no hydrogen 2.933 N/A VAL 215.A N ARG 90.A O no hydrogen 2.998 N/A ALA 216.A N LEU 107.A O no hydrogen 2.945 N/A GLY 217.A N GLY 92.A O no hydrogen 3.162 N/A VAL 218.A N ASP 105.A O no hydrogen 2.985 N/A ILE 219.A N THR 94.A O no hydrogen 3.142 N/A ASN 221.A ND2 GLN 98.A O no hydrogen 2.844 N/A ASN 221.A ND2 ILE 101.A O no hydrogen 2.728 N/A ARG 222.A N ALA 96.A O no hydrogen 2.944 N/A ARG 222.A NH1 GLN 165.A O no hydrogen 2.849 N/A ARG 222.A NH2 GLN 165.A O no hydrogen 3.056 N/A ARG 222.A NH2 GLU 166.A O no hydrogen 3.266 N/A THR 223.A N ASN 221.A OD1 no hydrogen 2.762 N/A THR 223.A OG1 ASN 221.A OD1 no hydrogen 2.682 N/A GLN 224.A N ASN 221.A O no hydrogen 3.171 N/A THR 232.A N ASN 229.A OD1 no hydrogen 2.775 N/A MET 233.A N ASN 229.A O no hydrogen 3.211 N/A LYS 234.A N GLU 231.A O no hydrogen 2.972 N/A THR 236.A OG1.A MET 233.A O no hydrogen 2.656 N/A THR 236.A OG1.B THR 232.A O no hydrogen 3.444 N/A GLU 237.A N MET 233.A O no hydrogen 3.291 N/A SER 238.A N LYS 234.A O no hydrogen 3.058 N/A SER 238.A OG LYS 234.A O no hydrogen 2.937 N/A HIS 239.A N GLN 235.A O no hydrogen 3.060 N/A ALA 240.A N THR 236.A O no hydrogen 3.090 N/A VAL 241.A N GLU 237.A O no hydrogen 2.809 N/A LYS 242.A N SER 238.A O no hydrogen 3.016 N/A ILE 243.A N HIS 239.A O no hydrogen 3.180 N/A VAL 244.A N ALA 240.A O no hydrogen 2.940 N/A VAL 245.A N VAL 241.A O no hydrogen 3.156 N/A GLU 246.A N LYS 242.A O no hydrogen 2.998 N/A ALA 247.A N ILE 243.A O no hydrogen 2.824 N/A ALA 248.A N VAL 244.A O no hydrogen 2.970 N/A ARG 249.A N VAL 245.A O no hydrogen 3.259 N/A ARG 249.A NE ASP 57.A OD1 no hydrogen 2.892 N/A ARG 249.A NH1 GLU 246.A OE1 no hydrogen 3.026 N/A ARG 249.A NH2 ASP 57.A OD2 no hydrogen 3.302 N/A ARG 250.A N ALA 247.A O no hydrogen 3.019 N/A ARG 250.A NE.B GLU 246.A O no hydrogen 3.342 N/A ARG 250.A NH1.A GLU 246.A O no hydrogen 3.299 N/A ARG 250.A NH1.A GLU 246.A OE2 no hydrogen 2.778 N/A ARG 250.A NH2.A SER 145.A OG no hydrogen 2.855 N/A LEU 251.A N ALA 248.A O no hydrogen 2.949 N/A