Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4atm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE GLN 138.A OE1 no hydrogen 2.870 N/A LYS 5.A N ALA 2.A O no hydrogen 2.820 N/A GLN 8.A N GLN 8.A OE1 no hydrogen 2.737 N/A LYS 9.A N LYS 5.A O no hydrogen 3.072 N/A LEU 10.A N VAL 6.A O no hydrogen 2.931 N/A GLY 11.A N LEU 7.A O no hydrogen 2.985 N/A LYS 12.A N GLN 8.A O no hydrogen 3.189 N/A ALA 13.A N LYS 9.A O no hydrogen 3.072 N/A ASP 14.A N LEU 10.A O no hydrogen 2.778 N/A GLU 15.A N GLY 11.A O no hydrogen 2.984 N/A THR 16.A N LYS 12.A O no hydrogen 3.052 N/A THR 16.A OG1 LYS 12.A O no hydrogen 3.267 N/A LYS 17.A N ALA 13.A O no hydrogen 2.925 N/A ASP 18.A N ASP 14.A O no hydrogen 2.835 N/A GLU 19.A N GLU 15.A O no hydrogen 2.885 N/A GLN 20.A N THR 16.A O no hydrogen 3.193 N/A PHE 21.A N LYS 17.A O no hydrogen 2.939 N/A GLU 22.A N ASP 18.A O no hydrogen 2.859 N/A GLU 23.A N GLU 19.A O no hydrogen 3.204 N/A TYR 24.A N GLN 20.A O no hydrogen 3.124 N/A VAL 25.A N PHE 21.A O no hydrogen 2.980 N/A GLN 26.A N GLU 22.A O no hydrogen 3.082 N/A ASN 27.A N GLU 23.A O no hydrogen 3.261 N/A PHE 28.A N TYR 24.A O no hydrogen 2.853 N/A LYS 29.A N VAL 25.A O no hydrogen 2.908 N/A ARG 30.A N GLN 26.A O no hydrogen 3.042 N/A GLN 31.A N ASN 27.A O no hydrogen 2.801 N/A GLN 31.A NE2 TYR 106.A OH no hydrogen 2.905 N/A GLN 31.A NE2 LEU 176.A O no hydrogen 2.838 N/A GLU 32.A N PHE 28.A O no hydrogen 2.919 N/A ALA 33.A N LYS 29.A O no hydrogen 3.005 N/A GLU 34.A N ARG 30.A O no hydrogen 2.887 N/A GLY 35.A N GLN 31.A O no hydrogen 3.035 N/A THR 36.A N GLU 32.A O no hydrogen 2.971 N/A THR 36.A OG1.A GLU 32.A O no hydrogen 3.038 N/A THR 36.A OG1.B GLU 32.A O no hydrogen 3.350 N/A THR 36.A OG1.B ALA 33.A O no hydrogen 3.041 N/A ARG 37.A N.A ALA 33.A O no hydrogen 3.008 N/A ARG 37.A N.B ALA 33.A O no hydrogen 3.024 N/A LEU 38.A N GLU 34.A O no hydrogen 2.993 N/A GLN 39.A N GLY 35.A O no hydrogen 2.864 N/A GLN 39.A NE2 ASP 104.A OD1 no hydrogen 2.406 N/A ARG 40.A N THR 36.A O no hydrogen 2.936 N/A GLU 41.A N ARG 37.A O.A no hydrogen 3.037 N/A GLU 41.A N ARG 37.A O.B no hydrogen 2.985 N/A LEU 42.A N LEU 38.A O no hydrogen 2.804 N/A ARG 43.A N GLN 39.A O no hydrogen 2.935 N/A GLY 44.A N ARG 40.A O no hydrogen 2.902 N/A TYR 45.A N GLU 41.A O no hydrogen 2.897 N/A TYR 45.A OH GLU 195.A OE1.B no hydrogen 2.450 N/A TYR 45.A OH GLU 195.A OE2.A no hydrogen 2.144 N/A LEU 46.A N LEU 42.A O no hydrogen 2.916 N/A ALA 47.A N ARG 43.A O no hydrogen 2.987 N/A ALA 48.A N GLY 44.A O no hydrogen 3.031 N/A ILE 49.A N TYR 45.A O no hydrogen 2.867 N/A LYS 50.A N LEU 46.A O no hydrogen 2.991 N/A LYS 50.A NZ GLN 53.A OE1 no hydrogen 2.724 N/A GLY 51.A N ALA 47.A O no hydrogen 2.949 N/A MET 52.A N ALA 48.A O no hydrogen 2.965 N/A GLN 53.A N ILE 49.A O no hydrogen 2.862 N/A GLN 53.A NE2 ASP 85.A OD1 no hydrogen 2.957 N/A GLN 53.A NE2 GLU 89.A OE1 no hydrogen 3.082 N/A GLU 54.A N LYS 50.A O no hydrogen 2.981 N/A ALA 55.A N GLY 51.A O no hydrogen 2.984 N/A SER 56.A N MET 52.A O no hydrogen 2.810 N/A MET 57.A N GLN 53.A O no hydrogen 3.030 N/A LYS 58.A N GLU 54.A O no hydrogen 3.160 N/A LEU 59.A N ALA 55.A O no hydrogen 3.275 N/A THR 60.A N SER 56.A O no hydrogen 3.151 N/A THR 60.A OG1.A SER 56.A O no hydrogen 3.171 N/A THR 60.A OG1.B SER 56.A O no hydrogen 3.485 N/A THR 60.A OG1.B MET 57.A O no hydrogen 3.008 N/A GLU 61.A N MET 57.A O no hydrogen 2.857 N/A SER 62.A N LYS 58.A O no hydrogen 2.944 N/A SER 62.A OG LEU 59.A O no hydrogen 2.772 N/A LEU 63.A N LEU 59.A O no hydrogen 3.235 N/A HIS 64.A N THR 60.A O no hydrogen 2.987 N/A GLU 65.A N GLU 61.A O no hydrogen 2.966 N/A VAL 66.A N SER 62.A O no hydrogen 3.279 N/A VAL 66.A N LEU 63.A O no hydrogen 3.232 N/A TYR 67.A OH TYR 72.A O no hydrogen 2.747 N/A TRP 71.A N GLU 68.A O no hydrogen 3.160 N/A TYR 72.A N GLN 219.A OE1 no hydrogen 2.840 N/A VAL 77.A N GLY 73.A O no hydrogen 2.879 N/A LYS 78.A N ARG 74.A O no hydrogen 3.141 N/A LYS 78.A NZ GLU 82.A OE2 no hydrogen 2.684 N/A MET 79.A N GLU 75.A O no hydrogen 3.001 N/A VAL 80.A N ASP 76.A O no hydrogen 2.915 N/A GLY 81.A N VAL 77.A O no hydrogen 3.038 N/A GLU 82.A N LYS 78.A O no hydrogen 2.956 N/A LYS 83.A N MET 79.A O no hydrogen 2.906 N/A CYS 84.A N VAL 80.A O no hydrogen 2.916 N/A CYS 84.A SG.A VAL 80.A O no hydrogen 3.328 N/A ASP 85.A N GLY 81.A O no hydrogen 3.089 N/A VAL 86.A N GLU 82.A O no hydrogen 3.096 N/A LEU 87.A N LYS 83.A O no hydrogen 3.020 N/A TRP 88.A N CYS 84.A O no hydrogen 2.947 N/A GLU 89.A N ASP 85.A O no hydrogen 2.848 N/A ASP 90.A N VAL 86.A O no hydrogen 2.919 N/A PHE 91.A N LEU 87.A O no hydrogen 3.006 N/A HIS 92.A N TRP 88.A O no hydrogen 2.954 N/A GLN 93.A N GLU 89.A O no hydrogen 2.968 N/A LYS 94.A N ASP 90.A O no hydrogen 2.825 N/A LEU 95.A N PHE 91.A O no hydrogen 3.159 N/A VAL 96.A N HIS 92.A O no hydrogen 3.015 N/A ASP 97.A N GLN 93.A O no hydrogen 2.881 N/A GLU 98.A N LYS 94.A O no hydrogen 2.893 N/A SER 99.A N ASN 190.A OD1 no hydrogen 3.024 N/A SER 99.A OG LEU 95.A O no hydrogen 3.223 N/A LEU 100.A N LEU 95.A O no hydrogen 3.067 N/A LEU 101.A N VAL 96.A O no hydrogen 3.073 N/A THR 102.A N GLU 98.A O no hydrogen 2.886 N/A THR 102.A OG1 GLU 98.A O no hydrogen 2.966 N/A LEU 103.A N SER 99.A O no hydrogen 2.992 N/A ASP 104.A N LEU 100.A O no hydrogen 2.871 N/A THR 105.A N LEU 101.A O no hydrogen 2.976 N/A THR 105.A OG1 LEU 101.A O no hydrogen 3.375 N/A THR 105.A OG1 THR 102.A O no hydrogen 2.909 N/A TYR 106.A N THR 102.A O no hydrogen 2.971 N/A LEU 107.A N LEU 103.A O no hydrogen 2.887 N/A GLY 108.A N ASP 104.A O no hydrogen 2.979 N/A GLN 109.A N TYR 106.A O no hydrogen 3.426 N/A GLN 109.A NE2 TYR 106.A O no hydrogen 3.019 N/A PHE 110.A N LEU 107.A O no hydrogen 3.160 N/A LYS 114.A N PHE 110.A O no hydrogen 2.889 N/A LYS 114.A NZ GLU 32.A OE1 no hydrogen 3.269 N/A LYS 114.A NZ GLU 32.A OE2 no hydrogen 3.169 N/A ASN 115.A N PRO 111.A O no hydrogen 3.014 N/A ARG 116.A N ASP 112.A O no hydrogen 3.034 N/A ARG 116.A NH1 ASP 112.A OD2 no hydrogen 3.561 N/A ARG 116.A NH1 GLU 172.A OE1 no hydrogen 2.585 N/A ARG 116.A NH2 GLU 172.A OE1 no hydrogen 2.913 N/A ARG 116.A NH2 GLU 172.A OE2 no hydrogen 2.530 N/A ILE 117.A N ILE 113.A O no hydrogen 2.871 N/A ALA 118.A N LYS 114.A O no hydrogen 3.036 N/A LYS 119.A N ASN 115.A O no hydrogen 3.040 N/A ARG 120.A N ARG 116.A O no hydrogen 2.886 N/A ARG 120.A NE ASN 166.A OD1 no hydrogen 2.779 N/A ARG 120.A NH1 ASP 18.A OD1 no hydrogen 3.511 N/A ARG 120.A NH2 ASP 18.A OD1 no hydrogen 2.908 N/A ARG 120.A NH2 ASN 166.A OD1 no hydrogen 3.429 N/A SER 121.A N ILE 117.A O no hydrogen 3.115 N/A ARG 122.A N ALA 118.A O no hydrogen 3.333 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 3.398 N/A ARG 122.A NH1 ASP 126.A OD1 no hydrogen 2.391 N/A LYS 123.A N LYS 119.A O no hydrogen 2.944 N/A LEU 124.A N ARG 120.A O no hydrogen 2.805 N/A VAL 125.A N SER 121.A O no hydrogen 3.093 N/A ASP 126.A N ARG 122.A O no hydrogen 3.177 N/A TYR 127.A N LYS 123.A O no hydrogen 2.993 N/A TYR 127.A OH ASP 14.A OD2 no hydrogen 2.584 N/A TYR 127.A OH GLN 159.A OE1 no hydrogen 3.279 N/A ASP 128.A N LEU 124.A O no hydrogen 2.754 N/A SER 129.A N VAL 125.A O no hydrogen 2.921 N/A SER 129.A OG.B VAL 125.A O no hydrogen 3.163 N/A ALA 130.A N ASP 126.A O no hydrogen 2.920 N/A ARG 131.A N TYR 127.A O no hydrogen 2.914 N/A ARG 131.A NH1 LEU 7.A O no hydrogen 3.163 N/A HIS 132.A N ASP 128.A O no hydrogen 3.064 N/A HIS 132.A ND1 ASP 128.A O no hydrogen 3.056 N/A HIS 133.A N SER 129.A O no hydrogen 2.983 N/A LEU 134.A N ALA 130.A O no hydrogen 3.036 N/A GLU 135.A N ARG 131.A O no hydrogen 3.026 N/A ALA 136.A N HIS 132.A O no hydrogen 2.992 N/A LEU 137.A N HIS 133.A O no hydrogen 3.011 N/A GLN 138.A N LEU 134.A O no hydrogen 2.951 N/A SER 139.A N ALA 136.A O no hydrogen 3.336 N/A SER 139.A OG GLU 135.A O no hydrogen 3.052 N/A SER 139.A OG ALA 136.A O no hydrogen 3.171 N/A SER 140.A OG LEU 137.A O no hydrogen 2.805 N/A SER 140.A OG ARG 142.A O no hydrogen 2.613 N/A SER 146.A OG ASP 144.A OD1 no hydrogen 3.053 N/A ARG 147.A N ASP 144.A OD1 no hydrogen 2.908 N/A ILE 148.A N ASP 144.A O no hydrogen 2.904 N/A SER 149.A N GLU 145.A O no hydrogen 2.842 N/A SER 149.A OG GLU 145.A O no hydrogen 2.873 N/A LYS 150.A N SER 146.A O no hydrogen 3.285 N/A ALA 151.A N ARG 147.A O no hydrogen 3.078 N/A GLU 152.A N ILE 148.A O no hydrogen 2.777 N/A GLU 153.A N SER 149.A O no hydrogen 3.032 N/A GLU 154.A N LYS 150.A O no hydrogen 2.934 N/A PHE 155.A N ALA 151.A O no hydrogen 2.852 N/A GLN 156.A N GLU 152.A O no hydrogen 2.871 N/A LYS 157.A N GLU 153.A O no hydrogen 2.884 N/A ALA 158.A N GLU 154.A O no hydrogen 2.913 N/A GLN 159.A N PHE 155.A O no hydrogen 2.968 N/A LYS 160.A N GLN 156.A O no hydrogen 3.009 N/A VAL 161.A N LYS 157.A O no hydrogen 2.941 N/A PHE 162.A N ALA 158.A O no hydrogen 2.983 N/A GLU 163.A N GLN 159.A O no hydrogen 2.867 N/A GLU 164.A N LYS 160.A O no hydrogen 2.951 N/A ASN 166.A N PHE 162.A O no hydrogen 2.855 N/A ASN 166.A ND2 GLU 163.A OE1 no hydrogen 3.101 N/A VAL 167.A N GLU 163.A O no hydrogen 2.993 N/A LEU 169.A N PHE 165.A O no hydrogen 3.232 N/A GLN 170.A N ASN 166.A O no hydrogen 2.813 N/A GLU 171.A N VAL 167.A O no hydrogen 3.278 N/A GLU 171.A N ASP 168.A O no hydrogen 3.062 N/A GLU 172.A N ASP 168.A O no hydrogen 2.770 N/A LEU 173.A N LEU 169.A O no hydrogen 2.954 N/A SER 175.A N GLU 171.A O no hydrogen 3.346 N/A SER 175.A OG.B GLU 171.A O no hydrogen 3.089 N/A SER 175.A OG.B GLU 171.A OE2 no hydrogen 2.942 N/A LEU 176.A N GLU 172.A O no hydrogen 2.892 N/A TRP 177.A N LEU 173.A O no hydrogen 2.928 N/A SER 178.A N PRO 174.A O no hydrogen 2.882 N/A SER 178.A OG PRO 174.A O no hydrogen 3.550 N/A ARG 179.A N SER 175.A O no hydrogen 3.094 N/A ARG 179.A N LEU 176.A O no hydrogen 3.164 N/A ARG 179.A NH2 GLN 109.A OE1 no hydrogen 3.348 N/A ARG 180.A N TRP 177.A O no hydrogen 3.154 N/A ARG 180.A NH1.A TRP 177.A O no hydrogen 3.083 N/A ARG 180.A NH1.B GLU 34.A OE1 no hydrogen 3.227 N/A PHE 183.A N ARG 179.A O no hydrogen 3.057 N/A TYR 184.A N ARG 180.A O no hydrogen 2.992 N/A TYR 184.A OH GLU 34.A OE1 no hydrogen 2.738 N/A VAL 185.A N VAL 181.A O no hydrogen 2.779 N/A ASN 186.A N GLY 182.A O no hydrogen 2.994 N/A THR 187.A N PHE 183.A O no hydrogen 3.023 N/A THR 187.A OG1 PHE 183.A O no hydrogen 2.800 N/A PHE 188.A N TYR 184.A O no hydrogen 3.019 N/A LYS 189.A N VAL 185.A O no hydrogen 2.791 N/A ASN 190.A N ASN 186.A O no hydrogen 3.079 N/A VAL 191.A N THR 187.A O no hydrogen 2.970 N/A SER 192.A N PHE 188.A O no hydrogen 2.938 N/A SER 192.A OG PHE 188.A O no hydrogen 2.737 N/A SER 192.A OG LYS 189.A O no hydrogen 3.486 N/A SER 193.A N LYS 189.A O no hydrogen 2.932 N/A SER 193.A OG LYS 189.A O no hydrogen 2.689 N/A SER 193.A OG ASN 190.A O no hydrogen 3.232 N/A LEU 194.A N ASN 190.A O no hydrogen 3.147 N/A GLU 195.A N VAL 191.A O no hydrogen 2.980 N/A ALA 196.A N SER 192.A O no hydrogen 2.903 N/A LYS 197.A N SER 193.A O no hydrogen 3.172 N/A PHE 198.A N LEU 194.A O no hydrogen 2.946 N/A HIS 199.A N GLU 195.A O no hydrogen 2.900 N/A HIS 199.A NE2 GLU 195.A OE2.B no hydrogen 2.874 N/A LYS 200.A N ALA 196.A O no hydrogen 3.150 N/A GLU 201.A N LYS 197.A O no hydrogen 3.001 N/A ILE 202.A N PHE 198.A O no hydrogen 2.901 N/A ALA 203.A N HIS 199.A O no hydrogen 3.172 N/A CYS 206.A N ILE 202.A O no hydrogen 2.974 N/A CYS 206.A SG ILE 202.A O no hydrogen 3.381 N/A HIS 207.A N ALA 203.A O no hydrogen 2.907 N/A LYS 208.A N VAL 204.A O no hydrogen 2.969 N/A LYS 208.A NZ.A GLU 211.A OE1 no hydrogen 2.873 N/A LYS 208.A NZ.A GLU 211.A OE2 no hydrogen 3.504 N/A LYS 208.A NZ.B GLU 211.A OE1 no hydrogen 3.329 N/A LEU 209.A N LEU 205.A O no hydrogen 2.944 N/A TYR 210.A N CYS 206.A O no hydrogen 3.035 N/A GLU 211.A N HIS 207.A O no hydrogen 2.961 N/A VAL 212.A N LYS 208.A O no hydrogen 2.949 N/A MET 213.A N LEU 209.A O no hydrogen 2.894 N/A THR 214.A N TYR 210.A O no hydrogen 2.861 N/A THR 214.A OG1 TYR 210.A O no hydrogen 2.780 N/A LYS 215.A N GLU 211.A O no hydrogen 3.046 N/A LYS 215.A NZ GLU 211.A OE2 no hydrogen 2.530 N/A LEU 216.A N VAL 212.A O no hydrogen 2.815 N/A GLY 217.A N MET 213.A O no hydrogen 2.811 N/A ASP 218.A N THR 214.A O no hydrogen 2.886 N/A GLN 219.A N LYS 215.A O no hydrogen 2.874 N/A GLN 219.A NE2 ASP 70.A O no hydrogen 3.286 N/A HIS 220.A N LEU 216.A O no hydrogen 3.216 N/A ALA 221.A N ASP 218.A O no hydrogen 3.094 N/A