Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASP 28.A O no hydrogen 2.835 N/A ARG 4.A N ASP 93.A OD2 no hydrogen 3.232 N/A ARG 4.A NH2 TRP 90.A O no hydrogen 3.403 N/A VAL 5.A N GLU 30.A O no hydrogen 3.258 N/A ALA 6.A N LEU 94.A O no hydrogen 2.657 N/A ILE 7.A N ALA 33.A O no hydrogen 2.759 N/A ASN 8.A N ILE 96.A O no hydrogen 2.596 N/A GLY 9.A N ASN 35.A O no hydrogen 2.630 N/A ARG 12.A NE GLU 319.A OE2 no hydrogen 3.246 N/A ARG 12.A NH1 ASP 50.A OD1 no hydrogen 2.611 N/A ARG 12.A NH1 ASP 50.A OD2 no hydrogen 2.759 N/A ARG 12.A NH2 ASP 50.A OD2 no hydrogen 2.934 N/A ARG 15.A N GLY 11.A O no hydrogen 2.710 N/A ARG 15.A N ARG 12.A O no hydrogen 2.697 N/A ASN 16.A N ARG 12.A O no hydrogen 2.735 N/A PHE 17.A N ILE 13.A O no hydrogen 2.311 N/A ARG 19.A N ARG 15.A O no hydrogen 2.929 N/A ARG 19.A NH1 LEU 47.A O no hydrogen 3.001 N/A ARG 19.A NH1 GLU 48.A O no hydrogen 3.236 N/A CYS 20.A N ASN 16.A O no hydrogen 3.124 N/A CYS 20.A SG TRP 320.A O no hydrogen 3.745 N/A TRP 21.A N PHE 17.A O no hydrogen 2.913 N/A TRP 21.A NE1 THR 27.A OG1 no hydrogen 3.070 N/A PHE 22.A N LEU 18.A O no hydrogen 3.051 N/A GLY 23.A N ARG 19.A O no hydrogen 3.494 N/A ARG 24.A N TRP 21.A O no hydrogen 2.503 N/A ARG 24.A NH1 ASP 328.A OD1 no hydrogen 3.208 N/A ARG 24.A NH2 ASP 328.A OD1 no hydrogen 2.564 N/A THR 27.A OG1 LEU 29.A O no hydrogen 3.335 N/A THR 27.A OG1 GLU 331.A OE1 no hydrogen 2.421 N/A THR 27.A OG1 GLU 331.A OE2 no hydrogen 3.444 N/A ASP 28.A N GLU 331.A OE2 no hydrogen 3.366 N/A LEU 29.A N THR 27.A OG1 no hydrogen 2.834 N/A GLU 30.A N ILE 3.A O no hydrogen 3.054 N/A VAL 32.A N VAL 5.A O no hydrogen 2.872 N/A ALA 33.A N VAL 5.A O no hydrogen 3.421 N/A ASN 35.A N ILE 7.A O no hydrogen 3.157 N/A ASN 35.A ND2 ASN 8.A OD1 no hydrogen 2.437 N/A ASN 36.A N VAL 77.A O no hydrogen 3.236 N/A ARG 41.A NE TYR 62.A OH no hydrogen 3.471 N/A THR 42.A N ASP 39.A OD1 no hydrogen 2.831 N/A THR 42.A OG1 ASP 39.A OD1 no hydrogen 3.161 N/A ALA 43.A N ASP 39.A O no hydrogen 3.081 N/A ALA 44.A N ARG 41.A O no hydrogen 2.402 N/A HIS 45.A N ARG 41.A O no hydrogen 2.968 N/A LEU 47.A N ALA 44.A O no hydrogen 2.803 N/A TYR 49.A OH GLU 48.A OE1 no hydrogen 2.471 N/A LEU 53.A N ASP 50.A O no hydrogen 2.859 N/A GLY 54.A N ASP 50.A O no hydrogen 2.683 N/A ARG 55.A NE PHE 56.A O no hydrogen 3.266 N/A PHE 56.A N GLU 48.A O no hydrogen 3.099 N/A SER 61.A N THR 68.A O no hydrogen 3.018 N/A ASP 63.A N SER 66.A O no hydrogen 3.001 N/A ASN 65.A N ASP 63.A OD2 no hydrogen 2.267 N/A SER 66.A OG ASP 63.A OD1 no hydrogen 3.520 N/A SER 66.A OG ILE 67.A O no hydrogen 3.340 N/A SER 66.A OG MET 74.A O no hydrogen 2.898 N/A THR 68.A N SER 61.A O no hydrogen 3.145 N/A THR 68.A OG1 ILE 67.A O no hydrogen 2.457 N/A THR 68.A OG1 THR 73.A OG1 no hydrogen 2.324 N/A ASN 70.A N ASP 59.A O no hydrogen 2.806 N/A LYS 72.A N VAL 69.A O no hydrogen 3.232 N/A LYS 72.A NZ GLU 30.A OE1 no hydrogen 2.850 N/A LYS 72.A NZ GLU 30.A OE2 no hydrogen 3.240 N/A THR 73.A OG1 ILE 67.A O no hydrogen 3.269 N/A THR 73.A OG1 THR 68.A OG1 no hydrogen 2.324 N/A ILE 76.A N ASN 65.A O no hydrogen 3.303 N/A CYS 78.A SG SER 38.A O no hydrogen 3.682 N/A TRP 90.A N PRO 86.A O no hydrogen 3.048 N/A ASP 91.A N LYS 88.A O no hydrogen 2.998 N/A ILE 92.A N TRP 87.A O no hydrogen 2.958 N/A LEU 94.A N ARG 4.A O no hydrogen 3.014 N/A ILE 96.A N ALA 6.A O no hydrogen 2.753 N/A GLU 97.A N LEU 120.A O no hydrogen 2.603 N/A SER 98.A OG ASN 8.A O no hydrogen 2.889 N/A SER 98.A OG SER 98.A O no hydrogen 2.374 N/A THR 99.A N GLU 97.A OE1 no hydrogen 2.679 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 2.648 N/A THR 99.A OG1 GLU 97.A OE2 no hydrogen 3.371 N/A VAL 101.A N THR 99.A OG1 no hydrogen 3.046 N/A PHE 102.A N THR 99.A OG1 no hydrogen 3.072 N/A VAL 103.A N VAL 101.A O no hydrogen 2.578 N/A SER 109.A OG GLU 106.A O no hydrogen 2.749 N/A LYS 110.A N GLY 107.A O no hydrogen 2.827 N/A ILE 112.A N SER 109.A O no hydrogen 2.587 N/A GLN 113.A N SER 109.A O no hydrogen 3.018 N/A GLN 113.A NE2 SER 109.A OG no hydrogen 3.277 N/A GLY 115.A N ILE 112.A O no hydrogen 2.806 N/A ALA 116.A N HIS 111.A O no hydrogen 2.686 N/A LYS 117.A N ILE 92.A O no hydrogen 2.985 N/A LYS 117.A N ASP 93.A O no hydrogen 3.064 N/A LYS 117.A NZ ASP 91.A OD1 no hydrogen 3.026 N/A LYS 118.A NZ TYR 142.A OH no hydrogen 2.548 N/A LYS 118.A NZ HIS 144.A O no hydrogen 2.858 N/A VAL 119.A N ALA 148.A O no hydrogen 2.689 N/A LEU 120.A N VAL 95.A O no hydrogen 2.939 N/A ILE 121.A N ILE 150.A O no hydrogen 2.863 N/A THR 122.A N GLU 97.A O no hydrogen 3.373 N/A THR 122.A OG1 GLU 97.A O no hydrogen 2.800 N/A GLY 129.A N GLU 128.A OE2 no hydrogen 3.050 N/A GLY 131.A N VAL 149.A O no hydrogen 3.123 N/A TYR 133.A N SER 151.A O no hydrogen 3.221 N/A VAL 134.A N ASN 138.A OD1 no hydrogen 2.879 N/A VAL 137.A N VAL 134.A O no hydrogen 2.549 N/A ASN 138.A N VAL 134.A O no hydrogen 3.264 N/A ASN 138.A ND2 VAL 222.A O no hydrogen 3.680 N/A SER 140.A OG ASP 139.A OD2 no hydrogen 3.128 N/A GLU 141.A N ASN 138.A O no hydrogen 2.387 N/A ILE 150.A N VAL 119.A O no hydrogen 2.861 N/A SER 151.A OG ALA 123.A O no hydrogen 2.371 N/A ASN 152.A N ILE 121.A O no hydrogen 2.890 N/A ALA 153.A N SER 151.A OG no hydrogen 2.876 N/A SER 154.A OG THR 157.A OG1 no hydrogen 2.681 N/A CYS 155.A SG THR 156.A OG1 no hydrogen 3.665 N/A THR 157.A OG1 SER 154.A OG no hydrogen 2.681 N/A THR 157.A OG1 ALA 215.A O no hydrogen 2.855 N/A ASN 158.A N SER 154.A O no hydrogen 3.179 N/A CYS 159.A N THR 156.A O no hydrogen 2.668 N/A LEU 160.A N THR 156.A O no hydrogen 2.612 N/A ALA 161.A N THR 157.A O no hydrogen 2.534 N/A ALA 164.A N LEU 160.A O no hydrogen 3.174 N/A LYS 165.A N ALA 161.A O no hydrogen 3.002 N/A LEU 167.A N VAL 163.A O no hydrogen 3.079 N/A HIS 168.A N LYS 165.A O no hydrogen 2.650 N/A ASP 169.A N LYS 165.A O no hydrogen 3.020 N/A ASN 170.A ND2 VAL 166.A O no hydrogen 2.826 N/A PHE 171.A N LEU 167.A O no hydrogen 2.992 N/A GLY 172.A N LEU 167.A O no hydrogen 3.151 N/A ILE 173.A N HIS 168.A ND1 no hydrogen 2.380 N/A ILE 174.A N GLN 250.A O no hydrogen 2.701 N/A LYS 175.A NZ GLN 250.A OE1 no hydrogen 2.917 N/A THR 177.A OG1 ASN 231.A O no hydrogen 3.254 N/A THR 179.A N ASP 246.A O no hydrogen 3.222 N/A THR 179.A OG1 MET 178.A O no hydrogen 2.422 N/A THR 180.A N ILE 233.A O no hydrogen 2.732 N/A THR 180.A OG1 TYR 316.A OH no hydrogen 3.016 N/A THR 181.A N VAL 244.A O no hydrogen 3.211 N/A HIS 182.A N LEU 235.A O no hydrogen 2.643 N/A HIS 182.A ND1 SER 183.A O no hydrogen 2.456 N/A SER 183.A OG THR 239.A O no hydrogen 2.365 N/A SER 183.A OG THR 239.A OG1 no hydrogen 2.723 N/A TYR 184.A N THR 239.A O no hydrogen 3.271 N/A THR 185.A OG1 ASP 187.A OD2 no hydrogen 2.535 N/A ARG 189.A N ARG 200.A O no hydrogen 3.026 N/A ARG 189.A NE SER 194.A O no hydrogen 2.979 N/A ASP 192.A N ASP 192.A OD1 no hydrogen 2.212 N/A ALA 193.A N ALA 201.A O no hydrogen 2.690 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 3.043 N/A ARG 199.A N ASP 197.A OD2 no hydrogen 2.978 N/A ARG 200.A NE ASP 187.A OD1 no hydrogen 2.841 N/A ARG 200.A NH1 ASP 187.A OD1 no hydrogen 3.330 N/A ALA 201.A N ASP 197.A O no hydrogen 2.865 N/A ARG 202.A N ARG 199.A O no hydrogen 2.846 N/A ASN 207.A N ALA 204.A O no hydrogen 3.415 N/A ASN 207.A ND2 ALA 203.A O no hydrogen 3.045 N/A VAL 209.A N ARG 236.A O no hydrogen 3.286 N/A THR 211.A N ALA 234.A O no hydrogen 2.709 N/A THR 211.A OG1 ALA 234.A O no hydrogen 3.331 N/A ALA 215.A N THR 213.A OG1 no hydrogen 3.067 N/A ALA 218.A N GLY 214.A O no hydrogen 3.017 N/A VAL 219.A N ALA 216.A O no hydrogen 2.779 N/A ALA 220.A N LYS 217.A O no hydrogen 3.248 N/A LEU 221.A N ALA 218.A O no hydrogen 3.123 N/A ILE 223.A N VAL 219.A O no hydrogen 3.207 N/A LYS 227.A N PRO 224.A O no hydrogen 3.010 N/A LYS 229.A NZ GLU 225.A O no hydrogen 3.005 N/A LEU 235.A N THR 180.A O no hydrogen 3.278 N/A ARG 236.A NE THR 211.A OG1 no hydrogen 2.305 N/A ARG 236.A NH1 ASP 187.A OD2 no hydrogen 3.162 N/A ARG 236.A NH1 GLN 188.A OE1 no hydrogen 2.720 N/A VAL 237.A N HIS 182.A O no hydrogen 3.123 N/A THR 239.A OG1 SER 183.A OG no hydrogen 2.723 N/A THR 239.A OG1 VAL 237.A O no hydrogen 3.156 N/A ASN 241.A ND2 ASP 317.A OD1 no hydrogen 3.331 N/A SER 243.A N TYR 316.A O no hydrogen 3.185 N/A VAL 245.A N ALA 314.A O no hydrogen 2.636 N/A ASP 246.A N THR 179.A O no hydrogen 2.615 N/A LEU 247.A N VAL 312.A O no hydrogen 3.037 N/A VAL 248.A N THR 177.A O no hydrogen 3.151 N/A VAL 249.A N VAL 310.A O no hydrogen 2.855 N/A LYS 253.A NZ ASN 170.A O no hydrogen 3.284 N/A THR 255.A N GLY 307.A O no hydrogen 2.712 N/A THR 255.A OG1 GLN 259.A OE1 no hydrogen 2.299 N/A ILE 256.A N THR 255.A OG1 no hydrogen 2.585 N/A VAL 260.A N ILE 256.A O no hydrogen 3.172 N/A ASN 261.A N THR 257.A O no hydrogen 2.638 N/A GLU 262.A N GLU 258.A O no hydrogen 2.723 N/A VAL 263.A N GLN 259.A O no hydrogen 2.754 N/A VAL 263.A N VAL 260.A O no hydrogen 2.991 N/A LEU 264.A N ASN 261.A O no hydrogen 2.715 N/A GLN 265.A N ASN 261.A O no hydrogen 3.045 N/A LYS 266.A N GLU 262.A O no hydrogen 3.146 N/A ALA 267.A N VAL 263.A O no hydrogen 3.483 N/A SER 268.A N LEU 264.A O no hydrogen 2.543 N/A SER 268.A OG GLN 265.A O no hydrogen 2.864 N/A GLN 269.A N LYS 266.A O no hydrogen 2.502 N/A THR 270.A N LYS 266.A O no hydrogen 2.195 N/A THR 270.A OG1 LYS 266.A O no hydrogen 2.528 N/A LYS 273.A N THR 270.A O no hydrogen 3.168 N/A ILE 275.A N MET 272.A O no hydrogen 2.781 N/A ILE 276.A N MET 272.A O no hydrogen 3.150 N/A LYS 277.A N SER 295.A O no hydrogen 3.048 N/A SER 279.A OG ASP 298.A OD1 no hydrogen 3.351 N/A VAL 284.A N ASP 287.A OD2 no hydrogen 2.962 N/A ASP 287.A N VAL 284.A O no hydrogen 2.754 N/A PHE 288.A N SER 285.A O no hydrogen 2.660 N/A ARG 289.A NE SER 286.A O no hydrogen 3.369 N/A THR 291.A OG1 PHE 288.A O no hydrogen 3.067 N/A SER 294.A N ILE 275.A O no hydrogen 2.825 N/A SER 294.A OG ASN 158.A O no hydrogen 2.857 N/A SER 294.A OG SER 295.A OG no hydrogen 3.416 N/A SER 295.A OG CYS 159.A O no hydrogen 2.562 N/A SER 295.A OG SER 294.A OG no hydrogen 3.416 N/A ILE 296.A N TRP 315.A O no hydrogen 3.047 N/A VAL 297.A N LYS 277.A O no hydrogen 3.218 N/A SER 299.A OG TYR 278.A OH no hydrogen 3.194 N/A SER 300.A OG ASP 298.A OD2 no hydrogen 2.710 N/A LEU 301.A N ASP 298.A O no hydrogen 2.574 N/A THR 302.A N SER 299.A O no hydrogen 2.793 N/A MET 305.A N LEU 309.A O no hydrogen 2.588 N/A ASP 308.A N ASP 306.A O no hydrogen 2.521 N/A LEU 309.A N MET 305.A O no hydrogen 3.145 N/A VAL 310.A N VAL 249.A O no hydrogen 2.665 N/A LYS 311.A NZ ASP 246.A OD1 no hydrogen 2.954 N/A LYS 311.A NZ ASP 246.A OD2 no hydrogen 2.946 N/A VAL 312.A N LEU 247.A O no hydrogen 2.516 N/A ALA 314.A N VAL 245.A O no hydrogen 3.393 N/A TRP 315.A N ILE 296.A O no hydrogen 3.187 N/A TYR 316.A N SER 243.A O no hydrogen 2.492 N/A TYR 316.A OH THR 180.A OG1 no hydrogen 3.016 N/A ASN 318.A ND2 SER 243.A OG no hydrogen 3.423 N/A GLU 319.A N ASP 317.A OD1 no hydrogen 2.666 N/A TRP 320.A N ASP 317.A OD1 no hydrogen 3.034 N/A TRP 320.A NE1 ASP 292.A OD1 no hydrogen 2.973 N/A TYR 322.A N ASP 317.A O no hydrogen 3.380 N/A TYR 322.A OH ASN 152.A O no hydrogen 2.336 N/A TYR 322.A OH ALA 153.A O no hydrogen 2.582 N/A SER 323.A N GLU 319.A O no hydrogen 3.184 N/A SER 323.A OG ILE 13.A O no hydrogen 2.937 N/A SER 323.A OG GLU 319.A O no hydrogen 3.373 N/A GLN 324.A N TRP 320.A O no hydrogen 3.116 N/A ARG 325.A N GLY 321.A O no hydrogen 3.447 N/A ARG 325.A NH2 ASP 292.A O no hydrogen 3.537 N/A VAL 326.A N TYR 322.A O no hydrogen 3.260 N/A VAL 327.A N SER 323.A O no hydrogen 3.397 N/A ASP 328.A N GLN 324.A O no hydrogen 3.016 N/A LEU 329.A N VAL 326.A O no hydrogen 2.473 N/A ALA 330.A N VAL 326.A O no hydrogen 2.568 N/A GLU 331.A N VAL 327.A O no hydrogen 3.293 N/A ALA 333.A N LEU 329.A O no hydrogen 3.344 N/A ALA 334.A N ALA 330.A O no hydrogen 3.074 N/A ARG 335.A N GLU 331.A O no hydrogen 2.929 N/A LYS 336.A NZ TYR 142.A O no hydrogen 3.473 N/A TRP 337.A N ALA 334.A O no hydrogen 2.996 N/A ALA 338.A N HIS 144.A NE2 no hydrogen 3.349 N/A