Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLU 18.A OE1 no hydrogen 3.129 N/A TYR 4.A N GLU 18.A OE2 no hydrogen 2.556 N/A THR 5.A OG1 GLU 18.A OE2 no hydrogen 3.239 N/A LEU 6.A N CYS 96.A O no hydrogen 2.681 N/A LEU 11.A N GLN 13.A OE1 no hydrogen 3.222 N/A ARG 14.A N LEU 11.A O no hydrogen 3.205 N/A ARG 14.A NE THR 5.A OG1 no hydrogen 3.224 N/A ARG 14.A NH2 THR 5.A OG1 no hydrogen 3.350 N/A PHE 16.A N GLU 12.A O no hydrogen 3.218 N/A TYR 17.A N GLN 13.A O no hydrogen 3.132 N/A GLU 18.A N ARG 14.A O no hydrogen 2.795 N/A GLU 19.A N LYS 15.A O no hydrogen 3.077 N/A ASN 20.A N PHE 16.A O no hydrogen 2.826 N/A ASN 20.A N TYR 17.A O no hydrogen 3.304 N/A ASN 20.A ND2 PHE 16.A O no hydrogen 2.718 N/A GLY 21.A N TYR 17.A O no hydrogen 2.581 N/A LEU 23.A N PHE 188.A O no hydrogen 2.766 N/A ILE 25.A N THR 186.A O no hydrogen 2.913 N/A ASN 27.A N ASP 185.A OD1 no hydrogen 2.623 N/A LEU 28.A N GLY 184.A O no hydrogen 3.121 N/A VAL 29.A N GLY 184.A O no hydrogen 3.045 N/A ILE 34.A N PRO 30.A O no hydrogen 3.142 N/A GLN 35.A N ASP 31.A O no hydrogen 3.096 N/A GLN 35.A NE2 GLN 35.A O no hydrogen 3.086 N/A GLN 35.A NE2 ASN 39.A OD1 no hydrogen 2.503 N/A ARG 36.A N ALA 32.A O no hydrogen 3.248 N/A ARG 36.A NE GLU 80.A OE1 no hydrogen 2.963 N/A ARG 36.A NH2 GLU 80.A OE1 no hydrogen 3.143 N/A ARG 36.A NH2 GLU 80.A OE2 no hydrogen 3.492 N/A PHE 37.A N ASP 33.A O no hydrogen 3.067 N/A ARG 38.A N ILE 34.A O no hydrogen 2.938 N/A ASN 39.A N GLN 35.A O no hydrogen 2.858 N/A GLU 40.A N ARG 36.A O no hydrogen 3.121 N/A PHE 41.A N PHE 37.A O no hydrogen 3.014 N/A GLU 42.A N ARG 38.A O no hydrogen 3.048 N/A LYS 43.A N ASN 39.A O no hydrogen 3.155 N/A ILE 44.A N GLU 40.A O no hydrogen 3.002 N/A CYS 45.A N PHE 41.A O no hydrogen 2.732 N/A CYS 45.A SG PHE 41.A O no hydrogen 3.436 N/A ARG 46.A N GLU 42.A O no hydrogen 2.772 N/A ARG 46.A NE GLU 42.A OE1 no hydrogen 3.414 N/A ARG 46.A NH1 GLU 42.A OE1 no hydrogen 3.536 N/A LYS 47.A N ILE 44.A O no hydrogen 2.784 N/A GLU 48.A N LYS 43.A O no hydrogen 3.037 N/A THR 55.A N GLN 73.A O no hydrogen 2.857 N/A THR 55.A OG1 GLN 73.A O no hydrogen 3.434 N/A THR 55.A OG1 ASP 74.A OD2 no hydrogen 3.236 N/A MET 57.A N LYS 71.A O no hydrogen 2.895 N/A ASP 59.A N THR 70.A OG1 no hydrogen 3.144 N/A ILE 62.A N GLU 66.A O no hydrogen 3.291 N/A GLU 66.A N ILE 62.A O no hydrogen 3.166 N/A MET 68.A N VAL 60.A O no hydrogen 2.937 N/A THR 70.A N MET 57.A O no hydrogen 2.900 N/A THR 70.A OG1 MET 57.A O no hydrogen 3.285 N/A VAL 72.A N LEU 109.A O no hydrogen 2.989 N/A GLN 73.A N THR 55.A O no hydrogen 2.970 N/A ASP 74.A N THR 107.A O no hydrogen 3.043 N/A PHE 75.A N THR 107.A OG1 no hydrogen 3.093 N/A ASP 78.A N PHE 75.A O no hydrogen 2.898 N/A LEU 81.A N ASP 78.A OD2 no hydrogen 3.366 N/A PHE 82.A N ASP 78.A O no hydrogen 2.894 N/A TYR 84.A N LEU 81.A O no hydrogen 3.117 N/A TYR 84.A OH ALA 135.A O no hydrogen 2.694 N/A TYR 84.A OH THR 137.A OG1 no hydrogen 3.034 N/A CYS 85.A N PHE 82.A O no hydrogen 3.042 N/A THR 86.A N ARG 83.A O no hydrogen 3.159 N/A THR 86.A OG1 ARG 83.A O no hydrogen 3.104 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 3.074 N/A LEU 91.A N LEU 87.A O no hydrogen 3.127 N/A LYS 92.A N PRO 88.A O no hydrogen 3.119 N/A VAL 94.A N ILE 90.A O no hydrogen 3.002 N/A GLU 95.A N LEU 91.A O no hydrogen 2.959 N/A CYS 96.A N TYR 93.A O no hydrogen 2.941 N/A CYS 96.A SG ASN 8.A O no hydrogen 3.457 N/A CYS 96.A SG LYS 92.A O no hydrogen 3.728 N/A PHE 97.A N VAL 94.A O no hydrogen 2.946 N/A THR 98.A N VAL 94.A O no hydrogen 2.983 N/A THR 98.A OG1 VAL 94.A O no hydrogen 3.064 N/A THR 98.A OG1 GLY 99.A O no hydrogen 3.196 N/A GLY 99.A N GLU 95.A O no hydrogen 2.817 N/A ASN 101.A ND2 ASP 217.A OD1 no hydrogen 3.364 N/A ILE 102.A N LYS 247.A O no hydrogen 2.684 N/A MET 103.A N ALA 214.A O no hydrogen 2.941 N/A ALA 104.A N ARG 244.A O no hydrogen 2.977 N/A MET 105.A N HIS 212.A O no hydrogen 2.854 N/A HIS 106.A N HIS 212.A O no hydrogen 3.264 N/A THR 107.A OG1 GLN 76.A OE1 no hydrogen 3.405 N/A MET 108.A N SER 210.A O no hydrogen 2.765 N/A LEU 109.A N VAL 72.A O no hydrogen 2.859 N/A ILE 110.A N ALA 208.A O no hydrogen 2.684 N/A ASN 111.A N THR 70.A O no hydrogen 2.688 N/A ASN 111.A ND2 ILE 69.A O no hydrogen 2.676 N/A LYS 112.A N ARG 206.A O no hydrogen 2.842 N/A LYS 112.A NZ ASP 115.A OD2 no hydrogen 3.112 N/A LYS 112.A NZ GLY 198.A O no hydrogen 3.177 N/A ASP 115.A N ASN 200.A O no hydrogen 2.805 N/A HIS 118.A N HIS 195.A O no hydrogen 2.878 N/A HIS 118.A NE2 ASP 120.A OD1 no hydrogen 3.117 N/A GLN 119.A N HIS 163.A NE2 no hydrogen 3.097 N/A GLN 119.A NE2 SER 159.A O no hydrogen 3.349 N/A GLN 119.A NE2 LEU 192.A O no hydrogen 2.736 N/A LEU 121.A N PRO 191.A O no hydrogen 2.895 N/A HIS 122.A N GLN 119.A O no hydrogen 3.099 N/A TYR 123.A N ASP 120.A O no hydrogen 3.063 N/A PHE 124.A N LEU 121.A O no hydrogen 2.919 N/A ARG 127.A N HIS 219.A O no hydrogen 2.786 N/A ARG 127.A NH1 PHE 124.A O no hydrogen 2.898 N/A ARG 127.A NH1 PHE 126.A O no hydrogen 3.048 N/A ARG 127.A NH2 GLN 228.A OE1 no hydrogen 2.858 N/A LEU 131.A N PRO 128.A O no hydrogen 3.229 N/A ILE 132.A N SER 129.A O no hydrogen 3.250 N/A VAL 133.A N PHE 213.A O no hydrogen 2.855 N/A CYS 134.A N PHE 189.A O no hydrogen 2.995 N/A CYS 134.A SG HIS 212.A NE2 no hydrogen 3.701 N/A ALA 135.A N CYS 211.A O no hydrogen 2.653 N/A TRP 136.A N VAL 187.A O no hydrogen 2.934 N/A THR 137.A N ILE 209.A O no hydrogen 2.817 N/A THR 137.A OG1 TYR 84.A OH no hydrogen 3.034 N/A THR 137.A OG1 THR 186.A OG1 no hydrogen 3.015 N/A ALA 138.A N ASP 185.A O no hydrogen 3.035 N/A MET 139.A N LYS 207.A O no hydrogen 3.223 N/A ILE 142.A N MET 181.A O no hydrogen 2.874 N/A SER 143.A N ASN 146.A OD1 no hydrogen 2.880 N/A ASN 145.A N SER 143.A OG no hydrogen 3.177 N/A ASN 146.A ND2 HIS 141.A O no hydrogen 3.027 N/A CYS 148.A N SER 143.A O no hydrogen 3.137 N/A CYS 148.A SG LEU 149.A O no hydrogen 3.776 N/A VAL 150.A N GLY 196.A O no hydrogen 2.633 N/A VAL 151.A N VAL 177.A O no hydrogen 2.823 N/A LEU 152.A N ILE 194.A O no hydrogen 2.919 N/A GLY 154.A N ASN 20.A O no hydrogen 2.948 N/A THR 155.A N LEU 152.A O no hydrogen 3.310 N/A THR 155.A OG1 LEU 152.A O no hydrogen 2.744 N/A LYS 157.A N GLY 154.A O no hydrogen 3.359 N/A GLY 158.A N THR 155.A O no hydrogen 3.109 N/A LYS 161.A N GLN 119.A OE1 no hydrogen 2.884 N/A ILE 168.A N LEU 117.A O no hydrogen 3.037 N/A ARG 176.A NH2 GLU 172.A OE2 no hydrogen 3.308 N/A VAL 177.A N VAL 151.A O no hydrogen 2.853 N/A LEU 179.A N LEU 149.A O no hydrogen 2.847 N/A VAL 180.A N HIS 178.A O no hydrogen 3.040 N/A MET 181.A N ILE 142.A O no hydrogen 2.734 N/A GLU 182.A N ASP 185.A OD2 no hydrogen 2.706 N/A GLY 184.A N ALA 138.A O no hydrogen 2.824 N/A ASP 185.A N GLU 182.A O no hydrogen 2.958 N/A THR 186.A N ILE 25.A O no hydrogen 3.117 N/A THR 186.A OG1 THR 137.A OG1 no hydrogen 3.015 N/A THR 186.A OG1 GLY 184.A O no hydrogen 3.552 N/A VAL 187.A N TRP 136.A O no hydrogen 2.870 N/A PHE 188.A N LEU 23.A O no hydrogen 2.781 N/A PHE 189.A N CYS 134.A O no hydrogen 3.158 N/A HIS 190.A N GLY 21.A O no hydrogen 3.083 N/A HIS 190.A NE2 ASP 130.A OD2 no hydrogen 3.147 N/A LEU 192.A N HIS 190.A ND1 no hydrogen 2.910 N/A LEU 193.A N HIS 190.A O no hydrogen 3.038 N/A ILE 194.A N THR 155.A OG1 no hydrogen 3.010 N/A HIS 195.A N HIS 118.A O no hydrogen 3.115 N/A HIS 195.A ND1 LEU 193.A O no hydrogen 2.779 N/A GLY 196.A N VAL 150.A O no hydrogen 3.090 N/A GLY 198.A N CYS 148.A O no hydrogen 3.042 N/A ASN 200.A N ASP 115.A OD2 no hydrogen 2.621 N/A ASN 200.A ND2 LYS 112.A O no hydrogen 2.908 N/A ASN 200.A ND2 PRO 113.A O no hydrogen 3.004 N/A ASN 200.A ND2 GLY 204.A O no hydrogen 2.789 N/A LYS 201.A N ASN 145.A O no hydrogen 2.894 N/A THR 202.A N ASN 200.A OD1 no hydrogen 3.215 N/A THR 202.A OG1 ASN 200.A OD1 no hydrogen 2.731 N/A GLY 204.A N THR 202.A OG1 no hydrogen 3.298 N/A ARG 206.A N LYS 112.A O no hydrogen 2.873 N/A ARG 206.A NE GLY 147.A O no hydrogen 3.190 N/A ARG 206.A NH2 GLY 147.A O no hydrogen 2.861 N/A LYS 207.A N GLU 140.A OE2 no hydrogen 2.900 N/A LYS 207.A NZ ASN 111.A OD1 no hydrogen 2.675 N/A ALA 208.A N ILE 110.A O no hydrogen 2.971 N/A ILE 209.A N THR 137.A O no hydrogen 3.087 N/A SER 210.A N MET 108.A O no hydrogen 2.708 N/A CYS 211.A N ALA 135.A O no hydrogen 2.992 N/A CYS 211.A SG HIS 106.A O no hydrogen 3.734 N/A HIS 212.A N HIS 106.A O no hydrogen 2.869 N/A HIS 212.A NE2 ASP 120.A OD2 no hydrogen 2.786 N/A PHE 213.A N VAL 133.A O no hydrogen 2.712 N/A ALA 214.A N MET 103.A O no hydrogen 2.923 N/A SER 215.A N LEU 131.A O no hydrogen 2.939 N/A SER 215.A OG THR 98.A O no hydrogen 3.337 N/A ALA 216.A N ASN 101.A O no hydrogen 3.169 N/A ASP 217.A N SER 215.A OG no hydrogen 3.321 N/A CYS 218.A N SER 215.A O no hydrogen 2.969 N/A CYS 218.A SG PRO 128.A O no hydrogen 3.998 N/A CYS 218.A SG SER 215.A O no hydrogen 3.212 N/A HIS 219.A N ARG 127.A O no hydrogen 2.851 N/A TYR 220.A OH LEU 253.A O no hydrogen 3.092 N/A ILE 221.A N PRO 125.A O no hydrogen 3.087 N/A THR 226.A N VAL 223.A O no hydrogen 3.197 N/A THR 226.A OG1 VAL 223.A O no hydrogen 2.853 N/A GLN 228.A N THR 226.A OG1 no hydrogen 3.150 N/A GLN 228.A NE2 HIS 122.A O no hydrogen 2.765 N/A GLN 228.A NE2 PHE 124.A O no hydrogen 3.094 N/A GLU 229.A N THR 226.A O no hydrogen 3.066 N/A ILE 231.A N GLN 228.A O no hydrogen 3.152 N/A GLU 232.A N GLU 229.A O no hydrogen 3.346 N/A LYS 233.A N ASN 230.A O no hydrogen 2.906 N/A ASP 237.A N ASN 234.A O no hydrogen 2.956 N/A ASP 237.A N ASN 234.A OD1 no hydrogen 3.225 N/A ILE 238.A N ASN 234.A O no hydrogen 3.390 N/A TRP 239.A N LEU 235.A O no hydrogen 3.198 N/A MET 240.A N LYS 236.A O no hydrogen 2.848 N/A PHE 241.A N ASP 237.A O no hydrogen 2.610 N/A ARG 242.A N ILE 238.A O no hydrogen 3.119 N/A ALA 243.A N TRP 239.A O no hydrogen 2.947 N/A ARG 244.A N ALA 104.A O no hydrogen 3.431 N/A ARG 244.A NH1 PHE 241.A O no hydrogen 2.944 N/A ARG 244.A NH1 ALA 243.A O no hydrogen 3.224 N/A ARG 244.A NH2 GLU 77.A OE1 no hydrogen 2.976 N/A VAL 246.A N ILE 102.A O no hydrogen 2.930 N/A LYS 247.A N ILE 102.A O no hydrogen 3.239 N/A ARG 250.A NH1 LEU 253.A O no hydrogen 3.094 N/A ASN 252.A N ALA 216.A O no hydrogen 2.818 N/A ASN 252.A ND2 CYS 218.A O no hydrogen 2.751 N/A LEU 253.A N ALA 216.A O no hydrogen 2.772 N/A