Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jqg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 86.A OD1 no hydrogen 2.675 N/A ALA 5.A N ARG 28.A O no hydrogen 2.732 N/A VAL 6.A N VAL 87.A O no hydrogen 2.786 N/A VAL 7.A N VAL 30.A O no hydrogen 3.155 N/A THR 8.A N VAL 89.A O no hydrogen 2.959 N/A THR 8.A OG1 VAL 89.A O no hydrogen 3.329 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.956 N/A ALA 10.A N HIS 32.A O no hydrogen 2.814 N/A LYS 12.A NZ.A SER 36.A OG no hydrogen 2.863 N/A LYS 12.A NZ.B SER 36.A OG no hydrogen 3.288 N/A ARG 13.A NH1 LEU 189.A O no hydrogen 2.931 N/A ARG 13.A NH2 LEU 188.A O no hydrogen 2.987 N/A ARG 13.A NH2 LEU 189.A O no hydrogen 3.566 N/A ARG 16.A N LYS 12.A O no hydrogen 2.982 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.388 N/A ALA 17.A N ARG 13.A O no hydrogen 3.074 N/A ILE 18.A N ILE 14.A O no hydrogen 2.914 N/A ALA 19.A N GLY 15.A O no hydrogen 2.984 N/A VAL 20.A N ARG 16.A O no hydrogen 2.768 N/A LYS 21.A N ALA 17.A O no hydrogen 2.933 N/A LEU 22.A N ILE 18.A O no hydrogen 2.808 N/A HIS 23.A N ALA 19.A O no hydrogen 2.870 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.813 N/A GLN 24.A N VAL 20.A O no hydrogen 2.761 N/A THR 25.A N LYS 21.A O no hydrogen 3.031 N/A THR 25.A N LEU 22.A O no hydrogen 3.323 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.856 N/A GLY 26.A N HIS 23.A O no hydrogen 3.029 N/A TYR 27.A N LEU 22.A O no hydrogen 2.958 N/A ARG 28.A N PRO 3.A O no hydrogen 2.801 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.171 N/A ARG 28.A NH2 GLU 1.A OE1 no hydrogen 2.841 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.817 N/A VAL 29.A N THR 54.A O no hydrogen 3.019 N/A VAL 30.A N ALA 5.A O no hydrogen 2.962 N/A ILE 31.A N VAL 56.A O no hydrogen 2.724 N/A HIS 32.A N VAL 7.A O no hydrogen 3.130 N/A HIS 32.A NE2 ALA 59.A O no hydrogen 2.946 N/A ALA 37.A N ASN 35.A O no hydrogen 2.929 N/A ALA 40.A N SER 36.A O no hydrogen 3.074 N/A VAL 41.A N ALA 37.A O no hydrogen 2.946 N/A SER 42.A N GLU 38.A O no hydrogen 2.826 N/A LEU 43.A N ALA 39.A O no hydrogen 2.960 N/A ALA 44.A N ALA 40.A O no hydrogen 2.892 N/A ASP 45.A N VAL 41.A O no hydrogen 2.878 N/A GLU 46.A N SER 42.A O no hydrogen 3.085 N/A LEU 47.A N LEU 43.A O no hydrogen 3.108 N/A ASN 48.A N ALA 44.A O no hydrogen 3.108 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.691 N/A LYS 49.A N ASP 45.A O no hydrogen 3.096 N/A GLU 50.A N GLU 46.A O no hydrogen 3.305 N/A ARG 51.A N LEU 47.A O no hydrogen 2.955 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.968 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.292 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.744 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.813 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.506 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.885 N/A VAL 56.A N VAL 29.A O no hydrogen 3.030 N/A GLN 58.A NE2 HIS 34.A O no hydrogen 2.831 N/A ALA 59.A N TYR 33.A O no hydrogen 3.180 N/A THR 62.A N ASP 60.A OD1 no hydrogen 2.933 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.472 N/A THR 62.A OG1 ASP 60.A OD2 no hydrogen 3.371 N/A ASN 63.A N ALA 110.A O no hydrogen 2.972 N/A VAL 66.A N SER 64.A OG no hydrogen 2.869 N/A LEU 67.A N SER 64.A O no hydrogen 3.247 N/A SER 70.A N VAL 66.A O no hydrogen 3.006 N/A SER 70.A OG VAL 66.A O no hydrogen 3.240 N/A CYS 71.A N LEU 67.A O no hydrogen 3.005 N/A CYS 71.A SG LEU 67.A O no hydrogen 3.625 N/A CYS 71.A SG ALA 119.A O no hydrogen 3.976 N/A GLU 72.A N PRO 68.A O no hydrogen 2.830 N/A GLU 73.A N ALA 69.A O no hydrogen 2.898 N/A ILE 74.A N SER 70.A O no hydrogen 3.054 N/A ILE 75.A N CYS 71.A O no hydrogen 3.287 N/A ASN 76.A N GLU 72.A O no hydrogen 2.868 N/A SER 77.A N GLU 73.A O no hydrogen 2.791 N/A SER 77.A N ILE 74.A O no hydrogen 3.192 N/A SER 77.A OG.A ILE 74.A O no hydrogen 2.425 N/A SER 77.A OG.B GLU 73.A O no hydrogen 2.873 N/A SER 77.A OG.B GLU 73.A OE2 no hydrogen 3.066 N/A CYS 78.A N ILE 75.A O no hydrogen 3.219 N/A CYS 78.A SG ARG 84.A O no hydrogen 3.494 N/A PHE 79.A N ILE 75.A O no hydrogen 3.409 N/A ARG 80.A N ASN 76.A O no hydrogen 2.818 N/A ARG 80.A NH1 GLU 73.A OE2 no hydrogen 3.014 N/A ARG 80.A NH2 GLU 73.A OE2 no hydrogen 3.275 N/A ALA 81.A N SER 77.A O no hydrogen 2.947 N/A PHE 82.A N CYS 78.A O no hydrogen 2.782 N/A GLY 83.A N PHE 79.A O no hydrogen 2.934 N/A ARG 84.A NE ASP 86.A OD1 no hydrogen 2.850 N/A ARG 84.A NE ASP 86.A OD2 no hydrogen 3.331 N/A ARG 84.A NH1 GLU 1.A OE2 no hydrogen 3.116 N/A ARG 84.A NH2 ASP 86.A OD2 no hydrogen 2.919 N/A CYS 85.A SG VAL 87.A O no hydrogen 3.821 N/A ASP 86.A N ALA 4.A O no hydrogen 2.639 N/A VAL 87.A N ALA 4.A O no hydrogen 3.232 N/A LEU 88.A N SER 135.A O no hydrogen 3.329 N/A VAL 89.A N VAL 6.A O no hydrogen 2.674 N/A ASN 90.A N VAL 137.A O no hydrogen 2.968 N/A ASN 90.A ND2 ASN 138.A OD1 no hydrogen 2.627 N/A ASN 91.A N THR 8.A OG1 no hydrogen 2.836 N/A ASN 91.A ND2 THR 8.A O no hydrogen 3.198 N/A ASN 91.A ND2 GLY 9.A O no hydrogen 3.072 N/A ALA 92.A N THR 8.A OG1 no hydrogen 2.822 N/A SER 93.A OG ALA 94.A O no hydrogen 3.369 N/A SER 93.A OG ASN 116.A OD1 no hydrogen 2.724 N/A ALA 94.A N THR 115.A OG1 no hydrogen 2.954 N/A TYR 96.A OH GLU 111.A OE1 no hydrogen 2.492 N/A THR 98.A N ALA 150.A O no hydrogen 2.809 N/A THR 98.A OG1 THR 98.A O no hydrogen 2.570 N/A LYS 103.A NZ GLU 111.A OE1 no hydrogen 2.762 N/A THR 107.A N THR 104.A O no hydrogen 3.059 N/A THR 107.A N THR 104.A OG1 no hydrogen 3.351 N/A THR 107.A OG1 THR 104.A OG1 no hydrogen 2.945 N/A GLN 108.A N THR 104.A O no hydrogen 3.048 N/A VAL 109.A N VAL 105.A O no hydrogen 2.804 N/A ALA 110.A N GLU 106.A O no hydrogen 3.105 N/A GLU 111.A N THR 107.A O no hydrogen 2.759 N/A LEU 112.A N GLN 108.A O no hydrogen 2.941 N/A ILE 113.A N VAL 109.A O no hydrogen 2.914 N/A GLY 114.A N ALA 110.A O no hydrogen 3.020 N/A THR 115.A N GLU 111.A O no hydrogen 3.000 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.502 N/A ASN 116.A N LEU 112.A O no hydrogen 3.287 N/A ASN 116.A ND2 ALA 94.A O no hydrogen 3.173 N/A ASN 116.A ND2 LEU 112.A O no hydrogen 2.817 N/A ALA 117.A N ILE 113.A O no hydrogen 2.863 N/A ILE 118.A N ILE 113.A O no hydrogen 3.136 N/A ALA 119.A N GLY 114.A O no hydrogen 2.796 N/A PHE 121.A N ALA 117.A O no hydrogen 3.218 N/A LEU 122.A N ILE 118.A O no hydrogen 2.889 N/A LEU 123.A N ALA 119.A O no hydrogen 2.615 N/A THR 124.A N PRO 120.A O no hydrogen 2.805 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.615 N/A MET 125.A N PHE 121.A O no hydrogen 2.877 N/A SER 126.A N LEU 122.A O no hydrogen 2.838 N/A SER 126.A OG LEU 122.A O no hydrogen 3.386 N/A PHE 127.A N LEU 123.A O no hydrogen 2.720 N/A ALA 128.A N THR 124.A O no hydrogen 3.085 N/A GLN 129.A N MET 125.A O no hydrogen 3.104 N/A ARG 130.A N SER 126.A O no hydrogen 3.088 N/A ARG 130.A NE ASN 76.A OD1 no hydrogen 2.727 N/A ARG 130.A NH2 ASN 76.A OD1 no hydrogen 2.900 N/A GLN 131.A N ALA 128.A O no hydrogen 2.916 N/A GLN 131.A NE2 CYS 85.A O no hydrogen 2.826 N/A GLN 131.A NE2 PHE 127.A O no hydrogen 3.252 N/A ASN 133.A ND2 VAL 225.A O no hydrogen 2.649 N/A SER 135.A N ASP 86.A O no hydrogen 3.218 N/A ILE 136.A N ARG 178.A O no hydrogen 2.772 N/A VAL 137.A N LEU 88.A O no hydrogen 3.002 N/A ASN 138.A N ASN 180.A O no hydrogen 2.935 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.925 N/A LEU 139.A N ASN 90.A O no hydrogen 2.976 N/A CYS 140.A N VAL 182.A O no hydrogen 2.815 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.847 N/A ALA 142.A N PRO 184.A O no hydrogen 2.908 N/A MET 143.A N ASP 141.A OD1 no hydrogen 2.861 N/A VAL 144.A N ASP 141.A O no hydrogen 3.404 N/A GLN 146.A N MET 143.A O no hydrogen 2.993 N/A LEU 153.A N THR 98.A OG1 no hydrogen 3.425 N/A TYR 154.A OH ASP 141.A OD2 no hydrogen 2.702 N/A ASN 155.A N PHE 151.A O no hydrogen 2.835 N/A ASN 155.A ND2 VAL 144.A O no hydrogen 2.957 N/A MET 156.A N SER 152.A O no hydrogen 2.693 N/A GLY 157.A N LEU 153.A O no hydrogen 2.913 N/A LYS 158.A N TYR 154.A O no hydrogen 2.944 N/A LYS 158.A NZ ASN 116.A OD1 no hydrogen 3.112 N/A LYS 158.A NZ LEU 139.A O no hydrogen 2.964 N/A HIS 159.A N ASN 155.A O no hydrogen 2.921 N/A HIS 159.A NE2 VAL 144.A O no hydrogen 2.848 N/A ALA 160.A N MET 156.A O no hydrogen 2.964 N/A LEU 161.A N GLY 157.A O no hydrogen 2.950 N/A VAL 162.A N LYS 158.A O no hydrogen 3.111 N/A GLY 163.A N HIS 159.A O no hydrogen 3.015 N/A LEU 164.A N ALA 160.A O no hydrogen 2.774 N/A THR 165.A N LEU 161.A O no hydrogen 2.788 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.739 N/A GLN 166.A N VAL 162.A O no hydrogen 3.159 N/A SER 167.A N GLY 163.A O no hydrogen 2.928 N/A SER 167.A OG GLY 163.A O no hydrogen 3.379 N/A ALA 168.A N LEU 164.A O no hydrogen 2.685 N/A ALA 169.A N THR 165.A O no hydrogen 2.848 N/A LEU 170.A N GLN 166.A O no hydrogen 3.035 N/A GLU 171.A N SER 167.A O no hydrogen 2.964 N/A LEU 172.A N ALA 168.A O no hydrogen 2.837 N/A ALA 173.A N ALA 169.A O no hydrogen 3.141 N/A TYR 175.A N LEU 172.A O no hydrogen 3.039 N/A GLY 176.A N ALA 173.A O no hydrogen 2.854 N/A ILE 177.A N LEU 172.A O no hydrogen 3.061 N/A ARG 178.A N LEU 134.A O no hydrogen 3.159 N/A ARG 178.A NE.B ILE 232.A O no hydrogen 2.482 N/A ARG 178.A NH1.A LEU 224.A O no hydrogen 2.592 N/A ARG 178.A NH1.A ILE 232.A O no hydrogen 3.354 N/A ARG 178.A NH1.B LEU 224.A O no hydrogen 2.660 N/A ARG 178.A NH2.A ASN 133.A OD1 no hydrogen 2.943 N/A ARG 178.A NH2.A LEU 224.A O no hydrogen 2.896 N/A ARG 178.A NH2.B LEU 224.A O no hydrogen 2.569 N/A ARG 178.A NH2.B ILE 232.A O no hydrogen 2.916 N/A VAL 179.A N THR 233.A OG1 no hydrogen 3.004 N/A ASN 180.A N ILE 136.A O no hydrogen 2.892 N/A ASN 180.A ND2 ILE 232.A O no hydrogen 2.990 N/A GLY 181.A N SER 235.A O no hydrogen 2.704 N/A VAL 182.A N ASN 138.A O no hydrogen 3.019 N/A ALA 183.A N ILE 237.A O no hydrogen 2.821 N/A GLY 185.A N VAL 239.A O no hydrogen 3.423 N/A SER 187.A OG ALA 212.A O no hydrogen 2.810 N/A MET 193.A N PRO 190.A O no hydrogen 3.211 N/A LYS 198.A N GLY 194.A O no hydrogen 2.973 N/A ASP 199.A N GLU 195.A O no hydrogen 3.014 N/A LYS 200.A N GLU 196.A O no hydrogen 3.175 N/A TRP 201.A N GLU 197.A O no hydrogen 3.429 N/A ARG 202.A N LYS 198.A O no hydrogen 2.860 N/A ARG 202.A NE GLU 211.A OE1 no hydrogen 3.359 N/A ARG 202.A NE GLU 211.A OE2 no hydrogen 2.477 N/A ARG 202.A NH1 GLU 195.A OE2 no hydrogen 2.727 N/A ARG 202.A NH1 ASP 199.A OD1 no hydrogen 3.293 N/A ARG 202.A NH2 GLU 211.A OE1 no hydrogen 2.575 N/A ARG 203.A N ASP 199.A O no hydrogen 2.959 N/A LYS 204.A N TRP 201.A O no hydrogen 2.969 N/A VAL 205.A N ARG 202.A O no hydrogen 3.233 N/A LEU 207.A N GLY 241.A O no hydrogen 2.885 N/A GLY 208.A N PRO 206.A O no hydrogen 3.133 N/A ARG 209.A N VAL 205.A O no hydrogen 2.979 N/A GLU 211.A N GLU 211.A OE2 no hydrogen 2.795 N/A ALA 212.A N VAL 186.A O no hydrogen 2.942 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.125 N/A GLN 216.A N SER 213.A OG no hydrogen 3.092 N/A ILE 217.A N SER 213.A O no hydrogen 3.132 N/A ALA 218.A N ALA 214.A O no hydrogen 2.849 N/A ASP 219.A N GLU 215.A O no hydrogen 2.684 N/A ALA 220.A N ILE 217.A O no hydrogen 3.242 N/A ILE 222.A N ALA 218.A O no hydrogen 2.940 N/A PHE 223.A N ASP 219.A O no hydrogen 2.936 N/A LEU 224.A N ALA 220.A O no hydrogen 2.982 N/A VAL 225.A N VAL 221.A O no hydrogen 2.951 N/A SER 226.A N ILE 222.A O no hydrogen 3.163 N/A SER 226.A N PHE 223.A O no hydrogen 3.027 N/A SER 226.A OG PHE 223.A O no hydrogen 2.778 N/A SER 228.A N SER 226.A OG no hydrogen 3.069 N/A ALA 229.A N SER 226.A O no hydrogen 3.213 N/A ILE 232.A N ALA 229.A O no hydrogen 2.804 N/A GLY 234.A N VAL 179.A O no hydrogen 2.837 N/A SER 235.A N ASN 180.A OD1 no hydrogen 3.024 N/A SER 235.A OG THR 233.A O no hydrogen 3.530 N/A ILE 237.A N GLY 181.A O no hydrogen 2.870 N/A LYS 238.A NZ SER 244.A OG no hydrogen 3.159 N/A VAL 239.A N ALA 183.A O no hydrogen 2.903 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 3.061 N/A LEU 243.A N ASP 240.A O no hydrogen 3.040 N/A SER 244.A N ASP 240.A OD2 no hydrogen 2.858 N/A SER 244.A OG ASP 240.A OD2 no hydrogen 2.683 N/A LEU 245.A N GLY 242.A O no hydrogen 3.036 N/A VAL 246.A N LEU 243.A O no hydrogen 3.250 N/A HIS 247.A ND1 ALA 248.A OXT no hydrogen 2.793 N/A