Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q78_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 37.A OD2 no hydrogen 2.595 N/A MET 5.A N ASP 37.A OD2 no hydrogen 2.889 N/A GLN 7.A N PRO 4.A O no hydrogen 3.075 N/A ARG 8.A N MET 5.A O no hydrogen 3.237 N/A TRP 11.A N ARG 8.A O no hydrogen 2.986 N/A ALA 12.A N ARG 9.A O no hydrogen 3.258 N/A VAL 14.A N TRP 11.A O no hydrogen 3.020 N/A ILE 17.A N ASP 40.A O no hydrogen 2.931 N/A GLN 19.A NE2 ASP 21.A OD1 no hydrogen 2.663 N/A GLN 19.A NE2 TYR 31.A OH no hydrogen 3.151 N/A TYR 31.A N ILE 29.A O no hydrogen 2.973 N/A SER 32.A OG GLU 34.A OE2 no hydrogen 3.393 N/A GLU 34.A N GLU 34.A OE2 no hydrogen 2.753 N/A TYR 35.A N SER 32.A OG no hydrogen 3.215 N/A LYS 36.A N SER 32.A O no hydrogen 3.112 N/A LYS 36.A NZ ASP 40.A OD2 no hydrogen 2.837 N/A ASP 37.A N GLU 33.A O no hydrogen 3.166 N/A ALA 38.A N GLU 34.A O no hydrogen 2.948 N/A MET 39.A N TYR 35.A O no hydrogen 2.935 N/A ASP 40.A N LYS 36.A O no hydrogen 2.817 N/A TYR 41.A N ASP 37.A O no hydrogen 3.207 N/A PHE 42.A N ALA 38.A O no hydrogen 2.822 N/A ARG 43.A N MET 39.A O no hydrogen 2.873 N/A ARG 43.A NH1 ILE 17.A O no hydrogen 3.328 N/A ILE 45.A N TYR 41.A O no hydrogen 2.958 N/A ALA 46.A N PHE 42.A O no hydrogen 2.767 N/A ALA 47.A N ARG 43.A O no hydrogen 2.930 N/A LYS 48.A N ALA 44.A O no hydrogen 3.270 N/A LYS 48.A NZ GLU 50.A OE1 no hydrogen 3.302 N/A GLU 49.A N ALA 46.A O no hydrogen 2.981 N/A GLU 50.A N ILE 45.A O no hydrogen 3.016 N/A SER 52.A OG GLU 50.A OE2 no hydrogen 2.589 N/A ARG 54.A NE GLU 50.A OE2 no hydrogen 2.594 N/A ARG 54.A NH1 SER 10.A O no hydrogen 2.867 N/A ARG 54.A NH1 ASP 13.A OD1 no hydrogen 3.041 N/A ARG 54.A NH2 ASP 13.A OD2 no hydrogen 3.128 N/A ARG 54.A NH2 GLU 50.A OE1 no hydrogen 2.817 N/A ARG 54.A NH2 GLU 50.A OE2 no hydrogen 3.326 N/A ALA 55.A N SER 52.A OG no hydrogen 3.269 N/A LEU 56.A N SER 52.A O no hydrogen 3.095 N/A GLU 57.A N GLU 53.A O no hydrogen 2.902 N/A LEU 58.A N ARG 54.A O no hydrogen 2.941 N/A THR 59.A N ALA 55.A O no hydrogen 2.936 N/A THR 59.A OG1 LEU 56.A O no hydrogen 2.585 N/A GLU 60.A N LEU 56.A O no hydrogen 3.245 N/A ILE 61.A N GLU 57.A O no hydrogen 3.067 N/A ILE 62.A N LEU 58.A O no hydrogen 3.055 N/A VAL 63.A N THR 59.A O no hydrogen 2.961 N/A ARG 64.A N GLU 60.A O no hydrogen 3.168 N/A ARG 64.A NE GLU 60.A OE2 no hydrogen 3.184 N/A ARG 64.A NH1 GLU 96.A OE2 no hydrogen 3.224 N/A ARG 64.A NH2 GLU 60.A OE2 no hydrogen 3.025 N/A ARG 64.A NH2 GLU 96.A OE1 no hydrogen 3.368 N/A ASN 66.A N ILE 62.A O no hydrogen 2.895 N/A ALA 68.A N ASN 66.A OD1 no hydrogen 3.135 N/A HIS 69.A N ASN 66.A O no hydrogen 3.062 N/A VAL 72.A N HIS 69.A O no hydrogen 3.061 N/A TRP 73.A N HIS 69.A O no hydrogen 3.132 N/A TRP 73.A NE1 PRO 67.A O no hydrogen 2.882 N/A GLN 74.A N TYR 70.A O no hydrogen 2.941 N/A TYR 75.A N THR 71.A O no hydrogen 3.108 N/A TYR 75.A OH GLU 50.A O no hydrogen 2.574 N/A ARG 76.A N VAL 72.A O no hydrogen 2.827 N/A ARG 76.A NE GLU 90.A OE2 no hydrogen 2.819 N/A ARG 76.A NH1 THR 59.A OG1 no hydrogen 2.994 N/A ARG 76.A NH2 GLU 90.A OE1 no hydrogen 2.923 N/A PHE 77.A N TRP 73.A O no hydrogen 3.057 N/A SER 78.A N GLN 74.A O no hydrogen 3.262 N/A SER 78.A OG TYR 75.A O no hydrogen 2.659 N/A LEU 79.A N TYR 75.A O no hydrogen 2.968 N/A LEU 80.A N ARG 76.A O no hydrogen 2.933 N/A THR 81.A N PHE 77.A O no hydrogen 3.051 N/A THR 81.A OG1 PHE 77.A O no hydrogen 3.278 N/A SER 82.A N SER 78.A O no hydrogen 2.994 N/A LEU 83.A N LEU 79.A O no hydrogen 2.904 N/A ASN 84.A N THR 81.A O no hydrogen 3.176 N/A LYS 85.A N LEU 80.A O no hydrogen 3.012 N/A LYS 85.A NZ GLU 53.A OE1 no hydrogen 3.367 N/A LYS 85.A NZ GLU 53.A OE2 no hydrogen 3.508 N/A SER 86.A OG GLU 88.A OE1 no hydrogen 3.401 N/A ASP 89.A N SER 86.A OG no hydrogen 3.165 N/A GLU 90.A N SER 86.A O no hydrogen 3.186 N/A LEU 91.A N LEU 87.A O no hydrogen 2.913 N/A ARG 92.A N GLU 88.A O no hydrogen 3.048 N/A ARG 92.A NH2 ASP 89.A OD1 no hydrogen 2.686 N/A LEU 93.A N ASP 89.A O no hydrogen 2.972 N/A MET 94.A N GLU 90.A O no hydrogen 2.921 N/A ASN 95.A N LEU 91.A O no hydrogen 3.117 N/A ASN 95.A N ARG 92.A O no hydrogen 3.060 N/A GLU 96.A N LEU 93.A O no hydrogen 3.289 N/A PHE 97.A N LEU 93.A O no hydrogen 3.379 N/A ALA 98.A N MET 94.A O no hydrogen 2.820 N/A VAL 99.A N GLU 96.A O no hydrogen 3.308 N/A GLN 100.A N PHE 97.A O no hydrogen 2.969 N/A ASN 101.A N PHE 97.A O no hydrogen 3.034 N/A ASN 101.A ND2 PHE 97.A O no hydrogen 2.984 N/A SER 104.A N ASN 101.A O no hydrogen 3.323 N/A SER 104.A OG PRO 67.A O no hydrogen 2.887 N/A SER 104.A OG GLN 106.A OE1 no hydrogen 3.511 N/A VAL 107.A N SER 104.A OG no hydrogen 3.416 N/A TRP 108.A N SER 104.A O no hydrogen 3.344 N/A TRP 108.A NE1 LEU 102.A O no hydrogen 2.751 N/A HIS 109.A N TYR 105.A O no hydrogen 2.991 N/A HIS 110.A N GLN 106.A O no hydrogen 2.955 N/A HIS 110.A NE2 GLU 90.A OE2 no hydrogen 2.735 N/A ARG 111.A N VAL 107.A O no hydrogen 3.037 N/A ARG 111.A NE GLU 126.A OE2 no hydrogen 2.652 N/A ARG 111.A NH1 ASN 95.A OD1 no hydrogen 2.895 N/A ARG 111.A NH2 ASN 95.A OD1 no hydrogen 2.703 N/A ARG 111.A NH2 GLU 126.A OE1 no hydrogen 3.142 N/A LEU 112.A N TRP 108.A O no hydrogen 2.968 N/A LEU 113.A N HIS 109.A O no hydrogen 2.846 N/A LEU 114.A N HIS 110.A O no hydrogen 2.998 N/A LEU 115.A N ARG 111.A O no hydrogen 3.137 N/A ASP 116.A N LEU 112.A O no hydrogen 2.923 N/A ARG 117.A N LEU 113.A O no hydrogen 3.063 N/A ILE 118.A N LEU 114.A O no hydrogen 2.740 N/A SER 119.A N LEU 115.A O no hydrogen 2.870 N/A VAL 124.A N ASP 122.A OD1 no hydrogen 3.040 N/A ILE 127.A N PRO 123.A O no hydrogen 2.957 N/A GLU 128.A N VAL 124.A O no hydrogen 2.987 N/A TYR 129.A N SER 125.A O no hydrogen 3.068 N/A ILE 130.A N GLU 126.A O no hydrogen 2.980 N/A HIS 131.A N ILE 127.A O no hydrogen 3.004 N/A HIS 131.A NE2 GLU 168.A OE2 no hydrogen 2.787 N/A GLY 132.A N GLU 128.A O no hydrogen 3.014 N/A SER 133.A N TYR 129.A O no hydrogen 2.892 N/A LEU 134.A N ILE 130.A O no hydrogen 3.191 N/A LEU 134.A N HIS 131.A O no hydrogen 3.088 N/A LEU 135.A N GLY 132.A O no hydrogen 3.408 N/A LYS 139.A N ASP 137.A OD1 no hydrogen 3.459 N/A LYS 139.A NZ ARG 181.A O no hydrogen 3.500 N/A ASN 140.A N ASP 137.A O no hydrogen 3.271 N/A ASN 140.A ND2 LEU 102.A O no hydrogen 3.169 N/A THR 143.A N ASN 140.A OD1 no hydrogen 3.120 N/A THR 143.A OG1 ASN 140.A OD1 no hydrogen 2.827 N/A TRP 144.A N ASN 140.A O no hydrogen 3.162 N/A TRP 144.A NE1 PRO 138.A O no hydrogen 2.747 N/A ALA 145.A N TYR 141.A O no hydrogen 2.959 N/A TYR 146.A N HIS 142.A O no hydrogen 2.869 N/A TYR 146.A OH GLU 126.A OE2 no hydrogen 2.729 N/A LEU 147.A N THR 143.A O no hydrogen 2.880 N/A HIS 148.A N TRP 144.A O no hydrogen 3.003 N/A TRP 149.A N ALA 145.A O no hydrogen 3.046 N/A LEU 150.A N TYR 146.A O no hydrogen 2.899 N/A TYR 151.A N LEU 147.A O no hydrogen 3.159 N/A TYR 151.A OH GLU 168.A OE1 no hydrogen 2.607 N/A SER 152.A N HIS 148.A O no hydrogen 2.886 N/A SER 152.A OG HIS 148.A O no hydrogen 2.736 N/A SER 152.A OG TYR 191.A OH no hydrogen 2.786 N/A HIS 153.A N TRP 149.A O no hydrogen 2.711 N/A PHE 154.A N LEU 150.A O no hydrogen 3.035 N/A SER 155.A N TYR 151.A O no hydrogen 2.964 N/A SER 155.A OG SER 152.A O no hydrogen 2.818 N/A THR 156.A N SER 152.A O no hydrogen 3.312 N/A THR 156.A N HIS 153.A O no hydrogen 3.279 N/A THR 156.A OG1 HIS 153.A O no hydrogen 2.622 N/A GLY 158.A N SER 155.A O no hydrogen 2.887 N/A ARG 159.A N PHE 154.A O no hydrogen 2.979 N/A ARG 159.A NH1 SER 119.A O no hydrogen 3.061 N/A ARG 159.A NH1 SER 119.A OG no hydrogen 2.881 N/A ARG 159.A NH1 PRO 120.A O no hydrogen 2.891 N/A GLN 164.A N SER 161.A OG no hydrogen 3.272 N/A GLN 164.A NE2 TYR 151.A OH no hydrogen 2.808 N/A TRP 165.A N SER 161.A O no hydrogen 3.039 N/A GLY 166.A N GLU 162.A O no hydrogen 2.947 N/A SER 167.A N ALA 163.A O no hydrogen 2.980 N/A SER 167.A OG GLN 164.A O no hydrogen 2.879 N/A GLU 168.A N GLN 164.A O no hydrogen 3.077 N/A LEU 169.A N TRP 165.A O no hydrogen 3.034 N/A ASP 170.A N GLY 166.A O no hydrogen 3.001 N/A TRP 171.A N SER 167.A O no hydrogen 2.911 N/A CYS 172.A N GLU 168.A O no hydrogen 2.883 N/A CYS 172.A SG ALA 185.A O no hydrogen 3.268 N/A ASN 173.A N LEU 169.A O no hydrogen 2.778 N/A GLU 174.A N ASP 170.A O no hydrogen 3.069 N/A MET 175.A N TRP 171.A O no hydrogen 2.993 N/A LEU 176.A N CYS 172.A O no hydrogen 3.056 N/A ARG 177.A N ASN 173.A O no hydrogen 2.949 N/A ARG 177.A NE GLU 174.A OE1 no hydrogen 3.273 N/A ARG 177.A NE GLU 174.A OE2 no hydrogen 3.121 N/A ARG 177.A NH2 GLU 174.A OE2 no hydrogen 2.705 N/A VAL 178.A N GLU 174.A O no hydrogen 3.017 N/A ASP 179.A N MET 175.A O no hydrogen 3.120 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 2.898 N/A ASN 182.A N ASP 179.A O no hydrogen 3.061 N/A ASN 182.A ND2 PRO 138.A O no hydrogen 3.167 N/A ASN 183.A ND2 SER 224.A OG no hydrogen 2.745 N/A SER 184.A N ASN 182.A OD1 no hydrogen 2.886 N/A ALA 185.A N ASN 182.A O no hydrogen 3.020 N/A ALA 185.A N ASN 182.A OD1 no hydrogen 3.323 N/A TRP 186.A N ASN 182.A O no hydrogen 3.282 N/A TRP 186.A NE1 GLY 180.A O no hydrogen 2.796 N/A GLY 187.A N ASN 183.A O no hydrogen 2.990 N/A TRP 188.A N SER 184.A O no hydrogen 3.064 N/A TRP 188.A NE1 GLU 168.A OE2 no hydrogen 2.844 N/A ARG 189.A N ALA 185.A O no hydrogen 2.923 N/A ARG 189.A NE GLU 208.A OE2 no hydrogen 2.979 N/A ARG 189.A NH2 GLU 208.A OE1 no hydrogen 3.147 N/A TRP 190.A N TRP 186.A O no hydrogen 2.973 N/A TYR 191.A N GLY 187.A O no hydrogen 3.212 N/A TYR 191.A OH SER 152.A OG no hydrogen 2.786 N/A LEU 192.A N TRP 188.A O no hydrogen 2.993 N/A ARG 193.A N ARG 189.A O no hydrogen 2.822 N/A ARG 193.A NH2 SER 204.A O no hydrogen 3.412 N/A ARG 193.A NH2 SER 204.A OG no hydrogen 3.223 N/A VAL 194.A N TRP 190.A O no hydrogen 2.814 N/A SER 195.A N TRP 190.A O no hydrogen 2.993 N/A ARG 196.A N TYR 191.A O no hydrogen 2.986 N/A ARG 196.A NH1 LEU 192.A O no hydrogen 3.188 N/A ALA 199.A N ARG 196.A O no hydrogen 3.022 N/A SER 202.A OG GLU 200.A OE2 no hydrogen 3.201 N/A SER 204.A N SER 202.A OG no hydrogen 2.905 N/A SER 204.A OG GLU 200.A O no hydrogen 3.175 N/A ASP 207.A N ARG 203.A O no hydrogen 2.985 N/A GLU 208.A N SER 204.A O no hydrogen 3.034 N/A LEU 209.A N LEU 205.A O no hydrogen 3.090 N/A ILE 210.A N GLN 206.A O no hydrogen 3.175 N/A TYR 211.A N ASP 207.A O no hydrogen 3.126 N/A ILE 212.A N GLU 208.A O no hydrogen 2.859 N/A LEU 213.A N LEU 209.A O no hydrogen 2.841 N/A LYS 214.A N ILE 210.A O no hydrogen 2.989 N/A SER 215.A N TYR 211.A O no hydrogen 2.955 N/A SER 215.A OG TYR 211.A O no hydrogen 2.887 N/A ILE 216.A N ILE 212.A O no hydrogen 2.936 N/A HIS 217.A N LEU 213.A O no hydrogen 2.961 N/A LEU 218.A N LYS 214.A O no hydrogen 2.970 N/A ILE 219.A N SER 215.A O no hydrogen 3.002 N/A HIS 221.A NE2 PRO 262.A O no hydrogen 2.948 N/A ASN 222.A N ILE 219.A O no hydrogen 2.868 N/A ASN 222.A ND2 GLY 180.A O no hydrogen 2.819 N/A SER 224.A N ASN 222.A OD1 no hydrogen 3.190 N/A TRP 226.A N ASN 222.A O no hydrogen 3.352 N/A TRP 226.A NE1 PRO 220.A O no hydrogen 2.708 N/A ASN 227.A N VAL 223.A O no hydrogen 3.011 N/A TYR 228.A N SER 224.A O no hydrogen 3.025 N/A TYR 228.A OH GLU 208.A OE2 no hydrogen 2.808 N/A LEU 229.A N ALA 225.A O no hydrogen 2.896 N/A ARG 230.A N TRP 226.A O no hydrogen 2.916 N/A ARG 230.A NH1 ASP 274.A OD2 no hydrogen 2.798 N/A ARG 230.A NH2 ASP 274.A OD2 no hydrogen 2.918 N/A GLY 231.A N ASN 227.A O no hydrogen 2.881 N/A PHE 232.A N TYR 228.A O no hydrogen 2.830 N/A LEU 233.A N LEU 229.A O no hydrogen 3.014 N/A LYS 234.A N ARG 230.A O no hydrogen 3.049 N/A HIS 235.A N GLY 231.A O no hydrogen 2.845 N/A PHE 236.A N PHE 232.A O no hydrogen 3.152 N/A SER 237.A N LYS 234.A O no hydrogen 3.406 N/A LEU 238.A N LEU 233.A O no hydrogen 2.805 N/A LEU 240.A N GLU 278.A OE1 no hydrogen 2.948 N/A LEU 240.A N GLU 278.A OE2 no hydrogen 3.141 N/A VAL 241.A N GLU 278.A OE2 no hydrogen 3.262 N/A ILE 243.A N LEU 240.A O no hydrogen 2.974 N/A LEU 244.A N VAL 241.A O no hydrogen 2.849 N/A ALA 246.A N ILE 243.A O no hydrogen 2.891 N/A ILE 247.A N LEU 244.A O no hydrogen 2.791 N/A LEU 248.A N LEU 244.A O no hydrogen 2.790 N/A TYR 250.A N ILE 247.A O no hydrogen 2.817 N/A THR 251.A N LEU 248.A O no hydrogen 2.920 N/A THR 251.A OG1 LEU 248.A O no hydrogen 2.656 N/A THR 261.A OG1 PRO 258.A O no hydrogen 2.865 N/A VAL 265.A N TYR 250.A O no hydrogen 3.062 N/A LEU 269.A N VAL 265.A O no hydrogen 3.089 N/A GLU 270.A N PRO 266.A O no hydrogen 2.978 N/A TYR 271.A N LEU 267.A O no hydrogen 3.062 N/A TYR 271.A OH LEU 240.A O no hydrogen 2.795 N/A LEU 272.A N ALA 268.A O no hydrogen 2.943 N/A ALA 273.A N LEU 269.A O no hydrogen 2.862 N/A ASP 274.A N GLU 270.A O no hydrogen 2.910 N/A SER 275.A N TYR 271.A O no hydrogen 2.835 N/A SER 275.A OG TYR 271.A O no hydrogen 2.862 N/A PHE 276.A N LEU 272.A O no hydrogen 3.076 N/A ILE 277.A N ALA 273.A O no hydrogen 3.021 N/A GLU 278.A N ASP 274.A O no hydrogen 2.995 N/A GLN 279.A N SER 275.A O no hydrogen 3.002 N/A GLN 279.A N PHE 276.A O no hydrogen 2.837 N/A ASN 280.A N ILE 277.A O no hydrogen 3.090 N/A ARG 281.A N PHE 276.A O no hydrogen 2.848 N/A ARG 281.A NE ASP 284.A OD2 no hydrogen 2.823 N/A ARG 281.A NH1 GLN 279.A OE1 no hydrogen 3.345 N/A ARG 281.A NH2 ASP 284.A OD2 no hydrogen 2.767 N/A ALA 285.A N ARG 281.A O no hydrogen 3.084 N/A ALA 286.A N VAL 282.A O no hydrogen 2.887 N/A LYS 287.A N ASP 283.A O no hydrogen 3.040 N/A VAL 288.A N ASP 284.A O no hydrogen 3.348 N/A PHE 289.A N ALA 285.A O no hydrogen 3.086 N/A GLU 290.A N ALA 286.A O no hydrogen 2.895 N/A LYS 291.A N LYS 287.A O no hydrogen 3.099 N/A LEU 292.A N VAL 288.A O no hydrogen 2.992 N/A SER 293.A N PHE 289.A O no hydrogen 2.957 N/A SER 293.A OG ALA 301.A O no hydrogen 2.771 N/A SER 294.A N GLU 290.A O no hydrogen 2.845 N/A SER 294.A OG GLU 290.A O no hydrogen 3.134 N/A SER 294.A OG GLU 290.A OE2 no hydrogen 2.727 N/A GLU 295.A N LYS 291.A O no hydrogen 2.794 N/A TYR 296.A N LYS 291.A O no hydrogen 3.049 N/A ASP 297.A N LEU 292.A O no hydrogen 2.863 N/A GLN 298.A NE2 GLU 295.A O no hydrogen 3.258 N/A ARG 300.A N ASP 297.A O no hydrogen 3.047 N/A ARG 300.A NH1 ASP 297.A OD2 no hydrogen 3.009 N/A ALA 301.A N GLN 298.A O no hydrogen 2.901 N/A TRP 304.A N ARG 300.A O no hydrogen 3.005 N/A TRP 304.A NE1 ASP 297.A OD2 no hydrogen 2.883 N/A GLU 305.A N ALA 301.A O no hydrogen 2.975 N/A PHE 306.A N GLY 302.A O no hydrogen 2.885 N/A ARG 307.A N TYR 303.A O no hydrogen 2.914 N/A ARG 307.A NH2 ASP 274.A OD1 no hydrogen 2.817 N/A ARG 308.A N TRP 304.A O no hydrogen 2.831 N/A ARG 309.A N GLU 305.A O no hydrogen 3.021 N/A ARG 309.A NE GLU 305.A OE2 no hydrogen 2.707 N/A GLU 310.A N PHE 306.A O no hydrogen 3.116 N/A CYS 311.A N ARG 308.A O no hydrogen 3.150 N/A CYS 311.A SG ARG 307.A O no hydrogen 3.589 N/A