Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 152.A OG no hydrogen 3.135 N/A GLN 4.A N PHE 60.A O no hydrogen 2.738 N/A LEU 5.A N LEU 23.A O no hydrogen 2.648 N/A GLN 6.A N ASP 58.A O no hydrogen 2.879 N/A VAL 8.A N ILE 21.A O no hydrogen 3.314 N/A THR 9.A N SER 56.A O no hydrogen 2.624 N/A THR 9.A OG1 ASN 7.A O no hydrogen 3.544 N/A LYS 10.A NZ GLU 52.A OE2 no hydrogen 3.569 N/A LYS 10.A NZ THR 53.A O no hydrogen 2.770 N/A ALA 11.A N THR 55.A OG1 no hydrogen 2.850 N/A TRP 12.A N VAL 15.A O no hydrogen 2.845 N/A VAL 15.A N TRP 12.A O no hydrogen 3.148 N/A SER 18.A N LYS 10.A O no hydrogen 3.431 N/A SER 18.A OG LYS 19.A O no hydrogen 3.384 N/A SER 18.A OG GLY 209.A O no hydrogen 2.740 N/A ILE 21.A N VAL 8.A O no hydrogen 2.938 N/A LEU 23.A N LEU 5.A O no hydrogen 2.893 N/A ILE 25.A N VAL 3.A O no hydrogen 3.017 N/A HIS 26.A N GLU 29.A OE2 no hydrogen 2.777 N/A GLU 29.A N HIS 26.A O no hydrogen 3.309 N/A PHE 30.A N ASP 201.A OD2 no hydrogen 3.195 N/A VAL 31.A N MET 186.A O no hydrogen 2.814 N/A VAL 32.A N LYS 202.A O no hydrogen 3.202 N/A PHE 33.A N TYR 188.A O no hydrogen 2.717 N/A VAL 34.A N VAL 204.A O no hydrogen 2.797 N/A CYS 39.A SG PRO 36.A O no hydrogen 3.124 N/A LYS 41.A NZ GLY 35.A O no hydrogen 3.019 N/A SER 42.A OG GLN 81.A OE1 no hydrogen 3.429 N/A SER 42.A OG ASP 157.A OD1 no hydrogen 3.334 N/A SER 42.A OG ASP 157.A OD2 no hydrogen 2.714 N/A LEU 44.A N GLY 40.A O no hydrogen 3.132 N/A LEU 45.A N LYS 41.A O no hydrogen 3.297 N/A ARG 46.A N SER 42.A O no hydrogen 2.701 N/A MET 47.A N THR 43.A O no hydrogen 2.791 N/A ILE 48.A N LEU 44.A O no hydrogen 3.166 N/A ALA 49.A N LEU 45.A O no hydrogen 3.056 N/A GLY 50.A N ARG 46.A O no hydrogen 2.887 N/A LEU 51.A N ARG 46.A O no hydrogen 2.983 N/A GLU 52.A N ARG 46.A O no hydrogen 3.328 N/A SER 56.A N THR 9.A O no hydrogen 3.058 N/A ASP 58.A N GLN 6.A O no hydrogen 2.852 N/A LEU 59.A N ASN 67.A OD1 no hydrogen 2.863 N/A PHE 60.A N GLN 4.A O no hydrogen 2.854 N/A ILE 61.A N LYS 64.A O no hydrogen 3.085 N/A GLY 62.A N SER 2.A O no hydrogen 2.921 N/A ARG 65.A NE ASP 58.A OD1 no hydrogen 2.837 N/A ARG 65.A NH1 ASP 68.A OD2 no hydrogen 3.466 N/A ARG 65.A NH2 ASP 58.A OD1 no hydrogen 3.488 N/A MET 66.A N LEU 59.A O no hydrogen 2.692 N/A ASN 67.A ND2 GLY 57.A O no hydrogen 2.745 N/A THR 69.A N MET 66.A O no hydrogen 2.894 N/A THR 69.A OG1 MET 66.A O no hydrogen 3.243 N/A GLU 73.A N PRO 70.A O no hydrogen 2.993 N/A ARG 74.A N PRO 71.A O no hydrogen 3.243 N/A ARG 74.A NE THR 69.A O no hydrogen 2.932 N/A ARG 74.A NH1 MET 47.A O no hydrogen 2.950 N/A ARG 74.A NH1 ILE 48.A O no hydrogen 2.865 N/A ARG 74.A NH2 THR 69.A O no hydrogen 3.203 N/A GLY 77.A N VAL 153.A O no hydrogen 2.950 N/A VAL 79.A N LEU 155.A O no hydrogen 2.787 N/A TYR 83.A N PHE 80.A O no hydrogen 3.092 N/A ALA 84.A N SER 82.A OG no hydrogen 3.258 N/A TYR 86.A N ASN 94.A OD1 no hydrogen 2.791 N/A LEU 89.A N TYR 86.A O no hydrogen 3.337 N/A SER 90.A N GLU 93.A OE1 no hydrogen 3.266 N/A SER 90.A OG GLU 93.A OE1 no hydrogen 3.184 N/A VAL 91.A N ARG 128.A O no hydrogen 2.808 N/A ALA 92.A N LEU 126.A O no hydrogen 2.982 N/A GLU 93.A N SER 90.A OG no hydrogen 3.312 N/A ASN 94.A N SER 90.A O no hydrogen 2.804 N/A ASN 94.A ND2 TYR 86.A O no hydrogen 3.187 N/A ASN 94.A ND2 SER 90.A O no hydrogen 2.817 N/A MET 95.A N VAL 91.A O no hydrogen 3.164 N/A SER 96.A N ALA 92.A O no hydrogen 3.153 N/A SER 96.A OG ALA 92.A O no hydrogen 2.808 N/A ILE 109.A N LYS 105.A O no hydrogen 2.818 N/A ASN 110.A N LYS 106.A O no hydrogen 3.468 N/A ARG 112.A N VAL 108.A O no hydrogen 2.873 N/A ARG 112.A NH1 VAL 148.A O no hydrogen 3.453 N/A VAL 113.A N ILE 109.A O no hydrogen 3.139 N/A ASN 114.A N ASN 110.A O no hydrogen 3.249 N/A GLN 115.A N GLN 111.A O no hydrogen 2.981 N/A ALA 117.A N VAL 113.A O no hydrogen 2.690 N/A GLU 118.A N ASN 114.A O no hydrogen 3.156 N/A LEU 122.A N ALA 117.A O no hydrogen 2.788 N/A LEU 125.A N LEU 122.A O no hydrogen 3.239 N/A ARG 128.A N LEU 125.A O no hydrogen 3.347 N/A ALA 132.A N LYS 129.A O no hydrogen 2.818 N/A SER 134.A N GLN 137.A OE1 no hydrogen 2.874 N/A ARG 138.A N SER 134.A O no hydrogen 2.839 N/A GLN 139.A N GLY 135.A O no hydrogen 3.237 N/A GLN 139.A NE2 PRO 159.A O no hydrogen 2.781 N/A VAL 141.A N GLN 137.A O no hydrogen 3.205 N/A ALA 142.A N ARG 138.A O no hydrogen 3.102 N/A ILE 143.A N GLN 139.A O no hydrogen 3.097 N/A GLY 144.A N ARG 140.A O no hydrogen 2.845 N/A ARG 145.A N VAL 141.A O no hydrogen 2.981 N/A ARG 145.A NE ASN 94.A O no hydrogen 3.061 N/A ARG 145.A NH1 ALA 84.A O no hydrogen 2.970 N/A ARG 145.A NH2 ALA 84.A O no hydrogen 2.769 N/A ARG 145.A NH2 ASN 94.A OD1 no hydrogen 3.134 N/A THR 146.A OG1 ILE 143.A O no hydrogen 2.714 N/A LEU 147.A N ILE 143.A O no hydrogen 3.017 N/A VAL 148.A N GLY 144.A O no hydrogen 2.813 N/A ALA 149.A N ARG 145.A O no hydrogen 3.101 N/A GLU 150.A N THR 146.A O no hydrogen 2.865 N/A SER 152.A N GLY 75.A O no hydrogen 3.224 N/A SER 152.A OG GLY 75.A O no hydrogen 2.827 N/A VAL 153.A N GLY 75.A O no hydrogen 3.297 N/A PHE 154.A N THR 185.A O no hydrogen 3.076 N/A LEU 155.A N GLY 77.A O no hydrogen 2.831 N/A LEU 156.A N ILE 187.A O no hydrogen 3.056 N/A ASP 157.A N VAL 79.A O no hydrogen 3.078 N/A GLU 158.A N VAL 189.A O no hydrogen 2.746 N/A SER 161.A N GLU 158.A O no hydrogen 3.335 N/A SER 161.A OG GLU 158.A OE1 no hydrogen 2.791 N/A SER 161.A OG HIS 191.A NE2 no hydrogen 3.222 N/A ARG 168.A N ASP 164.A O no hydrogen 2.685 N/A ARG 168.A NE LEU 160.A O no hydrogen 3.235 N/A ARG 168.A NH2 LEU 163.A O no hydrogen 3.034 N/A VAL 169.A N ALA 165.A O no hydrogen 3.237 N/A GLN 170.A N ALA 166.A O no hydrogen 3.377 N/A MET 171.A N LEU 167.A O no hydrogen 3.133 N/A ILE 173.A N GLN 170.A O no hydrogen 3.280 N/A GLU 174.A N GLN 170.A O no hydrogen 3.426 N/A ILE 175.A N MET 171.A O no hydrogen 2.883 N/A SER 176.A N ARG 172.A O no hydrogen 3.215 N/A ARG 177.A N ILE 173.A O no hydrogen 2.978 N/A ARG 177.A NE ILE 173.A O no hydrogen 3.568 N/A LEU 178.A N GLU 174.A O no hydrogen 3.298 N/A HIS 179.A N ILE 175.A O no hydrogen 2.931 N/A LYS 180.A N SER 176.A O no hydrogen 3.443 N/A LEU 182.A N LEU 178.A O no hydrogen 3.002 N/A GLY 183.A N HIS 179.A O no hydrogen 2.726 N/A THR 185.A OG1 ALA 1.A O no hydrogen 2.523 N/A MET 186.A N GLU 29.A O no hydrogen 2.992 N/A ILE 187.A N PHE 154.A O no hydrogen 2.895 N/A TYR 188.A N VAL 31.A O no hydrogen 2.648 N/A TYR 188.A OH GLU 195.A OE1 no hydrogen 2.607 N/A VAL 189.A N LEU 156.A O no hydrogen 2.930 N/A THR 190.A N PHE 33.A O no hydrogen 3.151 N/A THR 190.A OG1 GLU 195.A OE1 no hydrogen 3.263 N/A ASP 192.A N THR 190.A OG1 no hydrogen 2.980 N/A VAL 194.A N ASP 192.A OD1 no hydrogen 3.202 N/A MET 197.A N GLN 193.A O no hydrogen 3.003 N/A THR 198.A N VAL 194.A O no hydrogen 3.047 N/A THR 198.A OG1 VAL 194.A O no hydrogen 3.103 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.555 N/A LEU 199.A N GLU 195.A O no hydrogen 3.171 N/A ALA 200.A N ALA 196.A O no hydrogen 3.305 N/A ASP 201.A N PHE 30.A O no hydrogen 2.803 N/A LYS 202.A NZ ASP 24.A O no hydrogen 2.848 N/A ILE 203.A N GLY 215.A O no hydrogen 2.772 N/A VAL 204.A N VAL 32.A O no hydrogen 2.907 N/A VAL 205.A N GLN 213.A O no hydrogen 3.116 N/A LEU 206.A N VAL 34.A O no hydrogen 2.718 N/A ASP 207.A N ARG 210.A O no hydrogen 2.724 N/A ARG 210.A N ASP 207.A O no hydrogen 3.150 N/A ALA 212.A N VAL 205.A O no hydrogen 2.853 N/A GLN 213.A NE2 TYR 223.A O no hydrogen 3.095 N/A GLY 215.A N ILE 203.A O no hydrogen 3.198 N/A GLU 219.A N LYS 216.A O no hydrogen 2.937 N/A LEU 220.A N LYS 216.A O no hydrogen 3.045 N/A TYR 221.A N PRO 217.A O no hydrogen 3.094 N/A TYR 221.A OH GLU 287.A OE2 no hydrogen 2.624 N/A TYR 221.A OH HIS 288.A NE2 no hydrogen 3.138 N/A HIS 222.A N LEU 218.A O no hydrogen 3.180 N/A TYR 223.A N GLU 219.A O no hydrogen 2.830 N/A TYR 223.A OH HIS 365.A O no hydrogen 2.771 N/A ALA 225.A N GLN 213.A OE1 no hydrogen 2.578 N/A ARG 227.A N GLY 358.A O no hydrogen 2.765 N/A VAL 229.A N ASP 226.A OD1 no hydrogen 2.938 N/A ALA 230.A N ASP 226.A O no hydrogen 3.338 N/A GLY 231.A N ARG 227.A O no hydrogen 2.984 N/A PHE 232.A N VAL 229.A O no hydrogen 3.196 N/A ILE 233.A N VAL 229.A O no hydrogen 3.279 N/A GLY 234.A N GLN 193.A OE1 no hydrogen 3.229 N/A ASN 239.A N ILE 284.A O no hydrogen 2.865 N/A ASN 239.A ND2 ILE 284.A O no hydrogen 3.416 N/A ASN 239.A ND2 VAL 327.A O no hydrogen 3.007 N/A LEU 241.A N LEU 282.A O no hydrogen 2.839 N/A VAL 243.A N MET 280.A O no hydrogen 2.720 N/A LYS 244.A N GLU 256.A O no hydrogen 3.136 N/A VAL 245.A N ALA 278.A O no hydrogen 3.279 N/A THR 246.A N GLN 254.A O no hydrogen 3.057 N/A THR 246.A OG1 GLN 254.A O no hydrogen 3.422 N/A GLN 252.A N ALA 249.A O no hydrogen 3.088 N/A VAL 253.A N LEU 267.A O no hydrogen 2.802 N/A GLN 254.A N ALA 247.A O no hydrogen 3.227 N/A GLN 254.A NE2 THR 246.A OG1 no hydrogen 2.919 N/A VAL 255.A N VAL 265.A O no hydrogen 3.179 N/A GLU 256.A N LYS 244.A O no hydrogen 2.669 N/A LEU 257.A N GLN 263.A O no hydrogen 3.094 N/A GLN 263.A N ASN 261.A O no hydrogen 2.755 N/A GLN 264.A NE2 GLU 256.A OE1 no hydrogen 3.417 N/A VAL 265.A N VAL 255.A O no hydrogen 3.213 N/A LEU 267.A N VAL 253.A O no hydrogen 2.728 N/A GLU 270.A N ARG 362.A O no hydrogen 2.745 N/A SER 271.A OG ALA 249.A O no hydrogen 3.235 N/A VAL 274.A N SER 271.A O no hydrogen 3.362 N/A GLY 277.A N VAL 245.A O no hydrogen 2.696 N/A ALA 278.A N GLN 275.A O no hydrogen 3.467 N/A MET 280.A N VAL 243.A O no hydrogen 2.729 N/A SER 281.A N PHE 354.A O no hydrogen 3.062 N/A LEU 282.A N LEU 241.A O no hydrogen 2.708 N/A GLY 283.A N HIS 352.A O no hydrogen 2.720 N/A ILE 284.A N ASN 239.A O no hydrogen 2.996 N/A ARG 285.A NH1 ILE 233.A O no hydrogen 2.751 N/A ARG 285.A NH2 TYR 221.A O no hydrogen 2.672 N/A HIS 288.A N ARG 285.A O no hydrogen 2.880 N/A LEU 289.A N ARG 285.A O no hydrogen 3.332 N/A LEU 290.A N GLY 345.A O no hydrogen 3.000 N/A ILE 294.A N PRO 291.A O no hydrogen 3.125 N/A LEU 299.A N ILE 344.A O no hydrogen 2.818 N/A GLY 301.A N PHE 342.A O no hydrogen 3.205 N/A GLU 302.A N GLN 318.A O no hydrogen 3.141 N/A VAL 303.A N ALA 340.A O no hydrogen 2.982 N/A GLN 304.A N HIS 316.A O no hydrogen 2.761 N/A VAL 305.A N HIS 316.A O no hydrogen 3.346 N/A VAL 306.A N GLU 338.A OE1 no hydrogen 3.444 N/A GLU 307.A N GLN 314.A O no hydrogen 2.709 N/A GLN 308.A NE2 VAL 334.A O no hydrogen 3.183 N/A LEU 309.A N GLU 312.A O no hydrogen 3.288 N/A ASN 311.A ND2 LEU 309.A O no hydrogen 3.500 N/A THR 313.A N GLN 330.A O no hydrogen 2.743 N/A GLN 314.A N GLU 307.A O no hydrogen 3.030 N/A ILE 315.A N TYR 328.A O no hydrogen 2.771 N/A HIS 316.A N VAL 305.A O no hydrogen 2.893 N/A ILE 317.A N LEU 326.A O no hydrogen 2.769 N/A GLN 318.A N GLU 302.A O no hydrogen 2.669 N/A SER 321.A OG PRO 258.A O no hydrogen 3.478 N/A ILE 322.A N ILE 319.A O no hydrogen 3.254 N/A LEU 326.A N ILE 317.A O no hydrogen 2.862 N/A VAL 327.A N ASN 239.A OD1 no hydrogen 3.014 N/A TYR 328.A N ILE 315.A O no hydrogen 2.638 N/A ARG 329.A NE GLU 312.A OE1 no hydrogen 2.527 N/A ARG 329.A NH2 GLU 312.A OE2 no hydrogen 3.320 N/A GLN 330.A N THR 313.A O no hydrogen 2.980 N/A VAL 334.A N THR 313.A OG1 no hydrogen 3.287 N/A VAL 336.A N VAL 334.A O no hydrogen 3.294 N/A GLY 339.A N VAL 303.A O no hydrogen 2.940 N/A ALA 340.A N GLU 337.A O no hydrogen 3.375 N/A THR 341.A OG1 GLU 300.A OE2 no hydrogen 3.560 N/A PHE 342.A N GLY 301.A O no hydrogen 3.033 N/A ILE 344.A N LEU 299.A O no hydrogen 2.946 N/A GLY 345.A N LEU 290.A O no hydrogen 2.537 N/A LEU 346.A N VAL 297.A O no hydrogen 2.759 N/A ARG 350.A N PRO 347.A O no hydrogen 3.354 N/A ARG 350.A NE GLU 367.A OE1 no hydrogen 3.193 N/A ARG 350.A NE GLU 367.A OE2 no hydrogen 2.810 N/A ARG 350.A NH2 GLU 367.A OE1 no hydrogen 3.315 N/A CYS 351.A N PRO 348.A O no hydrogen 3.346 N/A CYS 351.A SG PRO 347.A O no hydrogen 3.313 N/A HIS 352.A N GLY 283.A O no hydrogen 2.773 N/A HIS 352.A NE2 HIS 222.A O no hydrogen 3.096 N/A PHE 354.A N SER 281.A O no hydrogen 2.979 N/A ARG 355.A N THR 359.A O no hydrogen 2.842 N/A ARG 355.A NE ASP 273.A O no hydrogen 3.411 N/A ARG 355.A NH1 ALA 360.A O no hydrogen 3.160 N/A ARG 355.A NH2 ARG 272.A O no hydrogen 2.767 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.882 N/A GLY 358.A N ARG 355.A O no hydrogen 2.894 N/A THR 359.A N ASP 357.A OD1 no hydrogen 3.480 N/A THR 359.A OG1 ASP 357.A OD1 no hydrogen 3.006 N/A THR 359.A OG1 ASP 357.A OD2 no hydrogen 3.047 N/A ALA 360.A N ALA 225.A O no hydrogen 2.890 N/A CYS 361.A N LEU 353.A O no hydrogen 2.759 N/A CYS 361.A SG LEU 353.A O no hydrogen 3.531 N/A ARG 363.A NE HIS 222.A O no hydrogen 3.432 N/A ARG 363.A NH1 GLU 349.A O no hydrogen 2.960 N/A ARG 363.A NH1 GLU 367.A OE2 no hydrogen 3.152 N/A ARG 363.A NH2 HIS 222.A O no hydrogen 3.212 N/A ARG 363.A NH2 GLU 367.A OE2 no hydrogen 2.800 N/A LEU 364.A N PRO 268.A O no hydrogen 3.070 N/A GLU 367.A N TYR 223.A OH no hydrogen 2.995 N/A