Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 102.A O no hydrogen 3.184 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.562 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.816 N/A MET 4.A N CYS 100.A O no hydrogen 2.992 N/A ARG 5.A N TYR 26.A O no hydrogen 3.037 N/A ARG 5.A NH1 MET 4.A O no hydrogen 3.115 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 3.016 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 3.198 N/A TYR 6.A N SER 98.A O no hydrogen 2.866 N/A PHE 7.A N VAL 24.A O no hydrogen 2.790 N/A GLU 8.A N GLN 96.A O no hydrogen 2.822 N/A THR 9.A N ILE 22.A O no hydrogen 2.895 N/A ALA 10.A N LEU 94.A O no hydrogen 2.833 N/A VAL 11.A N ARG 20.A O no hydrogen 2.756 N/A SER 12.A N HIS 92.A O no hydrogen 2.841 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 2.877 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.768 N/A LEU 16.A N ARG 13.A O no hydrogen 3.461 N/A ARG 20.A N VAL 11.A O no hydrogen 2.966 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.817 N/A ARG 20.A NE ASP 36.A OD2 no hydrogen 3.427 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.909 N/A TYR 21.A N SER 37.A OG no hydrogen 2.933 N/A TYR 21.A OH GLU 8.A OE1 no hydrogen 2.622 N/A ILE 22.A N THR 9.A O no hydrogen 2.868 N/A SER 23.A N PHE 35.A O no hydrogen 2.873 N/A SER 23.A OG TYR 44.A OH no hydrogen 2.694 N/A VAL 24.A N PHE 7.A O no hydrogen 2.957 N/A GLY 25.A N VAL 33.A O no hydrogen 3.160 N/A TYR 26.A N ARG 5.A O no hydrogen 2.772 N/A VAL 27.A N LYS 30.A O no hydrogen 2.992 N/A ASP 28.A N SER 3.A O no hydrogen 2.770 N/A LYS 30.A N VAL 27.A O no hydrogen 3.108 N/A LYS 30.A NZ GLU 31.A O no hydrogen 2.925 N/A LYS 30.A NZ ARG 47.A O no hydrogen 3.275 N/A PHE 32.A N GLY 25.A O no hydrogen 2.905 N/A ARG 34.A NH1 GLU 31.A OE2 no hydrogen 3.187 N/A PHE 35.A N SER 23.A O no hydrogen 2.772 N/A SER 37.A N TYR 21.A O no hydrogen 2.994 N/A SER 37.A OG TYR 21.A O no hydrogen 3.368 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.943 N/A ALA 39.A N ASP 36.A O no hydrogen 3.261 N/A TYR 44.A N THR 63.A OG1 no hydrogen 3.120 N/A TYR 44.A OH SER 23.A OG no hydrogen 2.694 N/A GLU 45.A N ARG 34.A O no hydrogen 2.823 N/A ARG 47.A N PHE 32.A O no hydrogen 2.730 N/A MET 51.A N ALA 48.A O no hydrogen 3.067 N/A GLU 52.A N PRO 49.A O no hydrogen 2.854 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 3.040 N/A GLU 54.A N MET 51.A O no hydrogen 3.186 N/A TYR 58.A N GLY 55.A O no hydrogen 2.958 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.717 N/A GLU 60.A N PRO 56.A O no hydrogen 3.098 N/A ARG 61.A N GLU 57.A O no hydrogen 2.861 N/A GLU 62.A N TYR 58.A O no hydrogen 2.881 N/A THR 63.A N TRP 59.A O no hydrogen 2.942 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.664 N/A GLN 64.A N GLU 60.A O no hydrogen 3.091 N/A GLN 64.A NE2 GLU 60.A OE2 no hydrogen 3.244 N/A LYS 65.A N ARG 61.A O no hydrogen 3.205 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 2.754 N/A LYS 65.A NZ GLU 162.A OE2 no hydrogen 3.303 N/A ALA 66.A N GLU 62.A O no hydrogen 3.139 N/A LYS 67.A N THR 63.A O no hydrogen 3.273 N/A LYS 67.A NZ PRO 42.A O no hydrogen 2.930 N/A GLY 68.A N GLN 64.A O no hydrogen 3.276 N/A GLN 69.A N LYS 65.A O no hydrogen 2.915 N/A GLN 69.A NE2 GLU 8.A OE1 no hydrogen 2.809 N/A GLU 70.A N ALA 66.A O no hydrogen 2.727 N/A GLN 71.A N LYS 67.A O no hydrogen 3.451 N/A TRP 72.A N GLY 68.A O no hydrogen 3.142 N/A PHE 73.A N GLN 69.A O no hydrogen 3.019 N/A ARG 74.A N GLU 70.A O no hydrogen 3.004 N/A VAL 75.A N GLN 71.A O no hydrogen 3.031 N/A SER 76.A N TRP 72.A O no hydrogen 3.008 N/A SER 76.A OG TRP 72.A O no hydrogen 2.749 N/A LEU 77.A N PHE 73.A O no hydrogen 2.898 N/A ARG 78.A N ARG 74.A O no hydrogen 3.189 N/A ASN 79.A N VAL 75.A O no hydrogen 2.877 N/A LEU 80.A N SER 76.A O no hydrogen 2.969 N/A LEU 81.A N LEU 77.A O no hydrogen 3.355 N/A TYR 83.A N ASN 79.A O no hydrogen 3.148 N/A TYR 84.A N LEU 80.A O no hydrogen 3.201 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.395 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.603 N/A ASN 85.A N GLY 82.A O no hydrogen 3.099 N/A GLN 86.A N LEU 81.A O no hydrogen 2.856 N/A GLN 86.A NE2 TYR 117.A OH no hydrogen 2.581 N/A SER 91.A OG SER 12.A O no hydrogen 2.361 N/A HIS 92.A ND1 GLU 118.A OE2 no hydrogen 2.648 N/A THR 93.A N GLU 118.A OE1 no hydrogen 3.118 N/A LEU 94.A N ALA 10.A O no hydrogen 2.982 N/A GLN 95.A N ALA 116.A O no hydrogen 3.001 N/A GLN 96.A N GLU 8.A O no hydrogen 2.938 N/A MET 97.A N GLN 114.A O no hydrogen 2.954 N/A SER 98.A N TYR 6.A O no hydrogen 3.153 N/A GLY 99.A N TYR 112.A O no hydrogen 3.170 N/A CYS 100.A N MET 4.A O no hydrogen 3.056 N/A ASP 101.A N ARG 110.A O no hydrogen 2.772 N/A LEU 102.A N HIS 2.A O no hydrogen 2.735 N/A GLY 103.A N ARG 107.A O no hydrogen 2.747 N/A TRP 106.A N GLY 103.A O no hydrogen 2.922 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.436 N/A LEU 109.A N ASP 101.A O no hydrogen 2.781 N/A ARG 110.A N ASP 101.A O no hydrogen 3.371 N/A TYR 112.A N GLY 99.A O no hydrogen 2.741 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.897 N/A GLN 114.A N MET 97.A O no hydrogen 2.801 N/A PHE 115.A N ILE 123.A O no hydrogen 2.865 N/A ALA 116.A N GLN 95.A O no hydrogen 3.096 N/A TYR 117.A N ARG 120.A O no hydrogen 2.928 N/A GLU 118.A N THR 93.A O no hydrogen 3.061 N/A ARG 120.A N TYR 117.A O no hydrogen 3.043 N/A TYR 122.A N PHE 115.A O no hydrogen 2.882 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.682 N/A ALA 124.A N THR 133.A O no hydrogen 3.033 N/A LEU 125.A N LEU 113.A O no hydrogen 2.947 N/A ASN 126.A N THR 131.A O no hydrogen 2.956 N/A ASN 126.A ND2 THR 133.A OG1 no hydrogen 2.616 N/A LEU 129.A N ASN 126.A O no hydrogen 2.670 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.979 N/A THR 131.A N ASP 128.A OD1 no hydrogen 3.260 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 3.168 N/A THR 133.A N ALA 124.A O no hydrogen 2.778 N/A ALA 135.A N TYR 122.A O no hydrogen 2.930 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.936 N/A GLN 140.A N ASP 136.A O no hydrogen 3.167 N/A GLN 140.A N MET 137.A O no hydrogen 3.123 N/A GLN 140.A NE2 ASP 136.A O no hydrogen 3.556 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.682 N/A ARG 143.A N ALA 139.A O no hydrogen 2.750 N/A ARG 143.A NE GLN 140.A OE1 no hydrogen 3.018 N/A ARG 143.A NH1 GLU 147.A OE2 no hydrogen 3.125 N/A ARG 143.A NH2 GLN 140.A OE1 no hydrogen 2.660 N/A ARG 144.A N GLN 140.A O no hydrogen 2.949 N/A LYS 145.A N ILE 141.A O no hydrogen 3.110 N/A TRP 146.A N THR 142.A O no hydrogen 2.951 N/A GLU 147.A N ARG 143.A O no hydrogen 2.929 N/A GLN 148.A N ARG 144.A O no hydrogen 3.098 N/A SER 149.A N TRP 146.A O no hydrogen 3.487 N/A SER 149.A OG LYS 145.A O no hydrogen 3.182 N/A SER 149.A OG TRP 146.A O no hydrogen 3.414 N/A ALA 151.A N TRP 146.A O no hydrogen 3.256 N/A HIS 154.A N ALA 151.A O no hydrogen 3.034 N/A TYR 155.A N ALA 151.A O no hydrogen 3.448 N/A LYS 156.A N ALA 152.A O no hydrogen 2.795 N/A LYS 156.A NZ GLU 160.A OE2 no hydrogen 3.146 N/A ALA 157.A N GLU 153.A O no hydrogen 3.118 N/A TYR 158.A N HIS 154.A O no hydrogen 3.198 N/A LEU 159.A N TYR 155.A O no hydrogen 2.929 N/A GLU 160.A N LYS 156.A O no hydrogen 3.065 N/A GLY 161.A N ALA 157.A O no hydrogen 3.123 N/A GLY 161.A N TYR 158.A O no hydrogen 3.341 N/A CYS 163.A N TYR 158.A O no hydrogen 3.053 N/A GLU 165.A N GLY 161.A O no hydrogen 3.053 N/A TRP 166.A N GLU 162.A O no hydrogen 3.110 N/A LEU 167.A N CYS 163.A O no hydrogen 3.010 N/A HIS 168.A N VAL 164.A O no hydrogen 3.033 N/A HIS 168.A ND1 VAL 164.A O no hydrogen 2.908 N/A ARG 169.A N GLU 165.A O no hydrogen 3.190 N/A TYR 170.A N TRP 166.A O no hydrogen 2.808 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.717 N/A LEU 171.A N LEU 167.A O no hydrogen 2.903 N/A LYS 172.A N HIS 168.A O no hydrogen 3.020 N/A ASN 173.A N ARG 169.A O no hydrogen 2.745 N/A GLY 174.A N TYR 170.A O no hydrogen 2.681 N/A ASN 175.A ND2 LEU 171.A O no hydrogen 3.544 N/A THR 177.A N GLY 174.A O no hydrogen 3.073 N/A LEU 178.A N GLY 174.A O no hydrogen 2.875 N/A LEU 179.A N ASN 175.A O no hydrogen 3.029 N/A ARG 180.A NH1 ASP 182.A OD1 no hydrogen 3.409 N/A ARG 180.A NH1 ASP 182.A OD2 no hydrogen 3.015 N/A ARG 180.A NH2 ASP 182.A OD1 no hydrogen 2.978 N/A ASP 182.A N TYR 208.A O no hydrogen 2.781 N/A LYS 185.A N LEU 205.A O no hydrogen 2.840 N/A HIS 187.A N TRP 203.A O no hydrogen 3.375 N/A THR 189.A N ARG 201.A O no hydrogen 2.816 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.554 N/A HIS 190.A NE2 GLU 253.A OE1 no hydrogen 2.763 N/A HIS 191.A N THR 199.A O no hydrogen 3.105 N/A ARG 193.A N GLU 197.A O no hydrogen 3.191 N/A ARG 193.A NH1 SER 194.A OG no hydrogen 2.693 N/A SER 194.A N GLU 197.A O no hydrogen 3.168 N/A GLU 197.A N SER 194.A O no hydrogen 2.598 N/A VAL 198.A N VAL 248.A O no hydrogen 2.757 N/A THR 199.A N HIS 191.A O no hydrogen 2.961 N/A LEU 200.A N VAL 246.A O no hydrogen 2.859 N/A ARG 201.A N THR 189.A O no hydrogen 3.130 N/A CYS 202.A N ALA 244.A O no hydrogen 2.802 N/A TRP 203.A N HIS 187.A O no hydrogen 2.816 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 2.731 N/A ALA 204.A N LYS 242.A O no hydrogen 2.832 N/A LEU 205.A N LYS 185.A O no hydrogen 2.892 N/A PHE 207.A N PHE 240.A O no hydrogen 3.232 N/A TYR 208.A N ASP 182.A O no hydrogen 2.827 N/A THR 213.A N TYR 261.A O no hydrogen 3.011 N/A THR 215.A N ARG 259.A O no hydrogen 3.063 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.896 N/A LEU 218.A N GLU 221.A O no hydrogen 3.181 N/A GLU 221.A N LEU 218.A O no hydrogen 2.979 N/A GLU 228.A N SER 245.A O no hydrogen 2.787 N/A VAL 230.A N TRP 243.A O no hydrogen 3.253 N/A ARG 233.A N GLN 241.A O no hydrogen 3.128 N/A ALA 235.A N THR 239.A O no hydrogen 2.818 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.105 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.356 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 3.354 N/A PHE 240.A N PHE 207.A O no hydrogen 2.876 N/A GLN 241.A N ARG 233.A O no hydrogen 2.811 N/A LYS 242.A N ALA 204.A O no hydrogen 2.940 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.785 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 2.780 N/A ALA 244.A N CYS 202.A O no hydrogen 3.099 N/A SER 245.A N GLU 228.A O no hydrogen 2.771 N/A VAL 246.A N LEU 200.A O no hydrogen 2.979 N/A VAL 248.A N VAL 198.A O no hydrogen 2.576 N/A LEU 250.A N GLY 196.A O no hydrogen 2.942 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 2.987 N/A LYS 252.A N PRO 249.A O no hydrogen 3.179 N/A GLU 253.A N GLU 253.A OE2 no hydrogen 2.785 N/A TYR 256.A N GLU 253.A O no hydrogen 2.948 N/A THR 257.A N GLN 217.A O no hydrogen 2.957 N/A CYS 258.A N LEU 271.A O no hydrogen 2.811 N/A CYS 258.A SG THR 215.A O no hydrogen 3.754 N/A ARG 259.A N THR 215.A O no hydrogen 2.955 N/A VAL 260.A N LEU 269.A O no hydrogen 3.264 N/A TYR 261.A N THR 213.A O no hydrogen 2.826 N/A HIS 262.A NE2 TYR 208.A O no hydrogen 2.819 N/A LEU 265.A N HIS 262.A O no hydrogen 2.740 N/A LEU 269.A N VAL 260.A O no hydrogen 3.209 N/A LEU 271.A N CYS 258.A O no hydrogen 2.709 N/A