Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v9y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 1.A OE2 no hydrogen 3.470 N/A ALA 3.A N GLU 1.A OE2 no hydrogen 3.170 N/A LEU 5.A N GLU 1.A O no hydrogen 3.340 N/A ARG 6.A N SER 2.A O no hydrogen 2.658 N/A ARG 6.A NH1 GLN 204.A OE1 no hydrogen 2.696 N/A ARG 6.A NH2 GLN 204.A OE1 no hydrogen 3.007 N/A ALA 7.A N ALA 3.A O no hydrogen 2.877 N/A LEU 8.A N ASP 4.A O no hydrogen 2.934 N/A ALA 9.A N LEU 5.A O no hydrogen 3.037 N/A LYS 10.A N ARG 6.A O no hydrogen 2.967 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 3.003 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 2.901 N/A HIS 11.A N ALA 7.A O no hydrogen 2.849 N/A HIS 11.A NE2 SER 86.A O no hydrogen 3.004 N/A LEU 12.A N LEU 8.A O no hydrogen 2.979 N/A TYR 13.A N ALA 9.A O no hydrogen 2.979 N/A ASP 14.A N LYS 10.A O no hydrogen 2.865 N/A SER 15.A N HIS 11.A O no hydrogen 2.977 N/A SER 15.A OG HIS 11.A O no hydrogen 2.736 N/A TYR 16.A N LEU 12.A O no hydrogen 2.845 N/A TYR 16.A OH ASP 165.A OD1 no hydrogen 2.758 N/A ILE 17.A N TYR 13.A O no hydrogen 3.022 N/A LYS 18.A N ASP 14.A O no hydrogen 3.216 N/A SER 19.A N SER 15.A O no hydrogen 2.888 N/A SER 19.A OG SER 15.A O no hydrogen 2.987 N/A SER 19.A OG GLU 82.A OE2 no hydrogen 3.329 N/A PHE 20.A N TYR 16.A O no hydrogen 2.898 N/A LYS 24.A N ASP 165.A OD1 no hydrogen 2.825 N/A LYS 24.A NZ LEU 163.A O no hydrogen 2.606 N/A ALA 25.A N ASP 165.A OD2 no hydrogen 3.016 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.139 N/A ALA 27.A N THR 23.A O no hydrogen 2.721 N/A ARG 28.A N LYS 24.A O no hydrogen 2.759 N/A ALA 29.A N ALA 25.A O no hydrogen 2.968 N/A ILE 30.A N LYS 26.A O no hydrogen 3.209 N/A LEU 31.A N ALA 27.A O no hydrogen 2.970 N/A THR 32.A N ARG 28.A O no hydrogen 2.845 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.903 N/A THR 32.A OG1 ALA 29.A O no hydrogen 3.180 N/A GLY 33.A N ILE 30.A O no hydrogen 3.215 N/A LYS 34.A N THR 32.A OG1 no hydrogen 3.400 N/A THR 35.A N ALA 29.A O no hydrogen 3.462 N/A PHE 41.A N GLN 129.A O no hydrogen 3.138 N/A ILE 43.A N PHE 131.A O no hydrogen 2.841 N/A TYR 44.A N SER 48.A OG no hydrogen 2.890 N/A ASP 45.A N SER 48.A OG no hydrogen 2.786 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.483 N/A SER 48.A OG ASP 45.A O no hydrogen 3.017 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.558 N/A LEU 49.A N ASP 45.A O no hydrogen 3.026 N/A MET 50.A N MET 46.A O no hydrogen 3.233 N/A MET 51.A N ASN 47.A O no hydrogen 3.102 N/A GLY 52.A N SER 48.A O no hydrogen 2.907 N/A LYS 55.A N GLY 52.A O no hydrogen 3.208 N/A ILE 56.A N GLY 52.A O no hydrogen 3.214 N/A LYS 57.A N GLU 53.A O no hydrogen 2.909 N/A ARG 64.A N GLU 60.A O no hydrogen 2.859 N/A ARG 64.A NE GLU 53.A OE2 no hydrogen 3.126 N/A ARG 64.A NH1 ARG 64.A O no hydrogen 2.685 N/A ARG 64.A NH2 GLU 53.A OE1 no hydrogen 2.838 N/A ILE 65.A N VAL 61.A O no hydrogen 2.846 N/A PHE 66.A N ALA 62.A O no hydrogen 3.070 N/A GLN 67.A N ILE 63.A O no hydrogen 2.947 N/A GLY 68.A N ARG 64.A O no hydrogen 3.163 N/A CYS 69.A N ILE 65.A O no hydrogen 2.893 N/A CYS 69.A SG ILE 65.A O no hydrogen 3.488 N/A GLN 70.A N PHE 66.A O no hydrogen 3.153 N/A GLN 70.A NE2 SER 248.A O no hydrogen 3.599 N/A PHE 71.A N GLN 67.A O no hydrogen 3.106 N/A ARG 72.A N GLY 68.A O no hydrogen 3.144 N/A ARG 72.A NH1 GLU 75.A OE1 no hydrogen 2.766 N/A ARG 72.A NH1 GLU 79.A OE2 no hydrogen 3.182 N/A ARG 72.A NH2 GLU 79.A OE1 no hydrogen 3.405 N/A SER 73.A N CYS 69.A O no hydrogen 2.949 N/A SER 73.A OG CYS 69.A O no hydrogen 3.421 N/A VAL 74.A N GLN 70.A O no hydrogen 2.848 N/A GLU 75.A N PHE 71.A O no hydrogen 3.155 N/A ALA 76.A N ARG 72.A O no hydrogen 2.761 N/A VAL 77.A N SER 73.A O no hydrogen 2.900 N/A GLN 78.A N VAL 74.A O no hydrogen 3.310 N/A GLN 78.A NE2 VAL 74.A O no hydrogen 3.601 N/A GLU 79.A N GLU 75.A O no hydrogen 3.116 N/A ILE 80.A N ALA 76.A O no hydrogen 2.725 N/A THR 81.A N VAL 77.A O no hydrogen 2.914 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.790 N/A GLU 82.A N GLN 78.A O no hydrogen 3.004 N/A TYR 83.A N GLU 79.A O no hydrogen 2.950 N/A TYR 83.A OH ALA 169.A O no hydrogen 2.535 N/A ALA 84.A N ILE 80.A O no hydrogen 2.794 N/A LYS 85.A N THR 81.A O no hydrogen 3.125 N/A SER 86.A N TYR 83.A O no hydrogen 2.998 N/A SER 86.A OG TYR 83.A O no hydrogen 2.538 N/A ILE 87.A N ALA 84.A O no hydrogen 2.923 N/A PHE 90.A N ILE 87.A O no hydrogen 2.952 N/A ASN 92.A N GLY 89.A O no hydrogen 3.268 N/A LEU 93.A N PHE 90.A O no hydrogen 3.070 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 2.677 N/A ASN 96.A ND2 ASP 94.A OD1 no hydrogen 3.504 N/A GLN 98.A N ASP 94.A O no hydrogen 3.051 N/A GLN 98.A NE2 VAL 91.A O no hydrogen 3.240 N/A GLN 98.A NE2 LEU 93.A O no hydrogen 2.991 N/A VAL 99.A N LEU 95.A O no hydrogen 3.145 N/A THR 100.A N ASN 96.A O no hydrogen 3.152 N/A THR 100.A OG1 ASN 96.A O no hydrogen 3.080 N/A LEU 101.A N ASP 97.A O no hydrogen 2.862 N/A LEU 102.A N GLN 98.A O no hydrogen 3.051 N/A LYS 103.A N VAL 99.A O no hydrogen 2.737 N/A LYS 103.A NZ GLU 255.A O no hydrogen 3.317 N/A LYS 103.A NZ ILE 256.A O no hydrogen 2.512 N/A LYS 103.A NZ LYS 258.A O no hydrogen 2.663 N/A TYR 104.A N THR 100.A O no hydrogen 3.136 N/A GLY 105.A N LEU 101.A O no hydrogen 3.010 N/A GLY 105.A N LEU 102.A O no hydrogen 3.097 N/A VAL 106.A N LEU 102.A O no hydrogen 2.956 N/A ILE 109.A N GLY 105.A O no hydrogen 3.048 N/A ILE 110.A N VAL 106.A O no hydrogen 2.731 N/A TYR 111.A N HIS 107.A O no hydrogen 2.959 N/A THR 112.A N GLU 108.A O no hydrogen 3.136 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.985 N/A MET 113.A N ILE 109.A O no hydrogen 2.912 N/A LEU 114.A N ILE 110.A O no hydrogen 2.873 N/A ALA 115.A N TYR 111.A O no hydrogen 3.397 N/A ALA 115.A N THR 112.A O no hydrogen 3.280 N/A SER 116.A N MET 113.A O no hydrogen 2.992 N/A LEU 117.A N LEU 114.A O no hydrogen 2.955 N/A MET 118.A N ALA 115.A O no hydrogen 3.146 N/A ASN 119.A N GLY 122.A O no hydrogen 3.176 N/A LYS 120.A NZ ASP 121.A OD1 no hydrogen 2.944 N/A ASP 121.A N ASN 119.A OD1 no hydrogen 2.574 N/A GLY 122.A N ASN 119.A OD1 no hydrogen 2.793 N/A VAL 123.A N MET 132.A O no hydrogen 2.936 N/A LEU 124.A N LEU 117.A O no hydrogen 2.879 N/A ILE 125.A N GLY 130.A O no hydrogen 2.834 N/A SER 126.A OG ILE 56.A O no hydrogen 2.685 N/A GLN 129.A N SER 126.A O no hydrogen 2.938 N/A GLY 130.A N ILE 125.A O no hydrogen 3.046 N/A PHE 131.A N PHE 41.A O no hydrogen 2.887 N/A MET 132.A N VAL 123.A O no hydrogen 3.063 N/A THR 133.A N ILE 43.A O no hydrogen 3.104 N/A ARG 134.A N ASP 121.A O no hydrogen 2.863 N/A ARG 134.A NE GLU 149.A OE1 no hydrogen 3.281 N/A ARG 134.A NE GLU 149.A OE2 no hydrogen 2.967 N/A ARG 134.A NH2 GLU 149.A OE2 no hydrogen 2.578 N/A PHE 136.A N THR 133.A OG1 no hydrogen 3.381 N/A LEU 137.A N THR 133.A O no hydrogen 3.148 N/A LYS 138.A N ARG 134.A O no hydrogen 2.876 N/A SER 139.A N GLU 135.A O no hydrogen 3.069 N/A SER 139.A OG GLU 135.A O no hydrogen 3.324 N/A SER 139.A OG PHE 136.A O no hydrogen 2.762 N/A ARG 141.A NE GLU 60.A OE1 no hydrogen 2.661 N/A ARG 141.A NE GLU 60.A OE2 no hydrogen 3.311 N/A ARG 141.A NH1 GLU 244.A OE2 no hydrogen 3.384 N/A ARG 141.A NH2 GLU 60.A OE2 no hydrogen 3.340 N/A ARG 141.A NH2 GLU 244.A OE1 no hydrogen 2.501 N/A ARG 141.A NH2 GLU 244.A OE2 no hydrogen 3.196 N/A PHE 144.A N ARG 141.A O no hydrogen 3.152 N/A PHE 147.A N PHE 144.A O no hydrogen 2.897 N/A MET 148.A N PHE 144.A O no hydrogen 3.168 N/A MET 148.A N GLY 145.A O no hydrogen 3.306 N/A GLU 149.A N GLY 145.A O no hydrogen 3.240 N/A LYS 151.A N MET 148.A O no hydrogen 2.955 N/A LYS 151.A NZ TYR 111.A OH no hydrogen 2.631 N/A LYS 151.A NZ PHE 147.A O no hydrogen 3.144 N/A LYS 151.A NZ HIS 233.A ND1 no hydrogen 2.859 N/A GLU 153.A N GLU 149.A O no hydrogen 3.034 N/A PHE 154.A N PRO 150.A O no hydrogen 3.190 N/A ALA 155.A N LYS 151.A O no hydrogen 3.026 N/A VAL 156.A N PHE 152.A O no hydrogen 2.933 N/A LYS 157.A N GLU 153.A O no hydrogen 3.487 N/A PHE 158.A N PHE 154.A O no hydrogen 2.733 N/A ASN 159.A N ALA 155.A O no hydrogen 2.711 N/A ASN 159.A ND2 ALA 115.A O no hydrogen 3.150 N/A ALA 160.A N LYS 157.A O no hydrogen 3.143 N/A LEU 161.A N PHE 158.A O no hydrogen 2.977 N/A GLU 162.A N ASN 159.A O no hydrogen 2.973 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.900 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 2.766 N/A LEU 168.A N ASP 164.A O no hydrogen 2.940 N/A ALA 169.A N ASP 165.A O no hydrogen 2.956 N/A PHE 171.A N ASP 167.A O no hydrogen 3.035 N/A ILE 172.A N LEU 168.A O no hydrogen 2.838 N/A ALA 173.A N ALA 169.A O no hydrogen 3.216 N/A VAL 174.A N ILE 170.A O no hydrogen 2.914 N/A ILE 175.A N PHE 171.A O no hydrogen 3.159 N/A ILE 176.A N ILE 172.A O no hydrogen 3.037 N/A LEU 177.A N ALA 173.A O no hydrogen 3.057 N/A SER 178.A OG ILE 175.A O no hydrogen 2.659 N/A ARG 181.A NH1 GLU 108.A OE1 no hydrogen 3.546 N/A ARG 181.A NH1 GLU 108.A OE2 no hydrogen 2.776 N/A ARG 181.A NH2 GLU 108.A OE1 no hydrogen 2.807 N/A ARG 181.A NH2 ILE 175.A O no hydrogen 3.409 N/A LEU 185.A N ASP 97.A OD1 no hydrogen 2.772 N/A ASN 186.A N ASP 97.A OD2 no hydrogen 2.886 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 2.954 N/A GLU 191.A N VAL 187.A O no hydrogen 2.880 N/A ASP 192.A N LYS 188.A O no hydrogen 2.874 N/A ILE 193.A N PRO 189.A O no hydrogen 3.129 N/A GLN 194.A N ILE 190.A O no hydrogen 2.851 N/A GLN 194.A NE2 VAL 174.A O no hydrogen 3.002 N/A ASP 195.A N GLU 191.A O no hydrogen 2.821 N/A ASN 196.A N ASP 192.A O no hydrogen 3.356 N/A ASN 196.A ND2 GLN 199.A OE1 no hydrogen 3.325 N/A LEU 197.A N ILE 193.A O no hydrogen 3.028 N/A LEU 198.A N GLN 194.A O no hydrogen 2.752 N/A GLN 199.A N ASP 195.A O no hydrogen 3.131 N/A ALA 200.A N ASN 196.A O no hydrogen 3.030 N/A LEU 201.A N LEU 197.A O no hydrogen 2.822 N/A GLU 202.A N LEU 198.A O no hydrogen 2.871 N/A LEU 203.A N GLN 199.A O no hydrogen 2.960 N/A GLN 204.A N ALA 200.A O no hydrogen 2.900 N/A GLN 204.A NE2 ASP 167.A OD1 no hydrogen 2.964 N/A LEU 205.A N LEU 201.A O no hydrogen 2.861 N/A LYS 206.A N GLU 202.A O no hydrogen 3.041 N/A LEU 207.A N LEU 203.A O no hydrogen 2.949 N/A ASN 208.A N GLN 204.A O no hydrogen 2.847 N/A ASN 208.A ND2 ASP 164.A OD2 no hydrogen 2.681 N/A ASN 208.A ND2 ASP 167.A OD1 no hydrogen 2.964 N/A ASN 208.A ND2 ASP 167.A OD2 no hydrogen 3.331 N/A ASN 208.A ND2 HIS 209.A NE2 no hydrogen 3.486 N/A HIS 209.A N LEU 205.A O no hydrogen 2.802 N/A HIS 209.A NE2 ASP 167.A OD2 no hydrogen 2.642 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.612 N/A SER 212.A N HIS 209.A O no hydrogen 3.088 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.627 N/A LEU 215.A N SER 212.A O no hydrogen 3.244 N/A LYS 218.A N GLN 214.A O no hydrogen 2.927 N/A LEU 219.A N LEU 215.A O no hydrogen 2.898 N/A LEU 220.A N PHE 216.A O no hydrogen 3.125 N/A GLN 221.A N ALA 217.A O no hydrogen 3.318 N/A LYS 222.A N LYS 218.A O no hydrogen 3.008 N/A MET 223.A N LEU 219.A O no hydrogen 3.039 N/A THR 224.A OG1 GLN 221.A O no hydrogen 2.466 N/A ASP 225.A N GLN 221.A O no hydrogen 2.906 N/A LEU 226.A N LYS 222.A O no hydrogen 2.782 N/A ARG 227.A N THR 224.A O no hydrogen 3.259 N/A ARG 227.A NH1 ASP 180.A OD2 no hydrogen 2.466 N/A ARG 227.A NH2 ASP 180.A OD1 no hydrogen 2.610 N/A ARG 227.A NH2 ASP 180.A OD2 no hydrogen 2.800 N/A GLN 228.A N THR 224.A O no hydrogen 3.417 N/A ILE 229.A N ASP 225.A O no hydrogen 2.915 N/A VAL 230.A N LEU 226.A O no hydrogen 2.879 N/A THR 231.A N ARG 227.A O no hydrogen 2.891 N/A THR 231.A OG1 ARG 227.A O no hydrogen 3.364 N/A THR 231.A OG1 GLN 228.A O no hydrogen 2.520 N/A THR 231.A OG1 GLN 228.A OE1 no hydrogen 2.688 N/A GLU 232.A N GLN 228.A O no hydrogen 3.108 N/A HIS 233.A N ILE 229.A O no hydrogen 2.958 N/A HIS 233.A NE2 TYR 257.A OH no hydrogen 2.781 N/A VAL 234.A N VAL 230.A O no hydrogen 2.759 N/A GLN 235.A N THR 231.A O no hydrogen 2.941 N/A LEU 236.A N GLU 232.A O no hydrogen 2.858 N/A LEU 237.A N HIS 233.A O no hydrogen 2.841 N/A GLN 238.A N VAL 234.A O no hydrogen 2.921 N/A VAL 239.A N GLN 235.A O no hydrogen 3.250 N/A LYS 241.A N LEU 237.A O no hydrogen 3.006 N/A LYS 242.A N VAL 239.A O no hydrogen 3.325 N/A THR 243.A N ILE 240.A O no hydrogen 3.341 N/A THR 243.A OG1 VAL 239.A O no hydrogen 2.574 N/A GLU 244.A N ILE 240.A O no hydrogen 2.949 N/A THR 245.A OG1 ASP 246.A OD1 no hydrogen 2.895 N/A SER 248.A OG GLN 67.A OE1 no hydrogen 3.387 N/A LEU 252.A N HIS 250.A ND1 no hydrogen 2.915 N/A GLN 254.A N HIS 250.A O no hydrogen 3.000 N/A GLN 254.A NE2 LEU 249.A O no hydrogen 2.961 N/A GLU 255.A N PRO 251.A O no hydrogen 3.098 N/A ILE 256.A N LEU 252.A O no hydrogen 3.027 N/A TYR 257.A N LEU 253.A O no hydrogen 2.824 N/A TYR 257.A OH HIS 233.A NE2 no hydrogen 2.781 N/A LYS 258.A N GLN 254.A O no hydrogen 2.710 N/A LEU 260.A N TYR 257.A O no hydrogen 3.111 N/A