Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pjf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 LEU 176.A O no hydrogen 2.821 N/A ARG 1.A NH1 ARG 178.A O no hydrogen 2.932 N/A ARG 1.A NH2 ARG 178.A O no hydrogen 3.035 N/A HIS 3.A N LEU 100.A O no hydrogen 3.045 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.784 N/A HIS 3.A NE2 GLN 177.A OE1 no hydrogen 3.043 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.850 N/A LEU 5.A N CYS 98.A O no hydrogen 2.993 N/A ARG 6.A N TYR 27.A O no hydrogen 2.963 N/A TYR 7.A N ILE 96.A O no hydrogen 2.826 N/A PHE 8.A N VAL 25.A O no hydrogen 2.846 N/A ARG 9.A N ARG 94.A O no hydrogen 2.853 N/A LEU 10.A N ILE 23.A O no hydrogen 2.782 N/A GLY 11.A N TYR 92.A O no hydrogen 2.795 N/A VAL 12.A N GLU 21.A O no hydrogen 2.809 N/A SER 13.A N HIS 90.A O no hydrogen 2.983 N/A SER 13.A OG GLN 81.A OE1 no hydrogen 2.689 N/A SER 13.A OG GLY 88.A O no hydrogen 3.389 N/A SER 13.A OG HIS 90.A O no hydrogen 3.315 N/A VAL 19.A N ILE 16.A O no hydrogen 2.990 N/A PHE 22.A N SER 38.A OG no hydrogen 3.193 N/A ILE 23.A N LEU 10.A O no hydrogen 2.874 N/A SER 24.A N TYR 36.A O no hydrogen 2.686 N/A SER 24.A OG PHE 8.A O no hydrogen 2.864 N/A VAL 25.A N PHE 8.A O no hydrogen 3.138 N/A GLY 26.A N THR 34.A O no hydrogen 3.106 N/A TYR 27.A N ARG 6.A O no hydrogen 2.779 N/A VAL 28.A N HIS 31.A O no hydrogen 2.903 N/A ASP 29.A N SER 4.A O no hydrogen 2.798 N/A SER 30.A OG TYR 238.A OH no hydrogen 3.213 N/A HIS 31.A N VAL 28.A O no hydrogen 2.994 N/A HIS 31.A NE2 TYR 206.A OH no hydrogen 2.835 N/A ILE 33.A N GLY 26.A O no hydrogen 2.797 N/A THR 35.A N GLU 44.A O no hydrogen 2.822 N/A TYR 36.A N SER 24.A O no hydrogen 2.789 N/A TYR 36.A OH GLN 70.A OE1 no hydrogen 2.636 N/A SER 38.A N PHE 22.A O no hydrogen 2.957 N/A SER 38.A OG PHE 22.A O no hydrogen 3.521 N/A VAL 39.A N ASP 37.A OD1 no hydrogen 2.862 N/A THR 40.A N ASP 37.A OD1 no hydrogen 2.802 N/A THR 40.A OG1 GLN 42.A O no hydrogen 3.333 N/A ARG 41.A N ASP 37.A O no hydrogen 2.891 N/A GLN 42.A N THR 40.A OG1 no hydrogen 3.342 N/A LYS 43.A N THR 63.A OG1 no hydrogen 2.824 N/A GLU 44.A N THR 35.A O no hydrogen 2.895 N/A ARG 46.A N ILE 33.A O no hydrogen 2.663 N/A ARG 46.A NE PRO 45.A O no hydrogen 3.252 N/A MET 50.A N ALA 47.A O no hydrogen 3.058 N/A ALA 51.A N ALA 47.A O no hydrogen 3.332 N/A GLU 52.A N PRO 48.A O no hydrogen 3.000 N/A ASN 53.A N MET 50.A O no hydrogen 3.394 N/A ASN 53.A ND2 TRP 49.A O no hydrogen 2.787 N/A LEU 54.A N MET 50.A O no hydrogen 3.072 N/A HIS 58.A N ALA 55.A O no hydrogen 3.025 N/A GLU 60.A N PRO 56.A O no hydrogen 2.954 N/A ARG 61.A N ASP 57.A O no hydrogen 3.078 N/A TYR 62.A N HIS 58.A O no hydrogen 3.026 N/A THR 63.A N TRP 59.A O no hydrogen 3.025 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.612 N/A GLN 64.A N GLU 60.A O no hydrogen 3.398 N/A LEU 65.A N ARG 61.A O no hydrogen 3.257 N/A LEU 66.A N TYR 62.A O no hydrogen 2.982 N/A ARG 67.A N THR 63.A O no hydrogen 3.107 N/A ARG 67.A NE ARG 41.A O no hydrogen 2.791 N/A ARG 67.A NH2 ARG 41.A O no hydrogen 2.983 N/A GLY 68.A N GLN 64.A O no hydrogen 3.171 N/A TRP 69.A N LEU 65.A O no hydrogen 2.918 N/A GLN 70.A N LEU 66.A O no hydrogen 2.886 N/A GLN 71.A N ARG 67.A O no hydrogen 3.271 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 3.287 N/A MET 72.A N GLY 68.A O no hydrogen 3.206 N/A PHE 73.A N TRP 69.A O no hydrogen 2.997 N/A LYS 74.A N GLN 70.A O no hydrogen 3.286 N/A LYS 74.A NZ GLU 21.A OE2 no hydrogen 2.804 N/A VAL 75.A N GLN 71.A O no hydrogen 3.317 N/A GLU 76.A N MET 72.A O no hydrogen 2.967 N/A LEU 77.A N PHE 73.A O no hydrogen 2.989 N/A LYS 78.A N LYS 74.A O no hydrogen 3.167 N/A ARG 79.A N VAL 75.A O no hydrogen 3.024 N/A LEU 80.A N GLU 76.A O no hydrogen 2.946 N/A GLN 81.A N LEU 77.A O no hydrogen 2.926 N/A GLN 81.A NE2 HIS 86.A O no hydrogen 3.219 N/A GLN 81.A NE2 GLY 88.A O no hydrogen 3.292 N/A ARG 82.A N LYS 78.A O no hydrogen 3.053 N/A HIS 83.A N ARG 79.A O no hydrogen 2.967 N/A TYR 84.A N LEU 80.A O no hydrogen 2.908 N/A TYR 84.A OH ASP 133.A OD1 no hydrogen 3.254 N/A TYR 84.A OH ASP 133.A OD2 no hydrogen 2.569 N/A ASN 85.A N ARG 82.A O no hydrogen 3.287 N/A HIS 86.A N GLN 81.A O no hydrogen 2.959 N/A HIS 86.A ND1 TYR 114.A OH no hydrogen 2.632 N/A SER 89.A OG SER 13.A O no hydrogen 2.652 N/A HIS 90.A N SER 13.A OG no hydrogen 2.876 N/A HIS 90.A ND1 ASP 115.A OD2 no hydrogen 2.757 N/A HIS 90.A NE2 SER 87.A O no hydrogen 2.946 N/A THR 91.A N ASP 115.A OD1 no hydrogen 3.071 N/A TYR 92.A N GLY 11.A O no hydrogen 2.967 N/A TYR 92.A OH GLU 76.A OE2 no hydrogen 2.920 N/A GLN 93.A N ALA 113.A O no hydrogen 2.835 N/A ARG 94.A N ARG 9.A O no hydrogen 3.053 N/A ARG 94.A NE TYR 112.A OH no hydrogen 3.082 N/A MET 95.A N GLN 111.A O no hydrogen 2.943 N/A ILE 96.A N TYR 7.A O no hydrogen 2.867 N/A GLY 97.A N PHE 109.A O no hydrogen 3.009 N/A CYS 98.A N LEU 5.A O no hydrogen 2.973 N/A GLU 99.A N THR 107.A O no hydrogen 2.975 N/A LEU 100.A N HIS 3.A O no hydrogen 2.910 N/A LEU 101.A N SER 105.A O no hydrogen 2.955 N/A GLY 104.A N LEU 101.A O no hydrogen 3.048 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.673 N/A THR 107.A N GLU 99.A O no hydrogen 3.008 N/A THR 107.A OG1 GLU 99.A OE1 no hydrogen 3.221 N/A PHE 109.A N GLY 97.A O no hydrogen 2.988 N/A GLN 111.A N MET 95.A O no hydrogen 2.969 N/A TYR 112.A N LEU 120.A O no hydrogen 2.890 N/A ALA 113.A N GLN 93.A O no hydrogen 2.955 N/A TYR 114.A N GLN 117.A O no hydrogen 2.976 N/A TYR 114.A OH HIS 86.A ND1 no hydrogen 2.632 N/A ASP 115.A N THR 91.A O no hydrogen 2.939 N/A GLN 117.A N TYR 114.A O no hydrogen 3.051 N/A PHE 119.A N TYR 112.A O no hydrogen 2.854 N/A LEU 120.A N TYR 112.A O no hydrogen 3.390 N/A ILE 121.A N LEU 130.A O no hydrogen 3.047 N/A PHE 122.A N LEU 110.A O no hydrogen 2.889 N/A ASN 123.A N SER 128.A O no hydrogen 2.778 N/A LYS 124.A NZ GLU 158.A OE2 no hydrogen 2.999 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 2.924 N/A THR 126.A N ASN 123.A OD1 no hydrogen 2.981 N/A THR 126.A OG1 SER 128.A OG no hydrogen 2.853 N/A SER 128.A N ASN 123.A O no hydrogen 3.096 N/A SER 128.A OG THR 126.A OG1 no hydrogen 2.853 N/A TRP 129.A N GLU 144.A OE2 no hydrogen 2.811 N/A LEU 130.A N ILE 121.A O no hydrogen 2.783 N/A VAL 132.A N PHE 119.A O no hydrogen 3.485 N/A ALA 136.A N ASP 133.A OD1 no hydrogen 3.067 N/A HIS 137.A N ASP 133.A O no hydrogen 2.994 N/A THR 138.A N ASN 134.A O no hydrogen 3.345 N/A THR 138.A OG1 ASN 134.A O no hydrogen 3.160 N/A ILE 139.A N VAL 135.A O no hydrogen 3.461 N/A LYS 140.A N ALA 136.A O no hydrogen 2.834 N/A LYS 140.A NZ TRP 129.A O no hydrogen 2.814 N/A LYS 140.A NZ GLU 144.A OE1 no hydrogen 3.498 N/A LYS 140.A NZ GLU 144.A OE2 no hydrogen 2.799 N/A GLN 141.A N HIS 137.A O no hydrogen 2.916 N/A ALA 142.A N THR 138.A O no hydrogen 3.243 N/A TRP 143.A N ILE 139.A O no hydrogen 2.861 N/A GLU 144.A N LYS 140.A O no hydrogen 2.876 N/A ALA 145.A N ALA 142.A O no hydrogen 3.327 N/A ASN 146.A N TRP 143.A O no hydrogen 3.145 N/A LEU 150.A N ASN 146.A O no hydrogen 3.379 N/A LEU 151.A N GLN 147.A O no hydrogen 3.175 N/A TYR 152.A N HIS 148.A O no hydrogen 2.949 N/A GLN 153.A N GLU 149.A O no hydrogen 2.901 N/A LYS 154.A N LEU 150.A O no hydrogen 3.023 N/A LYS 154.A NZ LYS 124.A O no hydrogen 2.682 N/A LYS 154.A NZ GLU 158.A OE2 no hydrogen 2.748 N/A ASN 155.A N LEU 151.A O no hydrogen 2.979 N/A TRP 156.A N TYR 152.A O no hydrogen 2.947 N/A LEU 157.A N GLN 153.A O no hydrogen 3.054 N/A GLU 158.A N LYS 154.A O no hydrogen 3.019 N/A GLU 159.A N ASN 155.A O no hydrogen 2.872 N/A GLU 160.A N ASN 155.A O no hydrogen 3.442 N/A CYS 161.A N TRP 156.A O no hydrogen 2.757 N/A ALA 163.A N GLU 159.A O no hydrogen 3.090 N/A TRP 164.A N GLU 160.A O no hydrogen 2.940 N/A LEU 165.A N CYS 161.A O no hydrogen 2.861 N/A LYS 166.A N ILE 162.A O no hydrogen 3.029 N/A ARG 167.A N ALA 163.A O no hydrogen 3.120 N/A ARG 167.A NE TYR 171.A OH no hydrogen 2.746 N/A PHE 168.A N TRP 164.A O no hydrogen 2.853 N/A LEU 169.A N LEU 165.A O no hydrogen 2.798 N/A GLU 170.A N LYS 166.A O no hydrogen 3.171 N/A TYR 171.A N ARG 167.A O no hydrogen 3.170 N/A GLY 172.A N PHE 168.A O no hydrogen 2.993 N/A LYS 173.A N GLU 170.A O no hydrogen 3.451 N/A LYS 173.A NZ GLU 170.A OE1 no hydrogen 2.775 N/A THR 175.A N GLY 172.A O no hydrogen 2.895 N/A LEU 176.A N GLY 172.A O no hydrogen 2.808 N/A GLN 177.A N LYS 173.A O no hydrogen 2.838 N/A ARG 178.A NE GLU 180.A OE2 no hydrogen 2.826 N/A ARG 178.A NH1 THR 175.A O no hydrogen 2.944 N/A ARG 178.A NH2 GLU 180.A OE2 no hydrogen 2.886 N/A ARG 178.A NH2 GLY 236.A O no hydrogen 2.956 N/A GLU 180.A N TYR 206.A O no hydrogen 2.713 N/A LEU 183.A N HIS 203.A O no hydrogen 2.911 N/A ARG 185.A N LYS 201.A O no hydrogen 2.862 N/A ASN 187.A N PHE 199.A O no hydrogen 2.783 N/A LYS 189.A N ALA 197.A O no hydrogen 3.094 N/A THR 191.A N VAL 195.A O no hydrogen 2.688 N/A THR 191.A OG1 VAL 195.A O no hydrogen 3.092 N/A PHE 192.A N THR 191.A OG1 no hydrogen 2.704 N/A GLY 194.A N GLU 190.A OE2 no hydrogen 3.002 N/A VAL 195.A N PHE 192.A O no hydrogen 2.892 N/A ALA 197.A N LYS 189.A O no hydrogen 2.796 N/A LEU 198.A N ILE 244.A O no hydrogen 2.756 N/A PHE 199.A N ASN 187.A O no hydrogen 2.891 N/A CYS 200.A N ALA 242.A O no hydrogen 2.863 N/A LYS 201.A N ARG 185.A O no hydrogen 2.815 N/A ALA 202.A N ALA 240.A O no hydrogen 2.835 N/A HIS 203.A N LEU 183.A O no hydrogen 3.153 N/A PHE 205.A N TYR 238.A O no hydrogen 3.314 N/A TYR 206.A N GLU 180.A O no hydrogen 2.932 N/A TYR 206.A OH HIS 31.A NE2 no hydrogen 2.835 N/A TYR 211.A N GLU 253.A O no hydrogen 2.952 N/A THR 213.A N HIS 251.A O no hydrogen 2.852 N/A TRP 214.A NE1 ALA 242.A O no hydrogen 3.011 N/A MET 215.A N SER 249.A O no hydrogen 2.886 N/A LYS 216.A N GLU 219.A O no hydrogen 2.972 N/A ASN 217.A N LEU 247.A O no hydrogen 3.006 N/A GLU 219.A N LYS 216.A O no hydrogen 3.150 N/A ASP 226.A N SER 243.A O no hydrogen 2.800 N/A GLY 228.A N TRP 241.A O no hydrogen 2.775 N/A LEU 231.A N GLN 239.A O no hydrogen 2.864 N/A SER 233.A N THR 237.A O no hydrogen 2.749 N/A SER 233.A OG THR 237.A O no hydrogen 3.542 N/A SER 233.A OG GLN 239.A OE1 no hydrogen 2.928 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.152 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.577 N/A THR 237.A OG1 ASP 235.A OD2 no hydrogen 3.439 N/A TYR 238.A N PHE 205.A O no hydrogen 2.896 N/A TYR 238.A OH SER 30.A OG no hydrogen 3.213 N/A GLN 239.A N LEU 231.A O no hydrogen 3.022 N/A ALA 240.A N ALA 202.A O no hydrogen 2.967 N/A ALA 242.A N CYS 200.A O no hydrogen 3.041 N/A SER 243.A N ASP 226.A O no hydrogen 2.754 N/A ILE 244.A N LEU 198.A O no hydrogen 3.016 N/A LEU 246.A N THR 196.A O no hydrogen 2.903 N/A SER 249.A N MET 215.A O no hydrogen 2.965 N/A SER 249.A OG HIS 251.A NE2 no hydrogen 3.356 N/A CYS 250.A N LEU 261.A O no hydrogen 2.790 N/A CYS 250.A SG THR 213.A O no hydrogen 3.848 N/A CYS 250.A SG HIS 251.A O no hydrogen 4.032 N/A HIS 251.A N THR 213.A O no hydrogen 2.758 N/A HIS 251.A ND1 HIS 258.A NE2 no hydrogen 2.773 N/A VAL 252.A N MET 259.A O no hydrogen 2.891 N/A GLU 253.A N TYR 211.A O no hydrogen 2.809 N/A HIS 254.A N VAL 257.A O no hydrogen 3.018 N/A HIS 254.A NE2 PRO 207.A O no hydrogen 2.930 N/A VAL 257.A N HIS 254.A O no hydrogen 3.121 N/A HIS 258.A ND1 GLU 253.A OE1 no hydrogen 2.983 N/A HIS 258.A NE2 HIS 251.A ND1 no hydrogen 2.773 N/A MET 259.A N VAL 252.A O no hydrogen 2.839 N/A LEU 261.A N CYS 250.A O no hydrogen 2.815 N/A VAL 263.A N TYR 248.A O no hydrogen 3.054 N/A