Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N LEU 29.A O no hydrogen 2.913 N/A LYS 5.A N LEU 2.A O no hydrogen 3.026 N/A THR 6.A N ASP 86.A OD2 no hydrogen 2.840 N/A TYR 7.A N LYS 32.A O no hydrogen 3.014 N/A TYR 7.A OH LEU 232.A O no hydrogen 2.949 N/A VAL 8.A N GLY 87.A O no hydrogen 3.016 N/A ILE 9.A N VAL 34.A O no hydrogen 2.822 N/A MET 10.A N TYR 89.A O no hydrogen 2.860 N/A GLY 11.A N THR 36.A O no hydrogen 3.435 N/A ALA 13.A N SER 17.A OG no hydrogen 2.829 N/A ASN 14.A N SER 17.A OG no hydrogen 3.118 N/A ARG 16.A N ASN 14.A OD1 no hydrogen 2.866 N/A SER 17.A N ASN 14.A O no hydrogen 3.033 N/A SER 17.A OG ASN 14.A O no hydrogen 3.273 N/A PHE 20.A N SER 17.A O no hydrogen 2.994 N/A GLY 21.A N SER 17.A O no hydrogen 3.456 N/A VAL 22.A N ILE 18.A O no hydrogen 3.100 N/A ALA 23.A N ALA 19.A O no hydrogen 2.887 N/A LYS 24.A N PHE 20.A O no hydrogen 2.895 N/A VAL 25.A N GLY 21.A O no hydrogen 3.226 N/A LEU 26.A N VAL 22.A O no hydrogen 3.034 N/A ASP 27.A N ALA 23.A O no hydrogen 2.841 N/A GLN 28.A N LYS 24.A O no hydrogen 2.965 N/A LEU 29.A N VAL 25.A O no hydrogen 3.024 N/A LEU 29.A N LEU 26.A O no hydrogen 3.104 N/A GLY 30.A N ASP 27.A O no hydrogen 3.027 N/A ALA 31.A N LEU 26.A O no hydrogen 3.139 N/A LYS 32.A N LYS 5.A O no hydrogen 2.944 N/A LEU 33.A N GLN 55.A OE1 no hydrogen 2.843 N/A VAL 34.A N TYR 7.A O no hydrogen 2.991 N/A PHE 35.A N HIS 59.A O no hydrogen 2.902 N/A THR 36.A N ILE 9.A O no hydrogen 3.024 N/A TYR 37.A N TYR 61.A O no hydrogen 2.952 N/A ARG 41.A NE GLU 45.A OE2 no hydrogen 3.147 N/A ARG 41.A NH2 GLU 45.A OE2 no hydrogen 3.204 N/A ARG 43.A N LYS 39.A O no hydrogen 3.270 N/A ARG 43.A NH1 GLU 47.A OE2 no hydrogen 3.010 N/A ARG 43.A NH2 GLU 40.A OE1.B no hydrogen 2.023 N/A LYS 44.A N GLU 40.A O no hydrogen 3.066 N/A GLU 45.A N ARG 41.A O no hydrogen 2.931 N/A LEU 46.A N SER 42.A O no hydrogen 2.917 N/A GLU 47.A N ARG 43.A O no hydrogen 2.879 N/A LYS 48.A N LYS 44.A O no hydrogen 3.179 N/A LYS 48.A NZ GLU 45.A OE1 no hydrogen 3.034 N/A LYS 48.A NZ GLU 45.A OE2 no hydrogen 3.121 N/A LEU 49.A N GLU 45.A O no hydrogen 2.745 N/A LEU 50.A N LEU 46.A O no hydrogen 2.953 N/A GLU 51.A N LYS 48.A O no hydrogen 3.248 N/A GLN 52.A N LEU 49.A O no hydrogen 3.043 N/A LEU 53.A N LEU 50.A O no hydrogen 3.096 N/A ASN 54.A N ASP 27.A OD1 no hydrogen 2.925 N/A ASN 54.A N ASP 27.A OD2 no hydrogen 2.851 N/A GLN 55.A NE2 ASP 27.A OD1 no hydrogen 2.737 N/A GLN 55.A NE2 ALA 31.A O no hydrogen 2.918 N/A TYR 61.A N PHE 35.A O no hydrogen 2.961 N/A TYR 61.A OH ASP 81.A OD2 no hydrogen 2.495 N/A GLN 62.A NE2 ARG 38.A O no hydrogen 2.826 N/A ILE 63.A N TYR 37.A O no hydrogen 2.715 N/A ASP 64.A N GLU 70.A OE1 no hydrogen 2.882 N/A GLN 66.A N ASP 64.A OD1 no hydrogen 2.885 N/A GLN 66.A NE2 ASP 117.A OD2 no hydrogen 3.009 N/A SER 67.A N ASP 64.A O no hydrogen 2.941 N/A GLU 70.A N SER 67.A OG no hydrogen 3.036 N/A VAL 71.A N SER 67.A O no hydrogen 3.175 N/A ILE 72.A N ASP 68.A O no hydrogen 2.848 N/A ASN 73.A N GLU 69.A O no hydrogen 2.754 N/A GLY 74.A N GLU 70.A O no hydrogen 2.835 N/A PHE 75.A N VAL 71.A O no hydrogen 3.020 N/A GLU 76.A N ILE 72.A O no hydrogen 2.956 N/A GLN 77.A N ASN 73.A O no hydrogen 2.914 N/A GLN 77.A NE2 GLN 77.A O no hydrogen 3.616 N/A GLN 77.A NE2 ASP 81.A OD1 no hydrogen 3.027 N/A ILE 78.A N GLY 74.A O no hydrogen 2.856 N/A GLY 79.A N PHE 75.A O no hydrogen 3.050 N/A LYS 80.A N GLU 76.A O no hydrogen 3.088 N/A ASP 81.A N GLN 77.A O no hydrogen 2.902 N/A VAL 82.A N ILE 78.A O no hydrogen 2.740 N/A GLY 83.A N GLY 79.A O no hydrogen 2.928 N/A ILE 85.A N LEU 133.A O no hydrogen 2.868 N/A ASP 86.A N THR 6.A O no hydrogen 2.642 N/A VAL 88.A N SER 139.A O no hydrogen 3.055 N/A TYR 89.A N VAL 8.A O no hydrogen 2.764 N/A TYR 89.A OH THR 143.A OG1 no hydrogen 2.752 N/A HIS 90.A N VAL 141.A O no hydrogen 2.748 N/A HIS 90.A NE2 SER 122.A OG no hydrogen 2.825 N/A SER 91.A N MET 10.A O no hydrogen 2.942 N/A PHE 94.A N SER 119.A OG no hydrogen 3.140 N/A ASP 99.A N.A ASN 96.A O no hydrogen 2.891 N/A LEU 100.A N.A MET 97.A O.A no hydrogen 3.127 N/A LEU 100.A N.B ASN 96.A O no hydrogen 2.882 N/A ARG 101.A N.B MET 97.A O.B no hydrogen 2.759 N/A ARG 101.A NE.B GLY 198.A O no hydrogen 2.795 N/A ARG 101.A NH2.B LYS 197.A O no hydrogen 2.727 N/A GLU 106.A N ARG 103.A O.A no hydrogen 3.083 N/A GLU 106.A N ARG 103.A O.B no hydrogen 2.994 N/A THR 107.A N PHE 104.A O no hydrogen 3.025 N/A THR 107.A OG1 PHE 104.A O no hydrogen 2.707 N/A SER 108.A N ASP 99.A OD1.B no hydrogen 2.918 N/A SER 108.A OG ASP 99.A OD1.B no hydrogen 2.952 N/A SER 108.A OG ASP 99.A OD2.B no hydrogen 3.337 N/A GLY 111.A N SER 108.A OG no hydrogen 2.899 N/A PHE 112.A N SER 108.A O no hydrogen 2.978 N/A LEU 113.A N ARG 109.A O no hydrogen 2.947 N/A LEU 114.A N GLU 110.A O no hydrogen 2.872 N/A ALA 115.A N GLY 111.A O no hydrogen 3.142 N/A GLN 116.A N PHE 112.A O no hydrogen 3.040 N/A GLN 116.A NE2 VAL 160.A O no hydrogen 3.349 N/A ASP 117.A N LEU 113.A O no hydrogen 2.845 N/A ILE 118.A N LEU 114.A O no hydrogen 3.110 N/A SER 119.A N ALA 115.A O no hydrogen 2.893 N/A SER 119.A OG ALA 115.A O no hydrogen 2.819 N/A SER 120.A N GLN 116.A O no hydrogen 2.890 N/A SER 120.A OG SER 164.A OG no hydrogen 2.767 N/A TYR 121.A N GLN 116.A O no hydrogen 2.834 N/A SER 122.A N ASP 117.A O no hydrogen 3.011 N/A SER 122.A OG HIS 90.A NE2 no hydrogen 2.825 N/A SER 122.A OG ILE 118.A O no hydrogen 2.568 N/A LEU 123.A N SER 120.A O no hydrogen 2.955 N/A THR 124.A N TYR 121.A O no hydrogen 2.900 N/A THR 124.A OG1 ASN 168.A OD1 no hydrogen 2.811 N/A ILE 125.A N TYR 121.A O no hydrogen 3.376 N/A VAL 126.A N SER 122.A O no hydrogen 3.012 N/A ALA 127.A N LEU 123.A O no hydrogen 2.839 N/A HIS 128.A N THR 124.A O no hydrogen 2.914 N/A HIS 128.A ND1 GLU 129.A OE2 no hydrogen 2.846 N/A GLU 129.A N ILE 125.A O no hydrogen 3.000 N/A ALA 130.A N VAL 126.A O no hydrogen 2.760 N/A LYS 131.A N ALA 127.A O no hydrogen 2.879 N/A LYS 132.A N GLU 129.A O no hydrogen 3.190 N/A LYS 132.A NZ GLU 129.A OE1 no hydrogen 2.965 N/A LEU 133.A N ALA 130.A O no hydrogen 2.940 N/A MET 134.A N LYS 131.A O no hydrogen 3.078 N/A GLY 137.A N MET 134.A O no hydrogen 3.026 N/A GLY 138.A N ASN 180.A O no hydrogen 3.036 N/A SER 139.A N ASP 86.A O no hydrogen 3.067 N/A SER 139.A OG LEU 231.A O no hydrogen 2.661 N/A ILE 140.A N ARG 182.A O no hydrogen 2.852 N/A VAL 141.A N VAL 88.A O no hydrogen 2.966 N/A ALA 142.A N ASN 184.A O no hydrogen 3.012 N/A THR 143.A OG1 TYR 89.A OH no hydrogen 2.752 N/A THR 143.A OG1 HIS 90.A O no hydrogen 2.990 N/A THR 144.A N ILE 186.A O no hydrogen 2.737 N/A THR 144.A OG1 TYR 145.A O no hydrogen 3.564 N/A THR 144.A OG1 GLU 166.A OE2 no hydrogen 2.597 N/A TYR 145.A N THR 144.A OG1 no hydrogen 2.735 N/A GLY 148.A N TYR 145.A O no hydrogen 2.821 N/A GLU 149.A N LEU 146.A O no hydrogen 2.922 N/A PHE 150.A N LEU 146.A O no hydrogen 3.175 N/A TYR 155.A N VAL 152.A O no hydrogen 3.429 N/A ASN 156.A ND2 LEU 100.A O.B no hydrogen 3.496 N/A ASN 156.A ND2 GLY 102.A O.A no hydrogen 2.896 N/A ASN 156.A ND2 GLY 102.A O.B no hydrogen 2.687 N/A VAL 157.A N ASP 99.A O.A no hydrogen 3.351 N/A MET 158.A N TYR 155.A O no hydrogen 2.930 N/A GLY 159.A N ASN 156.A O no hydrogen 2.888 N/A ALA 161.A N VAL 157.A O no hydrogen 3.053 N/A LYS 162.A N MET 158.A O no hydrogen 2.701 N/A LYS 162.A NZ THR 143.A O no hydrogen 2.864 N/A ALA 163.A N GLY 159.A O no hydrogen 3.016 N/A SER 164.A N VAL 160.A O no hydrogen 3.026 N/A SER 164.A OG GLN 116.A OE1 no hydrogen 2.710 N/A SER 164.A OG SER 120.A OG no hydrogen 2.767 N/A LEU 165.A N ALA 161.A O no hydrogen 2.878 N/A GLU 166.A N LYS 162.A O no hydrogen 2.769 N/A ALA 167.A N ALA 163.A O no hydrogen 3.029 N/A ASN 168.A N SER 164.A O no hydrogen 2.844 N/A ASN 168.A ND2 SER 120.A OG no hydrogen 3.143 N/A ASN 168.A ND2 THR 124.A OG1 no hydrogen 2.900 N/A VAL 169.A N LEU 165.A O no hydrogen 2.915 N/A LYS 170.A N GLU 166.A O no hydrogen 3.353 N/A TYR 171.A N ALA 167.A O no hydrogen 2.903 N/A LEU 172.A N ASN 168.A O no hydrogen 2.789 N/A ALA 173.A N VAL 169.A O no hydrogen 2.782 N/A LEU 174.A N LYS 170.A O no hydrogen 3.089 N/A ASP 175.A N TYR 171.A O no hydrogen 3.006 N/A LEU 176.A N LEU 172.A O no hydrogen 2.827 N/A GLY 177.A N ALA 173.A O no hydrogen 2.955 N/A ASP 179.A N LEU 176.A O no hydrogen 2.864 N/A ASN 180.A N GLY 177.A O no hydrogen 2.832 N/A ASN 180.A ND2 GLU 136.A O no hydrogen 3.352 N/A ILE 181.A N LEU 176.A O no hydrogen 3.214 N/A ARG 182.A N GLY 138.A O no hydrogen 2.915 N/A ARG 182.A NH1 LEU 231.A O no hydrogen 3.342 N/A ARG 182.A NH1 VAL 239.A O no hydrogen 3.149 N/A ARG 182.A NH2 LEU 231.A O no hydrogen 3.186 N/A VAL 183.A N THR 240.A OG1 no hydrogen 2.945 N/A ASN 184.A N ILE 140.A O no hydrogen 2.982 N/A ASN 184.A ND2 VAL 239.A O no hydrogen 3.078 N/A ALA 185.A N GLU 242.A O no hydrogen 2.872 N/A ILE 186.A N ALA 142.A O no hydrogen 2.911 N/A SER 187.A N ILE 244.A O no hydrogen 2.813 N/A ALA 188.A N THR 144.A O no hydrogen 3.112 N/A GLY 189.A N VAL 246.A O no hydrogen 2.837 N/A ARG 192.A NH1 ASN 203.A OD1 no hydrogen 3.012 N/A ARG 192.A NH2 ASN 203.A OD1 no hydrogen 2.406 N/A ALA 196.A N THR 193.A O no hydrogen 3.077 N/A ALA 196.A N THR 193.A OG1 no hydrogen 3.192 N/A LYS 197.A N LEU 194.A O no hydrogen 3.209 N/A GLY 198.A N SER 195.A O no hydrogen 2.987 N/A VAL 199.A N ALA 196.A O no hydrogen 3.016 N/A GLY 200.A N LEU 100.A O.A no hydrogen 2.844 N/A ILE 205.A N GLY 201.A O no hydrogen 3.123 N/A LEU 206.A N PHE 202.A O no hydrogen 3.035 N/A LYS 207.A N ASN 203.A O no hydrogen 3.037 N/A LYS 207.A NZ GLU 211.A OE2 no hydrogen 3.215 N/A GLU 208.A N THR 204.A O no hydrogen 3.093 N/A ILE 209.A N ILE 205.A O no hydrogen 3.363 N/A GLU 210.A N LEU 206.A O no hydrogen 3.398 N/A GLU 211.A N LYS 207.A O no hydrogen 2.989 N/A ARG 212.A N GLU 208.A O no hydrogen 2.835 N/A ARG 212.A N ILE 209.A O no hydrogen 3.236 N/A ALA 213.A N ILE 209.A O no hydrogen 2.840 N/A LEU 215.A N SER 248.A O no hydrogen 3.059 N/A LYS 216.A N ALA 213.A O no hydrogen 2.686 N/A LYS 216.A NZ ALA 213.A O no hydrogen 3.161 N/A ARG 217.A NH1 ASN 218.A O no hydrogen 3.039 N/A ARG 217.A NH1 GLU 223.A OE1 no hydrogen 3.013 N/A ARG 217.A NH1 GLU 223.A OE2 no hydrogen 3.444 N/A ARG 217.A NH2 GLU 223.A OE2 no hydrogen 2.814 N/A ASN 218.A ND2 LEU 206.A O no hydrogen 3.041 N/A ASP 220.A N GLU 223.A OE1 no hydrogen 3.288 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.786 N/A GLN 221.A NE2 ARG 16.A O no hydrogen 2.788 N/A GLU 223.A N ASP 220.A O no hydrogen 3.096 N/A GLU 223.A N ASP 220.A OD1 no hydrogen 2.992 N/A VAL 224.A N ASP 220.A O no hydrogen 3.292 N/A GLY 225.A N GLN 221.A O no hydrogen 2.891 N/A LYS 226.A N VAL 222.A O no hydrogen 2.738 N/A THR 227.A N GLU 223.A O no hydrogen 3.301 N/A ALA 228.A N VAL 224.A O no hydrogen 2.830 N/A ALA 229.A N GLY 225.A O no hydrogen 2.955 N/A TYR 230.A N LYS 226.A O no hydrogen 3.165 N/A LEU 231.A N THR 227.A O no hydrogen 2.899 N/A LEU 232.A N ALA 228.A O no hydrogen 2.815 N/A SER 233.A N TYR 230.A O no hydrogen 3.278 N/A SER 233.A OG ALA 229.A O no hydrogen 3.046 N/A SER 233.A OG TYR 230.A O no hydrogen 3.160 N/A LEU 235.A N SER 233.A OG no hydrogen 3.176 N/A SER 236.A N SER 233.A O no hydrogen 3.365 N/A SER 236.A OG TYR 230.A O no hydrogen 2.853 N/A SER 236.A OG LEU 231.A O no hydrogen 2.994 N/A SER 236.A OG SER 233.A O no hydrogen 3.159 N/A SER 237.A N.A ASP 234.A O no hydrogen 3.077 N/A SER 237.A N.B ASP 234.A O no hydrogen 3.067 N/A SER 237.A OG.B ASP 234.A O no hydrogen 3.399 N/A VAL 239.A N SER 236.A O no hydrogen 3.048 N/A THR 240.A OG1 VAL 183.A O no hydrogen 3.481 N/A GLY 241.A N VAL 183.A O no hydrogen 2.715 N/A GLU 242.A N ASN 184.A OD1 no hydrogen 2.851 N/A ASN 243.A N GLU 242.A OE1 no hydrogen 2.876 N/A ILE 244.A N ALA 185.A O no hydrogen 2.935 N/A HIS 245.A NE2 GLU 149.A OE1 no hydrogen 2.703 N/A VAL 246.A N SER 187.A O no hydrogen 2.891 N/A SER 248.A OG ARG 217.A O no hydrogen 2.647 N/A GLY 249.A N ASP 247.A OD1 no hydrogen 3.005 N/A PHE 250.A N ASP 247.A O no hydrogen 3.151 N/A HIS 251.A N ASP 247.A OD2 no hydrogen 2.819 N/A HIS 251.A ND1 ASP 247.A OD1 no hydrogen 3.173 N/A HIS 251.A ND1 ASP 247.A OD2 no hydrogen 3.218 N/A ALA 252.A N GLY 249.A O no hydrogen 3.017 N/A ILE 253.A N PHE 250.A O no hydrogen 3.284 N/A