Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3spj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N GLU 282.A OE2 no hydrogen 3.192 N/A ARG 2.A NE VAL 4.A O no hydrogen 3.212 N/A LYS 5.A N GLN 9.A O no hydrogen 2.771 N/A GLY 8.A N LYS 5.A O no hydrogen 2.889 N/A GLN 9.A N ASN 7.A OD1 no hydrogen 3.399 N/A CYS 10.A SG GLY 8.A O no hydrogen 3.899 N/A CYS 10.A SG HIS 171.A NE2 no hydrogen 2.873 N/A ASN 11.A N PHE 3.A O no hydrogen 2.901 N/A ASN 11.A ND2 ASN 285.A O no hydrogen 3.472 N/A GLU 13.A N TYR 287.A O no hydrogen 2.796 N/A THR 15.A N VAL 289.A O no hydrogen 2.916 N/A THR 15.A OG1 VAL 289.A O no hydrogen 2.731 N/A ASN 16.A ND2 ASP 290.A OD1 no hydrogen 2.494 N/A CYS 23.A N PHE 20.A O no hydrogen 2.633 N/A ILE 26.A N CYS 23.A O no hydrogen 2.839 N/A LEU 33.A N ARG 29.A O no hydrogen 3.185 N/A LEU 34.A N TYR 30.A O no hydrogen 2.944 N/A PHE 35.A N MET 31.A O no hydrogen 2.822 N/A SER 36.A N LEU 32.A O no hydrogen 3.037 N/A SER 36.A OG LEU 32.A O no hydrogen 3.139 N/A SER 36.A OG LEU 33.A O no hydrogen 2.750 N/A LEU 37.A N LEU 33.A O no hydrogen 3.079 N/A ALA 38.A N LEU 34.A O no hydrogen 2.787 N/A PHE 39.A N PHE 35.A O no hydrogen 2.870 N/A LEU 40.A N SER 36.A O no hydrogen 3.226 N/A VAL 41.A N LEU 37.A O no hydrogen 2.904 N/A SER 42.A N ALA 38.A O no hydrogen 3.226 N/A SER 42.A OG ALA 38.A O no hydrogen 3.359 N/A SER 42.A OG PHE 39.A O no hydrogen 2.622 N/A TRP 43.A N PHE 39.A O no hydrogen 2.789 N/A LEU 44.A N LEU 40.A O no hydrogen 2.919 N/A LEU 45.A N VAL 41.A O no hydrogen 3.020 N/A PHE 46.A N SER 42.A O no hydrogen 3.136 N/A GLY 47.A N TRP 43.A O no hydrogen 3.098 N/A LEU 48.A N LEU 44.A O no hydrogen 3.064 N/A ILE 49.A N LEU 45.A O no hydrogen 3.125 N/A PHE 50.A N PHE 46.A O no hydrogen 2.895 N/A TRP 51.A N GLY 47.A O no hydrogen 2.820 N/A LEU 52.A N LEU 48.A O no hydrogen 2.742 N/A ILE 53.A N ILE 49.A O no hydrogen 2.883 N/A ALA 54.A N PHE 50.A O no hydrogen 2.937 N/A LEU 55.A N TRP 51.A O no hydrogen 2.889 N/A ILE 56.A N LEU 52.A O no hydrogen 3.031 N/A HIS 57.A N ILE 53.A O no hydrogen 2.897 N/A HIS 57.A ND1 ASP 59.A OD1 no hydrogen 2.828 N/A GLY 58.A N LEU 55.A O no hydrogen 3.246 N/A ASP 59.A N ALA 54.A O no hydrogen 2.815 N/A ASN 62.A N ASP 59.A O no hydrogen 2.896 N/A ASN 62.A ND2 ASP 66.A OD2 no hydrogen 2.860 N/A ASP 66.A N PHE 69.A O no hydrogen 3.020 N/A THR 68.A N ASP 66.A OD1 no hydrogen 2.988 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.922 N/A PHE 69.A N ASP 66.A O no hydrogen 3.184 N/A LYS 70.A NZ GLU 102.A OE1 no hydrogen 3.300 N/A LYS 70.A NZ GLU 102.A OE2 no hydrogen 3.223 N/A CYS 72.A N ASP 59.A OD2 no hydrogen 2.958 N/A CYS 72.A SG ASP 59.A OD2 no hydrogen 3.701 N/A LEU 74.A N CYS 99.A O no hydrogen 2.608 N/A GLN 75.A N PRO 63.A O no hydrogen 2.966 N/A ALA 82.A N GLY 78.A O no hydrogen 2.987 N/A PHE 83.A N PHE 79.A O no hydrogen 2.654 N/A LEU 84.A N VAL 80.A O no hydrogen 3.042 N/A PHE 85.A N ALA 81.A O no hydrogen 3.022 N/A SER 86.A N ALA 82.A O no hydrogen 3.168 N/A SER 86.A OG TRP 43.A O no hydrogen 2.909 N/A ILE 87.A N PHE 83.A O no hydrogen 3.070 N/A GLU 88.A N LEU 84.A O no hydrogen 2.880 N/A THR 89.A N PHE 85.A O no hydrogen 2.942 N/A THR 89.A OG1 PHE 85.A O no hydrogen 2.577 N/A GLN 90.A N SER 86.A O no hydrogen 3.015 N/A GLN 90.A NE2 SER 42.A OG no hydrogen 2.749 N/A THR 91.A N ILE 87.A O no hydrogen 2.787 N/A THR 91.A OG1 ILE 87.A O no hydrogen 2.669 N/A THR 92.A N THR 89.A O no hydrogen 3.132 N/A THR 92.A OG1 THR 91.A O no hydrogen 2.735 N/A ILE 93.A N THR 91.A OG1 no hydrogen 3.054 N/A GLY 94.A N GLU 88.A O no hydrogen 3.030 N/A ARG 98.A NH2 GLU 88.A OE2 no hydrogen 2.492 N/A CYS 99.A SG VAL 100.A O no hydrogen 3.332 N/A THR 101.A N CYS 72.A O no hydrogen 2.978 N/A THR 101.A OG1 PRO 71.A O no hydrogen 2.594 N/A THR 101.A OG1 CYS 72.A O no hydrogen 3.444 N/A GLU 103.A N THR 101.A OG1 no hydrogen 3.276 N/A VAL 108.A N CYS 104.A O no hydrogen 3.105 N/A PHE 109.A N PRO 105.A O no hydrogen 2.760 N/A MET 110.A N LEU 106.A O no hydrogen 2.912 N/A VAL 111.A N ALA 107.A O no hydrogen 2.889 N/A VAL 112.A N VAL 108.A O no hydrogen 2.880 N/A VAL 113.A N PHE 109.A O no hydrogen 2.793 N/A GLN 114.A N MET 110.A O no hydrogen 2.806 N/A GLN 114.A NE2 SER 86.A OG no hydrogen 2.729 N/A GLN 114.A NE2 GLN 90.A OE1 no hydrogen 3.166 N/A SER 115.A N VAL 111.A O no hydrogen 2.828 N/A SER 115.A OG VAL 111.A O no hydrogen 2.955 N/A ILE 116.A N VAL 112.A O no hydrogen 3.357 N/A VAL 117.A N VAL 113.A O no hydrogen 2.992 N/A GLY 118.A N GLN 114.A O no hydrogen 2.936 N/A CYS 119.A N SER 115.A O no hydrogen 3.075 N/A ILE 120.A N ILE 116.A O no hydrogen 2.954 N/A ILE 121.A N VAL 117.A O no hydrogen 2.924 N/A ASP 122.A N GLY 118.A O no hydrogen 3.325 N/A SER 123.A N CYS 119.A O no hydrogen 2.895 N/A SER 123.A OG CYS 119.A O no hydrogen 2.676 N/A PHE 124.A N ILE 120.A O no hydrogen 2.948 N/A MET 125.A N ILE 121.A O no hydrogen 3.010 N/A ILE 126.A N ASP 122.A O no hydrogen 3.056 N/A ILE 126.A N SER 123.A O no hydrogen 3.177 N/A GLY 127.A N SER 123.A O no hydrogen 3.324 N/A ALA 128.A N PHE 124.A O no hydrogen 2.889 N/A ILE 129.A N MET 125.A O no hydrogen 3.119 N/A MET 130.A N GLY 127.A O no hydrogen 2.946 N/A ALA 131.A N GLY 127.A O no hydrogen 2.788 N/A LYS 132.A N ALA 128.A O no hydrogen 2.977 N/A MET 133.A N MET 130.A O no hydrogen 2.836 N/A ALA 134.A N MET 130.A O no hydrogen 3.091 N/A THR 142.A OG1 ASN 166.A OD1 no hydrogen 2.532 N/A LEU 144.A N GLY 165.A O no hydrogen 3.034 N/A SER 146.A N ARG 163.A O no hydrogen 2.811 N/A SER 146.A OG ASN 148.A O no hydrogen 2.588 N/A SER 146.A OG TYR 265.A OH no hydrogen 3.249 N/A HIS 147.A N HIS 295.A ND1 no hydrogen 2.998 N/A VAL 150.A N MET 161.A O no hydrogen 2.602 N/A VAL 151.A N LEU 271.A O no hydrogen 3.171 N/A ALA 152.A N CYS 159.A O no hydrogen 3.045 N/A ARG 154.A N LYS 157.A O no hydrogen 2.909 N/A LYS 157.A N ARG 154.A O no hydrogen 2.919 N/A LYS 157.A NZ GLU 222.A OE2 no hydrogen 3.203 N/A CYS 159.A N ALA 152.A O no hydrogen 2.833 N/A CYS 159.A SG LYS 157.A O no hydrogen 3.177 N/A LEU 160.A N HIS 221.A O no hydrogen 2.979 N/A MET 161.A N VAL 150.A O no hydrogen 2.536 N/A TRP 162.A N ILE 219.A O no hydrogen 3.208 N/A ARG 163.A N SER 146.A OG no hydrogen 2.938 N/A ARG 163.A NH2 GLU 277.A O no hydrogen 2.544 N/A VAL 164.A N ILE 217.A O no hydrogen 2.976 N/A GLY 165.A N LEU 144.A O no hydrogen 2.983 N/A LEU 167.A N THR 142.A O no hydrogen 2.701 N/A ARG 168.A N ASN 166.A OD1 no hydrogen 3.373 N/A HIS 171.A N GLU 253.A OE1 no hydrogen 3.194 N/A VAL 173.A N MET 251.A O no hydrogen 2.984 N/A HIS 176.A N GLU 249.A O no hydrogen 3.118 N/A VAL 177.A N ASP 209.A O no hydrogen 3.126 N/A ARG 178.A N ILE 247.A O no hydrogen 3.048 N/A GLN 180.A N VAL 245.A O no hydrogen 3.021 N/A GLN 180.A NE2 GLN 197.A OE1 no hydrogen 2.972 N/A LEU 181.A N ILE 198.A O no hydrogen 2.762 N/A ILE 182.A N GLU 243.A O no hydrogen 2.690 N/A LYS 183.A N ASP 196.A O no hydrogen 3.135 N/A ARG 185.A N ILE 193.A O no hydrogen 3.003 N/A ARG 185.A NE ASP 196.A OD2 no hydrogen 2.955 N/A THR 187.A N GLU 191.A O no hydrogen 2.678 N/A THR 187.A OG1 GLU 189.A OE1 no hydrogen 3.194 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.743 N/A GLY 190.A N THR 187.A O no hydrogen 2.652 N/A GLU 191.A N THR 187.A OG1 no hydrogen 2.984 N/A ILE 193.A N ARG 185.A O no hydrogen 2.915 N/A ASP 196.A N LYS 183.A O no hydrogen 2.596 N/A ILE 198.A N LEU 181.A O no hydrogen 2.863 N/A ILE 200.A N ALA 179.A O no hydrogen 2.745 N/A GLY 203.A N ASP 201.A OD1 no hydrogen 3.007 N/A LYS 206.A N GLY 203.A O no hydrogen 3.196 N/A LYS 206.A NZ GLY 203.A O no hydrogen 3.499 N/A GLY 207.A N PHE 204.A O no hydrogen 2.673 N/A LEU 208.A N GLY 203.A O no hydrogen 3.013 N/A ARG 210.A N GLY 207.A O no hydrogen 3.269 N/A ARG 210.A NH1 GLY 207.A O no hydrogen 3.093 N/A ILE 211.A N ALA 175.A O no hydrogen 3.138 N/A ILE 217.A N VAL 164.A O no hydrogen 2.856 N/A ILE 219.A N TRP 162.A O no hydrogen 2.722 N/A HIS 221.A N LEU 160.A O no hydrogen 2.871 N/A HIS 221.A ND1 ASP 201.A O no hydrogen 3.014 N/A HIS 221.A NE2 SER 227.A OG no hydrogen 2.673 N/A ILE 223.A N LEU 158.A O no hydrogen 2.983 N/A ASP 226.A N ASN 224.A OD1 no hydrogen 3.240 N/A SER 227.A N ASN 224.A O no hydrogen 2.720 N/A SER 227.A OG HIS 221.A NE2 no hydrogen 2.673 N/A LEU 229.A N SER 227.A OG no hydrogen 3.189 N/A PHE 230.A N SER 227.A O no hydrogen 3.143 N/A ILE 232.A N LEU 229.A O no hydrogen 3.129 N/A SER 233.A N ASP 236.A OD2 no hydrogen 2.696 N/A SER 233.A OG ASP 236.A OD2 no hydrogen 2.795 N/A ARG 234.A N ARG 305.A O no hydrogen 2.862 N/A GLU 238.A N GLN 235.A O no hydrogen 3.033 N/A THR 239.A N ASP 236.A O no hydrogen 3.011 N/A THR 239.A OG1 GLN 235.A O no hydrogen 3.414 N/A ASP 240.A N ASP 236.A O no hydrogen 2.870 N/A GLU 243.A N ILE 182.A O no hydrogen 3.049 N/A ILE 244.A N TYR 265.A O no hydrogen 2.734 N/A VAL 245.A N GLN 180.A O no hydrogen 2.853 N/A VAL 246.A N SER 263.A O no hydrogen 2.963 N/A ILE 247.A N ARG 178.A O no hydrogen 2.940 N/A LEU 248.A N ALA 261.A O no hydrogen 2.945 N/A GLU 249.A N HIS 176.A O no hydrogen 2.948 N/A MET 251.A N VAL 173.A O no hydrogen 3.057 N/A GLU 253.A N HIS 171.A O no hydrogen 3.064 N/A ALA 256.A N VAL 252.A O no hydrogen 2.854 N/A MET 257.A N THR 255.A OG1 no hydrogen 3.026 N/A THR 259.A N GLY 250.A O no hydrogen 2.642 N/A THR 259.A OG1 MET 257.A O no hydrogen 3.276 N/A GLN 260.A NE2 GLU 249.A OE2 no hydrogen 2.969 N/A ALA 261.A N LEU 248.A O no hydrogen 2.861 N/A ARG 262.A NH2 GLN 260.A O no hydrogen 3.454 N/A SER 263.A N VAL 246.A O no hydrogen 3.274 N/A SER 264.A OG GLU 243.A OE1 no hydrogen 2.649 N/A SER 264.A OG ILE 244.A O no hydrogen 3.433 N/A TYR 265.A N ILE 244.A O no hydrogen 2.818 N/A TYR 265.A OH SER 146.A O no hydrogen 2.702 N/A TYR 265.A OH SER 146.A OG no hydrogen 3.249 N/A LEU 266.A N GLU 269.A OE2 no hydrogen 2.856 N/A ALA 267.A N PHE 242.A O no hydrogen 3.112 N/A GLU 269.A N LEU 266.A O no hydrogen 2.638 N/A ILE 270.A N ALA 267.A O no hydrogen 3.220 N/A LEU 271.A N ALA 149.A O no hydrogen 2.976 N/A TRP 272.A NE1 PRO 304.A O no hydrogen 2.845 N/A GLY 273.A N VAL 151.A O no hydrogen 2.608 N/A ARG 275.A N TYR 298.A O no hydrogen 2.910 N/A ARG 275.A NE TYR 298.A OH no hydrogen 2.961 N/A ARG 275.A NH2 TYR 298.A OH no hydrogen 3.385 N/A GLU 277.A N LYS 296.A O no hydrogen 2.840 N/A PHE 281.A N LYS 288.A O no hydrogen 2.889 N/A GLU 283.A N GLN 286.A O no hydrogen 3.099 N/A GLN 286.A N GLU 283.A O no hydrogen 3.268 N/A GLN 286.A NE2 GLU 13.A OE1 no hydrogen 3.063 N/A TYR 287.A N ASN 11.A O no hydrogen 3.230 N/A LYS 288.A N PHE 281.A O no hydrogen 2.817 N/A VAL 289.A N GLU 13.A O no hydrogen 2.767 N/A ASP 290.A N VAL 279.A O no hydrogen 2.678 N/A TYR 291.A N THR 15.A O no hydrogen 3.097 N/A SER 292.A OG ASP 290.A OD1 no hydrogen 3.114 N/A SER 292.A OG ASP 290.A OD2 no hydrogen 2.725 N/A HIS 293.A N ASP 290.A O no hydrogen 3.460 N/A LYS 296.A N HIS 293.A O no hydrogen 3.110 N/A TYR 298.A N ARG 275.A O no hydrogen 2.933 N/A VAL 300.A N GLY 273.A O no hydrogen 2.778 N/A THR 303.A N VAL 300.A O no hydrogen 2.645 N/A THR 303.A OG1 VAL 300.A O no hydrogen 2.727 N/A CYS 306.A SG SER 307.A O no hydrogen 3.753 N/A SER 307.A OG ASP 310.A OD2 no hydrogen 2.749 N/A LYS 309.A NZ GLU 313.A OE2 no hydrogen 2.570 N/A ASP 310.A N SER 307.A OG no hydrogen 3.280 N/A LEU 311.A N SER 307.A O no hydrogen 2.849 N/A VAL 312.A N ALA 308.A O no hydrogen 3.101 N/A GLU 313.A N LYS 309.A O no hydrogen 3.106 N/A ASN 314.A N ASP 310.A O no hydrogen 2.875 N/A LYS 315.A N LEU 311.A O no hydrogen 3.425 N/A PHE 316.A N GLU 313.A O no hydrogen 3.152 N/A LEU 317.A N ASN 314.A O no hydrogen 3.049 N/A LEU 318.A N ASN 314.A O no hydrogen 3.151 N/A SER 319.A N PHE 316.A O no hydrogen 3.013 N/A ASN 320.A N PHE 316.A O no hydrogen 2.593 N/A SER 321.A N LEU 317.A O no hydrogen 3.240 N/A SER 321.A OG LEU 317.A O no hydrogen 2.760 N/A