Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N THR 2.A OG1 no hydrogen 3.274 N/A GLN 6.A N THR 2.A O no hydrogen 3.214 N/A SER 7.A N ARG 3.A O no hydrogen 2.926 N/A SER 7.A OG ARG 3.A O no hydrogen 3.125 N/A LEU 8.A N GLU 4.A O no hydrogen 3.020 N/A ALA 9.A N LEU 5.A O no hydrogen 2.819 N/A ALA 10.A N GLN 6.A O no hydrogen 3.046 N/A ALA 11.A N LEU 8.A O no hydrogen 3.283 N/A SER 15.A OG THR 18.A OG1 no hydrogen 2.928 N/A THR 18.A N SER 15.A OG no hydrogen 3.105 N/A THR 18.A OG1 SER 15.A OG no hydrogen 2.928 N/A LEU 19.A N SER 15.A O no hydrogen 3.042 N/A LEU 19.A N ALA 16.A O no hydrogen 3.170 N/A LYS 20.A N ALA 16.A O no hydrogen 2.899 N/A LYS 20.A N GLN 17.A O no hydrogen 3.267 N/A ASP 23.A N LYS 20.A O no hydrogen 2.983 N/A PHE 26.A N ASP 23.A O no hydrogen 3.021 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 3.009 N/A LEU 31.A N ASP 28.A O no hydrogen 3.047 N/A SER 32.A N GLU 35.A OE1 no hydrogen 2.708 N/A SER 32.A OG GLU 35.A OE1 no hydrogen 3.123 N/A GLU 35.A N SER 32.A OG no hydrogen 3.208 N/A THR 36.A N SER 32.A O no hydrogen 3.033 N/A THR 36.A OG1 ASP 33.A O no hydrogen 2.694 N/A ALA 37.A N ASP 33.A O no hydrogen 2.869 N/A LEU 38.A N LEU 34.A O no hydrogen 2.930 N/A CYS 39.A N GLU 35.A O no hydrogen 3.056 N/A CYS 39.A SG GLU 35.A O no hydrogen 3.201 N/A THR 40.A N THR 36.A O no hydrogen 2.949 N/A THR 40.A OG1 THR 36.A O no hydrogen 2.828 N/A ILE 41.A N ALA 37.A O no hydrogen 3.124 N/A ARG 42.A N LEU 38.A O no hydrogen 2.991 N/A ARG 42.A NE PRO 14.A O no hydrogen 2.953 N/A ARG 42.A NH1 ASP 46.A OD1 no hydrogen 3.020 N/A ARG 42.A NH2 VAL 13.A O no hydrogen 2.820 N/A ARG 42.A NH2 PRO 14.A O no hydrogen 3.302 N/A MET 43.A N CYS 39.A O no hydrogen 3.049 N/A PHE 44.A N THR 40.A O no hydrogen 3.205 N/A THR 45.A N ILE 41.A O no hydrogen 2.854 N/A THR 45.A OG1 ILE 41.A O no hydrogen 2.834 N/A ASP 46.A N ARG 42.A O no hydrogen 2.905 N/A LEU 47.A N MET 43.A O no hydrogen 3.189 N/A ASN 48.A N THR 45.A O no hydrogen 2.969 N/A LEU 49.A N PHE 44.A O no hydrogen 2.917 N/A ASN 52.A N ASN 48.A O no hydrogen 3.030 N/A GLN 54.A N GLN 51.A O no hydrogen 3.267 N/A MET 55.A N VAL 50.A O no hydrogen 3.182 N/A VAL 59.A N LYS 56.A O no hydrogen 2.820 N/A LEU 60.A N LYS 56.A O no hydrogen 3.026 N/A CYS 61.A N HIS 57.A O no hydrogen 3.034 N/A CYS 61.A SG HIS 57.A O no hydrogen 3.260 N/A ARG 62.A N GLU 58.A O no hydrogen 3.080 N/A TRP 63.A N VAL 59.A O no hydrogen 2.844 N/A ILE 64.A N LEU 60.A O no hydrogen 2.907 N/A LEU 65.A N CYS 61.A O no hydrogen 2.934 N/A SER 66.A N ARG 62.A O no hydrogen 2.818 N/A SER 66.A OG ARG 62.A O no hydrogen 3.322 N/A SER 66.A OG ASN 155.A OD1 no hydrogen 2.839 N/A VAL 67.A N TRP 63.A O no hydrogen 2.828 N/A LYS 68.A N ILE 64.A O no hydrogen 2.905 N/A LYS 69.A N LEU 65.A O no hydrogen 2.963 N/A ASN 70.A N SER 66.A O no hydrogen 3.155 N/A ASN 70.A N VAL 67.A O no hydrogen 3.065 N/A ASN 70.A ND2 SER 66.A O no hydrogen 3.247 N/A TYR 71.A N LYS 68.A O no hydrogen 3.199 N/A TYR 71.A OH LEU 116.A O no hydrogen 2.544 N/A VAL 75.A N ARG 72.A O no hydrogen 3.351 N/A ALA 76.A N GLN 246.A OE1 no hydrogen 3.052 N/A TYR 77.A N GLU 242.A OE2 no hydrogen 2.871 N/A HIS 78.A N GLU 242.A OE2 no hydrogen 2.800 N/A HIS 78.A ND1 GLU 242.A OE1 no hydrogen 2.720 N/A ASN 79.A N TYR 77.A O no hydrogen 2.805 N/A ASN 79.A ND2 VAL 75.A O no hydrogen 2.686 N/A ASN 79.A ND2 ALA 76.A O no hydrogen 2.932 N/A TRP 80.A NE1 THR 36.A OG1 no hydrogen 2.876 N/A ARG 81.A NH1 ASP 28.A OD2 no hydrogen 2.846 N/A ARG 81.A NH1 LEU 31.A O no hydrogen 3.106 N/A ARG 81.A NH2 LEU 31.A O no hydrogen 2.817 N/A ARG 81.A NH2 ASP 33.A OD1 no hydrogen 3.015 N/A HIS 82.A N ASN 79.A OD1 no hydrogen 3.444 N/A ALA 83.A N ASN 79.A O no hydrogen 3.167 N/A PHE 84.A N TRP 80.A O no hydrogen 2.652 N/A ASN 85.A N ARG 81.A O no hydrogen 2.890 N/A ASN 85.A ND2 ASP 28.A OD1 no hydrogen 2.974 N/A ASN 85.A ND2 ARG 81.A O no hydrogen 3.020 N/A THR 86.A N HIS 82.A O no hydrogen 2.892 N/A THR 86.A OG1 HIS 82.A O no hydrogen 2.774 N/A ALA 87.A N ALA 83.A O no hydrogen 3.055 N/A GLN 88.A N PHE 84.A O no hydrogen 2.923 N/A GLN 88.A NE2 ILE 21.A O no hydrogen 2.986 N/A GLN 88.A NE2 ASP 23.A O no hydrogen 3.017 N/A CYS 89.A N ASN 85.A O no hydrogen 2.885 N/A MET 90.A N THR 86.A O no hydrogen 3.046 N/A PHE 91.A N ALA 87.A O no hydrogen 2.917 N/A ALA 92.A N GLN 88.A O no hydrogen 2.889 N/A ALA 93.A N CYS 89.A O no hydrogen 2.888 N/A LEU 94.A N MET 90.A O no hydrogen 2.870 N/A LYS 95.A N PHE 91.A O no hydrogen 2.959 N/A GLY 97.A N ALA 92.A O no hydrogen 2.863 N/A LYS 98.A N LYS 95.A O no hydrogen 2.819 N/A ILE 99.A N ALA 93.A O no hydrogen 3.300 N/A GLN 100.A N LEU 94.A O no hydrogen 3.001 N/A LYS 102.A N ILE 99.A O no hydrogen 2.807 N/A LEU 103.A N GLN 100.A O no hydrogen 3.239 N/A THR 104.A N GLU 107.A OE1 no hydrogen 2.896 N/A GLU 107.A N THR 104.A OG1 no hydrogen 3.201 N/A ILE 108.A N THR 104.A O no hydrogen 2.938 N/A LEU 109.A N ASP 105.A O no hydrogen 2.894 N/A ALA 110.A N LEU 106.A O no hydrogen 3.035 N/A LEU 111.A N GLU 107.A O no hydrogen 2.927 N/A LEU 112.A N ILE 108.A O no hydrogen 3.096 N/A ILE 113.A N LEU 109.A O no hydrogen 3.218 N/A ALA 114.A N ALA 110.A O no hydrogen 2.899 N/A ALA 115.A N LEU 111.A O no hydrogen 2.757 N/A LEU 116.A N LEU 112.A O no hydrogen 3.020 N/A SER 117.A N ILE 113.A O no hydrogen 2.934 N/A SER 117.A N ALA 114.A O no hydrogen 3.175 N/A SER 117.A OG ILE 113.A O no hydrogen 2.628 N/A HIS 118.A ND1 ALA 115.A O no hydrogen 2.737 N/A HIS 118.A NE2 ASP 221.A OD1 no hydrogen 2.990 N/A ASP 119.A N TYR 71.A OH no hydrogen 3.274 N/A LEU 120.A N SER 117.A O no hydrogen 3.053 N/A ASP 121.A N ASN 70.A O no hydrogen 2.848 N/A HIS 122.A N ASP 119.A O no hydrogen 3.037 N/A VAL 125.A N GLU 242.A OE1 no hydrogen 3.061 N/A ASN 126.A ND2 PHE 243.A O no hydrogen 3.318 N/A ASN 126.A ND2 GLN 246.A O no hydrogen 2.515 N/A SER 136.A OG ASP 181.A OD2 no hydrogen 2.568 N/A HIS 140.A N SER 136.A O no hydrogen 3.079 N/A HIS 141.A N ILE 137.A O no hydrogen 3.304 N/A HIS 141.A NE2 ASP 121.A OD2 no hydrogen 2.868 N/A HIS 142.A N MET 138.A O no hydrogen 2.825 N/A HIS 142.A ND1 LEU 120.A O no hydrogen 2.625 N/A PHE 143.A N GLU 139.A O no hydrogen 2.919 N/A ASP 144.A N HIS 140.A O no hydrogen 3.021 N/A GLN 145.A N HIS 141.A O no hydrogen 3.114 N/A GLN 145.A NE2 ASN 70.A OD1 no hydrogen 3.034 N/A CYS 146.A N HIS 142.A O no hydrogen 2.985 N/A LEU 147.A N PHE 143.A O no hydrogen 2.905 N/A MET 148.A N ASP 144.A O no hydrogen 2.882 N/A ILE 149.A N GLN 145.A O no hydrogen 3.123 N/A LEU 150.A N CYS 146.A O no hydrogen 2.920 N/A ASN 151.A N LEU 147.A O no hydrogen 2.955 N/A ASN 151.A N MET 148.A O no hydrogen 3.085 N/A SER 152.A N ILE 149.A O no hydrogen 3.013 N/A SER 152.A OG MET 148.A O no hydrogen 3.114 N/A ASN 155.A N SER 152.A O no hydrogen 2.936 N/A ASN 155.A ND2 PRO 153.A O no hydrogen 3.026 N/A GLN 156.A NE2 SER 152.A O no hydrogen 3.356 N/A ILE 157.A N ASN 155.A O no hydrogen 2.854 N/A SER 159.A N GLN 156.A O no hydrogen 3.156 N/A SER 159.A OG GLN 156.A O no hydrogen 3.375 N/A LEU 161.A N LEU 158.A O no hydrogen 2.911 N/A SER 162.A N GLU 165.A OE1 no hydrogen 3.168 N/A GLU 165.A N SER 162.A OG no hydrogen 3.288 N/A TYR 166.A N SER 162.A O no hydrogen 2.854 N/A LYS 167.A N ILE 163.A O no hydrogen 2.854 N/A THR 168.A N GLU 164.A O no hydrogen 3.144 N/A THR 168.A OG1 GLU 164.A O no hydrogen 3.170 N/A THR 169.A N GLU 165.A O no hydrogen 2.947 N/A THR 169.A OG1 GLU 165.A O no hydrogen 2.897 N/A LEU 170.A N TYR 166.A O no hydrogen 2.910 N/A LYS 171.A N LYS 167.A O no hydrogen 3.068 N/A ILE 172.A N THR 168.A O no hydrogen 3.028 N/A ILE 173.A N THR 169.A O no hydrogen 2.818 N/A LYS 174.A N LEU 170.A O no hydrogen 2.966 N/A GLN 175.A N LYS 171.A O no hydrogen 2.975 N/A ALA 176.A N ILE 172.A O no hydrogen 2.919 N/A ILE 177.A N ILE 173.A O no hydrogen 2.965 N/A LEU 178.A N LYS 174.A O no hydrogen 3.032 N/A ALA 179.A N GLN 175.A O no hydrogen 2.849 N/A THR 180.A N ILE 177.A O no hydrogen 3.342 N/A THR 180.A OG1 ILE 177.A O no hydrogen 2.641 N/A ASP 181.A N LEU 178.A O no hydrogen 3.029 N/A ALA 183.A N ASP 181.A OD1 no hydrogen 3.173 N/A TYR 185.A N ASP 181.A O no hydrogen 3.074 N/A TYR 185.A OH ILE 261.A O no hydrogen 2.935 N/A ILE 186.A N LEU 182.A O no hydrogen 2.997 N/A LYS 187.A N ALA 183.A O no hydrogen 3.255 N/A ARG 188.A N LEU 184.A O no hydrogen 2.964 N/A ARG 189.A N TYR 185.A O no hydrogen 2.956 N/A ARG 189.A NH1 TYR 185.A OH no hydrogen 2.986 N/A ARG 189.A NH1 ALA 260.A O no hydrogen 2.955 N/A ARG 189.A NH2 ALA 260.A O no hydrogen 2.908 N/A PHE 193.A N ARG 189.A O no hydrogen 2.781 N/A GLU 194.A N GLY 190.A O no hydrogen 2.875 N/A LEU 195.A N GLU 191.A O no hydrogen 3.145 N/A ILE 196.A N PHE 192.A O no hydrogen 3.245 N/A ARG 197.A N PHE 193.A O no hydrogen 3.031 N/A LYS 198.A N GLU 194.A O no hydrogen 2.882 N/A ASN 199.A N ILE 196.A O no hydrogen 3.028 N/A GLN 200.A N LEU 195.A O no hydrogen 2.801 N/A ASN 202.A N GLN 208.A OE1 no hydrogen 2.507 N/A GLU 204.A N ASN 202.A OD1 no hydrogen 3.462 N/A ASP 205.A N ASN 202.A O no hydrogen 3.287 N/A HIS 207.A NE2 GLU 191.A OE2 no hydrogen 2.818 N/A LYS 209.A N ASP 205.A O no hydrogen 2.866 N/A LYS 209.A NZ GLU 107.A OE1 no hydrogen 2.893 N/A LYS 209.A NZ GLU 107.A OE2 no hydrogen 2.897 N/A GLU 210.A N PRO 206.A O no hydrogen 3.035 N/A LEU 211.A N HIS 207.A O no hydrogen 3.100 N/A PHE 212.A N GLN 208.A O no hydrogen 2.842 N/A LEU 213.A N LYS 209.A O no hydrogen 3.034 N/A ALA 214.A N GLU 210.A O no hydrogen 3.270 N/A MET 215.A N LEU 211.A O no hydrogen 3.036 N/A LEU 216.A N PHE 212.A O no hydrogen 2.766 N/A MET 217.A N LEU 213.A O no hydrogen 2.980 N/A THR 218.A N ALA 214.A O no hydrogen 3.197 N/A THR 218.A OG1 ALA 214.A O no hydrogen 3.510 N/A ALA 219.A N MET 215.A O no hydrogen 2.921 N/A CYS 220.A N LEU 216.A O no hydrogen 3.039 N/A CYS 220.A SG LEU 216.A O no hydrogen 3.365 N/A ASP 221.A N MET 217.A O no hydrogen 2.918 N/A LEU 222.A N THR 218.A O no hydrogen 2.938 N/A SER 223.A N CYS 220.A O no hydrogen 3.188 N/A SER 223.A OG CYS 220.A O no hydrogen 2.616 N/A ILE 225.A N LEU 222.A O no hydrogen 3.093 N/A THR 226.A N SER 223.A O no hydrogen 2.746 N/A THR 226.A OG1 SER 223.A O no hydrogen 2.516 N/A LYS 227.A N ALA 224.A O no hydrogen 3.203 N/A LYS 227.A NZ PHE 24.A O no hydrogen 2.717 N/A LYS 227.A NZ PHE 26.A O no hydrogen 2.708 N/A GLN 232.A N PRO 228.A O no hydrogen 2.951 N/A GLN 232.A NE2 ALA 224.A O no hydrogen 2.850 N/A GLN 233.A N TRP 229.A O no hydrogen 2.921 N/A ILE 235.A N ILE 231.A O no hydrogen 2.989 N/A ALA 236.A N GLN 232.A O no hydrogen 2.806 N/A GLU 237.A N GLN 233.A O no hydrogen 3.064 N/A LEU 238.A N ARG 234.A O no hydrogen 3.162 N/A VAL 239.A N ILE 235.A O no hydrogen 2.956 N/A ALA 240.A N ALA 236.A O no hydrogen 2.921 N/A THR 241.A N GLU 237.A O no hydrogen 2.952 N/A THR 241.A OG1 GLU 237.A O no hydrogen 3.003 N/A GLU 242.A N LEU 238.A O no hydrogen 3.000 N/A PHE 243.A N VAL 239.A O no hydrogen 2.890 N/A PHE 244.A N ALA 240.A O no hydrogen 2.993 N/A ASP 245.A N THR 241.A O no hydrogen 3.071 N/A GLN 246.A NE2 ASN 74.A O no hydrogen 3.368 N/A ILE 250.A N LYS 247.A O no hydrogen 3.421 N/A SER 252.A OG LYS 249.A O no hydrogen 3.238 N/A MET 253.A N LYS 249.A O no hydrogen 3.263 N/A GLN 254.A N ILE 250.A O no hydrogen 3.098 N/A GLN 254.A NE2 GLN 232.A OE1 no hydrogen 3.184 N/A VAL 255.A N PRO 251.A O no hydrogen 3.229 N/A GLY 256.A N SER 252.A O no hydrogen 2.992 N/A PHE 257.A N MET 253.A O no hydrogen 2.882 N/A ILE 258.A N GLN 254.A O no hydrogen 2.868 N/A ASP 259.A N VAL 255.A O no hydrogen 2.884 N/A ALA 260.A N GLY 256.A O no hydrogen 2.860 N/A ILE 261.A N PHE 257.A O no hydrogen 3.025 N/A CYS 262.A N PHE 257.A O no hydrogen 3.426 N/A CYS 262.A SG PHE 257.A O no hydrogen 3.796 N/A LEU 263.A N ILE 258.A O no hydrogen 3.026 N/A TYR 266.A N CYS 262.A O no hydrogen 3.106 N/A TYR 266.A OH ALA 219.A O no hydrogen 2.674 N/A GLU 267.A N LEU 263.A O no hydrogen 2.853 N/A ALA 268.A N GLN 264.A O no hydrogen 2.781 N/A LEU 269.A N LEU 265.A O no hydrogen 2.892 N/A THR 270.A N TYR 266.A O no hydrogen 3.122 N/A THR 270.A N GLU 267.A O no hydrogen 3.116 N/A THR 270.A OG1 TYR 266.A O no hydrogen 2.886 N/A HIS 271.A N GLU 267.A O no hydrogen 3.120 N/A VAL 272.A N ALA 268.A O no hydrogen 3.048 N/A SER 273.A N LEU 269.A O no hydrogen 2.888 N/A SER 273.A OG GLY 97.A O no hydrogen 2.664 N/A CYS 276.A N SER 273.A O no hydrogen 2.779 N/A PHE 277.A N GLU 274.A O no hydrogen 3.187 N/A LEU 279.A N CYS 276.A O no hydrogen 3.117 N/A ASP 281.A N PHE 277.A O no hydrogen 2.809 N/A GLY 282.A N PRO 278.A O no hydrogen 3.043 N/A CYS 283.A N LEU 279.A O no hydrogen 3.064 N/A ARG 284.A N LEU 280.A O no hydrogen 3.001 N/A ARG 284.A NH2 GLU 267.A OE1 no hydrogen 3.490 N/A LYS 285.A N ASP 281.A O no hydrogen 2.939 N/A LYS 285.A NZ ASP 281.A OD2 no hydrogen 3.174 N/A ASN 286.A N GLY 282.A O no hydrogen 3.030 N/A ASN 286.A ND2 ILE 225.A O no hydrogen 2.902 N/A ASN 286.A ND2 LYS 227.A O no hydrogen 2.758 N/A ARG 287.A N CYS 283.A O no hydrogen 3.111 N/A ARG 287.A NE ASP 259.A OD1 no hydrogen 2.905 N/A ARG 287.A NH1 ASP 259.A OD1 no hydrogen 3.387 N/A ARG 287.A NH1 ASP 259.A OD2 no hydrogen 2.883 N/A GLN 288.A N ARG 284.A O no hydrogen 3.074 N/A LYS 289.A N LYS 285.A O no hydrogen 3.175 N/A TRP 290.A N ASN 286.A O no hydrogen 2.987 N/A TRP 290.A NE1 GLN 232.A OE1 no hydrogen 3.132 N/A GLN 291.A N ARG 287.A O no hydrogen 2.836 N/A GLN 291.A NE2 GLU 295.A OE2 no hydrogen 2.874 N/A ALA 292.A N GLN 288.A O no hydrogen 2.975 N/A LEU 293.A N LYS 289.A O no hydrogen 3.287 N/A ALA 294.A N TRP 290.A O no hydrogen 2.842 N/A GLU 295.A N GLN 291.A O no hydrogen 3.005 N/A GLU 295.A N ALA 292.A O no hydrogen 3.229 N/A GLN 296.A N LEU 293.A O no hydrogen 3.219 N/A GLN 297.A N LEU 293.A O no hydrogen 3.142 N/A