Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jf1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.024 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.562 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.821 N/A MET 5.A N CYS 101.A O no hydrogen 2.962 N/A ARG 6.A N TYR 27.A O no hydrogen 2.926 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.435 N/A ARG 6.A NH1 CYS 101.A O no hydrogen 3.341 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.908 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.854 N/A TYR 7.A N TYR 99.A O no hydrogen 2.859 N/A PHE 8.A N VAL 25.A O no hydrogen 2.940 N/A PHE 9.A N ARG 97.A O no hydrogen 2.818 N/A THR 10.A N ILE 23.A O no hydrogen 2.854 N/A SER 11.A N VAL 95.A O no hydrogen 2.845 N/A VAL 12.A N ARG 21.A O no hydrogen 2.971 N/A SER 13.A N HIS 93.A O no hydrogen 2.979 N/A SER 13.A OG HIS 93.A O no hydrogen 3.466 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.960 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.948 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.176 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.990 N/A ARG 17.A N ARG 14.A O no hydrogen 2.854 N/A ARG 21.A N VAL 12.A O no hydrogen 2.893 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.725 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.448 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.769 N/A PHE 22.A N SER 38.A OG no hydrogen 2.874 N/A ILE 23.A N THR 10.A O no hydrogen 2.869 N/A ALA 24.A N PHE 36.A O no hydrogen 2.881 N/A VAL 25.A N PHE 8.A O no hydrogen 2.937 N/A GLY 26.A N VAL 34.A O no hydrogen 3.021 N/A TYR 27.A N ARG 6.A O no hydrogen 2.854 N/A VAL 28.A N THR 31.A O no hydrogen 2.952 N/A ASP 29.A N SER 4.A O no hydrogen 2.828 N/A THR 31.A N VAL 28.A O no hydrogen 2.879 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.879 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.201 N/A PHE 33.A N GLY 26.A O no hydrogen 2.749 N/A ARG 35.A N GLU 46.A O no hydrogen 2.960 N/A ARG 35.A NH1 GLU 46.A OE2 no hydrogen 2.892 N/A PHE 36.A N ALA 24.A O no hydrogen 2.847 N/A SER 38.A N PHE 22.A O no hydrogen 2.888 N/A SER 38.A OG PHE 22.A O no hydrogen 3.452 N/A SER 38.A OG ASP 39.A OD1 no hydrogen 3.262 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.859 N/A ALA 40.A N ASP 37.A O no hydrogen 2.889 N/A SER 42.A OG ARG 44.A O no hydrogen 3.366 N/A SER 42.A OG GLU 46.A OE2 no hydrogen 3.068 N/A GLN 43.A NE2 SER 38.A O no hydrogen 2.864 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 2.848 N/A ARG 44.A N SER 42.A OG no hydrogen 3.056 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.495 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 3.062 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.957 N/A GLU 46.A N ARG 35.A O no hydrogen 2.846 N/A ARG 48.A N PHE 33.A O no hydrogen 2.784 N/A ARG 48.A NH1 GLU 46.A OE1 no hydrogen 3.563 N/A ARG 48.A NH1 PRO 47.A O no hydrogen 2.986 N/A ILE 52.A N ALA 49.A O no hydrogen 3.299 N/A GLU 53.A N PRO 50.A O no hydrogen 3.238 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 3.273 N/A GLU 55.A N ILE 52.A O no hydrogen 3.007 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.641 N/A TRP 60.A N GLY 56.A O no hydrogen 3.203 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.996 N/A ASP 61.A N PRO 57.A O no hydrogen 2.830 N/A GLY 62.A N GLU 58.A O no hydrogen 2.882 N/A GLU 63.A N TYR 59.A O no hydrogen 2.802 N/A THR 64.A N TRP 60.A O no hydrogen 2.934 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.853 N/A ARG 65.A N ASP 61.A O no hydrogen 2.885 N/A LYS 66.A N GLY 62.A O no hydrogen 2.933 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.852 N/A VAL 67.A N GLU 63.A O no hydrogen 2.854 N/A LYS 68.A N THR 64.A O no hydrogen 3.066 N/A ALA 69.A N ARG 65.A O no hydrogen 3.086 N/A HIS 70.A N LYS 66.A O no hydrogen 2.919 N/A HIS 70.A ND1 LYS 66.A O no hydrogen 2.747 N/A HIS 70.A NE2 TYR 99.A OH no hydrogen 2.694 N/A SER 71.A N VAL 67.A O no hydrogen 2.884 N/A GLN 72.A N LYS 68.A O no hydrogen 2.913 N/A THR 73.A N ALA 69.A O no hydrogen 3.004 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.181 N/A HIS 74.A N HIS 70.A O no hydrogen 2.981 N/A HIS 74.A ND1 HIS 70.A O no hydrogen 3.024 N/A ARG 75.A N SER 71.A O no hydrogen 2.923 N/A ARG 75.A NH1 GLU 19.A OE1 no hydrogen 2.682 N/A VAL 76.A N GLN 72.A O no hydrogen 3.178 N/A ASP 77.A N THR 73.A O no hydrogen 2.869 N/A LEU 78.A N HIS 74.A O no hydrogen 2.963 N/A THR 80.A N VAL 76.A O no hydrogen 2.972 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.265 N/A LEU 81.A N ASP 77.A O no hydrogen 2.804 N/A ARG 82.A N LEU 78.A O no hydrogen 3.098 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 2.949 N/A GLY 83.A N GLY 79.A O no hydrogen 3.057 N/A TYR 84.A N THR 80.A O no hydrogen 2.760 N/A TYR 85.A N LEU 81.A O no hydrogen 2.900 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.207 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.655 N/A ASN 86.A N GLY 83.A O no hydrogen 2.994 N/A GLN 87.A N ARG 82.A O no hydrogen 2.842 N/A ALA 90.A N SER 88.A OG no hydrogen 3.246 N/A SER 92.A OG SER 13.A O no hydrogen 2.728 N/A HIS 93.A N SER 13.A OG no hydrogen 2.771 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.736 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.897 N/A VAL 95.A N SER 11.A O no hydrogen 2.844 N/A GLN 96.A N ALA 117.A O no hydrogen 2.918 N/A ARG 97.A N PHE 9.A O no hydrogen 2.922 N/A MET 98.A N GLN 115.A O no hydrogen 2.913 N/A TYR 99.A N TYR 7.A O no hydrogen 3.102 N/A TYR 99.A OH HIS 70.A NE2 no hydrogen 2.694 N/A GLY 100.A N TYR 113.A O no hydrogen 3.104 N/A CYS 101.A N MET 5.A O no hydrogen 3.048 N/A ASP 102.A N ARG 111.A O no hydrogen 2.825 N/A VAL 103.A N HIS 3.A O no hydrogen 2.851 N/A GLY 104.A N ARG 108.A O no hydrogen 2.929 N/A TRP 107.A N GLY 104.A O no hydrogen 2.668 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.897 N/A LEU 110.A N ASP 102.A O no hydrogen 2.829 N/A ARG 111.A N ASP 102.A O no hydrogen 3.434 N/A ARG 111.A NE ASP 102.A OD2 no hydrogen 3.119 N/A ARG 111.A NH2 ASP 102.A OD2 no hydrogen 2.726 N/A TYR 113.A N GLY 100.A O no hydrogen 2.955 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.184 N/A GLN 115.A N MET 98.A O no hydrogen 2.809 N/A TYR 116.A N ILE 124.A O no hydrogen 2.896 N/A TYR 116.A OH ASP 77.A OD2 no hydrogen 2.673 N/A ALA 117.A N GLN 96.A O no hydrogen 2.822 N/A TYR 118.A N LYS 121.A O no hydrogen 3.023 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.569 N/A ASP 119.A N THR 94.A O no hydrogen 2.777 N/A LYS 121.A N TYR 118.A O no hydrogen 3.159 N/A TYR 123.A N TYR 116.A O no hydrogen 2.886 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.807 N/A ILE 124.A N TYR 116.A O no hydrogen 3.233 N/A ALA 125.A N THR 134.A O no hydrogen 3.056 N/A LEU 126.A N HIS 114.A O no hydrogen 2.914 N/A LYS 127.A N SER 132.A O no hydrogen 2.832 N/A LEU 130.A N LYS 127.A O no hydrogen 2.778 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.891 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.234 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.563 N/A THR 134.A N ALA 125.A O no hydrogen 2.860 N/A ALA 136.A N TYR 123.A O no hydrogen 2.912 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.854 N/A GLN 141.A N ASP 137.A O no hydrogen 3.115 N/A GLN 141.A N MET 138.A O no hydrogen 3.147 N/A THR 142.A N ALA 139.A O no hydrogen 3.007 N/A THR 142.A OG1 ALA 139.A O no hydrogen 3.497 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.807 N/A LYS 144.A N ALA 140.A O no hydrogen 2.902 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 2.743 N/A HIS 145.A N GLN 141.A O no hydrogen 2.898 N/A LYS 146.A N THR 142.A O no hydrogen 3.044 N/A TRP 147.A N THR 143.A O no hydrogen 2.740 N/A GLU 148.A N LYS 144.A O no hydrogen 2.902 N/A ALA 149.A N HIS 145.A O no hydrogen 2.987 N/A ALA 150.A N LYS 146.A O no hydrogen 3.057 N/A HIS 151.A N GLU 148.A O no hydrogen 3.089 N/A VAL 152.A N TRP 147.A O no hydrogen 3.047 N/A GLN 155.A N HIS 151.A O no hydrogen 3.458 N/A LEU 156.A N VAL 152.A O no hydrogen 2.952 N/A ARG 157.A N ALA 153.A O no hydrogen 2.745 N/A ALA 158.A N GLU 154.A O no hydrogen 3.041 N/A TYR 159.A N GLN 155.A O no hydrogen 3.192 N/A LEU 160.A N LEU 156.A O no hydrogen 2.685 N/A GLU 161.A N ARG 157.A O no hydrogen 2.903 N/A GLY 162.A N TYR 159.A O no hydrogen 3.293 N/A CYS 164.A N TYR 159.A O no hydrogen 2.823 N/A GLU 166.A N GLY 162.A O no hydrogen 2.850 N/A TRP 167.A N THR 163.A O no hydrogen 2.885 N/A LEU 168.A N CYS 164.A O no hydrogen 2.945 N/A ARG 169.A N VAL 165.A O no hydrogen 3.000 N/A ARG 169.A NE TRP 107.A O no hydrogen 2.758 N/A ARG 169.A NH2 TRP 107.A O no hydrogen 2.896 N/A ARG 170.A N GLU 166.A O no hydrogen 3.115 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.987 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.868 N/A TYR 171.A N TRP 167.A O no hydrogen 2.865 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.641 N/A LEU 172.A N LEU 168.A O no hydrogen 2.910 N/A GLU 173.A N ARG 169.A O no hydrogen 3.037 N/A ASN 174.A N ARG 170.A O no hydrogen 2.847 N/A GLY 175.A N TYR 171.A O no hydrogen 2.789 N/A LYS 176.A N GLU 173.A O no hydrogen 3.085 N/A THR 178.A N GLY 175.A O no hydrogen 3.093 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.433 N/A LEU 179.A N GLY 175.A O no hydrogen 2.795 N/A GLN 180.A N LYS 176.A O no hydrogen 2.992 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 2.761 N/A ARG 181.A NH1 THR 178.A O no hydrogen 2.653 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.063 N/A ARG 181.A NH2 GLY 237.A O no hydrogen 3.183 N/A ASP 183.A N TYR 209.A O no hydrogen 2.721 N/A LYS 186.A N LEU 206.A O no hydrogen 2.879 N/A HIS 188.A N TRP 204.A O no hydrogen 3.171 N/A THR 190.A N ARG 202.A O no hydrogen 2.919 N/A HIS 191.A NE2 GLU 252.A OE2 no hydrogen 2.934 N/A HIS 192.A N THR 200.A O no hydrogen 3.008 N/A VAL 194.A N GLU 198.A O no hydrogen 2.782 N/A SER 195.A N GLU 198.A O no hydrogen 3.240 N/A HIS 197.A N SER 195.A OG no hydrogen 3.142 N/A GLU 198.A N SER 195.A OG no hydrogen 3.252 N/A ALA 199.A N VAL 247.A O no hydrogen 2.898 N/A THR 200.A N HIS 192.A O no hydrogen 2.586 N/A LEU 201.A N VAL 245.A O no hydrogen 2.895 N/A ARG 202.A N THR 190.A O no hydrogen 2.987 N/A CYS 203.A N ALA 243.A O no hydrogen 2.734 N/A TRP 204.A N HIS 188.A O no hydrogen 2.824 N/A ALA 205.A N LYS 241.A O no hydrogen 2.882 N/A LEU 206.A N LYS 186.A O no hydrogen 2.959 N/A PHE 208.A N PHE 239.A O no hydrogen 3.169 N/A TYR 209.A N ASP 183.A O no hydrogen 2.994 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.879 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.838 N/A THR 214.A N GLN 260.A O no hydrogen 3.045 N/A THR 216.A N HIS 258.A O no hydrogen 2.784 N/A TRP 217.A NE1 ALA 243.A O no hydrogen 3.127 N/A GLN 218.A N THR 256.A O no hydrogen 2.848 N/A ARG 219.A N GLU 222.A O no hydrogen 2.877 N/A ASP 220.A N ARG 254.A O no hydrogen 2.738 N/A GLU 222.A N ARG 219.A O no hydrogen 3.113 N/A GLN 224.A N TRP 217.A O no hydrogen 2.748 N/A GLN 224.A NE2 GLU 222.A O no hydrogen 3.535 N/A GLN 224.A NE2 ASP 223.A O no hydrogen 3.399 N/A THR 226.A OG1 ALA 244.A O no hydrogen 3.531 N/A GLU 227.A N ALA 244.A O no hydrogen 2.741 N/A VAL 229.A N TRP 242.A O no hydrogen 3.247 N/A ARG 232.A N GLN 240.A O no hydrogen 2.901 N/A ARG 232.A NE GLN 240.A OE1 no hydrogen 2.938 N/A ARG 232.A NH2 GLN 240.A OE1 no hydrogen 3.075 N/A ALA 234.A N THR 238.A O no hydrogen 2.917 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.011 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.826 N/A PHE 239.A N PHE 208.A O no hydrogen 2.800 N/A GLN 240.A N ARG 232.A O no hydrogen 2.815 N/A LYS 241.A N ALA 205.A O no hydrogen 2.925 N/A LYS 241.A NZ VAL 229.A O no hydrogen 2.688 N/A LYS 241.A NZ THR 231.A OG1 no hydrogen 3.090 N/A ALA 243.A N CYS 203.A O no hydrogen 2.946 N/A ALA 244.A N GLU 227.A O no hydrogen 2.709 N/A VAL 245.A N LEU 201.A O no hydrogen 2.935 N/A VAL 247.A N ALA 199.A O no hydrogen 2.783 N/A SER 249.A N HIS 197.A O no hydrogen 2.876 N/A GLY 250.A N GLU 252.A OE1 no hydrogen 2.853 N/A GLN 251.A N PRO 248.A O no hydrogen 2.915 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.605 N/A GLN 253.A NE2 GLY 250.A O no hydrogen 3.089 N/A ARG 254.A N GLN 251.A O no hydrogen 2.769 N/A ARG 254.A NE ASP 220.A OD2 no hydrogen 2.775 N/A ARG 254.A NH2 ASP 220.A OD2 no hydrogen 3.148 N/A TYR 255.A N GLU 252.A O no hydrogen 3.037 N/A THR 256.A N GLN 218.A O no hydrogen 2.899 N/A THR 256.A OG1 HIS 258.A NE2 no hydrogen 2.614 N/A CYS 257.A N LEU 270.A O no hydrogen 2.945 N/A CYS 257.A SG THR 216.A O no hydrogen 3.962 N/A HIS 258.A N THR 216.A O no hydrogen 2.626 N/A HIS 258.A NE2 THR 256.A OG1 no hydrogen 2.614 N/A VAL 259.A N LEU 268.A O no hydrogen 3.020 N/A GLN 260.A N THR 214.A O no hydrogen 2.861 N/A HIS 261.A NE2 TYR 209.A O no hydrogen 3.162 N/A LEU 264.A N HIS 261.A O no hydrogen 2.770 N/A LEU 268.A N VAL 259.A O no hydrogen 2.930 N/A LEU 270.A N CYS 257.A O no hydrogen 2.806 N/A ARG 271.A NH2 GLN 253.A O no hydrogen 3.168 N/A