Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ay7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 GLU 31.A OE1 no hydrogen 3.240 N/A TYR 3.A N GLU 31.A OE1 no hydrogen 2.755 N/A LEU 6.A N TYR 3.A O no hydrogen 2.942 N/A LYS 7.A N THR 4.A O no hydrogen 3.267 N/A LYS 7.A NZ ASP 8.A OD2 no hydrogen 3.042 N/A ASP 8.A N GLU 32.A O no hydrogen 2.902 N/A LYS 9.A N LEU 6.A O no hydrogen 3.028 N/A LYS 9.A NZ ASP 5.A O no hydrogen 2.878 N/A VAL 10.A N ASP 88.A OD1 no hydrogen 2.892 N/A VAL 11.A N LYS 34.A O no hydrogen 2.796 N/A VAL 12.A N VAL 89.A O no hydrogen 2.935 N/A ILE 13.A N VAL 36.A O no hydrogen 2.959 N/A THR 14.A N ILE 91.A O no hydrogen 2.962 N/A THR 14.A OG1 ILE 91.A O no hydrogen 3.457 N/A GLY 15.A N ASN 38.A OD1 no hydrogen 3.037 N/A GLY 16.A N ASN 38.A O no hydrogen 2.888 N/A ARG 22.A N THR 18.A O no hydrogen 3.063 N/A ARG 22.A NE GLU 52.A OE1 no hydrogen 2.682 N/A ARG 22.A NH1 SER 17.A O no hydrogen 3.349 N/A ARG 22.A NH1 GLU 45.A OE1 no hydrogen 2.854 N/A ARG 22.A NH2 GLU 52.A OE1 no hydrogen 2.678 N/A ALA 23.A N GLY 19.A O no hydrogen 3.070 N/A MET 24.A N LEU 20.A O no hydrogen 2.923 N/A ALA 25.A N GLY 21.A O no hydrogen 3.025 N/A VAL 26.A N ARG 22.A O no hydrogen 2.992 N/A ARG 27.A N ALA 23.A O no hydrogen 3.046 N/A ARG 27.A NE GLU 31.A OE2 no hydrogen 2.796 N/A ARG 27.A NH2 GLU 31.A OE2 no hydrogen 2.984 N/A PHE 28.A N MET 24.A O no hydrogen 2.884 N/A GLY 29.A N ALA 25.A O no hydrogen 2.926 N/A GLN 30.A N VAL 26.A O no hydrogen 2.790 N/A GLU 31.A N ARG 27.A O no hydrogen 3.190 N/A GLU 31.A N PHE 28.A O no hydrogen 3.096 N/A GLU 32.A N GLY 29.A O no hydrogen 2.856 N/A ALA 33.A N PHE 28.A O no hydrogen 2.913 N/A LYS 34.A N LYS 9.A O no hydrogen 2.772 N/A LYS 34.A NZ GLN 59.A OE1 no hydrogen 3.521 N/A VAL 35.A N GLN 59.A O no hydrogen 2.815 N/A VAL 36.A N VAL 11.A O no hydrogen 2.739 N/A ILE 37.A N ILE 61.A O no hydrogen 2.825 N/A ASN 38.A N ILE 13.A O no hydrogen 3.005 N/A ASN 38.A ND2 VAL 63.A O no hydrogen 3.564 N/A ASN 38.A ND2 GLY 65.A O no hydrogen 3.149 N/A TYR 39.A N VAL 63.A O no hydrogen 3.202 N/A GLU 43.A N ASN 41.A O no hydrogen 3.051 N/A GLU 45.A N ASN 42.A OD1 no hydrogen 3.412 N/A ALA 46.A N ASN 42.A O no hydrogen 3.280 N/A LEU 47.A N GLU 43.A O no hydrogen 2.727 N/A ASP 48.A N GLU 44.A O no hydrogen 2.731 N/A ALA 49.A N GLU 45.A O no hydrogen 2.685 N/A LYS 50.A N ALA 46.A O no hydrogen 2.734 N/A LYS 50.A NZ GLU 54.A OE2 no hydrogen 2.797 N/A LYS 50.A NZ ALA 60.A O no hydrogen 2.905 N/A LYS 51.A N LEU 47.A O no hydrogen 3.154 N/A GLU 52.A N ASP 48.A O no hydrogen 3.258 N/A VAL 53.A N ALA 49.A O no hydrogen 3.163 N/A GLU 54.A N LYS 50.A O no hydrogen 3.314 N/A GLU 55.A N LYS 51.A O no hydrogen 2.656 N/A ALA 56.A N GLU 52.A O no hydrogen 2.754 N/A GLY 57.A N VAL 53.A O no hydrogen 3.076 N/A GLY 57.A N GLU 54.A O no hydrogen 3.159 N/A GLY 58.A N VAL 53.A O no hydrogen 2.915 N/A GLN 59.A N ALA 33.A O no hydrogen 3.205 N/A ILE 61.A N VAL 35.A O no hydrogen 3.083 N/A VAL 63.A N ILE 37.A O no hydrogen 2.755 N/A GLN 64.A NE2 TYR 40.A O no hydrogen 2.761 N/A GLY 65.A N TYR 39.A O no hydrogen 2.960 N/A ASP 66.A N ASP 72.A OD2 no hydrogen 2.786 N/A THR 68.A N ASP 66.A OD1 no hydrogen 2.888 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.628 N/A THR 68.A OG1 ASP 66.A OD2 no hydrogen 3.033 N/A LYS 69.A N ASP 66.A O no hydrogen 2.946 N/A LYS 69.A NZ ASP 66.A OD2 no hydrogen 3.470 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.656 N/A VAL 73.A N LYS 69.A O no hydrogen 3.238 N/A VAL 74.A N GLU 70.A O no hydrogen 2.923 N/A ASN 75.A N GLU 71.A O no hydrogen 2.739 N/A LEU 76.A N ASP 72.A O no hydrogen 2.821 N/A VAL 77.A N VAL 73.A O no hydrogen 3.215 N/A GLN 78.A N VAL 74.A O no hydrogen 3.014 N/A THR 79.A N ASN 75.A O no hydrogen 2.782 N/A THR 79.A OG1 ASN 75.A O no hydrogen 2.691 N/A ALA 80.A N LEU 76.A O no hydrogen 3.074 N/A ILE 81.A N VAL 77.A O no hydrogen 3.150 N/A LYS 82.A N GLN 78.A O no hydrogen 2.905 N/A GLU 83.A N THR 79.A O no hydrogen 2.821 N/A PHE 84.A N ALA 80.A O no hydrogen 2.993 N/A GLY 85.A N ILE 81.A O no hydrogen 2.675 N/A LEU 87.A N THR 86.A OG1 no hydrogen 2.735 N/A ASP 88.A N VAL 10.A O no hydrogen 3.000 N/A VAL 89.A N VAL 10.A O no hydrogen 3.034 N/A MET 90.A N ASN 140.A O no hydrogen 2.883 N/A ILE 91.A N VAL 12.A O no hydrogen 2.740 N/A ASN 92.A N ILE 142.A O no hydrogen 3.016 N/A ASN 92.A ND2 ASN 143.A OD1 no hydrogen 2.635 N/A ASN 93.A N THR 14.A OG1 no hydrogen 2.675 N/A ASN 93.A ND2 THR 14.A O no hydrogen 3.235 N/A ASN 93.A ND2 GLY 15.A O no hydrogen 3.145 N/A ALA 94.A N THR 14.A OG1 no hydrogen 3.050 N/A VAL 96.A N ASN 117.A OD1 no hydrogen 2.819 N/A ASN 98.A ND2 ASN 109.A OD1 no hydrogen 2.870 N/A VAL 100.A N LEU 155.A O no hydrogen 2.879 N/A GLU 104.A N PRO 101.A O no hydrogen 2.951 N/A LEU 105.A N SER 102.A O no hydrogen 3.165 N/A ASN 109.A N SER 106.A OG no hydrogen 2.996 N/A ASN 109.A ND2 ASN 98.A OD1 no hydrogen 2.922 N/A TRP 110.A N SER 106.A O no hydrogen 2.959 N/A ASN 111.A N LEU 107.A O no hydrogen 2.888 N/A LYS 112.A N ASP 108.A O no hydrogen 3.024 N/A VAL 113.A N ASN 109.A O no hydrogen 3.337 N/A ILE 114.A N TRP 110.A O no hydrogen 2.916 N/A ASP 115.A N ASN 111.A O no hydrogen 2.655 N/A THR 116.A N LYS 112.A O no hydrogen 3.045 N/A THR 116.A OG1 LYS 112.A O no hydrogen 2.702 N/A ASN 117.A N VAL 113.A O no hydrogen 2.881 N/A ASN 117.A ND2 VAL 96.A O no hydrogen 3.050 N/A ASN 117.A ND2 SER 162.A OG no hydrogen 3.409 N/A LEU 118.A N ILE 114.A O no hydrogen 2.863 N/A THR 119.A N ILE 114.A O no hydrogen 3.054 N/A GLY 120.A N ASP 115.A O no hydrogen 2.877 N/A PHE 122.A N LEU 118.A O no hydrogen 2.948 N/A LEU 123.A N THR 119.A O no hydrogen 2.798 N/A GLY 124.A N GLY 120.A O no hydrogen 2.950 N/A SER 125.A N ALA 121.A O no hydrogen 2.865 N/A SER 125.A OG ALA 121.A O no hydrogen 2.703 N/A ARG 126.A N PHE 122.A O no hydrogen 2.787 N/A ARG 126.A NE GLU 127.A OE2 no hydrogen 3.049 N/A ARG 126.A NH2 GLU 70.A OE1 no hydrogen 2.815 N/A ARG 126.A NH2 GLU 127.A OE2 no hydrogen 2.837 N/A GLU 127.A N LEU 123.A O no hydrogen 3.013 N/A ALA 128.A N GLY 124.A O no hydrogen 3.085 N/A ILE 129.A N SER 125.A O no hydrogen 2.858 N/A LYS 130.A N ARG 126.A O no hydrogen 2.878 N/A LYS 130.A NZ GLU 127.A OE1 no hydrogen 3.431 N/A LYS 130.A NZ GLU 127.A OE2 no hydrogen 3.014 N/A TYR 131.A N GLU 127.A O no hydrogen 3.273 N/A PHE 132.A N ALA 128.A O no hydrogen 2.947 N/A VAL 133.A N ILE 129.A O no hydrogen 2.770 N/A GLU 134.A N LYS 130.A O no hydrogen 2.958 N/A ASN 135.A N TYR 131.A O no hydrogen 2.992 N/A ASN 135.A ND2 TYR 131.A O no hydrogen 3.059 N/A ILE 137.A N PHE 132.A O no hydrogen 2.879 N/A ASN 140.A N ASP 88.A O no hydrogen 2.974 N/A ASN 140.A ND2 LEU 232.A O no hydrogen 3.110 N/A VAL 141.A N ARG 183.A O no hydrogen 2.830 N/A ILE 142.A N MET 90.A O no hydrogen 2.815 N/A ASN 143.A N ASN 185.A O no hydrogen 2.837 N/A ASN 143.A ND2 SER 125.A OG no hydrogen 3.369 N/A ASN 143.A ND2 THR 170.A OG1 no hydrogen 2.984 N/A MET 144.A N ASN 92.A O no hydrogen 2.938 N/A SER 145.A N ILE 187.A O no hydrogen 2.884 N/A SER 145.A OG GLU 149.A OE1 no hydrogen 2.623 N/A VAL 147.A N PRO 189.A O no hydrogen 3.235 N/A HIS 148.A N SER 146.A OG no hydrogen 2.922 N/A HIS 148.A ND1 ILE 151.A O no hydrogen 2.794 N/A GLU 149.A N SER 146.A O no hydrogen 2.986 N/A MET 150.A N VAL 147.A O no hydrogen 2.923 N/A ILE 151.A N VAL 147.A O no hydrogen 2.706 N/A PHE 156.A N TRP 153.A O no hydrogen 2.865 N/A TYR 159.A N HIS 158.A ND1 no hydrogen 2.822 N/A ALA 160.A N PHE 156.A O no hydrogen 2.848 N/A ALA 161.A N VAL 157.A O no hydrogen 2.895 N/A SER 162.A N HIS 158.A O no hydrogen 2.932 N/A SER 162.A OG TYR 159.A O no hydrogen 2.807 N/A LYS 163.A N TYR 159.A O no hydrogen 3.126 N/A LYS 163.A NZ MET 144.A O no hydrogen 2.680 N/A GLY 164.A N ALA 160.A O no hydrogen 2.866 N/A GLY 165.A N ALA 161.A O no hydrogen 2.786 N/A MET 166.A N SER 162.A O no hydrogen 2.917 N/A LYS 167.A N LYS 163.A O no hydrogen 2.921 N/A LEU 168.A N GLY 164.A O no hydrogen 3.499 N/A MET 169.A N GLY 165.A O no hydrogen 2.987 N/A THR 170.A N MET 166.A O no hydrogen 2.958 N/A THR 170.A OG1 MET 166.A O no hydrogen 3.279 N/A THR 170.A OG1 ASN 186.A OD1 no hydrogen 2.525 N/A GLU 171.A N LYS 167.A O no hydrogen 2.942 N/A THR 172.A N LEU 168.A O no hydrogen 2.897 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.752 N/A LEU 173.A N MET 169.A O no hydrogen 2.877 N/A ALA 174.A N THR 170.A O no hydrogen 2.877 N/A LEU 175.A N GLU 171.A O no hydrogen 3.047 N/A GLU 176.A N THR 172.A O no hydrogen 2.839 N/A TYR 177.A N LEU 173.A O no hydrogen 2.891 N/A ALA 178.A N ALA 174.A O no hydrogen 2.904 N/A LYS 180.A N TYR 177.A O no hydrogen 2.896 N/A GLY 181.A N ALA 178.A O no hydrogen 2.983 N/A ARG 183.A N GLY 139.A O no hydrogen 3.174 N/A ARG 183.A NH1 LEU 232.A O no hydrogen 2.830 N/A ARG 183.A NH2 LEU 232.A O no hydrogen 3.030 N/A ARG 183.A NH2 VAL 240.A O no hydrogen 3.046 N/A VAL 184.A N THR 241.A OG1 no hydrogen 3.068 N/A ASN 185.A N VAL 141.A O no hydrogen 2.966 N/A ASN 185.A ND2 VAL 240.A O no hydrogen 3.184 N/A ASN 186.A N ILE 243.A O no hydrogen 2.846 N/A ASN 186.A ND2 GLU 149.A OE1 no hydrogen 2.901 N/A ILE 187.A N ASN 143.A O no hydrogen 3.146 N/A GLY 188.A N LEU 245.A O no hydrogen 2.859 N/A GLY 190.A N ALA 247.A O no hydrogen 3.024 N/A ASN 193.A N GLY 220.A O no hydrogen 2.789 N/A THR 194.A N MET 192.A O no hydrogen 3.019 N/A ASN 197.A N THR 194.A O no hydrogen 2.599 N/A ASN 197.A ND2 MET 192.A O no hydrogen 2.821 N/A ALA 198.A N PRO 195.A O no hydrogen 3.002 N/A PHE 201.A N ASN 197.A O no hydrogen 3.039 N/A VAL 205.A N ASP 203.A OD1 no hydrogen 3.006 N/A GLN 206.A NE2 ASP 203.A OD2 no hydrogen 3.412 N/A ARG 207.A N ASP 203.A O no hydrogen 2.866 N/A ALA 208.A N PRO 204.A O no hydrogen 2.969 N/A ASP 209.A N VAL 205.A O no hydrogen 3.024 N/A VAL 210.A N GLN 206.A O no hydrogen 3.039 N/A GLU 211.A N ARG 207.A O no hydrogen 2.910 N/A SER 212.A N ALA 208.A O no hydrogen 2.864 N/A SER 212.A OG ASP 209.A O no hydrogen 2.561 N/A MET 213.A N VAL 210.A O no hydrogen 2.926 N/A ILE 214.A N GLU 211.A O no hydrogen 3.055 N/A MET 216.A N GLY 249.A O no hydrogen 2.927 N/A GLY 217.A N ILE 214.A O no hydrogen 2.869 N/A TYR 218.A OH GLU 224.A OE2 no hydrogen 2.572 N/A GLY 220.A N ALA 191.A O no hydrogen 2.986 N/A LYS 221.A N GLU 224.A OE1 no hydrogen 2.850 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.905 N/A GLU 224.A N LYS 221.A O no hydrogen 2.754 N/A VAL 225.A N PRO 222.A O no hydrogen 3.106 N/A ALA 226.A N PRO 222.A O no hydrogen 2.991 N/A ALA 227.A N GLU 223.A O no hydrogen 2.895 N/A ALA 229.A N VAL 225.A O no hydrogen 3.024 N/A ALA 230.A N ALA 226.A O no hydrogen 2.943 N/A PHE 231.A N ALA 227.A O no hydrogen 3.153 N/A LEU 232.A N VAL 228.A O no hydrogen 2.907 N/A ALA 233.A N ALA 229.A O no hydrogen 2.963 N/A SER 234.A N ALA 230.A O no hydrogen 3.113 N/A SER 234.A N PHE 231.A O no hydrogen 3.130 N/A SER 234.A OG PHE 231.A O no hydrogen 2.811 N/A SER 235.A N ASP 5.A OD2 no hydrogen 2.996 N/A GLN 236.A N SER 234.A OG no hydrogen 3.114 N/A ALA 237.A N SER 234.A O no hydrogen 3.137 N/A SER 238.A N SER 235.A O no hydrogen 3.197 N/A SER 238.A OG SER 235.A O no hydrogen 3.278 N/A VAL 240.A N ALA 237.A O no hydrogen 2.950 N/A THR 241.A OG1 VAL 184.A O no hydrogen 3.539 N/A GLY 242.A N VAL 184.A O no hydrogen 2.786 N/A ILE 243.A N ASN 185.A OD1 no hydrogen 3.032 N/A THR 244.A OG1 GLU 149.A OE1 no hydrogen 3.392 N/A THR 244.A OG1 GLU 149.A OE2 no hydrogen 2.616 N/A LEU 245.A N ASN 186.A O no hydrogen 2.950 N/A ALA 247.A N GLY 188.A O no hydrogen 3.015 N/A GLY 250.A N ASP 248.A OD2 no hydrogen 2.888 N/A MET 251.A N ASP 248.A O no hydrogen 3.133 N/A THR 252.A N ASP 248.A OD1 no hydrogen 2.895 N/A THR 252.A OG1 ASP 248.A OD1 no hydrogen 2.789 N/A LYS 253.A N GLY 250.A O no hydrogen 2.783 N/A TYR 254.A N MET 251.A O no hydrogen 3.415 N/A PHE 257.A N TYR 254.A O no hydrogen 3.075 N/A GLN 258.A N PRO 255.A O no hydrogen 3.238 N/A GLN 258.A NE2 SER 212.A O no hydrogen 3.621 N/A GLN 258.A NE2 PRO 255.A O no hydrogen 2.843 N/A