Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aa6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 VAL 3.A O no hydrogen 2.645 N/A SER 10.A N SER 7.A OG no hydrogen 2.979 N/A ARG 11.A N SER 7.A O no hydrogen 3.045 N/A ALA 12.A N THR 8.A O no hydrogen 2.964 N/A LEU 13.A N ILE 9.A O no hydrogen 2.852 N/A THR 14.A N SER 10.A O no hydrogen 2.927 N/A THR 14.A OG1 SER 10.A O no hydrogen 2.693 N/A MET 19.A N SER 16.A OG no hydrogen 3.142 N/A VAL 20.A N SER 16.A O no hydrogen 2.894 N/A LEU 21.A N PRO 17.A O no hydrogen 2.864 N/A GLU 22.A N VAL 18.A O no hydrogen 3.125 N/A ASN 23.A N MET 19.A O no hydrogen 2.958 N/A ILE 24.A N VAL 20.A O no hydrogen 2.847 N/A GLU 25.A N GLU 22.A O no hydrogen 3.393 N/A ALA 31.A N ASP 111.A OD1 no hydrogen 2.902 N/A GLY 32.A N ASP 111.A OD2 no hydrogen 2.701 N/A TYR 33.A N ASP 111.A OD2 no hydrogen 3.199 N/A TYR 33.A OH ASP 39.A OD1 no hydrogen 2.658 N/A TYR 33.A OH ASP 39.A OD2 no hydrogen 3.323 N/A SER 36.A N ASP 34.A OD2 no hydrogen 2.912 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 3.075 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 2.582 N/A LYS 37.A N ASP 34.A O no hydrogen 3.213 N/A LYS 37.A NZ ASN 43.A OD1 no hydrogen 3.327 N/A ASN 43.A ND2 PRO 38.A O no hydrogen 3.032 N/A LEU 44.A N THR 40.A O no hydrogen 2.976 N/A LEU 45.A N ALA 41.A O no hydrogen 2.855 N/A SER 46.A N GLU 42.A O no hydrogen 3.085 N/A SER 46.A OG GLU 42.A O no hydrogen 2.806 N/A THR 47.A N ASN 43.A O no hydrogen 2.970 N/A THR 47.A OG1 ASN 43.A O no hydrogen 2.945 N/A LEU 48.A N LEU 44.A O no hydrogen 2.923 N/A ASN 49.A N LEU 45.A O no hydrogen 2.894 N/A ASN 49.A ND2 GLU 233.A O no hydrogen 3.020 N/A ARG 50.A N SER 46.A O no hydrogen 2.992 N/A LEU 51.A N THR 47.A O no hydrogen 2.893 N/A ALA 52.A N LEU 48.A O no hydrogen 2.826 N/A GLY 53.A N ASN 49.A O no hydrogen 3.021 N/A LYS 54.A N ARG 50.A O no hydrogen 3.092 N/A LYS 54.A NZ TYR 30.A O no hydrogen 3.412 N/A GLN 55.A N LEU 51.A O no hydrogen 2.826 N/A MET 56.A N ALA 52.A O no hydrogen 2.859 N/A ILE 57.A N GLY 53.A O no hydrogen 3.256 N/A GLN 58.A N LYS 54.A O no hydrogen 3.471 N/A VAL 59.A N GLN 55.A O no hydrogen 2.904 N/A VAL 60.A N MET 56.A O no hydrogen 2.997 N/A LYS 61.A N ILE 57.A O no hydrogen 3.312 N/A TRP 62.A N GLN 58.A O no hydrogen 2.966 N/A ALA 63.A N VAL 59.A O no hydrogen 2.849 N/A LYS 64.A N VAL 60.A O no hydrogen 3.118 N/A VAL 65.A N TRP 62.A O no hydrogen 3.080 N/A LEU 66.A N ALA 63.A O no hydrogen 3.382 N/A PHE 69.A N LEU 66.A O no hydrogen 2.987 N/A ASN 71.A N GLY 68.A O no hydrogen 2.958 N/A LEU 72.A N PHE 69.A O no hydrogen 3.079 N/A ASP 76.A N PRO 73.A O no hydrogen 2.873 N/A GLN 77.A N PRO 73.A O no hydrogen 3.091 N/A GLN 77.A NE2 LEU 72.A O no hydrogen 2.732 N/A ILE 78.A N LEU 74.A O no hydrogen 3.061 N/A THR 79.A N GLU 75.A O no hydrogen 3.078 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.816 N/A LEU 80.A N ASP 76.A O no hydrogen 2.945 N/A ILE 81.A N GLN 77.A O no hydrogen 3.159 N/A GLN 82.A N ILE 78.A O no hydrogen 3.106 N/A TYR 83.A N THR 79.A O no hydrogen 2.888 N/A TYR 83.A OH ASN 253.A OD1 no hydrogen 2.881 N/A SER 84.A N LEU 80.A O no hydrogen 2.926 N/A SER 84.A OG LEU 80.A O no hydrogen 2.777 N/A LEU 88.A N SER 84.A O no hydrogen 2.963 N/A LEU 89.A N TRP 85.A O no hydrogen 2.981 N/A SER 90.A N MET 86.A O no hydrogen 2.970 N/A SER 90.A OG MET 86.A O no hydrogen 2.896 N/A SER 90.A OG SER 87.A O no hydrogen 3.363 N/A PHE 91.A N SER 87.A O no hydrogen 3.060 N/A ALA 92.A N LEU 88.A O no hydrogen 3.008 N/A LEU 93.A N LEU 89.A O no hydrogen 2.979 N/A SER 94.A N SER 90.A O no hydrogen 3.094 N/A SER 94.A OG SER 90.A O no hydrogen 3.502 N/A SER 94.A OG MET 131.A O no hydrogen 3.004 N/A SER 94.A OG SER 135.A OG no hydrogen 3.398 N/A TRP 95.A N PHE 91.A O no hydrogen 3.008 N/A ARG 96.A N ALA 92.A O no hydrogen 2.929 N/A ARG 96.A NE TYR 107.A O no hydrogen 3.028 N/A SER 97.A N LEU 93.A O no hydrogen 2.885 N/A SER 97.A OG LEU 93.A O no hydrogen 2.713 N/A SER 97.A OG PHE 105.A O no hydrogen 3.374 N/A TYR 98.A N SER 94.A O no hydrogen 2.854 N/A TYR 98.A OH LEU 143.A O no hydrogen 2.715 N/A LYS 99.A N TRP 95.A O no hydrogen 2.891 N/A HIS 100.A N ARG 96.A O no hydrogen 2.810 N/A THR 101.A N SER 97.A O no hydrogen 2.938 N/A THR 101.A OG1 SER 97.A O no hydrogen 2.729 N/A THR 101.A OG1 PHE 105.A O no hydrogen 3.427 N/A SER 103.A N SER 97.A O no hydrogen 2.932 N/A SER 103.A OG SER 135.A O no hydrogen 2.748 N/A GLN 104.A N THR 101.A O no hydrogen 3.063 N/A GLN 104.A N THR 101.A OG1 no hydrogen 3.134 N/A PHE 105.A N THR 101.A OG1 no hydrogen 3.102 N/A LEU 106.A N PHE 114.A O no hydrogen 3.111 N/A TYR 107.A N SER 97.A OG no hydrogen 2.898 N/A PHE 108.A N LEU 106.A O no hydrogen 3.107 N/A ALA 109.A N LEU 112.A O no hydrogen 3.177 N/A ASP 111.A N ASP 111.A OD1 no hydrogen 2.646 N/A LEU 112.A N ALA 109.A O no hydrogen 2.909 N/A PHE 114.A N LEU 106.A O no hydrogen 2.850 N/A LYS 118.A N ASN 115.A OD1 no hydrogen 3.077 N/A LYS 118.A NZ ASP 39.A OD2 no hydrogen 2.887 N/A MET 119.A N ASN 115.A O no hydrogen 3.064 N/A HIS 120.A N GLU 116.A O no hydrogen 2.916 N/A GLN 121.A N GLU 117.A O no hydrogen 2.977 N/A SER 122.A N LYS 118.A O no hydrogen 2.912 N/A SER 122.A OG MET 119.A O no hydrogen 2.635 N/A ALA 123.A N HIS 120.A O no hydrogen 3.071 N/A MET 124.A N SER 122.A OG no hydrogen 3.018 N/A TYR 125.A OH GLU 116.A OE1 no hydrogen 2.582 N/A CYS 128.A N MET 124.A O no hydrogen 2.900 N/A CYS 128.A SG MET 124.A O no hydrogen 3.406 N/A GLN 129.A N TYR 125.A O no hydrogen 2.921 N/A GLN 129.A NE2 GLU 116.A OE2 no hydrogen 2.918 N/A GLY 130.A N GLU 126.A O no hydrogen 2.950 N/A MET 131.A N LEU 127.A O no hydrogen 3.010 N/A HIS 132.A N CYS 128.A O no hydrogen 2.803 N/A HIS 132.A NE2 SER 103.A O no hydrogen 2.983 N/A GLN 133.A N GLN 129.A O no hydrogen 2.872 N/A ILE 134.A N GLY 130.A O no hydrogen 3.411 N/A SER 135.A N MET 131.A O no hydrogen 3.193 N/A SER 135.A OG MET 131.A O no hydrogen 3.271 N/A LEU 136.A N HIS 132.A O no hydrogen 2.925 N/A GLN 137.A N GLN 133.A O no hydrogen 2.964 N/A PHE 138.A N ILE 134.A O no hydrogen 3.090 N/A VAL 139.A N SER 135.A O no hydrogen 3.409 N/A ARG 140.A N LEU 136.A O no hydrogen 3.126 N/A LEU 141.A N GLN 137.A O no hydrogen 2.929 N/A GLN 142.A N VAL 139.A O no hydrogen 3.139 N/A GLN 142.A NE2 VAL 139.A O no hydrogen 2.805 N/A LEU 143.A N PHE 138.A O no hydrogen 3.026 N/A THR 144.A N GLU 147.A OE2 no hydrogen 2.962 N/A THR 144.A OG1 GLU 146.A OE1 no hydrogen 3.526 N/A GLU 147.A N THR 144.A OG1 no hydrogen 3.207 N/A TYR 148.A N THR 144.A O no hydrogen 2.948 N/A THR 149.A N PHE 145.A O no hydrogen 2.900 N/A THR 149.A OG1 PHE 145.A O no hydrogen 3.399 N/A THR 149.A OG1 GLU 146.A O no hydrogen 2.921 N/A ILE 150.A N GLU 146.A O no hydrogen 3.193 N/A MET 151.A N GLU 147.A O no hydrogen 2.946 N/A LYS 152.A N TYR 148.A O no hydrogen 2.899 N/A LYS 152.A NZ GLU 25.A OE2 no hydrogen 3.141 N/A VAL 153.A N THR 149.A O no hydrogen 3.354 N/A LEU 154.A N ILE 150.A O no hydrogen 2.993 N/A LEU 155.A N MET 151.A O no hydrogen 2.854 N/A LEU 156.A N LYS 152.A O no hydrogen 3.088 N/A LEU 157.A N VAL 153.A O no hydrogen 3.152 N/A LEU 157.A N LEU 154.A O no hydrogen 3.063 N/A SER 158.A N LEU 155.A O no hydrogen 3.006 N/A SER 158.A OG LEU 155.A O no hydrogen 2.593 N/A ILE 160.A N LYS 255.A O no hydrogen 2.962 N/A LYS 162.A N ASN 253.A O no hydrogen 2.888 N/A ASP 163.A N ASP 163.A OD1 no hydrogen 2.299 N/A LEU 165.A N GLN 168.A OE1 no hydrogen 3.369 N/A LYS 166.A N ASP 76.A OD1 no hydrogen 2.826 N/A SER 167.A N ASP 76.A OD2 no hydrogen 2.974 N/A ALA 170.A N SER 167.A OG no hydrogen 3.159 N/A PHE 171.A N SER 167.A O no hydrogen 3.130 N/A GLU 172.A N GLN 168.A O no hydrogen 2.826 N/A GLU 173.A N ALA 169.A O no hydrogen 2.887 N/A MET 174.A N ALA 170.A O no hydrogen 3.143 N/A ARG 175.A N PHE 171.A O no hydrogen 2.868 N/A ARG 175.A NE LEU 157.A O no hydrogen 3.110 N/A THR 176.A N GLU 172.A O no hydrogen 2.798 N/A THR 176.A OG1 GLU 172.A O no hydrogen 2.965 N/A ASN 177.A N GLU 173.A O no hydrogen 2.982 N/A TYR 178.A N MET 174.A O no hydrogen 3.059 N/A TYR 178.A OH PRO 67.A O no hydrogen 2.711 N/A ILE 179.A N ARG 175.A O no hydrogen 2.985 N/A LYS 180.A N THR 176.A O no hydrogen 2.949 N/A GLU 181.A N ASN 177.A O no hydrogen 3.010 N/A LEU 182.A N TYR 178.A O no hydrogen 3.109 N/A ARG 183.A N ILE 179.A O no hydrogen 2.898 N/A ARG 183.A NH1 SER 195.A OG no hydrogen 2.680 N/A ARG 183.A NH2 SER 195.A OG no hydrogen 3.090 N/A LYS 184.A N LYS 180.A O no hydrogen 2.964 N/A MET 185.A N GLU 181.A O no hydrogen 2.906 N/A VAL 186.A N LEU 182.A O no hydrogen 3.063 N/A THR 187.A N LYS 184.A O no hydrogen 3.069 N/A THR 187.A OG1 ARG 183.A O no hydrogen 3.080 N/A GLN 194.A N ASN 191.A OD1 no hydrogen 3.019 N/A SER 195.A N ASN 191.A O no hydrogen 2.896 N/A SER 195.A OG VAL 186.A O no hydrogen 3.417 N/A TRP 196.A N SER 192.A O no hydrogen 2.743 N/A GLN 197.A N GLY 193.A O no hydrogen 3.057 N/A ARG 198.A N GLN 194.A O no hydrogen 2.991 N/A ARG 198.A NE GLU 147.A OE1 no hydrogen 2.718 N/A ARG 198.A NH1 LEU 141.A O no hydrogen 2.849 N/A ARG 198.A NH2 LEU 141.A O no hydrogen 2.854 N/A ARG 198.A NH2 GLN 142.A O no hydrogen 3.198 N/A ARG 198.A NH2 GLU 147.A OE1 no hydrogen 3.391 N/A ARG 198.A NH2 GLU 147.A OE2 no hydrogen 2.743 N/A PHE 199.A N SER 195.A O no hydrogen 3.085 N/A TYR 200.A N TRP 196.A O no hydrogen 2.882 N/A GLN 201.A N GLN 197.A O no hydrogen 3.060 N/A LEU 202.A N ARG 198.A O no hydrogen 2.922 N/A THR 203.A N PHE 199.A O no hydrogen 2.931 N/A THR 203.A OG1 PHE 199.A O no hydrogen 2.950 N/A THR 203.A OG1 TYR 200.A O no hydrogen 3.244 N/A THR 203.A OG1 HIS 260.A NE2 no hydrogen 2.916 N/A LYS 204.A N TYR 200.A O no hydrogen 2.937 N/A LEU 205.A N GLN 201.A O no hydrogen 3.048 N/A LEU 206.A N LEU 202.A O no hydrogen 3.012 N/A ASP 207.A N THR 203.A O no hydrogen 2.959 N/A SER 208.A N LYS 204.A O no hydrogen 2.943 N/A SER 208.A OG LEU 205.A O no hydrogen 2.550 N/A MET 209.A N LEU 206.A O no hydrogen 2.987 N/A HIS 210.A N ASP 207.A O no hydrogen 3.058 N/A HIS 210.A NE2 LEU 257.A O no hydrogen 2.904 N/A LEU 212.A N SER 208.A O no hydrogen 3.419 N/A VAL 213.A N MET 209.A O no hydrogen 2.710 N/A SER 214.A N HIS 210.A O no hydrogen 2.886 N/A SER 214.A OG HIS 210.A O no hydrogen 2.772 N/A ASP 215.A N ASP 211.A O no hydrogen 3.163 N/A LEU 216.A N LEU 212.A O no hydrogen 2.905 N/A LEU 217.A N VAL 213.A O no hydrogen 2.841 N/A GLU 218.A N SER 214.A O no hydrogen 2.943 N/A PHE 219.A N ASP 215.A O no hydrogen 3.206 N/A CYS 220.A N LEU 216.A O no hydrogen 2.926 N/A PHE 221.A N LEU 217.A O no hydrogen 2.800 N/A TYR 222.A N GLU 218.A O no hydrogen 3.018 N/A THR 223.A N PHE 219.A O no hydrogen 2.879 N/A THR 223.A OG1.A CYS 220.A O no hydrogen 3.217 N/A THR 223.A OG1.B PHE 219.A O no hydrogen 3.270 N/A PHE 224.A N CYS 220.A O no hydrogen 2.808 N/A ARG 225.A N PHE 221.A O no hydrogen 2.983 N/A ARG 225.A NH1 GLU 250.A OE1 no hydrogen 2.918 N/A ARG 225.A NH2 GLU 250.A OE2 no hydrogen 3.137 N/A GLU 226.A N TYR 222.A O no hydrogen 3.075 N/A SER 227.A N PHE 224.A O no hydrogen 3.321 N/A SER 227.A OG PHE 224.A O no hydrogen 3.271 N/A LEU 230.A N GLU 226.A O no hydrogen 2.916 N/A LYS 231.A N HIS 228.A O no hydrogen 3.259 N/A VAL 232.A N SER 227.A O no hydrogen 3.128 N/A GLU 233.A N SER 46.A OG no hydrogen 2.882 N/A VAL 239.A N PRO 235.A O no hydrogen 3.003 N/A GLU 240.A N ALA 236.A O no hydrogen 2.914 N/A ILE 241.A N MET 237.A O no hydrogen 2.999 N/A ILE 242.A N LEU 238.A O no hydrogen 2.787 N/A SER 243.A N VAL 239.A O no hydrogen 2.910 N/A SER 243.A OG VAL 239.A O no hydrogen 2.653 N/A ASP 244.A N GLU 240.A O no hydrogen 3.386 N/A ASP 244.A N ILE 241.A O no hydrogen 3.161 N/A GLN 245.A N ILE 241.A O no hydrogen 2.924 N/A LEU 246.A N ILE 242.A O no hydrogen 2.800 N/A LYS 248.A NZ ASP 244.A OD1 no hydrogen 2.567 N/A LYS 248.A NZ ASP 244.A OD2 no hydrogen 3.336 N/A VAL 249.A N GLN 245.A O no hydrogen 2.797 N/A GLU 250.A N LEU 246.A O no hydrogen 2.869 N/A SER 251.A N PRO 247.A O no hydrogen 2.986 N/A SER 251.A OG PRO 247.A O no hydrogen 2.738 N/A SER 251.A OG LYS 248.A O no hydrogen 3.103 N/A GLY 252.A N VAL 249.A O no hydrogen 3.033 N/A ASN 253.A N LYS 248.A O no hydrogen 2.861 N/A ASN 253.A ND2 ASP 163.A OD1 no hydrogen 2.082 N/A LYS 255.A N ILE 160.A O no hydrogen 2.638 N/A LEU 257.A N SER 158.A O no hydrogen 2.818 N/A PHE 259.A N ASP 207.A OD1 no hydrogen 3.279 N/A PHE 259.A N ASP 207.A OD2 no hydrogen 2.902 N/A HIS 260.A N ASP 207.A OD1 no hydrogen 2.877 N/A