Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shj_J.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N SER 18.A OG no hydrogen 2.806 N/A LEU 5.A N ALA 16.A O no hydrogen 2.761 N/A GLY 6.A N GLY 131.A O no hydrogen 2.942 N/A ILE 7.A N ILE 14.A O no hydrogen 2.923 N/A ARG 8.A N PRO 129.A O no hydrogen 2.654 N/A ARG 8.A NE LEU 128.A O no hydrogen 3.441 N/A VAL 9.A N SER 12.A O no hydrogen 2.951 N/A GLN 10.A N MET 152.A O no hydrogen 2.995 N/A SER 12.A OG THR 154.A OG1 no hydrogen 3.084 N/A VAL 13.A N VAL 184.A O no hydrogen 2.933 N/A ILE 14.A N ILE 7.A O no hydrogen 2.802 N/A LEU 15.A N LYS 182.A O no hydrogen 3.056 N/A ALA 16.A N LEU 5.A O no hydrogen 3.057 N/A SER 17.A N ILE 180.A O no hydrogen 3.052 N/A SER 18.A N ILE 3.A O no hydrogen 3.066 N/A SER 18.A OG ILE 3.A O no hydrogen 3.490 N/A LYS 19.A N PHE 176.A O no hydrogen 3.297 N/A LYS 19.A N GLY 178.A O no hydrogen 2.920 N/A ALA 20.A N PHE 176.A O no hydrogen 3.137 N/A VAL 21.A N LYS 29.A O no hydrogen 2.888 N/A ARG 23.A N SER 26.A O no hydrogen 2.987 N/A ARG 23.A NH1 THR 22.A O no hydrogen 2.751 N/A SER 26.A N ARG 23.A O no hydrogen 3.453 N/A ASP 32.A N LYS 19.A O no hydrogen 2.889 N/A LYS 34.A NZ SER 18.A O no hydrogen 3.286 N/A LYS 34.A NZ ALA 20.A O no hydrogen 2.947 N/A LYS 34.A NZ ASP 32.A OD1 no hydrogen 2.760 N/A THR 35.A N ASP 33.A O no hydrogen 2.734 N/A THR 35.A OG1 MET 44.A O no hydrogen 3.140 N/A ARG 36.A N MET 44.A O no hydrogen 2.901 N/A ARG 36.A NE THR 35.A O no hydrogen 2.932 N/A ARG 36.A NH1 GLU 58.A OE2 no hydrogen 2.724 N/A LEU 38.A N THR 42.A O no hydrogen 2.967 N/A SER 39.A N THR 42.A O no hydrogen 3.342 N/A SER 39.A OG GLU 74.A OE1 no hydrogen 2.678 N/A HIS 41.A N GLU 74.A OE1 no hydrogen 2.672 N/A HIS 41.A ND1 GLU 74.A OE2 no hydrogen 2.828 N/A THR 42.A N SER 39.A O no hydrogen 2.885 N/A THR 42.A OG1 SER 39.A OG no hydrogen 3.285 N/A LEU 43.A N GLY 105.A O no hydrogen 2.791 N/A MET 44.A N ARG 36.A O no hydrogen 2.992 N/A SER 45.A N LEU 103.A O no hydrogen 2.940 N/A SER 45.A OG LEU 103.A O no hydrogen 3.535 N/A PHE 46.A N LYS 34.A O no hydrogen 3.075 N/A ALA 47.A N ASN 101.A O no hydrogen 2.932 N/A GLU 49.A N GLN 99.A O no hydrogen 2.867 N/A THR 53.A N GLU 49.A O no hydrogen 3.074 N/A GLN 55.A N GLY 51.A O no hydrogen 3.298 N/A PHE 56.A N ASP 52.A O no hydrogen 2.772 N/A ALA 57.A N THR 53.A O no hydrogen 3.166 N/A GLU 58.A N VAL 54.A O no hydrogen 2.780 N/A TYR 59.A N GLN 55.A O no hydrogen 2.927 N/A TYR 59.A OH GLU 87.A OE1 no hydrogen 3.055 N/A ILE 60.A N PHE 56.A O no hydrogen 2.882 N/A GLN 61.A N ALA 57.A O no hydrogen 2.878 N/A GLN 61.A NE2 GLN 37.A O no hydrogen 2.900 N/A ALA 62.A N GLU 58.A O no hydrogen 2.949 N/A ASN 63.A N TYR 59.A O no hydrogen 3.157 N/A ILE 64.A N ILE 60.A O no hydrogen 2.937 N/A GLN 65.A N GLN 61.A O no hydrogen 2.912 N/A LEU 66.A N ALA 62.A O no hydrogen 2.973 N/A TYR 67.A N ASN 63.A O no hydrogen 2.984 N/A SER 68.A N ILE 64.A O no hydrogen 2.922 N/A SER 68.A OG ILE 64.A O no hydrogen 3.272 N/A SER 68.A OG TYR 73.A O no hydrogen 3.429 N/A ILE 69.A N GLN 65.A O no hydrogen 2.943 N/A ARG 70.A N LEU 66.A O no hydrogen 2.924 N/A GLU 71.A N TYR 67.A O no hydrogen 2.993 N/A ASP 72.A N ILE 69.A O no hydrogen 3.161 N/A TYR 73.A N SER 68.A O no hydrogen 3.272 N/A ALA 79.A N SER 76.A OG no hydrogen 3.149 N/A VAL 80.A N SER 76.A O no hydrogen 3.013 N/A SER 81.A N PRO 77.A O no hydrogen 2.988 N/A SER 81.A OG GLN 78.A O no hydrogen 2.740 N/A SER 82.A N GLN 78.A O no hydrogen 3.010 N/A SER 82.A OG GLN 78.A O no hydrogen 3.523 N/A SER 82.A OG GLN 78.A OE1 no hydrogen 2.831 N/A PHE 83.A N ALA 79.A O no hydrogen 3.001 N/A VAL 84.A N VAL 80.A O no hydrogen 2.940 N/A ARG 85.A N SER 81.A O no hydrogen 2.693 N/A ARG 85.A NH1 GLY 123.A O no hydrogen 2.806 N/A GLN 86.A N SER 82.A O no hydrogen 3.122 N/A GLU 87.A N PHE 83.A O no hydrogen 3.037 N/A LEU 88.A N VAL 84.A O no hydrogen 2.951 N/A ALA 89.A N ARG 85.A O no hydrogen 2.760 N/A LYS 90.A N GLN 86.A O no hydrogen 3.082 N/A LYS 90.A N GLU 87.A O no hydrogen 3.087 N/A LYS 90.A NZ GLU 87.A OE2 no hydrogen 3.364 N/A SER 91.A N GLU 87.A O no hydrogen 2.976 N/A SER 94.A N SER 91.A O no hydrogen 3.265 N/A SER 94.A OG SER 91.A O no hydrogen 2.687 N/A ARG 96.A NH1 ASP 52.A OD1 no hydrogen 3.013 N/A ARG 96.A NH1 ASP 52.A OD2 no hydrogen 3.407 N/A ARG 96.A NH2 ASP 52.A OD1 no hydrogen 3.314 N/A TYR 98.A N SER 91.A OG no hydrogen 2.754 N/A ASN 101.A N ALA 47.A O no hydrogen 2.928 N/A VAL 102.A N ILE 119.A O no hydrogen 2.865 N/A LEU 103.A N SER 45.A O no hydrogen 2.960 N/A ILE 104.A N TYR 117.A O no hydrogen 2.719 N/A GLY 105.A N LEU 43.A O no hydrogen 2.748 N/A GLY 106.A N GLU 115.A O no hydrogen 2.992 N/A TYR 107.A N HIS 41.A O no hydrogen 2.923 N/A TYR 107.A OH ASN 112.A OD1 no hydrogen 3.359 N/A ASP 108.A N LYS 113.A O no hydrogen 2.999 N/A ASN 112.A N ASP 108.A O no hydrogen 2.499 N/A GLU 115.A N GLY 106.A O no hydrogen 2.831 N/A TYR 117.A N ILE 104.A O no hydrogen 2.603 N/A TYR 117.A OH GLU 115.A OE2 no hydrogen 2.972 N/A GLN 118.A N VAL 126.A O no hydrogen 2.877 N/A ILE 119.A N VAL 102.A O no hydrogen 3.018 N/A ASP 120.A N THR 124.A O no hydrogen 3.088 N/A TYR 121.A N ASN 101.A OD1 no hydrogen 2.702 N/A LEU 122.A N ASP 120.A OD2 no hydrogen 3.088 N/A GLY 123.A N ASP 120.A O no hydrogen 2.755 N/A THR 124.A N ASP 120.A OD2 no hydrogen 2.786 N/A THR 124.A OG1 ASP 120.A OD1 no hydrogen 3.055 N/A THR 124.A OG1 ASP 120.A OD2 no hydrogen 2.753 N/A LYS 125.A NZ SER 81.A OG no hydrogen 3.157 N/A LYS 125.A NZ SER 82.A OG no hydrogen 3.221 N/A VAL 126.A N GLN 118.A O no hydrogen 2.958 N/A LEU 128.A N LEU 116.A O no hydrogen 3.037 N/A TYR 130.A OH ASP 145.A OD1 no hydrogen 2.598 N/A GLY 131.A N GLY 6.A O no hydrogen 2.863 N/A HIS 133.A N ILE 4.A O no hydrogen 3.373 N/A HIS 133.A NE2 VAL 102.A O no hydrogen 2.813 N/A SER 136.A OG HIS 133.A O no hydrogen 3.242 N/A THR 140.A N SER 136.A O no hydrogen 3.330 N/A THR 140.A OG1 SER 136.A O no hydrogen 2.834 N/A PHE 141.A N GLY 137.A O no hydrogen 2.800 N/A LEU 143.A N THR 140.A O no hydrogen 3.008 N/A LEU 144.A N THR 140.A O no hydrogen 3.064 N/A ASP 145.A N PHE 141.A O no hydrogen 2.693 N/A HIS 146.A N SER 142.A O no hydrogen 3.283 N/A HIS 147.A N LEU 143.A O no hydrogen 2.824 N/A TYR 148.A N LEU 144.A O no hydrogen 2.730 N/A TYR 148.A OH ARG 8.A O no hydrogen 2.479 N/A ARG 149.A NH1 HIS 146.A O no hydrogen 2.784 N/A ARG 149.A NH1 TYR 148.A O no hydrogen 2.901 N/A MET 152.A N ARG 149.A O no hydrogen 2.915 N/A THR 153.A N GLU 156.A OE2 no hydrogen 2.898 N/A THR 154.A OG1 SER 12.A OG no hydrogen 3.084 N/A GLU 156.A N THR 153.A OG1 no hydrogen 3.174 N/A GLY 157.A N THR 153.A O no hydrogen 2.932 N/A LEU 158.A N THR 154.A O no hydrogen 3.227 N/A ASP 159.A N GLU 155.A O no hydrogen 3.121 N/A LEU 160.A N GLU 156.A O no hydrogen 2.938 N/A LEU 161.A N GLY 157.A O no hydrogen 2.875 N/A LYS 162.A N LEU 158.A O no hydrogen 2.812 N/A LYS 162.A NZ GLN 198.A O no hydrogen 2.763 N/A LEU 163.A N ASP 159.A O no hydrogen 3.040 N/A CYS 164.A N LEU 160.A O no hydrogen 2.950 N/A CYS 164.A SG LEU 160.A O no hydrogen 3.430 N/A VAL 165.A N LEU 161.A O no hydrogen 2.709 N/A GLN 166.A N LYS 162.A O no hydrogen 2.953 N/A GLU 167.A N LEU 163.A O no hydrogen 3.033 N/A LEU 168.A N CYS 164.A O no hydrogen 2.843 N/A GLU 169.A N VAL 165.A O no hydrogen 2.782 N/A LYS 170.A N GLN 166.A O no hydrogen 2.928 N/A LYS 170.A N GLU 167.A O no hydrogen 3.241 N/A ARG 171.A N GLU 167.A O no hydrogen 3.026 N/A MET 172.A N LEU 168.A O no hydrogen 3.211 N/A LYS 177.A N ASP 175.A OD1 no hydrogen 2.958 N/A LYS 177.A NZ ASP 175.A OD2 no hydrogen 3.129 N/A ILE 180.A N SER 17.A O no hydrogen 2.871 N/A LYS 182.A N LEU 15.A O no hydrogen 3.032 N/A LYS 182.A NZ ASP 33.A OD1 no hydrogen 2.768 N/A LYS 182.A NZ ASP 33.A OD2 no hydrogen 3.358 N/A ILE 183.A N ARG 190.A O no hydrogen 2.785 N/A VAL 184.A N VAL 13.A O no hydrogen 2.898 N/A ASP 185.A N GLY 188.A O no hydrogen 2.838 N/A LYS 186.A NZ ASP 187.A OD1 no hydrogen 2.817 N/A LYS 186.A NZ ASP 187.A OD2 no hydrogen 3.005 N/A ASP 187.A N ASP 185.A OD1 no hydrogen 2.529 N/A GLY 188.A N ASP 185.A O no hydrogen 2.778 N/A ARG 190.A N ILE 183.A O no hydrogen 3.028 N/A ARG 190.A NH1 ASP 185.A OD2 no hydrogen 2.710 N/A VAL 192.A N VAL 181.A O no hydrogen 3.020 N/A PHE 195.A N GLN 196.A OE1 no hydrogen 2.685 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.684 N/A GLN 196.A NE2 ASP 193.A O no hydrogen 3.209 N/A ILE 92A.A N LEU 88.A O no hydrogen 2.919 N/A LYS 109A.A NZ LYS 186.A O no hydrogen 2.547 N/A ARG 93B.A N LYS 90.A O no hydrogen 3.052 N/A LYS 110B.A N ASP 108.A OD2 no hydrogen 3.004 N/A LYS 110B.A NZ TYR 73.A OH no hydrogen 3.036 N/A LYS 111C.A N ASP 108.A OD2 no hydrogen 3.168 N/A LYS 111C.A NZ GLU 115.A OE1 no hydrogen 3.417 N/A