Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4exj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 56.A O no hydrogen 3.004 N/A LEU 5.A N LYS 28.A O no hydrogen 2.715 N/A TYR 6.A N THR 54.A O no hydrogen 2.859 N/A THR 7.A N HIS 30.A O no hydrogen 3.013 N/A THR 7.A OG1.A GLY 13.A O no hydrogen 3.036 N/A THR 7.A OG1.B GLY 8.A O no hydrogen 2.831 N/A GLY 13.A N THR 10.A OG1 no hydrogen 3.126 N/A ARG 14.A N THR 10.A O no hydrogen 3.198 N/A ARG 14.A NH2 GLU 212.A O no hydrogen 2.403 N/A LYS 15.A N ASN 12.A O no hydrogen 3.202 N/A LYS 15.A NZ ASN 12.A OD1 no hydrogen 3.177 N/A LYS 15.A NZ ASN 67.A OD1 no hydrogen 2.933 N/A LYS 15.A NZ GLN 104.A OE1 no hydrogen 2.921 N/A VAL 18.A N ARG 14.A O no hydrogen 2.834 N/A LEU 19.A N LYS 15.A O no hydrogen 3.199 N/A GLY 20.A N PRO 16.A O no hydrogen 2.865 N/A LYS 21.A N LEU 17.A O no hydrogen 2.958 N/A LYS 21.A NZ GLN 221.A O no hydrogen 2.670 N/A LEU 22.A N VAL 18.A O no hydrogen 2.871 N/A LEU 23.A N LEU 19.A O no hydrogen 2.941 N/A ASN 24.A N LYS 21.A O no hydrogen 3.039 N/A ALA 25.A N GLY 20.A O no hydrogen 2.955 N/A ILE 27.A N ALA 25.A O no hydrogen 2.753 N/A LYS 28.A N ALA 3.A O no hydrogen 2.926 N/A HIS 30.A N LEU 5.A O no hydrogen 2.847 N/A HIS 30.A ND1 TYR 219.A O no hydrogen 2.700 N/A PHE 32.A N THR 7.A O no hydrogen 3.019 N/A ASP 37.A N THR 35.A OG1 no hydrogen 3.119 N/A GLN 39.A N LYS 36.A O no hydrogen 3.166 N/A GLU 40.A N ASP 37.A O no hydrogen 3.116 N/A TYR 43.A OH ILE 51.A O no hydrogen 2.623 N/A LEU 44.A N GLU 40.A O no hydrogen 2.935 N/A LYS 45.A N ASP 41.A O no hydrogen 3.078 N/A LEU 46.A N TYR 43.A O no hydrogen 2.900 N/A ASN 47.A N TYR 43.A O no hydrogen 2.859 N/A ASN 47.A ND2 THR 54.A OG1 no hydrogen 2.932 N/A ALA 49.A N ASN 47.A OD1 no hydrogen 3.094 N/A GLY 50.A N ASN 47.A O no hydrogen 2.847 N/A THR 54.A N TYR 6.A O no hydrogen 3.033 N/A THR 54.A OG1 TYR 43.A OH no hydrogen 2.786 N/A LEU 55.A N ILE 63.A O no hydrogen 2.944 N/A VAL 56.A N ILE 4.A O no hydrogen 2.844 N/A ASP 57.A N THR 61.A O no hydrogen 2.849 N/A LYS 59.A N ASP 57.A OD1 no hydrogen 2.746 N/A LYS 59.A NZ ASP 58.A OD1 no hydrogen 2.770 N/A GLY 60.A N ASP 57.A O no hydrogen 3.002 N/A THR 61.A N ASP 57.A OD1 no hydrogen 2.889 N/A ILE 63.A N LEU 55.A O no hydrogen 2.622 N/A THR 64.A OG1 GLU 65.A OE2 no hydrogen 3.414 N/A SER 66.A OG.A ASN 12.A O no hydrogen 2.455 N/A SER 66.A OG.B ASN 12.A OD1 no hydrogen 2.912 N/A ASN 67.A ND2 LEU 101.A O no hydrogen 2.890 N/A ASN 67.A ND2 GLN 104.A OE1 no hydrogen 3.029 N/A ASN 68.A ND2 THR 64.A O no hydrogen 3.074 N/A ILE 69.A N GLU 65.A O no hydrogen 2.875 N/A LEU 70.A N SER 66.A O no hydrogen 3.028 N/A LEU 71.A N ASN 67.A O no hydrogen 3.245 N/A TYR 72.A N ASN 68.A O no hydrogen 2.881 N/A ILE 73.A N ILE 69.A O no hydrogen 2.820 N/A ALA 74.A N LEU 70.A O no hydrogen 2.943 N/A ASP 75.A N LEU 71.A O no hydrogen 2.921 N/A THR 76.A N TYR 72.A O no hydrogen 2.913 N/A THR 76.A OG1 TYR 72.A O no hydrogen 2.685 N/A TYR 77.A N ILE 73.A O no hydrogen 2.769 N/A ASP 78.A N ALA 74.A O no hydrogen 2.955 N/A HIS 81.A N ASP 78.A O no hydrogen 3.108 N/A LYS 82.A N ASP 78.A OD1 no hydrogen 2.885 N/A LYS 82.A NZ GLU 204.A OE2 no hydrogen 2.944 N/A PHE 83.A N ASP 78.A OD2 no hydrogen 2.719 N/A TYR 85.A N GLN 97.A OE1 no hydrogen 2.972 N/A SER 86.A OG GLN 89.A OE1 no hydrogen 3.154 N/A GLN 89.A N SER 86.A OG no hydrogen 2.953 N/A ASP 90.A N.A SER 86.A O no hydrogen 2.905 N/A ASP 90.A N.B SER 86.A O no hydrogen 2.941 N/A LEU 93.A N ASP 90.A OD1.B no hydrogen 3.438 N/A TYR 94.A N ASP 90.A O.A no hydrogen 2.792 N/A TYR 94.A N ASP 90.A O.B no hydrogen 2.841 N/A TRP 95.A N PRO 91.A O no hydrogen 2.949 N/A GLU 96.A N LYS 92.A O no hydrogen 3.215 N/A GLN 97.A N LEU 93.A O no hydrogen 2.818 N/A GLN 97.A NE2 TYR 85.A O no hydrogen 3.043 N/A ASN 98.A N TYR 94.A O no hydrogen 2.866 N/A GLU 99.A N TRP 95.A O no hydrogen 2.913 N/A LEU 100.A N GLU 96.A O no hydrogen 3.030 N/A LEU 101.A N GLN 97.A O no hydrogen 3.038 N/A PHE 102.A N ASN 98.A O no hydrogen 3.014 N/A TYR 103.A N GLU 99.A O no hydrogen 2.865 N/A GLN 104.A N LEU 100.A O no hydrogen 2.859 N/A ALA 105.A N LEU 101.A O no hydrogen 3.148 N/A THR 106.A N PHE 102.A O no hydrogen 3.010 N/A THR 106.A OG1 PHE 102.A O no hydrogen 2.842 N/A THR 106.A OG1 TYR 103.A O no hydrogen 3.534 N/A GLN 107.A N TYR 103.A O no hydrogen 2.792 N/A PHE 108.A N TYR 103.A O no hydrogen 3.368 N/A GLN 109.A N GLN 104.A O no hydrogen 2.950 N/A SER 110.A N ALA 105.A O no hydrogen 2.951 N/A GLN 111.A N THR 106.A O no hydrogen 2.878 N/A THR 112.A N GLN 109.A O no hydrogen 3.279 N/A THR 112.A OG1 GLN 107.A O no hydrogen 2.696 N/A THR 112.A OG1 SER 136.A OG.B no hydrogen 2.757 N/A LEU 113.A N PHE 108.A O no hydrogen 2.977 N/A THR 114.A N GLN 109.A O no hydrogen 2.756 N/A THR 114.A OG1 GLN 109.A O no hydrogen 3.248 N/A THR 114.A OG1 GLN 109.A OE1 no hydrogen 2.788 N/A ALA 116.A N THR 112.A O no hydrogen 2.903 N/A ASN 117.A N LEU 113.A O no hydrogen 2.802 N/A ALA 118.A N THR 114.A O no hydrogen 3.025 N/A ASN 119.A N ILE 115.A O no hydrogen 3.189 N/A ASN 119.A N ALA 116.A O no hydrogen 3.283 N/A ASN 119.A ND2 ILE 115.A O no hydrogen 2.800 N/A GLN 121.A N HIS 124.A O no hydrogen 3.082 N/A GLN 121.A NE2 ASN 117.A O no hydrogen 2.870 N/A GLN 121.A NE2 ALA 118.A O no hydrogen 3.611 N/A HIS 124.A N GLN 121.A O no hydrogen 2.993 N/A HIS 124.A NE2 ASP 126.A OD1 no hydrogen 3.030 N/A ALA 130.A N ASP 126.A O no hydrogen 2.892 N/A GLN 131.A N GLU 127.A O no hydrogen 2.968 N/A TYR 132.A N ASN 128.A O no hydrogen 3.068 N/A TYR 132.A OH GLN 111.A O no hydrogen 2.969 N/A VAL 133.A N ILE 129.A O no hydrogen 2.775 N/A LEU 134.A N ALA 130.A O no hydrogen 2.844 N/A SER 135.A N GLN 131.A O no hydrogen 3.087 N/A SER 135.A OG.A GLN 131.A O no hydrogen 3.090 N/A SER 135.A OG.B GLN 131.A O no hydrogen 3.261 N/A SER 135.A OG.B TYR 132.A O no hydrogen 3.150 N/A SER 136.A N TYR 132.A O no hydrogen 3.015 N/A SER 136.A OG.A TYR 132.A O no hydrogen 2.959 N/A SER 136.A OG.B THR 112.A OG1 no hydrogen 2.757 N/A PHE 137.A N VAL 133.A O no hydrogen 2.934 N/A GLU 138.A N LEU 134.A O no hydrogen 2.903 N/A LYS 139.A N SER 135.A O no hydrogen 3.137 N/A VAL 140.A N SER 136.A O no hydrogen 2.962 N/A PHE 141.A N PHE 137.A O no hydrogen 2.795 N/A ALA 142.A N GLU 138.A O no hydrogen 3.061 N/A PHE 143.A N LYS 139.A O no hydrogen 3.001 N/A MET 144.A N VAL 140.A O no hydrogen 2.911 N/A GLU 145.A N PHE 141.A O no hydrogen 2.713 N/A THR 146.A N ALA 142.A O no hydrogen 2.932 N/A THR 146.A OG1 ALA 142.A O no hydrogen 2.968 N/A LYS 147.A N PHE 143.A O no hydrogen 2.919 N/A LEU 148.A N MET 144.A O no hydrogen 2.922 N/A SER 149.A N THR 146.A O no hydrogen 3.281 N/A ARG 151.A N LEU 148.A O no hydrogen 3.058 N/A ARG 151.A NE TRP 153.A O no hydrogen 3.100 N/A PHE 154.A N ASP 163.A OD1 no hydrogen 3.081 N/A ASP 157.A N TYR 85.A OH no hydrogen 3.391 N/A LYS 158.A NZ HIS 81.A O no hydrogen 2.789 N/A LYS 158.A NZ LYS 82.A O no hydrogen 3.368 N/A THR 160.A N ASP 163.A OD2 no hydrogen 2.801 N/A THR 160.A OG1 ASP 163.A OD2 no hydrogen 3.435 N/A ILE 161.A N PHE 83.A O no hydrogen 2.853 N/A VAL 162.A N THR 160.A OG1 no hydrogen 3.159 N/A ILE 164.A N THR 160.A O no hydrogen 2.999 N/A ALA 165.A N ILE 161.A O no hydrogen 2.893 N/A PHE 166.A N VAL 162.A O no hydrogen 3.006 N/A LEU 167.A N ASP 163.A O no hydrogen 2.829 N/A VAL 168.A N ILE 164.A O no hydrogen 3.065 N/A GLY 169.A N ALA 165.A O no hydrogen 3.325 N/A GLU 170.A N PHE 166.A O no hydrogen 2.976 N/A HIS 171.A N LEU 167.A O no hydrogen 2.824 N/A ARG 172.A N VAL 168.A O no hydrogen 2.927 N/A ARG 172.A NH1 GLU 175.A OE1 no hydrogen 3.025 N/A ARG 173.A N GLY 169.A O no hydrogen 2.947 N/A ARG 173.A NE GLU 170.A OE1 no hydrogen 2.777 N/A ARG 173.A NE GLU 170.A OE2 no hydrogen 3.320 N/A ARG 173.A NH1 ILE 184.A O no hydrogen 2.910 N/A ARG 173.A NH2 GLU 170.A OE2 no hydrogen 2.591 N/A ARG 173.A NH2 ILE 184.A O no hydrogen 3.279 N/A ARG 174.A N GLU 170.A O no hydrogen 3.053 N/A ARG 174.A NE GLU 170.A OE2 no hydrogen 2.793 N/A ARG 174.A NH2 GLU 170.A OE2 no hydrogen 3.209 N/A ARG 174.A NH2 GLU 194.A OE1 no hydrogen 2.849 N/A GLU 175.A N HIS 171.A O no hydrogen 2.976 N/A ARG 176.A N ARG 172.A O no hydrogen 3.080 N/A ARG 176.A NH1 TYR 120.A O no hydrogen 3.210 N/A ARG 176.A NH2 ASN 117.A OD1 no hydrogen 2.797 N/A ARG 176.A NH2 TYR 120.A O no hydrogen 3.542 N/A LEU 177.A N ARG 173.A O no hydrogen 2.825 N/A SER 180.A OG LEU 177.A O no hydrogen 2.605 N/A ILE 182.A N SER 180.A OG no hydrogen 3.261 N/A TRP 183.A N SER 180.A O no hydrogen 3.328 N/A LYS 187.A N ASP 185.A OD1 no hydrogen 2.946 N/A PHE 190.A N LEU 186.A O no hydrogen 2.840 N/A ASN 192.A N GLU 145.A OE2 no hydrogen 2.980 N/A ASN 192.A ND2 GLU 145.A O no hydrogen 3.435 N/A VAL 193.A N GLU 145.A OE1 no hydrogen 2.950 N/A GLU 194.A N PHE 190.A O no hydrogen 2.992 N/A LYS 195.A N PRO 191.A O no hydrogen 2.943 N/A TRP 196.A N ASN 192.A O no hydrogen 3.004 N/A TRP 196.A NE1 ASP 163.A OD1 no hydrogen 2.924 N/A PHE 197.A N VAL 193.A O no hydrogen 2.899 N/A GLN 198.A N GLU 194.A O no hydrogen 3.031 N/A GLN 198.A NE2 GLU 194.A OE2 no hydrogen 2.881 N/A ARG 199.A N LYS 195.A O no hydrogen 3.019 N/A ARG 199.A NE ASP 152.A O no hydrogen 3.284 N/A ARG 199.A NH2 ASP 152.A O no hydrogen 2.936 N/A ALA 200.A N TRP 196.A O no hydrogen 2.712 N/A ILE 201.A N PHE 197.A O no hydrogen 2.954 N/A ALA 202.A N GLN 198.A O no hydrogen 3.062 N/A PHE 203.A N ALA 200.A O no hydrogen 3.174 N/A VAL 206.A N PHE 203.A O no hydrogen 2.959 N/A ILE 209.A N ASN 205.A O no hydrogen 3.095 N/A LEU 210.A N VAL 206.A O no hydrogen 3.024 N/A LYS 211.A N GLU 208.A O no hydrogen 2.926 N/A GLU 212.A N ILE 209.A O no hydrogen 3.157 N/A ALA 215.A N GLN 221.A OE1 no hydrogen 3.156 N/A GLN 221.A N VAL 29.A O no hydrogen 2.885 N/A GLN 221.A NE2 HIS 213.A O no hydrogen 3.030 N/A