Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3toy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 41.A OD1 no hydrogen 2.943 N/A ILE 5.A N LYS 75.A O no hydrogen 2.938 N/A THR 6.A N THR 39.A O no hydrogen 2.802 N/A THR 6.A OG1 THR 39.A OG1 no hydrogen 2.687 N/A GLY 7.A N THR 39.A O no hydrogen 3.378 N/A THR 9.A N ASP 37.A O no hydrogen 3.017 N/A ALA 10.A N GLU 66.A OE2 no hydrogen 2.902 N/A ARG 11.A N LEU 35.A O no hydrogen 2.888 N/A ARG 11.A NH1 GLU 350.A OE1 no hydrogen 2.854 N/A ARG 11.A NH2 GLU 350.A OE1 no hydrogen 3.525 N/A ARG 11.A NH2 GLU 350.A OE2 no hydrogen 3.021 N/A VAL 13.A N LEU 33.A O no hydrogen 2.958 N/A ILE 14.A N TYR 356.A O no hydrogen 2.974 N/A THR 15.A N GLY 31.A O no hydrogen 2.903 N/A THR 15.A OG1 GLY 31.A O no hydrogen 3.278 N/A THR 15.A OG1 PHE 321.A O no hydrogen 2.889 N/A LEU 21.A N ILE 28.A O no hydrogen 2.862 N/A ARG 22.A NH1.A GLY 26.A O no hydrogen 3.177 N/A ASN 23.A N GLY 26.A O no hydrogen 2.812 N/A PHE 25.A N ASN 23.A OD1 no hydrogen 2.659 N/A GLY 26.A N ASN 23.A O no hydrogen 3.459 N/A ILE 28.A N LEU 21.A O no hydrogen 2.987 N/A GLY 31.A N THR 15.A O no hydrogen 2.822 N/A LEU 33.A N VAL 13.A O no hydrogen 2.827 N/A VAL 34.A N LEU 50.A O no hydrogen 2.863 N/A LEU 35.A N ARG 11.A O no hydrogen 2.724 N/A ILE 36.A N SER 48.A O no hydrogen 2.828 N/A ASP 37.A N THR 9.A O no hydrogen 2.942 N/A VAL 38.A N GLY 46.A O no hydrogen 2.758 N/A THR 39.A N GLY 7.A O no hydrogen 2.813 N/A THR 39.A OG1 THR 6.A OG1 no hydrogen 2.687 N/A THR 39.A OG1 GLY 7.A O no hydrogen 3.161 N/A THR 40.A N VAL 44.A O no hydrogen 3.137 N/A THR 40.A OG1 VAL 44.A O no hydrogen 2.751 N/A ASP 41.A N ALA 4.A O no hydrogen 3.015 N/A GLN 42.A N THR 40.A OG1 no hydrogen 3.194 N/A GLN 42.A NE2 THR 1.A O no hydrogen 3.186 N/A GLY 46.A N VAL 38.A O no hydrogen 2.853 N/A HIS 47.A N ASP 112.A OD2 no hydrogen 2.700 N/A HIS 47.A ND1 ASP 37.A OD1 no hydrogen 2.630 N/A SER 48.A N ILE 36.A O no hydrogen 3.137 N/A SER 48.A OG GLY 105.A O no hydrogen 2.694 N/A TYR 49.A OH GLU 301.A OE1 no hydrogen 2.633 N/A LEU 50.A N VAL 34.A O no hydrogen 2.898 N/A ALA 52.A N PRO 32.A O no hydrogen 2.802 N/A THR 54.A N ALA 52.A O no hydrogen 2.712 N/A ALA 57.A N THR 54.A O no hydrogen 3.015 N/A LEU 58.A N ARG 55.A O no hydrogen 2.996 N/A LYS 59.A NZ THR 359.A O no hydrogen 3.553 N/A LYS 59.A NZ THR 359.A OXT no hydrogen 3.437 N/A LEU 61.A N ALA 57.A O no hydrogen 3.022 N/A VAL 62.A N LEU 58.A O no hydrogen 2.884 N/A HIS 63.A N LYS 59.A O no hydrogen 3.013 N/A LEU 64.A N PRO 60.A O no hydrogen 2.884 N/A VAL 65.A N LEU 61.A O no hydrogen 2.953 N/A GLU 66.A N VAL 62.A O no hydrogen 3.012 N/A ASP 67.A N HIS 63.A O no hydrogen 2.760 N/A ILE 68.A N LEU 64.A O no hydrogen 2.833 N/A GLY 69.A N VAL 65.A O no hydrogen 2.777 N/A ARG 70.A N GLU 66.A O no hydrogen 2.817 N/A GLU 71.A N ASP 67.A O no hydrogen 3.424 N/A LEU 72.A N GLY 69.A O no hydrogen 2.857 N/A ALA 73.A N ARG 70.A O no hydrogen 3.332 N/A GLY 74.A N ILE 5.A O no hydrogen 2.779 N/A LYS 75.A N LEU 72.A O no hydrogen 3.065 N/A LEU 77.A N ALA 3.A O no hydrogen 2.852 N/A LEU 82.A N VAL 78.A O no hydrogen 2.888 N/A MET 83.A N PRO 79.A O no hydrogen 2.867 N/A LYS 84.A N VAL 80.A O no hydrogen 3.071 N/A ALA 85.A N ASP 81.A O no hydrogen 3.074 N/A MET 86.A N LEU 82.A O no hydrogen 2.931 N/A ASP 87.A N MET 83.A O no hydrogen 2.855 N/A ALA 88.A N LYS 84.A O no hydrogen 3.107 N/A LYS 89.A N ALA 85.A O no hydrogen 3.000 N/A LYS 89.A NZ GLU 71.A OE1 no hydrogen 2.464 N/A LYS 89.A NZ GLU 71.A OE2 no hydrogen 2.795 N/A PHE 90.A N MET 86.A O no hydrogen 3.186 N/A ARG 91.A N ALA 88.A O no hydrogen 3.444 N/A ARG 91.A NE ASP 87.A OD1 no hydrogen 2.853 N/A ARG 91.A NH2 ASP 87.A OD1 no hydrogen 2.764 N/A GLY 94.A N PHE 90.A O no hydrogen 2.769 N/A MET 101.A N GLY 97.A O no hydrogen 3.148 N/A ALA 102.A N LEU 98.A O no hydrogen 3.032 N/A VAL 103.A N VAL 99.A O no hydrogen 2.931 N/A SER 104.A N GLY 100.A O no hydrogen 2.880 N/A SER 104.A OG GLY 100.A O no hydrogen 2.864 N/A SER 104.A OG MET 272.A O no hydrogen 3.057 N/A GLY 105.A N MET 101.A O no hydrogen 2.813 N/A LEU 106.A N ALA 102.A O no hydrogen 2.948 N/A ASP 107.A N VAL 103.A O no hydrogen 3.011 N/A MET 108.A N SER 104.A O no hydrogen 3.079 N/A ALA 109.A N GLY 105.A O no hydrogen 3.159 N/A PHE 110.A N LEU 106.A O no hydrogen 2.863 N/A TRP 111.A N ASP 107.A O no hydrogen 3.147 N/A TRP 111.A NE1 THR 278.A OG1 no hydrogen 2.938 N/A ASP 112.A N MET 108.A O no hydrogen 2.901 N/A ALA 113.A N ALA 109.A O no hydrogen 2.982 N/A LEU 114.A N PHE 110.A O no hydrogen 3.019 N/A GLY 115.A N TRP 111.A O no hydrogen 2.926 N/A GLN 116.A N ASP 112.A O no hydrogen 2.899 N/A GLN 116.A NE2 THR 45.A O no hydrogen 2.816 N/A GLN 116.A NE2 ASP 112.A OD2 no hydrogen 2.740 N/A LEU 117.A N ALA 113.A O no hydrogen 2.810 N/A ALA 118.A N LEU 114.A O no hydrogen 3.012 N/A GLY 119.A N GLN 116.A O no hydrogen 2.974 N/A LYS 120.A N GLY 115.A O no hydrogen 2.944 N/A VAL 122.A N GLY 343.A O no hydrogen 2.909 N/A VAL 123.A N HIS 305.A ND1 no hydrogen 3.101 N/A LEU 125.A N PRO 121.A O no hydrogen 3.392 N/A LEU 126.A N VAL 122.A O no hydrogen 3.045 N/A LEU 126.A N VAL 123.A O no hydrogen 3.178 N/A GLY 127.A N GLU 124.A O no hydrogen 3.118 N/A GLY 128.A N VAL 123.A O no hydrogen 3.113 N/A ARG 131.A NH2 PRO 308.A O no hydrogen 3.051 N/A ILE 133.A N VAL 337.A O no hydrogen 2.827 N/A ALA 135.A N GLY 335.A O no hydrogen 2.985 N/A TYR 136.A N LEU 316.A O no hydrogen 3.086 N/A ASP 137.A N ALA 162.A O no hydrogen 3.094 N/A SER 138.A N VAL 318.A O no hydrogen 3.112 N/A SER 138.A OG GLU 317.A OE2 no hydrogen 2.659 N/A TYR 139.A N LYS 164.A O no hydrogen 2.909 N/A TYR 139.A OH ASP 137.A OD2 no hydrogen 2.581 N/A VAL 141.A N ARG 22.A O no hydrogen 2.947 N/A LEU 142.A N SER 165.A OG no hydrogen 3.090 N/A ASP 143.A N ASP 147.A OD2 no hydrogen 2.898 N/A ASP 146.A N ASP 143.A OD2 no hydrogen 3.025 N/A ASP 147.A N ASP 143.A O no hydrogen 2.780 N/A GLU 148.A N ARG 145.A O no hydrogen 3.520 N/A LEU 151.A N ASP 147.A O no hydrogen 3.080 N/A ARG 152.A N GLU 148.A O no hydrogen 2.843 N/A THR 153.A N ARG 149.A O no hydrogen 3.014 N/A THR 153.A OG1 ARG 149.A O no hydrogen 2.995 N/A ALA 154.A N THR 150.A O no hydrogen 2.946 N/A CYS 155.A N LEU 151.A O no hydrogen 2.909 N/A CYS 155.A SG LEU 151.A O no hydrogen 3.547 N/A CYS 155.A SG PHE 160.A O no hydrogen 3.705 N/A ASP 156.A N ARG 152.A O no hydrogen 2.725 N/A GLU 157.A N THR 153.A O no hydrogen 2.975 N/A HIS 158.A N THR 153.A O no hydrogen 3.215 N/A PHE 160.A N ALA 154.A O no hydrogen 3.173 N/A ARG 161.A NE PHE 160.A O no hydrogen 3.071 N/A ILE 163.A N ALA 191.A O no hydrogen 2.799 N/A LYS 164.A N ASP 137.A O no hydrogen 2.965 N/A LYS 164.A NZ TYR 136.A OH no hydrogen 2.960 N/A LYS 164.A NZ GLU 221.A OE1 no hydrogen 2.781 N/A LYS 164.A NZ GLU 221.A OE2 no hydrogen 2.813 N/A LYS 164.A NZ GLU 317.A OE2 no hydrogen 3.040 N/A SER 165.A N MET 193.A O no hydrogen 3.056 N/A SER 165.A OG GLY 140.A O no hydrogen 2.778 N/A LYS 166.A N SER 165.A OG no hydrogen 2.789 N/A LYS 166.A NZ ASP 195.A OD2 no hydrogen 2.901 N/A LYS 166.A NZ ASN 197.A OD1 no hydrogen 3.361 N/A GLY 167.A N ASP 195.A O no hydrogen 2.766 N/A GLY 168.A N ASP 175.A OD1 no hydrogen 3.048 N/A THR 174.A N ASP 171.A OD1 no hydrogen 2.971 N/A THR 174.A OG1 ASP 171.A OD1 no hydrogen 2.964 N/A ASP 175.A N ASP 171.A O no hydrogen 3.349 N/A GLU 176.A N LEU 172.A O no hydrogen 2.804 N/A ALA 177.A N ALA 173.A O no hydrogen 2.822 N/A MET 178.A N THR 174.A O no hydrogen 3.050 N/A ILE 179.A N ASP 175.A O no hydrogen 3.008 N/A LYS 180.A N GLU 176.A O no hydrogen 2.849 N/A GLY 181.A N ALA 177.A O no hydrogen 2.969 N/A LEU 182.A N MET 178.A O no hydrogen 2.916 N/A ARG 183.A N ILE 179.A O no hydrogen 2.836 N/A ARG 183.A NE TYR 215.A O no hydrogen 2.934 N/A ARG 183.A NH1 GLY 187.A O no hydrogen 2.904 N/A ARG 183.A NH1 ILE 190.A O no hydrogen 2.657 N/A ARG 183.A NH2 ILE 190.A O no hydrogen 3.548 N/A ARG 183.A NH2 TYR 215.A O no hydrogen 3.209 N/A ARG 183.A NH2 ASP 216.A O no hydrogen 2.902 N/A ALA 184.A N LYS 180.A O no hydrogen 3.006 N/A LEU 185.A N GLY 181.A O no hydrogen 2.991 N/A LEU 186.A N LEU 182.A O no hydrogen 2.898 N/A GLY 187.A N ARG 183.A O no hydrogen 3.025 N/A ALA 191.A N ARG 161.A O no hydrogen 2.889 N/A MET 193.A N ILE 163.A O no hydrogen 2.907 N/A LEU 194.A N TRP 219.A O no hydrogen 3.148 N/A ASP 195.A N SER 165.A O no hydrogen 2.858 N/A PHE 196.A N GLU 221.A O no hydrogen 3.001 N/A ASN 197.A N ASP 195.A OD1 no hydrogen 2.815 N/A GLN 198.A N GLU 222.A O no hydrogen 2.681 N/A SER 199.A N PHE 196.A O no hydrogen 3.074 N/A SER 199.A OG PHE 196.A O no hydrogen 2.612 N/A LEU 200.A N PRO 223.A O no hydrogen 3.082 N/A GLU 204.A N ASP 201.A OD1 no hydrogen 2.871 N/A ALA 205.A N ASP 201.A O no hydrogen 2.853 N/A THR 206.A N PRO 202.A O no hydrogen 2.934 N/A THR 206.A OG1 PRO 202.A O no hydrogen 3.323 N/A ARG 207.A N ALA 203.A O no hydrogen 3.043 N/A ARG 207.A NE GLU 204.A OE1 no hydrogen 2.993 N/A ARG 207.A NH2 GLU 204.A OE2 no hydrogen 2.707 N/A ARG 208.A N GLU 204.A O no hydrogen 2.861 N/A ARG 208.A NE GLU 204.A OE2 no hydrogen 2.817 N/A ARG 208.A NH1 GLY 170.A O no hydrogen 3.106 N/A ARG 208.A NH1 ASP 175.A OD2 no hydrogen 2.737 N/A ARG 208.A NH2 GLY 170.A O no hydrogen 3.208 N/A ARG 208.A NH2 GLU 204.A OE2 no hydrogen 3.558 N/A ILE 209.A N ALA 205.A O no hydrogen 2.876 N/A ALA 210.A N THR 206.A O no hydrogen 3.192 N/A ARG 211.A N ARG 208.A O no hydrogen 3.080 N/A LEU 212.A N ARG 208.A O no hydrogen 3.052 N/A LEU 212.A N ILE 209.A O no hydrogen 3.068 N/A TYR 215.A N LEU 212.A O no hydrogen 3.199 N/A TYR 215.A OH GLU 176.A OE2 no hydrogen 2.799 N/A THR 218.A N LEU 192.A O no hydrogen 2.892 N/A TRP 219.A NE1 GLU 221.A OE1 no hydrogen 2.841 N/A ILE 220.A N PRO 242.A O no hydrogen 2.877 N/A GLU 221.A N LEU 194.A O no hydrogen 2.834 N/A GLU 222.A N GLN 244.A O no hydrogen 2.850 N/A GLN 226.A N GLN 198.A OE1 no hydrogen 2.842 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.831 N/A ASN 228.A N PRO 225.A O no hydrogen 2.905 N/A LEU 229.A N GLU 227.A O no hydrogen 3.050 N/A GLY 231.A N ASN 228.A OD1 no hydrogen 2.856 N/A HIS 232.A N ASN 228.A O no hydrogen 2.993 N/A HIS 232.A ND1 ASN 228.A O no hydrogen 2.986 N/A ALA 233.A N LEU 229.A O no hydrogen 2.889 N/A ALA 234.A N SER 230.A O no hydrogen 2.967 N/A VAL 235.A N GLY 231.A O no hydrogen 2.984 N/A ARG 236.A N HIS 232.A O no hydrogen 2.768 N/A ARG 236.A NE ASP 265.A OD1 no hydrogen 2.843 N/A ARG 236.A NH1 GLY 262.A O no hydrogen 3.041 N/A GLU 237.A N ALA 233.A O no hydrogen 2.887 N/A ARG 238.A N VAL 235.A O no hydrogen 3.088 N/A SER 239.A N ARG 236.A O no hydrogen 3.251 N/A SER 239.A OG ILE 241.A O no hydrogen 2.554 N/A ILE 241.A N SER 239.A OG no hydrogen 2.901 N/A ILE 243.A N ASP 265.A OD2 no hydrogen 2.817 N/A GLN 244.A N ILE 220.A O no hydrogen 2.820 N/A ALA 245.A N GLN 244.A OE1 no hydrogen 3.126 N/A ASN 248.A ND2 GLU 222.A OE2 no hydrogen 2.976 N/A TRP 249.A N GLY 246.A O no hydrogen 3.252 N/A TRP 249.A NE1 GLN 226.A O no hydrogen 2.828 N/A PHE 251.A N LYS 273.A O no hydrogen 2.830 N/A GLY 254.A N TRP 250.A O no hydrogen 2.993 N/A PHE 255.A N PHE 251.A O no hydrogen 3.278 N/A ALA 256.A N PRO 252.A O no hydrogen 2.874 N/A GLU 257.A N ARG 253.A O no hydrogen 2.966 N/A ALA 258.A N GLY 254.A O no hydrogen 3.178 N/A ILE 259.A N PHE 255.A O no hydrogen 2.896 N/A ALA 260.A N ALA 256.A O no hydrogen 2.911 N/A ALA 261.A N GLU 257.A O no hydrogen 2.900 N/A GLY 262.A N ILE 259.A O no hydrogen 2.984 N/A ALA 263.A N ALA 258.A O no hydrogen 3.002 N/A SER 264.A OG PHE 266.A O no hydrogen 2.705 N/A ASP 265.A N ILE 243.A O no hydrogen 2.890 N/A PHE 266.A N ILE 243.A O no hydrogen 3.009 N/A ILE 267.A N PRO 293.A O no hydrogen 3.113 N/A MET 268.A N ALA 245.A O no hydrogen 2.947 N/A MET 272.A N ASP 270.A OD1 no hydrogen 2.696 N/A LYS 273.A N ASP 270.A O no hydrogen 2.867 N/A LYS 273.A NZ ASN 248.A OD1 no hydrogen 2.827 N/A VAL 274.A N ASP 270.A O no hydrogen 2.841 N/A GLY 276.A N LEU 271.A O no hydrogen 3.010 N/A THR 278.A N ASP 107.A OD2 no hydrogen 2.998 N/A THR 278.A OG1 ASP 107.A OD1 no hydrogen 2.587 N/A THR 278.A OG1 ASP 107.A OD2 no hydrogen 3.398 N/A GLY 279.A N GLY 275.A O no hydrogen 2.886 N/A TRP 280.A N GLY 276.A O no hydrogen 2.933 N/A TRP 280.A NE1 THR 310.A OG1 no hydrogen 2.871 N/A LEU 281.A N ILE 277.A O no hydrogen 3.050 N/A VAL 283.A N GLY 279.A O no hydrogen 3.065 N/A ALA 284.A N TRP 280.A O no hydrogen 2.794 N/A GLY 285.A N LEU 281.A O no hydrogen 3.382 N/A GLY 285.A N ASN 282.A O no hydrogen 3.036 N/A GLN 286.A N ASN 282.A O no hydrogen 3.244 N/A GLN 286.A NE2 PRO 252.A O no hydrogen 3.095 N/A GLN 286.A NE2 ASN 282.A OD1.A no hydrogen 3.082 N/A ALA 287.A N VAL 283.A O no hydrogen 2.832 N/A ASP 288.A N ALA 284.A O no hydrogen 3.065 N/A ALA 289.A N GLY 285.A O no hydrogen 3.018 N/A ALA 290.A N GLN 286.A O no hydrogen 2.948 N/A SER 291.A N ASP 288.A O no hydrogen 3.132 N/A ILE 292.A N ALA 287.A O no hydrogen 2.911 N/A MET 294.A N THR 312.A O no hydrogen 2.951 N/A SER 295.A N ILE 267.A O no hydrogen 2.838 N/A SER 296.A N PHE 315.A O no hydrogen 3.151 N/A HIS 297.A N PRO 269.A O no hydrogen 2.969 N/A HIS 297.A ND1 ASP 270.A OD2 no hydrogen 2.777 N/A ILE 298.A N GLU 317.A OE1 no hydrogen 2.880 N/A SER 303.A N LEU 299.A O no hydrogen 2.944 N/A SER 303.A OG ILE 298.A O no hydrogen 3.153 N/A SER 303.A OG LEU 299.A O no hydrogen 2.801 N/A ALA 304.A N PRO 300.A O no hydrogen 3.112 N/A HIS 305.A N ALA 302.A O no hydrogen 2.942 N/A HIS 305.A NE2 LYS 340.A O no hydrogen 2.790 N/A VAL 306.A N SER 303.A O no hydrogen 3.129 N/A LEU 307.A N SER 303.A O no hydrogen 3.047 N/A VAL 309.A N VAL 306.A O no hydrogen 3.061 N/A THR 310.A N LEU 307.A O no hydrogen 3.083 N/A THR 310.A OG1 VAL 306.A O no hydrogen 2.753 N/A THR 312.A OG1 ILE 292.A O no hydrogen 2.602 N/A ALA 313.A N THR 310.A O no hydrogen 3.011 N/A HIS 314.A N MET 294.A O no hydrogen 2.921 N/A PHE 315.A N SER 295.A OG no hydrogen 2.949 N/A LEU 316.A N PRO 134.A O no hydrogen 2.846 N/A GLU 317.A N SER 296.A OG no hydrogen 3.383 N/A VAL 318.A N TYR 136.A O no hydrogen 2.896 N/A ILE 325.A N ALA 322.A O no hydrogen 2.948 N/A LEU 326.A N GLY 323.A O no hydrogen 3.208 N/A THR 327.A N ALA 347.A O no hydrogen 2.798 N/A THR 327.A OG1 ALA 347.A O no hydrogen 3.433 N/A ILE 333.A N LYS 336.A O no hydrogen 3.001 N/A GLY 335.A N HIS 158.A O no hydrogen 2.787 N/A LYS 336.A N ILE 333.A O no hydrogen 3.064 N/A VAL 337.A N ILE 133.A O no hydrogen 2.923 N/A GLY 343.A N LYS 120.A O no hydrogen 2.898 N/A LEU 344.A N ASP 112.A OD1 no hydrogen 2.754 N/A GLY 345.A N PRO 342.A O no hydrogen 3.057 N/A TRP 348.A NE1 ASP 37.A OD1 no hydrogen 2.590 N/A ASN 349.A N ILE 325.A O no hydrogen 3.011 N/A SER 351.A OG ASN 349.A OD1 no hydrogen 3.178 N/A ALA 352.A N ASN 349.A OD1 no hydrogen 3.376 N/A VAL 353.A N ASN 349.A O no hydrogen 2.965 N/A ALA 354.A N GLU 350.A O no hydrogen 2.833 N/A LYS 355.A N SER 351.A O no hydrogen 3.101 N/A TYR 356.A N ALA 352.A O no hydrogen 2.932 N/A GLN 357.A N VAL 353.A O no hydrogen 2.764 N/A VAL 358.A N ALA 12.A O no hydrogen 2.957 N/A