Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wag_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N SER 3.A OG no hydrogen 2.914 N/A HIS 6.A NE2 GLU 197.A OE1 no hydrogen 2.672 N/A HIS 9.A ND1 MET 10.A O no hydrogen 2.831 N/A TYR 13.A N MET 10.A O no hydrogen 3.199 N/A LYS 16.A NZ.B GLN 35.A O no hydrogen 2.485 N/A GLY 17.A N ASN 203.A O no hydrogen 2.980 N/A VAL 18.A N PHE 39.A O no hydrogen 2.961 N/A ASP 19.A N ASP 201.A O no hydrogen 3.246 N/A VAL 20.A N PHE 41.A O no hydrogen 3.030 N/A ALA 21.A N GLN 24.A OE1 no hydrogen 2.959 N/A SER 22.A N ASP 52.A OD1 no hydrogen 2.806 N/A SER 22.A OG ASP 52.A OD1 no hydrogen 3.411 N/A GLN 24.A N ALA 21.A O no hydrogen 3.074 N/A GLN 24.A NE2 TYR 199.A O no hydrogen 2.936 N/A GLY 25.A N SER 22.A O no hydrogen 2.854 N/A TRP 29.A NE1 ASN 58.A OD1 no hydrogen 3.051 N/A ARG 30.A NE.B ASP 28.A OD1 no hydrogen 3.103 N/A ARG 30.A NH2.B ILE 27.A O no hydrogen 3.363 N/A GLU 31.A N ASP 28.A OD1 no hydrogen 3.084 N/A LEU 32.A N ASP 28.A O no hydrogen 3.160 N/A GLU 33.A N TRP 29.A O no hydrogen 2.947 N/A LYS 34.A N ARG 30.A O no hydrogen 3.047 N/A GLN 35.A N LEU 32.A O no hydrogen 2.961 N/A GLN 35.A NE2 GLU 31.A O no hydrogen 3.083 N/A ASN 36.A N GLU 33.A O no hydrogen 3.131 N/A MET 37.A N LEU 32.A O no hydrogen 3.342 N/A LYS 38.A N LYS 16.A O no hydrogen 2.753 N/A LYS 38.A NZ ASN 36.A OD1 no hydrogen 3.398 N/A ALA 40.A N ARG 68.A O no hydrogen 2.976 N/A PHE 41.A N VAL 18.A O no hydrogen 2.981 N/A ILE 42.A N GLY 70.A O no hydrogen 2.917 N/A LYS 43.A N VAL 20.A O no hydrogen 2.837 N/A LYS 43.A NZ GLU 46.A OE1 no hydrogen 2.819 N/A ALA 44.A N TYR 72.A O no hydrogen 2.909 N/A GLU 46.A N PHE 50.A O no hydrogen 3.058 N/A GLY 47.A N PHE 74.A O no hydrogen 3.121 N/A SER 48.A OG.A SER 79.A OG no hydrogen 2.728 N/A SER 48.A OG.A THR 83.A OG1.A no hydrogen 2.564 N/A SER 48.A OG.A THR 83.A OG1.B no hydrogen 2.977 N/A PHE 50.A N GLU 46.A O no hydrogen 3.133 N/A ASP 52.A N ALA 44.A O no hydrogen 2.887 N/A TYR 54.A N ASP 52.A OD2 no hydrogen 2.879 N/A PHE 55.A N ASP 52.A O no hydrogen 3.157 N/A ASN 58.A N TYR 54.A O no hydrogen 2.836 N/A TRP 59.A N PHE 55.A O no hydrogen 2.772 N/A TRP 59.A NE1 TYR 95.A OH.B no hydrogen 2.954 N/A THR 60.A N SER 56.A O.A no hydrogen 3.038 N/A THR 60.A N SER 56.A O.B no hydrogen 3.100 N/A THR 60.A OG1 SER 56.A O.A no hydrogen 3.115 N/A THR 60.A OG1 SER 56.A O.B no hydrogen 2.981 N/A ASN 61.A N LYS 57.A O no hydrogen 2.913 N/A ALA 62.A N ASN 58.A O no hydrogen 2.794 N/A ASN 63.A N TRP 59.A O no hydrogen 3.100 N/A LYS 64.A N ASN 61.A O no hydrogen 3.168 N/A THR 65.A N ALA 62.A O no hydrogen 3.080 N/A THR 65.A OG1 ALA 62.A O no hydrogen 2.735 N/A SER 66.A N GLU 33.A OE2 no hydrogen 2.725 N/A SER 66.A OG.A GLU 33.A OE2 no hydrogen 2.308 N/A MET 67.A N.A THR 65.A OG1 no hydrogen 3.020 N/A MET 67.A N.B THR 65.A OG1 no hydrogen 3.074 N/A ARG 68.A N LYS 38.A O no hydrogen 2.946 N/A ARG 68.A NH1 GLN 97.A O no hydrogen 2.919 N/A ARG 68.A NH2 PHE 212.A O.A no hydrogen 2.967 N/A ARG 68.A NH2 PHE 212.A O.B no hydrogen 2.857 N/A ARG 68.A NH2 TYR 215.A O no hydrogen 2.956 N/A GLY 70.A N ALA 40.A O no hydrogen 2.934 N/A TYR 72.A N ILE 42.A O no hydrogen 2.929 N/A HIS 73.A N VAL 102.A O no hydrogen 2.895 N/A HIS 73.A NE2 GLY 47.A O no hydrogen 3.127 N/A PHE 74.A N THR 45.A O no hydrogen 2.838 N/A PHE 75.A N ASP 104.A O no hydrogen 2.903 N/A SER 76.A N GLN 84.A OE1 no hydrogen 2.898 N/A PHE 77.A N TYR 108.A OH no hydrogen 2.981 N/A ASP 78.A N SER 76.A OG no hydrogen 2.934 N/A SER 79.A OG SER 48.A OG.A no hydrogen 2.728 N/A GLY 81.A N GLU 124.A OE1 no hydrogen 2.788 N/A THR 83.A OG1.A SER 48.A OG.A no hydrogen 2.564 N/A THR 83.A OG1.A LYS 80.A O no hydrogen 2.719 N/A GLN 84.A N LYS 80.A O no hydrogen 3.067 N/A GLN 84.A NE2 SER 76.A O no hydrogen 2.943 N/A GLN 84.A NE2 SER 79.A O no hydrogen 3.052 N/A ALA 85.A N GLY 81.A O no hydrogen 2.849 N/A GLU 86.A N GLU 82.A O no hydrogen 2.979 N/A GLN 87.A N THR 83.A O no hydrogen 2.994 N/A PHE 88.A N GLN 84.A O no hydrogen 3.071 N/A ILE 89.A N ALA 85.A O no hydrogen 2.897 N/A ARG 90.A N.A GLU 86.A O no hydrogen 2.962 N/A ARG 90.A N.B GLU 86.A O no hydrogen 2.940 N/A ARG 90.A NE.A GLN 87.A OE1.A no hydrogen 2.782 N/A ARG 90.A NH1.B GLN 87.A OE1.A no hydrogen 2.068 N/A ARG 90.A NH2.A GLN 87.A OE1.A no hydrogen 2.784 N/A ASN 91.A N PHE 88.A O no hydrogen 3.057 N/A ASN 91.A ND2 GLN 87.A O no hydrogen 2.944 N/A VAL 92.A N PHE 88.A O no hydrogen 2.895 N/A LYS 94.A NZ.B HIS 135.A O no hydrogen 3.353 N/A ALA 98.A N TYR 95.A O.A no hydrogen 2.962 N/A ALA 98.A N TYR 95.A O.B no hydrogen 3.182 N/A LEU 99.A N VAL 69.A O no hydrogen 2.913 N/A VAL 102.A N ALA 71.A O no hydrogen 3.184 N/A ILE 103.A N ILE 141.A O no hydrogen 2.882 N/A ASP 104.A N HIS 73.A O no hydrogen 2.805 N/A VAL 105.A N TYR 143.A O no hydrogen 2.846 N/A LYS 111.A N.A TYR 108.A O no hydrogen 2.970 N/A LYS 111.A N.B TYR 108.A O no hydrogen 2.959 N/A LYS 111.A NZ.A ASP 78.A OD1 no hydrogen 3.551 N/A LYS 111.A NZ.A ASP 78.A OD2 no hydrogen 2.979 N/A LYS 111.A NZ.B ASP 78.A OD2 no hydrogen 2.648 N/A LYS 111.A NZ.B TYR 108.A OH no hydrogen 3.463 N/A LYS 112.A NZ GLU 147.A OE1 no hydrogen 2.684 N/A LYS 112.A NZ GLU 147.A OE2 no hydrogen 2.999 N/A ASP 113.A N ASN 110.A O no hydrogen 2.953 N/A ASN 114.A N LYS 111.A O.A no hydrogen 3.250 N/A ASN 114.A N LYS 111.A O.B no hydrogen 2.962 N/A LYS 117.A NZ PRO 115.A O no hydrogen 3.261 N/A ARG 118.A NH1 LYS 154.A O no hydrogen 3.134 N/A ARG 118.A NH2 LYS 154.A O no hydrogen 2.726 N/A ASP 120.A N LYS 117.A O no hydrogen 3.030 N/A VAL 121.A N LYS 117.A O no hydrogen 3.248 N/A THR 122.A N ARG 118.A O no hydrogen 2.851 N/A THR 122.A OG1 ARG 118.A O no hydrogen 3.172 N/A LYS 123.A N GLU 119.A O no hydrogen 3.055 N/A GLU 124.A N ASP 120.A O no hydrogen 3.417 N/A LEU 125.A N VAL 121.A O no hydrogen 2.824 N/A SER 126.A N THR 122.A O no hydrogen 3.008 N/A SER 126.A OG THR 122.A O no hydrogen 2.683 N/A VAL 127.A N LYS 123.A O no hydrogen 3.351 N/A MET 128.A N GLU 124.A O no hydrogen 3.109 N/A ILE 129.A N LEU 125.A O no hydrogen 2.910 N/A GLU 130.A N SER 126.A O no hydrogen 3.002 N/A MET 131.A N VAL 127.A O no hydrogen 2.998 N/A LEU 132.A N.A MET 128.A O no hydrogen 2.888 N/A LEU 132.A N.B MET 128.A O no hydrogen 2.866 N/A GLU 133.A N ILE 129.A O no hydrogen 2.841 N/A LYS 134.A N GLU 130.A O no hydrogen 3.090 N/A HIS 135.A N MET 131.A O no hydrogen 2.986 N/A TYR 136.A N LEU 132.A O.A no hydrogen 2.967 N/A TYR 136.A N LEU 132.A O.B no hydrogen 2.981 N/A TYR 136.A OH VAL 92.A O no hydrogen 2.717 N/A GLY 137.A N GLU 133.A O no hydrogen 2.849 N/A LYS 138.A NZ.A LYS 96.A O no hydrogen 2.829 N/A LYS 138.A NZ.A ALA 98.A O no hydrogen 3.446 N/A LYS 138.A NZ.A GLY 216.A O no hydrogen 3.009 N/A LYS 138.A NZ.B TYR 95.A O.A no hydrogen 2.794 N/A LYS 138.A NZ.B TYR 95.A O.B no hydrogen 2.720 N/A LYS 138.A NZ.B LYS 96.A O no hydrogen 3.043 N/A LYS 138.A NZ.B ALA 98.A O no hydrogen 2.827 N/A LYS 139.A NZ.B ASP 161.A OD1 no hydrogen 3.119 N/A ILE 141.A N PRO 101.A O no hydrogen 2.960 N/A LEU 142.A N ASP 161.A O no hydrogen 2.820 N/A TYR 143.A N ILE 103.A O no hydrogen 2.902 N/A TYR 143.A OH GLN 183.A OE1 no hydrogen 2.698 N/A ALA 144.A N TRP 163.A O no hydrogen 3.017 N/A ALA 148.A N THR 145.A OG1 no hydrogen 3.309 N/A TYR 149.A N THR 145.A O no hydrogen 2.753 N/A TYR 149.A OH ASP 175.A OD1 no hydrogen 2.684 N/A TYR 149.A OH ASP 175.A OD2 no hydrogen 3.108 N/A ASP 150.A N GLN 146.A O no hydrogen 2.870 N/A LEU 151.A N GLU 147.A O no hydrogen 3.120 N/A TYR 152.A N ALA 148.A O no hydrogen 2.904 N/A TYR 152.A OH PRO 116.A O no hydrogen 2.749 N/A ILE 153.A N.A TYR 149.A O no hydrogen 2.913 N/A ILE 153.A N.B TYR 149.A O no hydrogen 2.907 N/A LYS 154.A N TYR 149.A O no hydrogen 2.815 N/A ASP 155.A N ASP 175.A OD2 no hydrogen 2.884 N/A GLN 159.A N GLN 159.A OE1 no hydrogen 2.706 N/A CYS 160.A N TYR 157.A O no hydrogen 3.165 N/A ASP 161.A N VAL 140.A O no hydrogen 3.032 N/A TRP 163.A N LEU 142.A O no hydrogen 2.811 N/A TRP 163.A NE1 ASN 203.A OD1 no hydrogen 2.883 N/A ILE 164.A N PHE 181.A O no hydrogen 2.964 N/A ARG 165.A N.A ALA 144.A O no hydrogen 3.121 N/A ARG 165.A N.B ALA 144.A O no hydrogen 3.125 N/A ARG 165.A NH1.B GLN 183.A OE1 no hydrogen 3.021 N/A SER 166.A N GLN 183.A O no hydrogen 2.871 N/A SER 166.A OG THR 169.A O no hydrogen 2.829 N/A SER 166.A OG LYS 170.A O no hydrogen 3.375 N/A THR 169.A OG1 SER 166.A OG no hydrogen 2.977 N/A THR 169.A OG1 LYS 170.A O no hydrogen 2.935 N/A SER 174.A OG ASP 150.A OD1 no hydrogen 2.721 N/A GLU 176.A N LEU 173.A O no hydrogen 2.897 N/A ARG 177.A N.A ASP 175.A OD1 no hydrogen 3.451 N/A ARG 177.A N.B ASP 175.A OD1 no hydrogen 3.443 N/A ARG 177.A NH1.A TYR 157.A O no hydrogen 3.035 N/A ARG 177.A NH1.B TYR 157.A O no hydrogen 3.047 N/A ARG 177.A NH2.A CYS 160.A O no hydrogen 3.048 N/A ARG 177.A NH2.B TYR 157.A O no hydrogen 2.971 N/A THR 180.A N ILE 162.A O no hydrogen 2.807 N/A PHE 181.A N ILE 162.A O no hydrogen 3.203 N/A TRP 182.A N VAL 204.A O no hydrogen 2.867 N/A TRP 182.A NE1 SER 166.A O no hydrogen 2.869 N/A GLN 183.A N ILE 164.A O no hydrogen 2.870 N/A GLN 183.A NE2 ASP 19.A OD1 no hydrogen 2.824 N/A GLN 183.A NE2 ASN 203.A OD1 no hydrogen 3.640 N/A TYR 184.A N LEU 202.A O no hydrogen 2.978 N/A THR 185.A OG1 ARG 187.A O.B no hydrogen 2.671 N/A ARG 187.A N.A THR 185.A OG1 no hydrogen 3.092 N/A ARG 187.A N.B THR 185.A OG1 no hydrogen 3.103 N/A ARG 187.A NE.A GLU 197.A OE1 no hydrogen 2.959 N/A ARG 187.A NH1.A SER 3.A O no hydrogen 2.748 N/A ARG 187.A NH1.A HIS 6.A NE2 no hydrogen 3.553 N/A ARG 187.A NH1.A GLU 197.A OE1 no hydrogen 3.443 N/A ARG 187.A NH1.B SER 3.A O no hydrogen 2.743 N/A ARG 187.A NH2.A SER 3.A O no hydrogen 2.955 N/A ARG 187.A NH2.B GLU 197.A OE1 no hydrogen 3.109 N/A GLY 188.A N.A ILE 200.A O no hydrogen 2.943 N/A GLY 188.A N.B LYS 198.A O no hydrogen 3.014 N/A LYS 189.A NZ.A HIS 7.A O no hydrogen 2.582 N/A LYS 189.A NZ.A THR 185.A OG1 no hydrogen 3.228 N/A LYS 189.A NZ.A ARG 187.A O.B no hydrogen 3.414 N/A LYS 189.A NZ.B LEU 190.A O.A no hydrogen 2.806 N/A LYS 189.A NZ.B LEU 190.A O.B no hydrogen 2.781 N/A LEU 190.A N.B LYS 196.A O no hydrogen 2.957 N/A SER 191.A N GLN 35.A OE1 no hydrogen 2.903 N/A TYR 193.A N GLU 31.A OE2 no hydrogen 3.001 N/A TYR 193.A OH ASP 28.A OD2 no hydrogen 2.551 N/A ASN 194.A ND2 ASN 194.A O no hydrogen 2.420 N/A GLY 195.A N GLY 192.A O no hydrogen 2.957 N/A LYS 198.A N GLY 188.A O.B no hydrogen 2.835 N/A LYS 198.A NZ GLN 24.A O no hydrogen 2.782 N/A ILE 200.A N LYS 198.A O no hydrogen 2.973 N/A LEU 202.A N THR 185.A O no hydrogen 3.032 N/A ASN 203.A N GLY 17.A O no hydrogen 2.830 N/A ASN 203.A ND2 GLY 17.A O no hydrogen 3.389 N/A ASN 203.A ND2 ASP 19.A OD1 no hydrogen 2.866 N/A VAL 204.A N TRP 182.A O no hydrogen 2.845 N/A PHE 205.A N ILE 15.A O no hydrogen 2.898 N/A TYR 206.A N THR 180.A O no hydrogen 2.917 N/A ASN 208.A N GLU 211.A OE1 no hydrogen 2.887 N/A GLU 211.A N ASN 208.A OD1 no hydrogen 2.835 N/A PHE 212.A N.A ASN 208.A O no hydrogen 2.851 N/A PHE 212.A N.B ASN 208.A O no hydrogen 2.889 N/A GLU 213.A N GLU 209.A O no hydrogen 2.882 N/A ASN 214.A N GLU 210.A O no hydrogen 3.094 N/A TYR 215.A N PHE 212.A O.A no hydrogen 2.970 N/A TYR 215.A N PHE 212.A O.B no hydrogen 3.177 N/A TYR 215.A OH ASP 161.A OD2 no hydrogen 2.600 N/A MET 217.A N.A ASN 214.A O no hydrogen 3.098 N/A MET 217.A N.B ASN 214.A O no hydrogen 3.066 N/A