Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pin_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLN 5.A OE1 no hydrogen 2.968 N/A ARG 8.A NH2 ASP 16.A OD2 no hydrogen 2.393 N/A THR 9.A OG1 ASP 12.A OD2 no hydrogen 3.130 N/A ASP 13.A N THR 9.A O no hydrogen 2.948 N/A ALA 14.A N TRP 10.A O no hydrogen 2.934 N/A ASP 15.A N PHE 11.A O no hydrogen 2.842 N/A ASP 16.A N ASP 12.A O no hydrogen 2.899 N/A TRP 17.A N ASP 13.A O no hydrogen 2.994 N/A LEU 18.A N ALA 14.A O no hydrogen 2.885 N/A ARG 19.A N ASP 15.A O no hydrogen 2.909 N/A ASP 21.A N GLN 20.A OE1 no hydrogen 3.430 N/A GLY 27.A N LEU 18.A O no hydrogen 2.996 N/A TRP 28.A N GLU 127.A OE1 no hydrogen 3.196 N/A TRP 28.A NE1 ASP 15.A OD1 no hydrogen 2.367 N/A SER 29.A OG GLU 127.A OE2 no hydrogen 2.430 N/A GLY 30.A N VAL 26.A O no hydrogen 2.840 N/A LEU 31.A N TRP 28.A O no hydrogen 2.936 N/A LEU 32.A N SER 29.A O no hydrogen 2.859 N/A LEU 33.A N SER 29.A O no hydrogen 2.471 N/A CYS 36.A N LEU 32.A O no hydrogen 3.014 N/A ALA 37.A N LEU 33.A O no hydrogen 2.807 N/A TYR 38.A N LEU 34.A O no hydrogen 2.958 N/A PHE 39.A N PRO 35.A O no hydrogen 2.918 N/A ALA 40.A N CYS 36.A O no hydrogen 2.941 N/A VAL 41.A N ALA 37.A O no hydrogen 2.990 N/A GLY 42.A N TYR 38.A O no hydrogen 2.893 N/A GLY 43.A N PHE 39.A O no hydrogen 2.837 N/A TRP 44.A N ALA 40.A O no hydrogen 2.988 N/A TRP 44.A NE1 PHE 169.A O no hydrogen 2.933 N/A LEU 45.A N VAL 41.A O no hydrogen 2.932 N/A THR 46.A N GLY 42.A O no hydrogen 2.857 N/A THR 46.A OG1 GLY 42.A O no hydrogen 2.517 N/A GLY 47.A N GLY 43.A O no hydrogen 2.852 N/A CYS 48.A N TRP 44.A O no hydrogen 2.918 N/A THR 49.A N THR 46.A O no hydrogen 3.184 N/A THR 49.A OG1 LEU 45.A O no hydrogen 2.351 N/A PHE 50.A N THR 46.A O no hydrogen 2.814 N/A THR 52.A OG1 GLU 65.A OE2 no hydrogen 2.877 N/A SER 53.A OG SER 53.A O no hydrogen 2.483 N/A SER 53.A OG THR 56.A OG1 no hydrogen 3.309 N/A TRP 54.A N THR 52.A OG1 no hydrogen 3.142 N/A THR 56.A OG1 SER 53.A OG no hydrogen 3.309 N/A THR 56.A OG1 THR 76.A O no hydrogen 3.544 N/A HIS 57.A N SER 53.A O no hydrogen 3.132 N/A HIS 57.A NE2 THR 76.A O no hydrogen 3.052 N/A HIS 57.A NE2 THR 76.A OG1 no hydrogen 2.851 N/A GLY 58.A N TRP 54.A O no hydrogen 3.107 N/A LEU 59.A N SER 53.A O no hydrogen 3.224 N/A SER 61.A OG SER 61.A O no hydrogen 2.529 N/A SER 61.A OG ALA 73.A O no hydrogen 2.636 N/A SER 62.A OG GLU 65.A OE1 no hydrogen 2.617 N/A TYR 63.A N CYS 48.A O no hydrogen 2.677 N/A ILE 64.A N SER 62.A OG no hydrogen 3.400 N/A GLU 65.A N SER 62.A O no hydrogen 3.437 N/A CYS 67.A N SER 62.A O no hydrogen 3.315 N/A CYS 67.A SG ALA 60.A O no hydrogen 3.142 N/A LEU 70.A N ASN 68.A OD1 no hydrogen 2.930 N/A THR 71.A N ASN 68.A OD1 no hydrogen 3.314 N/A ALA 72.A N ASN 68.A O no hydrogen 3.333 N/A ALA 73.A N SER 61.A O no hydrogen 3.256 N/A VAL 74.A N PHE 169.A O no hydrogen 2.867 N/A SER 75.A OG SER 53.A OG no hydrogen 3.255 N/A THR 76.A N SER 168.A OG no hydrogen 3.337 N/A THR 76.A OG1 HIS 57.A NE2 no hydrogen 2.851 N/A THR 76.A OG1 PHE 164.A O no hydrogen 3.017 N/A ASN 79.A ND2 SER 161.A OG no hydrogen 2.401 N/A LEU 81.A N ALA 78.A O no hydrogen 2.906 N/A GLY 82.A N ASN 79.A O no hydrogen 2.940 N/A HIS 83.A NE2 PRO 157.A O no hydrogen 2.612 N/A SER 84.A N LEU 81.A O no hydrogen 3.243 N/A SER 84.A OG GLU 92.A OE2 no hydrogen 2.575 N/A LEU 86.A N SER 84.A OG no hydrogen 3.159 N/A GLY 90.A N PHE 87.A O no hydrogen 3.279 N/A GLN 94.A N GLY 90.A O no hydrogen 2.949 N/A GLY 95.A N VAL 88.A O no hydrogen 2.751 N/A ASP 96.A N ALA 93.A O no hydrogen 3.289 N/A ARG 99.A N ASP 96.A OD2 no hydrogen 2.714 N/A TRP 100.A N ASP 96.A O no hydrogen 2.939 N/A TRP 100.A NE1 LEU 86.A O no hydrogen 2.595 N/A PHE 101.A N LEU 97.A O no hydrogen 2.946 N/A GLN 102.A N THR 98.A O no hydrogen 3.331 N/A LEU 103.A N ARG 99.A O no hydrogen 3.086 N/A GLY 104.A N PHE 101.A O no hydrogen 3.401 N/A GLY 105.A N TRP 100.A O no hydrogen 2.960 N/A TRP 107.A N GLY 104.A O no hydrogen 3.336 N/A TRP 107.A NE1 PRO 167.A O no hydrogen 2.806 N/A PHE 109.A N GLY 105.A O no hydrogen 2.958 N/A VAL 110.A N LEU 106.A O no hydrogen 2.886 N/A ALA 111.A N TRP 107.A O no hydrogen 2.857 N/A LEU 112.A N ALA 108.A O no hydrogen 2.965 N/A HIS 113.A N PHE 109.A O no hydrogen 2.974 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 2.906 N/A GLY 114.A N VAL 110.A O no hydrogen 2.811 N/A ALA 115.A N ALA 111.A O no hydrogen 2.915 N/A PHE 116.A N LEU 112.A O no hydrogen 3.024 N/A GLY 117.A N HIS 113.A O no hydrogen 2.859 N/A LEU 118.A N GLY 114.A O no hydrogen 2.858 N/A ILE 119.A N ALA 115.A O no hydrogen 3.026 N/A GLY 120.A N PHE 116.A O no hydrogen 2.888 N/A PHE 121.A N GLY 117.A O no hydrogen 2.844 N/A MET 122.A N LEU 118.A O no hydrogen 2.987 N/A LEU 123.A N ILE 119.A O no hydrogen 2.952 N/A ARG 124.A N GLY 120.A O no hydrogen 2.850 N/A GLN 125.A N PHE 121.A O no hydrogen 2.950 N/A PHE 126.A N MET 122.A O no hydrogen 2.937 N/A GLU 127.A N LEU 123.A O no hydrogen 2.917 N/A ILE 128.A N ARG 124.A O no hydrogen 2.936 N/A ALA 129.A N GLN 125.A O no hydrogen 2.931 N/A ARG 130.A N PHE 126.A O no hydrogen 2.944 N/A ARG 130.A NE ARG 130.A O no hydrogen 3.400 N/A SER 131.A N GLU 127.A O no hydrogen 2.845 N/A SER 131.A OG GLU 127.A O no hydrogen 2.630 N/A VAL 132.A N ILE 128.A O no hydrogen 2.952 N/A ASN 133.A N ARG 130.A O no hydrogen 3.341 N/A LEU 134.A N ALA 129.A O no hydrogen 2.618 N/A ILE 140.A N PRO 136.A O no hydrogen 3.035 N/A ALA 141.A N TYR 137.A O no hydrogen 2.860 N/A PHE 142.A N ASN 138.A O no hydrogen 2.886 N/A SER 143.A N ILE 140.A O no hydrogen 3.212 N/A SER 143.A OG ILE 140.A O no hydrogen 2.843 N/A ILE 146.A N PHE 142.A O no hydrogen 3.489 N/A ALA 147.A N SER 143.A O no hydrogen 2.946 N/A VAL 148.A N ALA 144.A O no hydrogen 2.934 N/A PHE 149.A N PRO 145.A O no hydrogen 2.899 N/A VAL 150.A N ILE 146.A O no hydrogen 2.894 N/A SER 151.A N ALA 147.A O no hydrogen 2.943 N/A SER 151.A OG ALA 147.A O no hydrogen 3.179 N/A SER 151.A OG VAL 148.A O no hydrogen 3.072 N/A VAL 152.A N VAL 148.A O no hydrogen 2.941 N/A PHE 153.A N PHE 149.A O no hydrogen 2.844 N/A LEU 154.A N VAL 150.A O no hydrogen 2.908 N/A ILE 155.A N VAL 150.A O no hydrogen 2.786 N/A TYR 156.A N SER 151.A O no hydrogen 2.884 N/A TYR 156.A OH HIS 185.A NE2 no hydrogen 3.001 N/A LEU 158.A N LEU 154.A O no hydrogen 2.918 N/A GLY 159.A N ILE 155.A O no hydrogen 2.896 N/A GLN 160.A N TYR 156.A O no hydrogen 2.954 N/A GLN 160.A NE2 ASN 288.A OD1 no hydrogen 3.149 N/A TRP 163.A N GLY 82.A O no hydrogen 2.888 N/A TRP 163.A NE1 SER 84.A O no hydrogen 2.543 N/A PHE 165.A N GLY 162.A O no hydrogen 3.002 N/A ALA 166.A N TRP 163.A O no hydrogen 2.890 N/A PHE 169.A N VAL 74.A O no hydrogen 2.952 N/A ALA 172.A N LEU 70.A O no hydrogen 2.719 N/A SER 173.A OG SER 168.A O no hydrogen 2.221 N/A ILE 174.A N GLY 170.A O no hydrogen 3.399 N/A PHE 175.A N VAL 171.A O no hydrogen 3.021 N/A ARG 176.A N ALA 172.A O no hydrogen 2.860 N/A PHE 177.A N SER 173.A O no hydrogen 2.930 N/A ILE 178.A N ILE 174.A O no hydrogen 2.946 N/A LEU 179.A N PHE 175.A O no hydrogen 2.897 N/A PHE 180.A N ARG 176.A O no hydrogen 2.827 N/A PHE 181.A N PHE 177.A O no hydrogen 2.976 N/A GLN 182.A N ILE 178.A O no hydrogen 2.943 N/A GLN 182.A NE2 ASN 186.A OD1 no hydrogen 3.259 N/A GLN 182.A NE2 ASN 318.A OD1 no hydrogen 2.288 N/A GLY 183.A N LEU 179.A O no hydrogen 2.911 N/A PHE 184.A N PHE 180.A O no hydrogen 2.880 N/A HIS 185.A N PHE 181.A O no hydrogen 3.009 N/A HIS 185.A NE2 TYR 156.A OH no hydrogen 3.001 N/A ASN 186.A N GLN 182.A O no hydrogen 3.279 N/A ASN 186.A ND2 TYR 292.A O no hydrogen 3.541 N/A TRP 187.A N PHE 181.A O no hydrogen 3.209 N/A THR 188.A OG1 GLN 182.A OE1 no hydrogen 3.160 N/A LEU 189.A N ASN 186.A O no hydrogen 2.919 N/A PHE 192.A N ASN 190.A OD1 no hydrogen 2.864 N/A MET 194.A N ASN 190.A O no hydrogen 2.984 N/A MET 195.A N PRO 191.A O no hydrogen 2.890 N/A GLY 196.A N PHE 192.A O no hydrogen 2.965 N/A VAL 197.A N HIS 193.A O no hydrogen 2.872 N/A ALA 198.A N MET 194.A O no hydrogen 2.905 N/A GLY 199.A N MET 195.A O no hydrogen 2.919 N/A VAL 200.A N GLY 196.A O no hydrogen 2.978 N/A LEU 201.A N VAL 197.A O no hydrogen 2.895 N/A GLY 202.A N ALA 198.A O no hydrogen 2.874 N/A ALA 203.A N GLY 199.A O no hydrogen 2.884 N/A ALA 204.A N VAL 200.A O no hydrogen 2.916 N/A LEU 205.A N LEU 201.A O no hydrogen 2.918 N/A LEU 206.A N GLY 202.A O no hydrogen 2.827 N/A CYS 207.A N ALA 203.A O no hydrogen 2.867 N/A ALA 208.A N ALA 204.A O no hydrogen 2.998 N/A ILE 209.A N LEU 205.A O no hydrogen 2.826 N/A HIS 210.A N LEU 206.A O no hydrogen 2.872 N/A GLY 211.A N CYS 207.A O no hydrogen 3.058 N/A ALA 212.A N ALA 208.A O no hydrogen 2.964 N/A THR 213.A N ILE 209.A O no hydrogen 2.897 N/A THR 213.A OG1 ILE 209.A O no hydrogen 2.667 N/A VAL 214.A N HIS 210.A O no hydrogen 2.960 N/A GLU 215.A N GLY 211.A O no hydrogen 3.014 N/A ASN 216.A N ALA 212.A O no hydrogen 2.896 N/A ASN 216.A N THR 213.A O no hydrogen 3.269 N/A ASN 216.A ND2 GLU 215.A O no hydrogen 2.938 N/A THR 217.A N VAL 214.A O no hydrogen 3.375 N/A THR 217.A OG1 THR 213.A O no hydrogen 2.766 N/A THR 217.A OG1 VAL 214.A O no hydrogen 3.410 N/A PHE 219.A N THR 239.A O no hydrogen 2.715 N/A PHE 228.A N ASN 226.A OD1 no hydrogen 3.443 N/A ALA 230.A N THR 227.A O no hydrogen 2.949 N/A SER 241.A N THR 217.A O no hydrogen 2.798 N/A SER 241.A OG THR 244.A OG1 no hydrogen 2.758 N/A THR 244.A N SER 241.A OG no hydrogen 3.006 N/A THR 244.A OG1 SER 241.A OG no hydrogen 2.758 N/A ALA 245.A N SER 241.A O no hydrogen 2.947 N/A ASN 246.A N MET 242.A O no hydrogen 2.892 N/A ARG 247.A N VAL 243.A O no hydrogen 2.940 N/A PHE 248.A N THR 244.A O no hydrogen 2.920 N/A TRP 249.A N ALA 245.A O no hydrogen 2.967 N/A TRP 249.A NE1 THR 213.A OG1 no hydrogen 2.537 N/A SER 250.A N ASN 246.A O no hydrogen 2.869 N/A SER 250.A OG ASN 246.A O no hydrogen 2.300 N/A GLN 251.A N ARG 247.A O no hydrogen 3.005 N/A ILE 252.A N PHE 248.A O no hydrogen 2.912 N/A PHE 253.A N TRP 249.A O no hydrogen 2.887 N/A GLY 254.A N SER 250.A O no hydrogen 3.036 N/A LEU 263.A N ASN 259.A O no hydrogen 2.901 N/A HIS 264.A N LYS 260.A O no hydrogen 2.916 N/A HIS 264.A ND1 LYS 260.A O no hydrogen 2.508 N/A PHE 265.A N ARG 261.A O no hydrogen 2.954 N/A PHE 266.A N TRP 262.A O no hydrogen 2.854 N/A MET 267.A N LEU 263.A O no hydrogen 2.936 N/A LEU 268.A N HIS 264.A O no hydrogen 2.986 N/A PHE 269.A N PHE 265.A O no hydrogen 2.784 N/A VAL 270.A N PHE 266.A O no hydrogen 2.977 N/A VAL 272.A N LEU 268.A O no hydrogen 3.427 N/A THR 273.A N PHE 269.A O no hydrogen 3.037 N/A THR 273.A OG1 PHE 269.A O no hydrogen 2.637 N/A GLY 274.A N VAL 270.A O no hydrogen 2.992 N/A LEU 275.A N PRO 271.A O no hydrogen 2.902 N/A TRP 276.A N VAL 272.A O no hydrogen 2.920 N/A TRP 276.A NE1 SER 143.A OG no hydrogen 2.981 N/A MET 277.A N THR 273.A O no hydrogen 2.961 N/A SER 278.A N GLY 274.A O no hydrogen 2.964 N/A ALA 279.A N LEU 275.A O no hydrogen 2.892 N/A LEU 280.A N TRP 276.A O no hydrogen 2.951 N/A GLY 281.A N MET 277.A O no hydrogen 2.989 N/A VAL 282.A N SER 278.A O no hydrogen 2.978 N/A VAL 283.A N ALA 279.A O no hydrogen 2.933 N/A GLY 284.A N LEU 280.A O no hydrogen 2.954 N/A LEU 285.A N GLY 281.A O no hydrogen 2.918 N/A ALA 286.A N VAL 282.A O no hydrogen 2.902 N/A ALA 286.A N VAL 283.A O no hydrogen 3.269 N/A LEU 287.A N GLY 284.A O no hydrogen 3.426 N/A ASN 288.A N LEU 285.A O no hydrogen 2.906 N/A LEU 289.A N GLY 284.A O no hydrogen 3.026 N/A ARG 290.A NE ASN 288.A O no hydrogen 3.520 N/A ARG 290.A NH1 PHE 184.A O no hydrogen 2.671 N/A PHE 294.A N TYR 311.A OH no hydrogen 3.166 N/A GLU 298.A N PHE 294.A O no hydrogen 2.944 N/A ILE 299.A N VAL 295.A O no hydrogen 2.860 N/A ARG 300.A N SER 296.A O no hydrogen 2.930 N/A ALA 301.A N GLN 297.A O no hydrogen 2.914 N/A ALA 302.A N GLU 298.A O no hydrogen 2.949 N/A GLU 303.A N ILE 299.A O no hydrogen 2.913 N/A GLU 306.A N ASP 304.A OD1 no hydrogen 3.343 N/A PHE 307.A N ASP 304.A O no hydrogen 3.315 N/A THR 309.A N THR 312.A OG1 no hydrogen 2.875 N/A THR 309.A OG1 GLN 297.A OE1 no hydrogen 2.453 N/A TYR 311.A OH TYR 292.A O no hydrogen 3.060 N/A THR 312.A N THR 309.A OG1 no hydrogen 3.285 N/A THR 312.A OG1 THR 309.A O no hydrogen 2.753 N/A LYS 313.A N THR 309.A O no hydrogen 2.962 N/A ASN 314.A N PHE 310.A O no hydrogen 2.883 N/A ILE 315.A N TYR 311.A O no hydrogen 2.959 N/A LEU 316.A N THR 312.A O no hydrogen 2.996 N/A LEU 317.A N LYS 313.A O no hydrogen 2.912 N/A ASN 318.A N ASN 314.A O no hydrogen 2.858 N/A ASN 318.A ND2 ASN 186.A OD1 no hydrogen 2.324 N/A GLU 319.A N ILE 315.A O no hydrogen 2.982 N/A GLY 320.A N LEU 316.A O no hydrogen 2.956 N/A ILE 321.A N LEU 317.A O no hydrogen 2.935 N/A ARG 322.A N ASN 318.A O no hydrogen 2.937 N/A ARG 322.A NH1 GLY 183.A O no hydrogen 3.127 N/A ALA 323.A N GLU 319.A O no hydrogen 2.999 N/A TRP 324.A N GLY 320.A O no hydrogen 2.979 N/A TRP 324.A NE1 PRO 343.A O no hydrogen 3.098 N/A MET 325.A N ARG 322.A O no hydrogen 3.343 N/A ALA 326.A N ARG 322.A O no hydrogen 2.957 N/A ASP 329.A N MET 325.A O no hydrogen 2.895 N/A GLN 330.A N ALA 326.A O no hydrogen 2.917 N/A GLU 333.A N GLN 330.A O no hydrogen 3.214 N/A LYS 334.A N PRO 331.A O no hydrogen 3.232 N/A LYS 334.A NZ HIS 332.A O no hydrogen 3.505 N/A THR 336.A OG1 LYS 334.A O no hydrogen 3.138 N/A VAL 341.A N PRO 338.A O no hydrogen 3.314 N/A