Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pje_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 100.A OE2 no hydrogen 3.332 N/A ARG 1.A NH1 ARG 176.A O no hydrogen 3.193 N/A ARG 1.A NH1 THR 177.A OG1 no hydrogen 2.951 N/A ARG 1.A NH2 LEU 174.A O no hydrogen 2.957 N/A ARG 1.A NH2 ARG 176.A O no hydrogen 2.683 N/A HIS 3.A N LEU 98.A O no hydrogen 2.946 N/A HIS 3.A ND1 ASP 27.A OD2 no hydrogen 2.661 N/A SER 4.A N ASP 27.A OD1 no hydrogen 2.847 N/A LEU 5.A N CYS 96.A O no hydrogen 2.914 N/A ARG 6.A N TYR 25.A O no hydrogen 3.006 N/A ARG 6.A NH1 GLU 97.A OE2 no hydrogen 3.468 N/A TYR 7.A N ILE 94.A O no hydrogen 2.854 N/A PHE 8.A N VAL 23.A O no hydrogen 2.829 N/A ARG 9.A N ARG 92.A O no hydrogen 2.925 N/A LEU 10.A N ILE 21.A O no hydrogen 2.823 N/A GLY 11.A N TYR 90.A O no hydrogen 2.743 N/A VAL 12.A N GLU 19.A O no hydrogen 2.863 N/A SER 13.A N HIS 88.A O no hydrogen 2.928 N/A SER 13.A OG GLN 79.A OE1 no hydrogen 2.632 N/A SER 13.A OG GLY 86.A O no hydrogen 3.121 N/A SER 13.A OG HIS 88.A O no hydrogen 3.410 N/A PHE 20.A N SER 36.A OG no hydrogen 3.054 N/A ILE 21.A N LEU 10.A O no hydrogen 2.917 N/A SER 22.A N TYR 34.A O no hydrogen 2.824 N/A SER 22.A OG PHE 8.A O no hydrogen 2.924 N/A VAL 23.A N PHE 8.A O no hydrogen 3.102 N/A GLY 24.A N THR 32.A O no hydrogen 3.064 N/A TYR 25.A N ARG 6.A O no hydrogen 2.786 N/A VAL 26.A N HIS 29.A O no hydrogen 2.932 N/A ASP 27.A N SER 4.A O no hydrogen 2.949 N/A SER 28.A OG TYR 236.A OH no hydrogen 3.421 N/A HIS 29.A N VAL 26.A O no hydrogen 2.909 N/A HIS 29.A NE2 TYR 204.A OH no hydrogen 2.702 N/A ILE 31.A N GLY 24.A O no hydrogen 2.794 N/A THR 33.A N GLU 42.A O no hydrogen 2.884 N/A TYR 34.A N SER 22.A O no hydrogen 2.907 N/A TYR 34.A OH GLN 68.A OE1 no hydrogen 2.673 N/A SER 36.A N PHE 20.A O no hydrogen 2.871 N/A SER 36.A OG PHE 20.A O no hydrogen 3.356 N/A VAL 37.A N ASP 35.A OD1 no hydrogen 2.836 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.781 N/A THR 38.A OG1 ASP 35.A O no hydrogen 3.544 N/A THR 38.A OG1 GLN 40.A O no hydrogen 3.353 N/A ARG 39.A N ASP 35.A O no hydrogen 2.841 N/A GLN 40.A N THR 38.A OG1 no hydrogen 3.257 N/A LYS 41.A N THR 61.A OG1 no hydrogen 2.837 N/A GLU 42.A N THR 33.A O no hydrogen 2.827 N/A ARG 44.A N ILE 31.A O no hydrogen 2.775 N/A ARG 44.A NH1 PRO 43.A O no hydrogen 3.147 N/A MET 48.A N ALA 45.A O no hydrogen 3.039 N/A ALA 49.A N ALA 45.A O no hydrogen 3.235 N/A GLU 50.A N PRO 46.A O no hydrogen 2.962 N/A ASN 51.A N MET 48.A O no hydrogen 3.336 N/A ASN 51.A ND2 TRP 47.A O no hydrogen 2.762 N/A LEU 52.A N MET 48.A O no hydrogen 3.143 N/A HIS 56.A N ALA 53.A O no hydrogen 3.010 N/A TRP 57.A NE1 LEU 52.A O no hydrogen 3.193 N/A GLU 58.A N PRO 54.A O no hydrogen 2.894 N/A ARG 59.A N ASP 55.A O no hydrogen 2.980 N/A TYR 60.A N HIS 56.A O no hydrogen 2.995 N/A THR 61.A N TRP 57.A O no hydrogen 2.901 N/A THR 61.A OG1 GLN 40.A OE1 no hydrogen 3.495 N/A THR 61.A OG1 TRP 57.A O no hydrogen 2.779 N/A GLN 62.A N GLU 58.A O no hydrogen 3.274 N/A LEU 63.A N ARG 59.A O no hydrogen 3.037 N/A LEU 64.A N TYR 60.A O no hydrogen 2.847 N/A ARG 65.A N THR 61.A O no hydrogen 3.021 N/A ARG 65.A NE ARG 39.A O no hydrogen 2.926 N/A ARG 65.A NH2 ARG 39.A O no hydrogen 2.924 N/A GLY 66.A N GLN 62.A O no hydrogen 3.143 N/A TRP 67.A N LEU 63.A O no hydrogen 2.851 N/A GLN 68.A N LEU 64.A O no hydrogen 2.774 N/A GLN 69.A N ARG 65.A O no hydrogen 3.285 N/A MET 70.A N GLY 66.A O no hydrogen 3.164 N/A PHE 71.A N TRP 67.A O no hydrogen 2.910 N/A LYS 72.A N GLN 68.A O no hydrogen 3.156 N/A LYS 72.A NZ GLU 19.A OE2 no hydrogen 2.709 N/A VAL 73.A N GLN 69.A O no hydrogen 3.307 N/A GLU 74.A N MET 70.A O no hydrogen 2.950 N/A LEU 75.A N PHE 71.A O no hydrogen 3.025 N/A LYS 76.A N LYS 72.A O no hydrogen 3.028 N/A ARG 77.A N VAL 73.A O no hydrogen 2.952 N/A LEU 78.A N GLU 74.A O no hydrogen 2.915 N/A GLN 79.A N LEU 75.A O no hydrogen 3.002 N/A GLN 79.A NE2 HIS 84.A O no hydrogen 3.213 N/A GLN 79.A NE2 GLY 86.A O no hydrogen 3.305 N/A ARG 80.A N LYS 76.A O no hydrogen 3.068 N/A HIS 81.A N ARG 77.A O no hydrogen 2.921 N/A TYR 82.A N LEU 78.A O no hydrogen 2.972 N/A TYR 82.A OH ASP 131.A OD1 no hydrogen 3.279 N/A TYR 82.A OH ASP 131.A OD2 no hydrogen 2.594 N/A ASN 83.A N ARG 80.A O no hydrogen 3.262 N/A HIS 84.A N GLN 79.A O no hydrogen 2.825 N/A HIS 84.A ND1 TYR 112.A OH no hydrogen 2.770 N/A SER 87.A OG SER 13.A O no hydrogen 2.599 N/A HIS 88.A N SER 13.A OG no hydrogen 2.827 N/A HIS 88.A ND1 ASP 113.A OD2 no hydrogen 2.634 N/A HIS 88.A NE2 SER 85.A O no hydrogen 2.970 N/A THR 89.A N ASP 113.A OD1 no hydrogen 2.923 N/A TYR 90.A N GLY 11.A O no hydrogen 2.913 N/A TYR 90.A OH GLU 74.A OE2 no hydrogen 2.979 N/A GLN 91.A N ALA 111.A O no hydrogen 2.876 N/A ARG 92.A N ARG 9.A O no hydrogen 3.000 N/A ARG 92.A NE TYR 110.A OH no hydrogen 2.847 N/A MET 93.A N GLN 109.A O no hydrogen 2.913 N/A ILE 94.A N TYR 7.A O no hydrogen 3.009 N/A GLY 95.A N PHE 107.A O no hydrogen 2.946 N/A CYS 96.A N LEU 5.A O no hydrogen 2.933 N/A GLU 97.A N THR 105.A O no hydrogen 3.046 N/A LEU 98.A N HIS 3.A O no hydrogen 2.854 N/A LEU 99.A N SER 103.A O no hydrogen 2.870 N/A GLY 102.A N LEU 99.A O no hydrogen 3.008 N/A SER 103.A N ASP 101.A OD1 no hydrogen 2.993 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.679 N/A THR 105.A N GLU 97.A O no hydrogen 3.081 N/A THR 105.A OG1 GLU 97.A OE1 no hydrogen 3.004 N/A PHE 107.A N GLY 95.A O no hydrogen 2.855 N/A GLN 109.A N MET 93.A O no hydrogen 2.921 N/A TYR 110.A N LEU 118.A O no hydrogen 2.859 N/A ALA 111.A N GLN 91.A O no hydrogen 2.869 N/A TYR 112.A N GLN 115.A O no hydrogen 3.052 N/A TYR 112.A OH HIS 84.A ND1 no hydrogen 2.770 N/A ASP 113.A N THR 89.A O no hydrogen 2.792 N/A GLN 115.A N TYR 112.A O no hydrogen 3.096 N/A PHE 117.A N TYR 110.A O no hydrogen 2.912 N/A LEU 118.A N TYR 110.A O no hydrogen 3.247 N/A ILE 119.A N LEU 128.A O no hydrogen 3.051 N/A PHE 120.A N LEU 108.A O no hydrogen 2.867 N/A ASN 121.A N SER 126.A O no hydrogen 2.800 N/A LYS 122.A NZ ASP 123.A OD1 no hydrogen 3.409 N/A LYS 122.A NZ GLU 156.A OE2 no hydrogen 2.828 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 2.931 N/A THR 124.A N ASN 121.A OD1 no hydrogen 3.042 N/A THR 124.A OG1 SER 126.A OG no hydrogen 2.624 N/A SER 126.A N ASN 121.A O no hydrogen 3.230 N/A SER 126.A OG THR 124.A OG1 no hydrogen 2.624 N/A TRP 127.A N GLU 142.A OE2 no hydrogen 2.755 N/A LEU 128.A N ILE 119.A O no hydrogen 2.797 N/A VAL 130.A N PHE 117.A O no hydrogen 3.463 N/A ALA 134.A N ASP 131.A OD1 no hydrogen 2.809 N/A HIS 135.A N ASP 131.A O no hydrogen 2.940 N/A THR 136.A N ASN 132.A O no hydrogen 3.133 N/A THR 136.A OG1 ASN 132.A O no hydrogen 3.128 N/A ILE 137.A N VAL 133.A O no hydrogen 3.233 N/A LYS 138.A N ALA 134.A O no hydrogen 2.770 N/A LYS 138.A NZ TRP 127.A O no hydrogen 2.761 N/A LYS 138.A NZ GLU 142.A OE1 no hydrogen 3.320 N/A LYS 138.A NZ GLU 142.A OE2 no hydrogen 2.714 N/A GLN 139.A N HIS 135.A O no hydrogen 2.905 N/A ALA 140.A N THR 136.A O no hydrogen 3.244 N/A TRP 141.A N ILE 137.A O no hydrogen 2.920 N/A GLU 142.A N LYS 138.A O no hydrogen 2.835 N/A ASN 144.A N TRP 141.A O no hydrogen 3.273 N/A GLU 147.A N ASN 144.A O no hydrogen 3.258 N/A GLU 147.A N ASN 144.A OD1 no hydrogen 3.192 N/A LEU 148.A N ASN 144.A O no hydrogen 3.397 N/A LEU 149.A N GLN 145.A O no hydrogen 3.104 N/A TYR 150.A N HIS 146.A O no hydrogen 2.891 N/A GLN 151.A N GLU 147.A O no hydrogen 2.921 N/A LYS 152.A N LEU 148.A O no hydrogen 3.004 N/A LYS 152.A NZ LYS 122.A O no hydrogen 2.874 N/A LYS 152.A NZ GLU 156.A OE2 no hydrogen 2.686 N/A ASN 153.A N LEU 149.A O no hydrogen 2.914 N/A TRP 154.A N TYR 150.A O no hydrogen 2.879 N/A LEU 155.A N GLN 151.A O no hydrogen 2.997 N/A GLU 156.A N LYS 152.A O no hydrogen 2.998 N/A GLU 157.A N ASN 153.A O no hydrogen 2.826 N/A CYS 159.A N TRP 154.A O no hydrogen 2.741 N/A ALA 161.A N GLU 157.A O no hydrogen 3.041 N/A TRP 162.A N GLU 158.A O no hydrogen 2.862 N/A LEU 163.A N CYS 159.A O no hydrogen 2.869 N/A LYS 164.A N ILE 160.A O no hydrogen 2.926 N/A ARG 165.A N ALA 161.A O no hydrogen 3.084 N/A ARG 165.A NE TYR 169.A OH no hydrogen 2.731 N/A PHE 166.A N TRP 162.A O no hydrogen 2.919 N/A LEU 167.A N LEU 163.A O no hydrogen 2.820 N/A GLU 168.A N LYS 164.A O no hydrogen 3.208 N/A TYR 169.A N ARG 165.A O no hydrogen 3.034 N/A GLY 170.A N PHE 166.A O no hydrogen 2.863 N/A LYS 171.A N GLU 168.A O no hydrogen 3.240 N/A LYS 171.A NZ GLU 168.A OE1 no hydrogen 3.162 N/A LYS 171.A NZ GLU 168.A OE2 no hydrogen 3.192 N/A THR 173.A N GLY 170.A O no hydrogen 2.915 N/A LEU 174.A N GLY 170.A O no hydrogen 2.784 N/A GLN 175.A N LYS 171.A O no hydrogen 2.935 N/A ARG 176.A NE GLU 178.A OE2 no hydrogen 2.891 N/A ARG 176.A NH1 THR 173.A O no hydrogen 2.944 N/A ARG 176.A NH2 GLU 178.A OE2 no hydrogen 2.940 N/A ARG 176.A NH2 GLY 234.A O no hydrogen 3.375 N/A GLU 178.A N TYR 204.A O no hydrogen 2.783 N/A LEU 181.A N HIS 201.A O no hydrogen 2.813 N/A ARG 183.A N LYS 199.A O no hydrogen 2.911 N/A ASN 185.A N PHE 197.A O no hydrogen 2.810 N/A LYS 187.A N ALA 195.A O no hydrogen 3.020 N/A THR 189.A N VAL 193.A O no hydrogen 2.788 N/A THR 189.A OG1 VAL 193.A O no hydrogen 3.478 N/A GLY 192.A N GLU 188.A OE2 no hydrogen 3.446 N/A VAL 193.A N PHE 190.A O no hydrogen 2.961 N/A THR 194.A N LEU 244.A O no hydrogen 3.315 N/A ALA 195.A N LYS 187.A O no hydrogen 2.768 N/A LEU 196.A N ILE 242.A O no hydrogen 2.815 N/A PHE 197.A N ASN 185.A O no hydrogen 2.800 N/A CYS 198.A N ALA 240.A O no hydrogen 2.863 N/A LYS 199.A N ARG 183.A O no hydrogen 2.823 N/A ALA 200.A N ALA 238.A O no hydrogen 2.866 N/A HIS 201.A N LEU 181.A O no hydrogen 2.982 N/A PHE 203.A N TYR 236.A O no hydrogen 3.364 N/A TYR 204.A N GLU 178.A O no hydrogen 2.936 N/A TYR 204.A OH HIS 29.A NE2 no hydrogen 2.702 N/A TYR 209.A N GLU 251.A O no hydrogen 2.880 N/A THR 211.A N HIS 249.A O no hydrogen 2.976 N/A TRP 212.A NE1 ALA 240.A O no hydrogen 3.030 N/A MET 213.A N SER 247.A O no hydrogen 2.953 N/A LYS 214.A N GLU 217.A O no hydrogen 2.768 N/A LYS 214.A NZ TYR 246.A OH no hydrogen 3.408 N/A ASN 215.A N LEU 245.A O no hydrogen 2.788 N/A GLU 217.A N LYS 214.A O no hydrogen 2.766 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 3.116 N/A ASP 224.A N SER 241.A O no hydrogen 2.956 N/A GLY 226.A N TRP 239.A O no hydrogen 2.790 N/A LEU 229.A N GLN 237.A O no hydrogen 2.847 N/A SER 231.A N THR 235.A O no hydrogen 2.898 N/A SER 231.A OG GLN 237.A OE1 no hydrogen 3.025 N/A THR 235.A N ASP 233.A OD1 no hydrogen 2.984 N/A THR 235.A OG1 ASP 233.A OD1 no hydrogen 2.678 N/A THR 235.A OG1 ASP 233.A OD2 no hydrogen 3.496 N/A TYR 236.A N PHE 203.A O no hydrogen 2.850 N/A TYR 236.A OH SER 28.A OG no hydrogen 3.421 N/A GLN 237.A N LEU 229.A O no hydrogen 2.968 N/A ALA 238.A N ALA 200.A O no hydrogen 2.937 N/A ALA 240.A N CYS 198.A O no hydrogen 2.963 N/A SER 241.A N ASP 224.A O no hydrogen 2.836 N/A ILE 242.A N LEU 196.A O no hydrogen 2.984 N/A LEU 244.A N THR 194.A O no hydrogen 2.838 N/A SER 247.A N MET 213.A O no hydrogen 3.050 N/A SER 247.A OG HIS 249.A NE2 no hydrogen 2.828 N/A CYS 248.A N LEU 259.A O no hydrogen 2.881 N/A CYS 248.A SG THR 211.A O no hydrogen 3.763 N/A HIS 249.A N THR 211.A O no hydrogen 2.882 N/A HIS 249.A NE2 SER 247.A OG no hydrogen 2.828 N/A VAL 250.A N MET 257.A O no hydrogen 2.839 N/A GLU 251.A N TYR 209.A O no hydrogen 2.843 N/A HIS 252.A N VAL 255.A O no hydrogen 3.022 N/A HIS 252.A NE2 PRO 205.A O no hydrogen 2.863 N/A VAL 255.A N HIS 252.A O no hydrogen 2.971 N/A MET 257.A N VAL 250.A O no hydrogen 2.812 N/A LEU 259.A N CYS 248.A O no hydrogen 2.867 N/A VAL 261.A N TYR 246.A O no hydrogen 2.838 N/A