Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N SER 26.A OG no hydrogen 2.881 N/A THR 5.A N ARG 24.A O no hydrogen 2.809 N/A GLN 6.A NE2 TYR 91.A O no hydrogen 2.860 N/A THR 7.A N SER 22.A O no hydrogen 3.030 N/A LEU 11.A N THR 108.A O no hydrogen 2.803 N/A VAL 13.A N GLU 110.A O no hydrogen 2.897 N/A SER 14.A N ASP 17.A OD2 no hydrogen 2.833 N/A GLY 16.A N VAL 83.A O no hydrogen 2.829 N/A ASP 17.A N SER 14.A O no hydrogen 3.006 N/A GLN 18.A NE2 ASN 81.A OD1 no hydrogen 2.742 N/A ALA 19.A N ILE 80.A O no hydrogen 3.097 N/A ILE 21.A N LEU 78.A O no hydrogen 2.849 N/A SER 22.A N THR 7.A O no hydrogen 2.851 N/A CYS 23.A N PHE 76.A O no hydrogen 2.844 N/A ARG 24.A N THR 5.A O no hydrogen 2.966 N/A SER 25.A N THR 74.A O no hydrogen 2.979 N/A SER 25.A OG GLN 27.A O no hydrogen 2.689 N/A SER 26.A N LEU 3.A O no hydrogen 2.984 N/A ILE 29.A N GLY 73.A O no hydrogen 3.211 N/A VAL 30.A N SER 28.A OG no hydrogen 3.344 N/A HIS 31.A N ASN 35.A O no hydrogen 2.663 N/A ASN 33.A N HIS 31.A ND1 no hydrogen 2.864 N/A ASN 33.A ND2 TYR 37.A OH no hydrogen 3.028 N/A GLY 34.A N HIS 31.A O no hydrogen 2.956 N/A ASN 35.A N ASN 33.A OD1 no hydrogen 2.932 N/A ASN 35.A ND2 ASN 33.A OD1 no hydrogen 3.276 N/A TYR 37.A N SER 97.A OG no hydrogen 3.217 N/A LEU 38.A N THR 36.A O no hydrogen 3.260 N/A GLU 39.A N LEU 94.A O no hydrogen 2.922 N/A TRP 40.A N ILE 53.A O no hydrogen 2.904 N/A TYR 41.A N TYR 92.A O no hydrogen 2.800 N/A TYR 41.A OH GLU 39.A OE1 no hydrogen 2.667 N/A LEU 42.A N LYS 50.A O no hydrogen 2.950 N/A GLN 43.A N ILE 90.A O no hydrogen 2.810 N/A GLN 43.A NE2 GLN 47.A O no hydrogen 2.931 N/A LYS 44.A NZ GLU 86.A O no hydrogen 2.971 N/A GLN 47.A N LYS 44.A O no hydrogen 3.103 N/A LYS 50.A N LEU 42.A O no hydrogen 2.864 N/A LEU 52.A N TRP 40.A O no hydrogen 2.862 N/A ILE 53.A N TRP 40.A O no hydrogen 3.386 N/A TYR 54.A N ASN 58.A O no hydrogen 2.796 N/A VAL 56.A N LEU 38.A O no hydrogen 2.919 N/A SER 57.A N LYS 55.A O no hydrogen 2.806 N/A ASN 58.A N TYR 54.A O no hydrogen 3.035 N/A ARG 59.A NH1.A VAL 63.A O no hydrogen 3.011 N/A ARG 59.A NH1.B PHE 67.A O no hydrogen 3.039 N/A PHE 60.A N LEU 52.A O no hydrogen 2.939 N/A VAL 63.A N PHE 60.A O no hydrogen 3.159 N/A ARG 66.A NE ASP 87.A OD1 no hydrogen 3.408 N/A ARG 66.A NE ASP 87.A OD2 no hydrogen 2.775 N/A ARG 66.A NH2 ASP 87.A OD1 no hydrogen 2.776 N/A ARG 66.A NH2 ASP 87.A OD2 no hydrogen 3.548 N/A PHE 67.A N PRO 64.A O no hydrogen 3.203 N/A SER 68.A N LYS 79.A O no hydrogen 3.012 N/A SER 70.A N THR 77.A O no hydrogen 2.949 N/A SER 72.A N ASP 75.A O no hydrogen 3.038 N/A ASP 75.A N SER 72.A O no hydrogen 3.202 N/A PHE 76.A N CYS 23.A O no hydrogen 2.965 N/A THR 77.A N SER 70.A O no hydrogen 2.902 N/A LEU 78.A N ILE 21.A O no hydrogen 2.869 N/A LYS 79.A N SER 68.A O no hydrogen 2.825 N/A ILE 80.A N ALA 19.A O no hydrogen 2.906 N/A ASN 81.A N ARG 66.A O no hydrogen 2.825 N/A VAL 83.A N ASP 17.A O no hydrogen 2.946 N/A GLU 84.A N ASP 87.A OD2 no hydrogen 2.905 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.745 N/A ASP 87.A N GLU 84.A O no hydrogen 2.922 N/A LEU 88.A N ALA 85.A O no hydrogen 3.185 N/A GLY 89.A N LEU 109.A O no hydrogen 3.130 N/A ILE 90.A N GLN 43.A O no hydrogen 3.004 N/A TYR 91.A N THR 107.A O no hydrogen 2.793 N/A TYR 91.A OH ASP 87.A O no hydrogen 2.621 N/A TYR 92.A N TYR 41.A O no hydrogen 2.943 N/A CYS 93.A N GLN 6.A OE1 no hydrogen 3.213 N/A LEU 94.A N GLU 39.A O no hydrogen 2.903 N/A GLN 95.A N THR 102.A O no hydrogen 3.008 N/A GLN 95.A NE2 HIS 98.A O no hydrogen 2.887 N/A GLN 95.A NE2 THR 102.A OG1 no hydrogen 3.062 N/A GLY 96.A N TYR 37.A O no hydrogen 2.740 N/A SER 97.A N GLN 95.A OE1 no hydrogen 2.963 N/A SER 97.A OG ILE 29.A O no hydrogen 2.577 N/A HIS 98.A N GLN 95.A OE1 no hydrogen 3.002 N/A HIS 98.A NE2 SER 28.A O no hydrogen 2.927 N/A THR 102.A OG1 VAL 2.A O no hydrogen 2.839 N/A GLY 104.A N CYS 93.A O no hydrogen 2.893 N/A GLY 106.A N GLN 6.A OE1 no hydrogen 3.058 N/A THR 107.A N TYR 91.A O no hydrogen 2.826 N/A THR 107.A OG1 PRO 8.A O no hydrogen 2.607 N/A THR 108.A N LEU 9.A O no hydrogen 2.908 N/A LEU 109.A N GLY 89.A O no hydrogen 2.789 N/A GLU 110.A N LEU 11.A O no hydrogen 3.217 N/A LEU 111.A N GLN 171.A OE1 no hydrogen 3.022 N/A LYS 112.A N VAL 13.A O no hydrogen 2.869 N/A ARG 113.A NE ALA 114.A O no hydrogen 2.762 N/A ARG 113.A NH1 ALA 114.A O no hydrogen 3.340 N/A ARG 113.A NH2 ASP 175.A O no hydrogen 2.688 N/A ALA 116.A N TYR 145.A O no hydrogen 2.821 N/A THR 119.A N ASN 142.A O no hydrogen 2.871 N/A SER 121.A N PHE 140.A O no hydrogen 2.979 N/A PHE 123.A N VAL 138.A O no hydrogen 2.834 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 3.059 N/A GLN 129.A N SER 126.A OG no hydrogen 3.072 N/A GLN 129.A NE2 SER 136.A OG no hydrogen 2.880 N/A LEU 130.A N SER 126.A O no hydrogen 3.173 N/A THR 131.A N SER 127.A O no hydrogen 3.043 N/A THR 131.A OG1 SER 127.A O no hydrogen 2.930 N/A SER 132.A N GLN 129.A O no hydrogen 2.975 N/A SER 132.A OG.B GLN 129.A O no hydrogen 2.332 N/A GLY 133.A N LEU 130.A O no hydrogen 2.770 N/A GLY 134.A N GLN 129.A O no hydrogen 3.152 N/A ALA 135.A N LEU 186.A O no hydrogen 3.154 N/A SER 136.A N GLN 129.A OE1 no hydrogen 2.872 N/A SER 136.A OG THR 185.A OG1 no hydrogen 3.039 N/A VAL 137.A N LEU 184.A O no hydrogen 2.729 N/A VAL 138.A N PHE 123.A O no hydrogen 3.112 N/A CYS 139.A N.A SER 182.A O no hydrogen 2.768 N/A CYS 139.A N.B SER 182.A O no hydrogen 2.782 N/A CYS 139.A SG.A SER 121.A O no hydrogen 3.848 N/A CYS 139.A SG.B SER 121.A O no hydrogen 3.980 N/A PHE 140.A N SER 121.A O no hydrogen 2.885 N/A LEU 141.A N MET 180.A O no hydrogen 2.789 N/A ASN 142.A N THR 119.A O no hydrogen 2.828 N/A ASN 143.A N SER 179.A OG no hydrogen 2.948 N/A ASN 143.A ND2 ASP 175.A OD2 no hydrogen 2.937 N/A PHE 144.A N TYR 178.A O no hydrogen 2.853 N/A TYR 145.A N ALA 116.A O no hydrogen 2.922 N/A TYR 145.A OH GLU 110.A OE2 no hydrogen 2.732 N/A ASN 150.A N THR 202.A O no hydrogen 3.085 N/A LYS 152.A N GLU 200.A O no hydrogen 2.934 N/A TRP 153.A NE1 SER 182.A OG no hydrogen 2.845 N/A LYS 154.A N THR 198.A O no hydrogen 2.745 N/A LYS 154.A NZ GLU 200.A OE2 no hydrogen 3.301 N/A ILE 155.A N SER 158.A O no hydrogen 2.734 N/A ASP 156.A N SER 196.A O no hydrogen 2.909 N/A SER 158.A N ILE 155.A O no hydrogen 2.963 N/A ARG 160.A N TRP 153.A O no hydrogen 2.880 N/A ARG 160.A NE ASN 162.A O no hydrogen 3.032 N/A ARG 160.A NH1 GLU 190.A OE2 no hydrogen 2.943 N/A LEU 165.A N THR 183.A O no hydrogen 2.916 N/A SER 167.A N SER 181.A O.A no hydrogen 2.909 N/A SER 167.A N SER 181.A O.B no hydrogen 2.898 N/A THR 169.A N SER 179.A O no hydrogen 3.045 N/A THR 169.A OG1 ASP 170.A O no hydrogen 3.533 N/A THR 169.A OG1 SER 179.A O no hydrogen 3.224 N/A GLN 171.A NE2 LEU 111.A O no hydrogen 2.876 N/A GLN 171.A NE2 SER 176.A O no hydrogen 2.875 N/A ASP 172.A N THR 177.A O no hydrogen 2.830 N/A LYS 174.A N ASP 172.A OD2 no hydrogen 2.804 N/A ASP 175.A N ASP 172.A OD2 no hydrogen 2.954 N/A SER 176.A N ASP 172.A O no hydrogen 2.991 N/A THR 177.A N ASP 175.A OD1 no hydrogen 3.068 N/A THR 177.A OG1 ASP 175.A OD1 no hydrogen 2.704 N/A THR 177.A OG1 ASP 175.A OD2 no hydrogen 3.405 N/A TYR 178.A N PHE 144.A O no hydrogen 2.820 N/A TYR 178.A OH GLU 110.A OE1 no hydrogen 2.485 N/A SER 179.A N THR 169.A OG1 no hydrogen 2.926 N/A SER 179.A OG ASN 142.A OD1 no hydrogen 3.521 N/A MET 180.A N LEU 141.A O no hydrogen 2.850 N/A SER 181.A N.A SER 167.A O no hydrogen 2.815 N/A SER 181.A N.B SER 167.A O no hydrogen 2.817 N/A SER 182.A N CYS 139.A O.A no hydrogen 2.875 N/A SER 182.A N CYS 139.A O.B no hydrogen 2.883 N/A SER 182.A OG ASN 166.A OD1 no hydrogen 2.690 N/A THR 183.A N LEU 165.A O no hydrogen 2.881 N/A LEU 184.A N VAL 137.A O no hydrogen 2.778 N/A THR 185.A N GLY 163.A O no hydrogen 2.967 N/A THR 185.A OG1 SER 136.A OG no hydrogen 3.039 N/A LEU 186.A N ALA 135.A O no hydrogen 2.771 N/A LYS 188.A N GLY 133.A O no hydrogen 3.379 N/A LYS 188.A NZ LEU 130.A O no hydrogen 3.044 N/A GLU 190.A N THR 187.A OG1 no hydrogen 2.978 N/A TYR 191.A N THR 187.A O no hydrogen 2.976 N/A GLU 192.A N LYS 188.A O no hydrogen 3.084 N/A ARG 193.A N GLU 190.A O no hydrogen 3.233 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 3.154 N/A ARG 193.A NH2 ASP 189.A OD1 no hydrogen 3.394 N/A HIS 194.A ND1 ASP 156.A OD2 no hydrogen 2.894 N/A ASN 195.A N ASP 156.A OD1 no hydrogen 3.183 N/A SER 196.A N ASP 156.A OD1 no hydrogen 3.052 N/A SER 196.A OG ASP 156.A OD1 no hydrogen 3.165 N/A TYR 197.A N PHE 214.A O no hydrogen 3.048 N/A TYR 197.A OH TYR 191.A O no hydrogen 2.746 N/A THR 198.A N LYS 154.A O no hydrogen 2.827 N/A THR 198.A OG1 SER 213.A OG no hydrogen 2.300 N/A CYS 199.A N.A LYS 212.A O no hydrogen 2.918 N/A CYS 199.A N.B LYS 212.A O no hydrogen 2.959 N/A GLU 200.A N LYS 152.A O no hydrogen 2.782 N/A ALA 201.A N ILE 210.A O no hydrogen 2.861 N/A THR 202.A N ASN 150.A O no hydrogen 2.904 N/A HIS 203.A ND1 THR 205.A OG1 no hydrogen 2.864 N/A HIS 203.A NE2 PRO 146.A O no hydrogen 2.876 N/A LYS 204.A NZ ASP 115.A OD2 no hydrogen 2.791 N/A THR 205.A N HIS 203.A ND1 no hydrogen 3.466 N/A THR 205.A OG1 HIS 203.A ND1 no hydrogen 2.864 N/A SER 206.A N HIS 203.A O no hydrogen 3.136 N/A SER 206.A OG SER 208.A O no hydrogen 3.293 N/A SER 208.A N SER 206.A OG no hydrogen 3.153 N/A ILE 210.A N ALA 201.A O no hydrogen 2.867 N/A LYS 212.A N CYS 199.A O.A no hydrogen 3.050 N/A LYS 212.A N CYS 199.A O.B no hydrogen 3.086 N/A SER 213.A OG TYR 197.A O no hydrogen 3.509 N/A SER 213.A OG THR 198.A OG1 no hydrogen 2.300 N/A PHE 214.A N TYR 197.A O no hydrogen 3.100 N/A ARG 216.A N ASN 195.A O no hydrogen 2.782 N/A ARG 216.A NH2 HIS 194.A O no hydrogen 2.828 N/A