Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 18.A O no hydrogen 2.866 N/A VAL 5.A N PHE 16.A O no hydrogen 2.816 N/A ARG 6.A N LEU 74.A O no hydrogen 2.764 N/A VAL 7.A N LEU 14.A O no hydrogen 2.843 N/A THR 8.A N PHE 76.A O no hydrogen 3.036 N/A THR 8.A OG1 GLU 13.A OE2 no hydrogen 2.618 N/A THR 9.A N ALA 12.A O no hydrogen 2.792 N/A LEU 14.A N VAL 7.A O no hydrogen 3.105 N/A PHE 16.A N VAL 5.A O no hydrogen 2.854 N/A ILE 18.A N ILE 3.A O no hydrogen 2.825 N/A GLN 19.A N THR 22.A OG1 no hydrogen 2.892 N/A THR 22.A N GLN 19.A O no hydrogen 3.001 N/A THR 22.A OG1 GLN 19.A O no hydrogen 3.223 N/A THR 23.A N GLN 26.A OE1 no hydrogen 3.179 N/A GLY 24.A N LYS 61.A O no hydrogen 3.128 N/A LYS 25.A N LEU 59.A O no hydrogen 2.790 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.201 N/A LEU 27.A N THR 23.A O no hydrogen 3.120 N/A PHE 28.A N GLY 24.A O no hydrogen 2.870 N/A ASP 29.A N LYS 25.A O no hydrogen 2.860 N/A GLN 30.A N GLN 26.A O no hydrogen 3.181 N/A VAL 31.A N LEU 27.A O no hydrogen 3.134 N/A VAL 32.A N PHE 28.A O no hydrogen 3.045 N/A LYS 33.A N ASP 29.A O no hydrogen 2.894 N/A THR 34.A N GLN 30.A O no hydrogen 3.015 N/A THR 34.A OG1 GLN 30.A O no hydrogen 2.756 N/A THR 34.A OG1 GLN 30.A OE1 no hydrogen 3.452 N/A ILE 35.A N VAL 31.A O no hydrogen 3.099 N/A GLY 36.A N LYS 33.A O no hydrogen 3.201 N/A LEU 37.A N VAL 32.A O no hydrogen 2.885 N/A ARG 38.A N GLN 93.A OE1 no hydrogen 2.964 N/A VAL 40.A N ARG 38.A O no hydrogen 2.873 N/A PHE 43.A N VAL 40.A O no hydrogen 2.865 N/A GLY 44.A N ARG 79.A O no hydrogen 2.909 N/A GLN 46.A N LYS 77.A O no hydrogen 2.854 N/A TYR 47.A N THR 55.A O no hydrogen 2.848 N/A GLN 48.A NE2 GLY 52.A O no hydrogen 3.515 N/A ASP 49.A N PHE 53.A O no hydrogen 2.914 N/A THR 50.A N ASP 67.A O no hydrogen 3.032 N/A GLY 52.A N ASP 49.A O no hydrogen 2.935 N/A PHE 53.A N ASP 49.A OD1 no hydrogen 2.755 N/A SER 54.A OG GLN 48.A OE1 no hydrogen 3.469 N/A THR 55.A N TYR 47.A O no hydrogen 2.812 N/A THR 55.A OG1 PHE 53.A O no hydrogen 2.959 N/A LEU 57.A N LEU 45.A O no hydrogen 2.870 N/A LYS 58.A N GLN 66.A OE1 no hydrogen 2.977 N/A LYS 62.A NZ ASN 21.A OD1 no hydrogen 2.918 N/A VAL 63.A N THR 22.A O no hydrogen 2.867 N/A THR 64.A OG1 PRO 20.A O no hydrogen 3.166 N/A ALA 65.A N LYS 62.A O no hydrogen 3.014 N/A GLN 66.A N VAL 63.A O no hydrogen 3.476 N/A GLN 66.A NE2 LYS 58.A O no hydrogen 2.841 N/A GLN 66.A NE2 LYS 61.A O no hydrogen 3.256 N/A GLN 66.A NE2 LYS 62.A O no hydrogen 3.475 N/A ARG 69.A N GLN 48.A O no hydrogen 3.355 N/A GLU 71.A N ARG 69.A O no hydrogen 2.865 N/A SER 72.A OG SER 4.A OG no hydrogen 3.240 N/A LEU 74.A N SER 4.A O no hydrogen 2.904 N/A PHE 76.A N ARG 6.A O no hydrogen 3.011 N/A LYS 77.A N GLN 46.A O no hydrogen 2.999 N/A PHE 78.A N THR 8.A O no hydrogen 2.903 N/A ARG 79.A N GLY 44.A O no hydrogen 3.018 N/A ARG 79.A NH2 GLU 106.A OE2 no hydrogen 2.813 N/A ALA 80.A N GLN 103.A OE1 no hydrogen 2.997 N/A LYS 81.A N PHE 42.A O no hydrogen 2.762 N/A PHE 82.A N PHE 42.A O no hydrogen 3.128 N/A GLU 85.A N GLU 90.A OE2 no hydrogen 3.044 N/A VAL 87.A N GLN 191.A OE1 no hydrogen 2.951 N/A GLU 89.A N ASP 86.A OD2 no hydrogen 3.206 N/A GLU 90.A N ASP 86.A O no hydrogen 2.969 N/A LEU 91.A N VAL 87.A O no hydrogen 3.028 N/A ILE 92.A N GLU 39.A OE2 no hydrogen 3.195 N/A GLN 93.A N GLU 39.A OE1 no hydrogen 2.861 N/A GLN 93.A NE2 GLY 36.A O no hydrogen 3.695 N/A THR 96.A OG1 GLU 39.A OE1 no hydrogen 2.616 N/A GLN 97.A N GLN 93.A O no hydrogen 3.104 N/A GLN 97.A NE2 LEU 91.A O no hydrogen 2.883 N/A ARG 98.A N ASP 94.A O no hydrogen 2.936 N/A ARG 98.A NE ASP 11.A OD2 no hydrogen 2.767 N/A LEU 99.A N ILE 95.A O no hydrogen 2.943 N/A PHE 100.A N THR 96.A O no hydrogen 3.081 N/A PHE 101.A N GLN 97.A O no hydrogen 2.902 N/A LEU 102.A N ARG 98.A O no hydrogen 3.016 N/A GLN 103.A N LEU 99.A O no hydrogen 3.403 N/A GLN 103.A NE2 ALA 80.A O no hydrogen 3.225 N/A VAL 104.A N PHE 100.A O no hydrogen 2.950 N/A LYS 105.A N PHE 101.A O no hydrogen 2.808 N/A GLU 106.A N LEU 102.A O no hydrogen 2.955 N/A GLY 107.A N GLN 103.A O no hydrogen 3.107 N/A ILE 108.A N VAL 104.A O no hydrogen 2.921 N/A LEU 109.A N LYS 105.A O no hydrogen 3.000 N/A ASN 110.A N GLU 106.A O no hydrogen 3.078 N/A ASP 111.A N ILE 108.A O no hydrogen 3.185 N/A ASP 112.A N GLY 107.A O no hydrogen 3.049 N/A ILE 113.A N GLY 107.A O no hydrogen 3.139 N/A CYS 115.A SG PRO 116.A O no hydrogen 3.646 N/A ALA 120.A N PRO 116.A O no hydrogen 2.874 N/A VAL 121.A N PRO 117.A O no hydrogen 3.092 N/A LEU 122.A N GLU 118.A O no hydrogen 3.285 N/A LEU 123.A N THR 119.A O no hydrogen 2.870 N/A ALA 124.A N ALA 120.A O no hydrogen 2.861 N/A SER 125.A N VAL 121.A O no hydrogen 3.021 N/A SER 125.A OG LEU 122.A O no hydrogen 2.506 N/A SER 125.A OG HIS 174.A NE2 no hydrogen 2.915 N/A TYR 126.A N LEU 122.A O no hydrogen 3.403 N/A ALA 127.A N LEU 123.A O no hydrogen 3.078 N/A VAL 128.A N ALA 124.A O no hydrogen 2.882 N/A GLN 129.A N SER 125.A O no hydrogen 2.868 N/A GLN 129.A NE2 ASP 134.A OD1 no hydrogen 3.515 N/A GLN 129.A NE2 MET 177.A O no hydrogen 2.875 N/A SER 130.A N TYR 126.A O no hydrogen 3.147 N/A LYS 131.A N ALA 127.A O no hydrogen 3.012 N/A LYS 131.A NZ ASP 145.A OD2 no hydrogen 2.710 N/A TYR 132.A N VAL 128.A O no hydrogen 2.733 N/A TYR 132.A OH TYR 141.A O no hydrogen 3.159 N/A TYR 132.A OH ASP 145.A OD1 no hydrogen 2.511 N/A TYR 132.A OH ASP 145.A OD2 no hydrogen 3.158 N/A TYR 141.A OH HIS 171.A ND1 no hydrogen 2.795 N/A ALA 143.A N GLY 140.A O no hydrogen 3.226 N/A ASP 145.A N LEU 142.A O no hydrogen 3.463 N/A ARG 151.A N ASP 111.A OD1 no hydrogen 3.106 N/A VAL 152.A N PRO 149.A O no hydrogen 3.058 N/A LEU 153.A N PRO 149.A O no hydrogen 3.266 N/A GLU 154.A N GLN 150.A O no hydrogen 2.823 N/A GLN 155.A N ARG 151.A O no hydrogen 3.157 N/A HIS 156.A N VAL 152.A O no hydrogen 3.034 N/A ASN 159.A N GLN 162.A OE1 no hydrogen 3.215 N/A GLN 162.A N ASN 159.A O no hydrogen 2.827 N/A TRP 163.A N LYS 160.A O no hydrogen 3.234 N/A GLU 164.A N LYS 160.A O no hydrogen 3.336 N/A GLU 165.A N ASP 161.A O no hydrogen 3.003 N/A ARG 166.A N GLN 162.A O no hydrogen 3.129 N/A ILE 167.A N TRP 163.A O no hydrogen 2.971 N/A GLN 168.A N GLU 164.A O no hydrogen 2.856 N/A VAL 169.A N GLU 165.A O no hydrogen 3.128 N/A HIS 171.A N ILE 167.A O no hydrogen 2.849 N/A HIS 171.A ND1 TYR 141.A OH no hydrogen 2.795 N/A HIS 171.A NE2 GLY 133.A O no hydrogen 2.850 N/A GLU 172.A N GLN 168.A O no hydrogen 2.960 N/A GLU 172.A N VAL 169.A O no hydrogen 3.142 N/A GLU 173.A N VAL 169.A O no hydrogen 3.356 N/A GLU 173.A N TRP 170.A O no hydrogen 3.116 N/A HIS 174.A N TRP 170.A O no hydrogen 3.416 N/A HIS 174.A NE2 SER 125.A OG no hydrogen 2.915 N/A ARG 175.A N GLU 172.A O no hydrogen 3.371 N/A GLY 176.A N ASP 134.A OD1 no hydrogen 2.819 N/A MET 177.A N HIS 174.A O no hydrogen 3.014 N/A ALA 182.A N LEU 178.A O no hydrogen 3.002 N/A VAL 183.A N ARG 179.A O no hydrogen 3.242 N/A LEU 184.A N GLU 180.A O no hydrogen 3.273 N/A GLU 185.A N ASP 181.A O no hydrogen 3.058 N/A TYR 186.A N ALA 182.A O no hydrogen 2.926 N/A LEU 187.A N VAL 183.A O no hydrogen 3.377 N/A LYS 188.A N LEU 184.A O no hydrogen 2.921 N/A LYS 188.A NZ SER 88.A OG no hydrogen 3.116 N/A ILE 189.A N GLU 185.A O no hydrogen 3.395 N/A ILE 189.A N TYR 186.A O no hydrogen 3.180 N/A ALA 190.A N TYR 186.A O no hydrogen 2.841 N/A GLN 191.A N LEU 187.A O no hydrogen 2.894 N/A GLN 191.A NE2 ASP 86.A OD1 no hydrogen 2.928 N/A ASP 192.A N ILE 189.A O no hydrogen 3.169 N/A LEU 193.A N ALA 190.A O no hydrogen 3.142 N/A TYR 196.A N LEU 193.A O no hydrogen 3.409 N/A VAL 198.A N MET 195.A O no hydrogen 3.448 N/A ASN 199.A N VAL 215.A O no hydrogen 3.107 N/A ASN 199.A ND2 VAL 215.A O no hydrogen 3.094 N/A TYR 200.A OH ARG 228.A O no hydrogen 2.817 N/A PHE 201.A N LEU 213.A O no hydrogen 2.934 N/A ILE 203.A N LEU 211.A O no hydrogen 3.490 N/A LYS 204.A N TYR 265.A O no hydrogen 2.988 N/A ASN 205.A N SER 209.A O no hydrogen 3.278 N/A GLY 208.A N ASN 205.A O no hydrogen 3.275 N/A GLY 208.A N ASN 205.A OD1 no hydrogen 2.985 N/A SER 209.A N ASN 205.A OD1 no hydrogen 2.859 N/A LEU 211.A N ILE 203.A O no hydrogen 2.918 N/A TRP 212.A N TYR 223.A O no hydrogen 3.005 N/A TRP 212.A NE1 GLN 225.A O no hydrogen 3.212 N/A LEU 213.A N PHE 201.A O no hydrogen 2.829 N/A GLY 214.A N ASN 221.A O no hydrogen 2.889 N/A VAL 215.A N ASN 199.A O no hydrogen 2.947 N/A ASP 216.A N GLY 219.A O no hydrogen 2.967 N/A LEU 218.A N ASP 216.A OD1 no hydrogen 2.874 N/A GLY 219.A N ASP 216.A O no hydrogen 3.289 N/A LEU 220.A N PHE 235.A O no hydrogen 2.888 N/A ASN 221.A N GLY 214.A O no hydrogen 3.037 N/A ILE 222.A N ILE 233.A O no hydrogen 2.851 N/A TYR 223.A N TRP 212.A O no hydrogen 2.895 N/A ASP 227.A N GLU 224.A O no hydrogen 3.171 N/A LEU 229.A N ASP 227.A OD1 no hydrogen 3.142 N/A THR 230.A N ASP 227.A OD1 no hydrogen 3.242 N/A LYS 232.A N ILE 222.A O no hydrogen 2.741 N/A ILE 233.A N ILE 222.A O no hydrogen 3.442 N/A PHE 235.A N LEU 220.A O no hydrogen 2.802 N/A TRP 237.A N LEU 218.A O no hydrogen 3.030 N/A GLU 239.A N PRO 236.A O no hydrogen 2.984 N/A ILE 240.A N TRP 237.A O no hydrogen 3.313 N/A ARG 241.A N LYS 253.A O no hydrogen 2.935 N/A ARG 241.A NE ASN 242.A OD1 no hydrogen 2.906 N/A ARG 241.A NH1 ASN 242.A OD1 no hydrogen 3.143 N/A ASN 242.A N LYS 253.A O no hydrogen 3.473 N/A SER 244.A N VAL 251.A O no hydrogen 2.961 N/A SER 244.A OG ASN 246.A OD1 no hydrogen 3.162 N/A ASN 246.A N LYS 249.A O no hydrogen 2.864 N/A LYS 249.A N ASN 246.A O no hydrogen 3.119 N/A PHE 250.A N PHE 264.A O no hydrogen 3.033 N/A VAL 251.A N SER 244.A O no hydrogen 2.940 N/A ILE 252.A N PHE 262.A O no hydrogen 2.894 N/A LYS 253.A N ASN 242.A O no hydrogen 2.874 N/A ILE 255.A N GLU 239.A O no hydrogen 3.016 N/A LYS 257.A NZ ILE 255.A O no hydrogen 2.906 N/A LYS 258.A N ASP 256.A OD1 no hydrogen 3.220 N/A ALA 259.A N ASP 256.A O no hydrogen 3.138 N/A PHE 262.A N ILE 252.A O no hydrogen 2.958 N/A PHE 264.A N PHE 250.A O no hydrogen 3.025 N/A TYR 265.A N LYS 204.A O no hydrogen 2.837 N/A ALA 266.A N LYS 248.A O no hydrogen 2.732 N/A ARG 268.A NH2 PRO 267.A O no hydrogen 3.083 N/A ARG 270.A NH1 SER 54.A O no hydrogen 2.999 N/A ARG 270.A NH2 SER 54.A O no hydrogen 3.089 N/A ASN 272.A N ARG 268.A O no hydrogen 3.424 N/A ASN 272.A ND2 LYS 249.A O no hydrogen 3.357 N/A LYS 273.A N LEU 269.A O no hydrogen 2.961 N/A ARG 274.A N ARG 270.A O no hydrogen 3.113 N/A ILE 275.A N ILE 271.A O no hydrogen 2.972 N/A ARG 276.A N ASN 272.A O no hydrogen 3.024 N/A ALA 277.A N LYS 273.A O no hydrogen 3.133 N/A LEU 278.A N ARG 274.A O no hydrogen 3.226 N/A CYS 279.A N ILE 275.A O no hydrogen 2.837 N/A CYS 279.A SG ILE 275.A O no hydrogen 3.164 N/A MET 280.A N ARG 276.A O no hydrogen 2.954 N/A GLY 281.A N ALA 277.A O no hydrogen 3.073 N/A ASN 282.A N LEU 278.A O no hydrogen 3.161 N/A ASN 282.A ND2 LEU 278.A O no hydrogen 2.851 N/A HIS 283.A N CYS 279.A O no hydrogen 3.048 N/A GLU 284.A N MET 280.A O no hydrogen 3.175 N/A LEU 285.A N GLY 281.A O no hydrogen 3.174 N/A TYR 286.A N ASN 282.A O no hydrogen 3.015 N/A MET 287.A N HIS 283.A O no hydrogen 2.835 N/A ARG 288.A N GLU 284.A O no hydrogen 3.116 N/A ARG 289.A N LEU 285.A O no hydrogen 3.027 N/A ARG 289.A NE GLU 90.A OE1 no hydrogen 2.949 N/A ARG 289.A NH1 GLU 85.A OE1 no hydrogen 3.128 N/A ARG 290.A N TYR 286.A O no hydrogen 3.218 N/A ARG 290.A N MET 287.A O no hydrogen 3.101 N/A ARG 290.A NE TYR 286.A O no hydrogen 3.370 N/A ARG 290.A NH2 GLU 85.A OE2 no hydrogen 3.096 N/A LYS 291.A N MET 287.A O no hydrogen 3.323 N/A GLN 298.A N THR 294.A O no hydrogen 2.848 N/A GLN 298.A NE2 ASP 293.A O no hydrogen 3.119 N/A GLN 299.A N ILE 295.A O no hydrogen 3.035 N/A GLN 299.A NE2 GLN 303.A OE1 no hydrogen 2.836 N/A MET 300.A N GLU 296.A O no hydrogen 3.008 N/A LYS 301.A N VAL 297.A O no hydrogen 3.008 N/A LYS 301.A NZ GLU 89.A O no hydrogen 3.108 N/A LYS 301.A NZ GLU 89.A OE2 no hydrogen 2.703 N/A LYS 301.A NZ ASP 293.A OD2 no hydrogen 3.197 N/A ALA 302.A N GLN 298.A O no hydrogen 3.077 N/A GLN 303.A N GLN 299.A O no hydrogen 2.874 N/A ALA 304.A N MET 300.A O no hydrogen 3.174 N/A ARG 305.A N LYS 301.A O no hydrogen 2.985 N/A GLU 306.A N ALA 302.A O no hydrogen 2.908 N/A GLU 307.A N GLN 303.A O no hydrogen 2.980 N/A LYS 308.A N ALA 304.A O no hydrogen 3.019 N/A HIS 309.A N ARG 305.A O no hydrogen 3.168 N/A GLN 310.A N GLU 306.A O no hydrogen 2.928 N/A LYS 311.A N GLU 307.A O no hydrogen 2.975 N/A GLN 312.A N LYS 308.A O no hydrogen 2.999 N/A MET 313.A N HIS 309.A O no hydrogen 3.074 N/A GLU 314.A N GLN 310.A O no hydrogen 2.866 N/A ARG 315.A N LYS 311.A O no hydrogen 3.049 N/A ALA 316.A N GLN 312.A O no hydrogen 3.002 N/A MET 317.A N MET 313.A O no hydrogen 2.957 N/A LEU 318.A N GLU 314.A O no hydrogen 3.277 N/A GLU 319.A N ARG 315.A O no hydrogen 3.191 N/A ASN 320.A N ALA 316.A O no hydrogen 3.190 N/A GLU 321.A N MET 317.A O no hydrogen 2.883 N/A LYS 322.A N LEU 318.A O no hydrogen 3.131 N/A LYS 323.A N GLU 319.A O no hydrogen 3.189 N/A LYS 324.A N ASN 320.A O no hydrogen 3.060 N/A ARG 325.A N GLU 321.A O no hydrogen 2.877 N/A GLU 326.A N LYS 322.A O no hydrogen 3.187 N/A MET 327.A N LYS 323.A O no hydrogen 2.891 N/A ALA 328.A N LYS 324.A O no hydrogen 2.934 N/A GLU 329.A N ARG 325.A O no hydrogen 2.909 N/A LYS 330.A N GLU 326.A O no hydrogen 3.060 N/A GLU 331.A N MET 327.A O no hydrogen 2.939 N/A LYS 332.A N ALA 328.A O no hydrogen 2.899 N/A GLU 333.A N GLU 329.A O no hydrogen 3.264 N/A LYS 334.A N LYS 330.A O no hydrogen 3.309 N/A