Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 23.A OD1 no hydrogen 2.526 N/A SER 3.A N TYR 22.A O no hydrogen 3.090 N/A CYS 4.A SG SER 3.A O no hydrogen 3.351 N/A CYS 4.A SG TYR 20.A O no hydrogen 3.762 N/A ILE 5.A N TYR 20.A O no hydrogen 3.005 N/A ALA 6.A N PRO 72.A O no hydrogen 2.883 N/A VAL 7.A N HIS 18.A O no hydrogen 2.803 N/A ILE 8.A N TYR 74.A O no hydrogen 2.771 N/A ASP 9.A N ARG 16.A O no hydrogen 2.851 N/A ALA 10.A N TYR 76.A O no hydrogen 2.888 N/A GLY 11.A N GLY 14.A O no hydrogen 2.903 N/A SER 15.A N ILE 41.A O no hydrogen 2.972 N/A SER 15.A OG TYR 58.A OH no hydrogen 2.671 N/A ARG 16.A N ASP 9.A O no hydrogen 2.861 N/A ARG 16.A NH1 ASN 38.A OD1 no hydrogen 2.521 N/A LEU 17.A N LYS 39.A O no hydrogen 2.721 N/A HIS 18.A N VAL 7.A O no hydrogen 2.851 N/A ILE 19.A N TRP 37.A O no hydrogen 2.914 N/A TYR 20.A N ILE 5.A O no hydrogen 2.874 N/A TYR 20.A OH THR 345.A OG1 no hydrogen 2.670 N/A SER 21.A N GLU 34.A O no hydrogen 2.820 N/A TYR 22.A N SER 3.A O no hydrogen 2.941 N/A ASP 23.A N ILE 31.A O no hydrogen 2.935 N/A ASP 25.A N THR 29.A O no hydrogen 2.966 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.832 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.515 N/A THR 27.A OG1 ASP 25.A OD2 no hydrogen 3.238 N/A THR 27.A OG1 THR 29.A OG1 no hydrogen 2.844 N/A ASN 28.A N ASP 25.A O no hydrogen 3.090 N/A THR 29.A N ASP 25.A OD1 no hydrogen 3.174 N/A THR 29.A OG1 THR 27.A O no hydrogen 3.386 N/A THR 29.A OG1 THR 27.A OG1 no hydrogen 2.844 N/A ILE 31.A N ASP 23.A O no hydrogen 2.765 N/A HIS 32.A ND1 ASP 23.A OD2 no hydrogen 3.265 N/A ILE 33.A N TYR 129.A OH no hydrogen 2.946 N/A GLU 34.A N SER 21.A O no hydrogen 2.885 N/A ILE 36.A N ILE 19.A O no hydrogen 2.758 N/A ASN 38.A ND2 GLU 35.A OE2 no hydrogen 2.720 N/A LYS 39.A N LEU 17.A O no hydrogen 2.987 N/A ILE 41.A N SER 15.A O no hydrogen 2.930 N/A SER 47.A N GLY 44.A O no hydrogen 3.029 N/A SER 47.A OG GLY 44.A O no hydrogen 2.910 N/A ILE 48.A N PHE 45.A O no hydrogen 3.230 N/A ASN 51.A N GLN 49.A O no hydrogen 2.888 N/A SER 52.A OG GLU 95.A OE1 no hydrogen 2.609 N/A SER 52.A OG GLU 95.A OE2 no hydrogen 3.346 N/A THR 54.A N ASN 51.A OD1 no hydrogen 2.954 N/A THR 54.A OG1 ASN 51.A OD1 no hydrogen 2.678 N/A ILE 55.A N ASN 51.A O no hydrogen 2.985 N/A ASP 56.A N SER 52.A O no hydrogen 2.849 N/A ALA 57.A N VAL 53.A O no hydrogen 3.079 N/A TYR 58.A N THR 54.A O no hydrogen 2.985 N/A TYR 58.A OH SER 15.A OG no hydrogen 2.671 N/A TYR 58.A OH PRO 43.A O no hydrogen 2.723 N/A LEU 59.A N ILE 55.A O no hydrogen 2.848 N/A THR 60.A N ASP 56.A O no hydrogen 2.886 N/A THR 60.A OG1 ASP 56.A O no hydrogen 2.714 N/A THR 60.A OG1 ASP 56.A OD1 no hydrogen 3.147 N/A MET 61.A N ALA 57.A O no hydrogen 2.991 N/A LEU 62.A N TYR 58.A O no hydrogen 3.059 N/A LEU 63.A N LEU 59.A O no hydrogen 2.911 N/A ALA 64.A N THR 60.A O no hydrogen 2.921 N/A ALA 66.A N LEU 63.A O no hydrogen 3.174 N/A ASN 70.A N GLN 105.A O no hydrogen 2.703 N/A ILE 71.A N GLN 105.A O no hydrogen 3.388 N/A VAL 73.A N GLN 107.A O no hydrogen 2.882 N/A TYR 74.A N ALA 6.A O no hydrogen 2.981 N/A PHE 75.A N GLU 110.A O no hydrogen 2.866 N/A TYR 76.A N ILE 8.A O no hydrogen 2.911 N/A TYR 76.A OH GLU 110.A OE1 no hydrogen 2.782 N/A ALA 77.A N LYS 112.A O no hydrogen 2.930 N/A THR 78.A N ALA 10.A O no hydrogen 3.023 N/A ARG 82.A N THR 78.A O no hydrogen 3.183 N/A ARG 82.A NH1 ILE 114.A O no hydrogen 2.852 N/A ARG 82.A NH1 GLU 119.A OE1 no hydrogen 3.095 N/A ARG 82.A NH2 GLU 119.A OE1 no hydrogen 3.291 N/A LEU 83.A N ALA 79.A O no hydrogen 3.036 N/A LEU 84.A N MET 81.A O no hydrogen 3.144 N/A GLN 88.A N PRO 85.A O no hydrogen 3.018 N/A GLN 89.A N PRO 85.A O no hydrogen 3.009 N/A GLN 89.A NE2 LEU 84.A O no hydrogen 3.403 N/A LYS 90.A N GLN 86.A O no hydrogen 3.113 N/A LYS 90.A NZ ASP 94.A OD2 no hydrogen 2.900 N/A LYS 91.A N GLN 88.A O no hydrogen 3.170 N/A LYS 91.A NZ GLN 88.A OE1 no hydrogen 3.110 N/A TYR 92.A OH ILE 48.A O no hydrogen 2.648 N/A TYR 93.A N GLN 89.A O no hydrogen 3.113 N/A TYR 93.A OH THR 113.A OG1 no hydrogen 2.718 N/A ASP 94.A N LYS 90.A O no hydrogen 2.849 N/A GLU 95.A N LYS 91.A O no hydrogen 3.245 N/A LEU 96.A N TYR 92.A O no hydrogen 2.851 N/A GLU 97.A N TYR 93.A O no hydrogen 2.859 N/A TYR 98.A N ASP 94.A O no hydrogen 3.139 N/A TRP 99.A N GLU 95.A O no hydrogen 2.951 N/A TRP 99.A NE1 ASP 56.A OD1 no hydrogen 2.806 N/A PHE 100.A N LEU 96.A O no hydrogen 2.992 N/A ARG 101.A N GLU 97.A O no hydrogen 3.110 N/A GLN 102.A N TRP 99.A O no hydrogen 3.121 N/A GLN 103.A N PHE 100.A O no hydrogen 3.479 N/A GLN 103.A NE2 PHE 100.A O no hydrogen 2.747 N/A GLN 103.A NE2 TRP 106.A O no hydrogen 2.781 N/A GLN 105.A NE2 ALA 66.A O no hydrogen 3.550 N/A TRP 106.A N GLN 103.A OE1 no hydrogen 2.859 N/A GLN 107.A N ILE 71.A O no hydrogen 2.931 N/A VAL 109.A N VAL 73.A O no hydrogen 2.790 N/A LYS 112.A N PHE 75.A O no hydrogen 2.961 N/A THR 113.A OG1 GLN 89.A OE1 no hydrogen 2.685 N/A THR 113.A OG1 TYR 93.A OH no hydrogen 2.718 N/A ILE 114.A N ALA 77.A O no hydrogen 2.889 N/A THR 115.A N ASP 118.A OD2 no hydrogen 2.968 N/A ASP 118.A N THR 115.A OG1 no hydrogen 2.973 N/A GLU 119.A N THR 115.A O no hydrogen 2.973 N/A ALA 120.A N GLY 116.A O no hydrogen 2.826 N/A LEU 121.A N ASN 117.A O no hydrogen 3.032 N/A PHE 122.A N ASP 118.A O no hydrogen 3.088 N/A ASP 123.A N GLU 119.A O no hydrogen 2.818 N/A TRP 124.A N ALA 120.A O no hydrogen 2.960 N/A TRP 124.A NE1 VAL 142.A O no hydrogen 2.923 N/A LEU 125.A N LEU 121.A O no hydrogen 2.991 N/A ALA 126.A N PHE 122.A O no hydrogen 2.896 N/A VAL 127.A N ASP 123.A O no hydrogen 3.097 N/A ASN 128.A N TRP 124.A O no hydrogen 2.983 N/A ASN 128.A ND2 THR 133.A OG1 no hydrogen 2.633 N/A TYR 129.A N LEU 125.A O no hydrogen 2.852 N/A LYS 130.A N ALA 126.A O no hydrogen 3.095 N/A LEU 131.A N VAL 127.A O no hydrogen 2.915 N/A ASP 132.A N TYR 129.A O no hydrogen 3.185 N/A THR 133.A N ASN 128.A O no hydrogen 3.071 N/A THR 133.A OG1 ASN 128.A O no hydrogen 3.202 N/A SER 141.A N ASN 252.A OD1 no hydrogen 2.773 N/A SER 141.A OG PRO 250.A O no hydrogen 3.413 N/A GLY 143.A N GLU 253.A O no hydrogen 2.948 N/A VAL 144.A N VAL 155.A O no hydrogen 2.939 N/A MET 145.A N TYR 255.A O no hydrogen 2.902 N/A ASP 146.A N GLN 153.A O no hydrogen 2.904 N/A MET 147.A N ILE 257.A O no hydrogen 2.927 N/A VAL 152.A N PHE 186.A O no hydrogen 3.238 N/A GLN 153.A N ASP 146.A O no hydrogen 2.932 N/A GLN 153.A NE2 SER 151.A OG no hydrogen 2.751 N/A GLN 153.A NE2 SER 185.A OG no hydrogen 2.741 N/A ILE 154.A N HIS 184.A O no hydrogen 2.890 N/A VAL 155.A N VAL 144.A O no hydrogen 2.976 N/A PHE 156.A N TYR 182.A O no hydrogen 3.072 N/A MET 158.A N ASN 180.A O no hydrogen 2.966 N/A GLU 163.A N ASN 161.A OD1 no hydrogen 2.733 N/A ILE 164.A N ASN 161.A O no hydrogen 3.210 N/A HIS 167.A N SER 165.A OG no hydrogen 3.053 N/A ASN 168.A N SER 165.A O no hydrogen 3.140 N/A ASN 168.A ND2 ASN 117.A OD1 no hydrogen 3.400 N/A ASN 168.A ND2 VAL 183.A O no hydrogen 2.944 N/A GLN 169.A N LYS 166.A O no hydrogen 3.242 N/A VAL 170.A N LEU 181.A O no hydrogen 2.918 N/A LEU 172.A N ILE 179.A O no hydrogen 3.113 N/A ASN 173.A ND2 ASN 178.A OD1 no hydrogen 2.781 N/A ILE 174.A N GLN 177.A O no hydrogen 2.948 N/A TYR 175.A N THR 29.A OG1 no hydrogen 3.043 N/A TYR 175.A OH PRO 30.A O no hydrogen 2.666 N/A GLN 177.A N ILE 174.A O no hydrogen 2.942 N/A ILE 179.A N LEU 172.A O no hydrogen 2.799 N/A LEU 181.A N VAL 170.A O no hydrogen 2.950 N/A TYR 182.A N PHE 156.A O no hydrogen 2.779 N/A TYR 182.A OH HIS 184.A ND1 no hydrogen 2.671 N/A VAL 183.A N ASN 168.A O no hydrogen 2.839 N/A HIS 184.A N ILE 154.A O no hydrogen 2.976 N/A HIS 184.A ND1 TYR 182.A OH no hydrogen 2.671 N/A SER 185.A OG VAL 152.A O no hydrogen 3.353 N/A PHE 186.A N VAL 152.A O no hydrogen 2.867 N/A GLY 188.A N ALA 150.A O no hydrogen 2.828 N/A LEU 189.A N PHE 186.A O no hydrogen 3.285 N/A GLY 190.A N ALA 150.A O no hydrogen 3.039 N/A GLN 191.A N GLY 148.A O no hydrogen 2.883 N/A THR 192.A N GLY 149.A O no hydrogen 2.765 N/A GLU 193.A N GLY 149.A O no hydrogen 3.204 N/A MET 194.A N GLY 190.A O no hydrogen 2.869 N/A SER 195.A N GLN 191.A O no hydrogen 3.109 N/A SER 195.A OG THR 192.A O no hydrogen 2.709 N/A HIS 196.A N GLU 193.A O no hydrogen 3.237 N/A GLN 197.A N MET 194.A O no hydrogen 2.983 N/A PHE 198.A N SER 195.A O no hydrogen 2.971 N/A SER 201.A N PHE 198.A O no hydrogen 3.031 N/A SER 201.A OG GLU 227.A OE1 no hydrogen 3.033 N/A CYS 204.A N SER 201.A O no hydrogen 3.023 N/A PHE 205.A N PRO 202.A O no hydrogen 3.403 N/A ASP 208.A N GLY 217.A O no hydrogen 2.930 N/A TYR 209.A N ALA 206.A O no hydrogen 2.966 N/A LEU 211.A N GLU 215.A O no hydrogen 2.966 N/A GLY 214.A N LEU 211.A O no hydrogen 3.012 N/A GLU 215.A N ASP 213.A OD1 no hydrogen 2.967 N/A GLY 217.A N TYR 209.A O no hydrogen 2.743 N/A GLN 218.A N PRO 202.A O no hydrogen 2.848 N/A ASN 220.A N SER 203.A O no hydrogen 2.861 N/A ASN 220.A ND2 SER 223.A OG no hydrogen 2.893 N/A ALA 221.A N ASP 286.A OD1 no hydrogen 2.917 N/A CYS 224.A N ASN 220.A O no hydrogen 2.947 N/A LYS 225.A N ALA 221.A O no hydrogen 2.747 N/A GLU 226.A N PRO 222.A O no hydrogen 2.994 N/A GLU 227.A N SER 223.A O no hydrogen 3.096 N/A VAL 228.A N CYS 224.A O no hydrogen 2.939 N/A THR 229.A N LYS 225.A O no hydrogen 2.771 N/A THR 229.A OG1 LYS 225.A O no hydrogen 2.921 N/A THR 229.A OG1 ASP 323.A OD2 no hydrogen 2.690 N/A SER 230.A N GLU 226.A O no hydrogen 3.095 N/A SER 230.A OG GLU 226.A O no hydrogen 3.200 N/A LEU 231.A N GLU 227.A O no hydrogen 3.433 N/A MET 232.A N VAL 228.A O no hydrogen 2.992 N/A ASN 233.A N THR 229.A O no hydrogen 2.821 N/A ASN 233.A ND2 ASP 323.A O no hydrogen 3.168 N/A SER 234.A N SER 230.A O no hydrogen 2.863 N/A VAL 235.A N LEU 231.A O no hydrogen 3.183 N/A HIS 236.A N LEU 231.A O no hydrogen 3.280 N/A VAL 238.A N MET 232.A O no hydrogen 3.015 N/A ASN 239.A N ASN 233.A OD1 no hydrogen 2.973 N/A ASN 239.A ND2 ASP 323.A O no hydrogen 3.267 N/A ASN 239.A ND2 GLY 324.A O no hydrogen 3.267 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 2.697 N/A GLN 240.A NE2 ASN 233.A O no hydrogen 2.767 N/A GLN 241.A N LYS 237.A O no hydrogen 3.145 N/A GLN 241.A N VAL 238.A O no hydrogen 3.172 N/A GLN 241.A NE2 LYS 237.A O no hydrogen 3.135 N/A ILE 242.A N VAL 238.A O no hydrogen 2.852 N/A GLN 243.A N ASN 239.A O no hydrogen 2.999 N/A LEU 246.A N ILE 242.A O no hydrogen 3.057 N/A ALA 247.A N GLN 243.A O no hydrogen 2.913 N/A LEU 248.A N PRO 244.A O no hydrogen 3.314 N/A ASN 249.A N LEU 246.A O no hydrogen 3.136 N/A ASN 249.A ND2 LEU 245.A O no hydrogen 2.827 N/A ASN 252.A N SER 141.A O no hydrogen 2.792 N/A GLU 253.A N SER 141.A O no hydrogen 3.174 N/A TYR 255.A N GLY 143.A O no hydrogen 2.949 N/A TYR 255.A OH GLU 253.A OE1 no hydrogen 3.342 N/A SER 256.A N HIS 334.A O no hydrogen 2.702 N/A SER 256.A OG MET 145.A O no hydrogen 3.379 N/A SER 256.A OG ILE 257.A O no hydrogen 3.305 N/A ILE 257.A N MET 145.A O no hydrogen 2.911 N/A GLY 259.A N MET 147.A O no hydrogen 2.961 N/A LEU 263.A N GLY 259.A O no hydrogen 3.438 N/A ALA 264.A N ILE 260.A O no hydrogen 2.746 N/A SER 265.A N SER 261.A O no hydrogen 2.897 N/A SER 265.A OG SER 261.A O no hydrogen 2.659 N/A SER 266.A N LEU 263.A O no hydrogen 3.063 N/A LEU 268.A N SER 266.A OG no hydrogen 2.940 N/A PHE 269.A N SER 266.A O no hydrogen 3.233 N/A SER 274.A OG TYR 335.A O no hydrogen 2.782 N/A GLU 275.A N GLU 272.A O no hydrogen 3.246 N/A LEU 276.A N ILE 333.A O no hydrogen 2.925 N/A ASN 278.A ND2 TYR 317.A O no hydrogen 3.671 N/A GLN 279.A N PRO 329.A O no hydrogen 2.869 N/A SER 280.A N THR 277.A OG1 no hydrogen 3.183 N/A SER 280.A OG GLN 284.A OE1 no hydrogen 2.905 N/A LEU 281.A N THR 277.A O no hydrogen 2.952 N/A LEU 282.A N ASN 278.A O no hydrogen 2.987 N/A GLN 283.A N GLN 279.A O no hydrogen 3.080 N/A GLN 284.A N SER 280.A O no hydrogen 2.900 N/A GLY 285.A N LEU 281.A O no hydrogen 2.951 N/A ASP 286.A N LEU 282.A O no hydrogen 2.894 N/A ASN 287.A N GLN 283.A O no hydrogen 2.931 N/A GLN 288.A N GLN 284.A O no hydrogen 2.852 N/A ILE 289.A N GLY 285.A O no hydrogen 2.975 N/A CYS 290.A N GLY 285.A O no hydrogen 2.926 N/A CYS 290.A SG GLY 285.A O no hydrogen 3.556 N/A HIS 291.A N ASP 286.A O no hydrogen 3.033 N/A HIS 291.A NE2 ASN 220.A OD1 no hydrogen 2.836 N/A GLN 292.A N ILE 289.A O no hydrogen 3.097 N/A GLN 292.A NE2 GLN 293.A O no hydrogen 3.181 N/A TRP 294.A N ASN 207.A O no hydrogen 2.770 N/A LEU 297.A N GLN 293.A O no hydrogen 3.078 N/A ASN 298.A N TRP 294.A O no hydrogen 2.793 N/A GLY 299.A N ASP 295.A O no hydrogen 2.990 N/A GLN 300.A N ILE 296.A O no hydrogen 3.169 N/A GLN 300.A N LEU 297.A O no hydrogen 3.076 N/A TYR 301.A N LEU 297.A O no hydrogen 3.101 N/A TYR 301.A N ASN 298.A O no hydrogen 3.232 N/A ASP 304.A N TYR 301.A O no hydrogen 3.385 N/A TYR 306.A N ASP 304.A OD1 no hydrogen 2.923 N/A LEU 307.A N ASP 304.A O no hydrogen 3.429 N/A LEU 307.A N ASP 304.A OD1 no hydrogen 3.080 N/A GLN 309.A N TYR 306.A O no hydrogen 2.997 N/A TYR 310.A N LEU 307.A O no hydrogen 2.989 N/A CYS 311.A SG SER 203.A O no hydrogen 3.508 N/A LEU 313.A N GLN 309.A O no hydrogen 2.856 N/A SER 314.A N TYR 310.A O no hydrogen 3.050 N/A SER 314.A OG TYR 310.A O no hydrogen 2.871 N/A SER 314.A OG CYS 311.A O no hydrogen 3.133 N/A SER 315.A N CYS 311.A O no hydrogen 3.122 N/A SER 315.A OG ALA 221.A O no hydrogen 3.452 N/A SER 315.A OG CYS 311.A O no hydrogen 2.834 N/A TYR 316.A N LEU 312.A O no hydrogen 2.784 N/A TYR 316.A OH LEU 189.A O no hydrogen 2.657 N/A TYR 317.A N LEU 313.A O no hydrogen 2.831 N/A TYR 318.A N SER 314.A O no hydrogen 3.162 N/A ALA 319.A N SER 315.A O no hydrogen 2.843 N/A LEU 320.A N TYR 316.A O no hydrogen 2.860 N/A MET 321.A N TYR 317.A O no hydrogen 2.959 N/A VAL 322.A N TYR 318.A O no hydrogen 2.774 N/A GLY 324.A N ALA 319.A O no hydrogen 2.839 N/A TYR 325.A N LEU 320.A O no hydrogen 2.792 N/A ILE 327.A N MET 321.A O no hydrogen 2.951 N/A ASN 330.A N ASN 328.A OD1 no hydrogen 2.791 N/A ASN 330.A ND2 GLN 279.A OE1 no hydrogen 3.438 N/A GLN 331.A N ASN 328.A O no hydrogen 2.974 N/A GLN 331.A NE2 THR 332.A O no hydrogen 3.189 N/A ILE 333.A N LEU 276.A O no hydrogen 2.729 N/A HIS 334.A N TRP 254.A O no hydrogen 2.963 N/A HIS 334.A ND1 TRP 254.A O no hydrogen 3.217 N/A TYR 335.A N SER 274.A O no hydrogen 2.886 N/A ILE 336.A N SER 256.A O no hydrogen 2.987 N/A GLN 340.A N PRO 337.A O no hydrogen 2.988 N/A ASN 341.A N PRO 338.A O no hydrogen 3.432 N/A TRP 344.A NE1 ASP 9.A OD2 no hydrogen 3.182 N/A THR 345.A N ASP 343.A OD2 no hydrogen 2.912 N/A THR 345.A OG1 TYR 20.A OH no hydrogen 2.670 N/A THR 345.A OG1 ASP 343.A OD2 no hydrogen 2.583 N/A ILE 346.A N ASP 343.A O no hydrogen 3.151 N/A GLY 347.A N TRP 344.A O no hydrogen 2.876 N/A VAL 348.A N THR 345.A O no hydrogen 2.971 N/A VAL 349.A N THR 345.A O no hydrogen 3.395 N/A LEU 350.A N ILE 346.A O no hydrogen 3.061 N/A HIS 351.A N GLY 347.A O no hydrogen 2.988 N/A ARG 352.A N VAL 348.A O no hydrogen 2.836 N/A ARG 352.A NH1 GLU 110.A OE1 no hydrogen 3.175 N/A ARG 352.A NH1 GLU 110.A OE2 no hydrogen 3.350 N/A ARG 352.A NH2 GLU 110.A OE2 no hydrogen 3.005 N/A ALA 353.A N VAL 349.A O no hydrogen 3.018 N/A