Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8x17_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLN 5.A OE1 no hydrogen 2.712 N/A GLU 2.A N SER 1.A OG no hydrogen 2.618 N/A GLN 5.A N GLU 2.A O no hydrogen 3.177 N/A GLN 5.A N GLN 5.A OE1 no hydrogen 3.236 N/A ARG 7.A N LEU 3.A O no hydrogen 2.924 N/A ARG 7.A NE LEU 3.A O no hydrogen 2.858 N/A GLU 9.A N GLN 5.A O no hydrogen 2.908 N/A ALA 10.A N LEU 6.A O no hydrogen 2.925 N/A GLU 11.A N ARG 7.A O no hydrogen 2.890 N/A GLN 12.A N GLN 8.A O no hydrogen 2.895 N/A LEU 13.A N GLU 9.A O no hydrogen 2.934 N/A LYS 14.A N ALA 10.A O no hydrogen 2.914 N/A ASN 15.A N GLU 11.A O no hydrogen 2.897 N/A GLN 16.A N GLN 12.A O no hydrogen 2.891 N/A ILE 17.A N LEU 13.A O no hydrogen 2.924 N/A ARG 18.A N LYS 14.A O no hydrogen 2.905 N/A ASP 19.A N ASN 15.A O no hydrogen 2.885 N/A ALA 20.A N GLN 16.A O no hydrogen 2.907 N/A ARG 21.A N ILE 17.A O no hydrogen 2.914 N/A ARG 21.A NH2 GLN 258.A OE1 no hydrogen 2.602 N/A LYS 22.A N ARG 18.A O no hydrogen 2.900 N/A ALA 23.A N ASP 19.A O no hydrogen 2.893 N/A CYS 24.A N ALA 20.A O no hydrogen 2.909 N/A ALA 25.A N ARG 21.A O no hydrogen 2.883 N/A THR 33.A N LEU 29.A O no hydrogen 2.906 N/A ASN 34.A N SER 30.A O no hydrogen 3.106 N/A ILE 36.A N THR 33.A O no hydrogen 2.882 N/A ILE 42.A N ALA 304.A O no hydrogen 2.890 N/A ARG 47.A N ILE 337.A O no hydrogen 3.047 N/A ARG 47.A NE ASN 339.A OD1 no hydrogen 3.066 N/A ARG 48.A NE TYR 84.A O no hydrogen 3.081 N/A ARG 48.A NH1 ARG 47.A O no hydrogen 3.078 N/A LEU 50.A N LEU 335.A O no hydrogen 2.676 N/A LEU 54.A N ASP 75.A OD2 no hydrogen 3.355 N/A LYS 56.A NZ TYR 58.A OH no hydrogen 3.458 N/A TYR 58.A N ALA 72.A O no hydrogen 2.978 N/A ALA 59.A N ALA 72.A O no hydrogen 3.342 N/A HIS 61.A N VAL 70.A O no hydrogen 3.026 N/A GLY 63.A N LEU 68.A O no hydrogen 2.646 N/A THR 64.A OG1 PRO 106.A O no hydrogen 2.452 N/A SER 66.A N GLY 63.A O no hydrogen 2.913 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.080 N/A ARG 67.A NE ASP 82.A OD1 no hydrogen 2.641 N/A ARG 67.A NH2 ASP 82.A OD2 no hydrogen 3.235 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.116 N/A LEU 69.A N TRP 81.A O no hydrogen 3.293 N/A VAL 70.A N HIS 61.A O no hydrogen 3.072 N/A SER 71.A N ILE 79.A O no hydrogen 3.132 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.961 N/A ALA 72.A N ALA 59.A O no hydrogen 2.697 N/A SER 73.A OG LYS 56.A O no hydrogen 3.291 N/A SER 73.A OG ASP 75.A OD2 no hydrogen 2.576 N/A GLN 74.A N LYS 56.A O no hydrogen 3.333 N/A ASP 75.A N SER 73.A OG no hydrogen 3.308 N/A GLY 76.A N SER 73.A O no hydrogen 3.344 N/A LEU 78.A N ILE 92.A O no hydrogen 3.120 N/A ILE 79.A N SER 71.A O no hydrogen 3.295 N/A ILE 80.A N HIS 90.A O no hydrogen 3.090 N/A TRP 81.A N LEU 69.A O no hydrogen 2.839 N/A ASP 82.A N ASN 87.A O no hydrogen 2.829 N/A SER 83.A N ARG 67.A O no hydrogen 2.987 N/A SER 83.A OG ARG 67.A O no hydrogen 2.804 N/A THR 85.A OG1 ASP 82.A OD2 no hydrogen 2.804 N/A THR 86.A N ASP 82.A O no hydrogen 2.335 N/A THR 86.A OG1 THR 85.A O no hydrogen 2.367 N/A VAL 89.A N ILE 80.A O no hydrogen 2.701 N/A ILE 92.A N LEU 78.A O no hydrogen 3.017 N/A LEU 94.A N GLY 76.A O no hydrogen 3.038 N/A ARG 95.A NH1 GLU 137.A OE2 no hydrogen 2.544 N/A VAL 99.A N SER 97.A O no hydrogen 2.930 N/A MET 100.A N GLY 114.A O no hydrogen 2.779 N/A THR 101.A N GLY 114.A O no hydrogen 2.996 N/A CYS 102.A SG VAL 70.A O no hydrogen 3.963 N/A ALA 103.A N ALA 112.A O no hydrogen 3.032 N/A TYR 104.A N HIS 61.A ND1 no hydrogen 3.290 N/A ALA 105.A N TYR 110.A O no hydrogen 3.015 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 2.688 N/A SER 107.A OG ASP 153.A OD2 no hydrogen 3.333 N/A GLY 108.A N ALA 105.A O no hydrogen 3.191 N/A VAL 111.A N TYR 123.A O no hydrogen 2.986 N/A ALA 112.A N ALA 103.A O no hydrogen 2.945 N/A CYS 113.A N SER 121.A O no hydrogen 3.284 N/A CYS 113.A SG THR 101.A O no hydrogen 3.463 N/A GLY 114.A N THR 101.A O no hydrogen 2.869 N/A LEU 116.A N TRP 98.A O no hydrogen 2.916 N/A ILE 119.A N ASP 117.A OD1 no hydrogen 3.312 N/A CYS 120.A N LEU 138.A O no hydrogen 2.648 N/A CYS 120.A SG CYS 113.A O no hydrogen 3.314 N/A CYS 120.A SG SER 121.A O no hydrogen 3.992 N/A SER 121.A OG CYS 120.A O no hydrogen 2.717 N/A ILE 122.A N ARG 136.A O no hydrogen 2.833 N/A TYR 123.A N VAL 111.A O no hydrogen 2.828 N/A ASN 124.A N ARG 133.A O no hydrogen 2.938 N/A LEU 125.A N ASN 109.A O no hydrogen 2.855 N/A THR 127.A OG1 ASN 131.A O no hydrogen 2.815 N/A GLY 130.A N THR 127.A O no hydrogen 3.145 N/A SER 135.A N ILE 122.A O no hydrogen 2.497 N/A SER 135.A OG ILE 122.A O no hydrogen 3.478 N/A ARG 136.A N ILE 122.A O no hydrogen 3.403 N/A ARG 136.A NE ILE 170.A O no hydrogen 2.856 N/A HIS 141.A NE2 THR 158.A O no hydrogen 3.242 N/A LEU 145.A N GLY 115.A O no hydrogen 2.744 N/A SER 146.A N SER 159.A O no hydrogen 3.305 N/A SER 146.A OG SER 159.A OG no hydrogen 2.742 N/A SER 146.A OG VAL 186.A O no hydrogen 2.269 N/A CYS 147.A SG LEU 189.A O no hydrogen 3.463 N/A CYS 148.A SG THR 101.A OG1 no hydrogen 3.685 N/A ARG 149.A N VAL 157.A O no hydrogen 3.077 N/A ARG 149.A NH1 CYS 102.A O no hydrogen 3.138 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 2.541 N/A LEU 151.A N GLN 155.A O no hydrogen 2.967 N/A ASP 152.A N GLN 155.A O no hydrogen 2.951 N/A GLN 155.A N ASP 152.A O no hydrogen 3.217 N/A ILE 156.A N TRP 168.A O no hydrogen 3.298 N/A VAL 157.A N ARG 149.A O no hydrogen 2.921 N/A THR 158.A N ALA 166.A O no hydrogen 3.015 N/A SER 159.A N CYS 147.A O no hydrogen 2.612 N/A SER 159.A OG SER 146.A OG no hydrogen 2.742 N/A SER 159.A OG CYS 147.A O no hydrogen 2.885 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.880 N/A SER 160.A OG ASP 162.A OD2 no hydrogen 2.628 N/A SER 160.A OG THR 164.A O no hydrogen 3.396 N/A THR 163.A OG1 HIS 182.A O no hydrogen 3.264 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.053 N/A CYS 165.A N PHE 179.A O no hydrogen 2.590 N/A ALA 166.A N THR 158.A O no hydrogen 3.224 N/A LEU 167.A N THR 177.A O no hydrogen 2.838 N/A TRP 168.A N ILE 156.A O no hydrogen 2.862 N/A ASP 169.A N GLN 174.A O no hydrogen 2.856 N/A ILE 170.A N ASN 154.A O no hydrogen 3.193 N/A GLU 171.A N ASP 169.A OD1 no hydrogen 3.130 N/A THR 172.A OG1 ASP 169.A OD2 no hydrogen 3.300 N/A GLY 173.A N ASP 169.A O no hydrogen 2.587 N/A GLN 174.A NE2 THR 172.A OG1 no hydrogen 3.055 N/A THR 176.A N LEU 167.A O no hydrogen 2.513 N/A THR 177.A N LEU 167.A O no hydrogen 3.467 N/A THR 178.A OG1 GLN 175.A OE1 no hydrogen 2.783 N/A PHE 179.A N CYS 165.A O no hydrogen 2.590 N/A HIS 182.A NE2 SER 200.A OG no hydrogen 2.414 N/A THR 183.A N ASP 204.A OD2 no hydrogen 3.221 N/A THR 183.A OG1 ASP 204.A OD2 no hydrogen 2.705 N/A MET 187.A N GLY 201.A O no hydrogen 2.974 N/A ALA 192.A N LEU 197.A O no hydrogen 2.848 N/A THR 195.A N ALA 192.A O no hydrogen 2.919 N/A THR 195.A OG1 ASP 194.A O no hydrogen 2.273 N/A ARG 196.A N ASP 194.A OD1 no hydrogen 2.610 N/A LEU 197.A N ASP 194.A OD1 no hydrogen 3.262 N/A PHE 198.A N TRP 210.A O no hydrogen 3.108 N/A VAL 199.A N SER 190.A O no hydrogen 3.323 N/A SER 200.A N LYS 208.A O no hydrogen 3.053 N/A SER 200.A OG HIS 182.A NE2 no hydrogen 2.414 N/A SER 200.A OG LYS 208.A O no hydrogen 3.537 N/A GLY 201.A N SER 188.A O no hydrogen 3.293 N/A CYS 203.A N ASP 185.A O no hydrogen 2.810 N/A CYS 203.A SG ASP 185.A O no hydrogen 3.650 N/A SER 206.A N ASP 204.A OD1 no hydrogen 3.153 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.831 N/A SER 206.A OG ASP 204.A OD2 no hydrogen 3.088 N/A ALA 207.A N PHE 221.A O no hydrogen 2.955 N/A LYS 208.A N SER 200.A O no hydrogen 3.191 N/A LYS 208.A NZ THR 220.A OG1 no hydrogen 3.253 N/A LEU 209.A N GLN 219.A O no hydrogen 2.968 N/A TRP 210.A N PHE 198.A O no hydrogen 2.990 N/A VAL 212.A N ARG 196.A O no hydrogen 3.186 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.625 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.363 N/A CYS 217.A SG THR 220.A OG1 no hydrogen 3.563 N/A ARG 218.A N LEU 209.A O no hydrogen 2.892 N/A ARG 218.A NE ASP 211.A OD1 no hydrogen 3.440 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 2.813 N/A PHE 221.A N ALA 207.A O no hydrogen 2.690 N/A HIS 224.A NE2 THR 242.A O no hydrogen 3.142 N/A HIS 224.A NE2 THR 242.A OG1 no hydrogen 2.455 N/A SER 226.A OG ASP 227.A OD2 no hydrogen 3.461 N/A ASP 227.A N SER 226.A OG no hydrogen 2.767 N/A ILE 228.A N ALA 202.A O no hydrogen 3.103 N/A ASN 229.A N GLY 243.A O no hydrogen 2.614 N/A ASN 229.A ND2 ASP 245.A OD1 no hydrogen 3.467 N/A ALA 230.A N GLY 243.A O no hydrogen 3.150 N/A CYS 232.A N ALA 241.A O no hydrogen 3.169 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.708 N/A PHE 234.A N ALA 239.A O no hydrogen 2.495 N/A GLY 237.A N PHE 234.A O no hydrogen 2.641 N/A ASN 238.A N ASN 236.A OD1 no hydrogen 2.624 N/A PHE 240.A N PHE 252.A O no hydrogen 2.689 N/A ALA 241.A N CYS 232.A O no hydrogen 2.866 N/A THR 242.A N ARG 250.A O no hydrogen 3.016 N/A THR 242.A OG1 HIS 224.A NE2 no hydrogen 2.455 N/A THR 242.A OG1 ARG 250.A O no hydrogen 2.908 N/A GLY 243.A N ALA 230.A O no hydrogen 2.848 N/A SER 244.A N THR 248.A O no hydrogen 3.371 N/A SER 244.A OG ASP 227.A O no hydrogen 2.884 N/A SER 244.A OG ASP 246.A OD1 no hydrogen 3.006 N/A ASP 245.A N ASP 227.A O no hydrogen 3.180 N/A THR 248.A N ASP 246.A OD1 no hydrogen 3.202 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.297 N/A THR 248.A OG1 ASP 246.A OD2 no hydrogen 2.960 N/A CYS 249.A N TYR 263.A O no hydrogen 3.183 N/A CYS 249.A SG THR 242.A O no hydrogen 3.507 N/A ARG 250.A N THR 242.A O no hydrogen 3.258 N/A LEU 251.A N MET 261.A O no hydrogen 3.251 N/A PHE 252.A N PHE 240.A O no hydrogen 2.654 N/A LEU 254.A N ASN 238.A O no hydrogen 2.655 N/A ARG 255.A N ASP 253.A OD1 no hydrogen 2.566 N/A ARG 255.A NE ASP 253.A OD1 no hydrogen 2.762 N/A ARG 255.A NE ASP 253.A OD2 no hydrogen 3.422 N/A ARG 255.A NH2 ASP 253.A OD2 no hydrogen 2.914 N/A ALA 256.A N ASP 253.A OD1 no hydrogen 3.210 N/A ASP 257.A N ASP 253.A O no hydrogen 2.750 N/A LEU 260.A N LEU 251.A O no hydrogen 2.799 N/A THR 262.A OG1 CYS 249.A O no hydrogen 3.537 N/A TYR 263.A N CYS 249.A O no hydrogen 2.692 N/A TYR 263.A OH ALA 298.A O no hydrogen 2.728 N/A CYS 270.A SG GLY 271.A O no hydrogen 3.640 N/A CYS 270.A SG ASP 290.A OD2 no hydrogen 3.052 N/A ILE 272.A N SER 244.A O no hydrogen 3.059 N/A THR 273.A N GLY 287.A O no hydrogen 2.551 N/A THR 273.A OG1 GLY 287.A O no hydrogen 2.774 N/A THR 273.A OG1 VAL 314.A O no hydrogen 2.451 N/A SER 274.A N GLY 287.A O no hydrogen 3.168 N/A SER 276.A N LEU 285.A O no hydrogen 2.860 N/A SER 276.A OG PHE 277.A O no hydrogen 3.537 N/A SER 278.A N LEU 283.A O no hydrogen 3.203 N/A SER 278.A OG LEU 283.A O no hydrogen 3.539 N/A GLY 281.A N SER 278.A O no hydrogen 2.989 N/A GLY 281.A N SER 278.A OG no hydrogen 3.233 N/A ARG 282.A NE ASP 297.A OD1 no hydrogen 2.764 N/A ARG 282.A NH2 ASP 37.A O no hydrogen 2.655 N/A ARG 282.A NH2 ASP 297.A OD2 no hydrogen 3.219 N/A LEU 283.A N SER 278.A OG no hydrogen 3.357 N/A LEU 284.A N TRP 296.A O no hydrogen 2.501 N/A LEU 285.A N SER 276.A O no hydrogen 3.036 N/A ALA 286.A N ASN 294.A O no hydrogen 3.014 N/A GLY 287.A N SER 274.A O no hydrogen 2.725 N/A TYR 288.A N ASN 292.A O no hydrogen 3.462 N/A ASP 289.A N GLY 271.A O no hydrogen 2.942 N/A ASN 292.A N ASP 290.A OD1 no hydrogen 2.564 N/A CYS 293.A SG ALA 286.A O no hydrogen 3.433 N/A ASN 294.A N ALA 286.A O no hydrogen 3.142 N/A VAL 295.A N GLY 305.A O no hydrogen 2.719 N/A TRP 296.A N LEU 284.A O no hydrogen 2.548 N/A ASP 297.A N ASP 302.A O no hydrogen 2.934 N/A ALA 298.A N ARG 282.A O no hydrogen 2.624 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 3.133 N/A ALA 301.A N ASP 297.A O no hydrogen 2.637 N/A ARG 303.A NE HIS 265.A ND1 no hydrogen 3.327 N/A ALA 304.A N VAL 295.A O no hydrogen 2.743 N/A LEU 307.A N CYS 293.A O no hydrogen 2.498 N/A ASP 311.A N ASP 332.A OD2 no hydrogen 3.496 N/A ARG 313.A N ASN 312.A OD1 no hydrogen 2.605 N/A ARG 313.A NE ASP 289.A O no hydrogen 3.212 N/A VAL 314.A N ASP 290.A O no hydrogen 3.501 N/A SER 315.A N GLY 329.A O no hydrogen 2.988 N/A SER 315.A OG ILE 57.A O no hydrogen 2.300 N/A CYS 316.A SG SER 315.A OG no hydrogen 3.569 N/A GLY 318.A N ALA 327.A O no hydrogen 3.047 N/A VAL 319.A N SER 276.A OG no hydrogen 3.372 N/A THR 320.A N ALA 325.A O no hydrogen 2.950 N/A THR 320.A OG1 ASP 322.A OD1 no hydrogen 2.570 N/A THR 320.A OG1 ALA 325.A O no hydrogen 2.951 N/A ASP 322.A N SER 66.A OG no hydrogen 3.333 N/A GLY 323.A N THR 320.A O no hydrogen 3.000 N/A MET 324.A N ASP 322.A OD1 no hydrogen 3.012 N/A ALA 325.A N THR 320.A OG1 no hydrogen 3.170 N/A VAL 326.A N TRP 338.A O no hydrogen 2.860 N/A ALA 327.A N GLY 318.A O no hydrogen 2.925 N/A THR 328.A N LYS 336.A O no hydrogen 3.047 N/A GLY 329.A N CYS 316.A O no hydrogen 3.073 N/A SER 330.A OG ARG 313.A O no hydrogen 3.145 N/A SER 330.A OG ASP 332.A OD2 no hydrogen 2.649 N/A TRP 331.A N ARG 313.A O no hydrogen 2.812 N/A SER 333.A N SER 330.A O no hydrogen 3.293 N/A SER 333.A OG HIS 53.A O no hydrogen 3.553 N/A SER 333.A OG ASP 332.A O no hydrogen 2.264 N/A PHE 334.A N ASP 332.A OD1 no hydrogen 2.902 N/A LEU 335.A N LEU 50.A O no hydrogen 3.039 N/A LYS 336.A N THR 328.A O no hydrogen 3.349 N/A LYS 336.A NZ GLY 309.A O no hydrogen 2.729 N/A ILE 337.A N ARG 48.A O no hydrogen 2.934 N/A TRP 338.A N VAL 326.A O no hydrogen 2.848 N/A ASN 339.A ND2 MET 324.A O no hydrogen 3.663 N/A