Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pj3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N TYR 2.A O no hydrogen 3.191 N/A GLU 6.A N GLY 3.A O no hydrogen 3.255 N/A ILE 7.A N VAL 63.A O no hydrogen 2.836 N/A LYS 10.A N ASP 8.A OD2 no hydrogen 2.923 N/A ASP 11.A N ASP 8.A O no hydrogen 2.959 N/A LEU 12.A N PRO 9.A O no hydrogen 3.066 N/A THR 13.A N LYS 27.A O no hydrogen 2.871 N/A LEU 15.A N TYR 25.A O no hydrogen 2.843 N/A LYS 16.A N TYR 25.A O no hydrogen 3.196 N/A LEU 18.A N VAL 23.A O no hydrogen 2.861 N/A GLY 19.A N VAL 23.A O no hydrogen 3.269 N/A VAL 22.A N MET 38.A O no hydrogen 3.142 N/A VAL 23.A N GLY 19.A O no hydrogen 2.793 N/A LYS 24.A N ILE 36.A O no hydrogen 2.738 N/A TYR 25.A N LYS 16.A O no hydrogen 2.624 N/A TYR 25.A OH ASP 33.A OD1 no hydrogen 2.752 N/A GLY 26.A N VAL 34.A O no hydrogen 3.177 N/A LYS 27.A N THR 13.A O no hydrogen 2.902 N/A TRP 28.A N TYR 32.A O no hydrogen 2.749 N/A ARG 29.A N ASP 11.A O no hydrogen 2.640 N/A ARG 29.A NH2 ASP 11.A OD2 no hydrogen 3.526 N/A GLN 31.A N TRP 28.A O no hydrogen 3.233 N/A TYR 32.A N TRP 28.A O no hydrogen 3.156 N/A VAL 34.A N GLY 26.A O no hydrogen 3.110 N/A ALA 35.A N THR 74.A O no hydrogen 2.885 N/A ILE 36.A N LYS 24.A O no hydrogen 2.734 N/A LYS 37.A N ILE 72.A O no hydrogen 2.725 N/A LYS 37.A NZ GLU 45.A OE1 no hydrogen 3.525 N/A MET 38.A N VAL 22.A O no hydrogen 2.652 N/A GLU 44.A N ASP 40.A O no hydrogen 3.236 N/A LYS 47.A N ILE 43.A O no hydrogen 3.285 N/A VAL 48.A N GLU 44.A O no hydrogen 3.234 N/A MET 49.A N GLU 45.A O no hydrogen 2.987 N/A MET 50.A N ALA 46.A O no hydrogen 2.768 N/A ASN 51.A N VAL 48.A O no hydrogen 3.206 N/A ASN 51.A ND2 LYS 47.A O no hydrogen 3.082 N/A LEU 52.A N MET 49.A O no hydrogen 3.400 N/A SER 53.A N TYR 111.A OH no hydrogen 3.053 N/A SER 53.A OG GLN 59.A OE1 no hydrogen 2.675 N/A LYS 56.A N HIS 54.A ND1 no hydrogen 3.032 N/A LYS 56.A NZ ASP 104.A OD2 no hydrogen 2.585 N/A LYS 56.A NZ GLU 107.A OE2 no hydrogen 2.788 N/A LEU 57.A N HIS 54.A O no hydrogen 3.124 N/A VAL 58.A N VAL 137.A O no hydrogen 3.075 N/A GLN 59.A N GLU 75.A OE2 no hydrogen 2.740 N/A GLN 59.A NE2 LEU 60.A O no hydrogen 2.797 N/A TYR 61.A N ILE 73.A O no hydrogen 2.745 N/A GLY 62.A N ILE 73.A O no hydrogen 3.324 N/A VAL 63.A N TRP 5.A O no hydrogen 2.846 N/A CYS 64.A N PHE 71.A O no hydrogen 2.953 N/A CYS 64.A SG ILE 7.A O no hydrogen 3.391 N/A THR 65.A N GLU 6.A OE1 no hydrogen 3.326 N/A THR 65.A OG1 GLU 6.A OE1 no hydrogen 2.443 N/A PHE 71.A N CYS 64.A O no hydrogen 3.042 N/A ILE 72.A N LYS 37.A O no hydrogen 2.904 N/A ILE 73.A N GLY 62.A O no hydrogen 2.985 N/A THR 74.A N ALA 35.A O no hydrogen 2.905 N/A THR 74.A OG1 GLU 75.A O no hydrogen 3.038 N/A GLU 75.A N GLN 59.A O no hydrogen 3.033 N/A ASN 79.A N VAL 129.A O no hydrogen 2.810 N/A ASN 79.A ND2 ASN 130.A O no hydrogen 2.820 N/A GLY 80.A N MET 77.A O no hydrogen 3.056 N/A CYS 81.A SG ASN 84.A OD1 no hydrogen 3.991 N/A CYS 81.A SG ALA 124.A O no hydrogen 3.734 N/A CYS 81.A SG ARG 125.A O no hydrogen 3.414 N/A CYS 81.A SG CYS 127.A O no hydrogen 4.022 N/A LEU 82.A N CYS 127.A O no hydrogen 2.824 N/A TYR 85.A N CYS 81.A O no hydrogen 3.009 N/A LEU 86.A N LEU 82.A O no hydrogen 2.858 N/A ARG 87.A N LEU 83.A O no hydrogen 3.161 N/A ARG 87.A NE GLY 175.A O no hydrogen 2.693 N/A ARG 87.A NH2 GLY 175.A O no hydrogen 2.982 N/A GLU 88.A N ASN 84.A O no hydrogen 2.683 N/A MET 89.A N TYR 85.A O no hydrogen 2.822 N/A ARG 90.A NE LEU 86.A O no hydrogen 2.815 N/A ARG 90.A NH2 LEU 174.A O no hydrogen 2.898 N/A ARG 92.A N MET 89.A O no hydrogen 3.021 N/A GLN 94.A N GLN 97.A OE1 no hydrogen 2.856 N/A GLN 97.A N GLN 94.A O no hydrogen 2.974 N/A LEU 98.A N THR 95.A O no hydrogen 3.232 N/A MET 101.A N GLN 97.A O no hydrogen 3.056 N/A CYS 102.A N LEU 98.A O no hydrogen 3.201 N/A CYS 102.A SG LEU 98.A O no hydrogen 3.479 N/A LYS 103.A N LEU 99.A O no hydrogen 2.854 N/A LYS 103.A NZ GLU 107.A OE1 no hydrogen 2.723 N/A ASP 104.A N GLU 100.A O no hydrogen 2.930 N/A VAL 105.A N MET 101.A O no hydrogen 3.256 N/A CYS 106.A N CYS 102.A O no hydrogen 2.871 N/A CYS 106.A SG PHE 225.A O no hydrogen 3.541 N/A GLU 107.A N LYS 103.A O no hydrogen 2.901 N/A ALA 108.A N ASP 104.A O no hydrogen 3.201 N/A MET 109.A N VAL 105.A O no hydrogen 2.921 N/A GLU 110.A N CYS 106.A O no hydrogen 2.835 N/A TYR 111.A N GLU 107.A O no hydrogen 3.149 N/A LEU 112.A N ALA 108.A O no hydrogen 2.991 N/A GLU 113.A N MET 109.A O no hydrogen 2.785 N/A SER 114.A N GLU 110.A O no hydrogen 2.956 N/A SER 114.A OG TYR 111.A O no hydrogen 2.691 N/A LYS 115.A N TYR 111.A O no hydrogen 3.178 N/A LYS 115.A N LEU 112.A O no hydrogen 2.964 N/A GLN 116.A N GLU 113.A O no hydrogen 2.921 N/A PHE 117.A N LEU 112.A O no hydrogen 2.998 N/A HIS 119.A N ASP 160.A OD2 no hydrogen 2.829 N/A HIS 119.A NE2 SER 138.A O no hydrogen 2.860 N/A ARG 120.A N ASP 160.A OD1 no hydrogen 3.109 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 3.069 N/A ALA 124.A N GLU 170.A OE2 no hydrogen 2.934 N/A ARG 125.A NH2 ASP 121.A OD1 no hydrogen 2.897 N/A ASN 126.A N ALA 123.A O no hydrogen 2.968 N/A ASN 126.A ND2 ASP 121.A O no hydrogen 2.762 N/A CYS 127.A N ALA 124.A O no hydrogen 3.137 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.639 N/A LEU 128.A N LYS 136.A O no hydrogen 2.845 N/A VAL 129.A N GLY 80.A O no hydrogen 2.761 N/A ASN 130.A N VAL 134.A O no hydrogen 3.020 N/A GLN 132.A N ASN 130.A OD1 no hydrogen 2.927 N/A GLY 133.A N ASN 130.A O no hydrogen 2.969 N/A VAL 134.A N ASN 130.A OD1 no hydrogen 2.925 N/A VAL 135.A N ASP 104.A OD1 no hydrogen 3.127 N/A LYS 136.A N LEU 128.A O no hydrogen 2.821 N/A LYS 136.A NZ GLU 55.A O no hydrogen 3.206 N/A LYS 136.A NZ GLU 75.A OE1 no hydrogen 2.909 N/A LYS 136.A NZ GLU 75.A OE2 no hydrogen 3.254 N/A VAL 137.A N LYS 56.A O no hydrogen 2.901 N/A SER 138.A N ASN 126.A O no hydrogen 2.843 N/A VAL 142.A N PHE 140.A O no hydrogen 2.734 N/A ARG 143.A NE ASN 184.A OD1 no hydrogen 3.058 N/A ARG 143.A NH1 PHE 182.A O no hydrogen 2.717 N/A ARG 143.A NH2 PRO 178.A O no hydrogen 2.909 N/A ARG 143.A NH2 TYR 179.A O no hydrogen 2.843 N/A ARG 143.A NH2 PHE 182.A O no hydrogen 3.030 N/A TRP 144.A N PRO 141.A O no hydrogen 3.189 N/A TRP 144.A NE1 GLU 170.A OE2 no hydrogen 2.893 N/A SER 145.A N VAL 142.A O no hydrogen 3.082 N/A SER 145.A OG PRO 141.A O no hydrogen 2.794 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.881 N/A VAL 149.A N PRO 146.A O no hydrogen 3.095 N/A LEU 150.A N PRO 146.A O no hydrogen 3.260 N/A MET 151.A N PRO 147.A O no hydrogen 2.853 N/A TYR 152.A N GLU 148.A O no hydrogen 2.958 N/A SER 153.A N VAL 149.A O no hydrogen 2.902 N/A LYS 154.A N GLU 148.A O no hydrogen 3.168 N/A SER 156.A N SER 159.A OG no hydrogen 2.914 N/A LYS 158.A N SER 156.A OG no hydrogen 3.139 N/A LYS 158.A NZ ARG 222.A O no hydrogen 3.122 N/A LYS 158.A NZ PRO 223.A O no hydrogen 3.179 N/A SER 159.A N SER 156.A O no hydrogen 2.962 N/A SER 159.A OG SER 156.A O no hydrogen 2.606 N/A ILE 161.A N SER 157.A O no hydrogen 3.104 N/A TRP 162.A N LYS 158.A O no hydrogen 3.209 N/A ALA 163.A N SER 159.A O no hydrogen 3.160 N/A PHE 164.A N ASP 160.A O no hydrogen 2.861 N/A GLY 165.A N ILE 161.A O no hydrogen 3.127 N/A VAL 166.A N TRP 162.A O no hydrogen 3.178 N/A LEU 167.A N ALA 163.A O no hydrogen 2.915 N/A MET 168.A N PHE 164.A O no hydrogen 2.870 N/A TRP 169.A N GLY 165.A O no hydrogen 3.019 N/A TRP 169.A NE1 TYR 198.A O no hydrogen 2.729 N/A GLU 170.A N VAL 166.A O no hydrogen 2.814 N/A ILE 171.A N LEU 167.A O no hydrogen 2.898 N/A TYR 172.A N MET 168.A O no hydrogen 2.966 N/A SER 173.A N TRP 169.A O no hydrogen 2.899 N/A SER 173.A OG TRP 169.A O no hydrogen 3.071 N/A SER 173.A OG GLU 170.A O no hydrogen 3.212 N/A LEU 174.A N ILE 171.A O no hydrogen 2.996 N/A GLY 175.A N GLU 170.A O no hydrogen 2.792 N/A LYS 176.A N SER 173.A OG no hydrogen 3.272 N/A PHE 182.A N TYR 179.A O no hydrogen 2.896 N/A THR 183.A N GLU 186.A OE2 no hydrogen 3.033 N/A GLU 186.A N THR 183.A OG1 no hydrogen 3.096 N/A THR 187.A N THR 183.A O no hydrogen 2.941 N/A THR 187.A OG1 THR 183.A O no hydrogen 2.857 N/A ALA 188.A N ASN 184.A O no hydrogen 3.014 N/A GLU 189.A N SER 185.A O no hydrogen 3.179 N/A HIS 190.A N GLU 186.A O no hydrogen 2.897 N/A HIS 190.A ND1 GLU 186.A O no hydrogen 2.767 N/A ILE 191.A N THR 187.A O no hydrogen 2.829 N/A ALA 192.A N ALA 188.A O no hydrogen 3.040 N/A GLN 193.A N GLU 189.A O no hydrogen 3.072 N/A GLY 194.A N ILE 191.A O no hydrogen 2.939 N/A LEU 195.A N HIS 190.A O no hydrogen 2.958 N/A ARG 196.A NE TRP 215.A O no hydrogen 2.883 N/A ARG 196.A NH1 ILE 191.A O no hydrogen 2.996 N/A ARG 196.A NH1 LEU 195.A O no hydrogen 2.963 N/A ARG 196.A NH2 TRP 215.A O no hydrogen 3.037 N/A TYR 198.A OH GLU 180.A OE1 no hydrogen 2.864 N/A ARG 199.A NH1 ALA 203.A O no hydrogen 2.781 N/A ALA 203.A N PRO 200.A O no hydrogen 2.994 N/A SER 204.A OG GLU 239.A OE2 no hydrogen 2.456 N/A LYS 206.A NZ GLU 238.A OE1 no hydrogen 2.721 N/A VAL 207.A N SER 204.A OG no hydrogen 3.225 N/A TYR 208.A N SER 204.A O no hydrogen 2.942 N/A TYR 208.A OH LEU 197.A O no hydrogen 2.617 N/A THR 209.A N GLU 205.A O no hydrogen 2.959 N/A THR 209.A OG1 GLU 205.A O no hydrogen 2.776 N/A ILE 210.A N LYS 206.A O no hydrogen 3.315 N/A MET 211.A N VAL 207.A O no hydrogen 3.203 N/A TYR 212.A N TYR 208.A O no hydrogen 2.779 N/A SER 213.A N THR 209.A O no hydrogen 2.960 N/A SER 213.A OG ILE 210.A O no hydrogen 2.663 N/A CYS 214.A N MET 211.A O no hydrogen 3.038 N/A CYS 214.A SG ILE 210.A O no hydrogen 3.626 N/A TRP 215.A N TYR 212.A O no hydrogen 2.910 N/A LYS 218.A N HIS 216.A ND1 no hydrogen 3.076 N/A GLU 221.A N LYS 218.A O no hydrogen 2.958 N/A ARG 222.A N ALA 219.A O no hydrogen 3.046 N/A ARG 222.A NE HIS 216.A O no hydrogen 2.755 N/A ARG 222.A NH1 GLU 148.A OE2 no hydrogen 2.802 N/A ARG 222.A NH1 LYS 158.A O no hydrogen 3.014 N/A ARG 222.A NH2 GLU 148.A OE1 no hydrogen 2.914 N/A ARG 222.A NH2 GLU 148.A OE2 no hydrogen 3.562 N/A ARG 222.A NH2 HIS 216.A O no hydrogen 3.078 N/A ARG 222.A NH2 GLU 217.A O no hydrogen 3.489 N/A PHE 225.A N GLU 113.A OE2 no hydrogen 2.757 N/A ILE 227.A N THR 224.A OG1 no hydrogen 3.242 N/A LEU 228.A N THR 224.A O no hydrogen 2.914 N/A LEU 229.A N PHE 225.A O no hydrogen 2.871 N/A SER 230.A N LYS 226.A O no hydrogen 3.252 N/A SER 230.A OG ILE 227.A O no hydrogen 2.840 N/A ASN 231.A N ILE 227.A O no hydrogen 2.999 N/A ILE 232.A N LEU 228.A O no hydrogen 2.926 N/A LEU 233.A N LEU 229.A O no hydrogen 2.980 N/A ASP 234.A N SER 230.A O no hydrogen 2.973 N/A VAL 235.A N ASN 231.A O no hydrogen 3.015 N/A MET 236.A N ILE 232.A O no hydrogen 2.860 N/A ASP 237.A N LEU 233.A O no hydrogen 2.962 N/A GLU 238.A N ASP 234.A O no hydrogen 3.104 N/A GLU 239.A N VAL 235.A O no hydrogen 2.776 N/A