Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N GLY 16.A O no hydrogen 2.910 N/A CYS 4.A SG.B TRP 5.A O no hydrogen 3.953 N/A TRP 5.A NE1 GLY 63.A O no hydrogen 2.781 N/A ILE 6.A N LEU 14.A O no hydrogen 2.812 N/A TYR 8.A N GLY 12.A O no hydrogen 2.882 N/A GLY 11.A N TYR 8.A O no hydrogen 2.993 N/A GLY 12.A N ASP 10.A OD1 no hydrogen 2.792 N/A SER 13.A N VAL 32.A O no hydrogen 2.976 N/A LEU 14.A N ILE 6.A O no hydrogen 2.924 N/A VAL 15.A N ALA 30.A O no hydrogen 2.835 N/A GLY 16.A N CYS 4.A O no hydrogen 3.027 N/A ASN 19.A N GLU 23.A O no hydrogen 2.934 N/A ASN 19.A ND2 GLU 23.A OE1 no hydrogen 3.219 N/A ASP 21.A N ASN 19.A OD1 no hydrogen 2.876 N/A GLY 22.A N ASN 19.A O no hydrogen 2.903 N/A GLU 23.A N ASN 19.A OD1 no hydrogen 3.087 N/A THR 25.A N GLU 23.A O no hydrogen 2.901 N/A GLY 26.A N PHE 44.A O no hydrogen 3.014 N/A ILE 29.A N GLY 42.A O no hydrogen 3.054 N/A ALA 30.A N VAL 15.A O no hydrogen 2.989 N/A TYR 31.A N LEU 40.A O no hydrogen 2.954 N/A VAL 32.A N SER 13.A O no hydrogen 2.806 N/A TYR 33.A N THR 38.A O no hydrogen 2.902 N/A TYR 33.A OH ASP 94.A OD1 no hydrogen 2.710 N/A GLU 36.A N TYR 33.A O no hydrogen 2.929 N/A ARG 37.A N ASP 35.A OD1 no hydrogen 2.952 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.836 N/A THR 38.A OG1 ASP 35.A OD1 no hydrogen 3.557 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 2.551 N/A ALA 39.A N ALA 55.A O no hydrogen 3.000 N/A LEU 40.A N TYR 31.A O no hydrogen 2.800 N/A TYR 41.A N LYS 53.A O no hydrogen 2.871 N/A GLY 42.A N ILE 29.A O no hydrogen 2.803 N/A LYS 43.A N GLU 51.A O no hydrogen 2.967 N/A PHE 44.A N GLY 26.A O no hydrogen 3.004 N/A ILE 45.A N GLU 48.A O no hydrogen 2.892 N/A ASP 46.A N THR 25.A OG1 no hydrogen 2.723 N/A GLY 47.A N MET 24.A O no hydrogen 2.856 N/A GLU 48.A N ILE 45.A O no hydrogen 2.917 N/A ILE 50.A N LYS 43.A O no hydrogen 2.886 N/A GLU 51.A N LYS 43.A O no hydrogen 3.088 N/A GLY 52.A N TYR 76.A O no hydrogen 2.857 N/A LYS 53.A N TYR 41.A O no hydrogen 2.822 N/A LEU 54.A N SER 74.A O no hydrogen 3.162 N/A ALA 55.A N ALA 39.A O no hydrogen 2.819 N/A THR 56.A N GLU 68.A O no hydrogen 2.826 N/A LEU 57.A N ARG 37.A O no hydrogen 2.770 N/A MET 58.A N HIS 66.A O no hydrogen 2.802 N/A SER 59.A N HIS 66.A O no hydrogen 3.441 N/A SER 59.A OG GLU 61.A OE2 no hydrogen 2.806 N/A GLU 61.A N ARG 64.A O no hydrogen 2.895 N/A ARG 64.A N GLU 61.A O no hydrogen 2.957 N/A ARG 64.A NH1 GLU 17.A OE2 no hydrogen 2.930 N/A ARG 64.A NH2 GLU 17.A OE2 no hydrogen 3.176 N/A HIS 66.A N SER 59.A O no hydrogen 2.790 N/A HIS 66.A ND1 ARG 64.A O no hydrogen 2.941 N/A GLU 68.A N THR 56.A O no hydrogen 2.921 N/A MET 70.A N LEU 54.A O no hydrogen 2.904 N/A TYR 76.A N GLY 52.A O no hydrogen 2.863 N/A PHE 78.A N MET 49.A O no hydrogen 2.895 N/A ASP 79.A N ARG 197.A O no hydrogen 2.783 N/A SER 81.A OG GLY 132.A O no hydrogen 2.683 N/A THR 82.A N CYS 85.A O no hydrogen 2.939 N/A SER 83.A OG.B ARG 134.A O no hydrogen 2.962 N/A SER 84.A N THR 82.A OG1 no hydrogen 3.175 N/A CYS 85.A N THR 82.A OG1 no hydrogen 2.870 N/A SER 87.A OG ASP 79.A OD2 no hydrogen 3.407 N/A THR 88.A N ASP 79.A OD2 no hydrogen 2.806 N/A THR 88.A OG1 ASP 79.A OD1 no hydrogen 2.731 N/A THR 88.A OG1 ASP 79.A OD2 no hydrogen 3.438 N/A ASN 89.A N SER 87.A OG no hydrogen 2.947 N/A LEU 92.A N ASN 89.A O no hydrogen 3.091 N/A TYR 96.A OH VAL 126.A O no hydrogen 2.578 N/A GLU 97.A N ASP 94.A OD2 no hydrogen 2.842 N/A SER 98.A N ASP 94.A O no hydrogen 2.961 N/A SER 98.A OG.A ASP 94.A O no hydrogen 3.418 N/A SER 98.A OG.A PRO 95.A O no hydrogen 2.809 N/A SER 98.A OG.B ASP 94.A O no hydrogen 2.719 N/A GLU 99.A N TYR 96.A O no hydrogen 3.263 N/A ARG 100.A N GLU 97.A O no hydrogen 2.874 N/A ARG 100.A NH1 TYR 96.A O no hydrogen 2.946 N/A ARG 100.A NH2 ASP 35.A OD2 no hydrogen 2.933 N/A VAL 101.A N GLU 97.A O no hydrogen 3.051 N/A TYR 102.A N PHE 116.A O no hydrogen 2.947 N/A TYR 102.A OH ASP 213.A OD1 no hydrogen 2.755 N/A ALA 104.A N GLY 114.A O no hydrogen 3.106 N/A SER 106.A N GLY 112.A O no hydrogen 2.891 N/A SER 106.A OG GLU 215.A OE1 no hydrogen 3.241 N/A SER 106.A OG GLU 215.A OE2 no hydrogen 2.727 N/A LEU 107.A N GLU 215.A OE1 no hydrogen 2.961 N/A ILE 108.A N SER 106.A OG no hydrogen 2.934 N/A ALA 111.A N ILE 108.A O no hydrogen 3.256 N/A GLY 114.A N ALA 104.A O no hydrogen 2.738 N/A PHE 116.A N TYR 102.A O no hydrogen 2.856 N/A SER 117.A N GLU 214.A O no hydrogen 2.908 N/A SER 117.A OG VAL 119.A O no hydrogen 2.529 N/A LYS 118.A N ARG 100.A O no hydrogen 2.807 N/A LYS 118.A NZ SER 98.A O no hydrogen 2.814 N/A VAL 119.A N SER 117.A OG no hydrogen 3.370 N/A VAL 121.A N VAL 210.A O no hydrogen 3.000 N/A ASN 124.A N THR 206.A O no hydrogen 2.783 N/A THR 125.A N THR 206.A OG1 no hydrogen 3.022 N/A THR 125.A OG1 GLY 122.A O no hydrogen 2.870 N/A MET 127.A N ILE 204.A O no hydrogen 2.785 N/A SER 128.A OG GLU 97.A OE2 no hydrogen 2.729 N/A PHE 129.A N GLU 97.A OE2 no hydrogen 2.941 N/A TYR 130.A N LYS 202.A O no hydrogen 2.840 N/A TYR 130.A OH ASN 150.A O no hydrogen 2.681 N/A ASN 131.A N SER 175.A OG no hydrogen 3.354 N/A ASN 131.A ND2 ILE 86.A O no hydrogen 3.242 N/A ASN 131.A ND2 TYR 172.A OH no hydrogen 2.979 N/A VAL 133.A N ASP 161.A O no hydrogen 2.788 N/A ARG 134.A N THR 82.A O no hydrogen 3.040 N/A ARG 134.A NE SER 81.A OG no hydrogen 2.938 N/A ARG 134.A NH1 PRO 200.A O no hydrogen 3.419 N/A ARG 134.A NH2 PHE 198.A O no hydrogen 3.329 N/A ARG 134.A NH2 PRO 200.A O no hydrogen 2.833 N/A ILE 135.A N VAL 159.A O no hydrogen 2.866 N/A HIS 137.A NE2 ASP 155.A O no hydrogen 2.917 N/A GLU 139.A N THR 136.A OG1 no hydrogen 3.103 N/A VAL 140.A N THR 136.A O no hydrogen 3.281 N/A ASP 141.A N HIS 137.A O no hydrogen 2.846 N/A SER 142.A N GLN 138.A O no hydrogen 3.069 N/A SER 142.A OG.A GLN 138.A O no hydrogen 2.846 N/A SER 142.A OG.B GLN 138.A O no hydrogen 2.664 N/A ARG 143.A N VAL 140.A O no hydrogen 3.363 N/A ARG 143.A NE ASN 148.A OD1 no hydrogen 2.800 N/A ARG 143.A NH2 ASN 148.A OD1 no hydrogen 3.011 N/A ARG 143.A NH2 ASP 161.A OD2 no hydrogen 2.965 N/A TRP 145.A NE1 GLU 228.A OE2 no hydrogen 3.038 N/A LEU 147.A N ASP 144.A O no hydrogen 2.943 N/A ASN 148.A N TRP 145.A O no hydrogen 2.807 N/A ASN 148.A ND2 VAL 140.A O no hydrogen 3.038 N/A ASN 148.A ND2 ARG 143.A O no hydrogen 3.455 N/A ASN 150.A ND2 VAL 162.A O no hydrogen 2.962 N/A THR 151.A OG1 ASN 148.A O no hydrogen 3.121 N/A LEU 152.A N ILE 160.A O no hydrogen 2.785 N/A LEU 154.A N THR 158.A O no hydrogen 2.916 N/A ASP 155.A N THR 158.A O no hydrogen 3.339 N/A GLU 157.A N ASP 155.A OD1 no hydrogen 2.780 N/A THR 158.A N ASP 155.A OD1 no hydrogen 2.705 N/A VAL 159.A N ILE 135.A O no hydrogen 2.846 N/A ILE 160.A N LEU 152.A O no hydrogen 2.824 N/A ASP 161.A N VAL 133.A O no hydrogen 2.880 N/A TYR 166.A N PRO 163.A O no hydrogen 2.820 N/A HIS 168.A N PRO 165.A O no hydrogen 3.279 N/A LYS 171.A N HIS 168.A O no hydrogen 2.798 N/A TYR 172.A N HIS 168.A O no hydrogen 3.023 N/A TYR 172.A OH SER 175.A OG no hydrogen 2.666 N/A CYS 173.A N ALA 90.A O no hydrogen 2.832 N/A CYS 173.A SG LEU 91.A O no hydrogen 3.462 N/A SER 175.A OG TYR 172.A OH no hydrogen 2.666 N/A LEU 176.A N GLU 97.A OE2 no hydrogen 2.892 N/A GLY 177.A N PHE 129.A O no hydrogen 2.839 N/A LYS 179.A N LEU 176.A O no hydrogen 2.954 N/A LYS 179.A NZ GLU 113.A OE1 no hydrogen 2.597 N/A LYS 179.A NZ ASN 167.A O no hydrogen 2.827 N/A ALA 180.A N GLY 177.A O no hydrogen 3.274 N/A ASN 181.A ND2 GLU 113.A O no hydrogen 2.930 N/A ASN 181.A ND2 GLU 215.A OE2 no hydrogen 3.216 N/A SER 183.A N VAL 218.A O no hydrogen 2.946 N/A THR 185.A N SER 183.A OG no hydrogen 2.870 N/A THR 185.A OG1 SER 183.A OG no hydrogen 3.367 N/A ASN 187.A N THR 217.A OG1 no hydrogen 3.329 N/A ASN 187.A ND2 GLU 214.A OE2 no hydrogen 3.014 N/A ASN 187.A ND2 GLU 215.A O no hydrogen 2.877 N/A CYS 188.A N THR 217.A O no hydrogen 2.946 N/A CYS 188.A SG ASN 187.A OD1 no hydrogen 3.483 N/A ILE 189.A N ARG 205.A O no hydrogen 2.796 N/A ASP 191.A N CYS 203.A O no hydrogen 3.058 N/A PHE 193.A N ILE 201.A O no hydrogen 3.019 N/A VAL 194.A N ASP 10.A OD2 no hydrogen 2.886 N/A HIS 195.A N GLY 199.A O no hydrogen 2.957 N/A HIS 195.A NE2 ASP 94.A OD1 no hydrogen 2.806 N/A ARG 197.A N HIS 195.A ND1 no hydrogen 2.964 N/A ARG 197.A NH1 LEU 92.A O no hydrogen 2.957 N/A ARG 197.A NH2 LEU 92.A O no hydrogen 3.026 N/A PHE 198.A N HIS 195.A ND1 no hydrogen 3.161 N/A GLY 199.A N HIS 195.A O no hydrogen 2.864 N/A ILE 201.A N PHE 193.A O no hydrogen 2.883 N/A LYS 202.A NZ SER 153.A O no hydrogen 2.745 N/A CYS 203.A N ASP 191.A O no hydrogen 2.753 N/A CYS 203.A SG ASP 191.A O no hydrogen 3.675 N/A ILE 204.A N SER 128.A O no hydrogen 2.824 N/A ARG 205.A N ILE 189.A O no hydrogen 2.935 N/A ARG 205.A NE ASP 191.A OD2 no hydrogen 2.902 N/A ARG 205.A NH1 ASN 124.A O no hydrogen 2.852 N/A ARG 205.A NH1 ASN 124.A OD1.B no hydrogen 3.113 N/A ARG 205.A NH2 ASP 10.A O no hydrogen 3.102 N/A THR 206.A N THR 125.A O no hydrogen 2.901 N/A THR 206.A OG1 GLY 122.A O no hydrogen 2.786 N/A THR 206.A OG1 ARG 208.A O no hydrogen 3.436 N/A LEU 207.A N ASN 187.A O no hydrogen 2.910 N/A ARG 208.A NH1 ALA 209.A O no hydrogen 2.990 N/A ARG 208.A NH1 GLU 214.A OE2 no hydrogen 2.809 N/A ARG 208.A NH2 GLU 214.A OE2 no hydrogen 3.055 N/A VAL 210.A N VAL 121.A O no hydrogen 2.882 N/A GLU 211.A N GLU 214.A OE1 no hydrogen 2.922 N/A ASP 213.A N SER 117.A O no hydrogen 2.699 N/A GLU 214.A N GLU 211.A O no hydrogen 3.243 N/A LEU 216.A N LEU 115.A O no hydrogen 2.702 N/A THR 217.A N ASN 187.A OD1 no hydrogen 2.888 N/A THR 217.A OG1 ASN 187.A OD1 no hydrogen 3.529 N/A VAL 218.A N ASN 181.A O no hydrogen 3.121 N/A TYR 220.A N HIS 182.A ND1 no hydrogen 2.986 N/A TYR 220.A OH ALA 180.A O no hydrogen 2.720 N/A TYR 222.A N TYR 233.A OH no hydrogen 3.376 N/A HIS 224.A NE2 TYR 233.A OH no hydrogen 2.632 N/A SER 225.A N ASP 223.A OD1 no hydrogen 3.175 N/A GLU 228.A N ASP 223.A O no hydrogen 2.973 N/A TYR 233.A N PRO 230.A O no hydrogen 3.241 N/A TYR 233.A OH HIS 224.A NE2 no hydrogen 2.632 N/A GLN 234.A N PRO 230.A O no hydrogen 3.205 N/A GLN 234.A NE2 ALA 229.A O no hydrogen 3.052 N/A VAL 235.A N GLU 231.A O no hydrogen 2.870 N/A GLU 236.A N TRP 232.A O no hydrogen 3.014 N/A LEU 237.A N TYR 233.A O no hydrogen 2.709 N/A LYS 238.A N GLN 234.A O no hydrogen 3.232 N/A ALA 239.A N VAL 235.A O no hydrogen 3.530 N/A PHE 240.A N GLU 236.A O no hydrogen 3.004 N/A GLN 241.A N LEU 237.A O no hydrogen 2.870 N/A ALA 242.A N LYS 238.A O no hydrogen 2.845 N/A THR 243.A N ALA 239.A O no hydrogen 3.032 N/A THR 243.A N PHE 240.A O no hydrogen 3.032 N/A THR 243.A OG1 PHE 240.A O no hydrogen 2.768 N/A GLN 244.A N GLN 241.A O no hydrogen 3.451 N/A GLN 245.A N ALA 242.A O no hydrogen 3.441 N/A