Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ap1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N TYR 9.A O no hydrogen 3.492 N/A MET 3.A N TYR 7.A O no hydrogen 2.854 N/A TYR 7.A N MET 3.A O no hydrogen 3.396 N/A ARG 8.A NH1 GLU 6.A OE2 no hydrogen 3.332 N/A TYR 9.A N LEU 1.A O no hydrogen 2.824 N/A TYR 9.A OH GLU 88.A OE1 no hydrogen 3.210 N/A TYR 9.A OH GLU 88.A OE2 no hydrogen 2.642 N/A MET 13.A N GLY 10.A O no hydrogen 2.993 N/A LEU 15.A N MET 13.A O no hydrogen 2.917 N/A ILE 16.A N LEU 100.A O no hydrogen 2.924 N/A PHE 17.A N LYS 122.A O no hydrogen 2.782 N/A VAL 18.A N ASN 102.A O no hydrogen 2.835 N/A GLY 19.A N LEU 124.A O no hydrogen 3.069 N/A GLY 20.A N PRO 105.A O no hydrogen 2.923 N/A ARG 23.A NE SER 136.A OG no hydrogen 2.745 N/A SER 24.A OG VAL 21.A O no hydrogen 2.636 N/A SER 24.A OG SER 133.A OG no hydrogen 3.250 N/A MET 29.A N GLY 25.A O no hydrogen 2.961 N/A ARG 30.A N THR 26.A O no hydrogen 3.116 N/A ARG 30.A NH1 ASP 34.A OD2 no hydrogen 2.714 N/A ARG 30.A NH1 SER 223.A O no hydrogen 3.029 N/A ARG 30.A NH2 SER 223.A O no hydrogen 2.822 N/A ALA 31.A N THR 27.A O no hydrogen 2.909 N/A MET 32.A N LEU 28.A O no hydrogen 2.986 N/A LEU 33.A N MET 29.A O no hydrogen 3.129 N/A ASP 34.A N ARG 30.A O no hydrogen 2.753 N/A ALA 35.A N ALA 31.A O no hydrogen 3.025 N/A HIS 36.A N LEU 33.A O no hydrogen 2.993 N/A HIS 36.A NE2 ALA 204.A O no hydrogen 2.736 N/A GLU 38.A N HIS 36.A ND1 no hydrogen 3.154 N/A VAL 39.A N HIS 36.A O no hydrogen 3.249 N/A ARG 40.A N VAL 99.A O no hydrogen 3.013 N/A ARG 40.A NE GLU 95.A O no hydrogen 2.694 N/A ARG 40.A NH1 ILE 90.A O no hydrogen 2.762 N/A ARG 40.A NH1 GLU 95.A O no hydrogen 3.226 N/A ARG 40.A NH2 CYS 41.A O no hydrogen 3.215 N/A ARG 40.A NH2 ILE 90.A O no hydrogen 2.899 N/A CYS 41.A N ASP 34.A OD1 no hydrogen 2.719 N/A CYS 41.A SG ARG 30.A O no hydrogen 3.617 N/A GLY 42.A N ASP 34.A OD2 no hydrogen 2.831 N/A GLU 43.A N GLU 43.A OE2 no hydrogen 2.642 N/A GLU 44.A N GLU 228.A OE2 no hydrogen 2.857 N/A THR 45.A N ASP 104.A OD2 no hydrogen 3.144 N/A THR 45.A OG1 ASP 104.A OD2 no hydrogen 2.741 N/A ARG 46.A N ASP 104.A OD1 no hydrogen 2.837 N/A ILE 47.A N THR 45.A O no hydrogen 2.574 N/A ILE 48.A N THR 45.A OG1 no hydrogen 3.314 N/A ARG 50.A N ARG 46.A O no hydrogen 3.370 N/A VAL 51.A N ILE 47.A O no hydrogen 2.922 N/A LEU 52.A N ILE 48.A O no hydrogen 2.972 N/A ALA 53.A N PRO 49.A O no hydrogen 2.935 N/A MET 54.A N ARG 50.A O no hydrogen 3.013 N/A ARG 55.A N VAL 51.A O no hydrogen 2.933 N/A ARG 55.A NE TYR 113.A OH no hydrogen 2.907 N/A ARG 55.A NH1 ASP 75.A OD1 no hydrogen 3.032 N/A ARG 55.A NH1 ASP 79.A OD1 no hydrogen 3.056 N/A ARG 55.A NH2 ARG 55.A O no hydrogen 3.120 N/A ARG 55.A NH2 SER 59.A OG no hydrogen 2.616 N/A GLN 56.A N LEU 52.A O no hydrogen 2.983 N/A GLN 56.A NE2 GLN 56.A O no hydrogen 3.268 N/A ALA 57.A N ALA 53.A O no hydrogen 2.992 N/A TRP 58.A N MET 54.A O no hydrogen 3.118 N/A SER 59.A N ARG 55.A O no hydrogen 3.388 N/A LYS 60.A N GLN 56.A O no hydrogen 2.875 N/A SER 61.A N ALA 57.A O no hydrogen 3.282 N/A GLU 64.A N SER 61.A OG no hydrogen 3.120 N/A LYS 65.A N SER 61.A O no hydrogen 2.932 N/A LYS 65.A NZ ASP 69.A OD2 no hydrogen 2.695 N/A LEU 66.A N GLY 62.A O no hydrogen 3.048 N/A ARG 67.A N ARG 63.A O no hydrogen 2.906 N/A LEU 68.A N GLU 64.A O no hydrogen 2.836 N/A ASP 69.A N LYS 65.A O no hydrogen 2.785 N/A GLU 70.A N LEU 66.A O no hydrogen 2.965 N/A ALA 71.A N ARG 67.A O no hydrogen 3.051 N/A GLY 72.A N ASP 69.A O no hydrogen 2.979 N/A VAL 73.A N LEU 68.A O no hydrogen 2.777 N/A THR 74.A OG1 GLU 76.A OE1 no hydrogen 3.545 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.875 N/A VAL 77.A N THR 74.A OG1 no hydrogen 3.398 N/A LEU 78.A N THR 74.A O no hydrogen 2.954 N/A ASP 79.A N ASP 75.A O no hydrogen 2.822 N/A ALA 80.A N GLU 76.A O no hydrogen 3.146 N/A ALA 81.A N VAL 77.A O no hydrogen 2.937 N/A MET 82.A N LEU 78.A O no hydrogen 2.818 N/A GLN 83.A N ASP 79.A O no hydrogen 2.894 N/A GLN 83.A NE2 LEU 117.A O no hydrogen 2.673 N/A ALA 84.A N ALA 80.A O no hydrogen 3.129 N/A PHE 85.A N ALA 81.A O no hydrogen 2.897 N/A ILE 86.A N MET 82.A O no hydrogen 2.817 N/A LEU 87.A N GLN 83.A O no hydrogen 2.946 N/A GLU 88.A N ALA 84.A O no hydrogen 3.114 N/A VAL 89.A N PHE 85.A O no hydrogen 3.201 N/A ILE 90.A N ILE 86.A O no hydrogen 2.988 N/A ALA 91.A N LEU 87.A O no hydrogen 2.788 N/A LYS 92.A N GLU 88.A O no hydrogen 2.877 N/A LYS 92.A NZ.A TYR 9.A OH no hydrogen 3.179 N/A LYS 92.A NZ.A GLU 88.A OE1 no hydrogen 3.139 N/A LYS 92.A NZ.B TYR 9.A OH no hydrogen 3.164 N/A LYS 92.A NZ.B GLU 88.A OE1 no hydrogen 2.718 N/A HIS 93.A N VAL 89.A O no hydrogen 3.062 N/A ARG 98.A NE GLU 38.A OE1 no hydrogen 2.958 N/A ARG 98.A NH2 GLU 38.A OE1 no hydrogen 3.035 N/A VAL 99.A N GLU 38.A O no hydrogen 2.786 N/A CYS 101.A N ARG 40.A O no hydrogen 2.790 N/A CYS 101.A SG ILE 16.A O no hydrogen 3.564 N/A ASN 102.A N ILE 16.A O no hydrogen 2.716 N/A LYS 103.A NZ THR 26.A OG1 no hydrogen 3.032 N/A LYS 103.A NZ THR 27.A OG1 no hydrogen 2.870 N/A LYS 103.A NZ GLU 44.A OE2 no hydrogen 2.656 N/A THR 107.A N ASP 104.A O no hydrogen 2.958 N/A THR 107.A OG1 ASP 104.A O no hydrogen 2.560 N/A LEU 108.A N PRO 105.A O no hydrogen 3.491 N/A LYS 109.A N PHE 106.A O no hydrogen 3.004 N/A SER 110.A N THR 107.A O no hydrogen 2.736 N/A SER 111.A OG LEU 108.A O no hydrogen 3.513 N/A VAL 112.A N GLN 169.A OE1 no hydrogen 2.905 N/A TYR 113.A OH ASP 79.A OD1 no hydrogen 2.877 N/A LEU 114.A N SER 110.A O no hydrogen 2.916 N/A SER 115.A N SER 111.A O no hydrogen 2.856 N/A SER 115.A OG.B SER 111.A O no hydrogen 3.328 N/A SER 115.A OG.B VAL 112.A O no hydrogen 2.751 N/A ARG 116.A N VAL 112.A O no hydrogen 3.214 N/A LEU 117.A N TYR 113.A O no hydrogen 2.913 N/A PHE 118.A N LEU 114.A O no hydrogen 2.850 N/A SER 121.A N PHE 118.A O no hydrogen 2.858 N/A SER 121.A OG PHE 118.A O no hydrogen 2.776 N/A LYS 122.A N LEU 15.A O no hydrogen 2.924 N/A PHE 123.A N LYS 177.A O no hydrogen 2.785 N/A LEU 124.A N PHE 17.A O no hydrogen 2.879 N/A LEU 125.A N LEU 179.A O no hydrogen 3.003 N/A MET 126.A N GLY 19.A O no hydrogen 2.808 N/A VAL 127.A N VAL 181.A O no hydrogen 2.820 N/A ARG 128.A NH1 ARG 23.A O no hydrogen 2.954 N/A ARG 128.A NH2 ALA 242.A O no hydrogen 2.770 N/A ASP 129.A N GLU 184.A OE2 no hydrogen 2.955 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.990 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.834 N/A ARG 131.A NH1 ASP 271.A O no hydrogen 3.392 N/A ARG 131.A NH1 ALA 274.A O no hydrogen 2.885 N/A ARG 131.A NH2 ASP 129.A OD1 no hydrogen 3.542 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 2.798 N/A ARG 131.A NH2 ASP 271.A O no hydrogen 3.141 N/A SER 133.A N ASP 129.A O no hydrogen 3.155 N/A SER 133.A OG ARG 23.A O no hydrogen 3.114 N/A SER 133.A OG SER 24.A OG no hydrogen 3.250 N/A SER 133.A OG ASP 129.A O no hydrogen 3.534 N/A VAL 134.A N GLY 130.A O no hydrogen 2.830 N/A HIS 135.A N ARG 131.A O no hydrogen 2.957 N/A HIS 135.A ND1 TYR 152.A OH no hydrogen 2.982 N/A SER 136.A N ALA 132.A O no hydrogen 2.910 N/A MET 137.A N SER 133.A O no hydrogen 2.961 N/A ILE 138.A N VAL 134.A O no hydrogen 2.992 N/A THR 139.A N HIS 135.A O no hydrogen 2.925 N/A THR 139.A OG1 HIS 135.A O no hydrogen 2.879 N/A ARG 140.A N SER 136.A O no hydrogen 2.994 N/A LYS 141.A N ILE 138.A O no hydrogen 3.293 N/A VAL 142.A N MET 137.A O no hydrogen 2.968 N/A PHE 147.A N ILE 144.A O no hydrogen 2.900 N/A ASP 148.A N ASP 154.A OD2 no hydrogen 3.075 N/A SER 150.A N ASP 148.A OD1 no hydrogen 2.965 N/A SER 151.A N ASP 148.A O no hydrogen 2.971 N/A TYR 152.A OH HIS 135.A ND1 no hydrogen 2.982 N/A ARG 153.A NH1 ASP 257.A OD2 no hydrogen 3.124 N/A ARG 153.A NH2 ASP 253.A OD2 no hydrogen 2.808 N/A ARG 153.A NH2 ASP 257.A OD2 no hydrogen 2.910 N/A ASP 154.A N SER 151.A OG no hydrogen 3.015 N/A CYS 155.A N SER 151.A O no hydrogen 2.999 N/A CYS 155.A SG ASP 148.A O no hydrogen 3.239 N/A CYS 155.A SG SER 151.A O no hydrogen 3.499 N/A LEU 156.A N TYR 152.A O no hydrogen 2.878 N/A THR 157.A N ARG 153.A O no hydrogen 3.014 N/A THR 157.A OG1 ARG 153.A O no hydrogen 2.703 N/A LYS 158.A N ASP 154.A O no hydrogen 2.966 N/A LYS 158.A NZ GLY 146.A O no hydrogen 2.635 N/A LYS 158.A NZ ASP 154.A OD1 no hydrogen 3.139 N/A LYS 158.A NZ ASP 154.A OD2 no hydrogen 2.755 N/A TRP 159.A N CYS 155.A O no hydrogen 2.727 N/A ASN 160.A N LEU 156.A O no hydrogen 2.871 N/A LYS 161.A N THR 157.A O no hydrogen 3.143 N/A ALA 162.A N LYS 158.A O no hydrogen 2.957 N/A ILE 163.A N TRP 159.A O no hydrogen 2.892 N/A GLU 164.A N ASN 160.A O no hydrogen 2.914 N/A VAL 165.A N LYS 161.A O no hydrogen 3.141 N/A MET 166.A N ALA 162.A O no hydrogen 3.052 N/A TYR 167.A N ILE 163.A O no hydrogen 2.791 N/A ALA 168.A N GLU 164.A O no hydrogen 3.045 N/A GLN 169.A N VAL 165.A O no hydrogen 2.887 N/A CYS 170.A N MET 166.A O no hydrogen 2.858 N/A MET 171.A N TYR 167.A O no hydrogen 2.903 N/A GLU 172.A N ALA 168.A O no hydrogen 2.823 N/A VAL 173.A N GLN 169.A O no hydrogen 2.905 N/A GLY 174.A N CYS 170.A O no hydrogen 3.114 N/A LYS 177.A N GLY 174.A O no hydrogen 2.858 N/A CYS 178.A N GLY 174.A O no hydrogen 2.917 N/A CYS 178.A SG PHE 123.A O no hydrogen 3.934 N/A LEU 179.A N PHE 123.A O no hydrogen 2.888 N/A VAL 181.A N LEU 125.A O no hydrogen 2.907 N/A TYR 182.A OH LEU 268.A O no hydrogen 3.011 N/A TYR 183.A N VAL 127.A O no hydrogen 2.802 N/A LEU 186.A N TYR 182.A O no hydrogen 2.895 N/A VAL 187.A N TYR 183.A O no hydrogen 2.971 N/A LEU 188.A N GLU 184.A O no hydrogen 2.936 N/A HIS 189.A N GLN 185.A O no hydrogen 2.802 N/A HIS 189.A ND1 ASP 283.A OD1 no hydrogen 2.743 N/A SER 193.A N HIS 189.A O no hydrogen 2.990 N/A SER 193.A OG GLN 185.A O no hydrogen 3.116 N/A SER 193.A OG HIS 189.A O no hydrogen 2.770 N/A LEU 194.A N PRO 190.A O no hydrogen 2.895 N/A LYS 195.A N ARG 191.A O no hydrogen 2.915 N/A LEU 196.A N ARG 192.A O no hydrogen 3.048 N/A ILE 197.A N SER 193.A O no hydrogen 2.947 N/A LEU 198.A N LEU 194.A O no hydrogen 2.829 N/A ASP 199.A N LYS 195.A O no hydrogen 3.112 N/A PHE 200.A N LEU 196.A O no hydrogen 2.954 N/A LEU 201.A N ILE 197.A O no hydrogen 2.877 N/A GLY 202.A N ASP 199.A O no hydrogen 3.073 N/A ILE 203.A N LEU 198.A O no hydrogen 2.851 N/A ALA 208.A N SER 206.A OG no hydrogen 3.190 N/A LEU 210.A N ASP 207.A O no hydrogen 3.023 N/A HIS 211.A N ALA 208.A O no hydrogen 2.826 N/A GLU 213.A N GLU 213.A OE2 no hydrogen 2.728 N/A ASP 214.A N HIS 211.A O no hydrogen 2.962 N/A LEU 215.A N HIS 212.A O no hydrogen 2.915 N/A GLY 217.A N VAL 222.A O no hydrogen 2.862 N/A LYS 218.A N LEU 215.A O no hydrogen 3.341 N/A GLY 220.A N GLU 95.A OE2 no hydrogen 2.762 N/A GLY 221.A N LYS 218.A O no hydrogen 2.787 N/A VAL 222.A N LEU 215.A O no hydrogen 2.706 N/A SER 223.A OG GLU 43.A OE1 no hydrogen 2.527 N/A ILE 227.A N SER 225.A OG no hydrogen 3.269 N/A ARG 229.A NH1 ARG 140.A O no hydrogen 2.765 N/A ARG 229.A NH2 ARG 140.A O no hydrogen 3.512 N/A ARG 229.A NH2 LYS 141.A O no hydrogen 2.934 N/A THR 231.A N GLU 228.A O no hydrogen 3.449 N/A THR 231.A OG1 SER 225.A O no hydrogen 2.490 N/A THR 231.A OG1 GLU 228.A O no hydrogen 3.377 N/A GLN 233.A N SER 230.A O no hydrogen 2.995 N/A VAL 234.A N SER 230.A O no hydrogen 2.957 N/A ILE 235.A N THR 231.A O no hydrogen 3.169 N/A LYS 236.A N GLN 233.A O no hydrogen 3.278 N/A LEU 240.A N THR 290.A OG1 no hydrogen 3.039 N/A LEU 243.A N LEU 240.A O no hydrogen 3.382 N/A TRP 246.A NE1 TYR 279.A OH no hydrogen 3.127 N/A THR 247.A N SER 244.A O no hydrogen 3.245 N/A THR 247.A OG1 SER 244.A O no hydrogen 2.908 N/A HIS 249.A N TRP 246.A O no hydrogen 2.883 N/A VAL 254.A N PRO 251.A O no hydrogen 3.013 N/A VAL 255.A N PRO 251.A O no hydrogen 3.041 N/A ARG 256.A N GLY 252.A O no hydrogen 3.060 N/A ARG 256.A NE ASP 257.A OD1 no hydrogen 2.844 N/A ARG 256.A NH1 ASP 257.A OD1 no hydrogen 3.441 N/A ARG 256.A NH1 ASP 257.A OD2 no hydrogen 3.066 N/A ASP 257.A N ASP 253.A O no hydrogen 3.004 N/A MET 258.A N VAL 255.A O no hydrogen 3.365 N/A GLN 260.A N ASP 257.A O no hydrogen 2.931 N/A GLN 260.A NE2 ASP 257.A O no hydrogen 3.594 N/A ILE 261.A N ASP 257.A O no hydrogen 2.899 N/A ALA 262.A N MET 258.A O no hydrogen 2.856 N/A LEU 265.A N ALA 262.A O no hydrogen 3.007 N/A GLN 267.A N PRO 263.A O no hydrogen 3.314 N/A LEU 268.A N MET 264.A O no hydrogen 2.945 N/A LEU 268.A N LEU 265.A O no hydrogen 3.139 N/A GLY 269.A N ALA 266.A O no hydrogen 3.138 N/A TYR 270.A N LEU 265.A O no hydrogen 2.769 N/A TYR 270.A OH GLU 184.A OE1 no hydrogen 2.629 N/A TYR 273.A N ASP 271.A OD2 no hydrogen 3.009 N/A ALA 274.A N ASP 271.A O no hydrogen 3.218 N/A TYR 279.A OH ASP 129.A OD2 no hydrogen 2.639 N/A ASP 283.A N LEU 188.A O no hydrogen 2.965 N/A VAL 286.A N ASP 283.A O no hydrogen 3.011 N/A ILE 287.A N ASP 283.A O no hydrogen 3.146 N/A ASN 288.A N PRO 284.A O no hydrogen 2.815 N/A ASN 289.A N PHE 285.A O no hydrogen 3.041 N/A ASN 289.A ND2 VAL 238.A O no hydrogen 3.069 N/A THR 290.A N VAL 286.A O no hydrogen 2.894 N/A THR 290.A OG1 VAL 286.A O no hydrogen 2.800 N/A GLN 291.A N ILE 287.A O no hydrogen 2.958 N/A ARG 292.A N ASN 288.A O no hydrogen 2.955 N/A ARG 292.A NE TYR 298.A OH no hydrogen 3.188 N/A ARG 292.A NH1 ASN 289.A OD1 no hydrogen 3.132 N/A ARG 292.A NH2 ASN 289.A OD1 no hydrogen 3.368 N/A ARG 292.A NH2 TYR 298.A OH no hydrogen 2.797 N/A VAL 293.A N ASN 289.A O no hydrogen 3.025 N/A LEU 294.A N THR 290.A O no hydrogen 2.967 N/A LYS 295.A N GLN 291.A O no hydrogen 2.996 N/A GLY 296.A N VAL 293.A O no hydrogen 2.913 N/A ASP 297.A N ARG 292.A O no hydrogen 3.180 N/A