Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a6j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 7.A OE1 no hydrogen 2.449 N/A PHE 4.A N SER 2.A OG no hydrogen 2.988 N/A VAL 5.A N VAL 62.A O no hydrogen 2.892 N/A GLU 7.A N PHE 4.A O no hydrogen 2.911 N/A LEU 8.A N VAL 5.A O no hydrogen 2.983 N/A THR 9.A N GLU 12.A OE2 no hydrogen 3.002 N/A GLU 12.A N THR 9.A OG1 no hydrogen 3.085 N/A TYR 13.A N THR 9.A O no hydrogen 3.060 N/A TYR 13.A OH HIS 107.A ND1 no hydrogen 2.841 N/A GLU 14.A N TRP 10.A O no hydrogen 2.881 N/A ALA 15.A N LYS 11.A O no hydrogen 3.025 N/A ARG 16.A N GLU 12.A O no hydrogen 3.161 N/A VAL 17.A N TYR 13.A O no hydrogen 3.044 N/A ALA 18.A N GLU 14.A O no hydrogen 2.775 N/A ALA 19.A N ALA 15.A O no hydrogen 2.966 N/A GLY 20.A N VAL 17.A O no hydrogen 2.788 N/A CYS 22.A SG VAL 23.A O no hydrogen 4.039 N/A LEU 24.A N ARG 111.A O no hydrogen 2.967 N/A MET 25.A N LEU 61.A O no hydrogen 2.818 N/A LEU 26.A N VAL 113.A O no hydrogen 2.746 N/A VAL 28.A N MET 115.A O no hydrogen 2.868 N/A GLY 29.A N LEU 66.A O no hydrogen 2.964 N/A GLU 32.A N MET 40.A O no hydrogen 2.979 N/A GLN 33.A N THR 85.A OG1 no hydrogen 3.030 N/A GLN 33.A NE2 GLY 77.A O no hydrogen 2.948 N/A GLN 33.A NE2 GLY 223.A O no hydrogen 2.931 N/A HIS 34.A ND1 GLU 32.A O no hydrogen 2.702 N/A GLY 35.A N GLN 33.A OE1 no hydrogen 2.917 N/A HIS 37.A NE2 THR 182.A OG1 no hydrogen 2.924 N/A VAL 44.A N ASN 41.A O no hydrogen 2.923 N/A LEU 45.A N ASN 41.A O no hydrogen 3.007 N/A LEU 46.A N VAL 42.A O no hydrogen 2.989 N/A THR 48.A N VAL 44.A O no hydrogen 3.162 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.552 N/A ALA 49.A N LEU 45.A O no hydrogen 2.927 N/A VAL 50.A N LEU 46.A O no hydrogen 2.988 N/A CYS 51.A N PRO 47.A O no hydrogen 2.792 N/A CYS 51.A SG PRO 47.A O no hydrogen 3.366 N/A LYS 52.A N THR 48.A O no hydrogen 2.901 N/A ARG 53.A N ALA 49.A O no hydrogen 3.214 N/A ARG 53.A NH1 ALA 49.A O no hydrogen 3.016 N/A VAL 54.A N VAL 50.A O no hydrogen 2.924 N/A ALA 55.A N CYS 51.A O no hydrogen 2.771 N/A GLU 56.A N LYS 52.A O no hydrogen 2.969 N/A ARG 57.A N ARG 53.A O no hydrogen 3.215 N/A ARG 57.A NH1 GLU 241.A OE1 no hydrogen 2.784 N/A ARG 57.A NH1 GLU 241.A OE2 no hydrogen 3.293 N/A ARG 57.A NH2 GLU 241.A OE2 no hydrogen 3.339 N/A ILE 58.A N VAL 54.A O no hydrogen 2.964 N/A ALA 60.A N ALA 55.A O no hydrogen 3.053 N/A LEU 61.A N VAL 23.A O no hydrogen 2.977 N/A VAL 62.A N VAL 3.A O no hydrogen 2.611 N/A MET 63.A N MET 25.A O no hydrogen 2.802 N/A LEU 66.A N PRO 27.A O no hydrogen 2.965 N/A GLN 67.A NE2 GLY 65.A O no hydrogen 2.868 N/A TYR 70.A N ASN 121.A OD1 no hydrogen 2.794 N/A LYS 71.A NZ ASP 89.A OD1 no hydrogen 2.905 N/A SER 72.A N ASN 80.A OD1 no hydrogen 3.067 N/A SER 72.A OG GLU 32.A OE1 no hydrogen 2.765 N/A SER 72.A OG GLY 77.A O no hydrogen 3.048 N/A GLN 73.A N GLN 120.A OE1 no hydrogen 3.188 N/A GLN 74.A NE2 ASP 215.A O no hydrogen 2.763 N/A GLN 74.A NE2 THR 219.A OG1 no hydrogen 2.789 N/A LYS 75.A NZ PRO 207.A O no hydrogen 2.852 N/A LYS 75.A NZ TYR 209.A O no hydrogen 3.044 N/A SER 76.A N GLN 73.A O no hydrogen 3.030 N/A SER 76.A OG GLN 120.A OE1 no hydrogen 2.692 N/A GLY 77.A N GLN 74.A O no hydrogen 3.398 N/A GLY 78.A N GLN 74.A O no hydrogen 2.951 N/A THR 86.A N LEU 31.A O no hydrogen 3.018 N/A THR 86.A OG1 GLY 84.A O no hydrogen 2.814 N/A SER 87.A OG ASN 80.A OD1 no hydrogen 2.552 N/A LEU 88.A N GLY 69.A O no hydrogen 2.810 N/A LEU 93.A N ASP 89.A O no hydrogen 3.288 N/A THR 94.A N GLY 90.A O no hydrogen 2.947 N/A THR 94.A OG1 GLY 90.A O no hydrogen 3.133 N/A THR 94.A OG1 PHE 124.A O no hydrogen 3.068 N/A GLY 95.A N ALA 91.A O no hydrogen 2.898 N/A THR 96.A N THR 92.A O no hydrogen 3.015 N/A THR 96.A OG1 THR 92.A O no hydrogen 2.820 N/A VAL 97.A N LEU 93.A O no hydrogen 3.096 N/A GLN 98.A N THR 94.A O no hydrogen 2.961 N/A ASP 99.A N GLY 95.A O no hydrogen 2.907 N/A ILE 100.A N THR 96.A O no hydrogen 3.122 N/A ILE 101.A N VAL 97.A O no hydrogen 3.049 N/A ARG 102.A N GLN 98.A O no hydrogen 3.042 N/A ARG 102.A NE GLU 135.A OE1 no hydrogen 3.032 N/A ARG 102.A NH1 GLU 135.A OE1 no hydrogen 2.815 N/A ARG 102.A NH1 GLU 135.A OE2 no hydrogen 3.355 N/A ARG 102.A NH2 ASP 99.A OD1 no hydrogen 2.786 N/A GLU 103.A N ASP 99.A O no hydrogen 2.994 N/A LEU 104.A N ILE 100.A O no hydrogen 2.848 N/A ALA 105.A N ILE 101.A O no hydrogen 2.903 N/A ARG 106.A N ARG 102.A O no hydrogen 3.069 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 2.836 N/A ARG 106.A NH2 GLU 103.A OE1 no hydrogen 2.921 N/A ARG 106.A NH2 GLU 103.A OE2 no hydrogen 3.550 N/A HIS 107.A N GLU 103.A O no hydrogen 3.028 N/A HIS 107.A ND1 TYR 13.A OH no hydrogen 2.841 N/A GLY 108.A N LEU 104.A O no hydrogen 3.238 N/A GLY 108.A N ALA 105.A O no hydrogen 2.935 N/A ALA 109.A N LEU 104.A O no hydrogen 3.060 N/A ARG 110.A NE ASP 143.A OD1 no hydrogen 2.958 N/A ARG 110.A NH1 ALA 105.A O no hydrogen 3.002 N/A ARG 110.A NH1 ALA 109.A O no hydrogen 2.836 N/A ARG 111.A NH1 ASP 21.A O no hydrogen 3.072 N/A ARG 111.A NH1 PRO 256.A O no hydrogen 3.153 N/A ARG 111.A NH2 PRO 256.A O no hydrogen 2.791 N/A LEU 112.A N LYS 145.A O no hydrogen 3.124 N/A VAL 113.A N LEU 24.A O no hydrogen 2.762 N/A LEU 114.A N VAL 147.A O no hydrogen 2.834 N/A MET 115.A N LEU 26.A O no hydrogen 2.881 N/A ASN 116.A N LEU 149.A O no hydrogen 2.750 N/A ASN 116.A ND2 VAL 28.A O no hydrogen 3.225 N/A ASN 116.A ND2 HIS 118.A O no hydrogen 3.065 N/A GLY 117.A N VAL 28.A O no hydrogen 2.839 N/A HIS 118.A ND1 ASP 43.A OD2 no hydrogen 3.093 N/A HIS 118.A NE2 TYR 70.A O no hydrogen 2.905 N/A ASN 121.A N HIS 118.A O no hydrogen 3.126 N/A ASN 121.A ND2 VAL 28.A O no hydrogen 3.521 N/A ASN 121.A ND2 GLY 29.A O no hydrogen 2.960 N/A SER 122.A OG ASN 116.A OD1 no hydrogen 3.508 N/A PHE 124.A N ASN 121.A O no hydrogen 2.979 N/A ILE 125.A N ASN 121.A O no hydrogen 3.065 N/A VAL 126.A N SER 122.A O no hydrogen 2.947 N/A GLU 127.A N MET 123.A O no hydrogen 3.028 N/A GLY 128.A N PHE 124.A O no hydrogen 2.997 N/A ILE 129.A N ILE 125.A O no hydrogen 2.880 N/A ASP 130.A N VAL 126.A O no hydrogen 3.001 N/A LEU 131.A N GLU 127.A O no hydrogen 2.964 N/A ALA 132.A N GLY 128.A O no hydrogen 3.054 N/A LEU 133.A N ILE 129.A O no hydrogen 2.918 N/A ARG 134.A N ASP 130.A O no hydrogen 2.916 N/A GLU 135.A N LEU 131.A O no hydrogen 3.176 N/A LEU 136.A N ALA 132.A O no hydrogen 2.952 N/A ARG 137.A N LEU 133.A O no hydrogen 2.950 N/A TYR 138.A N ARG 134.A O no hydrogen 3.203 N/A ALA 139.A N GLU 135.A O no hydrogen 3.233 N/A ALA 139.A N LEU 136.A O no hydrogen 3.027 N/A GLY 140.A N ARG 137.A O no hydrogen 2.882 N/A ILE 141.A N LEU 136.A O no hydrogen 2.809 N/A LYS 145.A N ARG 110.A O no hydrogen 2.881 N/A LYS 145.A NZ GLU 254.A O no hydrogen 2.969 N/A LYS 145.A NZ GLU 254.A OE2 no hydrogen 2.744 N/A VAL 147.A N LEU 112.A O no hydrogen 2.867 N/A LEU 149.A N LEU 114.A O no hydrogen 3.101 N/A SER 150.A OG ASN 116.A OD1 no hydrogen 3.078 N/A TYR 151.A N ASN 116.A O no hydrogen 3.418 N/A ASP 153.A N SER 150.A O no hydrogen 3.003 N/A PHE 154.A N TYR 151.A O no hydrogen 3.201 N/A VAL 155.A N TRP 152.A O no hydrogen 2.976 N/A ALA 159.A N ASP 157.A OD1 no hydrogen 3.007 N/A ILE 161.A N ASP 157.A O no hydrogen 3.011 N/A GLN 162.A N PRO 158.A O no hydrogen 2.977 N/A GLN 163.A N ALA 159.A O no hydrogen 3.122 N/A LEU 164.A N VAL 160.A O no hydrogen 3.086 N/A TYR 165.A N ILE 161.A O no hydrogen 2.676 N/A GLY 168.A N TYR 165.A O no hydrogen 2.894 N/A GLU 175.A N TRP 172.A O no hydrogen 3.319 N/A HIS 176.A NE2 GLN 33.A O no hydrogen 2.846 N/A GLY 177.A N GLU 181.A OE2 no hydrogen 2.906 N/A GLY 178.A N GLU 175.A O no hydrogen 2.728 N/A PHE 180.A N GLU 175.A OE2 no hydrogen 2.814 N/A THR 182.A N GLY 178.A O no hydrogen 3.014 N/A THR 182.A OG1 HIS 37.A NE2 no hydrogen 2.924 N/A THR 182.A OG1 GLY 177.A O no hydrogen 3.422 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.657 N/A SER 183.A N VAL 179.A O no hydrogen 2.963 N/A SER 183.A OG VAL 179.A O no hydrogen 2.794 N/A SER 183.A OG SER 232.A O no hydrogen 3.409 N/A LEU 184.A N PHE 180.A O no hydrogen 3.196 N/A MET 185.A N GLU 181.A O no hydrogen 2.907 N/A LEU 186.A N THR 182.A O no hydrogen 2.850 N/A ALA 187.A N SER 183.A O no hydrogen 3.064 N/A ALA 187.A N LEU 184.A O no hydrogen 3.134 N/A LEU 188.A N LEU 184.A O no hydrogen 2.889 N/A TYR 189.A N MET 185.A O no hydrogen 2.617 N/A LEU 192.A N TYR 189.A O no hydrogen 2.983 N/A VAL 193.A N PRO 190.A O no hydrogen 3.163 N/A ASP 194.A N HIS 37.A O no hydrogen 2.906 N/A ASP 196.A N ASP 194.A OD1 no hydrogen 3.359 N/A ARG 197.A N ASP 194.A O no hydrogen 2.771 N/A VAL 198.A N LEU 195.A O no hydrogen 3.129 N/A HIS 201.A N VAL 199.A O no hydrogen 2.851 N/A HIS 201.A ND1 PRO 202.A O no hydrogen 2.783 N/A HIS 201.A NE2 THR 224.A OG1 no hydrogen 2.621 N/A ALA 204.A N LEU 225.A O no hydrogen 2.860 N/A TYR 209.A N PRO 207.A O no hydrogen 2.754 N/A ALA 217.A N ASP 215.A OD2 no hydrogen 3.044 N/A ARG 218.A N ASP 215.A O no hydrogen 3.063 N/A ARG 218.A NE ASP 215.A OD1 no hydrogen 3.142 N/A THR 219.A N PRO 216.A O no hydrogen 3.304 N/A THR 219.A OG1 GLY 78.A O no hydrogen 2.713 N/A GLY 223.A N PRO 220.A O no hydrogen 2.901 N/A THR 224.A OG1 HIS 201.A NE2 no hydrogen 2.621 N/A LEU 225.A N HIS 176.A O no hydrogen 3.155 N/A SER 226.A OG ILE 174.A O no hydrogen 3.052 N/A SER 227.A OG ASP 200.A OD1 no hydrogen 2.623 N/A LYS 229.A N SER 227.A OG no hydrogen 3.111 N/A ALA 231.A N ALA 228.A O no hydrogen 2.963 N/A SER 232.A N SER 183.A OG no hydrogen 3.089 N/A LYS 235.A N SER 232.A OG no hydrogen 3.087 N/A LYS 235.A NZ THR 230.A O no hydrogen 2.891 N/A GLY 236.A N SER 232.A O no hydrogen 3.010 N/A GLU 237.A N ARG 233.A O no hydrogen 2.855 N/A LEU 238.A N GLU 234.A O no hydrogen 3.113 N/A ILE 239.A N LYS 235.A O no hydrogen 2.903 N/A LEU 240.A N GLY 236.A O no hydrogen 2.886 N/A GLU 241.A N GLU 237.A O no hydrogen 3.071 N/A VAL 242.A N LEU 238.A O no hydrogen 3.022 N/A CYS 243.A N ILE 239.A O no hydrogen 2.917 N/A CYS 243.A SG TYR 151.A O no hydrogen 3.574 N/A CYS 243.A SG ILE 239.A O no hydrogen 3.354 N/A VAL 244.A N LEU 240.A O no hydrogen 2.869 N/A GLN 245.A N GLU 241.A O no hydrogen 2.851 N/A GLN 245.A NE2 GLN 245.A O no hydrogen 3.601 N/A GLN 245.A NE2 ASP 249.A OD1 no hydrogen 3.164 N/A GLN 245.A NE2 ASP 249.A OD2 no hydrogen 3.333 N/A GLY 246.A N VAL 242.A O no hydrogen 2.954 N/A ILE 247.A N CYS 243.A O no hydrogen 2.848 N/A ALA 248.A N VAL 244.A O no hydrogen 2.916 N/A ASP 249.A N GLN 245.A O no hydrogen 2.996 N/A ALA 250.A N GLY 246.A O no hydrogen 3.036 N/A ILE 251.A N ILE 247.A O no hydrogen 2.895 N/A ARG 252.A N ALA 248.A O no hydrogen 3.033 N/A ARG 252.A NH1 ASP 249.A OD1 no hydrogen 3.254 N/A GLU 253.A N ASP 249.A O no hydrogen 2.987 N/A GLU 254.A N ALA 250.A O no hydrogen 2.899 N/A PHE 255.A N ILE 251.A O no hydrogen 2.647 N/A