Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3new_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 88.A O no hydrogen 2.996 N/A TYR 5.A N VAL 16.A O no hydrogen 3.002 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.616 N/A GLN 7.A N TRP 14.A O no hydrogen 3.083 N/A LEU 9.A N THR 12.A O no hydrogen 2.725 N/A THR 12.A OG1 ILE 13.A O no hydrogen 3.375 N/A TRP 14.A N GLN 7.A O no hydrogen 2.789 N/A GLU 15.A N.A TYR 99.A OH no hydrogen 2.984 N/A GLU 15.A N.B TYR 99.A OH no hydrogen 2.961 N/A VAL 16.A N TYR 5.A O no hydrogen 3.263 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 3.003 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 2.945 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.928 N/A TYR 20.A N PRO 17.A O no hydrogen 3.337 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.739 N/A GLN 21.A N PHE 38.A O no hydrogen 3.037 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.192 N/A GLN 21.A NE2 GLU 18.A OE1 no hydrogen 3.098 N/A SER 24.A N ALA 36.A O no hydrogen 2.933 N/A SER 24.A OG PRO 25.A O no hydrogen 3.168 N/A VAL 26.A N VAL 34.A O no hydrogen 2.966 N/A SER 33.A N LYS 50.A O no hydrogen 2.870 N/A VAL 34.A N GLY 27.A O no hydrogen 3.306 N/A CYS 35.A N VAL 48.A O no hydrogen 2.769 N/A CYS 35.A SG SER 24.A O no hydrogen 3.542 N/A ALA 36.A N SER 24.A O no hydrogen 2.662 N/A ALA 37.A N VAL 46.A O no hydrogen 3.010 N/A PHE 38.A N GLN 21.A O no hydrogen 2.893 N/A ASP 39.A N LEU 44.A O no hydrogen 2.910 N/A THR 40.A N ARG 19.A O no hydrogen 2.929 N/A THR 40.A OG1 ARG 19.A O no hydrogen 3.177 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.334 N/A THR 42.A N ASP 39.A O no hydrogen 3.017 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.940 N/A GLY 43.A N ASP 39.A O no hydrogen 2.728 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.163 N/A VAL 46.A N ALA 37.A O no hydrogen 2.873 N/A ALA 47.A N THR 102.A O no hydrogen 2.518 N/A VAL 48.A N CYS 35.A O no hydrogen 2.909 N/A LYS 49.A N LEU 100.A O no hydrogen 2.745 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 3.064 N/A LYS 50.A N SER 33.A O no hydrogen 2.716 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 3.021 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.962 N/A LEU 51.A N VAL 98.A O no hydrogen 3.268 N/A SER 52.A N.A TYR 31.A O no hydrogen 3.456 N/A SER 52.A N.B TYR 31.A O no hydrogen 3.397 N/A ARG 53.A NH1 GLN 56.A OE1.B no hydrogen 2.800 N/A HIS 60.A N SER 57.A OG no hydrogen 3.282 N/A ALA 61.A N SER 57.A O no hydrogen 3.181 N/A LYS 62.A N ILE 58.A O no hydrogen 3.165 N/A LYS 62.A NZ GLU 310.A O no hydrogen 2.835 N/A LYS 62.A NZ ARG 312.A O no hydrogen 3.536 N/A ARG 63.A N ILE 59.A O no hydrogen 3.248 N/A THR 64.A N HIS 60.A O no hydrogen 3.014 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.749 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.890 N/A TYR 65.A N ALA 61.A O no hydrogen 3.081 N/A ARG 66.A N LYS 62.A O no hydrogen 2.805 N/A ARG 66.A NE GLU 310.A OE2 no hydrogen 2.562 N/A ARG 66.A NH2 GLU 310.A OE1 no hydrogen 2.463 N/A ARG 66.A NH2 GLU 310.A OE2 no hydrogen 3.182 N/A GLU 67.A N ARG 63.A O no hydrogen 2.968 N/A LEU 68.A N THR 64.A O no hydrogen 2.992 N/A ARG 69.A N TYR 65.A O no hydrogen 2.937 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 2.749 N/A ARG 69.A NH2 ASP 306.A O no hydrogen 2.674 N/A LEU 70.A N ARG 66.A O no hydrogen 2.940 N/A LEU 71.A N GLU 67.A O no hydrogen 3.036 N/A LYS 72.A N LEU 68.A O no hydrogen 2.936 N/A LYS 72.A NZ GLU 326.A O no hydrogen 2.856 N/A LYS 72.A NZ GLU 326.A OE1 no hydrogen 2.631 N/A HIS 73.A N ARG 69.A O no hydrogen 3.207 N/A HIS 73.A N LEU 70.A O no hydrogen 3.261 N/A HIS 73.A NE2 ASP 303.A O no hydrogen 3.016 N/A MET 74.A N LEU 70.A O no hydrogen 3.117 N/A LYS 75.A N TYR 134.A OH no hydrogen 3.027 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.826 N/A ASN 78.A ND2 LEU 158.A O no hydrogen 3.250 N/A VAL 79.A N HIS 76.A O no hydrogen 3.091 N/A ILE 80.A N ILE 160.A O no hydrogen 3.026 N/A ASP 84.A N VAL 101.A O no hydrogen 3.420 N/A PHE 86.A N TYR 99.A O no hydrogen 2.998 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.538 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.345 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 3.069 N/A TYR 99.A N PHE 86.A O no hydrogen 2.899 N/A TYR 99.A OH GLU 15.A OE2.B no hydrogen 3.136 N/A LEU 100.A N LYS 49.A O no hydrogen 2.937 N/A VAL 101.A N ASP 84.A O no hydrogen 2.632 N/A THR 102.A N ALA 47.A O no hydrogen 2.696 N/A THR 102.A OG1 GLY 81.A O no hydrogen 2.816 N/A LEU 104.A N ARG 45.A O no hydrogen 3.206 N/A ASN 110.A N ASP 108.A OD1 no hydrogen 2.907 N/A ASN 111.A N ASP 108.A OD1 no hydrogen 3.197 N/A VAL 113.A N LEU 109.A O no hydrogen 3.222 N/A LYS 114.A N ASN 110.A O no hydrogen 3.303 N/A LYS 114.A NZ ASN 110.A OD1 no hydrogen 2.823 N/A CYS 115.A N ILE 112.A O no hydrogen 2.331 N/A CYS 115.A SG ASN 111.A O no hydrogen 3.717 N/A VAL 121.A N THR 117.A O no hydrogen 3.040 N/A GLN 122.A N ASP 118.A O no hydrogen 3.107 N/A GLN 122.A NE2 ASP 118.A O no hydrogen 3.458 N/A GLN 122.A NE2 ASP 118.A OD1 no hydrogen 2.841 N/A PHE 123.A N ASP 119.A O no hydrogen 3.240 N/A PHE 123.A N HIS 120.A O no hydrogen 3.103 N/A LEU 124.A N HIS 120.A O no hydrogen 3.041 N/A ILE 125.A N VAL 121.A O no hydrogen 2.819 N/A TYR 126.A N GLN 122.A O no hydrogen 2.956 N/A TYR 126.A OH GLU 299.A OE1 no hydrogen 2.618 N/A GLN 127.A N PHE 123.A O no hydrogen 3.054 N/A GLN 127.A NE2 PHE 123.A O no hydrogen 3.130 N/A GLN 127.A NE2 SER 156.A O no hydrogen 2.979 N/A ILE 128.A N LEU 124.A O no hydrogen 3.194 N/A LEU 129.A N ILE 125.A O no hydrogen 3.024 N/A ARG 130.A N TYR 126.A O no hydrogen 2.894 N/A ARG 130.A NE ASP 298.A O no hydrogen 2.793 N/A ARG 130.A NH1 GLU 77.A OE1 no hydrogen 2.759 N/A ARG 130.A NH1 ASN 78.A OD1 no hydrogen 2.828 N/A ARG 130.A NH2 GLU 77.A OE1 no hydrogen 3.073 N/A ARG 130.A NH2 ASP 298.A O no hydrogen 2.864 N/A GLY 131.A N GLN 127.A O no hydrogen 3.018 N/A LEU 132.A N ILE 128.A O no hydrogen 2.750 N/A LYS 133.A N LEU 129.A O no hydrogen 2.747 N/A LYS 133.A NZ GLU 299.A O no hydrogen 2.965 N/A TYR 134.A N ARG 130.A O no hydrogen 3.234 N/A TYR 134.A OH HIS 73.A O no hydrogen 3.302 N/A ILE 135.A N GLY 131.A O no hydrogen 2.959 N/A HIS 136.A N LEU 132.A O no hydrogen 2.831 N/A HIS 136.A NE2 ASP 187.A OD1 no hydrogen 2.745 N/A SER 137.A N LYS 133.A O no hydrogen 3.196 N/A SER 137.A N TYR 134.A O no hydrogen 3.181 N/A SER 137.A OG TYR 134.A O no hydrogen 2.644 N/A ALA 138.A N ILE 135.A O no hydrogen 3.157 N/A ASP 139.A N HIS 136.A O no hydrogen 2.920 N/A HIS 142.A N ASP 187.A OD1 no hydrogen 2.699 N/A HIS 142.A NE2 LEU 161.A O no hydrogen 2.711 N/A ARG 143.A N ASP 187.A OD2 no hydrogen 2.817 N/A ARG 143.A NE TYR 182.A OH no hydrogen 2.475 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.004 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 3.212 N/A LYS 146.A NZ ASP 144.A OD2 no hydrogen 2.619 N/A LYS 146.A NZ THR 167.A OG1 no hydrogen 2.842 N/A ASN 149.A N LYS 146.A O no hydrogen 2.890 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 3.006 N/A LEU 150.A N PRO 147.A O no hydrogen 2.954 N/A ALA 151.A N LYS 159.A O no hydrogen 2.900 N/A VAL 152.A N ALA 107.A O no hydrogen 2.875 N/A ASN 153.A N GLU 157.A O no hydrogen 2.927 N/A ASN 153.A ND2 ASP 155.A OD1 no hydrogen 3.291 N/A SER 156.A N ASN 153.A O no hydrogen 3.055 N/A LEU 158.A N GLN 127.A OE1 no hydrogen 2.830 N/A LYS 159.A N ALA 151.A O no hydrogen 2.775 N/A LYS 159.A NZ GLU 77.A O no hydrogen 3.114 N/A ILE 160.A N ASN 78.A O no hydrogen 2.983 N/A LEU 161.A N ASN 149.A O no hydrogen 3.082 N/A LEU 165.A N PHE 163.A O no hydrogen 2.809 N/A ARG 168.A NE GLY 207.A O no hydrogen 3.346 N/A TRP 169.A NE1 GLY 207.A O no hydrogen 2.801 N/A TYR 170.A OH GLU 197.A OE1 no hydrogen 2.425 N/A ARG 171.A N ARG 168.A O no hydrogen 3.447 N/A GLU 174.A N GLU 174.A OE2 no hydrogen 2.638 N/A ILE 175.A N ALA 172.A O no hydrogen 3.004 N/A MET 176.A N ALA 172.A O no hydrogen 3.196 N/A LEU 177.A N PRO 173.A O no hydrogen 2.979 N/A ASN 178.A N ILE 175.A O no hydrogen 2.758 N/A TRP 179.A N GLU 174.A O no hydrogen 2.907 N/A ASN 183.A ND2 SER 275.A OG no hydrogen 3.081 N/A GLN 184.A NE2 HIS 136.A O no hydrogen 2.816 N/A THR 185.A N ASN 183.A OD1 no hydrogen 2.671 N/A THR 185.A OG1 ASN 183.A OD1 no hydrogen 2.423 N/A THR 185.A OG1 SER 275.A O no hydrogen 3.237 N/A VAL 186.A N ASN 183.A O no hydrogen 3.488 N/A ASP 187.A N GLN 184.A O no hydrogen 2.975 N/A TRP 189.A N THR 185.A O no hydrogen 2.945 N/A SER 190.A N VAL 186.A O no hydrogen 3.371 N/A SER 190.A OG TYR 170.A O no hydrogen 2.793 N/A SER 190.A OG VAL 186.A O no hydrogen 3.306 N/A VAL 191.A N ASP 187.A O no hydrogen 3.050 N/A GLY 192.A N ILE 188.A O no hydrogen 2.946 N/A CYS 193.A N TRP 189.A O no hydrogen 3.106 N/A CYS 193.A SG TRP 189.A O no hydrogen 3.632 N/A ILE 194.A N SER 190.A O no hydrogen 2.814 N/A MET 195.A N VAL 191.A O no hydrogen 2.921 N/A ALA 196.A N GLY 192.A O no hydrogen 3.146 N/A GLU 197.A N CYS 193.A O no hydrogen 3.159 N/A LEU 198.A N ILE 194.A O no hydrogen 3.114 N/A LEU 199.A N MET 195.A O no hydrogen 3.150 N/A LEU 199.A N ALA 196.A O no hydrogen 2.978 N/A THR 200.A N ALA 196.A O no hydrogen 3.124 N/A THR 200.A OG1 ALA 196.A O no hydrogen 3.528 N/A GLY 201.A N GLU 197.A O no hydrogen 2.757 N/A ARG 202.A N THR 200.A OG1 no hydrogen 3.074 N/A GLY 207.A N GLN 213.A OE1 no hydrogen 2.917 N/A THR 208.A N ASP 212.A OD1 no hydrogen 2.633 N/A ILE 211.A N ASP 209.A OD1 no hydrogen 2.960 N/A ASP 212.A N ASP 209.A OD1 no hydrogen 2.907 N/A GLN 213.A N ASP 209.A O no hydrogen 2.914 N/A GLN 213.A NE2 PHE 205.A O no hydrogen 3.044 N/A LEU 214.A N HIS 210.A O no hydrogen 3.411 N/A LYS 215.A N ILE 211.A O no hydrogen 3.044 N/A LEU 216.A N ASP 212.A O no hydrogen 2.876 N/A ILE 217.A N GLN 213.A O no hydrogen 2.869 N/A LEU 218.A N LEU 214.A O no hydrogen 2.938 N/A ARG 219.A N LYS 215.A O no hydrogen 3.055 N/A LEU 220.A N ILE 217.A O no hydrogen 2.981 N/A VAL 221.A N ILE 217.A O no hydrogen 3.127 N/A GLY 222.A N LEU 218.A O no hydrogen 2.832 N/A THR 223.A N MET 247.A O no hydrogen 2.980 N/A THR 223.A OG1 MET 247.A O no hydrogen 3.303 N/A LEU 228.A N GLY 225.A O no hydrogen 3.467 N/A LEU 229.A N GLY 225.A O no hydrogen 3.258 N/A LEU 229.A N ALA 226.A O no hydrogen 3.222 N/A LYS 230.A N ALA 226.A O no hydrogen 3.338 N/A LYS 231.A N LEU 228.A O no hydrogen 2.892 N/A LYS 231.A NZ ASP 274.A OD1 no hydrogen 3.415 N/A LYS 231.A NZ ASP 276.A OD2 no hydrogen 2.805 N/A ILE 232.A N LEU 229.A O no hydrogen 3.431 N/A ALA 237.A N SER 234.A OG no hydrogen 3.173 N/A ARG 238.A N SER 234.A O no hydrogen 3.079 N/A ARG 238.A NH1 ILE 232.A O no hydrogen 2.691 N/A ARG 238.A NH1 SER 233.A O no hydrogen 2.849 N/A ASN 239.A N GLU 235.A O no hydrogen 2.894 N/A TYR 240.A N SER 236.A O no hydrogen 2.581 N/A ILE 241.A N.A ALA 237.A O no hydrogen 2.992 N/A ILE 241.A N.B ALA 237.A O no hydrogen 3.081 N/A GLN 242.A N ARG 238.A O no hydrogen 2.975 N/A SER 243.A N TYR 240.A O no hydrogen 2.918 N/A SER 243.A OG TYR 240.A O no hydrogen 2.992 N/A LEU 244.A N ILE 241.A O.A no hydrogen 3.311 N/A LEU 244.A N ILE 241.A O.B no hydrogen 2.871 N/A MET 247.A N THR 223.A OG1 no hydrogen 3.096 N/A LYS 249.A NZ MET 250.A O no hydrogen 3.438 N/A LYS 249.A NZ GLU 268.A OE1 no hydrogen 2.657 N/A MET 250.A N LEU 220.A O no hydrogen 2.832 N/A PHE 252.A N GLU 268.A OE1 no hydrogen 3.364 N/A ASN 254.A N ASN 251.A O no hydrogen 3.047 N/A VAL 255.A N ASN 251.A O no hydrogen 3.288 N/A PHE 256.A N PHE 252.A O no hydrogen 2.777 N/A ALA 259.A N PHE 256.A O no hydrogen 2.974 N/A LEU 262.A N ASN 260.A OD1 no hydrogen 2.678 N/A ALA 263.A N ASN 260.A O no hydrogen 2.565 N/A VAL 264.A N ASN 260.A O no hydrogen 3.056 N/A ASP 265.A N PRO 261.A O no hydrogen 3.034 N/A LEU 266.A N LEU 262.A O no hydrogen 3.184 N/A LEU 267.A N ALA 263.A O no hydrogen 3.220 N/A GLU 268.A N VAL 264.A O no hydrogen 3.057 N/A GLU 268.A N ASP 265.A O no hydrogen 3.042 N/A LYS 269.A N ASP 265.A O no hydrogen 3.183 N/A LYS 269.A NZ ASP 265.A OD1 no hydrogen 3.550 N/A LYS 269.A NZ ASP 265.A OD2 no hydrogen 3.036 N/A MET 270.A N.A LEU 267.A O no hydrogen 3.212 N/A LEU 271.A N LEU 267.A O no hydrogen 3.004 N/A ASP 276.A N ASP 274.A OD1 no hydrogen 2.634 N/A LYS 277.A N ASP 274.A O no hydrogen 2.788 N/A LYS 277.A NZ ASP 276.A O no hydrogen 3.095 N/A ARG 278.A NE VAL 272.A O no hydrogen 2.729 N/A ARG 278.A NH1 GLU 174.A OE1 no hydrogen 3.122 N/A ARG 278.A NH1 GLU 174.A OE2 no hydrogen 2.693 N/A ARG 278.A NH1 LEU 273.A O no hydrogen 3.131 N/A ARG 278.A NH2 GLU 174.A OE1 no hydrogen 2.655 N/A ARG 278.A NH2 THR 185.A O no hydrogen 3.104 N/A ILE 279.A N LYS 269.A O no hydrogen 2.891 N/A THR 280.A N GLN 283.A OE1 no hydrogen 3.091 N/A GLN 283.A N THR 280.A OG1 no hydrogen 3.041 N/A ALA 284.A N THR 280.A O no hydrogen 2.684 N/A ALA 284.A N ALA 281.A O no hydrogen 2.799 N/A LEU 285.A N ALA 281.A O no hydrogen 3.064 N/A ALA 286.A N GLN 283.A O no hydrogen 3.297 N/A HIS 287.A N ALA 284.A O no hydrogen 2.821 N/A HIS 287.A NE2 ASP 265.A OD2 no hydrogen 2.867 N/A TYR 289.A N HIS 287.A ND1 no hydrogen 2.985 N/A TYR 289.A OH ASP 118.A OD2 no hydrogen 3.303 N/A PHE 290.A N HIS 287.A O no hydrogen 2.948 N/A ALA 291.A N ALA 288.A O no hydrogen 2.917 N/A TYR 293.A N PHE 290.A O no hydrogen 2.816 N/A HIS 294.A N PHE 290.A O no hydrogen 2.742 N/A HIS 294.A ND1 GLU 299.A OE1 no hydrogen 2.700 N/A ASP 295.A N GLU 299.A OE1 no hydrogen 3.175 N/A ASP 297.A N ASP 295.A OD1 no hydrogen 3.044 N/A ASP 298.A N ASP 295.A O no hydrogen 2.824 N/A ALA 302.A N SER 137.A OG no hydrogen 2.707 N/A GLN 307.A NE2 ALA 138.A O no hydrogen 3.100 N/A GLN 307.A NE2 TYR 305.A O no hydrogen 2.725 N/A SER 308.A N ASP 306.A OD2 no hydrogen 2.947 N/A SER 308.A OG ASP 306.A OD2 no hydrogen 2.657 N/A GLU 310.A N GLN 307.A O no hydrogen 2.883 N/A SER 311.A N.A SER 308.A O no hydrogen 3.394 N/A SER 311.A N.B SER 308.A O no hydrogen 3.370 N/A SER 311.A OG.B SER 308.A O no hydrogen 2.915 N/A ARG 312.A N PHE 309.A O no hydrogen 3.170 N/A ARG 312.A NH2 SER 308.A OG no hydrogen 2.692 N/A LEU 315.A N GLU 318.A OE1 no hydrogen 2.663 N/A GLU 318.A N LEU 315.A O no hydrogen 2.786 N/A TRP 319.A N LEU 315.A O no hydrogen 3.048 N/A LYS 320.A N ILE 316.A O no hydrogen 3.318 N/A LYS 320.A NZ PHE 95.A O no hydrogen 2.600 N/A SER 321.A N GLU 318.A O no hydrogen 3.042 N/A LEU 322.A N GLU 318.A O no hydrogen 2.902 N/A LEU 322.A N TRP 319.A O no hydrogen 2.867 N/A THR 323.A N TRP 319.A O no hydrogen 2.846 N/A THR 323.A OG1 TRP 319.A O no hydrogen 3.065 N/A TYR 324.A N LYS 320.A O no hydrogen 3.110 N/A ASP 325.A N SER 321.A O no hydrogen 2.960 N/A GLU 326.A N LEU 322.A O no hydrogen 3.099 N/A VAL 327.A N THR 323.A O no hydrogen 2.814 N/A ILE 328.A N TYR 324.A O no hydrogen 3.113 N/A SER 329.A N ASP 325.A O no hydrogen 2.930 N/A SER 329.A OG ASP 325.A O no hydrogen 2.994 N/A PHE 330.A N VAL 327.A O no hydrogen 3.228 N/A