Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wt9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N CYS 41.A O no hydrogen 2.937 N/A GLN 2.A N CYS 41.A O no hydrogen 2.763 N/A ASN 5.A ND2 ASP 143.A OD1 no hydrogen 2.904 N/A SER 6.A N PRO 3.A O no hydrogen 3.266 N/A SER 6.A OG PRO 3.A O no hydrogen 3.455 N/A ALA 7.A N THR 144.A O no hydrogen 2.958 N/A LEU 8.A N ASN 44.A O no hydrogen 3.064 N/A VAL 9.A N TYR 146.A O no hydrogen 2.806 N/A VAL 10.A N VAL 46.A O no hydrogen 2.866 N/A VAL 11.A N VAL 148.A O no hydrogen 2.873 N/A ASP 12.A N THR 48.A O no hydrogen 3.289 N/A ASP 12.A N THR 48.A OG1 no hydrogen 3.022 N/A GLN 14.A NE2 ASP 50.A O no hydrogen 2.849 N/A GLN 14.A NE2 ALA 93.A O no hydrogen 2.835 N/A ASN 15.A N GLU 94.A O no hydrogen 2.881 N/A ASN 15.A ND2 HIS 91.A O no hydrogen 2.755 N/A GLY 16.A N ASP 92.A O no hydrogen 2.855 N/A PHE 17.A N GLN 14.A O no hydrogen 3.158 N/A THR 18.A N ASN 15.A O no hydrogen 3.240 N/A THR 18.A OG1 GLN 14.A O no hydrogen 3.048 N/A THR 18.A OG1 ASN 15.A O no hydrogen 3.240 N/A GLY 21.A N THR 18.A O no hydrogen 2.725 N/A ASN 22.A N.A ASP 92.A OD1 no hydrogen 3.112 N/A ASN 22.A N.B ASP 92.A OD1 no hydrogen 3.215 N/A ASN 22.A ND2.A LYS 84.A O no hydrogen 3.548 N/A ASN 22.A ND2.B LYS 84.A O no hydrogen 2.856 N/A LEU 23.A N GLY 16.A O no hydrogen 2.791 N/A VAL 25.A N PHE 17.A O no hydrogen 2.972 N/A ALA 28.A N VAL 25.A O no hydrogen 3.116 N/A THR 30.A N ASP 27.A O no hydrogen 2.790 N/A THR 30.A OG1 ASP 27.A O no hydrogen 2.338 N/A ILE 32.A N ASP 29.A O no hydrogen 3.214 N/A ILE 35.A N ILE 31.A O no hydrogen 2.988 N/A ASN 36.A N ILE 32.A O no hydrogen 2.828 N/A ASN 36.A ND2 ASP 98.A O no hydrogen 3.073 N/A GLN 37.A N PRO 33.A O no hydrogen 3.038 N/A LEU 38.A N THR 34.A O no hydrogen 2.842 N/A ALA 39.A N ILE 35.A O no hydrogen 2.914 N/A GLY 40.A N GLN 37.A O no hydrogen 3.143 N/A CYS 41.A N LEU 38.A O no hydrogen 2.834 N/A CYS 41.A SG GLN 37.A O no hydrogen 4.016 N/A PHE 42.A N ALA 39.A O no hydrogen 3.177 N/A ASN 44.A ND2 GLN 4.A OE1 no hydrogen 3.573 N/A ASN 44.A ND2 SER 6.A O no hydrogen 3.272 N/A VAL 45.A N GLN 105.A OE1 no hydrogen 3.399 N/A VAL 46.A N LEU 8.A O no hydrogen 2.859 N/A LEU 47.A N LEU 106.A O no hydrogen 2.932 N/A THR 48.A N VAL 10.A O no hydrogen 2.977 N/A THR 48.A OG1 ASP 12.A OD1 no hydrogen 2.665 N/A GLN 49.A N ILE 108.A O no hydrogen 3.057 N/A GLN 49.A NE2 ALA 93.A O no hydrogen 3.002 N/A ASP 50.A N GLN 14.A OE1 no hydrogen 2.926 N/A HIS 52.A N CYS 86.A O no hydrogen 3.046 N/A HIS 52.A ND1 GLY 111.A O no hydrogen 2.854 N/A HIS 56.A N PRO 53.A O no hydrogen 2.890 N/A HIS 56.A ND1 SER 58.A OG no hydrogen 2.842 N/A HIS 56.A NE2 ILE 116.A O no hydrogen 3.085 N/A ILE 57.A N ALA 114.A O no hydrogen 2.871 N/A SER 58.A N HIS 56.A ND1 no hydrogen 2.970 N/A SER 58.A OG HIS 56.A ND1 no hydrogen 2.842 N/A PHE 59.A N HIS 56.A O no hydrogen 3.231 N/A ALA 60.A N TRP 82.A O no hydrogen 2.801 N/A ASN 62.A N PHE 59.A O no hydrogen 2.995 N/A ASN 62.A ND2 ASP 54.A O no hydrogen 3.067 N/A ASN 62.A ND2 HIS 56.A O no hydrogen 2.878 N/A HIS 63.A N ALA 60.A O no hydrogen 2.900 N/A HIS 63.A NE2 ILE 57.A O no hydrogen 2.742 N/A LYS 66.A N HIS 63.A O no hydrogen 2.961 N/A GLN 67.A N GLU 70.A OE1 no hydrogen 3.105 N/A PHE 69.A N LEU 81.A O no hydrogen 2.603 N/A GLU 70.A N GLN 67.A O no hydrogen 3.134 N/A ILE 72.A N GLN 79.A O no hydrogen 2.872 N/A LEU 74.A N GLY 77.A O no hydrogen 2.885 N/A TYR 76.A OH GLN 79.A OE1 no hydrogen 2.682 N/A GLY 77.A N LEU 74.A O no hydrogen 3.074 N/A SER 78.A OG GLU 73.A OE2 no hydrogen 2.653 N/A GLN 79.A N ILE 72.A O no hydrogen 2.952 N/A GLN 79.A NE2 VAL 80.A O no hydrogen 2.711 N/A GLN 79.A NE2 ASP 117.A OD2 no hydrogen 3.080 N/A LEU 81.A N GLU 70.A O no hydrogen 2.827 N/A TRP 82.A N SER 58.A O no hydrogen 2.829 N/A TRP 82.A NE1 TYR 119.A OH no hydrogen 2.935 N/A HIS 85.A ND1 PRO 83.A O no hydrogen 2.811 N/A CYS 86.A N ASP 92.A OD2 no hydrogen 2.739 N/A CYS 86.A SG ASP 92.A O no hydrogen 3.874 N/A GLN 88.A N HIS 52.A O no hydrogen 3.012 N/A GLN 88.A NE2 TRP 51.A O no hydrogen 3.193 N/A THR 90.A N ILE 87.A O no hydrogen 3.034 N/A THR 90.A OG1 ILE 87.A O no hydrogen 2.546 N/A ALA 93.A N THR 90.A O no hydrogen 3.114 N/A GLU 94.A N HIS 91.A O no hydrogen 3.025 N/A HIS 96.A N VAL 13.A O no hydrogen 2.992 N/A ASP 98.A N HIS 96.A ND1 no hydrogen 3.103 N/A LEU 99.A N HIS 96.A O no hydrogen 2.797 N/A ASN 100.A N ASN 36.A OD1 no hydrogen 2.888 N/A ALA 104.A N ILE 101.A O no hydrogen 3.113 N/A GLN 105.A N VAL 45.A O no hydrogen 2.918 N/A GLN 105.A NE2 GLU 43.A O no hydrogen 2.732 N/A ILE 108.A N LEU 47.A O no hydrogen 2.862 N/A ARG 109.A NE GLN 49.A OE1 no hydrogen 3.074 N/A LYS 110.A N GLN 49.A O no hydrogen 3.041 N/A LYS 110.A NZ ASP 12.A OD2 no hydrogen 2.759 N/A LYS 110.A NZ ASP 50.A OD1 no hydrogen 3.053 N/A LYS 110.A NZ SER 118.A O no hydrogen 3.338 N/A LYS 110.A NZ TYR 119.A O no hydrogen 3.175 N/A HIS 113.A ND1 GLU 124.A OE1 no hydrogen 2.796 N/A ILE 116.A N HIS 113.A O no hydrogen 3.239 N/A ASP 117.A N TYR 76.A OH no hydrogen 3.286 N/A SER 118.A N ASP 117.A OD1 no hydrogen 2.756 N/A SER 118.A OG SER 120.A O no hydrogen 2.814 N/A SER 120.A OG ASP 162.A OD2 no hydrogen 2.686 N/A ALA 121.A N THR 159.A OG1 no hydrogen 3.104 N/A PHE 122.A N SER 120.A OG no hydrogen 2.881 N/A MET 123.A N SER 120.A OG no hydrogen 3.170 N/A GLU 124.A N THR 129.A O no hydrogen 2.820 N/A ALA 125.A N ASP 117.A O no hydrogen 2.940 N/A HIS 127.A N GLU 124.A O no hydrogen 2.819 N/A THR 128.A N ASP 126.A OD2 no hydrogen 3.045 N/A THR 128.A OG1 ASP 126.A O no hydrogen 3.561 N/A THR 129.A N ASP 126.A OD2 no hydrogen 2.869 N/A THR 129.A OG1 ASP 126.A OD1 no hydrogen 2.764 N/A THR 129.A OG1 ASP 126.A OD2 no hydrogen 3.448 N/A THR 131.A N PHE 122.A O no hydrogen 3.137 N/A THR 131.A OG1 ALA 121.A O no hydrogen 2.679 N/A THR 131.A OG1 PHE 122.A O no hydrogen 3.189 N/A LEU 133.A N THR 131.A OG1 no hydrogen 3.307 N/A TYR 136.A N GLY 132.A O no hydrogen 3.197 N/A LEU 137.A N LEU 133.A O no hydrogen 2.871 N/A LYS 138.A N THR 134.A O no hydrogen 2.860 N/A LYS 138.A NZ GLN 166.A O no hydrogen 2.815 N/A GLU 139.A N GLY 135.A O no hydrogen 2.909 N/A ARG 140.A N TYR 136.A O no hydrogen 3.109 N/A ARG 140.A NH1 GLN 105.A OE1 no hydrogen 2.844 N/A ARG 140.A NH1 TYR 136.A OH no hydrogen 2.761 N/A ARG 140.A NH2 GLN 105.A OE1 no hydrogen 3.203 N/A GLY 141.A N LYS 138.A O no hydrogen 2.892 N/A ILE 142.A N LEU 137.A O no hydrogen 3.018 N/A ASP 143.A N ASN 5.A O no hydrogen 2.824 N/A THR 144.A N ASN 5.A O no hydrogen 3.189 N/A THR 144.A OG1 ASP 143.A OD1 no hydrogen 3.036 N/A VAL 145.A N LYS 169.A O no hydrogen 2.757 N/A TYR 146.A N ALA 7.A O no hydrogen 2.960 N/A VAL 147.A N LEU 171.A O no hydrogen 2.736 N/A VAL 148.A N VAL 9.A O no hydrogen 3.054 N/A GLY 149.A N ALA 176.A O no hydrogen 3.014 N/A ILE 150.A N VAL 11.A O no hydrogen 2.897 N/A THR 152.A N LYS 178.A O no hydrogen 2.923 N/A ASP 153.A N ASP 153.A OD1 no hydrogen 2.561 N/A PHE 154.A N ALA 151.A O no hydrogen 3.017 N/A CYS 155.A SG ASP 12.A OD2 no hydrogen 3.370 N/A CYS 155.A SG TYR 119.A O no hydrogen 3.384 N/A VAL 156.A N ALA 151.A O no hydrogen 2.866 N/A TRP 158.A N.A PHE 154.A O no hydrogen 2.896 N/A TRP 158.A N.B PHE 154.A O no hydrogen 2.892 N/A THR 159.A N CYS 155.A O no hydrogen 3.090 N/A THR 159.A OG1 CYS 155.A O no hydrogen 2.747 N/A ALA 160.A N VAL 156.A O no hydrogen 2.895 N/A LEU 161.A N ALA 157.A O no hydrogen 2.944 N/A ASP 162.A N TRP 158.A O.A no hydrogen 2.802 N/A ASP 162.A N TRP 158.A O.B no hydrogen 2.940 N/A ALA 163.A N THR 159.A O no hydrogen 2.929 N/A VAL 164.A N ALA 160.A O no hydrogen 3.059 N/A LYS 165.A N.A LEU 161.A O no hydrogen 3.040 N/A LYS 165.A N.B LEU 161.A O no hydrogen 3.039 N/A LYS 165.A N.C LEU 161.A O no hydrogen 3.049 N/A LYS 165.A NZ.B ASP 162.A OD1 no hydrogen 2.548 N/A GLN 166.A N ASP 162.A O no hydrogen 2.933 N/A GLY 167.A N VAL 164.A O no hydrogen 3.132 N/A PHE 168.A N ALA 163.A O no hydrogen 3.067 N/A LYS 169.A N ASP 143.A O no hydrogen 2.860 N/A THR 170.A OG1 PHE 168.A O no hydrogen 2.895 N/A LEU 171.A N VAL 145.A O no hydrogen 2.983 N/A VAL 172.A N VAL 199.A O no hydrogen 2.922 N/A ILE 173.A N VAL 147.A O no hydrogen 3.100 N/A GLU 174.A N ILE 201.A O no hydrogen 2.787 N/A ALA 176.A N ILE 173.A O no hydrogen 2.900 N/A CYS 177.A N GLU 174.A O no hydrogen 3.162 N/A CYS 177.A SG VAL 147.A O no hydrogen 4.040 N/A CYS 177.A SG ILE 173.A O no hydrogen 3.391 N/A LYS 178.A N GLY 149.A O no hydrogen 3.192 N/A ILE 180.A N ASP 153.A OD1 no hydrogen 2.986 N/A ASP 181.A N ASP 153.A OD2 no hydrogen 2.762 N/A LEU 182.A N SER 185.A OG no hydrogen 2.868 N/A SER 185.A N LEU 182.A O no hydrogen 3.116 N/A SER 185.A OG ASP 153.A OD2 no hydrogen 2.622 N/A SER 185.A OG LEU 182.A O no hydrogen 3.340 N/A LEU 186.A N ASP 181.A OD1 no hydrogen 3.133 N/A GLN 188.A N GLY 184.A O no hydrogen 3.230 N/A GLN 188.A NE2 THR 192.A OG1 no hydrogen 3.130 N/A ALA 189.A N SER 185.A O no hydrogen 2.873 N/A TRP 190.A N LEU 186.A O no hydrogen 3.079 N/A GLN 191.A N.A GLU 187.A O no hydrogen 3.036 N/A GLN 191.A N.B GLU 187.A O no hydrogen 3.059 N/A GLN 191.A NE2.B GLU 187.A OE2 no hydrogen 3.445 N/A THR 192.A N GLN 188.A O no hydrogen 2.925 N/A THR 192.A OG1 GLN 188.A O no hydrogen 3.189 N/A MET 193.A N ALA 189.A O no hydrogen 2.939 N/A GLN 194.A N.A TRP 190.A O no hydrogen 2.844 N/A GLN 194.A N.B TRP 190.A O no hydrogen 2.787 N/A GLN 195.A N GLN 191.A O.A no hydrogen 2.801 N/A GLN 195.A N GLN 191.A O.B no hydrogen 2.912 N/A GLN 196.A N THR 192.A O no hydrogen 3.016 N/A GLN 196.A N MET 193.A O no hydrogen 3.163 N/A GLY 197.A N GLN 194.A O.A no hydrogen 2.591 N/A GLY 197.A N GLN 194.A O.B no hydrogen 3.262 N/A VAL 198.A N MET 193.A O no hydrogen 2.970 N/A VAL 199.A N THR 170.A O no hydrogen 2.827 N/A ARG 200.A NE GLU 174.A OE2 no hydrogen 2.949 N/A ARG 200.A NH1 GLN 194.A OE1.A no hydrogen 3.094 N/A ARG 200.A NH2 GLU 174.A OE1 no hydrogen 2.743 N/A ARG 200.A NH2 GLU 174.A OE2 no hydrogen 3.512 N/A ILE 201.A N VAL 172.A O no hydrogen 3.111 N/A GLN 202.A N ASP 205.A OD2 no hydrogen 3.044 N/A GLN 202.A NE2 GLU 174.A OE2 no hydrogen 2.994 N/A SER 203.A N ASP 175.A OD2 no hydrogen 2.703 N/A SER 203.A OG ASP 175.A OD1 no hydrogen 2.505 N/A SER 203.A OG ASP 175.A OD2 no hydrogen 3.368 N/A ASP 205.A N GLN 202.A O no hydrogen 2.833 N/A LEU 206.A N SER 203.A O no hydrogen 3.058 N/A LEU 207.A N SER 203.A O no hydrogen 2.868 N/A