Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8van_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 MET 1.A O no hydrogen 2.999 N/A ARG 3.A NH2 GLU 122.A OE1 no hydrogen 3.552 N/A TYR 5.A OH GLN 140.A O no hydrogen 3.334 N/A GLN 8.A N TYR 5.A O no hydrogen 2.742 N/A LEU 9.A N PRO 6.A O no hydrogen 3.024 N/A ARG 10.A NH1 GLN 40.A OE1 no hydrogen 2.968 N/A ARG 10.A NH2 GLN 40.A OE1 no hydrogen 2.879 N/A ALA 11.A N GLN 8.A O no hydrogen 2.979 N/A LEU 13.A N LEU 9.A O no hydrogen 2.928 N/A ASN 14.A N ARG 10.A O no hydrogen 3.153 N/A ARG 18.A N TYR 21.A OH no hydrogen 2.975 N/A ARG 18.A NE GLY 16.A O no hydrogen 3.020 N/A ARG 18.A NH2 LEU 17.A O no hydrogen 3.103 N/A ALA 19.A N ARG 133.A O no hydrogen 2.638 N/A ALA 20.A N SER 134.A OG no hydrogen 2.727 N/A TYR 21.A N LEU 110.A O no hydrogen 3.334 N/A LEU 22.A N VAL 135.A O no hydrogen 2.561 N/A LEU 23.A N VAL 112.A O no hydrogen 2.888 N/A LEU 24.A N GLN 136.A OE1 no hydrogen 2.566 N/A GLY 25.A N GLY 114.A O no hydrogen 3.217 N/A ASN 26.A N CYS 139.A O no hydrogen 3.004 N/A ASP 27.A N CYS 139.A O no hydrogen 2.693 N/A LEU 30.A N ASP 27.A OD2 no hydrogen 2.847 N/A LEU 31.A N ASP 27.A O no hydrogen 2.727 N/A GLN 32.A N PRO 28.A O no hydrogen 2.705 N/A GLU 33.A N LEU 29.A O no hydrogen 3.017 N/A SER 34.A N LEU 30.A O no hydrogen 2.829 N/A SER 34.A OG LEU 30.A O no hydrogen 3.029 N/A GLN 35.A N LEU 31.A O no hydrogen 2.976 N/A ASP 36.A N GLN 32.A O no hydrogen 3.073 N/A VAL 38.A N GLN 35.A O no hydrogen 3.298 N/A ARG 39.A N GLN 35.A O no hydrogen 3.141 N/A GLN 40.A N ASP 36.A O no hydrogen 2.757 N/A VAL 41.A N ALA 37.A O no hydrogen 3.437 N/A ALA 42.A N VAL 38.A O no hydrogen 2.565 N/A ALA 43.A N ARG 39.A O no hydrogen 2.626 N/A ALA 44.A N GLN 40.A O no hydrogen 3.119 N/A GLN 45.A N VAL 41.A O no hydrogen 2.798 N/A GLY 46.A N ALA 43.A O no hydrogen 3.338 N/A HIS 51.A N THR 79.A O no hydrogen 3.051 N/A PHE 53.A N LEU 81.A O no hydrogen 2.861 N/A SER 54.A OG LEU 83.A O no hydrogen 3.371 N/A ILE 55.A N LEU 83.A O no hydrogen 2.870 N/A ASP 56.A N ASP 60.A OD2 no hydrogen 2.765 N/A SER 66.A OG ILE 64.A O no hydrogen 3.171 N/A SER 76.A OG GLU 49.A OE1 no hydrogen 2.490 N/A SER 76.A OG ARG 77.A O no hydrogen 3.226 N/A THR 79.A OG1 PHE 47.A O no hydrogen 3.423 N/A LEU 80.A N LEU 109.A O no hydrogen 3.238 N/A LEU 81.A N HIS 51.A O no hydrogen 3.070 N/A LEU 82.A N ILE 111.A O no hydrogen 2.982 N/A ASN 87.A N GLU 86.A OE2 no hydrogen 3.054 N/A ASN 90.A ND2 ASN 87.A OD1 no hydrogen 3.192 N/A ALA 92.A N GLU 95.A OE1 no hydrogen 2.896 N/A ASN 94.A N ASN 90.A O no hydrogen 2.575 N/A GLN 96.A N ALA 92.A O no hydrogen 2.854 N/A LEU 97.A N ASN 94.A O no hydrogen 3.114 N/A LEU 98.A N ASN 94.A O no hydrogen 2.681 N/A THR 99.A OG1 GLU 95.A O no hydrogen 3.051 N/A THR 99.A OG1 GLN 96.A OE1 no hydrogen 2.975 N/A THR 101.A N LEU 97.A O no hydrogen 3.301 N/A THR 101.A OG1 LEU 98.A O no hydrogen 2.708 N/A GLY 102.A N LEU 98.A O no hydrogen 3.448 N/A LEU 103.A N LEU 100.A O no hydrogen 3.019 N/A LEU 108.A N HIS 105.A O no hydrogen 2.796 N/A LEU 109.A N GLN 78.A O no hydrogen 2.803 N/A ILE 111.A N LEU 80.A O no hydrogen 3.416 N/A VAL 112.A N TYR 21.A O no hydrogen 2.822 N/A ARG 113.A N LEU 82.A O no hydrogen 2.995 N/A ARG 113.A NH1 GLN 35.A OE1 no hydrogen 2.684 N/A GLY 114.A N LEU 23.A O no hydrogen 2.908 N/A LYS 116.A NZ GLN 140.A OE1 no hydrogen 2.660 N/A SER 118.A N GLN 121.A OE1 no hydrogen 3.311 N/A SER 118.A OG ASN 87.A O no hydrogen 3.112 N/A GLN 121.A NE2 ASN 87.A OD1 no hydrogen 2.595 N/A GLN 121.A NE2 GLY 88.A O no hydrogen 3.066 N/A GLU 122.A N SER 118.A O no hydrogen 3.098 N/A ASN 123.A N ALA 120.A O no hydrogen 3.109 N/A THR 128.A OG1 PHE 127.A O no hydrogen 2.840 N/A ALA 129.A N ALA 125.A O no hydrogen 3.201 N/A ALA 129.A N TRP 126.A O no hydrogen 3.157 N/A LEU 130.A N TRP 126.A O no hydrogen 3.232 N/A ARG 133.A NE ALA 129.A O no hydrogen 3.471 N/A SER 134.A N LEU 130.A O no hydrogen 3.075 N/A SER 134.A OG LEU 130.A O no hydrogen 2.760 N/A VAL 135.A N ALA 20.A O no hydrogen 2.739 N/A GLN 136.A N ILE 2.A O no hydrogen 2.694 N/A GLN 136.A NE2 THR 138.A OG1 no hydrogen 3.025 N/A VAL 137.A N LEU 22.A O no hydrogen 2.670 N/A THR 138.A N LEU 4.A O no hydrogen 2.724 N/A CYS 139.A N LEU 24.A O no hydrogen 2.972 N/A CYS 139.A SG LEU 30.A O no hydrogen 3.636 N/A CYS 139.A SG SER 34.A OG no hydrogen 2.931 N/A CYS 139.A SG VAL 137.A O no hydrogen 3.081 N/A GLN 140.A NE2 ASN 26.A OD1 no hydrogen 3.011 N/A GLN 144.A N GLU 143.A OE1 no hydrogen 2.608 N/A LEU 147.A N GLU 143.A O no hydrogen 2.774 N/A TRP 150.A N GLN 146.A O no hydrogen 3.058 N/A TRP 150.A NE1 GLU 7.A OE1 no hydrogen 3.189 N/A VAL 151.A N LEU 147.A O no hydrogen 2.831 N/A ALA 152.A N PRO 148.A O no hydrogen 2.681 N/A ALA 153.A N ARG 149.A O no hydrogen 2.927 N/A ALA 153.A N TRP 150.A O no hydrogen 2.926 N/A ARG 154.A N TRP 150.A O no hydrogen 2.750 N/A ALA 155.A N ALA 152.A O no hydrogen 3.348 N/A LYS 156.A N ALA 153.A O no hydrogen 2.955 N/A LYS 156.A NZ ALA 152.A O no hydrogen 3.141 N/A GLN 157.A N ARG 154.A O no hydrogen 3.007 N/A LEU 162.A N LEU 197.A O no hydrogen 2.699 N/A ALA 165.A N ASP 163.A OD1 no hydrogen 2.650 N/A ASN 167.A N ASP 164.A O no hydrogen 2.687 N/A GLN 168.A N ASP 164.A O no hydrogen 2.964 N/A GLN 168.A NE2 ASP 164.A O no hydrogen 2.603 N/A VAL 169.A N ALA 165.A O no hydrogen 3.379 N/A LEU 170.A N ALA 166.A O no hydrogen 2.899 N/A CYS 171.A N ASN 167.A O no hydrogen 2.558 N/A CYS 171.A SG ASN 167.A O no hydrogen 2.915 N/A TYR 172.A N GLN 168.A O no hydrogen 2.628 N/A CYS 173.A N VAL 169.A O no hydrogen 3.159 N/A CYS 173.A SG VAL 169.A O no hydrogen 2.726 N/A TYR 174.A N LEU 170.A O no hydrogen 2.644 N/A ASN 177.A N TYR 174.A O no hydrogen 3.004 N/A ALA 180.A N ASN 177.A OD1 no hydrogen 3.081 N/A LEU 181.A N ASN 177.A O no hydrogen 2.973 N/A ALA 182.A N LEU 178.A O no hydrogen 2.691 N/A GLN 183.A N LEU 179.A O no hydrogen 2.896 N/A ALA 184.A N ALA 180.A O no hydrogen 2.655 N/A LEU 185.A N LEU 181.A O no hydrogen 3.079 N/A LEU 185.A N ALA 182.A O no hydrogen 3.149 N/A GLU 186.A N ALA 182.A O no hydrogen 3.269 N/A ARG 187.A N GLN 183.A O no hydrogen 2.887 N/A SER 189.A N LEU 185.A O no hydrogen 3.245 N/A SER 189.A OG LEU 185.A O no hydrogen 2.893 N/A SER 189.A OG GLU 186.A O no hydrogen 2.878 N/A LEU 190.A N GLU 186.A O no hydrogen 3.414 N/A LEU 191.A N ARG 187.A O no hydrogen 3.056 N/A TRP 192.A N LEU 188.A O no hydrogen 3.229 N/A LYS 196.A N ASP 194.A OD2 no hydrogen 3.117 N/A LEU 199.A N ASP 163.A OD2 no hydrogen 2.755 N/A VAL 202.A N THR 198.A O no hydrogen 3.034 N/A GLU 203.A N LEU 199.A O no hydrogen 3.111 N/A GLU 203.A N PRO 200.A O no hydrogen 3.181 N/A GLN 204.A N ARG 201.A O no hydrogen 3.185 N/A THR 213.A OG1 CYS 173.A O no hydrogen 3.470 N/A HIS 216.A N THR 213.A O no hydrogen 3.353 N/A TRP 217.A N PRO 214.A O no hydrogen 3.068 N/A VAL 218.A N PRO 214.A O no hydrogen 3.010 N/A ASP 219.A N PHE 215.A O no hydrogen 2.616 N/A ALA 220.A N HIS 216.A O no hydrogen 3.174 N/A LEU 221.A N TRP 217.A O no hydrogen 2.735 N/A LEU 222.A N VAL 218.A O no hydrogen 2.679 N/A MET 223.A N ASP 219.A O no hydrogen 3.243 N/A GLY 224.A N ALA 220.A O no hydrogen 3.343 N/A SER 226.A OG GLY 224.A O no hydrogen 2.665 N/A SER 226.A OG SER 328.A O no hydrogen 3.552 N/A ALA 229.A N LYS 225.A O no hydrogen 3.216 N/A HIS 231.A N LYS 227.A O no hydrogen 2.916 N/A ILE 232.A N ARG 228.A O no hydrogen 3.263 N/A LEU 233.A N ALA 229.A O no hydrogen 3.300 N/A GLN 234.A N LEU 230.A O no hydrogen 3.191 N/A GLN 234.A N HIS 231.A O no hydrogen 2.881 N/A GLN 235.A N HIS 231.A O no hydrogen 3.201 N/A LEU 236.A N ILE 232.A O no hydrogen 2.755 N/A ARG 237.A N LEU 233.A O no hydrogen 2.922 N/A LEU 238.A N GLN 234.A O no hydrogen 3.187 N/A GLU 239.A N GLN 235.A O no hydrogen 3.046 N/A GLY 240.A N ARG 237.A O no hydrogen 2.533 N/A SER 241.A N LEU 236.A O no hydrogen 3.078 N/A SER 241.A OG LEU 236.A O no hydrogen 2.991 N/A ILE 245.A N GLU 242.A O no hydrogen 3.249 N/A LEU 246.A N PRO 243.A O no hydrogen 3.052 N/A LEU 247.A N PRO 243.A O no hydrogen 3.099 N/A ARG 248.A N VAL 244.A O no hydrogen 2.755 N/A ARG 248.A NE GLN 251.A OE1 no hydrogen 3.410 N/A ARG 248.A NH1 GLU 309.A OE1 no hydrogen 3.380 N/A THR 249.A N ILE 245.A O no hydrogen 2.972 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.600 N/A LEU 250.A N LEU 246.A O no hydrogen 2.850 N/A GLN 251.A N LEU 247.A O no hydrogen 2.802 N/A GLN 251.A N ARG 248.A O no hydrogen 3.215 N/A ARG 252.A N ARG 248.A O no hydrogen 2.933 N/A GLU 253.A N LEU 250.A O no hydrogen 3.223 N/A LEU 254.A N LEU 250.A O no hydrogen 2.900 N/A LEU 255.A N GLN 251.A O no hydrogen 2.920 N/A LEU 257.A N GLU 253.A O no hydrogen 2.736 N/A VAL 258.A N LEU 254.A O no hydrogen 2.894 N/A ASN 259.A N LEU 255.A O no hydrogen 3.140 N/A LEU 260.A N LEU 256.A O no hydrogen 2.947 N/A LYS 261.A N LEU 257.A O no hydrogen 2.645 N/A LYS 261.A NZ LYS 261.A O no hydrogen 2.866 N/A LYS 261.A NZ SER 264.A O no hydrogen 3.299 N/A ARG 262.A N VAL 258.A O no hydrogen 2.724 N/A ARG 262.A NH1 VAL 258.A O no hydrogen 3.258 N/A GLN 263.A N ASN 259.A O no hydrogen 3.131 N/A SER 264.A OG THR 267.A O no hydrogen 2.945 N/A THR 267.A OG1 GLN 263.A O no hydrogen 2.904 N/A ALA 271.A N LEU 269.A O no hydrogen 2.597 N/A ASP 274.A N ALA 271.A O no hydrogen 2.803 N/A LYS 275.A N ALA 271.A O no hydrogen 2.621 N/A LYS 275.A NZ GLN 263.A OE1 no hydrogen 3.547 N/A HIS 276.A N LEU 272.A O no hydrogen 3.000 N/A ARG 277.A NH1 GLU 143.A OE2 no hydrogen 3.021 N/A ARG 277.A NH2 VAL 278.A O no hydrogen 2.912 N/A ARG 277.A NH2 GLN 280.A OE1 no hydrogen 2.536 N/A GLN 280.A NE2 ASP 274.A OD2 no hydrogen 2.531 N/A ARG 283.A N GLN 280.A O no hydrogen 3.326 N/A MET 286.A N ARG 282.A O no hydrogen 2.606 N/A GLY 287.A N GLY 284.A O no hydrogen 3.089 N/A GLU 288.A N GLY 284.A O no hydrogen 3.315 N/A ALA 289.A N MET 285.A O no hydrogen 3.311 N/A LEU 290.A N GLY 287.A O no hydrogen 3.361 N/A ASN 291.A N GLU 288.A O no hydrogen 2.901 N/A ARG 292.A N GLU 288.A O no hydrogen 2.793 N/A ARG 292.A N ALA 289.A O no hydrogen 3.284 N/A ARG 292.A NE CYS 332.A O no hydrogen 3.152 N/A ARG 292.A NH1 LEU 222.A O no hydrogen 2.757 N/A ARG 292.A NH2 LEU 222.A O no hydrogen 2.772 N/A LEU 293.A N ALA 289.A O no hydrogen 2.608 N/A SER 294.A OG ARG 292.A O no hydrogen 3.380 N/A LEU 298.A N SER 294.A O no hydrogen 3.119 N/A ARG 299.A N THR 296.A O no hydrogen 2.762 N/A ALA 301.A N LEU 298.A O no hydrogen 3.280 N/A VAL 302.A N LEU 298.A O no hydrogen 3.448 N/A LEU 304.A N ALA 301.A O no hydrogen 2.902 N/A LEU 305.A N ALA 301.A O no hydrogen 2.833 N/A THR 306.A N VAL 302.A O no hydrogen 2.947 N/A THR 306.A OG1 VAL 302.A O no hydrogen 2.889 N/A ARG 307.A N GLN 303.A O no hydrogen 3.129 N/A THR 308.A N LEU 304.A O no hydrogen 2.861 N/A THR 308.A OG1 GLU 323.A OE1 no hydrogen 2.746 N/A GLU 309.A N LEU 305.A O no hydrogen 3.015 N/A LEU 310.A N THR 306.A O no hydrogen 3.010 N/A LEU 310.A N ARG 307.A O no hydrogen 3.254 N/A THR 311.A N ARG 307.A O no hydrogen 2.954 N/A THR 311.A OG1 ARG 307.A O no hydrogen 2.686 N/A THR 311.A OG1 GLU 323.A OE1 no hydrogen 2.723 N/A LEU 312.A N THR 308.A O no hydrogen 2.876 N/A LYS 313.A N GLU 309.A O no hydrogen 2.966 N/A GLN 314.A N LEU 310.A O no hydrogen 2.855 N/A GLY 317.A N THR 311.A O no hydrogen 2.684 N/A GLU 323.A N SER 319.A O no hydrogen 3.064 N/A LEU 324.A N VAL 320.A O no hydrogen 3.052 N/A GLU 325.A N ALA 322.A O no hydrogen 3.206 N/A SER 328.A N LEU 324.A O no hydrogen 2.859 N/A SER 328.A OG LEU 324.A O no hydrogen 3.285 N/A LEU 329.A N GLY 326.A O no hydrogen 3.356 N/A LEU 330.A N LEU 327.A O no hydrogen 2.751 N/A LEU 331.A N LEU 327.A O no hydrogen 2.640 N/A CYS 332.A SG LEU 221.A O no hydrogen 3.191 N/A CYS 332.A SG GLY 224.A O no hydrogen 3.142 N/A LYS 334.A NZ ASP 338.A O no hydrogen 3.429 N/A LYS 334.A NZ ASP 338.A OD1 no hydrogen 2.595 N/A