Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ie6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 20.A OE1 no hydrogen 2.760 N/A ARG 2.A NH1 GLU 18.A OE1 no hydrogen 3.264 N/A ARG 2.A NH1 ASP 40.A O no hydrogen 3.364 N/A ARG 2.A NH1 ASP 40.A OD1 no hydrogen 2.633 N/A ARG 2.A NH2 GLU 20.A OE1 no hydrogen 3.138 N/A ARG 2.A NH2 ASP 40.A O no hydrogen 2.870 N/A ARG 2.A NH2 SER 44.A OG no hydrogen 2.931 N/A THR 3.A N GLN 19.A O no hydrogen 2.739 N/A SER 5.A N TYR 17.A O no hydrogen 3.126 N/A SER 5.A OG THR 6.A O no hydrogen 3.557 N/A ILE 7.A N TRP 15.A O no hydrogen 3.022 N/A SER 8.A OG THR 14.A OG1 no hydrogen 3.005 N/A THR 9.A N ILE 13.A O no hydrogen 2.949 N/A THR 9.A OG1 ASN 11.A OD1 no hydrogen 2.585 N/A THR 9.A OG1 ILE 13.A O no hydrogen 3.430 N/A ASN 11.A ND2 SER 86.A OG no hydrogen 3.131 N/A GLY 12.A N THR 9.A O no hydrogen 3.037 N/A THR 14.A N LYS 66.A O no hydrogen 3.013 N/A THR 14.A OG1 SER 8.A OG no hydrogen 3.005 N/A TRP 15.A N ILE 7.A O no hydrogen 2.820 N/A TRP 15.A NE1 THR 9.A OG1 no hydrogen 2.952 N/A TYR 16.A N SER 64.A OG no hydrogen 2.823 N/A TYR 16.A OH GLU 18.A OE2 no hydrogen 2.653 N/A TYR 17.A N SER 5.A O no hydrogen 2.968 N/A GLU 18.A N THR 55.A O no hydrogen 2.931 N/A GLN 19.A N THR 3.A O no hydrogen 3.041 N/A GLN 19.A NE2 THR 54.A OG1 no hydrogen 3.035 N/A GLU 20.A N VAL 53.A O no hydrogen 2.996 N/A VAL 26.A N ARG 52.A O no hydrogen 2.895 N/A VAL 27.A N THR 97.A O no hydrogen 2.726 N/A LEU 28.A N THR 54.A O no hydrogen 2.932 N/A VAL 29.A N TRP 99.A O no hydrogen 2.886 N/A LEU 33.A N ASP 31.A OD1 no hydrogen 2.936 N/A GLY 34.A N ASP 31.A O no hydrogen 2.876 N/A CYS 36.A N ASP 57.A OD1 no hydrogen 2.892 N/A CYS 36.A SG ASP 57.A OD1 no hydrogen 3.273 N/A GLN 37.A N GLU 35.A OE2 no hydrogen 2.925 N/A GLN 37.A NE2 ASP 40.A OD2 no hydrogen 3.257 N/A MET 38.A N GLU 35.A O no hydrogen 3.412 N/A PHE 39.A N CYS 36.A O no hydrogen 3.002 N/A ASP 40.A N GLN 37.A O no hydrogen 3.180 N/A VAL 43.A N PHE 39.A O no hydrogen 2.874 N/A VAL 43.A N ASP 40.A O no hydrogen 3.247 N/A SER 44.A OG GLU 20.A OE1 no hydrogen 3.091 N/A SER 44.A OG GLU 20.A OE2 no hydrogen 2.806 N/A GLN 45.A N SER 41.A O no hydrogen 3.132 N/A ILE 46.A N SER 42.A O no hydrogen 2.805 N/A ALA 47.A N VAL 43.A O no hydrogen 2.972 N/A ALA 48.A N SER 44.A O no hydrogen 3.007 N/A ALA 48.A N GLN 45.A O no hydrogen 3.134 N/A GLN 49.A N ILE 46.A O no hydrogen 2.993 N/A PHE 51.A N GLN 49.A O no hydrogen 3.168 N/A ARG 52.A N PRO 24.A O no hydrogen 3.046 N/A ARG 52.A NE ASP 25.A OD1 no hydrogen 2.690 N/A ARG 52.A NH1 ASP 25.A OD1 no hydrogen 3.075 N/A ARG 52.A NH1 ASP 25.A OD2 no hydrogen 3.170 N/A VAL 53.A N GLU 20.A O no hydrogen 2.805 N/A THR 54.A N VAL 26.A O no hydrogen 2.926 N/A THR 55.A N GLU 18.A O no hydrogen 2.912 N/A THR 55.A OG1 LEU 28.A O no hydrogen 2.689 N/A ASP 57.A N TYR 16.A O no hydrogen 3.206 N/A MET 58.A N GLY 34.A O no hydrogen 3.026 N/A GLY 60.A N SER 64.A O no hydrogen 2.851 N/A MET 61.A N MET 58.A O no hydrogen 2.921 N/A SER 62.A N ASN 179.A OD1 no hydrogen 2.787 N/A SER 62.A OG GLU 35.A OE1 no hydrogen 2.613 N/A ARG 63.A N ASP 57.A OD2 no hydrogen 2.862 N/A ARG 63.A NE ASP 57.A OD2 no hydrogen 2.725 N/A ARG 63.A NH2 ASP 57.A OD1 no hydrogen 3.060 N/A ARG 63.A NH2 ASP 57.A OD2 no hydrogen 3.066 N/A SER 64.A N MET 61.A O no hydrogen 2.845 N/A SER 64.A OG ASP 57.A O no hydrogen 2.805 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.740 N/A THR 71.A N PRO 68.A O no hydrogen 3.053 N/A TYR 72.A N PRO 69.A O no hydrogen 3.082 N/A THR 73.A OG1 PRO 69.A O no hydrogen 2.616 N/A VAL 75.A N GLY 186.A O no hydrogen 3.001 N/A ALA 77.A N SER 194.A OG no hydrogen 3.015 N/A GLN 78.A NE2 SER 194.A O no hydrogen 3.179 N/A LYS 79.A N THR 76.A OG1 no hydrogen 3.205 N/A LYS 79.A NZ GLU 70.A O no hydrogen 2.860 N/A LYS 79.A NZ THR 73.A O no hydrogen 2.817 N/A LYS 79.A NZ GLU 74.A O no hydrogen 3.011 N/A LEU 80.A N THR 76.A O no hydrogen 3.075 N/A ALA 81.A N ALA 77.A O no hydrogen 2.845 N/A SER 82.A N GLN 78.A O no hydrogen 3.069 N/A TYR 83.A N LYS 79.A O no hydrogen 2.962 N/A TYR 83.A OH GLU 70.A O no hydrogen 3.390 N/A VAL 84.A N LEU 80.A O no hydrogen 2.974 N/A ILE 85.A N ALA 81.A O no hydrogen 2.857 N/A SER 86.A N SER 82.A O no hydrogen 2.980 N/A SER 86.A OG TYR 83.A O no hydrogen 2.489 N/A VAL 87.A N TYR 83.A O no hydrogen 3.114 N/A LEU 88.A N VAL 84.A O no hydrogen 2.975 N/A ASP 89.A N ILE 85.A O no hydrogen 2.732 N/A ALA 90.A N SER 86.A O no hydrogen 3.015 N/A LEU 91.A N VAL 87.A O no hydrogen 2.978 N/A ASP 92.A N ASP 89.A O no hydrogen 2.816 N/A ILE 93.A N LEU 88.A O no hydrogen 2.920 N/A ALA 96.A N ARG 118.A O no hydrogen 2.969 N/A THR 97.A N ASP 25.A O no hydrogen 2.942 N/A VAL 98.A N ASN 121.A O no hydrogen 2.913 N/A TRP 99.A N VAL 27.A O no hydrogen 2.933 N/A GLY 100.A N MET 123.A O no hydrogen 3.020 N/A CYS 101.A SG HIS 125.A O no hydrogen 3.779 N/A CYS 101.A SG HIS 242.A O no hydrogen 2.969 N/A ALA 102.A N HIS 125.A O no hydrogen 2.986 N/A ALA 102.A N GLU 126.A O no hydrogen 3.210 N/A GLY 104.A N CYS 101.A O no hydrogen 2.687 N/A ALA 105.A N ALA 102.A O no hydrogen 2.727 N/A SER 106.A N ALA 102.A O no hydrogen 3.112 N/A SER 106.A OG ALA 102.A O no hydrogen 3.239 N/A THR 107.A N SER 103.A O no hydrogen 2.908 N/A THR 107.A OG1 SER 103.A O no hydrogen 2.675 N/A VAL 108.A N GLY 104.A O no hydrogen 2.947 N/A VAL 109.A N ALA 105.A O no hydrogen 3.208 N/A ALA 110.A N SER 106.A O no hydrogen 3.078 N/A LEU 111.A N THR 107.A O no hydrogen 2.759 N/A LEU 112.A N VAL 108.A O no hydrogen 2.925 N/A LEU 113.A N VAL 109.A O no hydrogen 2.910 N/A GLY 114.A N ALA 110.A O no hydrogen 2.823 N/A TYR 115.A N LEU 111.A O no hydrogen 2.845 N/A ARG 118.A N TYR 115.A O no hydrogen 2.837 N/A ARG 118.A NE LYS 94.A O no hydrogen 2.849 N/A ARG 118.A NH1 ASP 89.A OD1 no hydrogen 2.970 N/A ARG 118.A NH1 ILE 93.A O no hydrogen 2.913 N/A ARG 118.A NH2 ASP 89.A OD1 no hydrogen 3.069 N/A ILE 119.A N TYR 115.A O no hydrogen 3.300 N/A ARG 120.A N ALA 96.A O no hydrogen 2.893 N/A ARG 120.A NE THR 97.A OG1 no hydrogen 3.084 N/A ARG 120.A NH2 THR 97.A OG1 no hydrogen 3.143 N/A ALA 122.A N PRO 207.A O no hydrogen 3.167 N/A MET 123.A N VAL 98.A O no hydrogen 2.825 N/A CYS 124.A N ASP 209.A O no hydrogen 3.066 N/A HIS 125.A N GLY 100.A O no hydrogen 2.875 N/A HIS 125.A ND1 THR 211.A OG1 no hydrogen 2.710 N/A HIS 125.A NE2 MET 241.A O no hydrogen 3.018 N/A GLU 126.A N THR 211.A O no hydrogen 3.000 N/A LEU 127.A N ASN 224.A OD1 no hydrogen 2.652 N/A SER 136.A N LEU 132.A O no hydrogen 3.130 N/A ASN 137.A N ASP 133.A O no hydrogen 2.769 N/A THR 138.A N LEU 135.A O no hydrogen 3.219 N/A THR 138.A OG1 LEU 135.A O no hydrogen 2.714 N/A ALA 139.A N SER 136.A O no hydrogen 3.161 N/A VAL 140.A N ASN 137.A O no hydrogen 3.441 N/A LEU 141.A N THR 138.A O no hydrogen 3.040 N/A ILE 146.A N GLU 142.A O no hydrogen 3.025 N/A SER 147.A N ASP 143.A O no hydrogen 3.000 N/A SER 147.A OG ASP 143.A O no hydrogen 3.527 N/A SER 147.A OG HIS 177.A O no hydrogen 2.635 N/A LYS 148.A N GLU 144.A O no hydrogen 3.266 N/A ILE 149.A N GLU 145.A O no hydrogen 3.134 N/A LEU 150.A N ILE 146.A O no hydrogen 2.961 N/A ALA 151.A N SER 147.A O no hydrogen 2.712 N/A ASN 152.A N LYS 148.A O no hydrogen 3.262 N/A VAL 153.A N ILE 149.A O no hydrogen 2.980 N/A MET 154.A N LEU 150.A O no hydrogen 2.981 N/A LEU 155.A N ALA 151.A O no hydrogen 3.031 N/A ASN 156.A N ASN 152.A O no hydrogen 3.065 N/A ASN 156.A ND2 ASN 152.A OD1 no hydrogen 2.587 N/A ASP 157.A N VAL 153.A O no hydrogen 3.130 N/A GLY 161.A N SER 159.A OG no hydrogen 3.014 N/A SER 162.A OG GLU 163.A OE1 no hydrogen 3.039 N/A TRP 165.A N GLY 161.A O no hydrogen 3.126 N/A GLN 166.A N SER 162.A O no hydrogen 2.839 N/A ALA 167.A N GLU 163.A O no hydrogen 2.826 N/A MET 168.A N ALA 164.A O no hydrogen 3.305 N/A MET 168.A N TRP 165.A O no hydrogen 3.399 N/A GLY 169.A N GLN 166.A O no hydrogen 3.174 N/A HIS 173.A N GLY 169.A O no hydrogen 3.210 N/A HIS 173.A NE2 TRP 165.A O no hydrogen 2.878 N/A ALA 174.A N ASP 170.A O no hydrogen 2.803 N/A ARG 175.A N GLU 171.A O no hydrogen 3.060 N/A ARG 175.A NE GLU 35.A OE1 no hydrogen 2.784 N/A ARG 175.A NH2 GLU 35.A OE1 no hydrogen 3.510 N/A ARG 175.A NH2 GLU 35.A OE2 no hydrogen 2.800 N/A LEU 176.A N VAL 172.A O no hydrogen 2.802 N/A HIS 177.A N HIS 173.A O no hydrogen 2.909 N/A ASN 179.A N ARG 175.A O no hydrogen 3.059 N/A ASN 179.A ND2 LEU 33.A O no hydrogen 2.812 N/A ASN 179.A ND2 SER 62.A OG no hydrogen 2.665 N/A TYR 180.A N LEU 176.A O no hydrogen 2.881 N/A TRP 183.A N ASN 179.A O no hydrogen 2.881 N/A ALA 184.A N TYR 180.A O no hydrogen 2.938 N/A ARG 185.A N PRO 181.A O no hydrogen 3.057 N/A ARG 185.A NH1 ASP 143.A OD1 no hydrogen 2.513 N/A GLY 186.A N TRP 183.A O no hydrogen 2.985 N/A TYR 187.A N TRP 183.A O no hydrogen 2.905 N/A THR 190.A OG1 VAL 75.A O no hydrogen 2.794 N/A ILE 191.A N TYR 187.A O no hydrogen 2.784 N/A SER 194.A N ILE 191.A O no hydrogen 3.151 N/A SER 194.A OG ILE 191.A O no hydrogen 2.635 N/A ALA 195.A N PRO 192.A O no hydrogen 2.918 N/A LYS 198.A NZ PRO 193.A O no hydrogen 2.847 N/A LYS 198.A NZ ALA 195.A O no hydrogen 3.235 N/A ALA 202.A N ASP 199.A O no hydrogen 3.048 N/A LEU 203.A N LEU 200.A O no hydrogen 3.025 N/A ARG 204.A NE GLU 201.A OE1 no hydrogen 2.782 N/A ARG 204.A NE GLU 201.A OE2 no hydrogen 3.443 N/A ARG 204.A NH1 LYS 230.A O no hydrogen 3.425 N/A ARG 204.A NH2 GLU 201.A OE2 no hydrogen 2.932 N/A ARG 204.A NH2 LYS 230.A O no hydrogen 2.939 N/A LYS 206.A N LEU 203.A O no hydrogen 3.023 N/A ASP 209.A N ALA 122.A O no hydrogen 2.926 N/A TRP 210.A N ASN 234.A O no hydrogen 2.896 N/A TRP 210.A NE1 ASN 224.A OD1 no hydrogen 3.005 N/A THR 211.A N CYS 124.A O no hydrogen 2.837 N/A THR 211.A OG1 HIS 125.A ND1 no hydrogen 2.710 N/A VAL 212.A N GLY 236.A O no hydrogen 3.092 N/A GLY 213.A N GLU 126.A OE2 no hydrogen 2.865 N/A ALA 214.A N LEU 238.A O no hydrogen 2.802 N/A ALA 215.A N GLY 240.A O no hydrogen 2.979 N/A THR 216.A N GLY 213.A O no hydrogen 3.284 N/A THR 216.A OG1 GLU 126.A OE2 no hydrogen 2.823 N/A SER 220.A N PRO 217.A O no hydrogen 3.254 N/A PHE 222.A N THR 218.A O no hydrogen 3.117 N/A ASN 224.A N PHE 221.A O no hydrogen 2.881 N/A ASN 224.A ND2 LEU 127.A O no hydrogen 2.852 N/A ASN 224.A ND2 ASP 223.A OD2 no hydrogen 3.072 N/A ILE 225.A N PHE 221.A O no hydrogen 3.460 N/A VAL 226.A N PHE 222.A O no hydrogen 3.248 N/A THR 227.A N ASP 223.A O no hydrogen 3.000 N/A THR 227.A OG1 ASP 223.A O no hydrogen 3.133 N/A ALA 228.A N ASN 224.A O no hydrogen 2.764 N/A THR 229.A N ILE 225.A O no hydrogen 3.089 N/A THR 229.A OG1 ILE 225.A O no hydrogen 2.739 N/A LYS 230.A N VAL 226.A O no hydrogen 2.944 N/A ALA 231.A N THR 227.A O no hydrogen 3.116 N/A GLY 232.A N THR 229.A O no hydrogen 3.323 N/A VAL 233.A N ALA 228.A O no hydrogen 2.906 N/A ASN 234.A ND2 ASP 209.A OD2 no hydrogen 3.336 N/A GLY 236.A N TRP 210.A O no hydrogen 3.130 N/A LEU 238.A N VAL 212.A O no hydrogen 3.189 N/A TYR 245.A OH ASP 31.A OD2 no hydrogen 2.461 N/A VAL 246.A N PHE 243.A O no hydrogen 2.731 N/A SER 247.A N PHE 243.A O no hydrogen 3.048 N/A SER 247.A OG HIS 248.A ND1 no hydrogen 2.517 N/A HIS 248.A N PRO 244.A O no hydrogen 2.782 N/A HIS 248.A ND1 SER 247.A OG no hydrogen 2.517 N/A PHE 252.A N HIS 248.A O no hydrogen 2.738 N/A ALA 253.A N PRO 249.A O no hydrogen 2.789 N/A LYS 254.A N ASP 250.A O no hydrogen 3.008 N/A LYS 254.A NZ ASP 250.A OD2 no hydrogen 3.042 N/A TYR 255.A N VAL 251.A O no hydrogen 3.015 N/A TYR 255.A N PHE 252.A O no hydrogen 3.063 N/A VAL 256.A N PHE 252.A O no hydrogen 3.040 N/A VAL 257.A N ALA 253.A O no hydrogen 2.986 N/A GLU 258.A N LYS 254.A O no hydrogen 2.988 N/A THR 259.A N TYR 255.A O no hydrogen 2.986 N/A THR 259.A OG1 TYR 255.A O no hydrogen 2.577 N/A THR 260.A N VAL 256.A O no hydrogen 2.916 N/A THR 260.A OG1 VAL 256.A O no hydrogen 2.673 N/A GLN 261.A N VAL 257.A O no hydrogen 2.821 N/A LYS 262.A N GLU 258.A O no hydrogen 3.017 N/A LYS 262.A NZ ASP 209.A OD2 no hydrogen 3.175 N/A HIS 263.A N THR 260.A O no hydrogen 2.811 N/A HIS 263.A ND1 THR 259.A O no hydrogen 3.273 N/A LEU 264.A N THR 260.A O no hydrogen 3.295 N/A LEU 264.A N GLN 261.A O no hydrogen 3.363 N/A