Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fi4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 89.A O no hydrogen 2.665 N/A TYR 6.A N VAL 17.A O no hydrogen 2.930 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.579 N/A ARG 7.A NH2 GLU 16.A OE2 no hydrogen 3.050 N/A GLN 8.A N TRP 15.A O no hydrogen 2.857 N/A LEU 10.A N THR 13.A O no hydrogen 3.080 N/A LYS 12.A N LEU 10.A O no hydrogen 2.623 N/A THR 13.A OG1 ASN 11.A O no hydrogen 3.467 N/A TRP 15.A N GLN 8.A O no hydrogen 2.681 N/A GLU 16.A N TYR 100.A OH no hydrogen 3.001 N/A VAL 17.A N TYR 6.A O no hydrogen 3.107 N/A GLU 19.A N THR 4.A O no hydrogen 2.961 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 2.809 N/A ARG 20.A NH1 ASP 40.A OD1 no hydrogen 3.275 N/A ARG 20.A NH1 ASP 40.A OD2 no hydrogen 2.705 N/A TYR 21.A N PRO 18.A O no hydrogen 3.068 N/A TYR 21.A OH ASP 85.A OD1 no hydrogen 2.683 N/A GLN 22.A N PHE 39.A O no hydrogen 2.926 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.622 N/A SER 25.A N ALA 37.A O no hydrogen 2.975 N/A VAL 27.A N VAL 35.A O no hydrogen 2.857 N/A GLY 30.A N GLY 33.A O no hydrogen 2.874 N/A VAL 35.A N GLY 28.A O no hydrogen 2.984 N/A CYS 36.A N VAL 49.A O no hydrogen 2.806 N/A ALA 37.A N SER 25.A O no hydrogen 2.661 N/A ALA 38.A N VAL 47.A O no hydrogen 2.849 N/A PHE 39.A N GLN 22.A O no hydrogen 2.852 N/A ASP 40.A N LEU 45.A O no hydrogen 3.006 N/A THR 41.A N ARG 20.A O no hydrogen 2.870 N/A THR 41.A OG1 ARG 20.A O no hydrogen 2.885 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 3.089 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.554 N/A GLY 44.A N ASP 40.A O no hydrogen 2.858 N/A VAL 47.A N ALA 38.A O no hydrogen 2.793 N/A ALA 48.A N THR 103.A O no hydrogen 2.777 N/A VAL 49.A N CYS 36.A O no hydrogen 2.707 N/A LYS 50.A N LEU 101.A O no hydrogen 2.720 N/A LYS 50.A NZ ALA 31.A O no hydrogen 2.684 N/A LYS 50.A NZ GLU 68.A OE2 no hydrogen 2.689 N/A LYS 51.A N SER 34.A O no hydrogen 3.165 N/A LYS 51.A NZ ILE 14.A O no hydrogen 2.918 N/A LEU 52.A N VAL 99.A O no hydrogen 3.006 N/A SER 53.A N TYR 32.A O no hydrogen 3.179 N/A GLN 57.A N LYS 54.A O no hydrogen 3.299 N/A SER 58.A OG HIS 61.A ND1 no hydrogen 2.879 N/A HIS 61.A N SER 58.A OG no hydrogen 3.149 N/A HIS 61.A ND1 SER 58.A OG no hydrogen 2.879 N/A ALA 62.A N SER 58.A O no hydrogen 2.896 N/A LYS 63.A N ILE 59.A O no hydrogen 2.933 N/A LYS 63.A NZ GLU 315.A O no hydrogen 2.643 N/A LYS 63.A NZ ARG 317.A O no hydrogen 3.177 N/A ARG 64.A N ILE 60.A O no hydrogen 3.081 N/A THR 65.A N HIS 61.A O no hydrogen 2.862 N/A THR 65.A OG1 PRO 55.A O no hydrogen 2.773 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.793 N/A TYR 66.A N ALA 62.A O no hydrogen 3.055 N/A ARG 67.A N LYS 63.A O no hydrogen 2.767 N/A ARG 67.A NE GLU 315.A OE1 no hydrogen 3.282 N/A ARG 67.A NE GLU 315.A OE2 no hydrogen 2.742 N/A ARG 67.A NH2 GLU 315.A OE1 no hydrogen 2.953 N/A GLU 68.A N ARG 64.A O no hydrogen 2.922 N/A LEU 69.A N THR 65.A O no hydrogen 3.019 N/A ARG 70.A N TYR 66.A O no hydrogen 2.894 N/A ARG 70.A NH1 TYR 66.A OH no hydrogen 3.099 N/A ARG 70.A NH2 ASP 311.A O no hydrogen 2.637 N/A LEU 71.A N ARG 67.A O no hydrogen 2.958 N/A LEU 72.A N GLU 68.A O no hydrogen 2.966 N/A LYS 73.A N LEU 69.A O no hydrogen 2.908 N/A LYS 73.A NZ GLU 331.A O no hydrogen 2.765 N/A LYS 73.A NZ GLU 331.A OE1 no hydrogen 2.818 N/A HIS 74.A N ARG 70.A O no hydrogen 3.146 N/A HIS 74.A N LEU 71.A O no hydrogen 3.244 N/A HIS 74.A NE2 ASP 308.A O no hydrogen 2.709 N/A LYS 76.A N TYR 130.A OH no hydrogen 2.910 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.876 N/A ASN 79.A ND2 GLN 123.A OE1 no hydrogen 3.555 N/A ASN 79.A ND2 LEU 154.A O no hydrogen 3.048 N/A VAL 80.A N HIS 77.A O no hydrogen 3.274 N/A ILE 81.A N ILE 156.A O no hydrogen 2.958 N/A LEU 84.A N VAL 102.A O no hydrogen 2.773 N/A ASP 85.A N VAL 102.A O no hydrogen 3.435 N/A PHE 87.A N TYR 100.A O no hydrogen 3.132 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.991 N/A ALA 90.A N THR 88.A OG1 no hydrogen 3.338 N/A ARG 91.A N GLU 95.A OE1 no hydrogen 3.106 N/A SER 92.A OG GLU 94.A OE1 no hydrogen 3.468 N/A PHE 96.A N LEU 93.A O no hydrogen 3.334 N/A TYR 100.A N PHE 87.A O no hydrogen 3.111 N/A LEU 101.A N LYS 50.A O no hydrogen 2.782 N/A VAL 102.A N ASP 85.A O no hydrogen 2.933 N/A THR 103.A N ALA 48.A O no hydrogen 2.995 N/A THR 103.A OG1 GLY 82.A O no hydrogen 2.611 N/A LEU 105.A N ARG 46.A O no hydrogen 2.962 N/A GLY 107.A N VAL 148.A O no hydrogen 2.933 N/A ALA 108.A N VAL 148.A O no hydrogen 3.168 N/A ASP 109.A N ASN 112.A OD1 no hydrogen 3.483 N/A LEU 110.A N PRO 143.A O no hydrogen 3.032 N/A LEU 110.A N LEU 146.A O no hydrogen 2.942 N/A ASN 112.A N ASP 109.A O no hydrogen 3.043 N/A ASN 112.A N ASP 109.A OD1 no hydrogen 2.972 N/A GLN 118.A N ASP 114.A O no hydrogen 2.802 N/A GLN 118.A NE2 ASP 114.A OD1 no hydrogen 2.877 N/A PHE 119.A N ASP 115.A O no hydrogen 3.227 N/A LEU 120.A N HIS 116.A O no hydrogen 3.042 N/A ILE 121.A N VAL 117.A O no hydrogen 2.992 N/A TYR 122.A N GLN 118.A O no hydrogen 2.882 N/A TYR 122.A OH GLU 304.A OE2 no hydrogen 2.577 N/A GLN 123.A N PHE 119.A O no hydrogen 3.202 N/A GLN 123.A NE2 PHE 119.A O no hydrogen 3.206 N/A GLN 123.A NE2 CYS 152.A O no hydrogen 3.045 N/A ILE 124.A N LEU 120.A O no hydrogen 3.116 N/A LEU 125.A N ILE 121.A O no hydrogen 2.921 N/A ARG 126.A N TYR 122.A O no hydrogen 2.812 N/A ARG 126.A NE ASP 303.A O no hydrogen 2.796 N/A ARG 126.A NH1 GLU 78.A OE2 no hydrogen 3.326 N/A ARG 126.A NH1 ASP 303.A O no hydrogen 2.778 N/A ARG 126.A NH2 GLU 78.A OE2 no hydrogen 2.731 N/A ARG 126.A NH2 ASN 79.A OD1 no hydrogen 2.939 N/A GLY 127.A N GLN 123.A O no hydrogen 2.968 N/A LEU 128.A N ILE 124.A O no hydrogen 2.731 N/A LYS 129.A N LEU 125.A O no hydrogen 2.777 N/A LYS 129.A NZ GLU 304.A O no hydrogen 2.873 N/A TYR 130.A N ARG 126.A O no hydrogen 3.356 N/A ILE 131.A N GLY 127.A O no hydrogen 2.978 N/A HIS 132.A N LEU 128.A O no hydrogen 2.812 N/A HIS 132.A NE2 ASP 192.A OD2 no hydrogen 2.942 N/A SER 133.A N LYS 129.A O no hydrogen 2.905 N/A SER 133.A OG LYS 129.A O no hydrogen 3.496 N/A SER 133.A OG TYR 130.A O no hydrogen 2.716 N/A ALA 134.A N ILE 131.A O no hydrogen 3.164 N/A ASP 135.A N HIS 132.A O no hydrogen 2.968 N/A ILE 136.A N ILE 131.A O no hydrogen 3.239 N/A HIS 138.A N ASP 192.A OD2 no hydrogen 2.777 N/A HIS 138.A NE2 LEU 157.A O no hydrogen 2.677 N/A ARG 139.A N ASP 192.A OD1 no hydrogen 2.883 N/A ARG 139.A NE TYR 187.A OH no hydrogen 3.176 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.153 N/A LYS 142.A N ASN 145.A OD1 no hydrogen 3.017 N/A LYS 142.A NZ ASP 140.A OD1 no hydrogen 3.270 N/A ASN 145.A N LYS 142.A O no hydrogen 3.149 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.665 N/A LEU 146.A N PRO 143.A O no hydrogen 3.353 N/A ALA 147.A N LYS 155.A O no hydrogen 3.046 N/A VAL 148.A N ALA 108.A O no hydrogen 2.809 N/A ASN 149.A N GLU 153.A O no hydrogen 3.013 N/A ASN 149.A ND2 GLU 153.A OE2 no hydrogen 2.743 N/A ASP 151.A N ASN 149.A OD1 no hydrogen 2.692 N/A CYS 152.A N ASN 149.A O no hydrogen 3.429 N/A GLU 153.A N ASN 149.A OD1 no hydrogen 3.248 N/A LEU 154.A N GLN 123.A OE1 no hydrogen 2.937 N/A LYS 155.A N ALA 147.A O no hydrogen 2.819 N/A LYS 155.A NZ GLU 78.A O no hydrogen 2.906 N/A ILE 156.A N ASN 79.A O no hydrogen 2.904 N/A LEU 157.A N ASN 145.A O no hydrogen 2.907 N/A GLY 160.A N HIS 138.A O no hydrogen 3.333 N/A THR 167.A N ASP 164.A O no hydrogen 3.134 N/A THR 167.A OG1 ASP 163.A O no hydrogen 2.555 N/A THR 172.A OG1 GLU 165.A O no hydrogen 2.399 N/A ARG 173.A N VAL 170.A O no hydrogen 3.265 N/A ARG 173.A NE GLN 218.A OE1 no hydrogen 2.883 N/A ARG 173.A NH1 MET 166.A O no hydrogen 2.732 N/A ARG 173.A NH1 GLY 168.A O no hydrogen 2.788 N/A ARG 173.A NH2 GLY 168.A O no hydrogen 3.160 N/A ARG 173.A NH2 GLN 218.A OE1 no hydrogen 3.121 N/A TRP 174.A NE1 GLY 212.A O no hydrogen 2.944 N/A TYR 175.A OH GLU 202.A OE1 no hydrogen 2.492 N/A TYR 175.A OH GLU 202.A OE2 no hydrogen 3.326 N/A ARG 176.A N ARG 173.A O no hydrogen 3.253 N/A ARG 176.A NH2 ARG 139.A O no hydrogen 2.853 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.908 N/A ILE 180.A N ALA 177.A O no hydrogen 3.092 N/A MET 181.A N ALA 177.A O no hydrogen 3.068 N/A LEU 182.A N PRO 178.A O no hydrogen 3.127 N/A ASN 183.A N ILE 180.A O no hydrogen 3.174 N/A TRP 184.A N GLU 179.A O no hydrogen 2.872 N/A GLN 189.A NE2 HIS 132.A O no hydrogen 2.761 N/A THR 190.A N ASN 188.A OD1 no hydrogen 2.902 N/A THR 190.A OG1 ASN 188.A OD1 no hydrogen 2.644 N/A THR 190.A OG1 SER 280.A O no hydrogen 2.843 N/A VAL 191.A N ASN 188.A O no hydrogen 3.312 N/A ASP 192.A N GLN 189.A O no hydrogen 3.138 N/A TRP 194.A N THR 190.A O no hydrogen 3.252 N/A SER 195.A N VAL 191.A O no hydrogen 3.313 N/A SER 195.A OG TYR 175.A O no hydrogen 2.706 N/A SER 195.A OG VAL 191.A O no hydrogen 3.295 N/A VAL 196.A N ASP 192.A O no hydrogen 2.954 N/A GLY 197.A N ILE 193.A O no hydrogen 3.006 N/A CYS 198.A N TRP 194.A O no hydrogen 3.015 N/A CYS 198.A SG TRP 174.A O no hydrogen 3.937 N/A CYS 198.A SG TRP 194.A O no hydrogen 3.500 N/A ILE 199.A N SER 195.A O no hydrogen 2.961 N/A MET 200.A N VAL 196.A O no hydrogen 2.795 N/A ALA 201.A N GLY 197.A O no hydrogen 3.003 N/A GLU 202.A N CYS 198.A O no hydrogen 3.156 N/A LEU 203.A N ILE 199.A O no hydrogen 2.925 N/A LEU 204.A N MET 200.A O no hydrogen 3.064 N/A THR 205.A N ALA 201.A O no hydrogen 2.921 N/A THR 205.A OG1 ALA 201.A O no hydrogen 2.944 N/A THR 205.A OG1 ARG 207.A O no hydrogen 3.209 N/A GLY 206.A N GLU 202.A O no hydrogen 2.706 N/A ARG 207.A N THR 205.A OG1 no hydrogen 3.164 N/A GLY 212.A N PHE 210.A O no hydrogen 2.785 N/A THR 213.A N ASP 217.A OD1 no hydrogen 2.972 N/A THR 213.A OG1 ASP 214.A OD1 no hydrogen 3.367 N/A ILE 216.A N ASP 214.A OD2 no hydrogen 2.944 N/A ASP 217.A N ASP 214.A OD2 no hydrogen 2.985 N/A GLN 218.A N ASP 214.A O no hydrogen 2.944 N/A GLN 218.A NE2 ARG 173.A O no hydrogen 2.842 N/A LEU 219.A N HIS 215.A O no hydrogen 2.987 N/A LYS 220.A N ILE 216.A O no hydrogen 3.063 N/A LEU 221.A N ASP 217.A O no hydrogen 3.045 N/A ILE 222.A N GLN 218.A O no hydrogen 2.895 N/A LEU 223.A N LEU 219.A O no hydrogen 2.841 N/A ARG 224.A N LYS 220.A O no hydrogen 3.001 N/A VAL 226.A N ILE 222.A O no hydrogen 3.009 N/A GLY 227.A N LEU 223.A O no hydrogen 2.813 N/A THR 228.A N MET 252.A O no hydrogen 3.044 N/A THR 228.A OG1 MET 252.A O no hydrogen 3.204 N/A LEU 234.A N GLY 230.A O no hydrogen 3.117 N/A LYS 235.A N ALA 231.A O no hydrogen 3.110 N/A LYS 236.A N LEU 233.A O no hydrogen 2.852 N/A LYS 236.A NZ ASP 279.A OD1 no hydrogen 2.800 N/A LYS 236.A NZ ASP 279.A OD2 no hydrogen 3.312 N/A LYS 236.A NZ ASP 281.A OD1 no hydrogen 2.750 N/A ILE 237.A N LEU 234.A O no hydrogen 3.163 N/A SER 238.A OG TRP 184.A O no hydrogen 3.409 N/A SER 239.A N TRP 184.A O no hydrogen 3.344 N/A ARG 243.A N SER 239.A O no hydrogen 3.068 N/A ARG 243.A NE LEU 234.A O no hydrogen 3.279 N/A ARG 243.A NE ILE 237.A O no hydrogen 2.969 N/A ASN 244.A N GLU 240.A O no hydrogen 3.067 N/A TYR 245.A N SER 241.A O no hydrogen 3.012 N/A ILE 246.A N ALA 242.A O no hydrogen 3.037 N/A GLN 247.A N ARG 243.A O no hydrogen 3.223 N/A SER 248.A N TYR 245.A O no hydrogen 2.955 N/A SER 248.A OG TYR 245.A O no hydrogen 2.535 N/A LEU 249.A N ILE 246.A O no hydrogen 3.066 N/A MET 252.A N THR 228.A OG1 no hydrogen 2.847 N/A LYS 254.A NZ MET 255.A O no hydrogen 2.917 N/A LYS 254.A NZ GLU 273.A OE2 no hydrogen 3.465 N/A MET 255.A N LEU 225.A O no hydrogen 2.831 N/A ALA 258.A N ASN 256.A OD1 no hydrogen 2.960 N/A ASN 259.A N ASN 256.A O no hydrogen 3.071 N/A VAL 260.A N PHE 257.A O no hydrogen 3.286 N/A PHE 261.A N PHE 257.A O no hydrogen 2.886 N/A ALA 264.A N PHE 261.A O no hydrogen 3.169 N/A ASN 265.A ND2 ASP 114.A OD1 no hydrogen 2.997 N/A LEU 267.A N ASN 265.A OD1 no hydrogen 3.030 N/A ALA 268.A N ASN 265.A O no hydrogen 2.779 N/A VAL 269.A N ASN 265.A O no hydrogen 3.058 N/A ASP 270.A N PRO 266.A O no hydrogen 2.988 N/A LEU 271.A N LEU 267.A O no hydrogen 3.119 N/A LEU 272.A N ALA 268.A O no hydrogen 2.983 N/A GLU 273.A N VAL 269.A O no hydrogen 3.022 N/A LYS 274.A N ASP 270.A O no hydrogen 3.250 N/A LYS 274.A N LEU 271.A O no hydrogen 2.915 N/A LYS 274.A NZ ASP 270.A OD2 no hydrogen 2.899 N/A MET 275.A N LEU 271.A O no hydrogen 2.950 N/A MET 275.A N LEU 272.A O no hydrogen 3.264 N/A LEU 276.A N LEU 272.A O no hydrogen 2.906 N/A ASP 281.A N ASP 279.A OD2 no hydrogen 3.172 N/A LYS 282.A N ASP 279.A O no hydrogen 3.032 N/A LYS 282.A NZ GLU 232.A OE1 no hydrogen 3.211 N/A LYS 282.A NZ GLU 232.A OE2 no hydrogen 2.938 N/A ARG 283.A NE VAL 277.A O no hydrogen 2.765 N/A ARG 283.A NH1 GLU 179.A OE1 no hydrogen 3.142 N/A ARG 283.A NH1 GLU 179.A OE2 no hydrogen 2.784 N/A ARG 283.A NH1 VAL 277.A O no hydrogen 3.462 N/A ARG 283.A NH1 LEU 278.A O no hydrogen 3.096 N/A ARG 283.A NH2 GLU 179.A OE1 no hydrogen 2.750 N/A ARG 283.A NH2 THR 190.A O no hydrogen 2.724 N/A ILE 284.A N LYS 274.A O no hydrogen 3.054 N/A THR 285.A N GLN 288.A OE1 no hydrogen 3.035 N/A GLN 288.A N THR 285.A OG1 no hydrogen 3.227 N/A ALA 289.A N THR 285.A O no hydrogen 2.969 N/A LEU 290.A N ALA 286.A O no hydrogen 3.134 N/A ALA 291.A N GLN 288.A O no hydrogen 3.177 N/A HIS 292.A N ALA 289.A O no hydrogen 3.101 N/A HIS 292.A NE2 ASP 270.A OD2 no hydrogen 2.618 N/A TYR 294.A N HIS 292.A ND1 no hydrogen 3.170 N/A TYR 294.A OH ASP 114.A OD2 no hydrogen 2.793 N/A PHE 295.A N HIS 292.A O no hydrogen 3.003 N/A ALA 296.A N ALA 293.A O no hydrogen 3.135 N/A TYR 298.A N PHE 295.A O no hydrogen 2.871 N/A HIS 299.A N PHE 295.A O no hydrogen 2.740 N/A HIS 299.A ND1 GLU 304.A OE2 no hydrogen 2.811 N/A ASP 300.A N GLU 304.A OE2 no hydrogen 3.148 N/A ASP 302.A N ASP 300.A OD1 no hydrogen 3.205 N/A ASP 303.A N ASP 300.A O no hydrogen 2.885 N/A ALA 307.A N SER 133.A OG no hydrogen 2.778 N/A GLN 312.A NE2 ASP 135.A O no hydrogen 2.622 N/A SER 313.A N ASP 311.A OD1 no hydrogen 3.017 N/A SER 313.A OG ASP 311.A OD1 no hydrogen 2.682 N/A GLU 315.A N GLN 312.A O no hydrogen 2.896 N/A SER 316.A N SER 313.A O no hydrogen 3.319 N/A SER 316.A OG SER 313.A O no hydrogen 3.289 N/A ARG 317.A N PHE 314.A O no hydrogen 3.106 N/A LEU 320.A N GLU 323.A OE2 no hydrogen 2.922 N/A TRP 324.A N LEU 320.A O no hydrogen 3.018 N/A LYS 325.A N ILE 321.A O no hydrogen 2.855 N/A LYS 325.A NZ PHE 96.A O no hydrogen 2.800 N/A SER 326.A N ASP 322.A O no hydrogen 2.999 N/A LEU 327.A N GLU 323.A O no hydrogen 3.045 N/A THR 328.A N TRP 324.A O no hydrogen 2.841 N/A THR 328.A OG1 TRP 324.A O no hydrogen 2.743 N/A TYR 329.A N LYS 325.A O no hydrogen 2.932 N/A ASP 330.A N SER 326.A O no hydrogen 3.013 N/A GLU 331.A N LEU 327.A O no hydrogen 3.102 N/A VAL 332.A N THR 328.A O no hydrogen 2.971 N/A ILE 333.A N TYR 329.A O no hydrogen 2.903 N/A SER 334.A N ASP 330.A O no hydrogen 2.959 N/A SER 334.A OG ASP 330.A O no hydrogen 2.808 N/A SER 334.A OG GLU 331.A O no hydrogen 3.421 N/A PHE 335.A N VAL 332.A O no hydrogen 3.383 N/A