Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH TYR 123.A OH no hydrogen 2.741 N/A GLN 6.A N SER 2.A O no hydrogen 3.178 N/A THR 7.A N HIS 3.A O no hydrogen 3.074 N/A THR 7.A OG1 HIS 3.A O no hydrogen 2.921 N/A GLU 8.A N GLN 4.A O no hydrogen 3.096 N/A VAL 9.A N TYR 5.A O no hydrogen 2.862 N/A THR 10.A N GLN 6.A O no hydrogen 3.356 N/A THR 10.A OG1 GLN 6.A O no hydrogen 2.513 N/A ARG 11.A N THR 7.A O no hydrogen 3.208 N/A ARG 11.A NE SER 99.A OG no hydrogen 3.005 N/A ARG 11.A NH1 SER 99.A OG no hydrogen 3.417 N/A ARG 11.A NH1 ASN 100.A OD1 no hydrogen 2.626 N/A ARG 11.A NH1 GLU 103.A OE2 no hydrogen 2.789 N/A ARG 11.A NH2 GLU 103.A OE2 no hydrogen 2.850 N/A LEU 12.A N GLU 8.A O no hydrogen 2.826 N/A MET 13.A N VAL 9.A O no hydrogen 2.791 N/A ASP 14.A N THR 10.A O no hydrogen 2.875 N/A ILE 15.A N ARG 11.A O no hydrogen 2.892 N/A ILE 16.A N LEU 12.A O no hydrogen 2.932 N/A VAL 17.A N MET 13.A O no hydrogen 2.876 N/A ASN 18.A N ASP 14.A O no hydrogen 2.879 N/A SER 19.A N ILE 15.A O no hydrogen 2.868 N/A SER 19.A OG ILE 15.A O no hydrogen 3.223 N/A LEU 20.A N ILE 16.A O no hydrogen 2.910 N/A GLN 23.A N LEU 20.A O no hydrogen 2.936 N/A LYS 24.A NZ ASP 178.A OD2 no hydrogen 2.798 N/A VAL 26.A N GLN 23.A O no hydrogen 2.883 N/A PHE 27.A N LYS 24.A O no hydrogen 3.522 N/A GLU 30.A N VAL 26.A O no hydrogen 3.383 N/A LEU 31.A N PHE 27.A O no hydrogen 3.082 N/A ILE 32.A N LEU 28.A O no hydrogen 3.018 N/A SER 33.A N ARG 29.A O no hydrogen 3.209 N/A ASN 34.A N GLU 30.A O no hydrogen 2.889 N/A ALA 35.A N LEU 31.A O no hydrogen 2.971 N/A ALA 36.A N ILE 32.A O no hydrogen 2.900 N/A ASP 37.A N SER 33.A O no hydrogen 3.047 N/A ALA 38.A N ASN 34.A O no hydrogen 3.045 N/A LEU 39.A N ALA 35.A O no hydrogen 3.026 N/A GLU 40.A N ALA 36.A O no hydrogen 2.954 N/A LYS 41.A N ASP 37.A O no hydrogen 3.144 N/A LYS 41.A NZ ASP 37.A OD1 no hydrogen 2.929 N/A LYS 41.A NZ ASP 37.A OD2 no hydrogen 3.030 N/A ILE 42.A N ALA 38.A O no hydrogen 3.441 N/A ARG 43.A N LEU 39.A O no hydrogen 2.845 N/A ARG 43.A NH1 GLU 40.A OE2 no hydrogen 2.982 N/A PHE 44.A N GLU 40.A O no hydrogen 2.846 N/A LEU 45.A N LYS 41.A O no hydrogen 3.435 N/A SER 46.A N ILE 42.A O no hydrogen 3.129 N/A SER 46.A OG ARG 43.A O no hydrogen 2.668 N/A SER 48.A N LEU 45.A O no hydrogen 3.000 N/A ASP 49.A N LEU 45.A O no hydrogen 3.083 N/A SER 51.A N ASP 49.A OD1 no hydrogen 3.426 N/A VAL 52.A N ASP 49.A O no hydrogen 3.417 N/A LYS 57.A NZ GLU 50.A O no hydrogen 3.340 N/A GLU 60.A N THR 77.A OG1 no hydrogen 2.960 N/A ILE 61.A N PRO 202.A O no hydrogen 2.901 N/A ARG 62.A N THR 75.A O no hydrogen 2.638 N/A ARG 62.A NH1 GLU 60.A OE1 no hydrogen 2.731 N/A ILE 63.A N TYR 204.A O no hydrogen 2.830 N/A SER 64.A N SER 73.A O no hydrogen 3.133 N/A ASN 66.A N ILE 71.A O no hydrogen 2.678 N/A LYS 69.A N ASN 66.A OD1 no hydrogen 3.081 N/A ASN 70.A ND2 LEU 175.A O no hydrogen 3.516 N/A ILE 71.A N ASN 66.A O no hydrogen 3.176 N/A LEU 72.A N LEU 173.A O no hydrogen 3.049 N/A SER 73.A N SER 64.A O no hydrogen 2.739 N/A ILE 74.A N ILE 171.A O no hydrogen 2.825 N/A THR 75.A N ARG 62.A O no hydrogen 2.919 N/A ASP 76.A N THR 169.A O no hydrogen 2.946 N/A THR 77.A N GLU 60.A O no hydrogen 3.122 N/A THR 77.A OG1 LYS 58.A O no hydrogen 2.608 N/A THR 77.A OG1 GLU 60.A O no hydrogen 3.564 N/A GLY 78.A N ASP 76.A OD1 no hydrogen 3.173 N/A ILE 79.A N ALA 38.A O no hydrogen 2.980 N/A MET 81.A N THR 136.A OG1 no hydrogen 2.763 N/A LYS 83.A N ASP 141.A OD2 no hydrogen 3.067 N/A ASP 85.A N THR 82.A OG1 no hydrogen 3.165 N/A LEU 86.A N THR 82.A O no hydrogen 2.926 N/A ILE 87.A N LYS 83.A O no hydrogen 2.939 N/A ASN 88.A N VAL 84.A O no hydrogen 2.847 N/A ASN 89.A N ASP 85.A O no hydrogen 2.983 N/A LEU 90.A N LEU 86.A O no hydrogen 3.049 N/A GLY 91.A N ILE 87.A O no hydrogen 3.013 N/A THR 92.A N ASN 88.A O no hydrogen 3.022 N/A THR 92.A N ASN 89.A O no hydrogen 3.250 N/A THR 92.A OG1 ASN 89.A O no hydrogen 2.656 N/A ILE 93.A N ASN 89.A O no hydrogen 3.299 N/A ALA 94.A N LEU 90.A O no hydrogen 3.355 N/A LYS 95.A N GLY 91.A O no hydrogen 3.442 N/A SER 96.A N ILE 93.A O no hydrogen 3.418 N/A SER 96.A OG THR 92.A O no hydrogen 2.638 N/A SER 99.A N GLU 8.A OE2 no hydrogen 2.982 N/A SER 99.A OG GLU 8.A OE1 no hydrogen 2.641 N/A ASN 100.A N GLY 97.A O no hydrogen 3.120 N/A LEU 102.A N THR 98.A O no hydrogen 2.994 N/A GLU 103.A N SER 99.A O no hydrogen 2.699 N/A ALA 104.A N ASN 100.A O no hydrogen 3.038 N/A ILE 105.A N PHE 101.A O no hydrogen 2.859 N/A SER 106.A N LEU 102.A O no hydrogen 2.816 N/A SER 106.A OG SER 19.A OG no hydrogen 2.993 N/A LYS 107.A N GLU 103.A O no hydrogen 2.907 N/A LYS 107.A NZ GLU 103.A OE1 no hydrogen 3.175 N/A SER 108.A N ALA 104.A O no hydrogen 3.131 N/A SER 108.A N ILE 105.A O no hydrogen 3.226 N/A SER 108.A OG ALA 104.A O no hydrogen 2.807 N/A GLY 109.A N SER 106.A O no hydrogen 3.103 N/A GLY 110.A N ILE 105.A O no hydrogen 2.840 N/A SER 113.A N ASP 111.A OD2 no hydrogen 3.453 N/A SER 113.A OG ASP 111.A OD1 no hydrogen 3.456 N/A SER 113.A OG ASP 111.A OD2 no hydrogen 2.623 N/A ILE 115.A N MET 112.A O no hydrogen 3.257 N/A PHE 118.A N LEU 114.A O no hydrogen 2.953 N/A GLY 119.A N GLY 116.A O no hydrogen 3.064 N/A VAL 120.A N ILE 115.A O no hydrogen 2.990 N/A TYR 123.A N VAL 120.A O no hydrogen 3.141 N/A TYR 123.A OH TYR 5.A OH no hydrogen 2.741 N/A SER 124.A N GLY 121.A O no hydrogen 3.186 N/A SER 124.A OG GLY 121.A O no hydrogen 2.557 N/A ALA 125.A N PHE 122.A O no hydrogen 3.106 N/A PHE 126.A N TYR 123.A O no hydrogen 3.147 N/A LEU 127.A N SER 124.A O no hydrogen 3.077 N/A VAL 128.A N ALA 125.A O no hydrogen 3.310 N/A ALA 129.A N ALA 125.A O no hydrogen 2.877 N/A ASP 130.A N HIS 174.A O no hydrogen 3.254 N/A LYS 131.A NZ GLU 147.A OE2 no hydrogen 3.193 N/A VAL 132.A N SER 148.A O no hydrogen 2.869 N/A ILE 133.A N SER 172.A O no hydrogen 2.852 N/A VAL 134.A N TRP 146.A O no hydrogen 2.911 N/A TYR 135.A N ARG 170.A O no hydrogen 2.814 N/A THR 136.A N TYR 144.A O no hydrogen 2.900 N/A THR 136.A OG1 THR 169.A OG1 no hydrogen 3.238 N/A LYS 137.A N GLY 168.A O no hydrogen 2.940 N/A LYS 137.A NZ ASN 138.A O no hydrogen 2.806 N/A LYS 137.A NZ ASP 141.A O no hydrogen 3.122 N/A ASN 138.A ND2 ILE 79.A O no hydrogen 2.872 N/A ASN 138.A ND2 GLY 80.A O no hydrogen 3.181 N/A ASN 139.A ND2 VAL 52.A O no hydrogen 2.795 N/A ASP 140.A N ASN 138.A OD1 no hydrogen 3.224 N/A ASP 141.A N ASN 138.A O no hydrogen 2.999 N/A GLU 142.A N ASP 141.A OD1 no hydrogen 2.682 N/A GLN 143.A NE2 ASP 159.A OD2 no hydrogen 2.627 N/A GLN 143.A NE2 THR 164.A OG1 no hydrogen 2.805 N/A TYR 144.A N THR 136.A O no hydrogen 2.849 N/A ILE 145.A N TYR 157.A O no hydrogen 2.631 N/A TRP 146.A N VAL 134.A O no hydrogen 2.740 N/A GLU 147.A N THR 155.A O no hydrogen 3.021 N/A SER 148.A N VAL 132.A O no hydrogen 2.881 N/A THR 149.A N LYS 153.A O no hydrogen 2.755 N/A THR 149.A OG1 LYS 153.A O no hydrogen 3.174 N/A ALA 150.A N ASP 130.A O no hydrogen 3.077 N/A LYS 153.A N ASP 151.A OD2 no hydrogen 3.281 N/A THR 155.A N GLU 147.A O no hydrogen 3.067 N/A TYR 157.A N ILE 145.A O no hydrogen 2.971 N/A LYS 158.A NZ GLU 142.A OE2 no hydrogen 2.792 N/A ASP 159.A N GLN 143.A O no hydrogen 2.754 N/A GLY 162.A N ASP 159.A O no hydrogen 3.161 N/A THR 164.A N GLY 162.A O no hydrogen 2.887 N/A LEU 165.A N GLN 143.A OE1 no hydrogen 2.878 N/A LYS 166.A N ALA 163.A O no hydrogen 3.444 N/A ARG 167.A N LEU 165.A O no hydrogen 2.776 N/A ARG 167.A NE GLY 78.A O no hydrogen 3.111 N/A ARG 167.A NH1 GLU 56.A O no hydrogen 2.643 N/A ARG 167.A NH2 GLU 56.A O no hydrogen 3.169 N/A ARG 167.A NH2 LYS 58.A O no hydrogen 3.284 N/A ARG 167.A NH2 THR 77.A O no hydrogen 2.798 N/A GLY 168.A N LYS 137.A O no hydrogen 3.035 N/A THR 169.A N ASP 76.A O no hydrogen 3.164 N/A THR 169.A OG1 THR 136.A OG1 no hydrogen 3.238 N/A ARG 170.A N TYR 135.A O no hydrogen 2.699 N/A ILE 171.A N ILE 74.A O no hydrogen 2.895 N/A SER 172.A N ILE 133.A O no hydrogen 2.941 N/A LEU 173.A N LEU 72.A O no hydrogen 2.803 N/A HIS 174.A N LYS 131.A O no hydrogen 3.023 N/A LEU 175.A N ASN 70.A O no hydrogen 2.993 N/A LYS 176.A N VAL 128.A O no hydrogen 2.871 N/A LYS 176.A NZ PHE 126.A O no hydrogen 3.441 N/A LYS 176.A NZ LEU 127.A O no hydrogen 3.533 N/A ALA 179.A N LYS 176.A O no hydrogen 2.824 N/A LEU 183.A N THR 180.A O no hydrogen 3.002 N/A ASN 184.A N ASN 181.A O no hydrogen 3.272 N/A LEU 188.A N ASN 184.A O no hydrogen 3.104 N/A MET 189.A N ASP 185.A O no hydrogen 3.105 N/A ASP 190.A N LYS 186.A O no hydrogen 3.122 N/A LEU 191.A N LYS 187.A O no hydrogen 2.943 N/A ILE 192.A N LEU 188.A O no hydrogen 2.809 N/A SER 193.A N MET 189.A O no hydrogen 3.002 N/A LYS 194.A N ASP 190.A O no hydrogen 3.149 N/A TYR 195.A N LEU 191.A O no hydrogen 3.033 N/A SER 196.A OG ILE 192.A O no hydrogen 2.626 N/A SER 196.A OG SER 193.A O no hydrogen 3.503 N/A ILE 203.A N ASN 258.A OD1 no hydrogen 2.760 N/A TYR 204.A N ILE 61.A O no hydrogen 2.799 N/A LEU 205.A N THR 255.A O no hydrogen 2.904 N/A LEU 206.A N ILE 63.A O no hydrogen 2.975 N/A HIS 207.A N LYS 253.A O no hydrogen 2.924 N/A HIS 207.A NE2 THR 255.A OG1 no hydrogen 2.777 N/A ASN 209.A N VAL 251.A O no hydrogen 2.921 N/A TYR 211.A N LYS 249.A O no hydrogen 2.858 N/A GLU 213.A N VAL 247.A O no hydrogen 3.172 N/A VAL 215.A N ARG 245.A O no hydrogen 2.911 N/A ALA 217.A N LYS 243.A O no hydrogen 2.953 N/A ILE 219.A N LEU 216.A O no hydrogen 2.864 N/A ALA 220.A N LEU 216.A O no hydrogen 3.000 N/A LYS 221.A N ALA 217.A O no hydrogen 3.433 N/A MET 223.A N ILE 219.A O no hydrogen 2.994 N/A VAL 224.A N LYS 221.A O no hydrogen 3.401 N/A ASN 225.A N ASP 222.A O no hydrogen 3.237 N/A ASP 226.A N MET 223.A O no hydrogen 3.148 N/A ASN 228.A N ASP 226.A OD2 no hydrogen 3.122 N/A ASN 228.A ND2 ASP 226.A OD2 no hydrogen 2.916 N/A SER 231.A N LYS 250.A O no hydrogen 3.246 N/A LYS 233.A N GLU 248.A O no hydrogen 2.782 N/A GLU 235.A N THR 246.A O no hydrogen 2.973 N/A ASP 239.A N THR 237.A OG1 no hydrogen 3.276 N/A ASN 241.A N ASP 239.A OD1 no hydrogen 3.058 N/A LYS 242.A NZ GLU 235.A OE2 no hydrogen 3.330 N/A LYS 242.A NZ THR 244.A O no hydrogen 3.195 N/A THR 244.A OG1 GLU 214.A OE2 no hydrogen 2.866 N/A ARG 245.A N VAL 215.A O no hydrogen 2.805 N/A ARG 245.A NH1 LYS 242.A O no hydrogen 3.049 N/A ARG 245.A NH1 THR 244.A O no hydrogen 3.158 N/A THR 246.A N GLU 235.A OE2 no hydrogen 3.033 N/A THR 246.A OG1 GLU 214.A OE1 no hydrogen 2.439 N/A THR 246.A OG1 GLU 235.A OE2 no hydrogen 3.319 N/A VAL 247.A N GLU 213.A O no hydrogen 3.035 N/A GLU 248.A N LYS 233.A O no hydrogen 2.765 N/A LYS 249.A N TYR 211.A O no hydrogen 2.857 N/A LYS 250.A N SER 231.A O no hydrogen 2.808 N/A VAL 251.A N ASN 209.A O no hydrogen 3.095 N/A LYS 252.A N ASP 230.A OD2 no hydrogen 2.953 N/A LYS 253.A N HIS 207.A O no hydrogen 2.832 N/A THR 255.A N LEU 205.A O no hydrogen 2.868 N/A THR 255.A OG1 HIS 207.A NE2 no hydrogen 2.777 N/A MET 257.A N ILE 203.A O no hydrogen 2.716 N/A ASN 258.A ND2 PHE 201.A O no hydrogen 2.893 N/A