Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 LEU 177.A O no hydrogen 3.086 N/A ARG 2.A NH1 ARG 179.A O no hydrogen 3.066 N/A ARG 2.A NH2 ARG 179.A O no hydrogen 3.551 N/A ARG 2.A NH2 THR 180.A OG1 no hydrogen 2.874 N/A ARG 2.A NH2 SER 256.A OG no hydrogen 2.882 N/A HIS 4.A N LEU 101.A O no hydrogen 3.415 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.861 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.753 N/A LEU 6.A N CYS 99.A O no hydrogen 2.893 N/A ARG 7.A N TYR 28.A O no hydrogen 3.037 N/A ARG 7.A NH1 ASP 30.A O no hydrogen 2.857 N/A ARG 7.A NH2 ASP 30.A O no hydrogen 2.617 N/A TYR 8.A N ILE 97.A O no hydrogen 2.845 N/A PHE 9.A N VAL 26.A O no hydrogen 2.867 N/A ARG 10.A N ARG 95.A O no hydrogen 2.883 N/A LEU 11.A N ILE 24.A O no hydrogen 2.823 N/A GLY 12.A N TYR 93.A O no hydrogen 2.799 N/A VAL 13.A N GLU 22.A O no hydrogen 2.892 N/A SER 14.A N HIS 91.A O no hydrogen 3.080 N/A SER 14.A OG GLN 82.A OE1 no hydrogen 3.037 N/A SER 14.A OG GLY 89.A O no hydrogen 3.196 N/A SER 14.A OG HIS 91.A O no hydrogen 3.192 N/A GLU 22.A N SER 39.A OG no hydrogen 2.805 N/A PHE 23.A N SER 39.A OG no hydrogen 3.130 N/A ILE 24.A N LEU 11.A O no hydrogen 2.989 N/A SER 25.A N TYR 37.A O no hydrogen 2.759 N/A SER 25.A OG PHE 9.A O no hydrogen 2.972 N/A VAL 26.A N PHE 9.A O no hydrogen 3.079 N/A GLY 27.A N THR 35.A O no hydrogen 3.169 N/A TYR 28.A N ARG 7.A O no hydrogen 2.655 N/A VAL 29.A N HIS 32.A O no hydrogen 2.885 N/A ASP 30.A N SER 5.A O no hydrogen 2.814 N/A HIS 32.A N VAL 29.A O no hydrogen 2.943 N/A HIS 32.A NE2 TYR 207.A OH no hydrogen 2.724 N/A ILE 34.A N GLY 27.A O no hydrogen 2.670 N/A THR 35.A N GLY 27.A O no hydrogen 3.495 N/A THR 36.A N GLU 45.A O no hydrogen 2.959 N/A TYR 37.A N SER 25.A O no hydrogen 2.930 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.560 N/A SER 39.A N PHE 23.A O no hydrogen 2.952 N/A SER 39.A OG PHE 23.A O no hydrogen 3.505 N/A VAL 40.A N ASP 38.A OD2 no hydrogen 2.850 N/A THR 41.A N ASP 38.A OD2 no hydrogen 3.129 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.214 N/A THR 41.A OG1 GLU 45.A OE1 no hydrogen 3.513 N/A ARG 42.A N ASP 38.A O no hydrogen 2.874 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.273 N/A LYS 44.A N THR 64.A OG1 no hydrogen 3.261 N/A LYS 44.A NZ HIS 59.A NE2 no hydrogen 3.112 N/A GLU 45.A N THR 36.A O no hydrogen 2.891 N/A ARG 47.A N ILE 34.A O no hydrogen 2.933 N/A MET 51.A N ALA 48.A O no hydrogen 3.311 N/A ALA 52.A N ALA 48.A O no hydrogen 3.367 N/A GLU 53.A N PRO 49.A O no hydrogen 2.779 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.754 N/A LEU 55.A N MET 51.A O no hydrogen 2.996 N/A HIS 59.A N ALA 56.A O no hydrogen 2.933 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 2.974 N/A GLU 61.A N PRO 57.A O no hydrogen 2.796 N/A ARG 62.A N ASP 58.A O no hydrogen 2.890 N/A ARG 62.A NE ASP 58.A OD2 no hydrogen 2.769 N/A TYR 63.A N HIS 59.A O no hydrogen 2.957 N/A THR 64.A N TRP 60.A O no hydrogen 3.024 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.521 N/A LEU 66.A N ARG 62.A O no hydrogen 3.206 N/A LEU 67.A N TYR 63.A O no hydrogen 2.976 N/A ARG 68.A N THR 64.A O no hydrogen 2.777 N/A ARG 68.A NE ARG 42.A O no hydrogen 2.932 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 2.999 N/A GLY 69.A N GLN 65.A O no hydrogen 3.118 N/A TRP 70.A N LEU 66.A O no hydrogen 2.749 N/A GLN 71.A N LEU 67.A O no hydrogen 2.747 N/A GLN 72.A N ARG 68.A O no hydrogen 3.467 N/A MET 73.A N GLY 69.A O no hydrogen 3.243 N/A PHE 74.A N TRP 70.A O no hydrogen 3.147 N/A LYS 75.A N GLN 71.A O no hydrogen 3.312 N/A LYS 75.A NZ GLU 22.A OE1 no hydrogen 3.263 N/A LYS 75.A NZ GLU 22.A OE2 no hydrogen 3.055 N/A VAL 76.A N GLN 72.A O no hydrogen 3.203 N/A GLU 77.A N MET 73.A O no hydrogen 2.833 N/A LEU 78.A N PHE 74.A O no hydrogen 2.977 N/A LYS 79.A N LYS 75.A O no hydrogen 3.101 N/A ARG 80.A N VAL 76.A O no hydrogen 2.948 N/A LEU 81.A N GLU 77.A O no hydrogen 3.109 N/A GLN 82.A N LEU 78.A O no hydrogen 3.116 N/A GLN 82.A NE2 HIS 87.A O no hydrogen 3.448 N/A GLN 82.A NE2 GLY 89.A O no hydrogen 3.501 N/A ARG 83.A N LYS 79.A O no hydrogen 3.067 N/A HIS 84.A N ARG 80.A O no hydrogen 3.133 N/A TYR 85.A N LEU 81.A O no hydrogen 2.862 N/A TYR 85.A OH ASP 134.A OD1 no hydrogen 2.464 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 3.062 N/A ASN 86.A N ARG 83.A O no hydrogen 3.316 N/A HIS 87.A N GLN 82.A O no hydrogen 2.964 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 2.697 N/A SER 90.A OG SER 14.A O no hydrogen 2.356 N/A SER 90.A OG ASP 15.A O no hydrogen 3.181 N/A HIS 91.A N SER 14.A OG no hydrogen 2.826 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.825 N/A HIS 91.A NE2 SER 88.A O no hydrogen 2.895 N/A THR 92.A N ASP 116.A OD1 no hydrogen 3.165 N/A TYR 93.A N GLY 12.A O no hydrogen 2.862 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.803 N/A GLN 94.A N ALA 114.A O no hydrogen 3.044 N/A ARG 95.A N ARG 10.A O no hydrogen 3.064 N/A ARG 95.A NE TYR 113.A OH no hydrogen 2.822 N/A MET 96.A N GLN 112.A O no hydrogen 2.995 N/A ILE 97.A N TYR 8.A O no hydrogen 2.923 N/A GLY 98.A N PHE 110.A O no hydrogen 3.079 N/A CYS 99.A N LEU 6.A O no hydrogen 2.842 N/A GLU 100.A N THR 108.A O no hydrogen 3.000 N/A LEU 101.A N HIS 4.A O no hydrogen 3.040 N/A LEU 102.A N SER 106.A O no hydrogen 2.934 N/A GLY 105.A N LEU 102.A O no hydrogen 3.249 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 2.798 N/A THR 108.A N GLU 100.A O no hydrogen 3.080 N/A PHE 110.A N GLY 98.A O no hydrogen 2.852 N/A GLN 112.A N MET 96.A O no hydrogen 2.989 N/A TYR 113.A N LEU 121.A O no hydrogen 2.816 N/A ALA 114.A N GLN 94.A O no hydrogen 2.898 N/A TYR 115.A N GLN 118.A O no hydrogen 3.006 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 2.697 N/A ASP 116.A N THR 92.A O no hydrogen 2.950 N/A GLN 118.A N TYR 115.A O no hydrogen 3.431 N/A PHE 120.A N TYR 113.A O no hydrogen 2.818 N/A LEU 121.A N TYR 113.A O no hydrogen 3.207 N/A ILE 122.A N LEU 131.A O no hydrogen 3.051 N/A PHE 123.A N LEU 111.A O no hydrogen 2.898 N/A ASN 124.A N SER 129.A O no hydrogen 2.824 N/A THR 127.A N ASN 124.A O no hydrogen 3.399 N/A THR 127.A N ASN 124.A OD1 no hydrogen 2.956 N/A THR 127.A OG1 ASN 124.A OD1 no hydrogen 2.709 N/A THR 127.A OG1 SER 129.A OG no hydrogen 3.043 N/A LEU 128.A N ASN 124.A O no hydrogen 2.823 N/A SER 129.A N ASN 124.A O no hydrogen 3.260 N/A SER 129.A OG THR 127.A OG1 no hydrogen 3.043 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.876 N/A LEU 131.A N ILE 122.A O no hydrogen 2.834 N/A VAL 133.A N PHE 120.A O no hydrogen 3.419 N/A VAL 136.A N ASP 134.A OD2 no hydrogen 2.875 N/A ALA 137.A N ASP 134.A OD2 no hydrogen 2.989 N/A HIS 138.A N ASP 134.A O no hydrogen 2.820 N/A THR 139.A N ASN 135.A O no hydrogen 3.143 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.061 N/A ILE 140.A N VAL 136.A O no hydrogen 3.241 N/A LYS 141.A N ALA 137.A O no hydrogen 2.813 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.767 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 3.435 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.677 N/A GLN 142.A N HIS 138.A O no hydrogen 3.027 N/A ALA 143.A N THR 139.A O no hydrogen 3.365 N/A ALA 143.A N ILE 140.A O no hydrogen 2.968 N/A TRP 144.A N ILE 140.A O no hydrogen 2.892 N/A GLU 145.A N LYS 141.A O no hydrogen 2.842 N/A ALA 146.A N ALA 143.A O no hydrogen 3.255 N/A ASN 147.A N TRP 144.A O no hydrogen 3.382 N/A GLU 150.A N ASN 147.A O no hydrogen 3.281 N/A LEU 152.A N GLN 148.A O no hydrogen 3.084 N/A TYR 153.A N HIS 149.A O no hydrogen 3.093 N/A GLN 154.A N GLU 150.A O no hydrogen 2.955 N/A GLN 154.A NE2 GLU 150.A OE2 no hydrogen 3.219 N/A LYS 155.A N LEU 151.A O no hydrogen 2.935 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.717 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.567 N/A ASN 156.A N LEU 152.A O no hydrogen 2.914 N/A TRP 157.A N TYR 153.A O no hydrogen 2.819 N/A LEU 158.A N GLN 154.A O no hydrogen 2.855 N/A GLU 159.A N LYS 155.A O no hydrogen 2.959 N/A GLU 160.A N ASN 156.A O no hydrogen 2.708 N/A GLU 161.A N ASN 156.A O no hydrogen 3.379 N/A CYS 162.A N TRP 157.A O no hydrogen 2.681 N/A ALA 164.A N GLU 160.A O no hydrogen 3.397 N/A TRP 165.A N GLU 161.A O no hydrogen 3.325 N/A LEU 166.A N CYS 162.A O no hydrogen 2.961 N/A LYS 167.A N ILE 163.A O no hydrogen 2.970 N/A ARG 168.A N ALA 164.A O no hydrogen 2.880 N/A ARG 168.A NE TYR 172.A OH no hydrogen 2.760 N/A PHE 169.A N TRP 165.A O no hydrogen 2.841 N/A LEU 170.A N LEU 166.A O no hydrogen 2.870 N/A GLU 171.A N LYS 167.A O no hydrogen 3.315 N/A GLU 171.A N ARG 168.A O no hydrogen 3.033 N/A TYR 172.A N ARG 168.A O no hydrogen 3.090 N/A GLY 173.A N PHE 169.A O no hydrogen 2.916 N/A LYS 174.A N GLU 171.A O no hydrogen 3.444 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 3.008 N/A THR 176.A N GLY 173.A O no hydrogen 2.872 N/A LEU 177.A N GLY 173.A O no hydrogen 2.910 N/A GLN 178.A N LYS 174.A O no hydrogen 2.941 N/A GLN 178.A NE2 LEU 170.A O no hydrogen 3.375 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.798 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.895 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 3.145 N/A ARG 179.A NH2 GLY 237.A O no hydrogen 2.880 N/A GLU 181.A N TYR 207.A O no hydrogen 2.699 N/A LEU 184.A N HIS 204.A O no hydrogen 2.824 N/A ARG 186.A N LYS 202.A O no hydrogen 2.919 N/A ASN 188.A N PHE 200.A O no hydrogen 2.978 N/A LYS 190.A N ALA 198.A O no hydrogen 3.143 N/A THR 192.A N VAL 196.A O no hydrogen 2.722 N/A THR 192.A OG1 VAL 196.A O no hydrogen 2.807 N/A VAL 196.A N PHE 193.A O no hydrogen 2.799 N/A ALA 198.A N LYS 190.A O no hydrogen 2.863 N/A LEU 199.A N ILE 245.A O no hydrogen 2.980 N/A PHE 200.A N ASN 188.A O no hydrogen 2.918 N/A CYS 201.A N ALA 243.A O no hydrogen 2.909 N/A LYS 202.A N ARG 186.A O no hydrogen 2.901 N/A ALA 203.A N ALA 241.A O no hydrogen 2.922 N/A HIS 204.A N LEU 184.A O no hydrogen 3.111 N/A PHE 206.A N TYR 239.A O no hydrogen 3.344 N/A TYR 207.A N GLU 181.A O no hydrogen 3.059 N/A TYR 207.A OH HIS 32.A NE2 no hydrogen 2.724 N/A TYR 212.A N GLU 254.A O no hydrogen 2.944 N/A THR 214.A N HIS 252.A O no hydrogen 3.091 N/A TRP 215.A NE1 ALA 243.A O no hydrogen 3.042 N/A MET 216.A N SER 250.A O no hydrogen 2.999 N/A LYS 217.A N GLU 220.A O no hydrogen 3.020 N/A ASN 218.A N LEU 248.A O no hydrogen 2.992 N/A GLU 220.A N LYS 217.A O no hydrogen 3.160 N/A ASP 227.A N SER 244.A O no hydrogen 2.861 N/A GLY 229.A N TRP 242.A O no hydrogen 2.828 N/A LEU 232.A N GLN 240.A O no hydrogen 2.809 N/A SER 234.A N THR 238.A O no hydrogen 2.840 N/A SER 234.A OG GLN 240.A OE1 no hydrogen 3.230 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.287 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.588 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.457 N/A TYR 239.A N PHE 206.A O no hydrogen 2.733 N/A GLN 240.A N LEU 232.A O no hydrogen 2.948 N/A ALA 241.A N ALA 203.A O no hydrogen 2.892 N/A ALA 243.A N CYS 201.A O no hydrogen 3.084 N/A SER 244.A N ASP 227.A O no hydrogen 3.029 N/A ILE 245.A N LEU 199.A O no hydrogen 3.195 N/A LEU 247.A N THR 197.A O no hydrogen 2.911 N/A SER 250.A N MET 216.A O no hydrogen 2.959 N/A SER 250.A OG HIS 252.A NE2 no hydrogen 3.249 N/A CYS 251.A N LEU 262.A O no hydrogen 2.737 N/A CYS 251.A SG THR 214.A O no hydrogen 3.909 N/A HIS 252.A N THR 214.A O no hydrogen 2.892 N/A HIS 252.A ND1 HIS 259.A NE2 no hydrogen 2.920 N/A VAL 253.A N MET 260.A O no hydrogen 2.850 N/A GLU 254.A N TYR 212.A O no hydrogen 2.812 N/A HIS 255.A N VAL 258.A O no hydrogen 3.038 N/A HIS 255.A NE2 PRO 208.A O no hydrogen 3.078 N/A VAL 258.A N HIS 255.A O no hydrogen 3.123 N/A HIS 259.A NE2 HIS 252.A ND1 no hydrogen 2.920 N/A MET 260.A N VAL 253.A O no hydrogen 2.699 N/A LEU 262.A N CYS 251.A O no hydrogen 2.628 N/A VAL 264.A N TYR 249.A O no hydrogen 3.075 N/A