Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1px2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 29.A O no hydrogen 2.952 N/A VAL 4.A N ASP 70.A OD2 no hydrogen 2.636 N/A LEU 5.A N LYS 31.A O no hydrogen 2.829 N/A LEU 6.A N PHE 71.A O no hydrogen 2.955 N/A VAL 7.A N GLU 33.A O no hydrogen 2.883 N/A ILE 8.A N LEU 73.A O no hydrogen 2.830 N/A ASP 9.A N ALA 35.A O no hydrogen 3.087 N/A GLU 10.A N ASP 9.A OD1 no hydrogen 2.591 N/A TRP 15.A N GLN 34.A OE1 no hydrogen 3.272 N/A TRP 15.A NE1 ASP 9.A OD2 no hydrogen 3.004 N/A LYS 17.A N ASP 14.A O no hydrogen 2.995 N/A LYS 17.A N ASP 14.A OD2 no hydrogen 3.263 N/A TYR 18.A N ASP 14.A O no hydrogen 3.412 N/A TYR 18.A OH ASP 277.A OD1 no hydrogen 2.826 N/A PHE 19.A N TRP 15.A O no hydrogen 2.928 N/A LYS 20.A N LYS 17.A O no hydrogen 3.319 N/A LYS 22.A N PHE 19.A O no hydrogen 2.929 N/A ILE 24.A N ILE 28.A O no hydrogen 2.674 N/A GLU 27.A N ILE 24.A O no hydrogen 3.305 N/A ILE 28.A N ILE 24.A O no hydrogen 2.954 N/A LYS 31.A N ARG 3.A O no hydrogen 2.941 N/A LYS 31.A NZ GLU 33.A OE2 no hydrogen 3.229 N/A GLU 33.A N LEU 5.A O no hydrogen 2.972 N/A GLN 34.A NE2 GLU 10.A O no hydrogen 2.890 N/A GLN 34.A NE2 THR 13.A O no hydrogen 2.815 N/A ALA 35.A N VAL 7.A O no hydrogen 3.127 N/A PHE 37.A N GLN 76.A OE1 no hydrogen 2.909 N/A ASP 39.A N GLU 36.A O no hydrogen 2.817 N/A LEU 40.A N PHE 37.A O no hydrogen 2.979 N/A ASN 41.A N ASP 53.A O no hydrogen 3.085 N/A LEU 42.A N ASN 41.A OD1 no hydrogen 2.786 N/A VAL 43.A N SER 51.A O no hydrogen 3.097 N/A HIS 45.A N GLY 49.A O no hydrogen 2.792 N/A GLY 48.A N HIS 45.A O no hydrogen 3.059 N/A GLY 49.A N ASN 47.A OD1 no hydrogen 2.706 N/A SER 51.A N VAL 43.A O no hydrogen 3.058 N/A SER 51.A OG ASP 53.A OD1 no hydrogen 2.799 N/A SER 51.A OG SER 66.A OG no hydrogen 2.713 N/A VAL 52.A N LEU 67.A O no hydrogen 2.736 N/A ASP 53.A N ASN 41.A O no hydrogen 2.804 N/A MET 54.A N ARG 65.A O no hydrogen 2.841 N/A GLU 55.A N ASP 39.A O no hydrogen 2.885 N/A VAL 56.A N VAL 63.A O no hydrogen 2.873 N/A ARG 58.A N VAL 61.A O no hydrogen 2.848 N/A ARG 58.A NH1 LEU 57.A O no hydrogen 3.402 N/A VAL 61.A N ARG 58.A O no hydrogen 2.597 N/A VAL 63.A N VAL 56.A O no hydrogen 2.996 N/A ARG 65.A N MET 54.A O no hydrogen 2.893 N/A ARG 65.A NH1 GLU 33.A OE1 no hydrogen 2.968 N/A ARG 65.A NH2 GLU 33.A OE2 no hydrogen 3.177 N/A SER 66.A OG SER 51.A OG no hydrogen 2.713 N/A LEU 67.A N VAL 52.A O no hydrogen 2.788 N/A LYS 68.A NZ PHE 50.A O no hydrogen 2.782 N/A ASP 70.A N VAL 4.A O no hydrogen 2.707 N/A PHE 71.A N VAL 4.A O no hydrogen 3.233 N/A VAL 72.A N PRO 100.A O no hydrogen 3.025 N/A LEU 73.A N LEU 6.A O no hydrogen 2.848 N/A ILE 74.A N VAL 102.A O no hydrogen 2.949 N/A ARG 75.A N ILE 8.A O no hydrogen 2.882 N/A ARG 75.A NH1 SER 267.A O no hydrogen 2.859 N/A ARG 75.A NH1 MET 269.A O no hydrogen 2.895 N/A ARG 75.A NH2 MET 269.A O no hydrogen 3.037 N/A GLN 76.A NE2 GLU 36.A OE1 no hydrogen 2.844 N/A MET 81.A N HIS 161.A O no hydrogen 2.971 N/A ALA 82.A N SER 80.A OG no hydrogen 3.393 N/A GLY 85.A N ALA 82.A O no hydrogen 3.091 N/A TYR 87.A N ALA 78.A O no hydrogen 2.958 N/A ARG 88.A N ASP 86.A OD1 no hydrogen 2.992 N/A LEU 90.A N TYR 87.A O no hydrogen 2.991 N/A VAL 91.A N TYR 87.A O no hydrogen 3.283 N/A ILE 92.A N ARG 88.A O no hydrogen 2.923 N/A GLY 93.A N SER 89.A O no hydrogen 2.863 N/A LEU 94.A N LEU 90.A O no hydrogen 2.887 N/A GLN 95.A N VAL 91.A O no hydrogen 3.194 N/A TYR 96.A N ILE 92.A O no hydrogen 2.876 N/A ALA 97.A N GLY 93.A O no hydrogen 2.944 N/A GLY 98.A N GLN 95.A O no hydrogen 2.879 N/A ILE 99.A N LEU 94.A O no hydrogen 3.181 N/A SER 101.A OG VAL 72.A O no hydrogen 3.275 N/A SER 101.A OG ASN 103.A O no hydrogen 2.652 N/A VAL 102.A N VAL 72.A O no hydrogen 3.018 N/A ASN 103.A N SER 267.A OG no hydrogen 3.288 N/A ASN 103.A ND2 ILE 246.A O no hydrogen 2.791 N/A SER 104.A OG SER 107.A OG no hydrogen 2.920 N/A SER 107.A N SER 104.A OG no hydrogen 2.965 N/A SER 107.A OG SER 104.A O no hydrogen 2.861 N/A SER 107.A OG SER 104.A OG no hydrogen 2.920 N/A VAL 108.A N SER 104.A O no hydrogen 2.911 N/A TYR 109.A N LEU 105.A O no hydrogen 2.903 N/A ASN 110.A N HIS 106.A O no hydrogen 3.089 N/A ASN 110.A ND2 HIS 106.A O no hydrogen 2.859 N/A PHE 111.A N VAL 108.A O no hydrogen 3.176 N/A CYS 112.A N TYR 109.A O no hydrogen 3.113 N/A CYS 112.A SG VAL 108.A O no hydrogen 3.455 N/A LYS 114.A N HIS 161.A ND1 no hydrogen 2.945 N/A LYS 114.A NZ ALA 162.A O no hydrogen 3.108 N/A TRP 116.A N ASP 113.A O no hydrogen 2.899 N/A TRP 116.A NE1 ASN 110.A OD1 no hydrogen 3.015 N/A VAL 117.A N ASP 113.A O no hydrogen 3.190 N/A PHE 118.A N LYS 114.A O no hydrogen 2.824 N/A ALA 119.A N PRO 115.A O no hydrogen 2.779 N/A GLN 120.A N VAL 117.A O no hydrogen 2.998 N/A MET 121.A N VAL 117.A O no hydrogen 3.377 N/A VAL 122.A N PHE 118.A O no hydrogen 2.800 N/A ARG 123.A N ALA 119.A O no hydrogen 3.130 N/A ARG 123.A NE GLN 120.A OE1 no hydrogen 3.175 N/A ARG 123.A NH2 GLN 120.A OE1 no hydrogen 3.231 N/A LEU 124.A N GLN 120.A O no hydrogen 3.016 N/A HIS 125.A N MET 121.A O no hydrogen 2.906 N/A HIS 125.A NE2 THR 130.A OG1 no hydrogen 2.986 N/A LYS 126.A N VAL 122.A O no hydrogen 3.026 N/A LYS 127.A N ARG 123.A O no hydrogen 3.132 N/A LEU 128.A N LEU 124.A O no hydrogen 2.866 N/A GLY 129.A N HIS 125.A O no hydrogen 2.809 N/A THR 130.A OG1 HIS 125.A NE2 no hydrogen 2.986 N/A PHE 133.A N GLY 129.A O no hydrogen 2.904 N/A LEU 135.A N PHE 133.A O no hydrogen 2.909 N/A ILE 136.A N ILE 261.A O no hydrogen 2.961 N/A GLN 138.A NE2 GLU 194.A OE1 no hydrogen 2.800 N/A THR 139.A N ALA 193.A O no hydrogen 2.844 N/A TYR 141.A N ALA 191.A O no hydrogen 2.938 N/A LYS 145.A N ASN 143.A OD1 no hydrogen 3.033 N/A GLU 146.A N ASN 143.A O no hydrogen 3.469 N/A MET 147.A N HIS 144.A O no hydrogen 3.057 N/A SER 150.A OG THR 152.A O no hydrogen 2.894 N/A TYR 153.A OH GLN 174.A OE1 no hydrogen 2.858 N/A VAL 155.A N VAL 171.A O no hydrogen 2.781 N/A VAL 156.A N GLU 194.A O no hydrogen 2.761 N/A VAL 157.A N VAL 169.A O no hydrogen 2.769 N/A LYS 158.A N THR 192.A O no hydrogen 2.934 N/A LYS 158.A NZ GLU 194.A OE1 no hydrogen 3.517 N/A LYS 158.A NZ GLU 194.A OE2 no hydrogen 3.008 N/A MET 159.A N GLY 167.A O no hydrogen 2.828 N/A GLY 160.A N TYR 190.A O no hydrogen 2.785 N/A HIS 163.A NE2 PHE 79.A O no hydrogen 2.727 N/A MET 166.A N HIS 163.A O no hydrogen 3.124 N/A LYS 168.A N GLY 165.A O no hydrogen 3.361 N/A LYS 168.A NZ ALA 162.A O no hydrogen 3.125 N/A LYS 168.A NZ MET 166.A O no hydrogen 3.233 N/A VAL 169.A N VAL 157.A O no hydrogen 2.905 N/A LYS 170.A NZ ASP 172.A OD1 no hydrogen 2.531 N/A VAL 171.A N VAL 155.A O no hydrogen 2.703 N/A GLN 174.A NE2 LEU 148.A O no hydrogen 2.746 N/A GLN 174.A NE2 GLN 178.A OE1 no hydrogen 2.809 N/A ASP 176.A N ASN 173.A OD1 no hydrogen 3.022 N/A PHE 177.A N ASN 173.A O no hydrogen 2.994 N/A GLN 178.A N GLN 174.A O no hydrogen 3.137 N/A ASP 179.A N HIS 175.A O no hydrogen 3.135 N/A ILE 180.A N ASP 176.A O no hydrogen 2.819 N/A ALA 181.A N PHE 177.A O no hydrogen 2.970 N/A SER 182.A N GLN 178.A O no hydrogen 3.065 N/A SER 182.A OG ASP 179.A O no hydrogen 2.574 N/A VAL 183.A N ILE 180.A O no hydrogen 3.137 N/A VAL 184.A N ILE 180.A O no hydrogen 2.961 N/A ALA 185.A N ALA 181.A O no hydrogen 3.194 N/A LEU 186.A N VAL 183.A O no hydrogen 2.803 N/A THR 187.A N VAL 184.A O no hydrogen 2.912 N/A THR 187.A OG1 VAL 184.A O no hydrogen 2.459 N/A LYS 188.A N VAL 184.A O no hydrogen 3.234 N/A LYS 188.A N ALA 185.A O no hydrogen 3.352 N/A THR 189.A N THR 187.A OG1 no hydrogen 3.356 N/A TYR 190.A N THR 189.A OG1 no hydrogen 2.739 N/A TYR 190.A OH ASP 113.A OD1 no hydrogen 2.616 N/A ALA 191.A N TYR 141.A O no hydrogen 3.129 N/A THR 192.A N LYS 158.A O no hydrogen 2.975 N/A ALA 193.A N THR 139.A O no hydrogen 2.993 N/A GLU 194.A N VAL 156.A O no hydrogen 3.090 N/A PHE 196.A N PRO 154.A O no hydrogen 3.006 N/A LYS 200.A N HIS 253.A O no hydrogen 2.785 N/A ASP 202.A N ARG 217.A O no hydrogen 2.860 N/A VAL 203.A N ALA 251.A O no hydrogen 2.752 N/A ARG 204.A N TYR 215.A O no hydrogen 3.072 N/A ARG 204.A NH1 PRO 270.A O no hydrogen 2.899 N/A ARG 204.A NH2 GLN 206.A OE1 no hydrogen 2.954 N/A ARG 204.A NH2 PRO 270.A O no hydrogen 3.166 N/A VAL 205.A N VAL 249.A O no hydrogen 2.927 N/A GLN 206.A N LYS 213.A O no hydrogen 2.958 N/A GLN 206.A NE2 ASP 279.A OD2 no hydrogen 3.122 N/A LYS 207.A N CYS 247.A O no hydrogen 2.885 N/A LYS 207.A NZ ASP 235.A OD1 no hydrogen 2.817 N/A LYS 207.A NZ SER 238.A OG no hydrogen 3.305 N/A ILE 208.A N ASN 211.A O no hydrogen 2.906 N/A GLY 209.A N ASP 245.A O no hydrogen 3.080 N/A ASN 211.A N ILE 208.A O no hydrogen 3.001 N/A TYR 212.A OH ASP 235.A OD1 no hydrogen 2.691 N/A TYR 212.A OH ASP 235.A OD2 no hydrogen 3.370 N/A LYS 213.A N GLN 206.A O no hydrogen 3.209 N/A LYS 213.A NZ ASN 211.A OD1 no hydrogen 2.985 N/A LYS 213.A NZ GLU 278.A OE2 no hydrogen 3.298 N/A LYS 213.A NZ ASP 279.A OD1 no hydrogen 2.957 N/A TYR 215.A N ARG 204.A O no hydrogen 3.125 N/A MET 216.A N GLU 222.A O no hydrogen 2.758 N/A ARG 217.A N ASP 202.A O no hydrogen 2.876 N/A LYS 220.A NZ GLY 165.A O no hydrogen 2.733 N/A LYS 220.A NZ LYS 168.A O no hydrogen 2.969 N/A GLU 222.A N MET 216.A O no hydrogen 2.807 N/A ILE 224.A N ALA 214.A O no hydrogen 2.971 N/A ARG 229.A NH1 GLU 131.A O no hydrogen 2.837 N/A ARG 229.A NH2 ASP 259.A OD2 no hydrogen 2.645 N/A TYR 230.A N SER 227.A OG no hydrogen 2.982 N/A LYS 231.A N SER 227.A O no hydrogen 2.992 N/A LYS 231.A NZ ASP 235.A OD2 no hydrogen 2.690 N/A LEU 232.A N ASP 228.A O no hydrogen 3.114 N/A TRP 233.A N ARG 229.A O no hydrogen 3.257 N/A VAL 234.A N TYR 230.A O no hydrogen 3.284 N/A ASP 235.A N LYS 231.A O no hydrogen 2.904 N/A THR 236.A N LEU 232.A O no hydrogen 3.026 N/A THR 236.A OG1 LEU 232.A O no hydrogen 2.599 N/A THR 236.A OG1 TRP 233.A O no hydrogen 2.495 N/A CYS 237.A N TRP 233.A O no hydrogen 3.114 N/A CYS 237.A SG TRP 233.A O no hydrogen 3.465 N/A SER 238.A N VAL 234.A O no hydrogen 2.931 N/A SER 238.A OG ASP 235.A O no hydrogen 2.813 N/A GLU 239.A N THR 236.A O no hydrogen 3.143 N/A ILE 240.A N CYS 237.A O no hydrogen 3.277 N/A GLY 243.A N ILE 240.A O no hydrogen 3.017 N/A LEU 244.A N SER 238.A O no hydrogen 2.642 N/A ILE 246.A N ASN 103.A OD1 no hydrogen 2.803 N/A CYS 247.A N LYS 207.A O no hydrogen 3.194 N/A ALA 248.A N VAL 265.A O no hydrogen 3.069 N/A VAL 249.A N VAL 205.A O no hydrogen 2.864 N/A GLU 250.A N GLU 263.A O no hydrogen 2.817 N/A ALA 251.A N VAL 203.A O no hydrogen 2.793 N/A LEU 252.A N HIS 260.A O no hydrogen 2.782 N/A HIS 253.A N TYR 201.A O no hydrogen 2.879 N/A HIS 253.A ND1 ASP 259.A OD1 no hydrogen 2.598 N/A GLY 254.A N ARG 258.A O no hydrogen 2.719 N/A LYS 255.A N ASP 198.A O no hydrogen 3.284 N/A GLY 257.A N GLY 254.A O no hydrogen 3.254 N/A ARG 258.A N ASP 256.A OD1 no hydrogen 3.053 N/A ARG 258.A NE ASP 256.A OD2 no hydrogen 2.862 N/A ARG 258.A NH2 ASP 256.A OD2 no hydrogen 3.294 N/A HIS 260.A N LEU 252.A O no hydrogen 2.830 N/A ILE 261.A N PRO 134.A O no hydrogen 2.846 N/A ILE 262.A N GLU 250.A O no hydrogen 2.898 N/A VAL 265.A N ALA 248.A O no hydrogen 2.855 N/A SER 267.A OG ILE 74.A O no hydrogen 2.758 N/A MET 269.A N GLY 266.A O no hydrogen 2.990 N/A GLN 276.A NE2 GLY 273.A O no hydrogen 3.061 N/A ASP 279.A N HIS 275.A O no hydrogen 2.858 N/A LYS 280.A N GLN 276.A O no hydrogen 2.985 N/A GLN 281.A N ASP 277.A O no hydrogen 3.226 N/A GLN 281.A NE2 ASP 277.A O no hydrogen 3.619 N/A GLN 281.A NE2 ASP 277.A OD2 no hydrogen 2.926 N/A LEU 282.A N GLU 278.A O no hydrogen 2.892 N/A ILE 283.A N ASP 279.A O no hydrogen 2.892 N/A VAL 284.A N LYS 280.A O no hydrogen 2.949 N/A GLU 285.A N GLN 281.A O no hydrogen 2.970 N/A LEU 286.A N LEU 282.A O no hydrogen 2.991 N/A VAL 287.A N ILE 283.A O no hydrogen 2.869 N/A VAL 288.A N VAL 284.A O no hydrogen 2.907 N/A ASN 289.A N GLU 285.A O no hydrogen 3.066 N/A LYS 290.A N LEU 286.A O no hydrogen 3.006 N/A LYS 290.A NZ ASP 245.A OD1 no hydrogen 3.120 N/A MET 291.A N VAL 287.A O no hydrogen 2.707 N/A THR 292.A N VAL 288.A O no hydrogen 2.844 N/A THR 292.A OG1 VAL 288.A O no hydrogen 2.889 N/A GLN 293.A N LYS 290.A O no hydrogen 3.210 N/A ALA 294.A N THR 292.A O no hydrogen 3.157 N/A