Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c2f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N VAL 2.A O no hydrogen 2.918 N/A LEU 6.A N TYR 3.A O no hydrogen 2.762 N/A LEU 7.A N GLU 4.A O no hydrogen 3.111 N/A TRP 13.A NE1 PRO 8.A O no hydrogen 2.834 N/A ARG 14.A N GLY 11.A O no hydrogen 3.245 N/A ARG 14.A NE GLU 60.A OE2 no hydrogen 3.007 N/A ARG 14.A NH1 VAL 9.A O no hydrogen 2.812 N/A GLN 15.A NE2 ASN 19.A OD1 no hydrogen 3.240 N/A ASP 16.A N ALA 12.A O no hydrogen 3.004 N/A VAL 17.A N TRP 13.A O no hydrogen 3.284 N/A THR 18.A N ARG 14.A O no hydrogen 3.309 N/A THR 18.A OG1 ARG 14.A O no hydrogen 3.399 N/A THR 18.A OG1 GLN 64.A OE1 no hydrogen 2.578 N/A ASN 19.A N GLN 15.A O no hydrogen 2.926 N/A TRP 20.A N ASP 16.A O no hydrogen 2.847 N/A LEU 21.A N VAL 17.A O no hydrogen 2.953 N/A SER 22.A N THR 18.A O no hydrogen 2.995 N/A SER 22.A OG THR 18.A O no hydrogen 3.220 N/A GLU 23.A N ASN 19.A O no hydrogen 3.028 N/A ASP 24.A N LEU 21.A O no hydrogen 2.817 N/A VAL 25.A N LEU 21.A O no hydrogen 3.183 N/A VAL 25.A N SER 22.A O no hydrogen 3.124 N/A GLY 32.A N ASP 29.A OD1 no hydrogen 3.129 N/A TYR 33.A N ASP 29.A O no hydrogen 3.282 N/A VAL 34.A N PHE 30.A O no hydrogen 3.139 N/A VAL 35.A N GLY 31.A O no hydrogen 2.895 N/A GLY 36.A N GLY 32.A O no hydrogen 2.933 N/A LYS 40.A N GLY 96.A O no hydrogen 2.929 N/A ALA 42.A N ILE 94.A O no hydrogen 2.961 N/A ASN 43.A N LYS 264.A O no hydrogen 3.217 N/A ASN 43.A ND2 TYR 45.A OH no hydrogen 3.134 N/A LEU 44.A N ALA 92.A O no hydrogen 2.889 N/A TYR 45.A N SER 262.A O no hydrogen 2.556 N/A CYS 46.A N ILE 89.A O no hydrogen 2.910 N/A CYS 46.A SG GLN 48.A O no hydrogen 3.077 N/A LYS 47.A N ASP 260.A O no hydrogen 2.769 N/A GLY 50.A N LEU 79.A O no hydrogen 2.955 N/A MET 51.A N THR 120.A OG1 no hydrogen 2.692 N/A LEU 52.A N SER 77.A O no hydrogen 2.949 N/A CYS 53.A N SER 116.A OG no hydrogen 3.100 N/A CYS 53.A SG SER 115.A OG no hydrogen 3.265 N/A CYS 53.A SG SER 155.A OG no hydrogen 3.628 N/A GLY 54.A N GLU 75.A OE2 no hydrogen 2.797 N/A VAL 55.A N GLU 75.A OE2 no hydrogen 3.009 N/A ALA 58.A N GLY 54.A O no hydrogen 2.930 N/A GLN 59.A N VAL 55.A O no hydrogen 2.690 N/A GLN 59.A NE2 ASN 63.A OD1 no hydrogen 2.639 N/A GLU 60.A N PRO 56.A O no hydrogen 2.986 N/A VAL 61.A N PHE 57.A O no hydrogen 3.090 N/A PHE 62.A N ALA 58.A O no hydrogen 2.943 N/A ASN 63.A N GLN 59.A O no hydrogen 2.789 N/A ASN 63.A ND2 GLU 60.A OE1 no hydrogen 3.503 N/A GLN 64.A N GLU 60.A O no hydrogen 3.130 N/A GLN 64.A NE2 ARG 14.A O no hydrogen 2.990 N/A GLN 64.A NE2 GLU 60.A OE2 no hydrogen 2.998 N/A CYS 65.A N VAL 61.A O no hydrogen 3.263 N/A CYS 65.A N PHE 62.A O no hydrogen 3.203 N/A CYS 65.A SG VAL 61.A O no hydrogen 3.362 N/A GLU 66.A N ASN 63.A O no hydrogen 2.901 N/A LEU 67.A N PHE 62.A O no hydrogen 3.154 N/A GLN 68.A N THR 95.A O no hydrogen 2.864 N/A GLU 70.A N LYS 93.A O no hydrogen 2.839 N/A TRP 71.A NE1 GLN 59.A OE1 no hydrogen 2.642 N/A LEU 72.A N VAL 91.A O no hydrogen 2.898 N/A GLY 76.A N LEU 52.A O no hydrogen 2.860 N/A SER 77.A N LYS 74.A O no hydrogen 3.048 N/A SER 77.A OG LYS 74.A O no hydrogen 2.777 N/A LEU 79.A N GLY 50.A O no hydrogen 2.927 N/A SER 82.A N GLU 80.A O no hydrogen 2.325 N/A SER 82.A OG GLU 80.A O no hydrogen 3.210 N/A LYS 83.A NZ SER 86.A OG no hydrogen 3.051 N/A LYS 83.A NZ LYS 88.A O no hydrogen 3.291 N/A SER 86.A OG LYS 88.A O no hydrogen 3.201 N/A GLY 87.A N LYS 83.A O no hydrogen 2.928 N/A LYS 88.A N SER 86.A OG no hydrogen 3.307 N/A ILE 89.A N CYS 46.A O no hydrogen 3.010 N/A VAL 91.A N LEU 44.A O no hydrogen 2.862 N/A LYS 93.A N GLU 70.A O no hydrogen 2.824 N/A LYS 93.A NZ GLU 70.A OE1 no hydrogen 3.293 N/A ILE 94.A N ALA 42.A O no hydrogen 2.812 N/A THR 95.A N GLN 68.A O no hydrogen 2.862 N/A THR 95.A OG1 GLN 68.A O no hydrogen 3.452 N/A GLY 96.A N LYS 40.A O no hydrogen 3.194 N/A ALA 98.A N ASP 38.A O no hydrogen 2.816 N/A LYS 99.A N GLY 36.A O no hydrogen 3.020 N/A LYS 99.A NZ ASN 100.A OD1 no hydrogen 2.849 N/A ASN 100.A ND2 CYS 65.A O no hydrogen 2.797 N/A ILE 101.A N PRO 97.A O no hydrogen 3.171 N/A LEU 102.A N ALA 98.A O no hydrogen 3.135 N/A LEU 103.A N LYS 99.A O no hydrogen 2.940 N/A ALA 104.A N ASN 100.A O no hydrogen 3.053 N/A ARG 106.A NH1 ASN 110.A OD1 no hydrogen 3.353 N/A ALA 108.A N ALA 104.A O no hydrogen 3.112 N/A LEU 109.A N GLU 105.A O no hydrogen 3.066 N/A ASN 110.A N ARG 106.A O no hydrogen 2.974 N/A ILE 111.A N THR 107.A O no hydrogen 3.134 N/A ILE 111.A N ALA 108.A O no hydrogen 3.159 N/A LEU 112.A N ALA 108.A O no hydrogen 2.961 N/A SER 113.A N LEU 109.A O no hydrogen 2.931 N/A SER 113.A OG LEU 109.A O no hydrogen 3.210 N/A SER 113.A OG ASN 110.A O no hydrogen 3.314 N/A ARG 114.A NH1 ASN 110.A O no hydrogen 3.314 N/A SER 115.A N ILE 111.A O no hydrogen 2.835 N/A SER 115.A OG SER 155.A OG no hydrogen 2.616 N/A SER 116.A N LEU 112.A O no hydrogen 2.692 N/A SER 116.A OG MET 51.A O no hydrogen 3.332 N/A SER 116.A OG CYS 53.A O no hydrogen 3.344 N/A SER 116.A OG LEU 112.A O no hydrogen 2.932 N/A GLY 117.A N SER 113.A O no hydrogen 2.999 N/A ILE 118.A N ARG 114.A O no hydrogen 3.025 N/A ALA 119.A N SER 115.A O no hydrogen 3.085 N/A THR 120.A N SER 116.A O no hydrogen 2.956 N/A THR 120.A OG1 SER 116.A O no hydrogen 2.845 N/A ALA 121.A N GLY 117.A O no hydrogen 3.125 N/A SER 122.A N ILE 118.A O no hydrogen 2.868 N/A SER 122.A OG ILE 118.A O no hydrogen 2.714 N/A HIS 123.A N ALA 119.A O no hydrogen 2.759 N/A LYS 124.A N THR 120.A O no hydrogen 2.953 N/A ILE 126.A N SER 122.A O no hydrogen 3.198 N/A SER 127.A N HIS 123.A O no hydrogen 2.878 N/A SER 127.A OG HIS 123.A O no hydrogen 3.012 N/A SER 127.A OG LYS 124.A O no hydrogen 2.754 N/A LEU 128.A N LYS 124.A O no hydrogen 3.060 N/A ALA 129.A N ILE 125.A O no hydrogen 2.807 N/A ARG 130.A N ILE 126.A O no hydrogen 2.940 N/A ARG 130.A NH2 TYR 134.A O no hydrogen 3.110 N/A ARG 130.A NH2 GLY 136.A O no hydrogen 2.534 N/A SER 131.A N SER 127.A O no hydrogen 2.976 N/A SER 131.A OG SER 127.A O no hydrogen 3.325 N/A SER 131.A OG LEU 128.A O no hydrogen 2.730 N/A THR 132.A N ALA 129.A O no hydrogen 3.290 N/A THR 132.A OG1 ALA 129.A O no hydrogen 2.708 N/A GLY 133.A N ARG 130.A O no hydrogen 3.127 N/A TYR 134.A N THR 132.A OG1 no hydrogen 3.354 N/A TYR 134.A OH ILE 244.A O no hydrogen 2.402 N/A THR 137.A N ASP 245.A O no hydrogen 3.055 N/A ALA 139.A N TYR 247.A O no hydrogen 2.814 N/A GLY 140.A N ASP 162.A O no hydrogen 3.238 N/A THR 141.A OG1 HIS 253.A NE2 no hydrogen 3.007 N/A LYS 143.A N THR 141.A OG1 no hydrogen 3.104 N/A THR 145.A N GLU 152.A OE1 no hydrogen 2.902 N/A THR 145.A OG1 GLU 152.A OE1 no hydrogen 3.343 N/A THR 145.A OG1 GLU 152.A OE2 no hydrogen 2.580 N/A LEU 148.A N THR 145.A O no hydrogen 2.838 N/A ARG 149.A NE THR 144.A OG1 no hydrogen 2.885 N/A ARG 149.A NH2 THR 144.A OG1 no hydrogen 3.051 N/A GLU 152.A N LEU 148.A O no hydrogen 3.181 N/A LYS 153.A N ARG 149.A O no hydrogen 3.107 N/A LYS 153.A NZ THR 141.A O no hydrogen 2.693 N/A LYS 153.A NZ THR 163.A O no hydrogen 2.728 N/A LYS 153.A NZ ARG 165.A O no hydrogen 3.507 N/A TYR 154.A N ARG 150.A O no hydrogen 3.028 N/A TYR 154.A OH GLU 75.A OE1 no hydrogen 2.628 N/A SER 155.A N LEU 151.A O no hydrogen 2.982 N/A SER 155.A OG SER 115.A O no hydrogen 3.518 N/A SER 155.A OG SER 115.A OG no hydrogen 2.616 N/A SER 155.A OG LEU 151.A O no hydrogen 2.820 N/A MET 156.A N GLU 152.A O no hydrogen 3.041 N/A MET 156.A N LYS 153.A O no hydrogen 2.867 N/A LEU 157.A N LYS 153.A O no hydrogen 3.105 N/A VAL 158.A N TYR 154.A O no hydrogen 3.220 N/A GLY 159.A N SER 155.A O no hydrogen 3.259 N/A GLY 159.A N MET 156.A O no hydrogen 3.111 N/A GLY 160.A N LEU 157.A O no hydrogen 2.994 N/A CYS 161.A N MET 156.A O no hydrogen 3.168 N/A CYS 161.A SG SER 122.A O no hydrogen 3.390 N/A ASP 162.A N ILE 138.A O no hydrogen 2.986 N/A THR 163.A OG1 HIS 164.A O no hydrogen 3.019 N/A HIS 164.A N ASP 162.A OD1 no hydrogen 2.875 N/A ARG 165.A NE MET 171.A O no hydrogen 3.193 N/A ARG 165.A NH2 MET 171.A O no hydrogen 3.365 N/A ASP 167.A N SER 170.A OG no hydrogen 3.335 N/A SER 169.A N ASP 167.A OD1 no hydrogen 3.187 N/A SER 170.A OG ASP 167.A OD1 no hydrogen 2.753 N/A VAL 172.A N LYS 201.A O no hydrogen 2.674 N/A LEU 174.A N GLU 203.A O no hydrogen 2.686 N/A LYS 175.A N HIS 178.A ND1 no hydrogen 2.876 N/A ASN 177.A N ASP 176.A OD1 no hydrogen 2.556 N/A ILE 179.A N LYS 175.A O no hydrogen 2.878 N/A TRP 180.A N ASP 176.A O no hydrogen 2.567 N/A ALA 181.A N ASN 177.A O no hydrogen 3.029 N/A THR 182.A N HIS 178.A O no hydrogen 3.029 N/A THR 182.A OG1 HIS 178.A O no hydrogen 3.284 N/A THR 182.A OG1 ILE 179.A O no hydrogen 3.538 N/A THR 182.A OG1 SER 184.A O no hydrogen 3.014 N/A THR 186.A N GLU 214.A OE2 no hydrogen 3.022 N/A THR 186.A OG1 GLU 214.A OE2 no hydrogen 2.333 N/A ASN 187.A N SER 184.A OG no hydrogen 3.064 N/A ALA 188.A N SER 184.A O no hydrogen 2.834 N/A VAL 189.A N ILE 185.A O no hydrogen 2.832 N/A LYS 190.A N THR 186.A O no hydrogen 3.025 N/A ASN 191.A N ASN 187.A O no hydrogen 3.070 N/A ASN 191.A ND2 ASN 187.A O no hydrogen 2.949 N/A ALA 192.A N ALA 188.A O no hydrogen 2.918 N/A ARG 193.A N VAL 189.A O no hydrogen 2.750 N/A ARG 193.A NH1 GLY 197.A O no hydrogen 2.812 N/A ARG 193.A NH2 GLY 219.A O no hydrogen 3.391 N/A ARG 193.A NH2 ASP 221.A OD2 no hydrogen 3.127 N/A ALA 194.A N LYS 190.A O no hydrogen 2.890 N/A VAL 195.A N ALA 192.A O no hydrogen 3.285 N/A CYS 196.A N ALA 192.A O no hydrogen 3.017 N/A CYS 196.A SG ALA 192.A O no hydrogen 3.191 N/A CYS 196.A SG GLY 197.A O no hydrogen 3.631 N/A CYS 196.A SG VAL 200.A O no hydrogen 3.617 N/A GLY 197.A N ARG 193.A O no hydrogen 2.836 N/A ILE 202.A N ASP 221.A OD2 no hydrogen 2.875 N/A GLU 203.A N VAL 172.A O no hydrogen 2.621 N/A VAL 204.A N VAL 222.A O no hydrogen 3.071 N/A GLU 205.A N LEU 174.A O no hydrogen 3.028 N/A CYS 206.A N MET 224.A O no hydrogen 2.666 N/A CYS 206.A SG VAL 204.A O no hydrogen 3.725 N/A SER 208.A OG GLU 211.A OE1 no hydrogen 3.558 N/A GLU 211.A N SER 208.A OG no hydrogen 2.916 N/A ALA 212.A N SER 208.A O no hydrogen 2.939 N/A THR 213.A N GLU 209.A O no hydrogen 3.144 N/A THR 213.A OG1 GLU 209.A O no hydrogen 3.114 N/A THR 213.A OG1 ASP 210.A O no hydrogen 2.718 N/A GLU 214.A N ASP 210.A O no hydrogen 3.208 N/A ALA 215.A N GLU 211.A O no hydrogen 3.083 N/A ILE 216.A N ALA 212.A O no hydrogen 2.645 N/A GLU 217.A N THR 213.A O no hydrogen 2.903 N/A GLU 217.A N GLU 214.A O no hydrogen 3.084 N/A ALA 218.A N GLU 214.A O no hydrogen 2.711 N/A GLY 219.A N ALA 215.A O no hydrogen 3.048 N/A GLY 219.A N ILE 216.A O no hydrogen 3.174 N/A ALA 220.A N ALA 215.A O no hydrogen 2.932 N/A ASP 221.A N ILE 202.A O no hydrogen 2.698 N/A VAL 222.A N ILE 202.A O no hydrogen 3.155 N/A ILE 223.A N LEU 230.A O no hydrogen 2.878 N/A MET 224.A N VAL 204.A O no hydrogen 2.876 N/A LEU 225.A N GLU 232.A O no hydrogen 3.095 N/A ASP 226.A N CYS 206.A O no hydrogen 3.194 N/A LEU 230.A N ASP 221.A O no hydrogen 3.314 N/A LEU 231.A N ASP 245.A OD1 no hydrogen 3.158 N/A GLU 232.A N ILE 223.A O no hydrogen 2.742 N/A CYS 233.A N ILE 246.A O no hydrogen 2.701 N/A SER 234.A OG GLU 232.A OE2 no hydrogen 3.493 N/A ASP 242.A N TYR 247.A OH no hydrogen 2.867 N/A ILE 244.A N ASP 242.A O no hydrogen 2.300 N/A ILE 246.A N LEU 231.A O no hydrogen 2.741 N/A TYR 247.A N THR 137.A O no hydrogen 3.101 N/A TYR 247.A OH LEU 240.A O no hydrogen 3.159 N/A SER 248.A N CYS 233.A O no hydrogen 3.083 N/A SER 248.A OG HIS 164.A ND1 no hydrogen 3.302 N/A SER 248.A OG GLU 232.A OE2 no hydrogen 2.636 N/A THR 249.A N ALA 139.A O no hydrogen 2.989 N/A THR 249.A OG1 SER 251.A OG no hydrogen 2.611 N/A SER 251.A N THR 249.A OG1 no hydrogen 3.048 N/A SER 251.A OG LEU 237.A O no hydrogen 2.719 N/A SER 251.A OG THR 249.A OG1 no hydrogen 2.611 N/A HIS 253.A N SER 250.A O no hydrogen 3.161 N/A GLN 254.A N SER 250.A O no hydrogen 2.809 N/A THR 256.A OG1 HIS 253.A O no hydrogen 3.253 N/A THR 256.A OG1 PRO 257.A O no hydrogen 3.452 N/A ILE 259.A N SER 113.A O no hydrogen 3.084 N/A ASP 260.A N GLN 48.A OE1 no hydrogen 2.838 N/A SER 262.A N TYR 45.A O no hydrogen 2.869 N/A LYS 264.A N ASN 43.A O no hydrogen 3.195 N/A ALA 266.A N GLU 41.A O no hydrogen 2.946 N/A