Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9bbw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLY 2.A O no hydrogen 3.527 N/A GLY 2.A N SER 1.A OG no hydrogen 2.433 N/A ARG 4.A N GLN 299.A OE1 no hydrogen 2.796 N/A PHE 8.A N SER 113.A OG no hydrogen 2.699 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.796 N/A GLU 14.A N SER 10.A O no hydrogen 2.912 N/A CYS 16.A N VAL 13.A O no hydrogen 3.079 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.351 N/A MET 17.A N GLU 14.A O no hydrogen 3.410 N/A VAL 18.A N GLY 29.A O no hydrogen 2.911 N/A GLN 19.A N GLN 69.A O no hydrogen 2.895 N/A VAL 20.A N LEU 27.A O no hydrogen 2.938 N/A THR 21.A N LEU 67.A O no hydrogen 2.802 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 2.944 N/A CYS 22.A N THR 25.A O no hydrogen 3.085 N/A CYS 22.A SG ASN 65.A O no hydrogen 3.759 N/A THR 25.A OG1 CYS 44.A O no hydrogen 2.726 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 2.944 N/A LEU 27.A N VAL 20.A O no hydrogen 3.079 N/A ASN 28.A N CYS 145.A O no hydrogen 2.973 N/A ASN 28.A ND2 CYS 117.A O no hydrogen 2.926 N/A ASN 28.A ND2 GLY 143.A O no hydrogen 3.041 N/A ASN 28.A ND2 CYS 145.A O no hydrogen 3.092 N/A GLY 29.A N VAL 18.A O no hydrogen 2.694 N/A LEU 30.A N TYR 37.A O no hydrogen 2.702 N/A TRP 31.A N CYS 16.A O no hydrogen 2.691 N/A LEU 32.A N VAL 35.A O no hydrogen 2.996 N/A ASP 33.A N THR 98.A OG1 no hydrogen 3.309 N/A VAL 35.A N LEU 32.A O no hydrogen 2.999 N/A VAL 36.A N LEU 89.A O no hydrogen 2.675 N/A TYR 37.A N LEU 30.A O no hydrogen 2.836 N/A CYS 38.A N LEU 87.A O no hydrogen 3.222 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.508 N/A CYS 38.A SG LEU 87.A O no hydrogen 3.977 N/A ARG 40.A N CYS 85.A O no hydrogen 3.106 N/A ARG 40.A NE ASP 187.A OD2 no hydrogen 2.659 N/A ARG 40.A NH2 ASP 187.A OD1 no hydrogen 3.149 N/A ARG 40.A NH2 ASP 187.A OD2 no hydrogen 3.496 N/A ILE 43.A N ARG 40.A O no hydrogen 3.401 N/A CYS 44.A N HIS 41.A O no hydrogen 3.197 N/A THR 45.A N ASP 48.A OD2 no hydrogen 2.735 N/A THR 45.A OG1 GLU 47.A OE2 no hydrogen 3.369 N/A THR 45.A OG1 ASP 48.A OD2 no hydrogen 2.537 N/A ASN 51.A N ASP 48.A O no hydrogen 2.961 N/A TYR 54.A OH ASP 187.A O no hydrogen 2.596 N/A ASP 56.A N ASN 53.A OD1 no hydrogen 3.208 N/A LEU 57.A N ASN 53.A O no hydrogen 2.871 N/A LEU 58.A N TYR 54.A O no hydrogen 2.873 N/A ILE 59.A N GLU 55.A O no hydrogen 3.239 N/A LYS 61.A N LEU 58.A O no hydrogen 2.990 N/A LYS 61.A NZ LEU 57.A O no hydrogen 3.545 N/A SER 62.A N ASN 65.A OD1 no hydrogen 2.807 N/A ASN 65.A N SER 62.A O no hydrogen 3.292 N/A PHE 66.A N ASN 63.A O no hydrogen 3.096 N/A LEU 67.A N THR 21.A O no hydrogen 2.760 N/A GLN 69.A N GLN 19.A O no hydrogen 2.856 N/A GLN 69.A NE2 GLY 71.A O no hydrogen 3.427 N/A ALA 70.A N VAL 73.A O no hydrogen 2.832 N/A LEU 75.A N VAL 68.A O no hydrogen 2.791 N/A ILE 78.A N LYS 90.A O no hydrogen 2.880 N/A HIS 80.A ND1 ASN 63.A OD1 no hydrogen 2.683 N/A SER 81.A N LYS 88.A O no hydrogen 2.978 N/A GLN 83.A N VAL 86.A O no hydrogen 2.859 N/A ASN 84.A ND2 GLU 178.A O no hydrogen 2.672 N/A CYS 85.A N GLY 179.A O no hydrogen 2.982 N/A CYS 85.A SG ASP 187.A OD2 no hydrogen 3.573 N/A VAL 86.A N GLN 83.A O no hydrogen 2.993 N/A LEU 87.A N CYS 38.A O no hydrogen 2.882 N/A LYS 88.A N SER 81.A O no hydrogen 2.781 N/A LEU 89.A N VAL 36.A O no hydrogen 2.778 N/A LYS 90.A N GLY 79.A O no hydrogen 2.683 N/A VAL 91.A N ASP 34.A O no hydrogen 2.850 N/A ASP 92.A N ARG 76.A O no hydrogen 3.216 N/A THR 93.A OG1 ASP 92.A OD1 no hydrogen 3.276 N/A ASN 95.A N ASP 33.A O no hydrogen 2.802 N/A ASN 95.A ND2 GLY 15.A O no hydrogen 3.259 N/A ASN 95.A ND2 TRP 31.A O no hydrogen 2.667 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 2.878 N/A THR 98.A N ASN 95.A O no hydrogen 3.400 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.580 N/A TYR 101.A OH ASP 33.A OD2 no hydrogen 2.830 N/A LYS 102.A N VAL 157.A O no hydrogen 2.970 N/A LYS 102.A NZ SER 158.A OG no hydrogen 2.987 N/A VAL 104.A N PHE 159.A O no hydrogen 3.096 N/A ARG 105.A NH1 ASP 176.A OD2 no hydrogen 2.941 N/A ARG 105.A NH1 ASN 180.A O no hydrogen 3.058 N/A ARG 105.A NH2 PHE 181.A O no hydrogen 2.954 N/A ILE 106.A N TYR 182.A OH no hydrogen 3.331 N/A GLN 107.A N GLN 110.A OE1 no hydrogen 2.741 N/A GLY 109.A N MET 130.A O no hydrogen 2.787 N/A GLN 110.A N GLN 107.A O no hydrogen 3.249 N/A THR 111.A OG1 ASP 295.A OD1 no hydrogen 3.307 N/A THR 111.A OG1 ASP 295.A OD2 no hydrogen 2.641 N/A PHE 112.A N CYS 128.A O no hydrogen 2.824 N/A SER 113.A N PHE 150.A O no hydrogen 2.948 N/A SER 113.A OG GLN 127.A OE1 no hydrogen 2.594 N/A VAL 114.A N TYR 126.A O no hydrogen 2.669 N/A LEU 115.A N VAL 148.A O no hydrogen 3.302 N/A ALA 116.A N GLY 124.A O no hydrogen 2.933 N/A CYS 117.A N SER 147.A OG no hydrogen 2.854 N/A CYS 117.A SG LEU 115.A O no hydrogen 3.737 N/A TYR 118.A N SER 121.A O no hydrogen 3.063 N/A GLY 120.A N ASN 28.A OD1 no hydrogen 2.583 N/A SER 121.A N TYR 118.A O no hydrogen 3.088 N/A SER 123.A N ALA 116.A O no hydrogen 2.833 N/A GLY 124.A N ALA 116.A O no hydrogen 3.402 N/A TYR 126.A N VAL 114.A O no hydrogen 3.033 N/A TYR 126.A OH SER 139.A O no hydrogen 3.147 N/A CYS 128.A N PHE 112.A O no hydrogen 2.769 N/A CYS 128.A SG GLN 127.A O no hydrogen 3.748 N/A CYS 128.A SG LYS 137.A O no hydrogen 3.635 N/A MET 130.A N GLN 110.A O no hydrogen 2.940 N/A ARG 131.A N THR 135.A O no hydrogen 2.950 N/A ARG 131.A NE ASP 197.A OD2 no hydrogen 2.958 N/A ARG 131.A NH1 ASP 289.A OD1 no hydrogen 3.025 N/A ARG 131.A NH1 ASP 289.A OD2 no hydrogen 2.691 N/A ARG 131.A NH1 GLU 290.A OE2 no hydrogen 3.406 N/A ARG 131.A NH2 ASP 289.A OD2 no hydrogen 2.700 N/A ASN 133.A ND2 GLY 195.A O no hydrogen 3.095 N/A PHE 134.A N ARG 131.A O no hydrogen 2.779 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.648 N/A ILE 136.A N HIS 172.A O no hydrogen 2.928 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 3.342 N/A SER 139.A N TYR 126.A OH no hydrogen 2.938 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.856 N/A SER 144.A N LEU 141.A O no hydrogen 3.282 N/A SER 144.A OG LEU 141.A O no hydrogen 2.978 N/A CYS 145.A SG HIS 41.A NE2 no hydrogen 3.640 N/A CYS 145.A SG HIS 164.A O no hydrogen 3.151 N/A GLY 146.A N HIS 163.A O no hydrogen 3.197 N/A SER 147.A N SER 144.A O no hydrogen 3.108 N/A SER 147.A OG LEU 115.A O no hydrogen 3.478 N/A SER 147.A OG SER 144.A O no hydrogen 2.807 N/A GLY 149.A N TYR 161.A O no hydrogen 2.889 N/A PHE 150.A N SER 113.A O no hydrogen 2.896 N/A ASN 151.A N SER 158.A O no hydrogen 2.872 N/A ASN 151.A ND2 THR 111.A O no hydrogen 3.266 N/A ASP 153.A N CYS 156.A O no hydrogen 2.799 N/A CYS 156.A N ASP 153.A O no hydrogen 2.998 N/A CYS 156.A SG LYS 100.A O no hydrogen 3.615 N/A VAL 157.A N LYS 100.A O no hydrogen 2.756 N/A SER 158.A N ASN 151.A O no hydrogen 2.643 N/A PHE 159.A N LYS 102.A O no hydrogen 3.084 N/A CYS 160.A N GLY 149.A O no hydrogen 3.038 N/A CYS 160.A SG GLY 149.A O no hydrogen 3.694 N/A TYR 161.A N GLY 149.A O no hydrogen 3.359 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 3.325 N/A MET 162.A N THR 175.A O no hydrogen 2.764 N/A HIS 163.A N SER 147.A O no hydrogen 2.905 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 3.325 N/A HIS 164.A N ALA 173.A O no hydrogen 3.313 N/A MET 165.A N ALA 173.A O no hydrogen 3.245 N/A LEU 167.A N VAL 171.A O no hydrogen 2.762 N/A GLY 170.A N LEU 167.A O no hydrogen 3.038 N/A HIS 172.A N ILE 136.A O no hydrogen 2.859 N/A ALA 173.A N MET 165.A O no hydrogen 3.100 N/A THR 175.A N MET 162.A O no hydrogen 3.059 N/A THR 175.A OG1 HIS 164.A NE2 no hydrogen 3.185 N/A THR 175.A OG1 ASP 176.A O no hydrogen 2.849 N/A ASP 176.A N ASN 180.A O no hydrogen 3.070 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 3.182 N/A GLY 179.A N ASP 176.A O no hydrogen 3.213 N/A ASN 180.A N ASP 176.A OD1 no hydrogen 2.818 N/A TYR 182.A N GLY 174.A O no hydrogen 2.928 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.551 N/A VAL 186.A N GLN 192.A OE1 no hydrogen 2.655 N/A ARG 188.A N VAL 186.A O no hydrogen 2.932 N/A ARG 188.A NE LEU 50.A O no hydrogen 2.411 N/A GLN 189.A N MET 49.A O no hydrogen 2.571 N/A THR 190.A N ARG 188.A O no hydrogen 2.754 N/A GLN 192.A NE2 VAL 186.A O no hydrogen 3.143 N/A GLN 192.A NE2 THR 190.A O no hydrogen 3.634 N/A THR 198.A OG1 GLU 240.A OE1 no hydrogen 2.159 N/A THR 199.A N ASN 238.A O no hydrogen 3.136 N/A THR 199.A OG1 ASN 238.A O no hydrogen 3.500 N/A ILE 200.A N ASP 289.A OD2 no hydrogen 3.282 N/A THR 201.A OG1 THR 199.A O no hydrogen 3.569 N/A THR 201.A OG1 GLU 240.A O no hydrogen 2.461 N/A ASN 203.A N ILE 200.A O no hydrogen 3.122 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 2.992 N/A ASN 203.A ND2 ASP 289.A O no hydrogen 2.914 N/A VAL 204.A N ILE 200.A O no hydrogen 3.156 N/A LEU 205.A N THR 201.A O no hydrogen 3.040 N/A ALA 206.A N VAL 202.A O no hydrogen 3.239 N/A TRP 207.A N ASN 203.A O no hydrogen 2.971 N/A LEU 208.A N VAL 204.A O no hydrogen 2.936 N/A TYR 209.A N LEU 205.A O no hydrogen 3.000 N/A TYR 209.A OH ILE 259.A O no hydrogen 2.655 N/A ALA 210.A N ALA 206.A O no hydrogen 3.052 N/A ALA 211.A N TRP 207.A O no hydrogen 3.070 N/A VAL 212.A N LEU 208.A O no hydrogen 3.099 N/A ILE 213.A N TYR 209.A O no hydrogen 3.086 N/A ASN 214.A N ALA 210.A O no hydrogen 3.111 N/A ASN 214.A N ALA 211.A O no hydrogen 3.164 N/A ASN 214.A ND2 ALA 210.A O no hydrogen 2.692 N/A GLY 215.A N VAL 212.A O no hydrogen 3.398 N/A TRP 218.A NE1 THR 280.A O no hydrogen 2.947 N/A LEU 220.A N ARG 217.A O no hydrogen 3.125 N/A ASN 221.A N SER 267.A OG no hydrogen 3.136 N/A ASN 221.A ND2 ALA 266.A O no hydrogen 3.687 N/A PHE 223.A N ASN 221.A OD1 no hydrogen 3.170 N/A THR 225.A OG1 THR 224.A O no hydrogen 2.670 N/A ASP 229.A N THR 226.A OG1 no hydrogen 2.748 N/A PHE 230.A N THR 226.A O no hydrogen 2.987 N/A ASN 231.A N LEU 227.A O no hydrogen 3.268 N/A ASN 231.A ND2 LEU 242.A O no hydrogen 3.109 N/A LEU 232.A N ASN 228.A O no hydrogen 3.172 N/A VAL 233.A N ASP 229.A O no hydrogen 3.447 N/A ALA 234.A N PHE 230.A O no hydrogen 2.706 N/A MET 235.A N ASN 231.A O no hydrogen 3.042 N/A TYR 237.A N VAL 233.A O no hydrogen 3.389 N/A ASN 238.A N MET 235.A O no hydrogen 3.504 N/A ASN 238.A ND2 ASP 197.A O no hydrogen 2.924 N/A TYR 239.A N ALA 234.A O no hydrogen 2.776 N/A GLU 240.A N THR 199.A O no hydrogen 2.885 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.445 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 3.194 N/A HIS 246.A N THR 243.A OG1 no hydrogen 3.384 N/A VAL 247.A N THR 243.A O no hydrogen 3.097 N/A ASP 248.A N GLN 244.A O no hydrogen 3.051 N/A ASP 248.A N ASP 245.A O no hydrogen 3.225 N/A ILE 249.A N ASP 245.A O no hydrogen 3.271 N/A LEU 250.A N HIS 246.A O no hydrogen 3.375 N/A GLY 251.A N ASP 248.A O no hydrogen 3.109 N/A SER 254.A N LEU 250.A O no hydrogen 2.904 N/A SER 254.A OG ILE 259.A O no hydrogen 2.766 N/A ALA 255.A N GLY 251.A O no hydrogen 2.881 N/A THR 257.A N LEU 253.A O no hydrogen 3.364 N/A THR 257.A OG1 LEU 253.A O no hydrogen 3.211 N/A ILE 259.A N THR 257.A OG1 no hydrogen 3.350 N/A MET 264.A N ALA 260.A O no hydrogen 3.016 N/A CYS 265.A N VAL 261.A O no hydrogen 2.947 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.184 N/A ALA 266.A N LEU 262.A O no hydrogen 3.305 N/A SER 267.A N ASP 263.A O no hydrogen 3.167 N/A SER 267.A OG PHE 219.A O no hydrogen 3.334 N/A SER 267.A OG ASN 221.A OD1 no hydrogen 2.871 N/A LEU 268.A N MET 264.A O no hydrogen 3.034 N/A LYS 269.A N CYS 265.A O no hydrogen 2.743 N/A LYS 269.A NZ GLN 273.A OE1 no hydrogen 3.311 N/A GLU 270.A N ALA 266.A O no hydrogen 3.000 N/A LEU 271.A N SER 267.A O no hydrogen 3.018 N/A LEU 272.A N LEU 268.A O no hydrogen 2.928 N/A GLN 273.A N LYS 269.A O no hydrogen 3.029 N/A ASN 274.A N GLU 270.A O no hydrogen 2.688 N/A ARG 279.A N MET 276.A O no hydrogen 3.080 N/A ILE 281.A N SER 284.A O no hydrogen 2.921 N/A LEU 282.A N ASP 216.A OD2 no hydrogen 2.622 N/A SER 284.A N ILE 281.A O no hydrogen 3.168 N/A SER 284.A OG LEU 286.A O no hydrogen 3.057 N/A SER 284.A OG GLU 288.A OE1 no hydrogen 2.662 N/A LEU 286.A N SER 284.A OG no hydrogen 3.247 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.308 N/A ASP 295.A N THR 292.A OG1 no hydrogen 3.042 N/A VAL 296.A N THR 292.A O no hydrogen 3.202 N/A VAL 297.A N PRO 293.A O no hydrogen 3.252 N/A ARG 298.A N PHE 294.A O no hydrogen 2.801 N/A GLN 299.A N ASP 295.A O no hydrogen 3.028 N/A GLN 299.A NE2 ARG 4.A O no hydrogen 2.842 N/A CYS 300.A N VAL 296.A O no hydrogen 2.847 N/A CYS 300.A SG VAL 296.A O no hydrogen 3.218 N/A GLY 302.A N ARG 298.A O no hydrogen 3.036 N/A