Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wje_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLY 34.A O no hydrogen 2.860 N/A MET 2.A N GLY 34.A O no hydrogen 2.973 N/A ILE 3.A N PHE 231.A O no hydrogen 2.954 N/A ASP 4.A N THR 37.A O no hydrogen 2.876 N/A HIS 6.A N ASP 4.A OD1 no hydrogen 3.478 N/A HIS 6.A ND1 GLN 162.A OE1 no hydrogen 2.852 N/A HIS 6.A NE2 GLU 81.A OE2 no hydrogen 3.083 N/A SER 7.A N THR 41.A OG1 no hydrogen 2.997 N/A SER 7.A OG VAL 39.A O no hydrogen 2.778 N/A HIS 8.A N MET 201.A O no hydrogen 2.789 N/A HIS 8.A ND1 ASP 14.A OD1 no hydrogen 2.820 N/A ASP 12.A N PRO 17.A O no hydrogen 2.908 N/A GLY 16.A N ASP 14.A OD2 no hydrogen 2.852 N/A LYS 18.A N GLU 22.A OE1 no hydrogen 2.752 N/A ARG 20.A NE GLN 62.A OE1 no hydrogen 3.034 N/A ARG 20.A NH2 GLN 62.A OE1 no hydrogen 2.674 N/A GLU 22.A N SER 19.A OG no hydrogen 3.095 N/A SER 23.A N SER 19.A O no hydrogen 3.000 N/A SER 23.A OG ILE 9.A O no hydrogen 2.692 N/A SER 23.A OG SER 19.A O no hydrogen 3.505 N/A LYS 24.A N ARG 20.A O no hydrogen 2.982 N/A LYS 24.A NZ GLU 69.A OE2 no hydrogen 3.011 N/A ALA 25.A N GLU 21.A O no hydrogen 3.059 N/A LEU 26.A N GLU 22.A O no hydrogen 3.089 N/A LEU 27.A N SER 23.A O no hydrogen 2.976 N/A ALA 28.A N LYS 24.A O no hydrogen 2.916 N/A GLU 29.A N ALA 25.A O no hydrogen 3.081 N/A SER 30.A N LEU 26.A O no hydrogen 3.067 N/A TYR 31.A N LEU 27.A O no hydrogen 2.914 N/A TYR 31.A OH ASP 73.A OD1 no hydrogen 2.573 N/A TYR 31.A OH ASP 73.A OD2 no hydrogen 3.409 N/A ARG 32.A N ALA 28.A O no hydrogen 2.872 N/A ARG 32.A NE GLU 29.A OE2 no hydrogen 2.926 N/A ARG 32.A NH2 GLU 29.A OE1 no hydrogen 2.715 N/A GLN 33.A N GLU 29.A O no hydrogen 3.044 N/A GLN 33.A N SER 30.A O no hydrogen 3.171 N/A GLN 33.A NE2 GLU 29.A OE1 no hydrogen 2.824 N/A GLN 33.A NE2 PRO 209.A O no hydrogen 3.101 N/A GLY 34.A N TYR 31.A O no hydrogen 2.937 N/A VAL 35.A N SER 30.A O no hydrogen 3.139 N/A ARG 36.A N MET 2.A O no hydrogen 2.872 N/A ARG 36.A NH1 TYR 31.A O no hydrogen 2.952 N/A ARG 36.A NH1 VAL 35.A O no hydrogen 2.960 N/A THR 37.A N MET 2.A O no hydrogen 3.424 N/A ILE 38.A N VAL 75.A O no hydrogen 2.842 N/A VAL 39.A N ASP 4.A O no hydrogen 2.784 N/A SER 40.A N ALA 77.A O no hydrogen 2.788 N/A THR 41.A N SER 7.A O no hydrogen 2.878 N/A THR 41.A OG1 SER 7.A O no hydrogen 3.208 N/A HIS 43.A N ASP 14.A OD1 no hydrogen 2.881 N/A ARG 44.A N GLU 81.A O no hydrogen 2.867 N/A ARG 44.A NE GLU 53.A OE1 no hydrogen 2.830 N/A ARG 44.A NE GLU 53.A OE2 no hydrogen 3.422 N/A ARG 44.A NH1 GLU 53.A OE2 no hydrogen 2.826 N/A ARG 44.A NH2 SER 42.A O no hydrogen 2.971 N/A ARG 45.A N PHE 49.A O no hydrogen 2.853 N/A GLY 47.A N GLU 50.A OE2 no hydrogen 2.710 N/A MET 48.A N ARG 45.A O no hydrogen 3.025 N/A PHE 49.A N ARG 45.A O no hydrogen 2.806 N/A THR 51.A OG1 VAL 13.A O no hydrogen 2.575 N/A LYS 55.A NZ ASP 12.A OD2 no hydrogen 3.126 N/A ILE 56.A N PRO 52.A O no hydrogen 3.086 N/A ALA 57.A N GLU 53.A O no hydrogen 2.889 N/A GLU 58.A N GLU 54.A O no hydrogen 3.060 N/A ASN 59.A N LYS 55.A O no hydrogen 2.903 N/A PHE 60.A N ILE 56.A O no hydrogen 2.789 N/A LEU 61.A N ALA 57.A O no hydrogen 3.035 N/A GLN 62.A N GLU 58.A O no hydrogen 3.281 N/A VAL 63.A N ASN 59.A O no hydrogen 3.022 N/A ARG 64.A N PHE 60.A O no hydrogen 2.891 N/A ARG 64.A NE ILE 76.A O no hydrogen 3.108 N/A ARG 64.A NH2 ILE 76.A O no hydrogen 2.877 N/A GLU 65.A N LEU 61.A O no hydrogen 3.169 N/A ILE 66.A N GLN 62.A O no hydrogen 2.873 N/A ALA 67.A N VAL 63.A O no hydrogen 2.909 N/A LYS 68.A N GLU 65.A O no hydrogen 3.101 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 3.071 N/A LYS 68.A NZ GLU 65.A OE2 no hydrogen 3.082 N/A GLU 69.A N ILE 66.A O no hydrogen 2.872 N/A VAL 70.A N ALA 67.A O no hydrogen 3.013 N/A ALA 71.A N ALA 67.A O no hydrogen 3.122 N/A LEU 74.A N ALA 71.A O no hydrogen 3.403 N/A VAL 75.A N ARG 36.A O no hydrogen 2.847 N/A ALA 77.A N ILE 38.A O no hydrogen 2.881 N/A GLU 81.A N SER 42.A O no hydrogen 3.030 N/A ILE 82.A N LEU 107.A O no hydrogen 2.889 N/A TYR 83.A N ARG 44.A O no hydrogen 2.945 N/A TYR 83.A OH SER 111.A OG no hydrogen 2.506 N/A TYR 84.A N GLU 109.A O no hydrogen 2.966 N/A THR 85.A OG1 ASP 87.A OD1 no hydrogen 2.519 N/A VAL 88.A N THR 85.A O no hydrogen 2.940 N/A LEU 89.A N PRO 86.A O no hydrogen 3.311 N/A LYS 91.A N ASP 87.A O no hydrogen 3.380 N/A LYS 91.A NZ ASP 87.A OD2 no hydrogen 3.008 N/A LEU 92.A N VAL 88.A O no hydrogen 2.838 N/A GLU 93.A N LEU 89.A O no hydrogen 2.868 N/A LYS 94.A N ASP 90.A O no hydrogen 2.937 N/A LYS 95.A N LEU 92.A O no hydrogen 2.962 N/A LYS 95.A NZ ASP 102.A OD1 no hydrogen 3.257 N/A ARG 96.A N LYS 91.A O no hydrogen 2.724 N/A THR 99.A OG1 SER 103.A O no hydrogen 2.694 N/A LEU 100.A N TYR 105.A O no hydrogen 2.800 N/A ASN 101.A N TYR 78.A O no hydrogen 2.806 N/A ASN 101.A ND2 VAL 239.A O no hydrogen 2.821 N/A SER 103.A N LEU 100.A O no hydrogen 2.974 N/A SER 103.A OG LEU 100.A O no hydrogen 2.692 N/A SER 103.A OG ILE 238.A O no hydrogen 3.434 N/A ARG 104.A N ASP 241.A OD1 no hydrogen 2.829 N/A ARG 104.A NE ASP 241.A OD1 no hydrogen 2.810 N/A ARG 104.A NH2 ASP 241.A O no hydrogen 2.769 N/A TYR 105.A N SER 103.A OG no hydrogen 2.996 N/A TYR 105.A OH GLN 242.A O no hydrogen 2.682 N/A ALA 106.A N THR 132.A O no hydrogen 2.991 N/A ILE 108.A N VAL 134.A O no hydrogen 2.861 N/A GLU 109.A N ILE 82.A O no hydrogen 2.895 N/A PHE 110.A N TYR 141.A OH no hydrogen 3.150 N/A SER 111.A N THR 114.A OG1 no hydrogen 2.926 N/A SER 111.A OG TYR 83.A OH no hydrogen 2.506 N/A THR 114.A N SER 111.A O no hydrogen 3.081 N/A THR 114.A OG1 SER 111.A O no hydrogen 3.074 N/A ASP 118.A N PRO 115.A O no hydrogen 2.960 N/A ILE 119.A N PRO 115.A O no hydrogen 3.093 N/A HIS 120.A N TYR 116.A O no hydrogen 2.830 N/A SER 121.A N ARG 117.A O no hydrogen 2.945 N/A ALA 122.A N ASP 118.A O no hydrogen 2.962 N/A LEU 123.A N ILE 119.A O no hydrogen 3.009 N/A SER 124.A N HIS 120.A O no hydrogen 2.935 N/A LYS 125.A N SER 121.A O no hydrogen 3.018 N/A LYS 125.A NZ.A SER 121.A OG no hydrogen 3.215 N/A ILE 126.A N ALA 122.A O no hydrogen 3.048 N/A LEU 127.A N LEU 123.A O no hydrogen 2.945 N/A MET 128.A N SER 124.A O no hydrogen 3.016 N/A LEU 129.A N ILE 126.A O no hydrogen 2.945 N/A GLY 130.A N LEU 127.A O no hydrogen 2.881 N/A THR 132.A N ARG 104.A O no hydrogen 2.788 N/A VAL 134.A N ALA 106.A O no hydrogen 2.821 N/A ILE 135.A N TYR 160.A O no hydrogen 2.811 N/A ALA 136.A N ILE 108.A O no hydrogen 2.852 N/A HIS 137.A N GLN 162.A OE1 no hydrogen 3.058 N/A HIS 137.A ND1 HIS 137.A O no hydrogen 2.770 N/A ILE 138.A N GLN 162.A O no hydrogen 2.980 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.631 N/A ARG 140.A N HIS 137.A O no hydrogen 2.920 N/A TYR 141.A N ILE 138.A O no hydrogen 3.234 N/A TYR 141.A OH ALA 136.A O no hydrogen 2.717 N/A ASP 142.A N MET 112.A O no hydrogen 2.915 N/A LEU 144.A N TYR 141.A O no hydrogen 2.996 N/A GLU 145.A N ASP 142.A O no hydrogen 3.275 N/A ASN 147.A N LEU 144.A O no hydrogen 2.957 N/A GLU 148.A N TYR 187.A OH no hydrogen 3.069 N/A ARG 150.A NH2 ALA 143.A O no hydrogen 2.811 N/A VAL 151.A N ASN 147.A O no hydrogen 3.109 N/A ARG 152.A N GLU 148.A O no hydrogen 2.892 N/A ARG 152.A NE GLU 148.A OE2 no hydrogen 2.697 N/A ARG 152.A NH2 GLU 148.A OE2 no hydrogen 3.350 N/A GLU 153.A N LYS 149.A O no hydrogen 2.807 N/A LEU 154.A N ARG 150.A O no hydrogen 3.156 N/A ILE 155.A N VAL 151.A O no hydrogen 2.970 N/A ASP 156.A N ARG 152.A O no hydrogen 2.776 N/A MET 157.A N GLU 153.A O no hydrogen 3.159 N/A GLY 158.A N ILE 155.A O no hydrogen 2.832 N/A CYS 159.A N LEU 154.A O no hydrogen 3.213 N/A TYR 160.A N PRO 133.A O no hydrogen 2.997 N/A THR 161.A OG1 LEU 193.A O no hydrogen 2.640 N/A GLN 162.A N ILE 135.A O no hydrogen 3.069 N/A GLN 162.A NE2 ASN 164.A OD1 no hydrogen 2.852 N/A VAL 163.A N VAL 196.A O no hydrogen 3.023 N/A ASN 164.A N GLU 139.A OE2 no hydrogen 2.891 N/A ASN 164.A ND2 ASP 200.A OD2 no hydrogen 3.043 N/A SER 165.A N ALA 198.A O no hydrogen 2.811 N/A HIS 167.A N ASN 164.A O no hydrogen 2.983 N/A HIS 167.A ND1 GLU 139.A OE2 no hydrogen 2.617 N/A VAL 168.A N SER 165.A O no hydrogen 3.156 N/A LYS 172.A N GLU 176.A OE2 no hydrogen 2.856 N/A LYS 172.A NZ GLY 175.A O no hydrogen 3.151 N/A TYR 178.A N GLU 176.A OE1 no hydrogen 2.863 N/A LYS 182.A N TYR 178.A O no hydrogen 3.129 N/A LYS 182.A NZ LYS 170.A O no hydrogen 2.735 N/A LYS 182.A NZ GLU 176.A OE2 no hydrogen 2.773 N/A LYS 183.A N LYS 179.A O no hydrogen 3.054 N/A LYS 183.A NZ GLU 145.A OE1 no hydrogen 3.401 N/A ARG 184.A N PHE 180.A O no hydrogen 2.960 N/A ARG 184.A NE GLU 145.A OE2 no hydrogen 3.274 N/A ARG 184.A NH1 GLU 139.A O no hydrogen 3.045 N/A ARG 184.A NH1 ASP 142.A OD1 no hydrogen 3.522 N/A ARG 184.A NH2 ASP 142.A OD1 no hydrogen 2.740 N/A ARG 184.A NH2 GLU 145.A OE2 no hydrogen 2.744 N/A ALA 185.A N MET 181.A O no hydrogen 2.981 N/A GLN 186.A N LYS 182.A O no hydrogen 2.826 N/A GLN 186.A NE2 GLU 190.A OE2 no hydrogen 2.920 N/A TYR 187.A N LYS 183.A O no hydrogen 3.084 N/A PHE 188.A N ARG 184.A O no hydrogen 3.087 N/A LEU 189.A N ALA 185.A O no hydrogen 2.992 N/A GLU 190.A N GLN 186.A O no hydrogen 2.909 N/A GLN 191.A N TYR 187.A O no hydrogen 2.976 N/A ASP 192.A N LEU 189.A O no hydrogen 2.975 N/A LEU 193.A N PHE 188.A O no hydrogen 2.854 N/A HIS 195.A N THR 161.A O no hydrogen 3.241 N/A HIS 195.A N THR 161.A OG1 no hydrogen 3.104 N/A VAL 196.A N THR 161.A O no hydrogen 3.079 N/A ILE 197.A N LEU 230.A O no hydrogen 3.049 N/A ALA 198.A N VAL 163.A O no hydrogen 3.173 N/A SER 199.A N ASP 4.A OD1 no hydrogen 2.931 N/A SER 199.A OG ASP 4.A OD1 no hydrogen 3.503 N/A SER 199.A OG ASP 4.A OD2 no hydrogen 2.569 N/A SER 199.A OG HIS 6.A O no hydrogen 3.358 N/A ASP 200.A N HIS 6.A O no hydrogen 2.777 N/A MET 201.A N SER 199.A OG no hydrogen 2.989 N/A HIS 202.A N ARG 207.A O no hydrogen 2.831 N/A HIS 202.A ND1 ASP 200.A O no hydrogen 2.750 N/A ASN 203.A N ARG 207.A O no hydrogen 3.289 N/A GLY 206.A N ASP 205.A OD1 no hydrogen 2.411 N/A ARG 207.A NH1 ASP 15.A OD1 no hydrogen 3.115 N/A HIS 210.A N SER 165.A OG no hydrogen 3.135 N/A HIS 210.A ND1 GLU 213.A OE1 no hydrogen 2.907 N/A ALA 212.A N GLN 33.A OE1 no hydrogen 3.241 N/A ALA 214.A N HIS 210.A O no hydrogen 3.018 N/A TYR 215.A N MET 211.A O no hydrogen 2.843 N/A ASP 216.A N ALA 212.A O no hydrogen 3.034 N/A LEU 217.A N GLU 213.A O no hydrogen 2.951 N/A VAL 218.A N ALA 214.A O no hydrogen 2.956 N/A THR 219.A N TYR 215.A O no hydrogen 2.920 N/A THR 219.A OG1 TYR 215.A O no hydrogen 2.905 N/A GLN 220.A N ASP 216.A O no hydrogen 2.974 N/A LYS 221.A N LEU 217.A O no hydrogen 2.996 N/A LYS 221.A NZ GLU 190.A OE2 no hydrogen 3.493 N/A TYR 222.A N VAL 218.A O no hydrogen 2.750 N/A GLY 223.A N THR 219.A O no hydrogen 2.944 N/A LYS 226.A NZ ASP 192.A OD1 no hydrogen 2.720 N/A LYS 226.A NZ GLU 229.A OE2 no hydrogen 2.791 N/A ALA 227.A N GLY 223.A O no hydrogen 3.302 N/A GLN 228.A N GLU 224.A O no hydrogen 2.848 N/A GLU 229.A N ALA 225.A O no hydrogen 2.950 N/A LEU 230.A N LYS 226.A O no hydrogen 2.970 N/A PHE 231.A N ALA 227.A O no hydrogen 3.062 N/A ILE 232.A N GLN 228.A O no hydrogen 2.962 N/A ASP 233.A N GLN 228.A O no hydrogen 2.818 N/A ASN 234.A N GLU 229.A O no hydrogen 2.901 N/A ASN 234.A ND2 HIS 195.A O no hydrogen 2.887 N/A ASN 234.A ND2 GLU 229.A OE1 no hydrogen 3.058 N/A ARG 236.A N ILE 232.A O no hydrogen 2.842 N/A LYS 237.A N ASP 233.A O no hydrogen 3.066 N/A ILE 238.A N ASN 234.A O no hydrogen 3.096 N/A VAL 239.A N PRO 235.A O no hydrogen 2.996 N/A MET 240.A N ARG 236.A O no hydrogen 2.895 N/A ASP 241.A N ILE 238.A O no hydrogen 3.108 N/A GLN 242.A N LYS 237.A O no hydrogen 2.784 N/A