Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cnq_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG HIS 215.A NE2 no hydrogen 3.131 N/A TYR 4.A OH VAL 192.A O no hydrogen 2.701 N/A VAL 6.A N SER 3.A O no hydrogen 3.186 N/A GLN 8.A N TYR 4.A O no hydrogen 3.226 N/A GLN 8.A NE2 ASP 170.A O no hydrogen 3.042 N/A GLN 8.A NE2 ASN 173.A OD1 no hydrogen 2.657 N/A ILE 9.A N GLY 5.A O no hydrogen 3.178 N/A LYS 10.A N ALA 7.A O no hydrogen 2.985 N/A ALA 11.A N VAL 6.A O no hydrogen 3.180 N/A ALA 13.A N LYS 10.A O no hydrogen 3.034 N/A LEU 14.A N ALA 11.A O no hydrogen 2.993 N/A HIS 15.A N ALA 11.A O no hydrogen 3.307 N/A HIS 15.A NE2 VAL 73.A O no hydrogen 2.701 N/A SER 16.A N PRO 12.A O no hydrogen 2.812 N/A SER 16.A OG PRO 12.A O no hydrogen 3.112 N/A GLN 17.A N ALA 13.A O no hydrogen 3.441 N/A GLY 18.A N HIS 15.A O no hydrogen 2.895 N/A TYR 19.A N LEU 14.A O no hydrogen 3.061 N/A THR 20.A OG1 SER 76.A OG no hydrogen 2.794 N/A GLY 21.A N SER 225.A OG no hydrogen 3.125 N/A VAL 24.A N GLY 21.A O no hydrogen 3.208 N/A LYS 25.A N ASP 109.A OD2 no hydrogen 2.783 N/A VAL 26.A N SER 78.A O no hydrogen 2.851 N/A ALA 27.A N VAL 110.A O no hydrogen 2.804 N/A VAL 28.A N TYR 80.A O no hydrogen 2.860 N/A LEU 29.A N ASN 112.A O no hydrogen 3.090 N/A ALA 30.A N VAL 82.A O no hydrogen 2.992 N/A SER 31.A OG ASP 58.A OD1 no hydrogen 2.648 N/A ILE 33.A N PRO 55.A O no hydrogen 2.989 N/A ASP 34.A N THR 64.A OG1 no hydrogen 2.941 N/A SER 35.A N PHE 56.A O no hydrogen 2.950 N/A SER 35.A OG PHE 56.A O no hydrogen 3.342 N/A SER 36.A N ASP 34.A OD2 no hydrogen 3.207 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 2.524 N/A HIS 37.A NE2 LYS 202.A O no hydrogen 2.750 N/A ALA 43.A N LEU 79.A O no hydrogen 2.756 N/A ALA 46.A N ALA 81.A O no hydrogen 2.911 N/A SER 47.A OG GLU 52.A O no hydrogen 2.591 N/A PHE 48.A N LYS 83.A O no hydrogen 2.756 N/A VAL 49.A N SER 47.A OG no hydrogen 3.250 N/A GLU 52.A N VAL 49.A O no hydrogen 2.993 N/A PHE 56.A N ASN 54.A OD1 no hydrogen 2.904 N/A GLN 57.A N ASN 54.A O no hydrogen 3.305 N/A GLN 57.A NE2 ASN 59.A OD1 no hydrogen 2.715 N/A ASP 58.A N ASP 34.A OD1 no hydrogen 2.992 N/A ASN 59.A ND2 GLU 52.A OE1 no hydrogen 3.196 N/A ASN 60.A N ASP 58.A OD1 no hydrogen 2.968 N/A ASN 60.A ND2 ALA 87.A O no hydrogen 3.014 N/A SER 61.A N ASP 58.A OD1 no hydrogen 2.917 N/A SER 61.A OG ASN 60.A O no hydrogen 2.667 N/A HIS 62.A N ASN 60.A OD1 no hydrogen 2.998 N/A GLY 63.A N SER 31.A OG no hydrogen 3.075 N/A THR 64.A N ASP 58.A OD2 no hydrogen 2.955 N/A THR 64.A OG1 ASP 58.A OD2 no hydrogen 2.701 N/A HIS 65.A N SER 61.A O no hydrogen 3.188 N/A HIS 65.A NE2 GLY 204.A O no hydrogen 2.969 N/A VAL 66.A N HIS 62.A O no hydrogen 2.947 N/A ALA 67.A N GLY 63.A O no hydrogen 2.928 N/A GLY 68.A N THR 64.A O no hydrogen 2.981 N/A THR 69.A N HIS 65.A O no hydrogen 3.159 N/A THR 69.A OG1 HIS 65.A O no hydrogen 3.264 N/A VAL 70.A N VAL 66.A O no hydrogen 3.008 N/A LEU 71.A N ALA 67.A O no hydrogen 3.115 N/A ALA 72.A N GLY 68.A O no hydrogen 2.874 N/A VAL 73.A N THR 69.A O no hydrogen 3.072 N/A ALA 74.A N VAL 70.A O no hydrogen 2.839 N/A SER 76.A N THR 20.A O no hydrogen 2.908 N/A SER 76.A OG THR 20.A OG1 no hydrogen 2.794 N/A ALA 77.A N ALA 74.A O no hydrogen 3.088 N/A SER 78.A N VAL 24.A O no hydrogen 2.774 N/A TYR 80.A N VAL 26.A O no hydrogen 2.844 N/A ALA 81.A N GLY 44.A O no hydrogen 2.920 N/A VAL 82.A N VAL 28.A O no hydrogen 2.979 N/A LYS 83.A N ALA 46.A O no hydrogen 2.959 N/A LYS 83.A NZ GLU 52.A OE1 no hydrogen 3.066 N/A LYS 83.A NZ ASN 54.A O no hydrogen 3.081 N/A LYS 83.A NZ GLN 57.A O no hydrogen 2.738 N/A VAL 84.A N ALA 30.A O no hydrogen 2.819 N/A LEU 85.A N ALA 30.A O no hydrogen 3.084 N/A GLY 86.A N SER 90.A O no hydrogen 2.924 N/A ALA 87.A N GLU 52.A OE2 no hydrogen 2.778 N/A GLY 89.A N GLY 86.A O no hydrogen 2.822 N/A SER 90.A N ASP 88.A OD1 no hydrogen 2.912 N/A SER 90.A OG ASP 88.A OD1 no hydrogen 2.903 N/A SER 90.A OG ASP 88.A OD2 no hydrogen 3.291 N/A ILE 96.A N GLN 92.A O no hydrogen 3.210 N/A ILE 97.A N ALA 93.A O no hydrogen 2.851 N/A ASN 98.A N SER 94.A O no hydrogen 2.889 N/A GLY 99.A N TRP 95.A O no hydrogen 3.000 N/A ILE 100.A N ILE 96.A O no hydrogen 2.917 N/A GLU 101.A N ILE 97.A O no hydrogen 2.867 N/A TRP 102.A N ASN 98.A O no hydrogen 2.876 N/A ALA 103.A N GLY 99.A O no hydrogen 2.894 N/A ILE 104.A N ILE 100.A O no hydrogen 2.949 N/A ALA 105.A N GLU 101.A O no hydrogen 3.015 N/A ASN 106.A N TRP 102.A O no hydrogen 2.964 N/A ASN 106.A ND2 TRP 102.A O no hydrogen 2.990 N/A ASN 107.A N ILE 104.A O no hydrogen 3.040 N/A MET 108.A N ALA 103.A O no hydrogen 2.955 N/A ASP 109.A N LYS 25.A O no hydrogen 2.782 N/A VAL 110.A N LYS 25.A O no hydrogen 3.138 N/A ILE 111.A N VAL 137.A O no hydrogen 2.854 N/A ASN 112.A N ALA 27.A O no hydrogen 2.854 N/A ASN 112.A ND2 SER 114.A OG no hydrogen 2.953 N/A MET 113.A N VAL 139.A O no hydrogen 2.839 N/A SER 114.A OG ALA 210.A O no hydrogen 2.768 N/A SER 117.A N TYR 156.A O no hydrogen 2.881 N/A SER 117.A OG SER 119.A O no hydrogen 3.240 N/A SER 121.A N TYR 160.A OH no hydrogen 2.897 N/A LEU 124.A N SER 121.A OG no hydrogen 2.906 N/A LYS 125.A N SER 121.A O no hydrogen 2.861 N/A LYS 125.A NZ ASP 129.A OD2 no hydrogen 2.883 N/A ALA 126.A N ALA 122.A O no hydrogen 2.922 N/A ALA 127.A N ALA 123.A O no hydrogen 3.004 N/A VAL 128.A N LEU 124.A O no hydrogen 2.971 N/A ASP 129.A N LYS 125.A O no hydrogen 2.930 N/A LYS 130.A N ALA 126.A O no hydrogen 2.840 N/A ALA 131.A N ALA 127.A O no hydrogen 2.903 N/A VAL 132.A N VAL 128.A O no hydrogen 3.008 N/A ALA 133.A N ASP 129.A O no hydrogen 2.815 N/A SER 134.A N LYS 130.A O no hydrogen 2.964 N/A SER 134.A N ALA 131.A O no hydrogen 3.272 N/A SER 134.A OG LYS 130.A O no hydrogen 3.095 N/A GLY 135.A N VAL 132.A O no hydrogen 2.980 N/A VAL 136.A N ALA 131.A O no hydrogen 3.075 N/A VAL 137.A N ASP 109.A O no hydrogen 2.904 N/A VAL 139.A N ILE 111.A O no hydrogen 2.932 N/A ALA 140.A N ILE 164.A O no hydrogen 2.827 N/A ALA 141.A N MET 113.A O no hydrogen 3.118 N/A ALA 142.A N VAL 166.A O no hydrogen 2.805 N/A GLY 143.A N THR 209.A OG1 no hydrogen 3.106 N/A SER 145.A N SER 180.A OG no hydrogen 3.004 N/A GLY 146.A N PHE 178.A O no hydrogen 2.886 N/A SER 151.A N SER 148.A O no hydrogen 2.934 N/A SER 152.A OG VAL 181.A O no hydrogen 3.526 N/A SER 152.A OG GLU 184.A OE1 no hydrogen 2.658 N/A THR 153.A N VAL 181.A O no hydrogen 2.784 N/A THR 153.A OG1 GLY 146.A O no hydrogen 2.682 N/A THR 153.A OG1 VAL 181.A O no hydrogen 3.539 N/A VAL 154.A N SER 152.A OG no hydrogen 3.273 N/A SER 155.A N ALA 142.A O no hydrogen 2.916 N/A SER 155.A OG ALA 142.A O no hydrogen 3.177 N/A TYR 156.A N SER 117.A O no hydrogen 2.807 N/A LYS 159.A N SER 155.A O no hydrogen 2.757 N/A TYR 160.A N PRO 157.A O no hydrogen 3.081 N/A SER 162.A OG ASP 129.A OD1 no hydrogen 2.792 N/A VAL 163.A N TYR 160.A O no hydrogen 3.048 N/A ILE 164.A N VAL 138.A O no hydrogen 2.939 N/A ALA 165.A N ASP 186.A OD2 no hydrogen 2.779 N/A VAL 166.A N ALA 140.A O no hydrogen 2.947 N/A GLY 167.A N VAL 187.A O no hydrogen 2.880 N/A ALA 168.A N SER 179.A OG no hydrogen 3.009 N/A VAL 169.A N ALA 189.A O no hydrogen 2.992 N/A ASP 170.A N GLN 174.A O no hydrogen 2.836 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.826 N/A ASN 173.A N ASP 170.A O no hydrogen 2.974 N/A GLN 174.A N ASP 170.A OD1 no hydrogen 3.007 N/A ARG 175.A N TYR 252.A OH no hydrogen 2.944 N/A ARG 175.A NE SER 179.A O no hydrogen 3.236 N/A ARG 175.A NH2 PRO 177.A O no hydrogen 3.089 N/A ARG 175.A NH2 SER 179.A O no hydrogen 2.738 N/A ALA 176.A N ALA 168.A O no hydrogen 2.905 N/A SER 179.A N ALA 176.A O no hydrogen 2.906 N/A SER 180.A N GLY 143.A O no hydrogen 2.947 N/A SER 180.A OG THR 153.A O no hydrogen 2.808 N/A VAL 181.A N THR 153.A OG1 no hydrogen 2.985 N/A GLY 182.A N PHE 250.A O no hydrogen 2.917 N/A LEU 185.A N GLY 182.A O no hydrogen 3.162 N/A ASP 186.A N ALA 165.A O no hydrogen 3.020 N/A VAL 187.A N ALA 165.A O no hydrogen 3.313 N/A MET 188.A N GLY 255.A O no hydrogen 2.803 N/A ALA 189.A N GLY 167.A O no hydrogen 2.975 N/A GLY 191.A N VAL 169.A O no hydrogen 2.912 N/A SER 193.A N SER 207.A OG no hydrogen 2.845 N/A ILE 194.A N LEU 206.A O no hydrogen 2.781 N/A SER 196.A N GLY 204.A O no hydrogen 3.000 N/A SER 196.A OG HIS 65.A O no hydrogen 2.778 N/A THR 197.A N SER 196.A OG no hydrogen 2.690 N/A THR 197.A OG1 THR 64.A O no hydrogen 2.834 N/A LEU 198.A N LYS 202.A O no hydrogen 2.806 N/A GLY 200.A N SER 36.A OG no hydrogen 2.819 N/A GLY 201.A N SER 36.A OG no hydrogen 3.226 N/A LYS 202.A N LEU 198.A O no hydrogen 3.224 N/A TYR 203.A OH ASP 39.A OD1 no hydrogen 2.883 N/A GLY 204.A N SER 196.A O no hydrogen 2.924 N/A LEU 206.A N ILE 194.A O no hydrogen 3.086 N/A GLY 208.A N GLY 191.A O no hydrogen 2.862 N/A THR 209.A N ASN 144.A OD1 no hydrogen 2.959 N/A THR 209.A OG1 ASN 144.A OD1 no hydrogen 2.882 N/A MET 211.A N GLY 208.A O no hydrogen 2.925 N/A ALA 212.A N THR 209.A O no hydrogen 3.123 N/A SER 213.A N THR 209.A O no hydrogen 3.063 N/A SER 213.A OG ASN 112.A OD1 no hydrogen 2.620 N/A HIS 215.A N ALA 212.A O no hydrogen 2.944 N/A HIS 215.A ND1 MET 211.A O no hydrogen 2.844 N/A HIS 215.A NE2 SER 3.A OG no hydrogen 3.131 N/A ALA 217.A N SER 213.A O no hydrogen 2.930 N/A GLY 218.A N PRO 214.A O no hydrogen 2.862 N/A ALA 219.A N HIS 215.A O no hydrogen 2.897 N/A ALA 220.A N VAL 216.A O no hydrogen 2.864 N/A ALA 221.A N ALA 217.A O no hydrogen 2.992 N/A LEU 222.A N GLY 218.A O no hydrogen 2.890 N/A ILE 223.A N ALA 219.A O no hydrogen 2.969 N/A LEU 224.A N ALA 220.A O no hydrogen 2.930 N/A SER 225.A N ALA 221.A O no hydrogen 2.978 N/A SER 225.A OG ALA 221.A O no hydrogen 3.554 N/A SER 225.A OG LEU 222.A O no hydrogen 2.802 N/A LYS 226.A N LEU 222.A O no hydrogen 3.151 N/A LYS 226.A NZ GLN 17.A OE1 no hydrogen 2.833 N/A LYS 226.A NZ ALA 263.A O no hydrogen 2.905 N/A HIS 227.A N ILE 223.A O no hydrogen 2.744 N/A HIS 227.A NE2 ALA 263.A O no hydrogen 3.016 N/A HIS 227.A NE2 GLN 264.A OXT no hydrogen 3.105 N/A TRP 230.A N HIS 227.A O no hydrogen 3.153 N/A THR 231.A N GLN 234.A OE1 no hydrogen 2.941 N/A ASN 232.A ND2 VAL 132.A O no hydrogen 2.887 N/A ASN 232.A ND2 VAL 136.A O no hydrogen 2.912 N/A THR 233.A N ASN 232.A OD1 no hydrogen 2.979 N/A THR 233.A OG1 ASN 232.A OD1 no hydrogen 3.551 N/A GLN 234.A N THR 231.A OG1 no hydrogen 3.059 N/A VAL 235.A N THR 231.A O no hydrogen 2.918 N/A ARG 236.A N ASN 232.A O no hydrogen 2.882 N/A ARG 236.A NE GLU 240.A OE2 no hydrogen 2.837 N/A ARG 236.A NH1 PRO 161.A O no hydrogen 2.904 N/A ARG 236.A NH2 PRO 161.A O no hydrogen 3.433 N/A ARG 236.A NH2 ASP 186.A OD1 no hydrogen 3.475 N/A ARG 236.A NH2 GLU 240.A OE2 no hydrogen 3.387 N/A SER 237.A N THR 233.A O no hydrogen 2.857 N/A SER 237.A OG THR 233.A O no hydrogen 3.070 N/A SER 238.A N GLN 234.A O no hydrogen 2.876 N/A SER 238.A OG VAL 235.A O no hydrogen 2.866 N/A SER 238.A OG ALA 262.A O no hydrogen 3.520 N/A LEU 239.A N VAL 235.A O no hydrogen 3.049 N/A GLU 240.A N ARG 236.A O no hydrogen 2.924 N/A ASN 241.A N SER 237.A O no hydrogen 2.771 N/A THR 242.A N SER 238.A O no hydrogen 3.214 N/A THR 242.A OG1 SER 238.A O no hydrogen 2.657 N/A ALA 243.A N GLU 240.A O no hydrogen 3.381 N/A THR 244.A N LEU 256.A O no hydrogen 2.824 N/A PHE 250.A N ASP 248.A OD1 no hydrogen 3.133 N/A TYR 251.A N ASP 248.A O no hydrogen 2.879 N/A TYR 252.A N ASP 248.A O no hydrogen 3.008 N/A GLY 253.A N SER 249.A O no hydrogen 2.851 N/A LYS 254.A N ASP 186.A O no hydrogen 2.771 N/A LYS 254.A NZ GLU 240.A OE1 no hydrogen 3.456 N/A GLY 255.A N TYR 252.A O no hydrogen 2.906 N/A LEU 256.A N THR 244.A O no hydrogen 2.855 N/A ILE 257.A N MET 188.A O no hydrogen 3.213 N/A VAL 259.A N ILE 9.A O no hydrogen 2.913 N/A ALA 261.A N ASN 258.A OD1 no hydrogen 3.038 N/A ALA 262.A N ASN 258.A O no hydrogen 2.966 N/A ALA 263.A N VAL 259.A O no hydrogen 3.020 N/A GLN 264.A N ALA 261.A O no hydrogen 3.451 N/A GLN 264.A NE2 ALA 262.A O no hydrogen 3.202 N/A