Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aa0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N SER 3.A OG no hydrogen 3.034 N/A LYS 7.A N SER 3.A O no hydrogen 2.916 N/A VAL 8.A N ASP 4.A O no hydrogen 2.990 N/A ARG 9.A N GLU 5.A O no hydrogen 3.078 N/A ARG 9.A NE GLU 6.A OE1 no hydrogen 3.292 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 2.742 N/A ARG 9.A NH2 GLU 6.A OE1 no hydrogen 2.724 N/A ILE 10.A N GLU 6.A O no hydrogen 2.979 N/A ALA 11.A N LYS 7.A O no hydrogen 2.865 N/A ALA 12.A N VAL 8.A O no hydrogen 2.840 N/A LYS 13.A N ARG 9.A O no hydrogen 2.866 N/A PHE 14.A N ILE 10.A O no hydrogen 2.877 N/A ILE 15.A N ALA 11.A O no hydrogen 3.015 N/A THR 16.A N ALA 12.A O no hydrogen 3.041 N/A THR 16.A OG1 LYS 13.A O no hydrogen 2.935 N/A HIS 17.A N PHE 14.A O no hydrogen 2.858 N/A ALA 18.A N ILE 15.A O no hydrogen 3.446 N/A GLU 22.A N PRO 19.A O no hydrogen 3.106 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.790 N/A VAL 26.A N GLU 22.A O no hydrogen 3.256 N/A PHE 27.A N PHE 23.A O no hydrogen 2.879 N/A ASN 28.A N ASN 24.A O no hydrogen 2.842 N/A ASP 29.A N GLU 25.A O no hydrogen 3.023 N/A VAL 30.A N VAL 26.A O no hydrogen 2.858 N/A ARG 31.A N PHE 27.A O no hydrogen 2.902 N/A ARG 31.A NE ASP 37.A OD1 no hydrogen 3.442 N/A ARG 31.A NH2 ASP 37.A OD2 no hydrogen 3.445 N/A LEU 32.A N ASN 28.A O no hydrogen 3.177 N/A LEU 33.A N ASP 29.A O no hydrogen 3.082 N/A LEU 34.A N VAL 30.A O no hydrogen 2.918 N/A ASN 35.A N ARG 31.A O no hydrogen 3.014 N/A LEU 39.A N ASN 36.A OD1 no hydrogen 3.017 N/A LEU 40.A N ASN 36.A O no hydrogen 3.017 N/A ARG 41.A N ASP 37.A O no hydrogen 3.153 N/A GLU 42.A N ASN 38.A O no hydrogen 3.467 N/A GLY 43.A N LEU 39.A O no hydrogen 3.079 N/A ALA 44.A N LEU 40.A O no hydrogen 3.152 N/A HIS 46.A NE2 GLY 43.A O no hydrogen 2.793 N/A ALA 47.A N ALA 44.A O no hydrogen 3.355 N/A GLN 50.A N HIS 46.A O no hydrogen 2.875 N/A GLN 50.A NE2 GLN 50.A O no hydrogen 3.649 N/A GLN 50.A NE2 ASP 54.A OD2 no hydrogen 2.950 N/A TYR 51.A N ALA 47.A O no hydrogen 2.855 N/A TYR 51.A OH PRO 19.A O no hydrogen 3.237 N/A ASN 52.A N PHE 48.A O no hydrogen 2.992 N/A MET 53.A N ALA 49.A O no hydrogen 2.987 N/A ASP 54.A N GLN 50.A O no hydrogen 2.882 N/A GLN 55.A N TYR 51.A O no hydrogen 2.975 N/A PHE 56.A N MET 53.A O no hydrogen 3.444 N/A THR 57.A N ASN 52.A O no hydrogen 3.193 N/A THR 57.A OG1 ASN 52.A O no hydrogen 3.257 N/A VAL 59.A N VAL 68.A O no hydrogen 2.836 N/A LYS 60.A NZ TYR 64.A O no hydrogen 2.582 N/A LYS 60.A NZ ASP 66.A O no hydrogen 3.404 N/A TYR 64.A N ILE 61.A O no hydrogen 3.117 N/A VAL 68.A N VAL 59.A O no hydrogen 2.966 N/A LEU 69.A N THR 136.A OG1 no hydrogen 2.983 N/A ILE 70.A N THR 57.A O no hydrogen 2.741 N/A THR 71.A OG1 TYR 138.A OH no hydrogen 2.825 N/A HIS 73.A N THR 71.A OG1 no hydrogen 3.023 N/A HIS 73.A NE2 GLU 170.A OE1 no hydrogen 2.909 N/A GLY 74.A N THR 71.A O no hydrogen 3.046 N/A ASP 75.A N GLU 72.A O no hydrogen 3.397 N/A LEU 76.A N ARG 80.A O no hydrogen 2.910 N/A GLY 77.A N ASP 75.A OD2 no hydrogen 2.833 N/A ARG 80.A N GLY 77.A O no hydrogen 3.200 N/A ARG 80.A NE SER 89.A OG no hydrogen 3.113 N/A ARG 80.A NH1 ASP 101.A O no hydrogen 3.568 N/A ARG 80.A NH1 ASP 101.A OD1 no hydrogen 2.984 N/A ARG 80.A NH2 SER 89.A OG no hydrogen 2.946 N/A ARG 80.A NH2 ASP 101.A O no hydrogen 2.830 N/A PHE 81.A N PHE 90.A O no hydrogen 2.876 N/A LEU 82.A N GLY 74.A O no hydrogen 2.768 N/A ASP 83.A N ILE 88.A O no hydrogen 2.804 N/A ARG 85.A N ASP 83.A OD2 no hydrogen 3.034 N/A ARG 85.A NE ASP 119.A OD2 no hydrogen 2.727 N/A ARG 85.A NH2 ASP 119.A OD1 no hydrogen 2.973 N/A ARG 85.A NH2 CYS 135.A O no hydrogen 3.108 N/A ASN 86.A N ASP 83.A OD2 no hydrogen 3.137 N/A ASN 86.A ND2 ASP 83.A OD1 no hydrogen 2.772 N/A LYS 87.A NZ PRO 84.A O no hydrogen 3.412 N/A LYS 87.A NZ ARG 85.A O no hydrogen 3.072 N/A LYS 87.A NZ ASP 116.A OD1 no hydrogen 3.023 N/A ILE 88.A N ASP 83.A O no hydrogen 3.290 N/A SER 89.A N GLN 103.A O no hydrogen 2.799 N/A SER 89.A OG GLU 105.A OE2 no hydrogen 3.473 N/A PHE 90.A N PHE 81.A O no hydrogen 2.942 N/A LYS 91.A N SER 100.A O no hydrogen 2.786 N/A PHE 92.A N GLY 79.A O no hydrogen 2.925 N/A ASP 93.A N GLU 98.A O no hydrogen 2.899 N/A HIS 94.A ND1 ASN 52.A OD1 no hydrogen 2.988 N/A LEU 95.A N ASP 93.A OD2 no hydrogen 2.948 N/A ARG 96.A N ASP 93.A OD2 no hydrogen 2.970 N/A ARG 96.A NE GLU 98.A OE1 no hydrogen 3.351 N/A ARG 96.A NE GLU 98.A OE2 no hydrogen 3.018 N/A ARG 96.A NH2 GLU 98.A OE1 no hydrogen 3.355 N/A GLU 98.A N ASP 93.A O no hydrogen 3.393 N/A SER 100.A N LYS 91.A O no hydrogen 2.836 N/A GLN 103.A N SER 89.A O no hydrogen 2.921 N/A GLN 103.A NE2 ASP 101.A OD2 no hydrogen 2.833 N/A GLU 105.A N LYS 87.A O no hydrogen 3.068 N/A THR 107.A N ASP 106.A OD1 no hydrogen 3.227 N/A LYS 112.A N SER 109.A O no hydrogen 3.313 N/A ARG 115.A N LEU 111.A O no hydrogen 2.760 N/A ARG 115.A NE ASP 116.A OD1 no hydrogen 3.199 N/A ARG 115.A NH1 VAL 137.A O no hydrogen 2.862 N/A ARG 115.A NH2 ASP 116.A OD1 no hydrogen 2.861 N/A ARG 115.A NH2 ASP 119.A OD2 no hydrogen 3.171 N/A ASP 116.A N LYS 112.A O no hydrogen 3.010 N/A ALA 117.A N GLN 113.A O no hydrogen 2.954 N/A CYS 118.A N TRP 114.A O no hydrogen 2.957 N/A CYS 118.A SG TRP 114.A O no hydrogen 3.353 N/A ASP 119.A N ARG 115.A O no hydrogen 2.766 N/A SER 120.A N ASP 116.A O no hydrogen 2.943 N/A ALA 121.A N ALA 117.A O no hydrogen 3.126 N/A LEU 122.A N CYS 118.A O no hydrogen 2.824 N/A ARG 123.A N ASP 119.A O no hydrogen 2.879 N/A ALA 124.A N SER 120.A O no hydrogen 3.487 N/A TYR 125.A N ALA 121.A O no hydrogen 3.091 N/A TYR 125.A OH GLU 230.A OE1 no hydrogen 2.495 N/A VAL 126.A N LEU 122.A O no hydrogen 2.749 N/A LYS 127.A N ARG 123.A O no hydrogen 3.029 N/A LYS 127.A NZ ASP 66.A OD1 no hydrogen 2.752 N/A LYS 127.A NZ ASP 66.A OD2 no hydrogen 3.258 N/A LYS 127.A NZ GLY 133.A O no hydrogen 2.993 N/A ASP 128.A N ALA 124.A O no hydrogen 3.008 N/A HIS 129.A N TYR 125.A O no hydrogen 3.022 N/A HIS 129.A N VAL 126.A O no hydrogen 3.214 N/A HIS 129.A ND1.A TYR 125.A O no hydrogen 2.651 N/A HIS 129.A NE2.A GLU 227.A OE1 no hydrogen 2.672 N/A HIS 129.A NE2.B GLU 227.A OE1 no hydrogen 2.741 N/A TYR 130.A N VAL 126.A O no hydrogen 2.995 N/A TYR 130.A OH GLU 230.A OE1 no hydrogen 2.534 N/A PHE 134.A N GLU 153.A O no hydrogen 2.848 N/A THR 136.A N CYS 151.A O no hydrogen 3.012 N/A TYR 138.A N ILE 149.A O no hydrogen 2.820 N/A TYR 138.A OH THR 71.A OG1 no hydrogen 2.825 N/A LYS 140.A N THR 147.A O no hydrogen 2.929 N/A LYS 140.A NZ HIS 73.A O no hydrogen 2.769 N/A SER 141.A N GLU 108.A OE2 no hydrogen 2.848 N/A ILE 142.A N GLN 145.A O no hydrogen 2.828 N/A GLN 145.A N ILE 142.A O no hydrogen 2.811 N/A THR 147.A N LYS 140.A O no hydrogen 2.826 N/A THR 147.A OG1 GLN 145.A O no hydrogen 3.228 N/A ILE 148.A N PHE 173.A O no hydrogen 2.885 N/A ILE 149.A N TYR 138.A O no hydrogen 2.852 N/A ALA 150.A N TRP 171.A O no hydrogen 2.773 N/A CYS 151.A N THR 136.A O no hydrogen 2.892 N/A ILE 152.A N SER 169.A O no hydrogen 2.888 N/A GLU 153.A N PHE 134.A O no hydrogen 2.817 N/A SER 154.A N TRP 167.A O no hydrogen 2.948 N/A HIS 155.A ND1 GLU 153.A OE1 no hydrogen 2.533 N/A GLN 156.A N GLY 165.A O no hydrogen 2.971 N/A GLN 158.A N TRP 163.A O no hydrogen 2.898 N/A GLN 158.A NE2 ASN 161.A OD1 no hydrogen 2.891 N/A ASN 161.A N GLN 158.A O no hydrogen 2.854 N/A PHE 162.A N PRO 159.A O no hydrogen 3.010 N/A TRP 163.A N GLN 158.A O no hydrogen 3.211 N/A ASN 164.A N HIS 191.A O no hydrogen 3.006 N/A ASN 164.A ND2 GLU 22.A OE2 no hydrogen 2.922 N/A ASN 164.A ND2 TYR 193.A OH no hydrogen 3.100 N/A GLY 165.A N GLN 156.A O no hydrogen 2.884 N/A ARG 166.A N GLN 189.A O no hydrogen 2.841 N/A ARG 166.A NE GLU 153.A OE1 no hydrogen 2.929 N/A ARG 166.A NH1 GLN 55.A OE1 no hydrogen 3.383 N/A ARG 166.A NH2 GLU 153.A OE1 no hydrogen 3.085 N/A ARG 166.A NH2 HIS 155.A ND1 no hydrogen 3.295 N/A TRP 167.A N SER 154.A O no hydrogen 2.759 N/A TRP 167.A NE1 SER 169.A OG no hydrogen 3.114 N/A ARG 168.A N LYS 187.A O no hydrogen 2.863 N/A ARG 168.A NH1 ASP 54.A O no hydrogen 2.845 N/A SER 169.A N ILE 152.A O no hydrogen 2.926 N/A SER 169.A OG GLU 230.A OE2 no hydrogen 2.591 N/A GLU 170.A N VAL 185.A O no hydrogen 2.967 N/A TRP 171.A N ALA 150.A O no hydrogen 2.773 N/A TRP 171.A NE1 GLU 230.A OE2 no hydrogen 2.925 N/A LYS 172.A N ALA 183.A O no hydrogen 2.732 N/A LYS 172.A NZ GLU 170.A OE2 no hydrogen 3.283 N/A PHE 173.A N ILE 148.A O no hydrogen 2.874 N/A THR 174.A N GLN 181.A O no hydrogen 2.900 N/A ILE 175.A N GLN 146.A O no hydrogen 2.822 N/A THR 176.A N THR 179.A O no hydrogen 2.795 N/A THR 176.A OG1 THR 176.A O no hydrogen 2.669 N/A THR 176.A OG1 THR 179.A O no hydrogen 3.330 N/A THR 176.A OG1 THR 179.A OG1 no hydrogen 3.277 N/A THR 179.A N THR 176.A O no hydrogen 3.054 N/A THR 179.A OG1 THR 176.A OG1 no hydrogen 3.277 N/A THR 179.A OG1 GLN 181.A OE1 no hydrogen 2.837 N/A ALA 180.A N VAL 210.A O no hydrogen 2.814 N/A GLN 181.A N THR 174.A O no hydrogen 2.904 N/A GLN 181.A NE2 THR 176.A OG1 no hydrogen 3.271 N/A VAL 182.A N ASP 208.A O no hydrogen 2.818 N/A ALA 183.A N LYS 172.A O no hydrogen 2.992 N/A ALA 184.A N ILE 206.A O no hydrogen 2.957 N/A VAL 185.A N GLU 170.A O no hydrogen 3.033 N/A LEU 186.A N LYS 204.A O no hydrogen 2.947 N/A LYS 187.A N ARG 168.A O no hydrogen 2.784 N/A ILE 188.A N SER 202.A O no hydrogen 2.984 N/A GLN 189.A N ARG 166.A O no hydrogen 2.959 N/A GLN 189.A NE2 GLN 199.A OE1 no hydrogen 2.938 N/A VAL 190.A N LEU 200.A O no hydrogen 3.026 N/A HIS 191.A N ASN 164.A O no hydrogen 2.901 N/A HIS 191.A ND1 GLU 22.A OE2 no hydrogen 2.560 N/A TYR 192.A N VAL 198.A O no hydrogen 2.922 N/A TYR 193.A N PHE 162.A O no hydrogen 2.873 N/A VAL 198.A N TYR 192.A O no hydrogen 2.898 N/A GLN 199.A NE2 ASN 197.A OD1 no hydrogen 3.108 N/A LEU 200.A N VAL 190.A O no hydrogen 2.971 N/A SER 202.A N ILE 188.A O no hydrogen 2.957 N/A SER 202.A OG TYR 233.A OH no hydrogen 2.711 N/A LYS 204.A N LEU 186.A O no hydrogen 2.902 N/A ILE 206.A N ALA 184.A O no hydrogen 2.895 N/A ASP 208.A N VAL 182.A O no hydrogen 3.004 N/A SER 209.A N ASP 208.A OD2 no hydrogen 2.711 N/A VAL 210.A N ALA 180.A O no hydrogen 3.036 N/A VAL 212.A N PRO 178.A O no hydrogen 2.699 N/A SER 213.A N THR 218.A OG1 no hydrogen 3.002 N/A VAL 216.A N ASP 215.A OD2 no hydrogen 2.686 N/A THR 218.A N SER 214.A O no hydrogen 2.841 N/A THR 218.A OG1 SER 214.A O no hydrogen 2.618 N/A ALA 219.A N ASP 215.A O no hydrogen 2.845 N/A LYS 220.A N VAL 216.A O no hydrogen 3.173 N/A GLU 221.A N GLN 217.A O no hydrogen 3.201 N/A PHE 222.A N THR 218.A O no hydrogen 2.832 N/A ILE 223.A N ALA 219.A O no hydrogen 2.965 N/A LYS 224.A N LYS 220.A O no hydrogen 3.104 N/A LYS 224.A NZ GLU 221.A OE2 no hydrogen 2.681 N/A ILE 225.A N GLU 221.A O no hydrogen 3.093 N/A ILE 226.A N PHE 222.A O no hydrogen 2.938 N/A GLU 227.A N ILE 223.A O no hydrogen 2.823 N/A ASN 228.A N LYS 224.A O no hydrogen 3.062 N/A ALA 229.A N ILE 225.A O no hydrogen 3.059 N/A GLU 230.A N ILE 226.A O no hydrogen 2.865 N/A ASN 231.A N GLU 227.A O no hydrogen 2.904 N/A GLU 232.A N ASN 228.A O no hydrogen 2.925 N/A TYR 233.A N ALA 229.A O no hydrogen 2.905 N/A TYR 233.A OH SER 202.A OG no hydrogen 2.711 N/A GLN 234.A N GLU 230.A O no hydrogen 2.997 N/A THR 235.A N ASN 231.A O no hydrogen 2.941 N/A THR 235.A OG1 ASN 231.A O no hydrogen 3.008 N/A ALA 236.A N GLU 232.A O no hydrogen 2.880 N/A ILE 237.A N TYR 233.A O no hydrogen 2.918 N/A SER 238.A N GLN 234.A O no hydrogen 3.174 N/A SER 238.A OG.A THR 235.A O no hydrogen 2.740 N/A GLU 239.A N THR 235.A O no hydrogen 3.005 N/A ASN 240.A N ALA 236.A O no hydrogen 2.791 N/A TYR 241.A N ILE 237.A O no hydrogen 2.878 N/A GLN 242.A N SER 238.A O no hydrogen 3.262 N/A GLN 242.A NE2 ASP 246.A OD2 no hydrogen 2.868 N/A THR 243.A N GLU 239.A O no hydrogen 3.088 N/A THR 243.A OG1 GLU 239.A O no hydrogen 3.177 N/A MET 244.A N ASN 240.A O no hydrogen 2.910 N/A SER 245.A N TYR 241.A O no hydrogen 2.963 N/A SER 245.A OG.A TYR 241.A O no hydrogen 3.438 N/A SER 245.A OG.A GLN 242.A O no hydrogen 2.869 N/A ASP 246.A N GLN 242.A O no hydrogen 3.054 N/A THR 247.A N THR 243.A O no hydrogen 2.942 N/A THR 247.A OG1 THR 243.A O no hydrogen 2.674 N/A THR 248.A N THR 247.A OG1 no hydrogen 2.732 N/A PHE 249.A N MET 244.A O no hydrogen 2.881 N/A ALA 251.A N THR 247.A O no hydrogen 2.947 N/A LEU 252.A N THR 248.A O no hydrogen 3.107 N/A LEU 252.A N PHE 249.A O no hydrogen 3.088 N/A ARG 253.A NH1 ARG 254.A O no hydrogen 3.003 N/A ARG 254.A NE LEU 256.A O no hydrogen 2.789 N/A THR 259.A OG1 THR 261.A O no hydrogen 3.222 N/A ARG 260.A N PRO 257.A O no hydrogen 2.848 N/A THR 261.A N THR 259.A OG1 no hydrogen 3.349 N/A THR 261.A OG1 LYS 262.A O no hydrogen 3.188 N/A LYS 267.A N ASP 264.A OD2 no hydrogen 3.308 N/A ILE 268.A N ASP 264.A O no hydrogen 3.181 N/A LEU 269.A N TRP 265.A O no hydrogen 3.091 N/A SER 270.A N LYS 267.A O no hydrogen 3.213 N/A SER 270.A OG LYS 267.A O no hydrogen 2.932 N/A