Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N TYR 331.A O no hydrogen 2.890 N/A TYR 4.A OH GLU 160.A OE1 no hydrogen 2.585 N/A PHE 5.A N PHE 329.A O no hydrogen 2.869 N/A PHE 7.A N PRO 327.A O no hydrogen 3.098 N/A GLY 9.A N GLN 6.A O no hydrogen 3.362 N/A TYR 10.A N PHE 7.A O no hydrogen 3.462 N/A SER 12.A N GLN 15.A OE1 no hydrogen 2.969 N/A GLN 15.A N SER 12.A OG no hydrogen 3.081 N/A ASN 16.A N SER 12.A O no hydrogen 2.934 N/A MET 17.A N GLN 13.A O no hydrogen 2.998 N/A MET 18.A N GLN 14.A O no hydrogen 2.760 N/A GLN 19.A N GLN 15.A O no hydrogen 2.819 N/A ASP 20.A N ASN 16.A O no hydrogen 3.110 N/A TYR 21.A N MET 17.A O no hydrogen 3.084 N/A VAL 22.A N MET 18.A O no hydrogen 3.129 N/A ARG 23.A N GLN 19.A O no hydrogen 3.153 N/A THR 24.A N ASP 20.A O no hydrogen 3.026 N/A THR 24.A OG1 ASP 20.A O no hydrogen 2.661 N/A THR 24.A OG1 TYR 21.A O no hydrogen 3.105 N/A GLY 25.A N TYR 21.A O no hydrogen 2.984 N/A THR 26.A N VAL 22.A O no hydrogen 3.048 N/A TYR 27.A N ARG 23.A O no hydrogen 3.046 N/A GLN 28.A N THR 24.A O no hydrogen 2.921 N/A GLN 28.A NE2 GLN 59.A OE1 no hydrogen 2.735 N/A ARG 29.A N GLY 25.A O no hydrogen 3.253 N/A ALA 30.A N THR 26.A O no hydrogen 3.204 N/A ILE 31.A N TYR 27.A O no hydrogen 2.942 N/A LEU 32.A N GLN 28.A O no hydrogen 2.813 N/A GLN 33.A N ARG 29.A O no hydrogen 2.839 N/A ASN 34.A N ALA 30.A O no hydrogen 3.205 N/A ASN 34.A ND2 MET 255.A O no hydrogen 3.263 N/A HIS 35.A N LEU 32.A O no hydrogen 3.052 N/A ASP 37.A N ASN 34.A O no hydrogen 2.799 N/A PHE 38.A N HIS 35.A O no hydrogen 2.988 N/A LYS 39.A N HIS 35.A O no hydrogen 2.775 N/A ASP 40.A N GLY 61.A O no hydrogen 2.906 N/A LYS 41.A N PHE 38.A O no hydrogen 3.066 N/A ILE 42.A N ASP 107.A OD2 no hydrogen 2.687 N/A VAL 43.A N LYS 64.A O no hydrogen 2.948 N/A LEU 44.A N ILE 108.A O no hydrogen 2.890 N/A ASP 45.A N TYR 66.A O no hydrogen 2.751 N/A VAL 46.A N ILE 110.A O no hydrogen 2.881 N/A GLY 47.A N VAL 68.A O no hydrogen 2.703 N/A ILE 52.A N GLY 49.A O no hydrogen 3.452 N/A SER 54.A N GLY 51.A O no hydrogen 2.799 N/A SER 54.A OG ASP 45.A OD2 no hydrogen 2.673 N/A PHE 55.A N ILE 52.A O no hydrogen 2.930 N/A PHE 56.A N ILE 52.A O no hydrogen 3.318 N/A ALA 57.A N LEU 53.A O no hydrogen 2.829 N/A ALA 58.A N SER 54.A O no hydrogen 2.919 N/A GLN 59.A N PHE 55.A O no hydrogen 2.898 N/A ALA 60.A N PHE 56.A O no hydrogen 2.959 N/A GLY 61.A N ALA 58.A O no hydrogen 2.766 N/A ALA 62.A N ALA 57.A O no hydrogen 3.005 N/A ARG 63.A N LYS 41.A O no hydrogen 3.001 N/A LYS 64.A N LYS 41.A O no hydrogen 3.418 N/A ILE 65.A N ARG 89.A O no hydrogen 2.758 N/A TYR 66.A N VAL 43.A O no hydrogen 2.798 N/A TYR 66.A OH GLU 104.A OE2 no hydrogen 2.645 N/A ALA 67.A N VAL 91.A O no hydrogen 2.873 N/A VAL 68.A N ASP 45.A O no hydrogen 2.941 N/A GLU 69.A N ILE 93.A O no hydrogen 3.257 N/A ALA 74.A N ALA 70.A O no hydrogen 2.867 N/A GLN 75.A N THR 72.A O no hydrogen 3.218 N/A GLN 75.A NE2 SER 71.A O no hydrogen 3.495 N/A ALA 77.A N MET 73.A O no hydrogen 3.150 N/A GLU 78.A N ALA 74.A O no hydrogen 2.943 N/A VAL 79.A N GLN 75.A O no hydrogen 2.935 N/A LEU 80.A N HIS 76.A O no hydrogen 2.987 N/A VAL 81.A N ALA 77.A O no hydrogen 2.800 N/A LYS 82.A N GLU 78.A O no hydrogen 3.305 N/A SER 83.A N VAL 79.A O no hydrogen 3.122 N/A ASN 84.A N LEU 80.A O no hydrogen 3.074 N/A ASN 84.A ND2 LEU 80.A O no hydrogen 2.790 N/A ASN 85.A N LYS 82.A O no hydrogen 3.130 N/A LEU 86.A N VAL 81.A O no hydrogen 2.987 N/A ARG 89.A N LEU 86.A O no hydrogen 2.777 N/A ARG 89.A NH1 ALA 58.A O no hydrogen 2.949 N/A ARG 89.A NH1 ALA 62.A O no hydrogen 2.769 N/A ARG 89.A NH2 ALA 58.A O no hydrogen 3.298 N/A ILE 90.A N LEU 86.A O no hydrogen 2.763 N/A VAL 91.A N ILE 65.A O no hydrogen 2.784 N/A ILE 93.A N ALA 67.A O no hydrogen 2.710 N/A GLY 95.A N GLU 69.A O no hydrogen 2.879 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.356 N/A GLN 105.A NE2 LYS 132.A O no hydrogen 3.131 N/A VAL 106.A N TYR 133.A O no hydrogen 2.791 N/A ASP 107.A N ILE 42.A O no hydrogen 2.803 N/A ILE 108.A N ILE 42.A O no hydrogen 3.235 N/A ILE 109.A N ASN 139.A O no hydrogen 3.118 N/A ILE 110.A N LEU 44.A O no hydrogen 2.723 N/A SER 111.A N PHE 141.A O no hydrogen 2.857 N/A SER 111.A OG VAL 46.A O no hydrogen 3.447 N/A MET 114.A N GLU 112.A O no hydrogen 2.972 N/A MET 117.A N MET 114.A O no hydrogen 2.937 N/A LEU 118.A N MET 114.A O no hydrogen 3.334 N/A PHE 119.A N GLY 115.A O no hydrogen 3.025 N/A ARG 122.A N ASN 120.A OD1 no hydrogen 3.055 N/A LEU 124.A N ASN 120.A O no hydrogen 3.248 N/A GLU 125.A N GLU 121.A O no hydrogen 2.785 N/A SER 126.A N ARG 122.A O no hydrogen 3.185 N/A SER 126.A OG ARG 122.A O no hydrogen 2.911 N/A TYR 127.A N MET 123.A O no hydrogen 3.050 N/A TYR 127.A OH PRO 142.A O no hydrogen 2.729 N/A LEU 128.A N LEU 124.A O no hydrogen 2.879 N/A HIS 129.A N GLU 125.A O no hydrogen 2.646 N/A HIS 129.A NE2 GLU 219.A OE2 no hydrogen 2.860 N/A ALA 130.A N SER 126.A O no hydrogen 2.919 N/A ALA 130.A N TYR 127.A O no hydrogen 3.280 N/A LYS 131.A N LEU 128.A O no hydrogen 3.149 N/A LYS 131.A NZ PHE 214.A O no hydrogen 2.640 N/A LYS 131.A NZ LEU 215.A O no hydrogen 3.075 N/A LYS 131.A NZ ALA 217.A O no hydrogen 2.691 N/A LYS 132.A N HIS 129.A O no hydrogen 3.123 N/A TYR 133.A N ALA 130.A O no hydrogen 2.924 N/A LEU 134.A N LYS 131.A O no hydrogen 2.955 N/A LYS 135.A N VAL 106.A O no hydrogen 2.967 N/A LYS 135.A NZ ASP 107.A OD1 no hydrogen 3.204 N/A GLY 138.A N LYS 135.A O no hydrogen 2.745 N/A ASN 139.A N ASP 107.A O no hydrogen 2.942 N/A ASN 139.A ND2 ASP 37.A OD2 no hydrogen 3.178 N/A ASN 139.A ND2 ILE 251.A O no hydrogen 3.342 N/A MET 140.A N ASN 139.A OD1 no hydrogen 2.961 N/A PHE 141.A N ILE 109.A O no hydrogen 2.895 N/A THR 143.A N ALA 249.A O no hydrogen 2.687 N/A THR 143.A OG1 MET 140.A O no hydrogen 2.651 N/A THR 143.A OG1 ALA 249.A O no hydrogen 3.540 N/A ILE 144.A N ALA 249.A O no hydrogen 3.314 N/A GLY 145.A N VAL 212.A O no hydrogen 2.728 N/A ASP 146.A N ASP 247.A O no hydrogen 2.644 N/A VAL 147.A N TYR 210.A O no hydrogen 2.800 N/A HIS 148.A N TRP 245.A O no hydrogen 2.824 N/A LEU 149.A N VAL 208.A O no hydrogen 2.980 N/A ALA 150.A N ALA 243.A O no hydrogen 3.028 N/A PHE 152.A N GLY 241.A O no hydrogen 2.958 N/A THR 153.A N ILE 202.A O no hydrogen 3.099 N/A THR 153.A OG1 LEU 238.A O no hydrogen 2.660 N/A ASP 154.A N HIS 240.A ND1 no hydrogen 2.781 N/A GLN 156.A NE2 GLU 160.A OE2 no hydrogen 3.451 N/A LEU 157.A N ASP 154.A OD1 no hydrogen 2.976 N/A TYR 158.A N ASP 154.A O no hydrogen 3.189 N/A TYR 158.A OH GLN 278.A O no hydrogen 2.597 N/A MET 159.A N GLU 155.A O no hydrogen 2.909 N/A GLU 160.A N GLN 156.A O no hydrogen 3.029 N/A GLN 161.A N TYR 158.A O no hydrogen 3.312 N/A GLN 161.A NE2 TYR 4.A OH no hydrogen 3.291 N/A GLN 161.A NE2 LEU 157.A O no hydrogen 2.882 N/A THR 163.A N MET 159.A O no hydrogen 3.039 N/A LYS 164.A N GLU 160.A O no hydrogen 2.961 N/A LYS 164.A NZ GLN 161.A OE1 no hydrogen 2.871 N/A ALA 165.A N GLN 161.A O no hydrogen 3.326 N/A ASN 166.A N PHE 162.A O no hydrogen 2.778 N/A PHE 167.A N THR 163.A O no hydrogen 3.005 N/A TRP 168.A N LYS 164.A O no hydrogen 3.296 N/A TRP 168.A N ALA 165.A O no hydrogen 3.259 N/A TYR 169.A N ALA 165.A O no hydrogen 2.849 N/A GLN 170.A N ASN 166.A O no hydrogen 3.214 N/A PHE 173.A N VAL 176.A O no hydrogen 2.668 N/A VAL 176.A N PHE 173.A O no hydrogen 2.970 N/A SER 179.A N ASP 177.A OD1 no hydrogen 3.022 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.730 N/A LEU 181.A N LEU 178.A O no hydrogen 2.902 N/A ARG 182.A N SER 179.A O no hydrogen 2.839 N/A ARG 182.A NE ASN 166.A OD1 no hydrogen 2.981 N/A ALA 185.A N LEU 181.A O no hydrogen 2.870 N/A VAL 186.A N ARG 182.A O no hydrogen 2.863 N/A ASP 187.A N GLY 183.A O no hydrogen 2.887 N/A GLU 188.A N ALA 184.A O no hydrogen 3.030 N/A TYR 189.A N ALA 185.A O no hydrogen 2.904 N/A PHE 190.A N VAL 186.A O no hydrogen 3.069 N/A ARG 191.A N GLU 188.A O no hydrogen 2.928 N/A ARG 191.A NH1 LEU 321.A O no hydrogen 2.892 N/A ARG 191.A NH2 ASP 187.A OD1 no hydrogen 3.275 N/A ARG 191.A NH2 ASP 187.A OD2 no hydrogen 3.326 N/A GLN 192.A N TYR 189.A O no hydrogen 3.057 N/A VAL 194.A N ARG 274.A O no hydrogen 2.993 N/A VAL 195.A N PHE 328.A O no hydrogen 2.758 N/A ASP 199.A N ASP 199.A OD1 no hydrogen 2.395 N/A ILE 200.A N PHE 198.A O no hydrogen 3.166 N/A ARG 201.A N ASP 199.A O no hydrogen 2.083 N/A LEU 203.A N ILE 200.A O no hydrogen 3.194 N/A MET 204.A N PRO 151.A O no hydrogen 2.920 N/A VAL 208.A N LEU 149.A O no hydrogen 2.927 N/A TYR 210.A N VAL 147.A O no hydrogen 2.786 N/A THR 211.A OG1 ASP 146.A OD1 no hydrogen 3.066 N/A VAL 212.A N GLY 145.A O no hydrogen 2.660 N/A PHE 214.A N THR 143.A O no hydrogen 2.967 N/A GLU 216.A N ASN 213.A O no hydrogen 3.171 N/A GLU 216.A N ASN 213.A OD1 no hydrogen 3.134 N/A LYS 218.A N ASP 221.A OD2 no hydrogen 2.790 N/A ASP 221.A N LYS 218.A O no hydrogen 3.132 N/A HIS 223.A N GLY 220.A O no hydrogen 3.298 N/A HIS 223.A ND1 GLU 121.A OE1 no hydrogen 3.190 N/A ILE 225.A N LEU 295.A O no hydrogen 2.847 N/A ILE 227.A N CYS 293.A O no hydrogen 2.749 N/A PHE 229.A N GLY 291.A O no hydrogen 2.805 N/A PHE 231.A N LEU 289.A O no hydrogen 2.754 N/A MET 233.A N ASP 287.A O no hydrogen 2.939 N/A LEU 234.A N MET 204.A O no hydrogen 2.988 N/A GLY 237.A N ALA 283.A O no hydrogen 3.019 N/A VAL 239.A N LEU 281.A O no hydrogen 2.826 N/A HIS 240.A N PHE 152.A O no hydrogen 2.807 N/A LEU 242.A N CYS 275.A O no hydrogen 3.090 N/A ALA 243.A N ALA 150.A O no hydrogen 2.738 N/A PHE 244.A N VAL 273.A O no hydrogen 2.629 N/A TRP 245.A N HIS 148.A O no hydrogen 2.902 N/A PHE 246.A N TYR 271.A O no hydrogen 2.732 N/A ASP 247.A N ASP 146.A O no hydrogen 2.980 N/A VAL 248.A N SER 260.A OG no hydrogen 3.028 N/A ALA 249.A N ILE 144.A O no hydrogen 3.113 N/A PHE 250.A N VAL 257.A O no hydrogen 2.909 N/A ILE 251.A N THR 143.A OG1 no hydrogen 2.993 N/A SER 253.A N ASP 37.A OD1 no hydrogen 2.970 N/A SER 253.A N ASP 37.A OD2 no hydrogen 3.370 N/A SER 253.A OG ASP 37.A OD1 no hydrogen 2.539 N/A SER 253.A OG ASP 37.A OD2 no hydrogen 3.251 N/A VAL 257.A N PHE 250.A O no hydrogen 3.021 N/A LEU 259.A N VAL 248.A O no hydrogen 2.767 N/A THR 264.A OG1 PRO 263.A O no hydrogen 2.674 N/A TRP 270.A N SER 260.A O no hydrogen 3.254 N/A TYR 271.A OH PRO 113.A O no hydrogen 2.846 N/A GLN 272.A NE2 HIS 269.A O no hydrogen 3.183 N/A VAL 273.A N PHE 244.A O no hydrogen 2.792 N/A ARG 274.A N VAL 194.A O no hydrogen 2.927 N/A ARG 274.A NH2 ASP 154.A OD2 no hydrogen 2.454 N/A CYS 275.A N LEU 242.A O no hydrogen 2.942 N/A PHE 277.A N HIS 240.A O no hydrogen 2.782 N/A GLN 278.A NE2 ASP 187.A OD1 no hydrogen 2.626 N/A GLN 278.A NE2 ASN 320.A OD1 no hydrogen 2.952 N/A SER 279.A N SER 318.A OG no hydrogen 3.413 N/A LEU 281.A N VAL 239.A O no hydrogen 3.029 N/A ALA 283.A N GLY 237.A O no hydrogen 3.135 N/A LYS 284.A N ASP 287.A OD2 no hydrogen 2.723 N/A ALA 285.A N SER 236.A OG no hydrogen 2.920 N/A GLY 286.A N MET 233.A O no hydrogen 2.812 N/A ASP 287.A N LYS 284.A O no hydrogen 3.021 N/A THR 288.A N GLN 313.A OE1 no hydrogen 3.116 N/A LEU 289.A N PHE 231.A O no hydrogen 3.032 N/A SER 290.A N GLN 310.A O no hydrogen 2.909 N/A SER 290.A OG ASP 312.A OD1 no hydrogen 2.650 N/A GLY 291.A N PHE 229.A O no hydrogen 3.092 N/A THR 292.A N VAL 308.A O no hydrogen 3.120 N/A THR 292.A OG1 GLU 226.A OE2 no hydrogen 3.547 N/A CYS 293.A N ILE 227.A O no hydrogen 2.854 N/A LEU 294.A N SER 306.A O no hydrogen 2.832 N/A LEU 295.A N ILE 225.A O no hydrogen 3.044 N/A ILE 296.A N ASP 304.A O no hydrogen 2.950 N/A ALA 297.A N HIS 223.A O no hydrogen 3.033 N/A ASN 298.A N SER 302.A O no hydrogen 2.785 N/A ASN 298.A ND2 ASP 304.A OD1 no hydrogen 2.772 N/A ASN 298.A ND2 ASP 323.A OD1 no hydrogen 3.137 N/A ARG 300.A N ASN 298.A OD1 no hydrogen 2.934 N/A ARG 300.A NE ASP 323.A OD2 no hydrogen 3.191 N/A ARG 300.A NH2 ASP 323.A OD2 no hydrogen 2.750 N/A SER 302.A N ASN 298.A OD1 no hydrogen 3.054 N/A SER 302.A OG ASP 323.A OD1 no hydrogen 3.126 N/A TYR 303.A OH LEU 222.A O no hydrogen 2.625 N/A ASP 304.A N ILE 296.A O no hydrogen 2.664 N/A ILE 305.A N LEU 322.A O no hydrogen 2.706 N/A SER 306.A N LEU 294.A O no hydrogen 2.848 N/A ILE 307.A N ASN 320.A O no hydrogen 2.924 N/A VAL 308.A N THR 292.A O no hydrogen 3.019 N/A ALA 309.A N SER 318.A O no hydrogen 2.938 N/A GLN 310.A N SER 290.A O no hydrogen 2.800 N/A VAL 311.A N SER 316.A O no hydrogen 2.872 N/A ASP 312.A N THR 288.A O no hydrogen 2.977 N/A THR 314.A N VAL 311.A O no hydrogen 3.189 N/A GLY 315.A N VAL 311.A O no hydrogen 2.809 N/A SER 318.A N ALA 309.A O no hydrogen 2.928 N/A SER 318.A OG SER 279.A O no hydrogen 2.720 N/A ASN 320.A N ILE 307.A O no hydrogen 2.923 N/A ASN 320.A ND2 PHE 190.A O no hydrogen 2.954 N/A ASN 320.A ND2 LEU 276.A O no hydrogen 2.582 N/A LEU 321.A N ASN 320.A OD1 no hydrogen 2.800 N/A LEU 322.A N ILE 305.A O no hydrogen 2.816 N/A LEU 324.A N TYR 303.A O no hydrogen 3.036 N/A LYS 325.A N ASP 323.A OD1 no hydrogen 2.747 N/A LYS 325.A NZ ARG 300.A O no hydrogen 2.872 N/A PHE 328.A N PRO 193.A O no hydrogen 3.023 N/A PHE 329.A N PHE 5.A O no hydrogen 2.532 N/A ARG 330.A N VAL 195.A O no hydrogen 2.937 N/A ARG 330.A NE GLU 160.A OE1 no hydrogen 2.730 N/A ARG 330.A NH2 GLU 160.A OE1 no hydrogen 3.010 N/A ARG 330.A NH2 GLU 160.A OE2 no hydrogen 2.523 N/A TYR 331.A N GLN 3.A O no hydrogen 2.854 N/A