Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3exg_1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASN 273.A O no hydrogen 3.166 N/A ALA 6.A N LEU 28.A O no hydrogen 3.120 N/A PHE 8.A N THR 26.A O no hydrogen 2.991 N/A ILE 10.A N VAL 24.A O no hydrogen 3.405 N/A LYS 12.A NZ CYS 13.A O no hydrogen 2.904 N/A CYS 13.A SG ARG 217.A O no hydrogen 3.945 N/A HIS 16.A N GLY 215.A O no hydrogen 2.922 N/A HIS 16.A NE2 ASP 211.A O no hydrogen 2.970 N/A ARG 17.A NE ASP 211.A O no hydrogen 3.193 N/A THR 26.A N PHE 8.A O no hydrogen 3.026 N/A THR 26.A OG1 GLU 228.A OE2 no hydrogen 3.558 N/A LEU 28.A N ALA 6.A O no hydrogen 2.739 N/A ARG 30.A NH2 GLU 279.A OE2 no hydrogen 3.267 N/A ASP 32.A N THR 29.A OG1 no hydrogen 2.875 N/A GLY 33.A N THR 29.A O no hydrogen 2.921 N/A LEU 34.A N ARG 30.A O no hydrogen 3.018 N/A TYR 36.A N ASP 32.A O no hydrogen 2.800 N/A TYR 37.A N GLY 33.A O no hydrogen 3.231 N/A TYR 37.A OH ASP 284.A OD1 no hydrogen 2.619 N/A ARG 38.A N LEU 34.A O no hydrogen 3.393 N/A MET 39.A N LYS 35.A O no hydrogen 3.224 N/A MET 40.A N TYR 36.A O no hydrogen 3.158 N/A GLN 41.A N TYR 37.A O no hydrogen 3.013 N/A THR 42.A N ARG 38.A O no hydrogen 2.887 N/A THR 42.A OG1 ARG 38.A O no hydrogen 3.085 N/A VAL 43.A N MET 39.A O no hydrogen 2.933 N/A ARG 44.A N MET 40.A O no hydrogen 2.901 N/A ARG 44.A NE GLU 70.A OE2 no hydrogen 2.520 N/A ARG 44.A NH1 ASP 260.A OD1 no hydrogen 3.201 N/A ARG 44.A NH2 GLU 70.A OE1 no hydrogen 2.912 N/A ARG 44.A NH2 ASP 260.A OD1 no hydrogen 3.242 N/A ARG 45.A N GLN 41.A O no hydrogen 3.000 N/A MET 46.A N THR 42.A O no hydrogen 3.033 N/A GLU 47.A N VAL 43.A O no hydrogen 2.877 N/A LEU 48.A N ARG 44.A O no hydrogen 3.021 N/A LYS 49.A N ARG 45.A O no hydrogen 3.108 N/A LYS 49.A NZ GLU 292.A OE1 no hydrogen 3.170 N/A ALA 50.A N MET 46.A O no hydrogen 2.844 N/A ASP 51.A N GLU 47.A O no hydrogen 3.055 N/A LEU 53.A N LYS 49.A O no hydrogen 2.988 N/A TYR 54.A N ALA 50.A O no hydrogen 3.048 N/A TYR 54.A N ASP 51.A O no hydrogen 3.277 N/A TYR 54.A OH GLY 61.A O no hydrogen 3.185 N/A LYS 55.A N ASP 51.A O no hydrogen 2.920 N/A GLN 56.A N GLN 52.A O no hydrogen 3.141 N/A GLN 56.A NE2 GLN 52.A O no hydrogen 3.165 N/A LYS 57.A N TYR 54.A O no hydrogen 2.623 N/A ILE 59.A N LEU 53.A O no hydrogen 3.215 N/A CYS 66.A N GLU 47.A OE2 no hydrogen 3.039 N/A CYS 66.A SG GLU 47.A OE2 no hydrogen 3.325 N/A GLY 68.A N GLU 70.A OE2 no hydrogen 3.467 N/A GLN 69.A N CYS 66.A O no hydrogen 3.054 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.663 N/A CYS 72.A N GLN 69.A O no hydrogen 2.718 N/A CYS 72.A SG GLY 220.A O no hydrogen 4.041 N/A CYS 73.A SG GLU 70.A O no hydrogen 3.960 N/A VAL 74.A N GLU 70.A O no hydrogen 3.154 N/A GLY 75.A N ALA 71.A O no hydrogen 3.064 N/A LEU 76.A N CYS 72.A O no hydrogen 2.961 N/A GLU 77.A N CYS 73.A O no hydrogen 3.229 N/A ALA 78.A N VAL 74.A O no hydrogen 3.059 N/A ALA 78.A N GLY 75.A O no hydrogen 3.220 N/A GLY 79.A N LEU 76.A O no hydrogen 3.199 N/A ASN 81.A N ASP 84.A OD2 no hydrogen 2.944 N/A ASP 84.A N ASN 81.A O no hydrogen 3.113 N/A HIS 85.A N VAL 161.A O no hydrogen 3.032 N/A HIS 85.A ND1 TYR 133.A OH no hydrogen 2.755 N/A LEU 86.A N ASN 131.A O no hydrogen 2.866 N/A ILE 87.A N LEU 163.A O no hydrogen 3.109 N/A THR 88.A N GLY 134.A O no hydrogen 3.123 N/A ARG 91.A NH1 LEU 65.A O no hydrogen 3.383 N/A HIS 93.A NE2 SER 124.A OG no hydrogen 2.789 N/A THR 96.A N ALA 92.A O no hydrogen 3.037 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.830 N/A PHE 97.A N HIS 93.A O no hydrogen 3.217 N/A THR 98.A N GLY 94.A O no hydrogen 3.070 N/A THR 98.A OG1 GLY 94.A O no hydrogen 3.493 N/A THR 98.A OG1 PHE 95.A O no hydrogen 3.500 N/A ARG 99.A N THR 96.A O no hydrogen 3.400 N/A ARG 99.A NE GLU 77.A OE1 no hydrogen 2.967 N/A ARG 99.A NE GLU 77.A OE2 no hydrogen 3.312 N/A ARG 99.A NH1 ASP 84.A O no hydrogen 2.657 N/A ARG 99.A NH2 GLU 77.A OE2 no hydrogen 3.053 N/A ARG 99.A NH2 ASN 81.A O no hydrogen 3.056 N/A ARG 99.A NH2 ASP 84.A O no hydrogen 3.345 N/A GLY 100.A N PHE 97.A O no hydrogen 3.166 N/A SER 102.A N GLU 105.A OE2 no hydrogen 3.304 N/A ARG 104.A N SER 102.A OG no hydrogen 3.039 N/A GLU 105.A N SER 102.A OG no hydrogen 3.305 N/A ILE 106.A N SER 102.A O no hydrogen 3.072 N/A LEU 107.A N VAL 103.A O no hydrogen 3.187 N/A ALA 108.A N ARG 104.A O no hydrogen 3.203 N/A GLU 109.A N GLU 105.A O no hydrogen 3.210 N/A GLU 109.A N ILE 106.A O no hydrogen 3.155 N/A LEU 110.A N ILE 106.A O no hydrogen 3.115 N/A THR 111.A N LEU 107.A O no hydrogen 3.061 N/A THR 111.A OG1 LEU 107.A O no hydrogen 3.050 N/A THR 111.A OG1 ALA 108.A O no hydrogen 3.293 N/A THR 111.A OG1 ALA 298.A O no hydrogen 2.984 N/A GLY 112.A N GLU 109.A O no hydrogen 3.103 N/A ARG 113.A N ALA 108.A O no hydrogen 2.988 N/A ARG 113.A NE THR 111.A O no hydrogen 2.782 N/A ARG 113.A NH1 THR 299.A O no hydrogen 2.807 N/A ARG 113.A NH1 ASP 301.A O no hydrogen 3.056 N/A LYS 114.A N PRO 302.A O no hydrogen 2.797 N/A GLY 116.A N ARG 113.A O no hydrogen 3.151 N/A CYS 117.A N GLU 105.A O no hydrogen 3.327 N/A ALA 118.A N GLU 109.A OE1 no hydrogen 2.823 N/A LYS 119.A N GLY 116.A O no hydrogen 2.993 N/A GLY 120.A N GLU 109.A OE1 no hydrogen 2.815 N/A LYS 121.A N ALA 118.A O no hydrogen 2.868 N/A LYS 121.A NZ TYR 311.A O no hydrogen 2.928 N/A GLY 122.A N GLU 109.A OE2 no hydrogen 2.990 N/A GLY 123.A N GLU 109.A OE2 no hydrogen 2.901 N/A SER 124.A OG HIS 93.A NE2 no hydrogen 2.789 N/A HIS 126.A N GLY 123.A O no hydrogen 2.986 N/A ALA 129.A N PHE 132.A O no hydrogen 3.231 N/A ASN 131.A ND2 ASP 84.A O no hydrogen 3.466 N/A PHE 132.A N ALA 129.A O no hydrogen 2.831 N/A TYR 133.A N LEU 86.A O no hydrogen 3.180 N/A TYR 133.A OH HIS 85.A ND1 no hydrogen 2.755 N/A ASN 136.A N ALA 89.A O no hydrogen 3.203 N/A ASN 136.A ND2 THR 88.A O no hydrogen 2.795 N/A ASN 136.A ND2 TYR 133.A O no hydrogen 3.569 N/A ALA 141.A N ILE 138.A O no hydrogen 3.294 N/A GLN 142.A N GLN 142.A OE1 no hydrogen 2.366 N/A GLN 142.A NE2 LEU 165.A O no hydrogen 3.214 N/A VAL 143.A N GLY 140.A O no hydrogen 2.940 N/A GLY 146.A N GLN 142.A O no hydrogen 2.820 N/A ALA 147.A N VAL 143.A O no hydrogen 2.959 N/A GLY 148.A N PRO 144.A O no hydrogen 2.869 N/A ILE 149.A N LEU 145.A O no hydrogen 2.796 N/A ALA 150.A N GLY 146.A O no hydrogen 3.053 N/A LEU 151.A N ALA 147.A O no hydrogen 2.822 N/A ALA 152.A N GLY 148.A O no hydrogen 3.019 N/A CYS 153.A N ILE 149.A O no hydrogen 3.038 N/A CYS 153.A SG ILE 149.A O no hydrogen 3.517 N/A LYS 154.A N ALA 150.A O no hydrogen 3.107 N/A LYS 154.A NZ TRP 186.A O no hydrogen 3.094 N/A TYR 155.A N LEU 151.A O no hydrogen 3.039 N/A ASN 156.A N ALA 152.A O no hydrogen 2.999 N/A ASN 156.A N CYS 153.A O no hydrogen 2.937 N/A GLY 157.A N CYS 153.A O no hydrogen 3.026 N/A GLY 157.A N LYS 154.A O no hydrogen 3.295 N/A VAL 161.A N ASP 84.A OD1 no hydrogen 2.991 N/A CYS 162.A N PRO 189.A O no hydrogen 3.038 N/A CYS 162.A SG HIS 85.A O no hydrogen 3.669 N/A CYS 162.A SG GLY 146.A O no hydrogen 3.570 N/A CYS 162.A SG LEU 163.A O no hydrogen 3.646 N/A LEU 163.A N HIS 85.A O no hydrogen 2.884 N/A THR 164.A N ILE 191.A O no hydrogen 2.921 N/A LEU 165.A N ILE 87.A O no hydrogen 3.077 N/A TYR 166.A N ILE 193.A O no hydrogen 2.923 N/A ALA 170.A N GLY 167.A O no hydrogen 2.996 N/A ALA 171.A N ASP 168.A O no hydrogen 3.207 N/A GLN 173.A N ALA 170.A O no hydrogen 3.322 N/A GLN 175.A NE2 GLN 173.A OE1 no hydrogen 3.238 N/A ILE 176.A N GLN 173.A O no hydrogen 3.109 N/A GLU 178.A N GLY 174.A O no hydrogen 3.107 N/A ALA 179.A N GLN 175.A O no hydrogen 2.924 N/A TYR 180.A N ILE 176.A O no hydrogen 2.733 N/A TYR 180.A OH TYR 166.A OH no hydrogen 2.454 N/A ASN 181.A N PHE 177.A O no hydrogen 3.009 N/A MET 182.A N GLU 178.A O no hydrogen 3.341 N/A ALA 183.A N ALA 179.A O no hydrogen 3.017 N/A ALA 184.A N TYR 180.A O no hydrogen 3.000 N/A LEU 185.A N ASN 181.A O no hydrogen 2.995 N/A TRP 186.A N MET 182.A O no hydrogen 2.791 N/A LEU 188.A N ALA 183.A O no hydrogen 2.883 N/A CYS 190.A N LEU 188.A O no hydrogen 2.588 N/A CYS 190.A SG THR 164.A OG1 no hydrogen 3.448 N/A ILE 191.A N CYS 162.A O no hydrogen 2.995 N/A PHE 192.A N ILE 244.A O no hydrogen 2.861 N/A ILE 193.A N THR 164.A O no hydrogen 3.029 N/A CYS 194.A N MET 246.A O no hydrogen 2.909 N/A GLU 195.A N TYR 166.A O no hydrogen 2.754 N/A ASN 196.A ND2 GLU 247.A OE2 no hydrogen 3.140 N/A ASN 197.A N ASP 168.A OD2 no hydrogen 2.941 N/A ARG 198.A N ASN 196.A OD1 no hydrogen 2.853 N/A TYR 207.A N GLU 247.A OE1 no hydrogen 3.033 N/A LYS 208.A N ASP 205.A O no hydrogen 2.917 N/A ARG 209.A N ASP 205.A O no hydrogen 3.097 N/A ARG 209.A N TYR 206.A O no hydrogen 3.155 N/A ARG 209.A NH1 ASN 172.A OD1 no hydrogen 3.402 N/A ARG 209.A NH2 ASN 172.A OD1 no hydrogen 2.800 N/A ASP 211.A N LYS 208.A O no hydrogen 2.658 N/A ILE 213.A N GLY 210.A O no hydrogen 2.988 N/A GLY 215.A N HIS 16.A O no hydrogen 3.120 N/A LEU 216.A N LEU 245.A O no hydrogen 2.910 N/A ARG 217.A N ASP 14.A O no hydrogen 2.802 N/A ARG 217.A NE ASP 14.A OD1 no hydrogen 3.309 N/A ARG 217.A NH2 ASP 14.A OD1 no hydrogen 2.838 N/A VAL 218.A N GLU 247.A O no hydrogen 2.825 N/A GLY 220.A N GLN 249.A O no hydrogen 2.687 N/A MET 221.A N ASP 219.A OD1 no hydrogen 2.977 N/A ASP 222.A N ASP 219.A OD1 no hydrogen 3.437 N/A LEU 224.A N ASP 222.A OD1 no hydrogen 2.644 N/A CYS 225.A N ASP 222.A O no hydrogen 3.022 N/A VAL 226.A N ASP 222.A O no hydrogen 3.171 N/A ARG 227.A N ILE 223.A O no hydrogen 2.998 N/A GLU 228.A N LEU 224.A O no hydrogen 3.063 N/A ALA 229.A N CYS 225.A O no hydrogen 2.670 N/A THR 230.A N VAL 226.A O no hydrogen 3.023 N/A THR 230.A OG1 VAL 226.A O no hydrogen 2.740 N/A ARG 231.A N ARG 227.A O no hydrogen 3.080 N/A PHE 232.A N GLU 228.A O no hydrogen 2.911 N/A ALA 233.A N ALA 229.A O no hydrogen 2.709 N/A ALA 234.A N THR 230.A O no hydrogen 2.755 N/A ALA 235.A N ARG 231.A O no hydrogen 2.820 N/A TYR 236.A N PHE 232.A O no hydrogen 3.051 N/A CYS 237.A N ALA 233.A O no hydrogen 3.053 N/A CYS 237.A SG ALA 233.A O no hydrogen 3.847 N/A CYS 237.A SG GLY 242.A O no hydrogen 3.284 N/A ARG 238.A N ALA 234.A O no hydrogen 3.200 N/A ARG 238.A NH1 ASP 84.A OD1 no hydrogen 2.896 N/A ARG 238.A NH1 ASP 84.A OD2 no hydrogen 3.354 N/A ARG 238.A NH1 ASP 159.A O no hydrogen 2.988 N/A ARG 238.A NH2 ASP 84.A OD2 no hydrogen 2.669 N/A SER 239.A N ALA 235.A O no hydrogen 2.943 N/A SER 239.A OG TYR 236.A O no hydrogen 3.073 N/A GLY 240.A N CYS 237.A O no hydrogen 3.050 N/A ILE 244.A N CYS 190.A O no hydrogen 3.292 N/A LEU 245.A N PRO 214.A O no hydrogen 2.822 N/A MET 246.A N PHE 192.A O no hydrogen 3.018 N/A GLU 247.A N LEU 216.A O no hydrogen 3.093 N/A LEU 248.A N CYS 194.A O no hydrogen 3.055 N/A GLN 249.A N VAL 218.A O no hydrogen 2.931 N/A THR 250.A N ASN 196.A O no hydrogen 2.838 N/A TYR 251.A N THR 250.A OG1 no hydrogen 2.467 N/A TYR 253.A N ASP 67.A O no hydrogen 3.273 N/A TYR 253.A OH ASP 260.A OD1 no hydrogen 3.149 N/A SER 257.A N GLU 254.A O no hydrogen 2.278 N/A SER 257.A OG GLU 254.A O no hydrogen 2.374 N/A SER 259.A OG VAL 255.A O no hydrogen 2.510 N/A ILE 262.A N ASP 260.A OD2 no hydrogen 2.644 N/A MET 263.A N ASP 260.A OD2 no hydrogen 3.144 N/A LEU 264.A N ASP 260.A O no hydrogen 3.224 N/A LEU 265.A N PRO 261.A O no hydrogen 3.371 N/A LYS 266.A N ILE 262.A O no hydrogen 2.881 N/A ASP 267.A N MET 263.A O no hydrogen 2.856 N/A ARG 268.A N LEU 264.A O no hydrogen 3.328 N/A ARG 268.A NH1 ASP 222.A OD1 no hydrogen 3.084 N/A ARG 268.A NH2 ASP 222.A OD2 no hydrogen 2.744 N/A MET 269.A N LEU 265.A O no hydrogen 3.082 N/A VAL 270.A N LYS 266.A O no hydrogen 2.778 N/A ASN 271.A N ASP 267.A O no hydrogen 3.033 N/A SER 272.A N ARG 268.A O no hydrogen 3.115 N/A SER 272.A OG ARG 268.A O no hydrogen 3.107 N/A ASN 273.A N VAL 270.A O no hydrogen 2.765 N/A LEU 274.A N MET 269.A O no hydrogen 2.808 N/A ALA 275.A N MET 269.A O no hydrogen 3.108 N/A SER 276.A N GLU 279.A OE1 no hydrogen 2.607 N/A LEU 280.A N SER 276.A O no hydrogen 3.016 N/A LYS 281.A N VAL 277.A O no hydrogen 3.144 N/A LYS 281.A NZ ASP 284.A OD2 no hydrogen 3.394 N/A GLU 282.A N GLU 279.A O no hydrogen 2.932 N/A ILE 283.A N GLU 279.A O no hydrogen 3.243 N/A ASP 284.A N LEU 280.A O no hydrogen 2.783 N/A GLU 286.A N GLU 282.A O no hydrogen 3.084 N/A VAL 287.A N ILE 283.A O no hydrogen 3.133 N/A ARG 288.A N ASP 284.A O no hydrogen 2.794 N/A LYS 289.A N VAL 285.A O no hydrogen 3.006 N/A GLU 290.A N GLU 286.A O no hydrogen 2.900 N/A ILE 291.A N VAL 287.A O no hydrogen 2.964 N/A GLU 292.A N ARG 288.A O no hydrogen 3.118 N/A ASP 293.A N LYS 289.A O no hydrogen 2.999 N/A ASP 293.A N GLU 290.A O no hydrogen 3.278 N/A ALA 294.A N GLU 290.A O no hydrogen 3.132 N/A ALA 295.A N ILE 291.A O no hydrogen 2.803 N/A GLN 296.A N GLU 292.A O no hydrogen 3.477 N/A ALA 298.A N ALA 294.A O no hydrogen 2.762 N/A THR 299.A OG1 ALA 295.A O no hydrogen 3.059 N/A ASP 301.A N PHE 297.A O no hydrogen 3.125 N/A GLU 308.A N PRO 305.A O no hydrogen 2.786 N/A LEU 309.A N LEU 306.A O no hydrogen 3.147 N/A TYR 311.A N GLU 308.A O no hydrogen 3.083 N/A HIS 312.A N VAL 334.A O no hydrogen 2.980 N/A HIS 312.A ND1 SER 335.A O no hydrogen 3.172 N/A ASP 317.A N SER 335.A OG no hydrogen 2.703 N/A PHE 320.A N SER 333.A O no hydrogen 3.054 N/A VAL 322.A N PHE 331.A O no hydrogen 2.761 N/A GLY 324.A N ILE 329.A O no hydrogen 3.047 N/A TRP 328.A N ASN 326.A OD1 no hydrogen 3.039 N/A ILE 329.A N ASN 326.A O no hydrogen 2.977 N/A ILE 329.A N ASN 326.A OD1 no hydrogen 3.217 N/A PHE 331.A N VAL 322.A O no hydrogen 2.853 N/A SER 333.A N PHE 320.A O no hydrogen 2.862 N/A SER 333.A OG GLY 310.A O no hydrogen 2.708 N/A SER 335.A OG TYR 314.A O no hydrogen 3.395 N/A SER 335.A OG ASP 317.A O no hydrogen 2.736 N/A