Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jpw_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 GLU 48.A OE2 no hydrogen 3.113 N/A LYS 3.A N GLN 343.A O no hydrogen 3.045 N/A ALA 5.A N VAL 341.A O no hydrogen 3.266 N/A LEU 9.A N GLN 60.A OE1 no hydrogen 3.332 N/A PHE 10.A N CYS 102.A O no hydrogen 3.229 N/A CYS 11.A SG ALA 30.A O no hydrogen 3.507 N/A ALA 12.A N HIS 100.A O no hydrogen 2.736 N/A SER 13.A N VAL 32.A O no hydrogen 3.018 N/A LYS 16.A N ASN 24.A OD1 no hydrogen 3.363 N/A LYS 16.A NZ ASP 14.A O no hydrogen 2.687 N/A GLU 21.A N GLU 19.A OE2 no hydrogen 3.337 N/A VAL 22.A N SER 93.A O no hydrogen 2.968 N/A HIS 23.A N GLU 21.A OE2 no hydrogen 2.985 N/A HIS 23.A ND1 GLU 21.A OE2 no hydrogen 2.763 N/A ASN 24.A N GLU 21.A OE1 no hydrogen 2.863 N/A ASN 24.A ND2 GLU 21.A OE1 no hydrogen 2.640 N/A VAL 25.A N GLU 21.A O no hydrogen 3.019 N/A TRP 26.A N VAL 22.A O no hydrogen 3.021 N/A ALA 27.A N HIS 23.A O no hydrogen 2.999 N/A THR 28.A N ASN 24.A O no hydrogen 2.995 N/A THR 28.A N VAL 25.A O no hydrogen 3.263 N/A THR 28.A OG1 LYS 16.A O no hydrogen 3.325 N/A THR 28.A OG1 ASN 24.A O no hydrogen 2.771 N/A HIS 29.A N TRP 26.A O no hydrogen 3.187 N/A ALA 30.A N TRP 26.A O no hydrogen 2.910 N/A CYS 31.A N ALA 27.A O no hydrogen 3.129 N/A VAL 32.A N CYS 11.A O no hydrogen 2.885 N/A THR 34.A OG1 ASP 14.A OD2 no hydrogen 3.259 N/A ASN 37.A N ASP 35.A OD1 no hydrogen 3.074 N/A ILE 41.A N SER 128.A O no hydrogen 3.123 N/A HIS 42.A ND1 GLU 44.A OE1 no hydrogen 3.034 N/A LEU 43.A N VAL 126.A O no hydrogen 2.935 N/A GLU 48.A N CYS 123.A O no hydrogen 3.263 N/A PHE 50.A N GLY 121.A O no hydrogen 2.898 N/A MET 52.A N GLY 119.A O no hydrogen 3.132 N/A TRP 53.A N ASN 51.A OD1 no hydrogen 3.346 N/A LYS 54.A N ASN 51.A O no hydrogen 3.081 N/A ASN 55.A ND2 LEU 336.A O no hydrogen 3.240 N/A MET 57.A N ASN 55.A OD1 no hydrogen 3.350 N/A VAL 58.A N ASN 55.A O no hydrogen 2.911 N/A GLN 60.A N ASN 56.A O no hydrogen 3.124 N/A GLN 60.A NE2 THR 7.A O no hydrogen 3.180 N/A MET 61.A N MET 57.A O no hydrogen 2.992 N/A GLN 62.A N VAL 58.A O no hydrogen 3.114 N/A GLU 63.A N GLU 59.A O no hydrogen 3.392 N/A ASP 64.A N GLN 60.A O no hydrogen 3.293 N/A VAL 65.A N MET 61.A O no hydrogen 2.999 N/A ILE 66.A N GLN 62.A O no hydrogen 2.834 N/A SER 67.A N GLU 63.A O no hydrogen 3.007 N/A LEU 68.A N ASP 64.A O no hydrogen 2.747 N/A TRP 69.A N VAL 65.A O no hydrogen 2.950 N/A ASP 70.A N ILE 66.A O no hydrogen 3.063 N/A GLN 71.A N SER 67.A O no hydrogen 3.434 N/A GLN 71.A NE2 SER 67.A O no hydrogen 3.332 N/A SER 72.A N TRP 69.A O no hydrogen 3.308 N/A SER 72.A OG LEU 68.A O no hydrogen 2.633 N/A LEU 73.A N TRP 69.A O no hydrogen 3.176 N/A CYS 76.A N MET 287.A O no hydrogen 2.745 N/A VAL 77.A N MET 287.A O no hydrogen 3.324 N/A LYS 78.A N ILE 85.A O no hydrogen 2.990 N/A LEU 79.A N GLN 285.A O no hydrogen 2.804 N/A THR 80.A N LYS 78.A O no hydrogen 3.068 N/A ILE 85.A N LYS 78.A O no hydrogen 3.300 N/A GLN 87.A N CYS 76.A O no hydrogen 2.830 N/A GLN 87.A NE2 PRO 75.A O no hydrogen 3.477 N/A LYS 91.A NZ GLU 242.A OE2 no hydrogen 3.295 N/A LYS 91.A NZ PRO 290.A O no hydrogen 3.024 N/A ASP 95.A N GLU 21.A OE2 no hydrogen 2.617 N/A ILE 99.A N ILE 135.A O no hydrogen 2.876 N/A HIS 100.A N ALA 12.A O no hydrogen 2.790 N/A HIS 100.A ND1 THR 132.A O no hydrogen 2.896 N/A TYR 101.A N THR 132.A OG1 no hydrogen 3.000 N/A TYR 101.A OH ASP 64.A OD2 no hydrogen 2.730 N/A CYS 102.A N PHE 10.A O no hydrogen 2.892 N/A THR 103.A N GLN 130.A O no hydrogen 3.136 N/A THR 103.A OG1 GLN 130.A O no hydrogen 3.458 N/A TYR 107.A N PRO 104.A O no hydrogen 3.309 N/A VAL 108.A N VAL 342.A O no hydrogen 3.195 N/A ILE 109.A N VAL 129.A O no hydrogen 3.063 N/A LEU 110.A N LYS 340.A O no hydrogen 3.003 N/A LYS 111.A N SER 127.A O no hydrogen 2.771 N/A LYS 111.A NZ TYR 339.A OH no hydrogen 3.297 N/A CYS 112.A N LYS 338.A O no hydrogen 3.115 N/A ASN 113.A N ASN 125.A O no hydrogen 2.895 N/A ASN 116.A ND2 GLU 152.A OE1 no hydrogen 2.978 N/A CYS 123.A SG ASP 114.A OD2 no hydrogen 3.305 N/A CYS 123.A SG ASN 125.A O no hydrogen 3.285 N/A LYS 124.A N ASP 114.A OD2 no hydrogen 3.186 N/A SER 127.A N LYS 111.A O no hydrogen 2.940 N/A SER 127.A OG GLU 40.A OE2 no hydrogen 3.341 N/A SER 127.A OG ASN 113.A OD1 no hydrogen 3.115 N/A SER 128.A N ILE 41.A O no hydrogen 2.952 N/A SER 128.A OG ILE 41.A O no hydrogen 3.300 N/A VAL 129.A N ILE 109.A O no hydrogen 3.006 N/A GLN 130.A NE2 GLN 39.A O no hydrogen 3.617 N/A THR 132.A N TYR 101.A O no hydrogen 2.862 N/A THR 132.A OG1 HIS 133.A O no hydrogen 3.258 N/A HIS 133.A N TYR 339.A OH no hydrogen 3.365 N/A HIS 133.A ND1 TYR 339.A OH no hydrogen 2.746 N/A ILE 135.A N ILE 99.A O no hydrogen 2.909 N/A SER 140.A OG LEU 143.A O no hydrogen 2.794 N/A THR 141.A N SER 236.A O no hydrogen 3.116 N/A THR 141.A OG1 GLU 231.A O no hydrogen 2.715 N/A THR 141.A OG1 MET 234.A O no hydrogen 3.118 N/A GLN 142.A N GLY 324.A O no hydrogen 3.025 N/A GLN 142.A NE2 ILE 232.A O no hydrogen 2.648 N/A LEU 143.A N THR 141.A O no hydrogen 2.464 N/A LEU 144.A N GLY 304.A O no hydrogen 2.773 N/A ASN 146.A N ASN 301.A O no hydrogen 2.960 N/A SER 148.A N GLU 335.A OE2 no hydrogen 2.965 N/A SER 148.A OG GLU 335.A OE1 no hydrogen 2.830 N/A SER 148.A OG GLU 335.A OE2 no hydrogen 3.519 N/A ALA 150.A N LEU 172.A O no hydrogen 2.851 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.763 N/A ILE 155.A N HIS 171.A O no hydrogen 3.001 N/A ARG 157.A N ILE 169.A O no hydrogen 2.811 N/A ARG 157.A NH1 PHE 117.A O no hydrogen 2.698 N/A ARG 157.A NH2 PHE 117.A O no hydrogen 3.422 N/A ARG 157.A NH2 HIS 171.A ND1 no hydrogen 2.980 N/A ASN 163.A N ASN 160.A O no hydrogen 2.927 N/A ALA 165.A N ASN 163.A OD1 no hydrogen 3.155 N/A LYS 166.A N ASN 163.A O no hydrogen 3.208 N/A LYS 166.A NZ GLU 159.A OE1 no hydrogen 2.752 N/A THR 167.A OG1 ASP 330.A OD2 no hydrogen 3.530 N/A ILE 168.A N LEU 307.A O no hydrogen 2.705 N/A ILE 169.A N ARG 157.A O no hydrogen 2.973 N/A VAL 170.A N ILE 305.A O no hydrogen 2.897 N/A HIS 171.A N ILE 155.A O no hydrogen 2.702 N/A HIS 171.A NE2 SER 148.A O no hydrogen 2.719 N/A LEU 172.A N THR 303.A O no hydrogen 3.115 N/A ASN 173.A ND2 GLU 152.A O no hydrogen 2.501 N/A VAL 176.A N ILE 302.A O no hydrogen 3.324 N/A ILE 178.A N SER 300.A O no hydrogen 2.928 N/A ASN 179.A N GLU 194.A O no hydrogen 2.752 N/A CYS 180.A N CYS 298.A O no hydrogen 2.982 N/A THR 181.A N TYR 192.A O no hydrogen 2.897 N/A THR 181.A OG1 ASN 297.A OD1 no hydrogen 2.947 N/A ARG 182.A N ILE 296.A O no hydrogen 2.675 N/A ARG 182.A NH1 ILE 188.A O no hydrogen 2.774 N/A ARG 182.A NH1 ILE 292.A O no hydrogen 3.533 N/A ARG 182.A NH2 ILE 292.A O no hydrogen 2.994 N/A ARG 182.A NH2 GLY 294.A O no hydrogen 2.459 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 3.290 N/A LYS 190.A N ASP 187.A O no hydrogen 3.225 N/A ALA 191.A N CYS 271.A O no hydrogen 2.910 N/A TYR 192.A N THR 181.A O no hydrogen 3.244 N/A CYS 193.A N LEU 269.A O no hydrogen 2.793 N/A GLU 194.A N ASN 179.A O no hydrogen 2.690 N/A ILE 195.A N ILE 267.A O no hydrogen 2.872 N/A GLY 197.A N GLY 265.A O no hydrogen 2.778 N/A THR 198.A N ASN 196.A OD1 no hydrogen 3.177 N/A LYS 199.A N ASN 196.A OD1 no hydrogen 3.391 N/A TRP 200.A N ASN 196.A O no hydrogen 2.850 N/A TRP 200.A NE1 LEU 251.A O no hydrogen 2.720 N/A ASN 201.A N GLY 197.A O no hydrogen 2.842 N/A ASN 201.A ND2 CYS 263.A O no hydrogen 2.860 N/A LYS 202.A N THR 198.A O no hydrogen 3.345 N/A VAL 203.A N LYS 199.A O no hydrogen 3.159 N/A LEU 204.A N TRP 200.A O no hydrogen 2.723 N/A LYS 205.A N ASN 201.A O no hydrogen 2.939 N/A GLN 206.A N LYS 202.A O no hydrogen 3.393 N/A VAL 207.A N VAL 203.A O no hydrogen 2.984 N/A THR 208.A N LEU 204.A O no hydrogen 3.177 N/A THR 208.A OG1 LYS 205.A O no hydrogen 2.555 N/A GLU 209.A N LYS 205.A O no hydrogen 3.093 N/A LYS 210.A N GLN 206.A O no hydrogen 3.128 N/A LYS 210.A NZ GLU 213.A OE2 no hydrogen 3.343 N/A LEU 211.A N VAL 207.A O no hydrogen 2.859 N/A LYS 212.A N THR 208.A O no hydrogen 2.726 N/A GLU 213.A N LYS 210.A O no hydrogen 3.188 N/A HIS 214.A N LEU 211.A O no hydrogen 3.172 N/A PHE 215.A N LYS 212.A O no hydrogen 3.204 N/A ASN 217.A N LYS 212.A O no hydrogen 3.057 N/A LYS 218.A N PHE 215.A O no hydrogen 3.004 N/A LYS 218.A NZ GLU 319.A OE1 no hydrogen 3.404 N/A ILE 221.A N GLU 319.A O no hydrogen 3.040 N/A PHE 222.A N ASN 254.A OD1 no hydrogen 2.825 N/A GLN 223.A N PHE 321.A O no hydrogen 3.028 N/A GLN 223.A NE2 PHE 222.A O no hydrogen 2.884 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.800 N/A ILE 232.A N ASP 229.A O no hydrogen 3.022 N/A THR 233.A N ASP 229.A O no hydrogen 3.147 N/A THR 233.A OG1 ASP 229.A O no hydrogen 3.477 N/A MET 234.A N LEU 230.A O no hydrogen 3.142 N/A HIS 235.A N CYS 246.A O no hydrogen 2.735 N/A HIS 235.A ND1 THR 141.A O no hydrogen 3.007 N/A SER 236.A N THR 141.A OG1 no hydrogen 3.147 N/A SER 236.A OG PHE 244.A O no hydrogen 3.094 N/A PHE 237.A N PHE 244.A O no hydrogen 3.275 N/A CYS 239.A N GLU 242.A O no hydrogen 2.761 N/A GLY 241.A N ASN 238.A OD1 no hydrogen 3.030 N/A GLU 242.A N CYS 239.A O no hydrogen 2.921 N/A PHE 244.A N PHE 237.A O no hydrogen 2.840 N/A TYR 245.A N LYS 272.A O no hydrogen 2.801 N/A TYR 245.A OH GLU 231.A OE2 no hydrogen 2.623 N/A CYS 246.A N HIS 235.A O no hydrogen 2.844 N/A ASN 247.A N PRO 270.A O no hydrogen 3.065 N/A THR 248.A OG1 GLN 142.A OE1 no hydrogen 2.651 N/A THR 249.A N ASN 247.A OD1 no hydrogen 3.061 N/A THR 249.A OG1 ASN 247.A OD1 no hydrogen 2.854 N/A GLN 250.A NE2 THR 268.A O no hydrogen 2.942 N/A LEU 251.A N THR 248.A O no hydrogen 2.858 N/A PHE 252.A N THR 249.A O no hydrogen 3.430 N/A ASN 254.A ND2 PHE 222.A O no hydrogen 3.124 N/A THR 255.A N ASN 253.A OD1 no hydrogen 3.177 N/A THR 255.A OG1 ASN 253.A OD1 no hydrogen 3.172 N/A CYS 256.A N ASN 253.A O no hydrogen 2.973 N/A ILE 257.A N ASN 254.A O no hydrogen 3.320 N/A GLY 258.A N THR 255.A O no hydrogen 3.163 N/A ILE 267.A N ILE 195.A O no hydrogen 2.715 N/A LEU 269.A N CYS 193.A O no hydrogen 2.772 N/A CYS 271.A N ALA 191.A O no hydrogen 2.794 N/A CYS 271.A SG LEU 269.A O no hydrogen 3.401 N/A LYS 272.A N TYR 245.A O no hydrogen 2.768 N/A LYS 272.A NZ ASP 187.A OD2 no hydrogen 3.352 N/A ILE 273.A N ARG 189.A O no hydrogen 2.965 N/A LYS 274.A N PHE 243.A O no hydrogen 3.291 N/A LYS 274.A NZ ILE 276.A O no hydrogen 2.671 N/A ILE 277.A N ALA 286.A O no hydrogen 3.097 N/A ASN 278.A N GLU 231.A OE2 no hydrogen 2.961 N/A ASN 278.A ND2 GLU 231.A OE1 no hydrogen 2.692 N/A ASN 278.A ND2 GLU 231.A OE2 no hydrogen 3.200 N/A MET 279.A N GLY 284.A O no hydrogen 2.604 N/A GLN 281.A N GLN 281.A OE1 no hydrogen 2.493 N/A GLY 282.A N MET 279.A O no hydrogen 3.101 N/A GLN 285.A N LEU 79.A O no hydrogen 3.231 N/A GLN 285.A NE2 ASN 278.A OD1 no hydrogen 3.280 N/A ALA 286.A N ILE 277.A O no hydrogen 3.027 N/A MET 287.A N VAL 77.A O no hydrogen 2.986 N/A TYR 288.A N GLN 275.A O no hydrogen 2.688 N/A ILE 296.A N ARG 182.A O no hydrogen 3.004 N/A CYS 298.A N CYS 180.A O no hydrogen 2.939 N/A CYS 298.A SG ASN 297.A O no hydrogen 3.725 N/A SER 300.A N ILE 178.A O no hydrogen 3.245 N/A ASN 301.A N ASN 146.A OD1 no hydrogen 3.326 N/A ILE 302.A N VAL 176.A O no hydrogen 2.926 N/A THR 303.A N LEU 144.A O no hydrogen 3.020 N/A ILE 305.A N VAL 170.A O no hydrogen 3.091 N/A LEU 306.A N GLN 142.A O no hydrogen 2.831 N/A LEU 307.A N ILE 168.A O no hydrogen 2.902 N/A THR 308.A N ARG 322.A O no hydrogen 2.676 N/A ARG 309.A NE LEU 161.A O no hydrogen 3.411 N/A ARG 309.A NH1 GLU 319.A OE2 no hydrogen 2.789 N/A ARG 309.A NH2 LEU 161.A O no hydrogen 3.075 N/A ASP 310.A N THR 320.A O no hydrogen 3.145 N/A SER 317.A OG ASN 315.A O no hydrogen 3.525 N/A GLU 319.A N THR 219.A O no hydrogen 2.831 N/A PHE 321.A N ILE 221.A O no hydrogen 2.855 N/A ARG 322.A N THR 308.A O no hydrogen 2.905 N/A ARG 322.A NE PRO 224.A O no hydrogen 2.711 N/A ARG 322.A NH1 ASP 310.A OD1 no hydrogen 3.389 N/A ARG 322.A NH2 PRO 224.A O no hydrogen 3.437 N/A GLY 324.A N LEU 306.A O no hydrogen 2.535 N/A ASP 330.A N ASN 327.A O no hydrogen 3.203 N/A ASN 331.A ND2 SER 140.A O no hydrogen 3.154 N/A TRP 332.A N ILE 328.A O no hydrogen 3.397 N/A TRP 332.A NE1 GLN 62.A OE1 no hydrogen 2.711 N/A ARG 333.A N LYS 329.A O no hydrogen 2.945 N/A SER 334.A N ASP 330.A O no hydrogen 3.108 N/A SER 334.A OG ASN 331.A O no hydrogen 2.353 N/A GLU 335.A N TRP 332.A O no hydrogen 2.995 N/A LEU 336.A N TRP 332.A O no hydrogen 2.744 N/A TYR 339.A OH HIS 133.A ND1 no hydrogen 2.746 N/A LYS 340.A N LEU 110.A O no hydrogen 3.288 N/A LYS 340.A NZ ASP 4.A OD1 no hydrogen 3.109 N/A LYS 340.A NZ GLU 48.A OE2 no hydrogen 2.992 N/A LYS 340.A NZ ASN 49.A O no hydrogen 2.586 N/A VAL 342.A N VAL 108.A O no hydrogen 3.139 N/A GLN 343.A N LYS 3.A O no hydrogen 2.669 N/A ILE 344.A N GLY 106.A O no hydrogen 3.362 N/A GLU 345.A N VAL 1.A O no hydrogen 3.392 N/A