Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jjx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH HIS 212.A NE2 no hydrogen 2.743 N/A LYS 4.A N ASP 154.A OD2 no hydrogen 2.819 N/A ARG 5.A N ASP 154.A OD2 no hydrogen 3.431 N/A ARG 5.A NE MET 151.A O no hydrogen 2.497 N/A ARG 5.A NH1 GLU 44.A OE1 no hydrogen 2.179 N/A ARG 5.A NH1 ASP 122.A OD1 no hydrogen 3.300 N/A ARG 5.A NH2 ASP 122.A OD1 no hydrogen 3.542 N/A ARG 5.A NH2 MET 151.A O no hydrogen 3.013 N/A VAL 6.A N GLU 44.A O no hydrogen 2.843 N/A LEU 7.A N ALA 155.A O no hydrogen 3.187 N/A ILE 8.A N SER 46.A O no hydrogen 2.859 N/A LYS 9.A N LEU 157.A O no hydrogen 2.856 N/A LEU 10.A N VAL 48.A O no hydrogen 2.900 N/A ALA 14.A N SER 11.A O no hydrogen 3.190 N/A LEU 15.A N GLY 12.A O no hydrogen 3.036 N/A THR 19.A OG1 GLN 18.A OE1 no hydrogen 2.545 N/A SER 22.A OG ASN 21.A O no hydrogen 2.258 N/A ASN 24.A N LEU 15.A O no hydrogen 2.902 N/A LYS 26.A NZ GLU 29.A OE1 no hydrogen 2.541 N/A ARG 27.A N ASN 24.A OD1 no hydrogen 2.853 N/A LEU 28.A N ASN 24.A O no hydrogen 2.770 N/A GLU 29.A N SER 25.A O no hydrogen 3.118 N/A HIS 30.A N LYS 26.A O no hydrogen 3.054 N/A HIS 30.A NE2 PHE 216.A O no hydrogen 2.902 N/A ILE 31.A N ARG 27.A O no hydrogen 2.961 N/A ALA 32.A N LEU 28.A O no hydrogen 2.998 N/A ASN 33.A N GLU 29.A O no hydrogen 3.015 N/A GLU 34.A N HIS 30.A O no hydrogen 2.979 N/A ILE 35.A N ILE 31.A O no hydrogen 3.095 N/A LEU 36.A N ALA 32.A O no hydrogen 2.913 N/A SER 37.A N ASN 33.A O no hydrogen 2.910 N/A SER 37.A OG GLU 34.A O no hydrogen 2.804 N/A VAL 39.A N ILE 35.A O no hydrogen 3.259 N/A ASP 40.A N LEU 36.A O no hydrogen 2.711 N/A LEU 41.A N ILE 38.A O no hydrogen 3.191 N/A GLY 42.A N VAL 39.A O no hydrogen 2.454 N/A GLU 44.A N LYS 4.A O no hydrogen 2.755 N/A SER 46.A N VAL 6.A O no hydrogen 3.051 N/A ILE 47.A N VAL 127.A O no hydrogen 2.795 N/A VAL 48.A N ILE 8.A O no hydrogen 2.887 N/A GLY 50.A N LEU 10.A O no hydrogen 2.970 N/A ASN 53.A ND2 SER 22.A O no hydrogen 2.820 N/A ASN 53.A ND2 ASN 81.A OD1 no hydrogen 3.359 N/A ILE 54.A N GLY 51.A O no hydrogen 3.157 N/A PHE 55.A N GLY 51.A O no hydrogen 3.158 N/A LEU 59.A N ARG 56.A O no hydrogen 3.188 N/A GLU 61.A N GLY 57.A O no hydrogen 3.123 N/A TRP 63.A N LEU 59.A O no hydrogen 2.957 N/A GLY 64.A N GLU 61.A O no hydrogen 2.934 N/A ILE 65.A N ALA 60.A O no hydrogen 2.670 N/A ARG 67.A NE ASP 71.A OD1 no hydrogen 3.329 N/A ARG 67.A NH2 ASP 71.A OD1 no hydrogen 3.019 N/A ARG 67.A NH2 ASP 71.A OD2 no hydrogen 2.954 N/A ALA 70.A N ASP 66.A O no hydrogen 2.817 N/A ASP 71.A N ARG 67.A O no hydrogen 3.091 N/A ASN 72.A N VAL 68.A O no hydrogen 3.306 N/A ILE 73.A N GLU 69.A O no hydrogen 3.197 N/A GLY 74.A N ALA 70.A O no hydrogen 2.919 N/A THR 75.A N ASP 71.A O no hydrogen 2.738 N/A THR 75.A OG1 ASP 71.A O no hydrogen 2.819 N/A LEU 76.A N ILE 73.A O no hydrogen 2.968 N/A GLY 77.A N ILE 73.A O no hydrogen 3.359 N/A THR 78.A OG1 THR 75.A O no hydrogen 2.831 N/A ILE 79.A N LEU 76.A O no hydrogen 3.227 N/A ILE 80.A N LEU 76.A O no hydrogen 3.150 N/A ASN 81.A N GLY 77.A O no hydrogen 3.057 N/A ASN 81.A ND2 GLY 50.A O no hydrogen 2.830 N/A ASN 81.A ND2 ASN 53.A OD1 no hydrogen 2.763 N/A SER 82.A N THR 78.A O no hydrogen 2.941 N/A SER 82.A OG THR 78.A O no hydrogen 2.788 N/A LEU 83.A N ILE 79.A O no hydrogen 2.969 N/A MET 84.A N ILE 80.A O no hydrogen 2.967 N/A LEU 85.A N ASN 81.A O no hydrogen 2.874 N/A ARG 86.A N SER 82.A O no hydrogen 2.844 N/A GLY 87.A N LEU 83.A O no hydrogen 3.074 N/A VAL 88.A N MET 84.A O no hydrogen 3.070 N/A LEU 89.A N LEU 85.A O no hydrogen 2.810 N/A THR 90.A N ARG 86.A O no hydrogen 2.837 N/A THR 90.A OG1 ARG 86.A O no hydrogen 2.941 N/A SER 91.A N GLY 87.A O no hydrogen 3.125 N/A SER 91.A OG VAL 88.A O no hydrogen 2.741 N/A LYS 92.A N LEU 89.A O no hydrogen 3.145 N/A LYS 92.A NZ ASN 33.A OD1 no hydrogen 3.342 N/A THR 93.A N LEU 89.A O no hydrogen 2.963 N/A ARG 98.A N ILE 126.A O no hydrogen 2.584 N/A ARG 98.A NE GLU 96.A OE1 no hydrogen 2.880 N/A ARG 98.A NH1 GLU 110.A OE2 no hydrogen 2.965 N/A ARG 98.A NH2 GLU 96.A OE1 no hydrogen 3.220 N/A MET 100.A N ILE 128.A O no hydrogen 2.787 N/A THR 101.A N GLU 110.A O no hydrogen 2.937 N/A THR 101.A OG1 ILE 103.A O no hydrogen 3.180 N/A THR 101.A OG1 GLU 110.A O no hydrogen 3.558 N/A SER 102.A N GLY 130.A O no hydrogen 3.297 N/A SER 102.A OG GLY 130.A O no hydrogen 3.284 N/A SER 102.A OG GLY 131.A O no hydrogen 2.378 N/A GLU 110.A N VAL 99.A O no hydrogen 3.029 N/A TYR 112.A N THR 101.A O no hydrogen 2.728 N/A TYR 112.A OH GLU 150.A OE2 no hydrogen 3.271 N/A ARG 114.A NE GLU 150.A O no hydrogen 2.696 N/A ARG 116.A NE GLU 110.A OE1 no hydrogen 3.484 N/A ALA 117.A N ILE 113.A O no hydrogen 2.890 N/A VAL 118.A N ARG 114.A O no hydrogen 2.868 N/A HIS 119.A N LEU 115.A O no hydrogen 3.038 N/A HIS 120.A N ARG 116.A O no hydrogen 2.924 N/A HIS 120.A NE2 GLU 110.A OE1 no hydrogen 3.228 N/A LEU 121.A N ALA 117.A O no hydrogen 3.095 N/A ASP 122.A N VAL 118.A O no hydrogen 2.847 N/A ASN 123.A N HIS 119.A O no hydrogen 2.783 N/A GLY 124.A N LEU 121.A O no hydrogen 2.965 N/A TYR 125.A N HIS 120.A O no hydrogen 3.105 N/A ILE 126.A N GLU 96.A O no hydrogen 2.651 N/A VAL 127.A N VAL 45.A O no hydrogen 3.226 N/A ILE 128.A N ARG 98.A O no hydrogen 2.767 N/A PHE 129.A N ILE 47.A O no hydrogen 2.840 N/A GLY 130.A N MET 100.A O no hydrogen 3.113 N/A GLY 131.A N THR 78.A OG1 no hydrogen 2.610 N/A ASN 133.A ND2 GLN 146.A OE1 no hydrogen 2.884 N/A GLY 134.A N GLY 131.A O no hydrogen 3.098 N/A GLN 135.A NE2 ASN 133.A O no hydrogen 3.514 N/A PHE 137.A N ASP 71.A OD2 no hydrogen 2.952 N/A SER 144.A N THR 140.A O no hydrogen 3.327 N/A SER 144.A OG THR 140.A O no hydrogen 3.216 N/A SER 144.A OG ASP 141.A O no hydrogen 2.587 N/A VAL 145.A N ASP 141.A O no hydrogen 3.132 N/A GLN 146.A N TYR 142.A O no hydrogen 2.959 N/A ARG 147.A N PRO 143.A O no hydrogen 2.964 N/A ARG 147.A NE GLU 150.A OE1 no hydrogen 3.100 N/A ALA 148.A N SER 144.A O no hydrogen 2.975 N/A ILE 149.A N VAL 145.A O no hydrogen 2.977 N/A GLU 150.A N GLN 146.A O no hydrogen 2.929 N/A MET 151.A N ARG 147.A O no hydrogen 2.956 N/A MET 151.A N ALA 148.A O no hydrogen 2.971 N/A ASN 152.A N ILE 149.A O no hydrogen 2.838 N/A SER 153.A N ALA 148.A O no hydrogen 2.993 N/A SER 153.A OG ALA 148.A O no hydrogen 3.134 N/A ASP 154.A N ARG 5.A O no hydrogen 2.734 N/A ILE 156.A N PRO 210.A O no hydrogen 2.809 N/A LEU 157.A N LEU 7.A O no hydrogen 2.866 N/A VAL 158.A N HIS 212.A O no hydrogen 2.676 N/A ALA 159.A N LYS 9.A O no hydrogen 3.021 N/A LYS 160.A N PHE 214.A O no hydrogen 2.845 N/A LYS 160.A NZ VAL 195.A O no hydrogen 3.500 N/A GLY 162.A N ASN 215.A OD1 no hydrogen 2.838 N/A VAL 166.A N THR 233.A OG1 no hydrogen 2.855 N/A THR 168.A N LYS 178.A O no hydrogen 2.761 N/A THR 168.A OG1 LYS 178.A O no hydrogen 3.095 N/A ASN 174.A N ASP 170.A O no hydrogen 2.978 N/A ASN 174.A ND2 SER 169.A OG no hydrogen 2.364 N/A LYS 175.A N HIS 173.A O no hydrogen 2.474 N/A LYS 178.A N THR 168.A OG1 no hydrogen 2.514 N/A TYR 180.A N VAL 166.A O no hydrogen 2.830 N/A ARG 181.A NH1 GLY 232.A O no hydrogen 3.360 N/A LYS 182.A NZ ASP 238.A OD2 no hydrogen 3.519 N/A LEU 183.A N LEU 234.A O no hydrogen 2.991 N/A ASN 184.A N SER 240.A OG no hydrogen 3.398 N/A TYR 185.A N ASN 236.A O no hydrogen 3.048 N/A TYR 185.A OH LEU 209.A O no hydrogen 2.470 N/A VAL 188.A N ASN 184.A O no hydrogen 3.101 N/A VAL 188.A N TYR 185.A O no hydrogen 2.421 N/A VAL 189.A N TYR 185.A O no hydrogen 3.320 N/A ARG 190.A N ASN 186.A O no hydrogen 2.940 N/A ARG 190.A NH1 ASP 187.A OD1 no hydrogen 2.880 N/A GLN 191.A N ASP 187.A O no hydrogen 2.928 N/A ASN 192.A N VAL 189.A O no hydrogen 2.960 N/A ILE 193.A N VAL 188.A O no hydrogen 2.686 N/A GLN 194.A NE2 ASN 192.A OD1 no hydrogen 3.165 N/A ASP 197.A N ASP 141.A OD2 no hydrogen 2.971 N/A LEU 201.A N ASP 197.A O no hydrogen 2.986 N/A LEU 202.A N GLN 198.A O no hydrogen 2.762 N/A LEU 203.A N ALA 199.A O no hydrogen 3.241 N/A ALA 204.A N ALA 200.A O no hydrogen 3.051 N/A ARG 205.A N LEU 201.A O no hydrogen 2.899 N/A ARG 205.A NE ASN 186.A OD1 no hydrogen 3.133 N/A ARG 205.A NH1 ASP 206.A OD1 no hydrogen 2.575 N/A ARG 205.A NH2 ASN 186.A OD1 no hydrogen 3.452 N/A ASP 206.A N LEU 202.A O no hydrogen 2.746 N/A TYR 207.A N LEU 203.A O no hydrogen 2.960 N/A ASN 208.A N ARG 205.A O no hydrogen 3.422 N/A ALA 211.A N ILE 235.A O no hydrogen 3.203 N/A HIS 212.A N ILE 156.A O no hydrogen 2.866 N/A HIS 212.A NE2 TYR 3.A OH no hydrogen 2.743 N/A VAL 213.A N THR 233.A O no hydrogen 2.989 N/A PHE 216.A N LYS 160.A O no hydrogen 2.661 N/A GLU 218.A N ASN 215.A O no hydrogen 3.175 N/A GLY 220.A N GLU 34.A OE1 no hydrogen 3.299 N/A VAL 221.A N GLU 218.A O no hydrogen 3.325 N/A ARG 223.A N GLY 220.A O no hydrogen 2.790 N/A ARG 224.A N GLY 220.A O no hydrogen 3.127 N/A ILE 225.A N VAL 221.A O no hydrogen 3.008 N/A CYS 226.A N MET 222.A O no hydrogen 3.390 N/A CYS 226.A SG MET 222.A O no hydrogen 3.479 N/A LEU 227.A N ARG 223.A O no hydrogen 2.660 N/A GLY 228.A N ILE 225.A O no hydrogen 3.166 N/A GLU 229.A N ARG 224.A O no hydrogen 2.874 N/A THR 233.A N VAL 213.A O no hydrogen 2.787 N/A THR 233.A OG1 TYR 180.A O no hydrogen 2.584 N/A LEU 234.A N ARG 181.A O no hydrogen 3.111 N/A ILE 235.A N ALA 211.A O no hydrogen 2.828 N/A ASN 236.A N LEU 183.A O no hydrogen 2.794 N/A SER 240.A OG ASP 187.A OD2 no hydrogen 2.700 N/A LEU 241.A N LYS 182.A O no hydrogen 3.074 N/A VAL 243.A N MET 179.A O no hydrogen 2.824 N/A