Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g90_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASN 1.A OD1 no hydrogen 2.863 N/A TYR 4.A N VAL 15.A O no hydrogen 2.983 N/A TYR 4.A OH TYR 19.A O no hydrogen 2.537 N/A SER 5.A OG THR 14.A OG1 no hydrogen 2.590 N/A VAL 6.A N PHE 13.A O no hydrogen 2.891 N/A VAL 8.A N SER 11.A O no hydrogen 2.738 N/A PHE 13.A N VAL 6.A O no hydrogen 2.827 N/A THR 14.A N TYR 96.A OH no hydrogen 3.059 N/A THR 14.A OG1 SER 5.A OG no hydrogen 2.590 N/A VAL 15.A N TYR 4.A O no hydrogen 3.047 N/A LYS 17.A N GLN 2.A O no hydrogen 2.945 N/A LYS 17.A NZ ASN 1.A O no hydrogen 2.446 N/A ARG 18.A NE ASP 36.A OD1 no hydrogen 3.004 N/A ARG 18.A NH2 ASP 36.A OD1 no hydrogen 3.500 N/A ARG 18.A NH2 ASP 36.A OD2 no hydrogen 2.870 N/A TYR 19.A N LEU 16.A O no hydrogen 3.311 N/A GLN 20.A N TYR 35.A O no hydrogen 2.708 N/A LYS 23.A N ALA 33.A O no hydrogen 2.865 N/A ILE 25.A N VAL 31.A O no hydrogen 3.013 N/A VAL 31.A N GLY 26.A O no hydrogen 2.754 N/A CYS 32.A N ILE 45.A O no hydrogen 2.801 N/A ALA 33.A N LYS 23.A O no hydrogen 2.685 N/A ALA 34.A N VAL 43.A O no hydrogen 2.859 N/A TYR 35.A N GLN 20.A O no hydrogen 2.651 N/A TYR 35.A OH ASP 40.A OD1 no hydrogen 2.644 N/A ASP 36.A N ARG 41.A O no hydrogen 2.799 N/A ALA 37.A N ARG 18.A O no hydrogen 2.847 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 3.028 N/A ASP 40.A N ASP 36.A O no hydrogen 2.846 N/A ARG 41.A N ASP 36.A O no hydrogen 3.331 N/A VAL 43.A N ALA 34.A O no hydrogen 2.856 N/A ALA 44.A N MET 99.A O no hydrogen 2.904 N/A ILE 45.A N CYS 32.A O no hydrogen 2.670 N/A LYS 46.A N LEU 97.A O no hydrogen 2.914 N/A LYS 46.A NZ GLN 28.A OE1 no hydrogen 3.185 N/A LYS 46.A NZ GLU 64.A OE1 no hydrogen 2.754 N/A LYS 46.A NZ GLU 64.A OE2 no hydrogen 3.469 N/A LYS 47.A N ILE 30.A O no hydrogen 2.918 N/A LYS 47.A NZ THR 12.A O no hydrogen 2.904 N/A LEU 48.A N VAL 95.A O no hydrogen 2.605 N/A ARG 50.A N GLN 93.A O no hydrogen 2.952 N/A GLN 53.A N ARG 50.A O no hydrogen 2.848 N/A GLN 53.A NE2 SER 49.A O no hydrogen 3.110 N/A GLN 53.A NE2 ARG 50.A O no hydrogen 3.196 N/A ASN 54.A ND2 HIS 57.A ND1 no hydrogen 3.043 N/A HIS 57.A N ASN 54.A OD1 no hydrogen 2.838 N/A ALA 58.A N ASN 54.A O no hydrogen 2.971 N/A LYS 59.A N GLN 55.A O no hydrogen 2.912 N/A LYS 59.A NZ ARG 328.A O no hydrogen 2.634 N/A ARG 60.A N THR 56.A O no hydrogen 3.236 N/A ARG 60.A NH2 ASP 160.A OD2 no hydrogen 2.876 N/A ALA 61.A N HIS 57.A O no hydrogen 3.082 N/A TYR 62.A N ALA 58.A O no hydrogen 2.987 N/A ARG 63.A N LYS 59.A O no hydrogen 2.883 N/A ARG 63.A NH1 PHE 161.A O no hydrogen 3.254 N/A ARG 63.A NH2 PHE 161.A O no hydrogen 2.974 N/A GLU 64.A N ARG 60.A O no hydrogen 2.786 N/A LEU 65.A N ALA 61.A O no hydrogen 2.965 N/A VAL 66.A N TYR 62.A O no hydrogen 3.057 N/A LEU 67.A N ARG 63.A O no hydrogen 3.093 N/A MET 68.A N GLU 64.A O no hydrogen 3.159 N/A LYS 69.A NZ GLU 342.A O no hydrogen 2.806 N/A LYS 69.A NZ GLU 342.A OE2 no hydrogen 2.865 N/A CYS 70.A N VAL 66.A O no hydrogen 3.312 N/A CYS 70.A SG VAL 66.A O no hydrogen 3.724 N/A ASN 75.A ND2 GLN 125.A OE1 no hydrogen 3.255 N/A ASN 75.A ND2 LEU 156.A O no hydrogen 2.951 N/A ILE 76.A N HIS 73.A O no hydrogen 3.091 N/A ILE 77.A N ILE 158.A O no hydrogen 2.780 N/A SER 78.A N GLU 100.A OE2 no hydrogen 3.141 N/A LEU 80.A N VAL 98.A O no hydrogen 2.598 N/A ASN 81.A N VAL 98.A O no hydrogen 3.330 N/A ASN 81.A ND2 TYR 19.A OH no hydrogen 2.958 N/A PHE 83.A N TYR 96.A O no hydrogen 3.114 N/A THR 84.A OG1 ASP 94.A O no hydrogen 2.766 N/A GLN 86.A NE2 ASP 94.A O no hydrogen 3.562 N/A GLU 90.A N GLU 90.A OE2 no hydrogen 2.777 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.293 N/A PHE 92.A N LEU 89.A O no hydrogen 3.337 N/A VAL 95.A N LEU 48.A O no hydrogen 2.870 N/A TYR 96.A N PHE 83.A O no hydrogen 2.877 N/A LEU 97.A N LYS 46.A O no hydrogen 2.900 N/A VAL 98.A N ASN 81.A O no hydrogen 2.803 N/A MET 99.A N ALA 44.A O no hydrogen 2.869 N/A GLU 100.A N SER 78.A O no hydrogen 3.155 N/A ASP 103.A N VAL 150.A O no hydrogen 2.841 N/A ALA 104.A N VAL 150.A O no hydrogen 3.050 N/A ASN 105.A N GLN 108.A OE1 no hydrogen 3.159 N/A LEU 106.A N ILE 148.A O no hydrogen 2.780 N/A GLN 108.A N ASN 105.A O no hydrogen 3.270 N/A ILE 110.A N LEU 106.A O no hydrogen 3.027 N/A MET 112.A N VAL 109.A O no hydrogen 3.196 N/A HIS 116.A ND1 TYR 306.A OH no hydrogen 2.745 N/A HIS 116.A NE2 PRO 267.A O no hydrogen 3.215 N/A ARG 118.A N ASP 115.A OD2 no hydrogen 3.098 N/A ARG 118.A NH1 ASP 115.A OD1 no hydrogen 2.522 N/A MET 119.A N ASP 115.A O no hydrogen 3.043 N/A SER 120.A N HIS 116.A O no hydrogen 2.925 N/A SER 120.A OG HIS 116.A O no hydrogen 2.739 N/A SER 120.A OG GLU 117.A O no hydrogen 3.271 N/A TYR 121.A N GLU 117.A O no hydrogen 3.092 N/A LEU 122.A N ARG 118.A O no hydrogen 3.024 N/A LEU 123.A N MET 119.A O no hydrogen 3.204 N/A TYR 124.A N SER 120.A O no hydrogen 2.847 N/A TYR 124.A OH GLU 315.A OE1 no hydrogen 2.622 N/A GLN 125.A N TYR 121.A O no hydrogen 3.036 N/A GLN 125.A NE2 TYR 121.A O no hydrogen 3.197 N/A GLN 125.A NE2 CYS 154.A O no hydrogen 3.147 N/A MET 126.A N LEU 122.A O no hydrogen 3.023 N/A LEU 127.A N LEU 123.A O no hydrogen 3.079 N/A CYS 128.A N TYR 124.A O no hydrogen 2.891 N/A CYS 128.A SG TYR 124.A O no hydrogen 3.425 N/A CYS 128.A SG GLU 315.A O no hydrogen 3.979 N/A GLY 129.A N GLN 125.A O no hydrogen 2.800 N/A ILE 130.A N MET 126.A O no hydrogen 3.141 N/A LYS 131.A N LEU 127.A O no hydrogen 3.029 N/A LYS 131.A NZ ASP 299.A OD1 no hydrogen 3.330 N/A LYS 131.A NZ VAL 316.A O no hydrogen 3.158 N/A HIS 132.A N CYS 128.A O no hydrogen 3.125 N/A LEU 133.A N GLY 129.A O no hydrogen 3.197 N/A HIS 134.A N ILE 130.A O no hydrogen 2.969 N/A HIS 134.A NE2 ASP 193.A OD2 no hydrogen 2.997 N/A SER 135.A N LYS 131.A O no hydrogen 3.173 N/A SER 135.A OG HIS 132.A O no hydrogen 2.812 N/A ALA 136.A N LEU 133.A O no hydrogen 3.099 N/A GLY 137.A N HIS 134.A O no hydrogen 2.952 N/A ILE 138.A N LEU 133.A O no hydrogen 2.803 N/A HIS 140.A N ASP 193.A OD2 no hydrogen 2.985 N/A HIS 140.A NE2 ASP 160.A O no hydrogen 3.129 N/A HIS 140.A NE2 ASP 160.A OD1 no hydrogen 3.132 N/A ARG 141.A N ASP 193.A OD1 no hydrogen 2.753 N/A ARG 141.A NH1 ILE 139.A O no hydrogen 3.299 N/A ARG 141.A NH1 LEU 163.A O no hydrogen 3.347 N/A ARG 141.A NH1 ALA 164.A O no hydrogen 3.393 N/A ARG 141.A NH2 ALA 164.A O no hydrogen 2.978 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.045 N/A LYS 144.A NZ ASP 142.A OD1 no hydrogen 2.981 N/A LYS 144.A NZ ASP 142.A OD2 no hydrogen 3.040 N/A LYS 144.A NZ THR 174.A O no hydrogen 3.324 N/A ASN 147.A N LYS 144.A O no hydrogen 3.048 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 3.084 N/A ILE 148.A N PRO 145.A O no hydrogen 3.347 N/A VAL 149.A N LYS 157.A O no hydrogen 2.966 N/A VAL 150.A N ALA 104.A O no hydrogen 2.874 N/A LYS 151.A N THR 155.A O no hydrogen 2.948 N/A SER 152.A N ASP 103.A OD2 no hydrogen 2.849 N/A SER 152.A OG ASP 103.A OD2 no hydrogen 2.997 N/A CYS 154.A N LYS 151.A O no hydrogen 2.824 N/A CYS 154.A SG ARG 118.A O no hydrogen 3.904 N/A THR 155.A N ASP 153.A OD1 no hydrogen 3.077 N/A THR 155.A OG1 ASP 153.A OD1 no hydrogen 2.681 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 2.895 N/A LYS 157.A N VAL 149.A O no hydrogen 2.897 N/A LYS 157.A NZ LYS 74.A O no hydrogen 2.906 N/A LYS 157.A NZ GLU 100.A OE1 no hydrogen 3.421 N/A LYS 157.A NZ GLU 100.A OE2 no hydrogen 2.559 N/A ILE 158.A N ASN 75.A O no hydrogen 2.864 N/A LEU 159.A N ASN 147.A O no hydrogen 2.790 N/A LEU 163.A N HIS 140.A O no hydrogen 3.023 N/A TYR 177.A OH GLU 203.A OE1 no hydrogen 2.550 N/A ARG 178.A N ARG 175.A O no hydrogen 3.023 N/A ARG 178.A NE TYR 216.A OH no hydrogen 3.373 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.855 N/A VAL 182.A N ALA 179.A O no hydrogen 2.950 N/A ILE 183.A N ALA 179.A O no hydrogen 2.870 N/A LEU 184.A N PRO 180.A O no hydrogen 3.027 N/A GLY 185.A N VAL 182.A O no hydrogen 3.067 N/A MET 186.A N GLU 181.A O no hydrogen 2.804 N/A ASN 191.A ND2 PRO 292.A O no hydrogen 2.618 N/A ASN 191.A ND2 ARG 295.A O no hydrogen 3.153 N/A VAL 192.A N LYS 189.A O no hydrogen 3.237 N/A ASP 193.A N GLU 190.A O no hydrogen 3.258 N/A SER 196.A OG TYR 177.A O no hydrogen 2.710 N/A VAL 197.A N ASP 193.A O no hydrogen 3.121 N/A GLY 198.A N ILE 194.A O no hydrogen 2.997 N/A CYS 199.A N TRP 195.A O no hydrogen 3.038 N/A CYS 199.A SG TYR 176.A O no hydrogen 3.951 N/A CYS 199.A SG TRP 195.A O no hydrogen 3.603 N/A ILE 200.A N SER 196.A O no hydrogen 3.056 N/A MET 201.A N VAL 197.A O no hydrogen 2.963 N/A GLY 202.A N GLY 198.A O no hydrogen 2.987 N/A GLU 203.A N CYS 199.A O no hydrogen 2.995 N/A MET 204.A N ILE 200.A O no hydrogen 2.747 N/A VAL 205.A N MET 201.A O no hydrogen 3.240 N/A ARG 206.A N GLY 202.A O no hydrogen 2.944 N/A ARG 206.A NH1 GLN 226.A OE1 no hydrogen 2.673 N/A ARG 206.A NH2 GLN 226.A OE1 no hydrogen 3.271 N/A ARG 206.A NH2 LEU 260.A O no hydrogen 2.955 N/A HIS 207.A N GLU 203.A O no hydrogen 2.655 N/A HIS 207.A ND1 ILE 110.A O no hydrogen 2.679 N/A ASP 218.A N ASP 215.A OD2 no hydrogen 2.468 N/A GLN 219.A N ASP 215.A O no hydrogen 2.775 N/A TRP 220.A N TYR 216.A O no hydrogen 3.120 N/A TRP 220.A N ILE 217.A O no hydrogen 3.123 N/A ASN 221.A N ILE 217.A O no hydrogen 3.231 N/A LYS 222.A N ASP 218.A O no hydrogen 3.236 N/A LYS 222.A NZ ASP 218.A OD1 no hydrogen 3.483 N/A VAL 223.A N GLN 219.A O no hydrogen 3.246 N/A ILE 224.A N TRP 220.A O no hydrogen 3.086 N/A GLU 225.A N ASN 221.A O no hydrogen 3.000 N/A GLN 226.A N LYS 222.A O no hydrogen 3.441 N/A GLN 226.A NE2 LEU 210.A O no hydrogen 2.864 N/A GLN 226.A NE2 LYS 222.A O no hydrogen 3.486 N/A LEU 227.A N VAL 223.A O no hydrogen 2.925 N/A GLY 228.A N ILE 224.A O no hydrogen 2.705 N/A THR 229.A N TYR 252.A O no hydrogen 3.027 N/A MET 235.A N CYS 231.A O no hydrogen 2.996 N/A LYS 236.A N PRO 232.A O no hydrogen 2.834 N/A LYS 237.A N PHE 234.A O no hydrogen 3.086 N/A LYS 237.A NZ ASP 291.A OD1 no hydrogen 2.610 N/A LEU 238.A N MET 235.A O no hydrogen 3.032 N/A ARG 243.A N GLN 239.A O no hydrogen 2.720 N/A ARG 243.A NE LEU 238.A O no hydrogen 3.150 N/A ASN 244.A N PRO 240.A O no hydrogen 2.884 N/A VAL 246.A N VAL 242.A O no hydrogen 2.953 N/A GLU 247.A N ARG 243.A O no hydrogen 3.062 N/A ASN 248.A N TYR 245.A O no hydrogen 3.368 N/A ASN 248.A ND2 ASN 244.A O no hydrogen 2.614 N/A ARG 249.A NH1 TYR 245.A O no hydrogen 2.712 N/A TYR 252.A N THR 229.A OG1 no hydrogen 3.226 N/A LEU 255.A N GLN 226.A O no hydrogen 2.811 N/A LEU 260.A N THR 256.A O no hydrogen 3.059 N/A PHE 261.A N PHE 257.A O no hydrogen 2.808 N/A LEU 265.A N PRO 262.A O no hydrogen 3.241 N/A PHE 266.A N ASP 263.A O no hydrogen 2.902 N/A ASP 269.A N ASP 269.A OD1 no hydrogen 2.331 N/A SER 270.A N ASP 269.A OD1 no hydrogen 2.801 N/A ASN 273.A ND2 ASP 269.A OD1 no hydrogen 2.862 N/A LYS 274.A N SER 270.A O no hydrogen 2.822 N/A LYS 274.A NZ ALA 268.A O no hydrogen 3.313 N/A LEU 275.A N GLU 271.A O no hydrogen 3.057 N/A LYS 276.A N HIS 272.A O no hydrogen 3.071 N/A LYS 276.A NZ GLN 279.A OE1 no hydrogen 2.970 N/A ALA 277.A N ASN 273.A O no hydrogen 2.943 N/A SER 278.A N LYS 274.A O no hydrogen 3.413 N/A SER 278.A OG LEU 275.A O no hydrogen 2.817 N/A GLN 279.A N LEU 275.A O no hydrogen 3.103 N/A ALA 280.A N LYS 276.A O no hydrogen 2.761 N/A ARG 281.A N ALA 277.A O no hydrogen 3.090 N/A ARG 281.A NE PHE 261.A O no hydrogen 2.996 N/A ARG 281.A NH2 PHE 261.A O no hydrogen 3.349 N/A ARG 281.A NH2 ASP 263.A OD1 no hydrogen 2.724 N/A ASP 282.A N SER 278.A O no hydrogen 3.110 N/A LEU 283.A N GLN 279.A O no hydrogen 3.110 N/A LEU 284.A N ALA 280.A O no hydrogen 3.087 N/A SER 285.A N ARG 281.A O no hydrogen 3.022 N/A SER 285.A OG ASP 282.A O no hydrogen 2.506 N/A LYS 286.A N LEU 283.A O no hydrogen 3.105 N/A LYS 286.A NZ ASP 282.A OD2 no hydrogen 3.042 N/A MET 287.A N LEU 283.A O no hydrogen 3.095 N/A MET 287.A N LEU 284.A O no hydrogen 3.204 N/A LEU 288.A N LEU 284.A O no hydrogen 2.831 N/A ALA 293.A N ASP 291.A OD1 no hydrogen 3.392 N/A LYS 294.A N ASP 291.A O no hydrogen 2.895 N/A LYS 294.A NZ GLU 233.A OE1 no hydrogen 2.824 N/A LYS 294.A NZ ASP 291.A OD2 no hydrogen 2.910 N/A ARG 295.A N PRO 292.A O no hydrogen 3.375 N/A ARG 295.A NE VAL 289.A O no hydrogen 2.720 N/A ARG 295.A NH1 GLU 181.A OE1 no hydrogen 3.261 N/A ARG 295.A NH1 GLU 181.A OE2 no hydrogen 2.827 N/A ARG 295.A NH1 ASN 191.A O no hydrogen 3.009 N/A ARG 295.A NH2 GLU 181.A OE1 no hydrogen 3.000 N/A ARG 295.A NH2 VAL 289.A O no hydrogen 2.880 N/A ILE 296.A N LYS 286.A O no hydrogen 3.044 N/A ASP 300.A N SER 297.A OG no hydrogen 3.078 N/A ALA 301.A N SER 297.A O no hydrogen 3.093 N/A LEU 302.A N VAL 298.A O no hydrogen 3.092 N/A GLN 303.A N ASP 299.A O no hydrogen 3.168 N/A HIS 304.A N ALA 301.A O no hydrogen 3.411 N/A HIS 304.A NE2 GLN 279.A O no hydrogen 3.196 N/A TYR 306.A OH HIS 116.A ND1 no hydrogen 2.745 N/A ILE 307.A N HIS 304.A O no hydrogen 2.817 N/A ASN 308.A N HIS 304.A O no hydrogen 2.756 N/A TRP 310.A N ILE 307.A O no hydrogen 3.132 N/A TRP 310.A NE1 SER 120.A OG no hydrogen 2.945 N/A TYR 311.A N ASN 308.A O no hydrogen 3.125 N/A ASP 312.A N TYR 124.A OH no hydrogen 2.918 N/A ALA 314.A N ASP 312.A OD1 no hydrogen 2.965 N/A GLU 315.A N ASP 312.A O no hydrogen 2.908 N/A VAL 316.A N ASP 312.A O no hydrogen 2.754 N/A GLU 317.A N PRO 313.A O no hydrogen 2.895 N/A ARG 328.A NE HIS 330.A NE2 no hydrogen 3.260 N/A HIS 330.A ND1 GLU 334.A OE1 no hydrogen 3.264 N/A THR 331.A N GLU 334.A OE1 no hydrogen 3.025 N/A TRP 335.A N THR 331.A O no hydrogen 3.078 N/A LYS 336.A N ILE 332.A O no hydrogen 2.905 N/A LYS 336.A NZ LEU 89.A O no hydrogen 3.205 N/A LYS 336.A NZ GLU 90.A O no hydrogen 3.550 N/A GLU 337.A N GLU 333.A O no hydrogen 3.318 N/A LEU 338.A N GLU 334.A O no hydrogen 3.077 N/A ILE 339.A N TRP 335.A O no hydrogen 2.993 N/A TYR 340.A N LYS 336.A O no hydrogen 3.046 N/A LYS 341.A N GLU 337.A O no hydrogen 2.738 N/A GLU 342.A N LEU 338.A O no hydrogen 3.066 N/A VAL 343.A N ILE 339.A O no hydrogen 2.743 N/A MET 344.A N TYR 340.A O no hydrogen 2.759 N/A ASN 345.A N LYS 341.A O no hydrogen 2.686 N/A