Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1spj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N SER 134.A O no hydrogen 2.916 N/A ILE 1.A N ASP 187.A OD2 no hydrogen 2.719 N/A VAL 2.A N ASP 182.A O no hydrogen 2.834 N/A TRP 5.A N CYS 148.A O no hydrogen 2.905 N/A CYS 7.A N LEU 146.A O no hydrogen 2.962 N/A CYS 7.A SG LEU 146.A O no hydrogen 3.586 N/A SER 11.A N GLU 8.A O no hydrogen 3.063 N/A SER 11.A OG GLU 8.A O no hydrogen 2.750 N/A GLN 12.A NE2 SER 11.A OG no hydrogen 2.908 N/A GLN 15.A N GLN 12.A O no hydrogen 2.949 N/A GLN 15.A NE2 ALA 16.A O no hydrogen 3.082 N/A ALA 16.A N GLY 28.A O no hydrogen 2.865 N/A ALA 17.A N TRP 50.A O no hydrogen 2.913 N/A LEU 18.A N CYS 26.A O no hydrogen 2.820 N/A TYR 19.A N GLN 48.A O no hydrogen 2.816 N/A HIS 20.A N THR 23.A O no hydrogen 2.962 N/A HIS 20.A NE2 CYS 42.A O no hydrogen 2.788 N/A PHE 21.A N ASN 46.A O no hydrogen 3.135 N/A THR 23.A N HIS 20.A O no hydrogen 3.070 N/A GLN 25.A N LEU 18.A O no hydrogen 2.917 N/A CYS 26.A N LEU 18.A O no hydrogen 3.033 N/A GLY 27.A N SER 188.A O.A no hydrogen 2.798 N/A GLY 27.A N SER 188.A O.B no hydrogen 2.871 N/A ILE 29.A N LEU 37.A O no hydrogen 2.757 N/A LEU 30.A N TRP 14.A O no hydrogen 2.853 N/A VAL 31.A N TRP 35.A O no hydrogen 3.011 N/A ARG 33.A NE THR 106.A OG1 no hydrogen 3.259 N/A GLN 34.A N HIS 32.A ND1 no hydrogen 2.936 N/A GLN 34.A NE2 LEU 100.A O no hydrogen 2.977 N/A TRP 35.A N HIS 32.A O no hydrogen 3.088 N/A VAL 36.A N LEU 98.A O no hydrogen 2.928 N/A LEU 37.A N ILE 29.A O no hydrogen 2.743 N/A THR 38.A N MET 96.A O no hydrogen 2.887 N/A THR 38.A OG1 GLY 27.A O no hydrogen 2.781 N/A ALA 39.A N THR 38.A OG1 no hydrogen 2.709 N/A HIS 41.A N ASP 94.A OD1 no hydrogen 2.825 N/A HIS 41.A ND1 ASP 94.A OD2 no hydrogen 2.612 N/A HIS 41.A NE2 SER 188.A OG.B no hydrogen 2.843 N/A CYS 42.A N ALA 39.A O no hydrogen 2.946 N/A ILE 43.A N ALA 40.A O no hydrogen 3.054 N/A SER 44.A N TYR 47.A OH no hydrogen 3.146 N/A SER 44.A OG ASN 46.A O no hydrogen 3.248 N/A ASN 46.A N SER 44.A OG no hydrogen 3.052 N/A TYR 47.A OH SER 71.A OG no hydrogen 2.724 N/A GLN 48.A N TYR 19.A O no hydrogen 3.100 N/A TRP 50.A N ALA 17.A O no hydrogen 2.925 N/A LEU 51.A N GLN 64.A O no hydrogen 2.889 N/A ARG 53.A NE GLU 60.A OE1 no hydrogen 2.832 N/A ARG 53.A NH2 ASN 55.A O no hydrogen 3.051 N/A HIS 54.A N GLU 60.A OE1 no hydrogen 2.964 N/A HIS 54.A NE2 GLU 6.A OE2 no hydrogen 2.710 N/A ASN 55.A N GLU 60.A OE2 no hydrogen 2.854 N/A ASN 55.A ND2 ASP 145.A OD1 no hydrogen 2.993 N/A LEU 56.A N ASP 144.A O no hydrogen 2.859 N/A PHE 57.A N ASN 55.A OD1 no hydrogen 2.989 N/A ASP 58.A N ASN 55.A O no hydrogen 3.421 N/A THR 62.A OG1 GLY 52.A O no hydrogen 2.748 N/A ALA 63.A N GLU 60.A O no hydrogen 3.114 N/A GLN 64.A N LEU 51.A O no hydrogen 2.901 N/A GLN 64.A NE2 ASP 105.A O no hydrogen 2.883 N/A VAL 66.A N LEU 49.A O no hydrogen 2.990 N/A SER 69.A N ARG 99.A O no hydrogen 2.768 N/A SER 69.A OG ARG 99.A O no hydrogen 3.441 N/A SER 71.A OG TYR 47.A OH no hydrogen 2.724 N/A PHE 72.A N LEU 97.A O no hydrogen 2.717 N/A HIS 74.A N LEU 95.A O no hydrogen 2.920 N/A GLY 76.A N HIS 74.A ND1 no hydrogen 2.925 N/A PHE 77.A N HIS 74.A O no hydrogen 3.159 N/A GLU 89.A N ARG 85I.A O no hydrogen 3.422 N/A TYR 91.A OH GLU 89.A OE1 no hydrogen 3.311 N/A SER 92.A N ASP 90.A OD1 no hydrogen 2.998 N/A SER 92.A OG ASP 90.A OD1 no hydrogen 2.639 N/A SER 92.A OG THR 168.A OG1 no hydrogen 2.838 N/A HIS 93.A ND1 TYR 224.A OH no hydrogen 2.605 N/A LEU 95.A N HIS 93.A O no hydrogen 2.821 N/A MET 96.A N THR 38.A O no hydrogen 2.837 N/A LEU 97.A N PHE 72.A O no hydrogen 2.975 N/A LEU 98.A N VAL 36.A O no hydrogen 2.763 N/A ARG 99.A N GLU 70.A O no hydrogen 3.160 N/A ARG 99.A NE ASN 235.A O no hydrogen 3.282 N/A ARG 99.A NH1 SER 69.A OG no hydrogen 2.957 N/A ARG 99.A NH2 SER 236.A O no hydrogen 3.299 N/A LEU 100.A N GLN 34.A O no hydrogen 2.859 N/A THR 101.A N HIS 67.A O no hydrogen 2.881 N/A ALA 104.A N ARG 33.A O no hydrogen 2.777 N/A ASP 105.A N GLN 64.A OE1 no hydrogen 3.004 N/A ALA 110.A N THR 108.A OG1 no hydrogen 3.308 N/A LYS 112.A N PRO 13.A O no hydrogen 3.112 N/A LYS 112.A NZ ASP 109.A OD1 no hydrogen 3.398 N/A VAL 114.A N LEU 30.A O no hydrogen 2.960 N/A GLY 124.A N ILE 153.A O no hydrogen 2.722 N/A SER 125.A N GLU 122.A O no hydrogen 3.051 N/A SER 125.A OG GLU 122.A O no hydrogen 2.709 N/A CYS 127.A N LEU 151.A O no hydrogen 2.670 N/A LEU 128.A N MET 193.A O no hydrogen 2.760 N/A ALA 129.A N VAL 149.A O no hydrogen 2.958 N/A SER 130.A OG GLN 15.A OE1 no hydrogen 2.572 N/A GLY 131.A N GLN 147.A O no hydrogen 3.022 N/A TRP 132.A NE1 HIS 54.A O no hydrogen 2.930 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.776 N/A SER 134.A N VAL 185.A O no hydrogen 2.774 N/A SER 134.A OG GLU 136.A O no hydrogen 2.570 N/A SER 134.A OG SER 141.A O no hydrogen 3.438 N/A ILE 135.A N SER 141.A O no hydrogen 2.965 N/A GLU 136.A N SER 134.A OG no hydrogen 3.021 N/A SER 141.A N SER 134.A OG no hydrogen 3.088 N/A LEU 146.A N HIS 54.A O no hydrogen 2.910 N/A GLN 147.A N GLY 131.A O no hydrogen 3.004 N/A GLN 147.A NE2 ASP 145.A O no hydrogen 3.022 N/A CYS 148.A N TRP 5.A O no hydrogen 2.743 N/A VAL 149.A N ALA 129.A O no hydrogen 3.096 N/A LEU 151.A N CYS 127.A O no hydrogen 2.937 N/A LYS 152.A N GLY 175.A O no hydrogen 2.974 N/A ILE 153.A N SER 125.A O no hydrogen 2.984 N/A LEU 154.A N CYS 173.A O no hydrogen 2.837 N/A ASN 156.A ND2 MET 171.A O no hydrogen 3.085 N/A GLU 158.A N PRO 155.A O no hydrogen 2.959 N/A CYS 159.A SG PRO 215.A O no hydrogen 3.996 N/A CYS 159.A SG SER 216.A O no hydrogen 3.481 N/A LYS 160.A N ASN 156.A O no hydrogen 2.967 N/A LYS 160.A NZ VAL 167.A O no hydrogen 2.814 N/A LYS 161.A N ASP 157.A O no hydrogen 2.858 N/A LYS 161.A NZ GLU 158.A OE1 no hydrogen 3.388 N/A ALA 162.A N GLU 158.A O no hydrogen 3.021 N/A HIS 163.A N CYS 159.A O no hydrogen 3.080 N/A HIS 163.A NE2 PRO 215.A O no hydrogen 2.733 N/A GLN 165.A NE2 GLN 86J.A O no hydrogen 3.363 N/A LYS 166.A N GLU 89.A O no hydrogen 2.907 N/A THR 168.A OG1 SER 92.A OG no hydrogen 2.838 N/A PHE 170.A N THR 168.A OG1 no hydrogen 3.298 N/A MET 171.A N THR 168.A O no hydrogen 3.048 N/A LEU 172.A N ALA 218.A O no hydrogen 2.779 N/A CYS 173.A SG PRO 155.A O no hydrogen 3.780 N/A VAL 174.A N SER 216.A O no hydrogen 2.820 N/A GLY 175.A N LYS 152.A O no hydrogen 2.899 N/A HIS 176.A NE2 ASP 150.A O no hydrogen 2.755 N/A GLY 180.A N GLY 210A.A O no hydrogen 2.717 N/A LYS 181.A NZ ASP 150.A OD1 no hydrogen 2.788 N/A LYS 181.A NZ ASP 150.A OD2 no hydrogen 3.467 N/A ASP 182.A N VAL 2.A O no hydrogen 3.013 N/A THR 183.A N ASP 182.A OD1 no hydrogen 2.724 N/A THR 183.A OG1 ASP 182.A OD1 no hydrogen 3.452 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.832 N/A CYS 184.A SG GLU 136.A O no hydrogen 3.860 N/A ASP 187.A N CYS 184.A O no hydrogen 2.916 N/A SER 188.A OG.A SER 203.A O no hydrogen 3.330 N/A SER 188.A OG.B HIS 41.A NE2 no hydrogen 2.843 N/A GLY 189.A N THR 202.A O no hydrogen 2.810 N/A GLY 190.A N ASP 187.A O no hydrogen 3.148 N/A LEU 192.A N GLY 200.A O no hydrogen 3.014 N/A MET 193.A N LEU 128.A O no hydrogen 2.782 N/A CYS 194.A N VAL 197.A O no hydrogen 2.957 N/A VAL 197.A N CYS 194.A O no hydrogen 3.137 N/A LEU 198.A N GLU 115.A O no hydrogen 2.900 N/A GLN 199.A N LEU 192.A O no hydrogen 2.971 N/A GLN 199.A NE2 GLU 119.A O no hydrogen 2.891 N/A GLY 200.A N LEU 192.A O no hydrogen 3.243 N/A VAL 201.A N VAL 219.A O no hydrogen 3.249 N/A THR 202.A N GLY 190.A O no hydrogen 2.949 N/A SER 203.A N VAL 217.A O no hydrogen 3.142 N/A TRP 204.A N VAL 217.A O no hydrogen 3.058 N/A CYS 209.A N PRO 137.A O no hydrogen 3.086 N/A CYS 209.A SG PRO 137.A O no hydrogen 4.000 N/A THR 211.A OG1 PRO 208.A O no hydrogen 2.713 N/A ASN 213.A N LEU 177.A O no hydrogen 2.834 N/A LYS 214.A N THR 211.A O no hydrogen 3.204 N/A LYS 214.A NZ ALA 162.A O no hydrogen 2.962 N/A SER 216.A N VAL 174.A O no hydrogen 2.938 N/A SER 216.A OG ASP 182.A OD1 no hydrogen 2.686 N/A SER 216.A OG ASP 182.A OD2 no hydrogen 3.137 N/A VAL 217.A N TRP 204.A O no hydrogen 2.863 N/A ALA 218.A N LEU 172.A O no hydrogen 2.931 N/A VAL 219.A N VAL 201.A O no hydrogen 2.816 N/A ARG 220.A N.A PHE 170.A O no hydrogen 2.942 N/A ARG 220.A N.B PHE 170.A O no hydrogen 2.947 N/A ARG 220.A NE.B ASP 169.A O no hydrogen 3.045 N/A ARG 220.A NE.B MET 171.A O no hydrogen 3.209 N/A ARG 220.A NH1.A SER 223.A OG no hydrogen 2.806 N/A ARG 220.A NH2.B MET 171.A O no hydrogen 2.977 N/A VAL 221.A N GLN 199.A O no hydrogen 3.011 N/A SER 223.A N ARG 220.A O.A no hydrogen 2.962 N/A SER 223.A N ARG 220.A O.B no hydrogen 2.964 N/A TYR 224.A N VAL 221.A O no hydrogen 2.847 N/A TYR 224.A OH HIS 93.A ND1 no hydrogen 2.605 N/A VAL 225.A N LEU 222.A O no hydrogen 3.457 N/A LYS 226.A NZ ASP 230.A OD2 no hydrogen 2.686 N/A ILE 228.A N TYR 224.A O no hydrogen 2.823 N/A GLU 229.A N VAL 225.A O no hydrogen 2.813 N/A ASP 230.A N LYS 226.A O no hydrogen 2.819 N/A THR 231.A N TRP 227.A O no hydrogen 2.855 N/A THR 231.A OG1 TRP 227.A O no hydrogen 2.685 N/A ILE 232.A N ILE 228.A O no hydrogen 3.066 N/A ALA 233.A N GLU 229.A O no hydrogen 2.916 N/A GLU 234.A N ASP 230.A O no hydrogen 2.915 N/A ASN 235.A N ILE 232.A O no hydrogen 3.345 N/A ASN 235.A ND2 THR 231.A O no hydrogen 2.809 N/A GLU 178A.A N GLU 178A.A OE1 no hydrogen 2.741 N/A GLY 210A.A N ASP 182.A OD2 no hydrogen 2.940 N/A SER 80B.A N ASN 78.A OD1 no hydrogen 3.012 N/A SER 80B.A OG ASN 78.A OD1 no hydrogen 3.213 N/A GLY 179B.A N HIS 176.A O no hydrogen 2.843 N/A LEU 81C.A N ASN 78.A O no hydrogen 2.959 N/A LEU 82D.A N MET 79A.A O no hydrogen 2.962 N/A GLU 83E.A N SER 80B.A O no hydrogen 3.264 N/A