Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8f2e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N THR 2.A O no hydrogen 2.821 N/A TYR 7.A N ILE 87.A O no hydrogen 2.967 N/A VAL 9.A N LEU 89.A O no hydrogen 2.880 N/A ASP 10.A N TYR 22.A O no hydrogen 2.778 N/A THR 13.A N HIS 20.A O no hydrogen 3.205 N/A THR 13.A OG1 TYR 22.A OH no hydrogen 3.147 N/A LYS 15.A N SER 18.A O no hydrogen 3.111 N/A SER 18.A N LYS 15.A O no hydrogen 3.373 N/A ILE 19.A N HIS 34.A O no hydrogen 2.819 N/A HIS 20.A N THR 13.A O no hydrogen 2.860 N/A HIS 20.A ND1 TYR 22.A OH no hydrogen 3.172 N/A LEU 21.A N GLU 32.A O no hydrogen 3.078 N/A TYR 22.A N SER 11.A O no hydrogen 3.012 N/A TYR 22.A OH THR 13.A OG1 no hydrogen 3.147 N/A PHE 23.A N THR 30.A O no hydrogen 2.928 N/A LYS 25.A N GLN 28.A O no hydrogen 2.967 N/A GLY 27.A N ASP 24.A OD2 no hydrogen 3.268 N/A GLN 28.A N LYS 25.A O no hydrogen 2.907 N/A THR 30.A N PHE 23.A O no hydrogen 2.819 N/A THR 30.A OG1 GLN 28.A O no hydrogen 3.033 N/A GLU 32.A N LEU 21.A O no hydrogen 3.339 N/A ARG 33.A NE SER 18.A OG no hydrogen 3.114 N/A ARG 33.A NH2 SER 18.A OG no hydrogen 3.109 N/A ARG 33.A NH2 HIS 177.A O no hydrogen 2.729 N/A HIS 34.A N ILE 19.A O no hydrogen 3.143 N/A SER 35.A OG SER 37.A OG no hydrogen 3.231 N/A SER 35.A OG GLN 178.A OE1 no hydrogen 2.933 N/A LEU 36.A N GLY 17.A O no hydrogen 2.840 N/A SER 37.A N SER 35.A OG no hydrogen 3.394 N/A SER 37.A OG SER 35.A OG no hydrogen 3.231 N/A SER 37.A OG GLN 178.A OE1 no hydrogen 3.057 N/A PHE 39.A N LEU 36.A O no hydrogen 2.925 N/A VAL 40.A N SER 37.A O no hydrogen 3.465 N/A LEU 45.A N LEU 42.A O no hydrogen 2.899 N/A ARG 46.A N ASP 43.A O no hydrogen 3.271 N/A ARG 46.A NE ASP 43.A OD1 no hydrogen 3.356 N/A ARG 46.A NH1 GLN 92.A OE1 no hydrogen 3.146 N/A ARG 46.A NH2 GLN 92.A OE1 no hydrogen 3.020 N/A ASN 49.A N ASN 48.A OD1 no hydrogen 2.843 N/A ASN 49.A ND2 ASN 44.A O no hydrogen 3.379 N/A ASN 57.A ND2 GLU 32.A OE1 no hydrogen 2.852 N/A ASN 57.A ND2 PRO 86.A O no hydrogen 2.885 N/A ILE 59.A N LEU 88.A O no hydrogen 2.926 N/A VAL 60.A N LEU 45.A O no hydrogen 2.809 N/A PHE 61.A N LEU 90.A O no hydrogen 3.020 N/A ASP 62.A N GLU 68.A OE1 no hydrogen 3.032 N/A GLY 63.A N ASP 91.A OD1 no hydrogen 2.954 N/A LYS 64.A N ASP 62.A OD1 no hydrogen 3.306 N/A SER 65.A N ASP 62.A O no hydrogen 2.929 N/A CYS 67.A SG SER 65.A OG no hydrogen 3.246 N/A SER 70.A N LYS 66.A O no hydrogen 3.243 N/A SER 70.A OG CYS 67.A O no hydrogen 3.015 N/A SER 71.A N CYS 67.A O no hydrogen 2.791 N/A SER 71.A OG CYS 67.A O no hydrogen 2.714 N/A ALA 72.A N GLU 68.A O no hydrogen 3.109 N/A LYS 73.A N GLU 69.A O no hydrogen 3.007 N/A SER 74.A N SER 70.A O no hydrogen 2.945 N/A SER 74.A OG SER 70.A O no hydrogen 3.388 N/A ALA 75.A N SER 71.A O no hydrogen 2.791 N/A SER 76.A N ALA 72.A O no hydrogen 2.976 N/A SER 76.A OG ALA 72.A O no hydrogen 3.207 N/A SER 76.A OG LYS 73.A O no hydrogen 2.630 N/A VAL 77.A N SER 74.A O no hydrogen 2.959 N/A TYR 78.A N ALA 75.A O no hydrogen 3.099 N/A TYR 79.A N ALA 75.A O no hydrogen 3.040 N/A SER 80.A N SER 76.A O no hydrogen 2.967 N/A SER 80.A OG SER 5.A O no hydrogen 3.521 N/A SER 80.A OG GLN 85.A O no hydrogen 3.392 N/A GLN 81.A N TYR 78.A O no hydrogen 3.070 N/A LEU 82.A N TYR 78.A O no hydrogen 3.058 N/A MET 83.A N TYR 79.A O no hydrogen 2.755 N/A CYS 84.A SG GLN 81.A O no hydrogen 3.569 N/A GLN 85.A N SER 80.A O no hydrogen 3.206 N/A ILE 87.A N SER 5.A O no hydrogen 2.820 N/A LEU 88.A N ASN 57.A O no hydrogen 3.072 N/A LEU 89.A N TYR 7.A O no hydrogen 2.779 N/A LEU 90.A N ILE 59.A O no hydrogen 2.860 N/A GLN 92.A N PHE 61.A O no hydrogen 2.809 N/A ALA 93.A N ASP 91.A OD1 no hydrogen 3.241 N/A LEU 94.A N ASP 91.A O no hydrogen 3.194 N/A VAL 95.A N GLN 92.A O no hydrogen 3.339 N/A SER 96.A OG ALA 93.A O no hydrogen 3.140 N/A SER 96.A OG ASP 97.A OD2 no hydrogen 3.047 N/A GLU 103.A N ASP 100.A O no hydrogen 3.099 N/A ALA 105.A N SER 101.A O no hydrogen 2.681 N/A VAL 106.A N ALA 102.A O no hydrogen 2.735 N/A MET 108.A N VAL 104.A O no hydrogen 2.976 N/A PHE 109.A N ALA 105.A O no hydrogen 2.904 N/A ASP 110.A N VAL 106.A O no hydrogen 3.092 N/A ALA 111.A N LYS 107.A O no hydrogen 3.286 N/A TYR 112.A N MET 108.A O no hydrogen 2.941 N/A VAL 113.A N PHE 109.A O no hydrogen 2.916 N/A ASN 114.A N ASP 110.A O no hydrogen 3.303 N/A ASN 114.A ND2 ASP 110.A O no hydrogen 3.408 N/A THR 115.A N ALA 111.A O no hydrogen 3.203 N/A THR 115.A OG1 ALA 111.A O no hydrogen 3.233 N/A PHE 116.A N TYR 112.A O no hydrogen 2.898 N/A SER 117.A N VAL 113.A O no hydrogen 2.887 N/A SER 117.A OG VAL 122.A O no hydrogen 2.733 N/A SER 118.A N ASN 114.A O no hydrogen 3.082 N/A SER 118.A OG ASN 114.A O no hydrogen 3.163 N/A THR 119.A N THR 115.A O no hydrogen 2.914 N/A THR 119.A OG1 THR 115.A O no hydrogen 2.640 N/A PHE 120.A N PHE 116.A O no hydrogen 3.196 N/A VAL 122.A N SER 117.A O no hydrogen 2.891 N/A LYS 126.A N PRO 123.A O no hydrogen 3.124 N/A LEU 127.A N MET 124.A O no hydrogen 3.159 N/A LYS 128.A N GLU 125.A O no hydrogen 3.416 N/A VAL 131.A N LEU 127.A O no hydrogen 2.873 N/A ALA 132.A N LYS 128.A O no hydrogen 3.250 N/A THR 133.A N THR 129.A O no hydrogen 3.125 N/A THR 133.A OG1 THR 129.A O no hydrogen 3.337 N/A ALA 134.A N LEU 130.A O no hydrogen 3.196 N/A GLU 135.A N VAL 131.A O no hydrogen 3.004 N/A ALA 136.A N ALA 132.A O no hydrogen 3.207 N/A GLU 137.A N THR 133.A O no hydrogen 3.022 N/A LEU 138.A N ALA 134.A O no hydrogen 3.098 N/A ALA 139.A N GLU 135.A O no hydrogen 3.320 N/A LYS 140.A N GLU 137.A O no hydrogen 2.944 N/A LYS 140.A NZ GLU 137.A OE2 no hydrogen 3.008 N/A ASN 141.A N LEU 138.A O no hydrogen 3.103 N/A VAL 142.A N GLU 137.A O no hydrogen 3.235 N/A VAL 147.A N SER 143.A O no hydrogen 3.011 N/A LEU 148.A N LEU 144.A O no hydrogen 2.788 N/A SER 149.A N ASP 145.A O no hydrogen 2.980 N/A THR 150.A N ASN 146.A O no hydrogen 2.854 N/A THR 150.A OG1 ASN 146.A O no hydrogen 2.885 N/A PHE 151.A N VAL 147.A O no hydrogen 2.919 N/A ILE 152.A N LEU 148.A O no hydrogen 2.875 N/A SER 153.A N SER 149.A O no hydrogen 3.048 N/A SER 153.A OG SER 149.A O no hydrogen 3.216 N/A ALA 154.A N THR 150.A O no hydrogen 3.268 N/A ALA 155.A N PHE 151.A O no hydrogen 2.816 N/A ARG 156.A N ILE 152.A O no hydrogen 2.805 N/A ARG 156.A NE THR 166.A OG1 no hydrogen 3.261 N/A ARG 156.A NH1 ASP 161.A O no hydrogen 2.860 N/A ARG 156.A NH1 VAL 164.A O no hydrogen 3.087 N/A ARG 156.A NH2 VAL 164.A O no hydrogen 2.742 N/A ARG 156.A NH2 THR 166.A OG1 no hydrogen 2.982 N/A PHE 159.A N ARG 156.A O no hydrogen 2.913 N/A VAL 160.A N ARG 156.A O no hydrogen 3.067 N/A VAL 164.A N ASP 161.A O no hydrogen 3.372 N/A ASP 168.A N GLU 165.A O no hydrogen 3.075 N/A VAL 169.A N GLU 165.A O no hydrogen 3.395 N/A VAL 170.A N THR 166.A O no hydrogen 2.967 N/A GLU 171.A N LYS 167.A O no hydrogen 3.038 N/A CYS 172.A N ASP 168.A O no hydrogen 2.997 N/A LEU 173.A N VAL 169.A O no hydrogen 2.948 N/A LYS 174.A N VAL 170.A O no hydrogen 3.087 N/A LYS 174.A NZ ASP 145.A OD1 no hydrogen 3.459 N/A LYS 174.A NZ ASP 145.A OD2 no hydrogen 2.951 N/A LEU 175.A N GLU 171.A O no hydrogen 3.015 N/A SER 176.A N CYS 172.A O no hydrogen 2.854 N/A SER 176.A OG ILE 181.A O no hydrogen 3.009 N/A HIS 177.A N LEU 173.A O no hydrogen 3.095 N/A HIS 177.A NE2 GLY 17.A O no hydrogen 3.032 N/A GLN 178.A N LYS 174.A O no hydrogen 3.155 N/A GLN 178.A NE2 SER 37.A OG no hydrogen 2.903 N/A SER 179.A N LEU 175.A O no hydrogen 3.114 N/A ILE 181.A N SER 176.A O no hydrogen 3.069 N/A THR 184.A N LEU 260.A O no hydrogen 2.893 N/A SER 187.A OG THR 265.A OG1 no hydrogen 2.929 N/A CYS 188.A N THR 265.A O no hydrogen 2.949 N/A CYS 188.A SG ASN 190.A OD1 no hydrogen 3.895 N/A CYS 188.A SG THR 265.A O no hydrogen 3.725 N/A ASN 189.A N ILE 230.A O no hydrogen 2.784 N/A ASN 189.A ND2 ALA 228.A O no hydrogen 2.800 N/A ASN 190.A N ILE 230.A O no hydrogen 2.993 N/A ASN 190.A ND2 CYS 212.A O no hydrogen 3.121 N/A ASN 190.A ND2 ASP 235.A OD2 no hydrogen 3.136 N/A TYR 191.A N ASN 189.A OD1 no hydrogen 2.891 N/A MET 192.A N ARG 215.A O no hydrogen 2.954 N/A THR 194.A N ILE 217.A O no hydrogen 2.930 N/A ASN 196.A N LEU 193.A O no hydrogen 3.253 N/A ASN 196.A ND2 LEU 193.A O no hydrogen 3.142 N/A GLU 199.A N GLU 199.A OE2 no hydrogen 2.802 N/A ASN 200.A N LYS 197.A O no hydrogen 3.183 N/A MET 201.A N VAL 198.A O no hydrogen 3.071 N/A ASP 205.A N THR 202.A OG1 no hydrogen 3.253 N/A LEU 206.A N THR 202.A O no hydrogen 2.923 N/A GLY 207.A N PRO 203.A O no hydrogen 2.922 N/A ALA 208.A N ARG 204.A O no hydrogen 3.110 N/A CYS 209.A N ASP 205.A O no hydrogen 3.097 N/A CYS 209.A SG ASP 205.A O no hydrogen 3.307 N/A ILE 210.A N LEU 206.A O no hydrogen 3.004 N/A ASP 211.A N GLY 207.A O no hydrogen 2.845 N/A CYS 212.A N ALA 208.A O no hydrogen 3.113 N/A CYS 212.A SG ALA 208.A O no hydrogen 3.270 N/A CYS 212.A SG CYS 209.A O no hydrogen 3.640 N/A SER 213.A N ILE 210.A O no hydrogen 3.257 N/A ALA 214.A N CYS 209.A O no hydrogen 2.876 N/A ARG 215.A N ASN 190.A O no hydrogen 3.164 N/A ARG 215.A NH2 THR 273.A O no hydrogen 2.819 N/A HIS 216.A N THR 274.A O no hydrogen 2.737 N/A HIS 216.A NE2 ASN 196.A O no hydrogen 2.771 N/A ILE 217.A N MET 192.A O no hydrogen 2.789 N/A ALA 222.A N ASN 218.A O no hydrogen 2.843 N/A LYS 223.A N ALA 219.A O no hydrogen 2.872 N/A SER 224.A N GLN 220.A O no hydrogen 3.058 N/A SER 224.A OG GLN 220.A O no hydrogen 2.819 N/A SER 224.A OG VAL 221.A O no hydrogen 3.461 N/A ASN 226.A N LYS 223.A O no hydrogen 3.188 N/A ILE 227.A N ALA 222.A O no hydrogen 2.880 N/A LEU 229.A N PRO 257.A O no hydrogen 2.863 N/A ILE 230.A N ASN 189.A OD1 no hydrogen 2.858 N/A TRP 231.A N LYS 259.A O no hydrogen 2.979 N/A TRP 231.A NE1 TYR 191.A O no hydrogen 2.785 N/A ASN 232.A N ASN 190.A OD1 no hydrogen 3.162 N/A ASN 232.A ND2 ALA 263.A O no hydrogen 2.784 N/A VAL 233.A N THR 261.A O no hydrogen 2.877 N/A ASP 235.A N ASN 232.A OD1 no hydrogen 3.033 N/A PHE 236.A N ASN 232.A O no hydrogen 2.816 N/A MET 237.A N VAL 233.A O no hydrogen 3.002 N/A SER 238.A N ASP 235.A O no hydrogen 3.260 N/A SER 238.A OG ASP 235.A O no hydrogen 2.705 N/A LEU 239.A N PHE 236.A O no hydrogen 3.355 N/A SER 240.A N ASP 205.A OD1 no hydrogen 2.817 N/A SER 240.A OG ASP 205.A OD1 no hydrogen 3.350 N/A SER 240.A OG ASP 205.A OD2 no hydrogen 2.660 N/A LEU 243.A N SER 240.A OG no hydrogen 3.314 N/A ARG 244.A N SER 240.A O no hydrogen 2.773 N/A LYS 245.A N GLU 241.A O no hydrogen 3.090 N/A LYS 245.A NZ GLN 85.A OE1 no hydrogen 3.347 N/A GLN 246.A N GLN 242.A O no hydrogen 2.996 N/A ILE 247.A N LEU 243.A O no hydrogen 3.006 N/A ARG 248.A N ARG 244.A O no hydrogen 3.300 N/A SER 249.A N LYS 245.A O no hydrogen 2.953 N/A SER 249.A OG LYS 245.A O no hydrogen 3.297 N/A SER 249.A OG GLN 246.A O no hydrogen 3.100 N/A ALA 250.A N GLN 246.A O no hydrogen 3.050 N/A ALA 251.A N ILE 247.A O no hydrogen 3.160 N/A LYS 252.A N ARG 248.A O no hydrogen 2.960 N/A LYS 253.A N SER 249.A O no hydrogen 2.819 N/A LYS 253.A NZ TYR 195.A OH no hydrogen 3.556 N/A ASN 254.A N ALA 250.A O no hydrogen 3.362 N/A ASN 254.A N ALA 251.A O no hydrogen 3.264 N/A ASN 255.A N LYS 252.A O no hydrogen 3.263 N/A LEU 256.A N ALA 251.A O no hydrogen 2.780 N/A LYS 259.A N LEU 229.A O no hydrogen 2.975 N/A LEU 260.A N GLU 182.A O no hydrogen 2.901 N/A THR 261.A N TRP 231.A O no hydrogen 2.829 N/A THR 261.A OG1 THR 184.A O no hydrogen 2.991 N/A THR 261.A OG1 ASP 186.A O no hydrogen 2.707 N/A CYS 262.A SG THR 184.A O no hydrogen 3.914 N/A ALA 263.A N THR 261.A OG1 no hydrogen 3.172 N/A THR 264.A OG1 ASP 163.A OD2 no hydrogen 3.222 N/A THR 265.A OG1 SER 187.A OG no hydrogen 2.929 N/A ARG 266.A NH2 CYS 212.A O no hydrogen 2.791 N/A ARG 266.A NH2 SER 213.A O no hydrogen 2.977 N/A GLN 267.A N CYS 188.A O no hydrogen 2.852 N/A THR 273.A OG1 HIS 216.A O no hydrogen 2.720 N/A THR 274.A N HIS 216.A O no hydrogen 3.137 N/A ILE 276.A N ALA 214.A O no hydrogen 3.248 N/A