Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLN 8.A OE1 no hydrogen 2.810 N/A TYR 5.A N SER 3.A OG no hydrogen 2.890 N/A TYR 5.A OH GLU 310.A OE1 no hydrogen 2.776 N/A ALA 6.A N ASP 302.A OD1 no hydrogen 2.724 N/A CYS 7.A SG ASP 302.A O no hydrogen 3.749 N/A GLN 8.A N TYR 5.A O no hydrogen 2.971 N/A ARG 9.A N ALA 6.A O no hydrogen 3.140 N/A ARG 9.A NH1 SER 3.A O no hydrogen 3.016 N/A THR 11.A N GLU 350.A O no hydrogen 2.895 N/A ASN 17.A N ASN 15.A OD1 no hydrogen 2.900 N/A ASN 17.A ND2 LEU 50.A O no hydrogen 3.435 N/A ASN 17.A ND2 PHE 55.A O no hydrogen 3.033 N/A GLN 18.A NE2 ASP 22.A OD1 no hydrogen 3.058 N/A PHE 20.A N ASN 17.A O no hydrogen 3.053 N/A THR 21.A N ASN 17.A O no hydrogen 2.900 N/A THR 21.A OG1 SER 47.A O no hydrogen 3.363 N/A ASP 22.A N GLN 18.A O no hydrogen 2.860 N/A LEU 24.A N PHE 20.A O no hydrogen 2.980 N/A ASP 25.A N THR 21.A O no hydrogen 2.834 N/A ILE 26.A N ASP 22.A O no hydrogen 3.123 N/A LEU 27.A N ALA 23.A O no hydrogen 3.080 N/A ALA 28.A N LEU 24.A O no hydrogen 2.888 N/A GLU 29.A N ASP 25.A O no hydrogen 2.988 N/A ASN 30.A N ILE 26.A O no hydrogen 2.936 N/A ASP 31.A N LEU 27.A O no hydrogen 3.079 N/A GLU 32.A N ALA 28.A O no hydrogen 3.006 N/A LEU 33.A N GLU 29.A O no hydrogen 3.052 N/A ARG 34.A N ASN 30.A O no hydrogen 2.870 N/A GLU 35.A N GLU 32.A O no hydrogen 3.156 N/A ASN 36.A N ASP 31.A O no hydrogen 2.672 N/A SER 39.A OG ASP 31.A OD2 no hydrogen 3.038 N/A CYS 40.A N ASN 36.A O no hydrogen 3.087 N/A CYS 40.A SG ALA 28.A O no hydrogen 3.314 N/A CYS 40.A SG GLU 32.A OE2 no hydrogen 3.334 N/A LEU 41.A N GLU 37.A O no hydrogen 2.976 N/A ALA 42.A N GLY 38.A O no hydrogen 3.155 N/A PHE 43.A N SER 39.A O no hydrogen 3.080 N/A MET 44.A N CYS 40.A O no hydrogen 2.934 N/A ARG 45.A N LEU 41.A O no hydrogen 3.018 N/A ALA 46.A N ALA 42.A O no hydrogen 3.287 N/A SER 47.A N PHE 43.A O no hydrogen 2.942 N/A SER 47.A OG ASP 25.A OD1 no hydrogen 2.633 N/A SER 48.A N MET 44.A O no hydrogen 2.951 N/A SER 48.A OG ALA 353.A OXT no hydrogen 2.723 N/A VAL 49.A N ARG 45.A O no hydrogen 3.075 N/A LEU 50.A N ALA 46.A O no hydrogen 3.208 N/A LYS 51.A N SER 47.A O no hydrogen 3.081 N/A LYS 51.A NZ ASP 25.A OD1 no hydrogen 3.559 N/A LYS 51.A NZ ASP 25.A OD2 no hydrogen 3.269 N/A SER 52.A N VAL 49.A O no hydrogen 3.116 N/A SER 52.A OG VAL 49.A O no hydrogen 2.706 N/A LEU 53.A N LEU 50.A O no hydrogen 3.132 N/A ILE 57.A N ASN 17.A OD1 no hydrogen 2.790 N/A SER 59.A OG ASP 62.A OD1 no hydrogen 2.854 N/A ASP 62.A N SER 59.A O no hydrogen 3.164 N/A THR 63.A N MET 60.A O no hydrogen 3.039 N/A THR 63.A OG1 MET 60.A O no hydrogen 2.704 N/A GLU 64.A N LYS 61.A O no hydrogen 3.162 N/A ILE 66.A N THR 63.A O no hydrogen 3.156 N/A CYS 68.A SG GLN 4.A O no hydrogen 3.815 N/A LYS 74.A N GLY 70.A O no hydrogen 2.921 N/A SER 75.A N ASP 71.A O no hydrogen 2.985 N/A ILE 76.A N LYS 72.A O no hydrogen 3.228 N/A ILE 77.A N VAL 73.A O no hydrogen 2.981 N/A GLU 78.A N LYS 74.A O no hydrogen 2.923 N/A GLY 79.A N SER 75.A O no hydrogen 3.093 N/A ILE 80.A N ILE 76.A O no hydrogen 3.145 N/A ILE 81.A N ILE 77.A O no hydrogen 3.001 N/A GLU 82.A N GLU 78.A O no hydrogen 3.053 N/A ASP 83.A N GLY 79.A O no hydrogen 3.486 N/A GLY 84.A N ILE 80.A O no hydrogen 2.713 N/A GLU 85.A N ASP 83.A OD1 no hydrogen 3.274 N/A SER 86.A OG GLU 88.A OE2 no hydrogen 3.019 N/A GLU 88.A N GLU 88.A OE2 no hydrogen 2.903 N/A ALA 89.A N SER 86.A OG no hydrogen 3.133 N/A LYS 90.A N SER 86.A O no hydrogen 2.987 N/A ALA 91.A N SER 87.A O no hydrogen 3.075 N/A VAL 92.A N GLU 88.A O no hydrogen 3.262 N/A LEU 93.A N ALA 89.A O no hydrogen 3.025 N/A ASN 94.A N LYS 90.A O no hydrogen 3.273 N/A ASP 95.A N VAL 92.A O no hydrogen 3.049 N/A TYR 98.A N ASP 95.A OD2 no hydrogen 2.867 N/A TYR 98.A OH GLU 29.A OE2 no hydrogen 2.919 N/A LYS 99.A N ASP 95.A O no hydrogen 3.012 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 2.703 N/A SER 100.A N GLU 96.A O no hydrogen 3.056 N/A SER 100.A OG GLU 96.A O no hydrogen 3.068 N/A PHE 101.A N ARG 97.A O no hydrogen 2.914 N/A LYS 102.A N TYR 98.A O no hydrogen 2.982 N/A LEU 103.A N LYS 99.A O no hydrogen 3.000 N/A PHE 104.A N SER 100.A O no hydrogen 2.823 N/A THR 105.A N PHE 101.A O no hydrogen 2.983 N/A THR 105.A OG1 PHE 101.A O no hydrogen 2.920 N/A SER 106.A N LEU 103.A O no hydrogen 3.367 N/A SER 106.A OG LEU 103.A O no hydrogen 2.715 N/A SER 106.A OG TYR 148.A OH no hydrogen 2.596 N/A VAL 107.A N PHE 104.A O no hydrogen 3.192 N/A VAL 110.A N VAL 107.A O no hydrogen 3.184 N/A ALA 115.A N GLY 111.A O no hydrogen 2.987 N/A GLU 116.A N LEU 112.A O no hydrogen 2.975 N/A LYS 117.A N LYS 113.A O no hydrogen 3.012 N/A TRP 118.A N THR 114.A O no hydrogen 2.961 N/A PHE 119.A N ALA 115.A O no hydrogen 3.009 N/A ARG 120.A N GLU 116.A O no hydrogen 3.042 N/A MET 121.A N LYS 117.A O no hydrogen 3.078 N/A MET 121.A N TRP 118.A O no hydrogen 3.190 N/A GLY 122.A N PHE 119.A O no hydrogen 2.962 N/A PHE 123.A N TRP 118.A O no hydrogen 3.056 N/A ARG 124.A NH2 PHE 119.A O no hydrogen 2.954 N/A ARG 124.A NH2 PHE 123.A O no hydrogen 2.846 N/A LYS 128.A N THR 125.A OG1 no hydrogen 3.329 N/A ILE 129.A N THR 125.A O no hydrogen 3.326 N/A GLN 130.A N LEU 126.A O no hydrogen 2.904 N/A GLN 130.A NE2 LEU 126.A O no hydrogen 3.370 N/A SER 131.A N SER 127.A O no hydrogen 3.147 N/A SER 131.A OG SER 127.A O no hydrogen 2.733 N/A ASP 132.A N ILE 129.A O no hydrogen 3.275 N/A SER 134.A N ASP 132.A OD1 no hydrogen 2.920 N/A LEU 135.A N ASP 132.A OD1 no hydrogen 3.180 N/A THR 138.A N GLN 141.A OE1 no hydrogen 3.019 N/A GLN 141.A N THR 138.A OG1 no hydrogen 3.313 N/A GLN 141.A NE2 GLY 109.A O no hydrogen 3.075 N/A LYS 142.A N THR 138.A O no hydrogen 2.992 N/A ALA 143.A N GLN 139.A O no hydrogen 3.173 N/A GLY 144.A N MET 140.A O no hydrogen 2.849 N/A PHE 145.A N GLN 141.A O no hydrogen 2.768 N/A LEU 146.A N LYS 142.A O no hydrogen 2.886 N/A TYR 147.A N ALA 143.A O no hydrogen 2.993 N/A TYR 148.A N PHE 145.A O no hydrogen 3.438 N/A TYR 148.A OH SER 106.A OG no hydrogen 2.596 N/A LEU 151.A N TYR 147.A O no hydrogen 3.017 N/A VAL 152.A N TYR 148.A O no hydrogen 2.861 N/A SER 153.A N GLU 149.A O no hydrogen 3.247 N/A VAL 155.A N GLY 193.A O no hydrogen 2.887 N/A ASN 156.A N GLU 159.A OE1 no hydrogen 3.122 N/A GLU 159.A N ASN 156.A OD1 no hydrogen 3.037 N/A ALA 160.A N ASN 156.A O no hydrogen 2.968 N/A GLU 161.A N ARG 157.A O no hydrogen 2.849 N/A ALA 162.A N PRO 158.A O no hydrogen 3.066 N/A VAL 163.A N GLU 159.A O no hydrogen 2.944 N/A SER 164.A N ALA 160.A O no hydrogen 2.901 N/A MET 165.A N GLU 161.A O no hydrogen 3.098 N/A LEU 166.A N ALA 162.A O no hydrogen 3.282 N/A VAL 167.A N VAL 163.A O no hydrogen 2.949 N/A LYS 168.A N SER 164.A O no hydrogen 2.877 N/A GLU 169.A N MET 165.A O no hydrogen 2.893 N/A ALA 170.A N LEU 166.A O no hydrogen 3.075 N/A VAL 171.A N VAL 167.A O no hydrogen 2.921 N/A VAL 172.A N LYS 168.A O no hydrogen 3.010 N/A THR 173.A N ALA 170.A O no hydrogen 3.330 N/A THR 173.A OG1 GLU 169.A O no hydrogen 2.631 N/A PHE 174.A N VAL 171.A O no hydrogen 3.092 N/A LEU 175.A N VAL 171.A O no hydrogen 2.871 N/A ALA 178.A N LEU 175.A O no hydrogen 3.112 N/A LEU 179.A N THR 201.A O no hydrogen 2.755 N/A THR 181.A N LEU 199.A O no hydrogen 2.875 N/A THR 183.A N ASP 197.A O no hydrogen 2.823 N/A GLY 184.A N TRP 293.A O no hydrogen 2.915 N/A ARG 187.A N GLY 184.A O no hydrogen 3.136 N/A ARG 187.A NH1 THR 294.A OG1 no hydrogen 2.878 N/A ARG 187.A NH1 GLU 334.A OE1 no hydrogen 3.170 N/A ARG 187.A NH1 GLU 334.A OE2 no hydrogen 3.268 N/A ARG 187.A NH2 GLU 334.A OE1 no hydrogen 3.259 N/A ARG 188.A N GLY 185.A O no hydrogen 2.960 N/A ARG 188.A NE ASN 352.A OD1 no hydrogen 2.959 N/A ARG 188.A NH2 THR 294.A O no hydrogen 2.736 N/A GLY 189.A N PHE 186.A O no hydrogen 3.096 N/A LYS 190.A N GLY 185.A O no hydrogen 3.116 N/A GLY 193.A N VAL 155.A O no hydrogen 2.995 N/A VAL 196.A N ARG 275.A O no hydrogen 3.025 N/A PHE 198.A N ASP 277.A O no hydrogen 2.933 N/A LEU 199.A N THR 181.A O no hydrogen 2.816 N/A ILE 200.A N VAL 279.A O no hydrogen 2.722 N/A THR 201.A N LEU 179.A O no hydrogen 3.002 N/A THR 201.A OG1 CYS 281.A O no hydrogen 2.926 N/A SER 202.A OG ASP 177.A OD1 no hydrogen 2.825 N/A SER 202.A OG ASP 177.A OD2 no hydrogen 3.094 N/A GLU 204.A N ASP 177.A OD2 no hydrogen 3.034 N/A ALA 205.A N SER 202.A OG no hydrogen 3.127 N/A THR 206.A N GLU 209.A OE1 no hydrogen 3.182 N/A GLU 209.A N THR 206.A OG1 no hydrogen 3.114 N/A GLU 210.A N THR 206.A O no hydrogen 3.008 N/A GLN 211.A N GLU 207.A O no hydrogen 3.196 N/A GLN 211.A NE2 HIS 215.A NE2 no hydrogen 3.496 N/A GLN 211.A NE2 GLU 234.A OE1 no hydrogen 2.754 N/A GLN 212.A N ASP 208.A O no hydrogen 2.980 N/A GLN 212.A NE2 GLN 211.A OE1 no hydrogen 2.829 N/A LEU 213.A N GLU 209.A O no hydrogen 3.186 N/A LYS 216.A N GLN 212.A O no hydrogen 2.978 N/A VAL 217.A N LEU 213.A O no hydrogen 2.912 N/A THR 218.A N LEU 214.A O no hydrogen 3.081 N/A THR 218.A OG1 LEU 214.A O no hydrogen 2.632 N/A THR 218.A OG1 HIS 215.A O no hydrogen 3.244 N/A ASP 219.A N HIS 215.A O no hydrogen 3.001 N/A PHE 220.A N LYS 216.A O no hydrogen 3.054 N/A TRP 221.A N VAL 217.A O no hydrogen 3.126 N/A LYS 222.A N THR 218.A O no hydrogen 2.862 N/A GLN 223.A N ASP 219.A O no hydrogen 2.963 N/A GLN 224.A N PHE 220.A O no hydrogen 3.107 N/A GLY 225.A N LYS 222.A O no hydrogen 3.238 N/A LEU 226.A N TRP 221.A O no hydrogen 2.902 N/A LEU 228.A N ILE 255.A O no hydrogen 2.873 N/A TYR 229.A N ILE 255.A O no hydrogen 3.217 N/A ASP 231.A N PHE 253.A O no hydrogen 3.084 N/A LEU 233.A N LYS 251.A O no hydrogen 2.724 N/A SER 235.A N GLU 234.A OE2 no hydrogen 3.058 N/A SER 235.A OG HIS 248.A O no hydrogen 3.463 N/A THR 236.A N HIS 248.A O no hydrogen 2.843 N/A THR 236.A OG1 LEU 246.A O no hydrogen 2.582 N/A PHE 237.A N SER 235.A OG no hydrogen 3.014 N/A LYS 241.A N GLU 238.A O no hydrogen 3.334 N/A HIS 248.A N THR 236.A OG1 no hydrogen 2.917 N/A HIS 248.A ND1 PHE 249.A O no hydrogen 3.061 N/A GLN 250.A NE2 GLN 211.A O no hydrogen 2.764 N/A GLN 250.A NE2 GLU 234.A OE1 no hydrogen 3.331 N/A LYS 251.A N LEU 233.A O no hydrogen 3.026 N/A CYS 252.A N LEU 278.A O no hydrogen 2.897 N/A PHE 253.A N ASP 231.A O no hydrogen 2.947 N/A LEU 254.A N VAL 276.A O no hydrogen 2.803 N/A ILE 255.A N TYR 229.A O no hydrogen 3.111 N/A LEU 256.A N ILE 274.A O no hydrogen 2.906 N/A LYS 257.A N LEU 226.A O no hydrogen 2.825 N/A LEU 258.A N LYS 272.A O no hydrogen 2.912 N/A HIS 260.A N GLY 270.A O no hydrogen 3.009 N/A GLY 261.A N ASP 259.A OD2 no hydrogen 3.200 N/A ARG 262.A N ASP 259.A O no hydrogen 3.163 N/A VAL 263.A N HIS 260.A O no hydrogen 3.074 N/A LYS 272.A N LEU 258.A O no hydrogen 2.906 N/A LYS 272.A NZ CYS 154.A O no hydrogen 3.102 N/A LYS 272.A NZ GLU 159.A OE1 no hydrogen 2.989 N/A LYS 272.A NZ GLU 159.A OE2 no hydrogen 3.417 N/A ALA 273.A N ASP 150.A OD2 no hydrogen 2.802 N/A ILE 274.A N LEU 256.A O no hydrogen 2.958 N/A ARG 275.A NH1 LEU 254.A O no hydrogen 2.916 N/A ARG 275.A NH1 VAL 276.A O no hydrogen 3.286 N/A ARG 275.A NH1 ASP 277.A OD1 no hydrogen 2.790 N/A ARG 275.A NH2 ASP 277.A OD1 no hydrogen 2.790 N/A ARG 275.A NH2 ASP 277.A OD2 no hydrogen 3.411 N/A VAL 276.A N LEU 254.A O no hydrogen 2.958 N/A ASP 277.A N VAL 196.A O no hydrogen 2.949 N/A LEU 278.A N CYS 252.A O no hydrogen 3.106 N/A VAL 279.A N PHE 198.A O no hydrogen 2.984 N/A MET 280.A N GLN 250.A O no hydrogen 2.999 N/A CYS 281.A N ILE 200.A O no hydrogen 3.112 N/A CYS 281.A SG PRO 282.A O no hydrogen 3.576 N/A ARG 285.A N PRO 282.A O no hydrogen 3.019 N/A ARG 285.A NE ASP 284.A OD2 no hydrogen 2.676 N/A ARG 285.A NH1 HIS 318.A O no hydrogen 2.948 N/A ARG 285.A NH2 LYS 239.A O no hydrogen 2.728 N/A ARG 286.A N TYR 283.A O no hydrogen 3.297 N/A ARG 286.A NH1 TYR 283.A O no hydrogen 2.897 N/A ARG 286.A NH1 GLU 332.A OE2 no hydrogen 3.209 N/A ARG 286.A NH2 GLU 332.A OE1 no hydrogen 3.021 N/A ALA 289.A N ARG 285.A O no hydrogen 3.103 N/A LEU 290.A N ARG 286.A O no hydrogen 3.011 N/A LEU 291.A N ALA 287.A O no hydrogen 3.044 N/A GLY 292.A N PHE 288.A O no hydrogen 2.983 N/A TRP 293.A N ALA 289.A O no hydrogen 2.796 N/A THR 294.A N LEU 290.A O no hydrogen 2.950 N/A THR 294.A OG1 LEU 290.A O no hydrogen 2.600 N/A SER 296.A N ARG 351.A O no hydrogen 3.114 N/A SER 296.A OG ARG 351.A O no hydrogen 3.141 N/A SER 296.A OG ALA 353.A O no hydrogen 2.810 N/A PHE 299.A N SER 296.A OG no hydrogen 3.298 N/A GLU 300.A N SER 296.A O no hydrogen 3.062 N/A ARG 301.A N ARG 297.A O no hydrogen 3.075 N/A ARG 301.A NE GLN 298.A OE1 no hydrogen 2.866 N/A ARG 301.A NH2 GLN 298.A OE1 no hydrogen 2.769 N/A ASP 302.A N GLN 298.A O no hydrogen 3.068 N/A LEU 303.A N PHE 299.A O no hydrogen 2.887 N/A ARG 304.A N GLU 300.A O no hydrogen 3.137 N/A ARG 305.A N ARG 301.A O no hydrogen 3.041 N/A ARG 305.A NE ASP 302.A OD2 no hydrogen 3.149 N/A ARG 305.A NH2 GLN 4.A O no hydrogen 3.482 N/A ARG 305.A NH2 ASP 302.A OD2 no hydrogen 2.826 N/A TYR 306.A N ASP 302.A O no hydrogen 2.796 N/A ALA 307.A N LEU 303.A O no hydrogen 2.977 N/A THR 308.A N ARG 304.A O no hydrogen 3.110 N/A THR 308.A OG1 ARG 304.A O no hydrogen 3.067 N/A THR 308.A OG1 MET 313.A O no hydrogen 3.496 N/A HIS 309.A N ARG 305.A O no hydrogen 2.878 N/A GLU 310.A N TYR 306.A O no hydrogen 2.833 N/A ARG 311.A N ALA 307.A O no hydrogen 3.260 N/A ARG 311.A NE TYR 306.A OH no hydrogen 3.281 N/A MET 313.A N ALA 307.A O no hydrogen 2.873 N/A MET 314.A N TYR 321.A O no hydrogen 2.775 N/A ASP 316.A N ALA 319.A O no hydrogen 3.190 N/A HIS 318.A N ASP 316.A OD1 no hydrogen 2.974 N/A HIS 318.A ND1 ASP 316.A OD1 no hydrogen 3.223 N/A HIS 318.A ND1 ASP 316.A OD2 no hydrogen 2.977 N/A ALA 319.A N ASP 316.A OD1 no hydrogen 3.015 N/A TYR 321.A N MET 314.A O no hydrogen 2.896 N/A ASP 322.A N VAL 327.A O no hydrogen 2.843 N/A ARG 323.A N LYS 312.A O no hydrogen 3.261 N/A THR 324.A N ASP 322.A OD1 no hydrogen 2.998 N/A LYS 325.A N ASP 322.A OD1 no hydrogen 2.982 N/A VAL 327.A N ASP 322.A O no hydrogen 3.248 N/A LEU 329.A N LEU 320.A O no hydrogen 2.774 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.842 N/A GLU 336.A N SER 333.A OG no hydrogen 3.368 N/A PHE 338.A N GLU 334.A O no hydrogen 3.022 N/A ALA 339.A N GLU 335.A O no hydrogen 2.946 N/A HIS 340.A N GLU 336.A O no hydrogen 2.967 N/A HIS 340.A NE2 GLU 330.A O no hydrogen 2.702 N/A LEU 341.A N ILE 337.A O no hydrogen 3.109 N/A GLY 342.A N ALA 339.A O no hydrogen 3.236 N/A LEU 343.A N PHE 338.A O no hydrogen 2.936 N/A TYR 345.A OH GLU 334.A OE1 no hydrogen 3.307 N/A GLU 347.A N GLU 350.A OE1 no hydrogen 2.894 N/A GLU 350.A N GLU 347.A O no hydrogen 2.866 N/A ARG 351.A N PRO 348.A O no hydrogen 3.091 N/A ARG 351.A NE ILE 346.A O no hydrogen 2.914 N/A ARG 351.A NH1 GLU 334.A OE2 no hydrogen 2.724 N/A ARG 351.A NH2 GLU 334.A OE1 no hydrogen 3.107 N/A ARG 351.A NH2 ILE 346.A O no hydrogen 3.010 N/A ASN 352.A N THR 11.A O no hydrogen 2.983 N/A ASN 352.A ND2 ARG 188.A O no hydrogen 3.167 N/A ASN 352.A ND2 TRP 349.A O no hydrogen 2.911 N/A