Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1siu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ALA 257.A O no hydrogen 2.893 N/A TYR 3.A N GLY 259.A O no hydrogen 2.706 N/A TYR 3.A OH LEU 192.A O no hydrogen 2.862 N/A THR 4.A N ASP 7.A OD2 no hydrogen 2.580 N/A THR 4.A OG1 ASP 7.A OD2 no hydrogen 3.159 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.219 N/A VAL 8.A N THR 4.A O no hydrogen 3.286 N/A ALA 9.A N PRO 5.A O no hydrogen 3.086 N/A GLN 10.A N LEU 6.A O no hydrogen 2.924 N/A ALA 11.A N ASP 7.A O no hydrogen 2.859 N/A TYR 12.A N VAL 8.A O no hydrogen 2.799 N/A TYR 12.A OH GLU 202.A OE2 no hydrogen 2.439 N/A GLN 13.A N GLN 10.A O no hydrogen 3.140 N/A PHE 14.A N ALA 9.A O no hydrogen 2.962 N/A GLY 20.A N GLN 290.A OE1 no hydrogen 2.500 N/A GLN 21.A N ASP 19.A OD1 no hydrogen 2.899 N/A GLN 23.A N GLY 20.A O no hydrogen 3.022 N/A CYS 24.A SG LYS 91.A O no hydrogen 3.442 N/A ILE 25.A N LYS 91.A O no hydrogen 2.884 N/A ALA 26.A N VAL 121.A O no hydrogen 2.899 N/A ILE 27.A N ALA 93.A O no hydrogen 2.502 N/A ILE 28.A N SER 123.A O no hydrogen 3.333 N/A GLU 29.A N TYR 95.A O no hydrogen 2.715 N/A TYR 34.A N ASN 63.A OD1 no hydrogen 2.522 N/A TYR 34.A OH SER 55.A OG no hydrogen 3.004 N/A SER 38.A N ASP 35.A OD1 no hydrogen 3.434 N/A LEU 39.A N ASP 35.A O no hydrogen 3.024 N/A ALA 40.A N GLU 36.A O no hydrogen 2.933 N/A GLN 41.A N SER 38.A O no hydrogen 3.015 N/A GLN 41.A NE2 SER 38.A O no hydrogen 2.496 N/A TYR 42.A N SER 38.A O no hydrogen 3.127 N/A TYR 42.A OH GLU 261.A O no hydrogen 2.996 N/A PHE 43.A N LEU 39.A O no hydrogen 3.130 N/A SER 45.A N GLN 41.A O no hydrogen 3.199 N/A SER 45.A OG TYR 42.A O no hydrogen 2.570 N/A LEU 46.A N TYR 42.A O no hydrogen 3.118 N/A GLY 47.A N ALA 44.A O no hydrogen 2.721 N/A VAL 48.A N PHE 43.A O no hydrogen 3.043 N/A VAL 54.A N PHE 92.A O no hydrogen 2.815 N/A SER 55.A OG TYR 34.A OH no hydrogen 3.004 N/A VAL 56.A N VAL 94.A O no hydrogen 2.710 N/A SER 57.A OG ALA 61.A O no hydrogen 2.428 N/A VAL 58.A N PHE 96.A O no hydrogen 2.740 N/A ALA 61.A N VAL 58.A O no hydrogen 2.761 N/A ASN 63.A ND2 TYR 34.A O no hydrogen 2.852 N/A GLN 64.A N GLY 32.A O no hydrogen 3.032 N/A THR 66.A N ASP 73.A OD1 no hydrogen 3.358 N/A THR 66.A OG1 ASP 73.A OD2 no hydrogen 3.392 N/A GLY 67.A N ASP 73.A OD2 no hydrogen 2.753 N/A ASP 68.A N THR 66.A OG1 no hydrogen 3.126 N/A SER 70.A N ASP 68.A OD1 no hydrogen 3.270 N/A GLY 71.A N ASP 68.A O no hydrogen 2.946 N/A GLY 74.A N GLY 71.A O no hydrogen 3.193 N/A HIS 75.A NE2 SER 125.A O no hydrogen 2.943 N/A HIS 75.A NE2 SER 125.A OG no hydrogen 2.497 N/A VAL 76.A N PRO 72.A O no hydrogen 2.973 N/A GLU 77.A N ASP 73.A O no hydrogen 3.026 N/A LEU 78.A N GLY 74.A O no hydrogen 3.138 N/A ASP 79.A N HIS 75.A O no hydrogen 3.291 N/A ASP 79.A N VAL 76.A O no hydrogen 3.261 N/A ILE 80.A N VAL 76.A O no hydrogen 3.275 N/A GLU 81.A N GLU 77.A O no hydrogen 2.914 N/A VAL 82.A N LEU 78.A O no hydrogen 3.077 N/A ALA 83.A N ASP 79.A O no hydrogen 3.242 N/A GLY 84.A N ILE 80.A O no hydrogen 2.661 N/A ALA 85.A N GLU 81.A O no hydrogen 3.044 N/A LEU 86.A N ALA 83.A O no hydrogen 3.223 N/A ALA 87.A N ALA 83.A O no hydrogen 2.864 N/A GLY 89.A N ASP 19.A O no hydrogen 2.637 N/A ALA 90.A N ALA 87.A O no hydrogen 3.464 N/A LYS 91.A N GLN 23.A O no hydrogen 3.029 N/A PHE 92.A N GLN 52.A O no hydrogen 2.791 N/A ALA 93.A N ILE 25.A O no hydrogen 3.081 N/A VAL 94.A N VAL 54.A O no hydrogen 2.816 N/A TYR 95.A N ILE 27.A O no hydrogen 2.811 N/A TYR 95.A OH ASP 114.A OD2 no hydrogen 2.742 N/A PHE 96.A N VAL 56.A O no hydrogen 3.109 N/A ALA 97.A N GLU 29.A O no hydrogen 2.972 N/A THR 100.A N PRO 98.A O no hydrogen 2.618 N/A GLY 103.A N THR 100.A OG1 no hydrogen 3.119 N/A PHE 104.A N THR 100.A O no hydrogen 2.648 N/A LEU 105.A N ASP 101.A O no hydrogen 2.944 N/A ASP 106.A N ALA 102.A O no hydrogen 2.738 N/A ALA 107.A N GLY 103.A O no hydrogen 2.864 N/A ILE 108.A N PHE 104.A O no hydrogen 3.052 N/A THR 109.A N LEU 105.A O no hydrogen 2.844 N/A THR 109.A OG1 ASP 106.A O no hydrogen 3.465 N/A THR 110.A N ASP 106.A O no hydrogen 2.921 N/A THR 110.A OG1 ASP 106.A O no hydrogen 2.296 N/A ALA 111.A N ALA 107.A O no hydrogen 3.060 N/A ILE 112.A N ILE 108.A O no hydrogen 3.113 N/A HIS 113.A N THR 109.A O no hydrogen 2.995 N/A HIS 113.A ND1 THR 109.A O no hydrogen 2.955 N/A ASP 114.A N ALA 111.A O no hydrogen 3.151 N/A THR 116.A N ASP 114.A OD1 no hydrogen 2.865 N/A LEU 117.A N ASP 114.A OD1 no hydrogen 2.795 N/A SER 120.A N CYS 24.A O no hydrogen 2.933 N/A SER 120.A OG GLN 23.A OE1 no hydrogen 2.660 N/A SER 120.A OG CYS 24.A O no hydrogen 3.428 N/A VAL 122.A N THR 154.A O no hydrogen 2.490 N/A SER 123.A N ALA 26.A O no hydrogen 3.094 N/A ILE 124.A N LEU 156.A O no hydrogen 2.821 N/A SER 125.A OG HIS 75.A NE2 no hydrogen 2.497 N/A SER 125.A OG ASP 79.A OD1 no hydrogen 3.307 N/A SER 125.A OG ASP 79.A OD2 no hydrogen 3.336 N/A TRP 126.A NE1 ILE 28.A O no hydrogen 3.052 N/A TRP 126.A NE1 GLU 29.A OE1 no hydrogen 3.173 N/A GLY 128.A N PHE 177.A O no hydrogen 3.105 N/A GLU 130.A N VAL 175.A O no hydrogen 2.812 N/A SER 132.A N PRO 129.A O no hydrogen 3.097 N/A SER 132.A OG PRO 129.A O no hydrogen 2.855 N/A TRP 133.A N GLU 130.A O no hydrogen 3.473 N/A TRP 133.A NE1 GLY 128.A O no hydrogen 3.045 N/A ALA 137.A N THR 134.A OG1 no hydrogen 2.933 N/A ILE 138.A N THR 134.A O no hydrogen 3.116 N/A ALA 139.A N SER 135.A O no hydrogen 2.697 N/A ALA 140.A N ALA 136.A O no hydrogen 2.827 N/A MET 141.A N ALA 137.A O no hydrogen 2.783 N/A ASN 142.A N ILE 138.A O no hydrogen 3.040 N/A ARG 143.A N ALA 139.A O no hydrogen 2.805 N/A ARG 143.A NH1 ARG 143.A O no hydrogen 3.154 N/A ALA 144.A N ALA 140.A O no hydrogen 2.836 N/A PHE 145.A N MET 141.A O no hydrogen 2.982 N/A LEU 146.A N ASN 142.A O no hydrogen 2.804 N/A ASP 147.A N ARG 143.A O no hydrogen 2.985 N/A ALA 148.A N ALA 144.A O no hydrogen 2.870 N/A ALA 149.A N PHE 145.A O no hydrogen 3.162 N/A ALA 150.A N LEU 146.A O no hydrogen 3.245 N/A LEU 151.A N ASP 147.A O no hydrogen 3.039 N/A GLY 152.A N ALA 149.A O no hydrogen 3.083 N/A VAL 153.A N ALA 148.A O no hydrogen 2.807 N/A THR 154.A N SER 120.A O no hydrogen 2.949 N/A THR 154.A OG1 GLY 297.A O no hydrogen 2.332 N/A LEU 156.A N VAL 122.A O no hydrogen 2.721 N/A ALA 157.A N LEU 185.A O no hydrogen 3.029 N/A ALA 158.A N ILE 124.A O no hydrogen 2.989 N/A ALA 159.A N CYS 187.A O no hydrogen 2.875 N/A GLY 160.A N THR 274.A OG1 no hydrogen 3.131 N/A GLY 163.A N ALA 213.A O no hydrogen 2.958 N/A SER 164.A N ASN 319.A O no hydrogen 2.672 N/A SER 164.A OG ASN 319.A O no hydrogen 2.977 N/A SER 164.A OG ILE 327.A O no hydrogen 2.483 N/A ASP 166.A N SER 162.A O no hydrogen 3.130 N/A ASP 166.A N GLY 163.A O no hydrogen 3.294 N/A GLU 168.A N THR 165.A O no hydrogen 3.094 N/A ASP 170.A N GLU 168.A O no hydrogen 3.110 N/A LEU 172.A N ASP 170.A OD1 no hydrogen 2.732 N/A TYR 173.A N ASN 238.A OD1 no hydrogen 2.607 N/A HIS 174.A N SER 164.A O no hydrogen 2.969 N/A HIS 174.A NE2 ASP 170.A OD1 no hydrogen 2.562 N/A PHE 177.A N GLY 128.A O no hydrogen 2.782 N/A ALA 180.A N ASP 176.A O no hydrogen 2.784 N/A SER 181.A N PRO 178.A O no hydrogen 3.203 N/A TYR 183.A N SER 181.A OG no hydrogen 3.299 N/A VAL 184.A N SER 181.A O no hydrogen 3.131 N/A LEU 185.A N VAL 155.A O no hydrogen 2.796 N/A ALA 186.A N ASP 249.A OD2 no hydrogen 2.807 N/A CYS 187.A N ALA 157.A O no hydrogen 3.016 N/A CYS 187.A SG LEU 185.A O no hydrogen 3.764 N/A GLY 188.A N LEU 250.A O no hydrogen 2.603 N/A GLY 189.A N THR 214.A OG1 no hydrogen 2.856 N/A THR 190.A N GLY 252.A O no hydrogen 2.950 N/A THR 190.A OG1 GLU 202.A OE2 no hydrogen 2.919 N/A ARG 191.A N THR 203.A O no hydrogen 2.611 N/A VAL 193.A N GLN 201.A O no hydrogen 2.516 N/A ALA 194.A N TYR 3.A OH no hydrogen 2.821 N/A SER 195.A N ARG 198.A O no hydrogen 3.014 N/A ARG 198.A N SER 195.A O no hydrogen 3.067 N/A ALA 200.A N VAL 193.A O no hydrogen 2.760 N/A GLN 201.A N VAL 193.A O no hydrogen 2.969 N/A THR 203.A N ARG 191.A O no hydrogen 3.066 N/A THR 203.A OG1 ARG 191.A O no hydrogen 3.568 N/A VAL 204.A N GLU 316.A O no hydrogen 3.102 N/A TRP 205.A N GLY 189.A O no hydrogen 3.092 N/A TRP 205.A NE1 ASP 207.A OD2 no hydrogen 2.740 N/A ASN 206.A ND2 ASN 318.A O no hydrogen 2.931 N/A ASN 206.A ND2 ASN 318.A OD1 no hydrogen 3.421 N/A ASN 206.A ND2 ASP 320.A O no hydrogen 3.012 N/A ASP 207.A N GLY 212.A O no hydrogen 2.922 N/A GLY 208.A N ASN 206.A OD1 no hydrogen 2.793 N/A GLY 211.A N GLY 208.A O no hydrogen 2.959 N/A GLY 212.A N GLY 208.A O no hydrogen 3.110 N/A ALA 213.A N ASP 161.A O no hydrogen 3.070 N/A THR 214.A N TRP 205.A O no hydrogen 2.972 N/A THR 214.A OG1 GLY 215.A O no hydrogen 2.998 N/A GLY 215.A N GLY 160.A O no hydrogen 2.803 N/A GLY 217.A N VAL 247.A O no hydrogen 2.789 N/A SER 219.A N ARG 245.A O no hydrogen 2.809 N/A SER 219.A OG GLU 130.A OE1 no hydrogen 3.221 N/A SER 219.A OG GLU 130.A OE2 no hydrogen 3.396 N/A SER 219.A OG PHE 222.A O no hydrogen 3.292 N/A ARG 220.A N GLU 130.A OE2 no hydrogen 3.130 N/A ILE 221.A N SER 219.A OG no hydrogen 2.828 N/A PHE 222.A N SER 219.A OG no hydrogen 2.621 N/A GLN 228.A N PRO 225.A O no hydrogen 3.011 N/A GLN 228.A NE2 GLY 246.A O no hydrogen 3.000 N/A GLN 228.A NE2 TYR 304.A OH no hydrogen 2.937 N/A GLU 229.A N ALA 226.A O no hydrogen 3.189 N/A ALA 231.A N GLN 228.A O no hydrogen 3.066 N/A SER 236.A N SER 242.A O no hydrogen 2.856 N/A ALA 237.A N TYR 328.A OH no hydrogen 2.919 N/A ASN 238.A N SER 236.A OG no hydrogen 3.023 N/A ASN 238.A ND2 TYR 173.A O no hydrogen 2.657 N/A ALA 241.A N ASN 238.A O no hydrogen 3.241 N/A ARG 245.A N PHE 222.A O no hydrogen 2.760 N/A ARG 245.A NE ALA 180.A O no hydrogen 3.054 N/A ARG 245.A NE SER 181.A O no hydrogen 3.358 N/A ARG 245.A NH1 GLY 246.A O no hydrogen 2.912 N/A ARG 245.A NH1 ASP 249.A OD1 no hydrogen 2.653 N/A ARG 245.A NH2 SER 181.A O no hydrogen 3.130 N/A ARG 245.A NH2 ASP 249.A OD1 no hydrogen 3.396 N/A ARG 245.A NH2 ASP 249.A OD2 no hydrogen 2.600 N/A GLY 246.A N GLN 228.A OE1 no hydrogen 2.822 N/A VAL 247.A N GLY 217.A O no hydrogen 2.841 N/A ASP 249.A N ALA 186.A O no hydrogen 2.729 N/A LEU 250.A N ALA 186.A O no hydrogen 2.984 N/A ALA 251.A N GLY 341.A O no hydrogen 3.057 N/A GLY 252.A N GLY 188.A O no hydrogen 3.295 N/A ASN 253.A N TYR 12.A OH no hydrogen 2.961 N/A ASN 253.A ND2 THR 258.A O no hydrogen 3.012 N/A ALA 254.A N THR 190.A O no hydrogen 2.848 N/A ASP 255.A N THR 190.A O no hydrogen 3.151 N/A ALA 257.A N ASP 255.A OD1 no hydrogen 2.956 N/A THR 258.A N ASP 255.A O no hydrogen 3.148 N/A THR 258.A OG1 ASN 253.A OD1 no hydrogen 2.975 N/A THR 258.A OG1 ASP 255.A O no hydrogen 3.372 N/A GLY 259.A N PRO 256.A O no hydrogen 2.884 N/A TYR 260.A N ILE 271.A O no hydrogen 2.723 N/A TYR 260.A OH ASN 253.A O no hydrogen 2.935 N/A GLU 261.A N TYR 3.A O no hydrogen 2.913 N/A VAL 262.A N THR 269.A O no hydrogen 2.797 N/A VAL 263.A N GLU 81.A OE1 no hydrogen 3.027 N/A ILE 264.A N GLU 267.A O no hydrogen 2.924 N/A ASP 265.A N GLU 77.A OE1 no hydrogen 2.968 N/A GLU 267.A N ILE 264.A O no hydrogen 3.026 N/A THR 269.A N VAL 262.A O no hydrogen 2.865 N/A ILE 271.A N TYR 260.A O no hydrogen 2.946 N/A GLY 273.A N ALA 254.A O no hydrogen 2.488 N/A THR 274.A N ASP 161.A OD1 no hydrogen 2.758 N/A THR 274.A OG1 ASP 161.A OD1 no hydrogen 2.590 N/A ALA 276.A N GLY 273.A O no hydrogen 3.325 N/A VAL 277.A N THR 274.A O no hydrogen 3.120 N/A LEU 280.A N ALA 276.A O no hydrogen 3.193 N/A PHE 281.A N VAL 277.A O no hydrogen 2.696 N/A ALA 282.A N ALA 278.A O no hydrogen 2.767 N/A ALA 283.A N PRO 279.A O no hydrogen 3.124 N/A LEU 284.A N LEU 280.A O no hydrogen 3.437 N/A VAL 285.A N PHE 281.A O no hydrogen 3.101 N/A ALA 286.A N ALA 282.A O no hydrogen 3.217 N/A ARG 287.A N ALA 283.A O no hydrogen 2.921 N/A ARG 287.A NE LEU 86.A O no hydrogen 3.025 N/A ARG 287.A NH1 PRO 15.A O no hydrogen 2.780 N/A ARG 287.A NH2 LEU 86.A O no hydrogen 3.086 N/A ILE 288.A N LEU 284.A O no hydrogen 2.921 N/A ASN 289.A N VAL 285.A O no hydrogen 2.534 N/A ASN 289.A ND2 GLN 23.A OE1 no hydrogen 3.069 N/A GLN 290.A N ALA 286.A O no hydrogen 3.051 N/A GLN 290.A NE2 ASP 19.A OD1 no hydrogen 3.010 N/A LYS 291.A N ARG 287.A O no hydrogen 3.104 N/A LEU 292.A N ILE 288.A O no hydrogen 3.088 N/A GLY 293.A N ASN 289.A O no hydrogen 2.900 N/A GLY 293.A N GLN 290.A O no hydrogen 3.275 N/A VAL 296.A N ASN 289.A OD1 no hydrogen 2.735 N/A TYR 298.A OH PRO 182.A O no hydrogen 2.534 N/A ASN 300.A ND2 VAL 184.A O no hydrogen 3.135 N/A LEU 303.A N LEU 299.A O no hydrogen 2.782 N/A TYR 304.A N ASN 300.A O no hydrogen 3.239 N/A TYR 304.A N PRO 301.A O no hydrogen 3.232 N/A TYR 304.A OH ASP 249.A OD1 no hydrogen 2.610 N/A GLN 305.A N THR 302.A O no hydrogen 2.710 N/A LEU 306.A N THR 302.A O no hydrogen 3.098 N/A VAL 310.A N PRO 307.A O no hydrogen 2.879 N/A PHE 311.A N ALA 308.A O no hydrogen 2.821 N/A HIS 312.A N SER 342.A O no hydrogen 2.796 N/A ASN 319.A N TYR 328.A O no hydrogen 2.956 N/A ASN 319.A ND2 THR 214.A O no hydrogen 3.366 N/A ASN 319.A ND2 GLY 216.A O no hydrogen 3.377 N/A ASN 319.A ND2 PRO 336.A O no hydrogen 3.631 N/A ASP 320.A N ASN 318.A OD1 no hydrogen 3.122 N/A ALA 322.A N ASP 320.A OD1 no hydrogen 2.693 N/A ASN 323.A N ASP 320.A OD1 no hydrogen 2.509 N/A ASN 323.A ND2 TYR 173.A OH no hydrogen 2.677 N/A ALA 325.A N ASN 323.A OD1 no hydrogen 2.706 N/A ILE 327.A N ASP 320.A OD2 no hydrogen 3.160 N/A TYR 328.A N ASN 319.A OD1 no hydrogen 2.847 N/A ALA 330.A N GLY 317.A O no hydrogen 2.912 N/A GLY 331.A N ASP 335.A OD2 no hydrogen 3.064 N/A GLY 333.A N ASP 313.A OD2 no hydrogen 3.009 N/A TRP 334.A NE1 PRO 248.A O no hydrogen 2.846 N/A ASP 335.A N GLY 339.A O no hydrogen 3.223 N/A CYS 337.A N ASP 335.A OD1 no hydrogen 3.212 N/A CYS 337.A SG TYR 328.A O no hydrogen 2.995 N/A THR 338.A N ASP 335.A OD1 no hydrogen 2.818 N/A THR 338.A OG1 ASP 335.A OD1 no hydrogen 2.710 N/A GLY 339.A N ASP 335.A O no hydrogen 2.803 N/A LEU 340.A N ASP 249.A O no hydrogen 2.903 N/A GLY 341.A N THR 338.A O no hydrogen 3.158 N/A SER 342.A N HIS 312.A O no hydrogen 3.146 N/A SER 342.A OG GLU 202.A OE1 no hydrogen 3.003 N/A ILE 344.A N VAL 310.A O no hydrogen 2.941 N/A GLY 345.A N TYR 12.A O no hydrogen 3.010 N/A VAL 346.A N GLN 13.A O no hydrogen 2.985 N/A LEU 348.A N ILE 344.A O no hydrogen 2.766 N/A LEU 349.A N GLY 345.A O no hydrogen 2.946 N/A GLN 350.A N VAL 346.A O no hydrogen 2.869 N/A ALA 351.A N ARG 347.A O no hydrogen 2.912 N/A LEU 352.A N LEU 349.A O no hydrogen 2.769 N/A LEU 353.A N LEU 349.A O no hydrogen 3.003 N/A LEU 353.A N GLN 350.A O no hydrogen 3.174 N/A