Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 272.A OD1 no hydrogen 3.061 N/A GLY 2.A N GLY 270.A O no hydrogen 3.134 N/A ALA 4.A N THR 273.A O no hydrogen 3.083 N/A PHE 5.A N PHE 89.A O no hydrogen 3.100 N/A THR 6.A N PHE 275.A O no hydrogen 2.753 N/A THR 6.A OG1 PHE 275.A O no hydrogen 2.872 N/A PHE 7.A N ALA 91.A O no hydrogen 2.942 N/A GLN 10.A NE2 THR 56.A O no hydrogen 3.026 N/A GLY 11.A N GLN 13.A OE1 no hydrogen 2.789 N/A SER 12.A N GLY 9.A O no hydrogen 3.080 N/A SER 12.A OG GLY 9.A O no hydrogen 3.449 N/A GLN 13.A N GLN 13.A OE1 no hydrogen 2.819 N/A GLN 13.A NE2 THR 56.A OG1 no hydrogen 2.968 N/A GLY 16.A N ILE 47.A O no hydrogen 2.847 N/A MET 17.A N LEU 14.A O no hydrogen 3.071 N/A LYS 19.A N GLY 16.A O no hydrogen 3.074 N/A THR 22.A N GLY 18.A O no hydrogen 3.027 N/A THR 22.A OG1 LYS 19.A O no hydrogen 2.659 N/A GLU 23.A N LYS 19.A O no hydrogen 3.120 N/A GLN 24.A N VAL 20.A O no hydrogen 3.086 N/A GLN 24.A N LEU 21.A O no hydrogen 3.176 N/A PHE 25.A N LEU 21.A O no hydrogen 2.948 N/A ALA 28.A N PHE 25.A O no hydrogen 3.093 N/A ARG 29.A N PHE 25.A O no hydrogen 3.052 N/A ARG 29.A NE THR 22.A O no hydrogen 2.985 N/A ARG 29.A NH2 THR 22.A O no hydrogen 2.837 N/A ARG 29.A NH2 GLU 23.A O no hydrogen 3.559 N/A MET 30.A N VAL 26.A O no hydrogen 2.890 N/A PHE 32.A N ALA 28.A O no hydrogen 3.424 N/A GLU 33.A N ARG 29.A O no hydrogen 3.027 N/A GLU 34.A N MET 30.A O no hydrogen 2.956 N/A VAL 35.A N VAL 31.A O no hydrogen 2.908 N/A ASP 36.A N PHE 32.A O no hydrogen 3.009 N/A ASP 37.A N GLU 33.A O no hydrogen 3.038 N/A ALA 38.A N GLU 34.A O no hydrogen 2.797 N/A LEU 39.A N VAL 35.A O no hydrogen 3.052 N/A SER 40.A N ASP 37.A O no hydrogen 3.067 N/A GLU 41.A N ASP 36.A O no hydrogen 3.058 N/A SER 44.A N ASP 36.A OD1 no hydrogen 2.872 N/A SER 44.A OG ASP 36.A OD2 no hydrogen 2.602 N/A ASP 45.A N LYS 42.A O no hydrogen 3.093 N/A ILE 47.A N LEU 43.A O no hydrogen 2.992 N/A PHE 48.A N SER 44.A O no hydrogen 2.879 N/A GLU 49.A N ASP 45.A O no hydrogen 2.972 N/A GLY 50.A N ILE 46.A O no hydrogen 2.818 N/A LEU 55.A N PRO 51.A O no hydrogen 3.016 N/A THR 56.A N ALA 52.A O no hydrogen 2.896 N/A THR 56.A OG1 ALA 52.A O no hydrogen 2.941 N/A LEU 57.A N ASP 53.A O no hydrogen 3.315 N/A LEU 57.A N VAL 54.A O no hydrogen 3.270 N/A THR 58.A OG1 GLN 10.A OE1 no hydrogen 3.104 N/A ASN 60.A N LEU 57.A O no hydrogen 2.812 N/A ASN 60.A ND2 VAL 54.A O no hydrogen 2.914 N/A ALA 61.A N LEU 57.A O no hydrogen 2.834 N/A GLN 62.A N THR 58.A O no hydrogen 3.048 N/A GLN 62.A NE2 THR 58.A OG1 no hydrogen 2.798 N/A ALA 64.A N ASN 60.A O no hydrogen 2.940 N/A LEU 65.A N ALA 61.A O no hydrogen 2.893 N/A MET 66.A N GLN 62.A O no hydrogen 3.242 N/A ALA 67.A N PRO 63.A O no hydrogen 2.932 N/A VAL 68.A N ALA 64.A O no hydrogen 3.117 N/A SER 69.A N LEU 65.A O no hydrogen 3.064 N/A SER 69.A OG LEU 65.A O no hydrogen 3.534 N/A SER 69.A OG ILE 277.A O no hydrogen 2.686 N/A MET 70.A N MET 66.A O no hydrogen 2.793 N/A ALA 71.A N ALA 67.A O no hydrogen 2.819 N/A VAL 72.A N VAL 68.A O no hydrogen 3.135 N/A ILE 73.A N SER 69.A O no hydrogen 2.975 N/A ARG 74.A N MET 70.A O no hydrogen 2.857 N/A VAL 75.A N ALA 71.A O no hydrogen 3.003 N/A MET 76.A N VAL 72.A O no hydrogen 2.940 N/A GLU 77.A N ILE 73.A O no hydrogen 2.834 N/A GLN 78.A N ARG 74.A O no hydrogen 2.959 N/A LEU 79.A N VAL 75.A O no hydrogen 3.070 N/A GLY 80.A N GLU 77.A O no hydrogen 3.032 N/A LEU 81.A N MET 76.A O no hydrogen 2.943 N/A LYS 85.A N ASN 82.A O no hydrogen 3.176 N/A LYS 85.A N ASN 82.A OD1 no hydrogen 3.013 N/A LYS 86.A N ASN 82.A O no hydrogen 2.992 N/A LYS 86.A N VAL 83.A O no hydrogen 3.141 N/A LYS 86.A NZ LEU 312.A O no hydrogen 3.095 N/A LYS 86.A NZ GLY 313.A O no hydrogen 3.218 N/A VAL 87.A N VAL 83.A O no hydrogen 2.878 N/A LYS 88.A N ALA 3.A O no hydrogen 2.872 N/A LYS 88.A NZ ASN 269.A O no hydrogen 2.858 N/A VAL 90.A N PRO 229.A O no hydrogen 2.986 N/A ALA 91.A N PHE 5.A O no hydrogen 3.056 N/A HIS 93.A N PHE 7.A O no hydrogen 2.890 N/A HIS 93.A NE2 ASN 164.A OD1 no hydrogen 2.847 N/A SER 94.A N ASN 233.A OD1 no hydrogen 3.006 N/A SER 94.A OG HIS 203.A NE2 no hydrogen 2.936 N/A GLY 96.A N HIS 93.A O no hydrogen 3.045 N/A GLU 97.A N SER 94.A O no hydrogen 3.046 N/A TYR 98.A N LEU 95.A O no hydrogen 2.970 N/A ALA 100.A N GLY 96.A O no hydrogen 2.912 N/A LEU 101.A N GLU 97.A O no hydrogen 2.924 N/A CYS 102.A N TYR 98.A O no hydrogen 2.896 N/A CYS 102.A SG PHE 107.A O no hydrogen 3.710 N/A ALA 103.A N SER 99.A O no hydrogen 2.936 N/A ALA 104.A N ALA 100.A O no hydrogen 2.928 N/A GLY 105.A N CYS 102.A O no hydrogen 2.982 N/A THR 106.A N LEU 101.A O no hydrogen 2.855 N/A THR 106.A OG1 THR 224.A O no hydrogen 2.825 N/A THR 110.A OG1 GLU 34.A OE2 no hydrogen 2.686 N/A ASP 111.A N SER 108.A OG no hydrogen 3.047 N/A THR 112.A N SER 108.A O no hydrogen 2.879 N/A THR 112.A OG1 SER 108.A O no hydrogen 2.781 N/A ALA 113.A N LEU 109.A O no hydrogen 2.963 N/A ARG 114.A N THR 110.A O no hydrogen 3.104 N/A ARG 114.A NE ALA 38.A O no hydrogen 2.961 N/A LEU 115.A N ASP 111.A O no hydrogen 2.804 N/A LEU 116.A N THR 112.A O no hydrogen 2.971 N/A ARG 117.A N ALA 113.A O no hydrogen 3.011 N/A ARG 117.A NE ALA 59.A O no hydrogen 2.803 N/A ARG 117.A NH1 GLU 41.A OE1.A no hydrogen 3.108 N/A ARG 117.A NH1 GLU 41.A OE1.B no hydrogen 3.290 N/A ARG 117.A NH1 GLU 41.A OE2.B no hydrogen 2.938 N/A ARG 117.A NH2 GLU 41.A OE1.A no hydrogen 2.960 N/A ARG 117.A NH2 GLU 41.A OE1.B no hydrogen 2.631 N/A ARG 117.A NH2 ALA 59.A O no hydrogen 3.154 N/A ILE 118.A N ARG 114.A O no hydrogen 2.940 N/A ARG 119.A N LEU 115.A O no hydrogen 2.852 N/A ARG 119.A NH1 GLN 62.A OE1 no hydrogen 2.854 N/A ARG 119.A NH2 SER 94.A OG no hydrogen 2.939 N/A ARG 119.A NH2 GLN 252.A OE1 no hydrogen 2.825 N/A GLY 120.A N LEU 116.A O no hydrogen 2.873 N/A ASN 121.A N ARG 117.A O no hydrogen 2.881 N/A ALA 122.A N ILE 118.A O no hydrogen 2.913 N/A MET 123.A N ARG 119.A O no hydrogen 2.880 N/A GLN 124.A N GLY 120.A O no hydrogen 2.963 N/A ALA 125.A N ASN 121.A O no hydrogen 3.180 N/A ALA 126.A N MET 123.A O no hydrogen 3.351 N/A GLU 131.A N ALA 128.A O no hydrogen 3.111 N/A SER 133.A N GLY 173.A O no hydrogen 2.978 N/A SER 133.A OG GLY 132.A O no hydrogen 2.912 N/A SER 133.A OG PRO 197.A O no hydrogen 3.116 N/A MET 134.A N LEU 196.A O no hydrogen 3.222 N/A ALA 135.A N ILE 171.A O no hydrogen 2.963 N/A ALA 136.A N VAL 194.A O no hydrogen 2.870 N/A LEU 137.A N ILE 169.A O no hydrogen 2.824 N/A ILE 138.A N ARG 192.A O no hydrogen 2.884 N/A GLY 139.A N GLY 167.A O no hydrogen 2.906 N/A ASP 144.A N ASP 141.A OD1 no hydrogen 2.877 N/A VAL 145.A N ASP 141.A O no hydrogen 3.016 N/A GLU 146.A N GLU 142.A O no hydrogen 2.805 N/A GLU 147.A N LYS 143.A O no hydrogen 3.008 N/A ILE 148.A N ASP 144.A O no hydrogen 3.088 N/A CYS 149.A N VAL 145.A O no hydrogen 2.927 N/A CYS 149.A SG VAL 145.A O no hydrogen 3.429 N/A CYS 149.A SG CYS 158.A O no hydrogen 3.215 N/A GLU 150.A N GLU 146.A O no hydrogen 3.126 N/A ILE 151.A N GLU 147.A O no hydrogen 2.841 N/A VAL 152.A N ILE 148.A O no hydrogen 3.129 N/A ALA 153.A N GLU 150.A O no hydrogen 3.210 N/A GLU 155.A N VAL 152.A O no hydrogen 2.831 N/A GLY 156.A N VAL 152.A O no hydrogen 3.227 N/A LEU 157.A N GLU 174.A OE1 no hydrogen 2.760 N/A GLN 159.A N SER 172.A O no hydrogen 2.823 N/A ALA 161.A N VAL 170.A O no hydrogen 2.710 N/A ASN 162.A N VAL 170.A O no hydrogen 3.088 N/A ASN 162.A ND2 ALA 161.A O no hydrogen 2.924 N/A ASP 163.A N VAL 257.A O no hydrogen 3.011 N/A ASN 164.A N GLN 168.A O no hydrogen 2.937 N/A ASN 164.A ND2 ASN 162.A OD1 no hydrogen 3.105 N/A GLN 168.A N GLY 165.A O no hydrogen 2.959 N/A ILE 169.A N LEU 137.A O no hydrogen 2.976 N/A VAL 170.A N ASN 162.A O no hydrogen 3.028 N/A ILE 171.A N ALA 135.A O no hydrogen 2.935 N/A SER 172.A N GLN 159.A O no hydrogen 2.928 N/A SER 172.A OG.A PHE 202.A O no hydrogen 2.704 N/A SER 172.A OG.B PHE 202.A O no hydrogen 2.860 N/A SER 172.A OG.B HIS 203.A O no hydrogen 3.331 N/A GLY 173.A N SER 133.A O no hydrogen 3.150 N/A GLU 174.A N LEU 157.A O no hydrogen 2.819 N/A ALA 175.A N GLU 131.A O no hydrogen 2.903 N/A VAL 178.A N GLU 174.A O no hydrogen 2.954 N/A GLU 179.A N ALA 175.A O no hydrogen 2.940 N/A THR 180.A N LYS 176.A O no hydrogen 3.002 N/A THR 180.A OG1 LYS 176.A O no hydrogen 2.999 N/A ALA 181.A N ALA 177.A O no hydrogen 2.893 N/A VAL 182.A N VAL 178.A O no hydrogen 2.972 N/A GLU 183.A N GLU 179.A O no hydrogen 3.251 N/A VAL 184.A N THR 180.A O no hydrogen 2.947 N/A ALA 185.A N ALA 181.A O no hydrogen 2.816 N/A SER 186.A N VAL 182.A O no hydrogen 2.958 N/A SER 186.A OG.B VAL 182.A O no hydrogen 3.181 N/A GLN 187.A N GLU 183.A O no hydrogen 2.956 N/A LYS 188.A N VAL 184.A O no hydrogen 2.854 N/A GLY 189.A N SER 186.A O no hydrogen 3.084 N/A ALA 190.A N ALA 185.A O no hydrogen 2.932 N/A ARG 192.A N ILE 138.A O no hydrogen 3.290 N/A VAL 194.A N ALA 136.A O no hydrogen 2.904 N/A LEU 196.A N MET 134.A O no hydrogen 2.799 N/A SER 199.A N LEU 196.A O no hydrogen 3.286 N/A SER 199.A OG ALA 200.A O no hydrogen 2.729 N/A PHE 202.A N ALA 200.A O no hydrogen 2.862 N/A HIS 203.A ND1 GLN 252.A O no hydrogen 2.845 N/A HIS 203.A NE2 SER 94.A OG no hydrogen 2.936 N/A SER 204.A OG PRO 201.A O no hydrogen 2.817 N/A ALA 205.A N GLN 159.A OE1 no hydrogen 2.808 N/A LEU 206.A N SER 204.A OG no hydrogen 3.256 N/A MET 207.A N SER 204.A O no hydrogen 3.028 N/A GLN 208.A N ALA 205.A O no hydrogen 3.111 N/A GLN 208.A NE2 ASN 212.A OD1 no hydrogen 3.127 N/A ALA 210.A N MET 207.A O no hydrogen 2.843 N/A ALA 211.A N MET 207.A O no hydrogen 3.100 N/A ASN 212.A N GLN 208.A O no hydrogen 3.020 N/A ALA 213.A N PRO 209.A O no hydrogen 3.093 N/A MET 214.A N ALA 210.A O no hydrogen 2.976 N/A LYS 215.A N ALA 211.A O no hydrogen 2.902 N/A ASN 216.A N ASN 212.A O no hydrogen 3.151 N/A ALA 217.A N ALA 213.A O no hydrogen 3.042 N/A LEU 218.A N MET 214.A O no hydrogen 2.816 N/A LEU 219.A N LYS 215.A O no hydrogen 3.047 N/A THR 220.A N.A ALA 217.A O no hydrogen 3.404 N/A THR 220.A N.B ALA 217.A O no hydrogen 3.325 N/A THR 220.A OG1.A ALA 217.A O no hydrogen 3.450 N/A THR 220.A OG1.B ASN 216.A O no hydrogen 3.310 N/A THR 220.A OG1.B ALA 217.A O no hydrogen 3.022 N/A LYS 223.A NZ GLU 243.A OE2.B no hydrogen 2.489 N/A THR 224.A N THR 106.A O no hydrogen 3.053 N/A ILE 227.A N ALA 104.A O no hydrogen 2.955 N/A LEU 230.A N GLU 239.A O no hydrogen 2.941 N/A ILE 231.A N VAL 90.A O no hydrogen 2.838 N/A ASN 233.A N GLU 97.A OE2 no hydrogen 2.739 N/A ASN 233.A ND2 GLY 92.A O no hydrogen 2.853 N/A SER 235.A OG GLU 239.A OE2 no hydrogen 2.658 N/A VAL 236.A N ALA 232.A O no hydrogen 2.882 N/A GLU 239.A N LEU 230.A O no hydrogen 2.764 N/A GLU 243.A N ASP 241.A OD1.A no hydrogen 3.018 N/A ARG 244.A N ASP 241.A OD2.B no hydrogen 3.049 N/A ARG 244.A NE GLU 239.A OE1 no hydrogen 2.857 N/A ARG 244.A NE GLU 239.A OE2 no hydrogen 3.248 N/A ARG 244.A NH2 GLU 239.A OE2 no hydrogen 2.920 N/A ILE 245.A N ASP 241.A O no hydrogen 2.853 N/A VAL 246.A N PRO 242.A O no hydrogen 2.972 N/A SER 247.A N GLU 243.A O no hydrogen 3.225 N/A SER 247.A OG.B GLU 243.A O no hydrogen 3.458 N/A LEU 248.A N ARG 244.A O no hydrogen 2.908 N/A LEU 249.A N ILE 245.A O no hydrogen 2.872 N/A VAL 250.A N VAL 246.A O no hydrogen 3.093 N/A GLN 251.A N SER 247.A O no hydrogen 2.949 N/A GLN 251.A NE2 SER 247.A O no hydrogen 3.447 N/A GLN 251.A NE2 SER 247.A OG.A no hydrogen 2.858 N/A GLN 252.A N LEU 248.A O no hydrogen 2.880 N/A GLN 252.A NE2 SER 94.A OG no hydrogen 3.241 N/A GLN 252.A NE2 ASN 233.A OD1 no hydrogen 2.898 N/A VAL 253.A N VAL 250.A O no hydrogen 3.237 N/A THR 254.A N GLN 251.A O no hydrogen 3.321 N/A THR 254.A OG1 GLN 251.A O no hydrogen 3.444 N/A GLY 255.A N GLN 252.A O no hydrogen 3.200 N/A ARG 256.A NH1.A GLU 261.A OE1 no hydrogen 3.032 N/A ARG 256.A NH1.B GLU 142.A OE2 no hydrogen 2.601 N/A ARG 256.A NH1.B GLU 146.A OE2 no hydrogen 3.036 N/A ARG 256.A NH2.B GLU 146.A OE2 no hydrogen 2.805 N/A VAL 257.A N ALA 161.A O no hydrogen 2.877 N/A ARG 258.A N ASN 233.A O no hydrogen 3.196 N/A ARG 258.A NE GLU 261.A OE1 no hydrogen 2.849 N/A ARG 258.A NH1 VAL 234.A O no hydrogen 2.971 N/A ARG 258.A NH2 GLU 261.A OE2 no hydrogen 2.989 N/A ARG 260.A N ASP 163.A O no hydrogen 2.923 N/A ARG 260.A NE ASP 163.A OD2 no hydrogen 2.811 N/A ARG 260.A NH2 GLU 142.A OE1 no hydrogen 3.290 N/A ARG 260.A NH2 ASP 163.A OD2 no hydrogen 3.217 N/A THR 262.A N ARG 258.A O no hydrogen 3.043 N/A THR 262.A OG1 ARG 258.A O no hydrogen 2.792 N/A ILE 263.A N TRP 259.A O no hydrogen 2.998 N/A GLU 264.A N ARG 260.A O no hydrogen 2.978 N/A TRP 265.A N GLU 261.A O no hydrogen 2.786 N/A ILE 266.A N THR 262.A O no hydrogen 2.928 N/A SER 267.A N ILE 263.A O no hydrogen 2.957 N/A SER 267.A OG ILE 263.A O no hydrogen 2.813 N/A ALA 268.A N GLU 264.A O no hydrogen 3.155 N/A ALA 268.A N TRP 265.A O no hydrogen 3.092 N/A ASN 269.A N ILE 266.A O no hydrogen 3.177 N/A ASN 269.A ND2 TRP 265.A O no hydrogen 2.808 N/A ASN 272.A N GLY 2.A O no hydrogen 3.015 N/A ASN 272.A ND2 GLY 2.A O no hydrogen 3.088 N/A THR 273.A N GLY 2.A O no hydrogen 3.295 N/A LEU 274.A N LYS 295.A O no hydrogen 2.821 N/A PHE 275.A N ALA 4.A O no hydrogen 2.963 N/A GLU 276.A N LEU 297.A O no hydrogen 2.877 N/A ILE 277.A N THR 6.A O no hydrogen 2.897 N/A GLY 278.A N VAL 299.A O no hydrogen 2.985 N/A SER 279.A OG SER 12.A O no hydrogen 2.842 N/A LEU 283.A N GLU 276.A OE2 no hydrogen 2.794 N/A THR 284.A N GLU 276.A OE1 no hydrogen 2.824 N/A THR 284.A OG1 GLU 276.A OE1 no hydrogen 2.707 N/A GLY 285.A N LYS 281.A O no hydrogen 3.014 N/A LEU 286.A N VAL 282.A O no hydrogen 3.186 N/A ALA 287.A N LEU 283.A O no hydrogen 2.842 N/A ARG 288.A N THR 284.A O no hydrogen 3.098 N/A ARG 288.A NH2 ALA 296.A O no hydrogen 2.648 N/A ARG 289.A N GLY 285.A O no hydrogen 3.385 N/A ARG 289.A N LEU 286.A O no hydrogen 3.061 N/A ILE 290.A N LEU 286.A O no hydrogen 2.938 N/A ASN 291.A N ALA 287.A O no hydrogen 2.935 N/A ASP 293.A N ASN 291.A OD1 no hydrogen 2.785 N/A ILE 294.A N ASN 291.A OD1 no hydrogen 3.024 N/A LYS 295.A N ASN 272.A O no hydrogen 2.991 N/A LEU 297.A N LEU 274.A O no hydrogen 2.957 N/A THR 298.A OG1 GLU 304.A OE2 no hydrogen 2.659 N/A VAL 299.A N GLU 276.A O no hydrogen 2.744 N/A GLY 300.A N GLU 304.A OE1 no hydrogen 2.801 N/A THR 301.A N GLU 304.A OE1 no hydrogen 3.283 N/A GLU 304.A N THR 301.A OG1 no hydrogen 3.111 N/A ILE 305.A N THR 301.A O no hydrogen 2.792 N/A GLU 306.A N ALA 302.A O no hydrogen 2.931 N/A ALA 307.A N GLU 303.A O no hydrogen 3.012 N/A ALA 308.A N GLU 304.A O no hydrogen 2.922 N/A LEU 309.A N ILE 305.A O no hydrogen 2.975 N/A ARG 310.A N GLU 306.A O no hydrogen 3.132 N/A VAL 311.A N ALA 307.A O no hydrogen 3.005 N/A LEU 312.A N ALA 308.A O no hydrogen 2.931 N/A GLY 313.A N ARG 310.A O no hydrogen 3.128 N/A VAL 314.A N LEU 309.A O no hydrogen 2.960 N/A