Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N GLY 16.A O no hydrogen 2.920 N/A TRP 5.A NE1 GLY 63.A O no hydrogen 2.776 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 2.859 N/A GLY 11.A N TYR 8.A O no hydrogen 2.953 N/A GLY 12.A N ASP 10.A OD1 no hydrogen 2.825 N/A SER 13.A N VAL 32.A O no hydrogen 2.961 N/A LEU 14.A N ILE 6.A O no hydrogen 2.922 N/A VAL 15.A N ALA 30.A O no hydrogen 2.850 N/A GLY 16.A N CYS 4.A O no hydrogen 3.066 N/A ASN 19.A N GLU 23.A O no hydrogen 2.924 N/A ASN 19.A ND2 GLU 23.A OE1 no hydrogen 3.098 N/A ASP 21.A N ASN 19.A OD1 no hydrogen 2.842 N/A GLY 22.A N ASN 19.A O no hydrogen 2.687 N/A GLU 23.A N ASN 19.A OD1 no hydrogen 3.001 N/A THR 25.A N GLU 23.A O no hydrogen 2.913 N/A GLY 26.A N PHE 44.A O no hydrogen 3.022 N/A ILE 29.A N GLY 42.A O no hydrogen 3.057 N/A ALA 30.A N VAL 15.A O no hydrogen 2.958 N/A TYR 31.A N LEU 40.A O no hydrogen 2.925 N/A VAL 32.A N SER 13.A O no hydrogen 2.819 N/A TYR 33.A N THR 38.A O no hydrogen 2.872 N/A TYR 33.A OH ASP 94.A OD2 no hydrogen 2.741 N/A GLU 36.A N TYR 33.A O no hydrogen 2.897 N/A ARG 37.A N ASP 35.A OD1 no hydrogen 2.938 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.852 N/A THR 38.A OG1 ASP 35.A OD1 no hydrogen 3.553 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 2.590 N/A ALA 39.A N ALA 55.A O no hydrogen 2.983 N/A LEU 40.A N TYR 31.A O no hydrogen 2.863 N/A TYR 41.A N LYS 53.A O no hydrogen 2.843 N/A GLY 42.A N ILE 29.A O no hydrogen 2.820 N/A LYS 43.A N GLU 51.A O no hydrogen 2.901 N/A PHE 44.A N GLY 26.A O no hydrogen 3.075 N/A ILE 45.A N GLU 48.A O no hydrogen 2.903 N/A ASP 46.A N THR 25.A OG1 no hydrogen 2.848 N/A GLY 47.A N MET 24.A O no hydrogen 2.885 N/A GLU 48.A N ILE 45.A O no hydrogen 2.886 N/A ILE 50.A N LYS 43.A O no hydrogen 2.822 N/A GLU 51.A N LYS 43.A O no hydrogen 3.083 N/A GLY 52.A N TYR 76.A O no hydrogen 2.909 N/A LYS 53.A N TYR 41.A O no hydrogen 2.871 N/A LEU 54.A N SER 74.A O no hydrogen 3.320 N/A ALA 55.A N ALA 39.A O no hydrogen 2.876 N/A THR 56.A N GLU 68.A O no hydrogen 2.860 N/A LEU 57.A N ARG 37.A O no hydrogen 2.799 N/A MET 58.A N HIS 66.A O no hydrogen 2.824 N/A SER 59.A OG GLU 61.A OE2 no hydrogen 2.950 N/A GLU 61.A N ARG 64.A O no hydrogen 2.854 N/A ARG 64.A N GLU 61.A O no hydrogen 2.965 N/A ARG 64.A NH1 GLU 17.A OE2 no hydrogen 2.995 N/A ARG 64.A NH2 GLU 17.A OE2 no hydrogen 3.249 N/A HIS 66.A N SER 59.A O no hydrogen 2.852 N/A HIS 66.A ND1.A ARG 64.A O no hydrogen 3.146 N/A GLU 68.A N THR 56.A O no hydrogen 2.931 N/A MET 70.A N LEU 54.A O no hydrogen 2.833 N/A TYR 76.A N GLY 52.A O no hydrogen 2.874 N/A PHE 78.A N MET 49.A O no hydrogen 2.955 N/A ASP 79.A N ARG 197.A O no hydrogen 2.804 N/A SER 81.A OG GLY 132.A O no hydrogen 2.663 N/A THR 82.A N CYS 85.A O no hydrogen 2.908 N/A SER 84.A N THR 82.A OG1 no hydrogen 3.202 N/A CYS 85.A N THR 82.A OG1 no hydrogen 2.865 N/A SER 87.A OG ASP 79.A OD1 no hydrogen 3.393 N/A THR 88.A N ASP 79.A OD1 no hydrogen 2.798 N/A THR 88.A OG1 ASP 79.A OD1 no hydrogen 3.390 N/A THR 88.A OG1 ASP 79.A OD2 no hydrogen 2.671 N/A ASN 89.A N SER 87.A OG no hydrogen 2.961 N/A LEU 92.A N ASN 89.A O no hydrogen 3.174 N/A ASP 94.A N ALA 174.A O no hydrogen 3.168 N/A TYR 96.A OH VAL 126.A O no hydrogen 2.588 N/A GLU 97.A N ASP 94.A OD1 no hydrogen 2.895 N/A SER 98.A N ASP 94.A O no hydrogen 2.986 N/A SER 98.A OG ASP 94.A O no hydrogen 3.441 N/A SER 98.A OG PRO 95.A O no hydrogen 2.923 N/A GLU 99.A N TYR 96.A O no hydrogen 3.254 N/A ARG 100.A N GLU 97.A O no hydrogen 2.851 N/A ARG 100.A NH1 TYR 96.A O no hydrogen 2.940 N/A ARG 100.A NH2 ASP 35.A OD2 no hydrogen 3.019 N/A VAL 101.A N GLU 97.A O no hydrogen 3.049 N/A TYR 102.A N PHE 116.A O no hydrogen 2.977 N/A TYR 102.A OH ASP 213.A OD2 no hydrogen 2.690 N/A ALA 104.A N GLY 114.A O no hydrogen 3.179 N/A SER 106.A N GLY 112.A O no hydrogen 2.732 N/A SER 106.A OG GLU 215.A OE1 no hydrogen 3.233 N/A SER 106.A OG GLU 215.A OE2 no hydrogen 2.735 N/A LEU 107.A N GLU 215.A OE1 no hydrogen 2.863 N/A ILE 108.A N SER 106.A OG no hydrogen 2.949 N/A GLY 114.A N ALA 104.A O no hydrogen 2.666 N/A PHE 116.A N TYR 102.A O no hydrogen 2.926 N/A SER 117.A N GLU 214.A O no hydrogen 2.905 N/A SER 117.A OG VAL 119.A O no hydrogen 2.527 N/A LYS 118.A N ARG 100.A O no hydrogen 2.866 N/A LYS 118.A NZ SER 98.A O no hydrogen 2.734 N/A VAL 119.A N SER 117.A OG no hydrogen 3.395 N/A VAL 121.A N VAL 210.A O no hydrogen 2.964 N/A ASN 124.A N THR 206.A O no hydrogen 2.822 N/A THR 125.A N THR 206.A OG1 no hydrogen 2.977 N/A THR 125.A OG1 GLY 122.A O no hydrogen 2.825 N/A MET 127.A N ILE 204.A O no hydrogen 2.822 N/A SER 128.A OG GLU 97.A OE2 no hydrogen 2.666 N/A PHE 129.A N GLU 97.A OE2 no hydrogen 2.916 N/A ALA 130.A N LYS 202.A O no hydrogen 2.870 N/A ASN 131.A ND2 ILE 86.A O no hydrogen 3.356 N/A ASN 131.A ND2 TYR 172.A OH no hydrogen 2.996 N/A VAL 133.A N ASP 161.A O no hydrogen 2.768 N/A ARG 134.A N THR 82.A O no hydrogen 3.045 N/A ARG 134.A NE SER 81.A OG no hydrogen 2.941 N/A ARG 134.A NH1 PRO 200.A O no hydrogen 3.546 N/A ARG 134.A NH2 PHE 198.A O no hydrogen 3.490 N/A ARG 134.A NH2 PRO 200.A O no hydrogen 2.853 N/A ILE 135.A N VAL 159.A O no hydrogen 2.954 N/A HIS 137.A NE2 ASP 155.A O no hydrogen 2.908 N/A GLU 139.A N THR 136.A OG1 no hydrogen 3.213 N/A VAL 140.A N THR 136.A O no hydrogen 3.302 N/A ASP 141.A N HIS 137.A O no hydrogen 2.900 N/A SER 142.A N GLN 138.A O no hydrogen 2.989 N/A SER 142.A OG GLN 138.A O no hydrogen 2.562 N/A ARG 143.A N VAL 140.A O no hydrogen 3.398 N/A ARG 143.A NE ASN 148.A OD1 no hydrogen 2.839 N/A ARG 143.A NH2 ASN 148.A OD1 no hydrogen 3.034 N/A ARG 143.A NH2 ASP 161.A OD2 no hydrogen 3.024 N/A TRP 145.A NE1 GLU 228.A OE2 no hydrogen 3.143 N/A ALA 146.A N ASP 144.A OD2.B no hydrogen 2.819 N/A LEU 147.A N ASP 144.A O no hydrogen 2.915 N/A ASN 148.A N TRP 145.A O no hydrogen 2.796 N/A ASN 148.A ND2 VAL 140.A O no hydrogen 2.961 N/A ASN 148.A ND2 ARG 143.A O no hydrogen 3.434 N/A ASN 150.A ND2 VAL 162.A O no hydrogen 2.789 N/A THR 151.A OG1 ASN 148.A O no hydrogen 3.120 N/A LEU 152.A N ILE 160.A O no hydrogen 2.815 N/A LEU 154.A N THR 158.A O no hydrogen 2.893 N/A ASP 155.A N THR 158.A O no hydrogen 3.395 N/A GLU 157.A N ASP 155.A OD1 no hydrogen 2.788 N/A THR 158.A N ASP 155.A OD1 no hydrogen 2.797 N/A THR 158.A OG1 ASP 155.A OD1 no hydrogen 3.534 N/A VAL 159.A N ILE 135.A O no hydrogen 2.793 N/A ILE 160.A N LEU 152.A O no hydrogen 2.752 N/A ASP 161.A N VAL 133.A O no hydrogen 2.869 N/A TYR 166.A N PRO 163.A O no hydrogen 2.798 N/A HIS 168.A N PRO 165.A O no hydrogen 3.204 N/A LYS 171.A N HIS 168.A O no hydrogen 2.837 N/A TYR 172.A N HIS 168.A O no hydrogen 3.146 N/A TYR 172.A OH SER 175.A OG no hydrogen 2.714 N/A CYS 173.A N ALA 90.A O no hydrogen 2.828 N/A CYS 173.A SG LEU 91.A O no hydrogen 3.506 N/A SER 175.A OG TYR 172.A OH no hydrogen 2.714 N/A LEU 176.A N GLU 97.A OE2 no hydrogen 2.838 N/A GLY 177.A N PHE 129.A O no hydrogen 2.851 N/A LYS 179.A N LEU 176.A O no hydrogen 2.928 N/A LYS 179.A NZ GLU 113.A OE1 no hydrogen 2.592 N/A LYS 179.A NZ ASN 167.A O no hydrogen 2.804 N/A ALA 180.A N GLY 177.A O no hydrogen 3.263 N/A ASN 181.A ND2 GLU 113.A O no hydrogen 3.047 N/A ASN 181.A ND2 GLU 215.A OE2 no hydrogen 3.207 N/A SER 183.A N VAL 218.A O no hydrogen 3.022 N/A SER 183.A OG THR 185.A OG1 no hydrogen 3.430 N/A THR 185.A N SER 183.A OG no hydrogen 2.975 N/A THR 185.A OG1 SER 183.A OG no hydrogen 3.430 N/A ASN 187.A N THR 217.A OG1 no hydrogen 3.392 N/A ASN 187.A ND2 GLU 214.A OE2 no hydrogen 3.005 N/A ASN 187.A ND2 GLU 215.A O no hydrogen 2.897 N/A CYS 188.A N THR 217.A O no hydrogen 3.007 N/A CYS 188.A SG ASN 187.A OD1 no hydrogen 3.511 N/A ILE 189.A N ARG 205.A O no hydrogen 2.793 N/A ASP 191.A N CYS 203.A O no hydrogen 3.044 N/A PHE 193.A N ILE 201.A O no hydrogen 3.003 N/A VAL 194.A N ASP 10.A OD2 no hydrogen 2.843 N/A HIS 195.A N GLY 199.A O no hydrogen 2.924 N/A HIS 195.A NE2 ASP 94.A OD2 no hydrogen 2.740 N/A ARG 197.A N HIS 195.A ND1 no hydrogen 3.042 N/A ARG 197.A NH1 LEU 92.A O no hydrogen 2.943 N/A ARG 197.A NH2 LEU 92.A O no hydrogen 3.038 N/A PHE 198.A N HIS 195.A ND1 no hydrogen 3.182 N/A GLY 199.A N HIS 195.A O no hydrogen 2.861 N/A ILE 201.A N PHE 193.A O no hydrogen 2.857 N/A LYS 202.A NZ SER 153.A O no hydrogen 2.757 N/A CYS 203.A N ASP 191.A O no hydrogen 2.740 N/A CYS 203.A SG ASP 191.A O no hydrogen 3.685 N/A ILE 204.A N SER 128.A O no hydrogen 2.836 N/A ARG 205.A N ILE 189.A O no hydrogen 2.944 N/A ARG 205.A NE ASP 191.A OD2 no hydrogen 2.965 N/A ARG 205.A NH1 ASN 124.A O no hydrogen 2.921 N/A ARG 205.A NH1 ASN 124.A OD1.B no hydrogen 3.424 N/A ARG 205.A NH2 ASP 10.A O no hydrogen 3.160 N/A THR 206.A N THR 125.A O no hydrogen 2.870 N/A THR 206.A OG1 GLY 122.A O no hydrogen 2.798 N/A THR 206.A OG1 ARG 208.A O no hydrogen 3.461 N/A LEU 207.A N ASN 187.A O no hydrogen 2.754 N/A ARG 208.A NH1 ALA 209.A O no hydrogen 3.089 N/A ARG 208.A NH1 GLU 214.A OE2 no hydrogen 2.794 N/A ARG 208.A NH2 GLU 214.A OE2 no hydrogen 3.003 N/A VAL 210.A N VAL 121.A O no hydrogen 2.840 N/A GLU 211.A N GLU 214.A OE1 no hydrogen 2.984 N/A ASP 213.A N SER 117.A O no hydrogen 2.651 N/A GLU 214.A N GLU 211.A O no hydrogen 3.276 N/A LEU 216.A N LEU 115.A O no hydrogen 2.715 N/A THR 217.A N ASN 187.A OD1 no hydrogen 2.901 N/A VAL 218.A N ASN 181.A O no hydrogen 3.091 N/A TYR 220.A N HIS 182.A ND1 no hydrogen 2.910 N/A TYR 220.A OH ALA 180.A O no hydrogen 2.712 N/A TYR 222.A N TYR 233.A OH no hydrogen 3.323 N/A HIS 224.A NE2 TYR 233.A OH no hydrogen 2.587 N/A SER 225.A N ASP 223.A OD1 no hydrogen 3.311 N/A GLU 228.A N ASP 223.A O no hydrogen 3.072 N/A TYR 233.A N PRO 230.A O no hydrogen 3.248 N/A TYR 233.A OH HIS 224.A NE2 no hydrogen 2.587 N/A GLN 234.A N PRO 230.A O no hydrogen 3.111 N/A VAL 235.A N GLU 231.A O no hydrogen 2.878 N/A GLU 236.A N TRP 232.A O no hydrogen 3.029 N/A LEU 237.A N TYR 233.A O no hydrogen 2.689 N/A LYS 238.A N GLN 234.A O no hydrogen 3.363 N/A LYS 238.A N VAL 235.A O no hydrogen 3.086 N/A ALA 239.A N VAL 235.A O no hydrogen 3.322 N/A PHE 240.A N GLU 236.A O no hydrogen 2.927 N/A GLN 241.A N LEU 237.A O no hydrogen 2.833 N/A ALA 242.A N LYS 238.A O no hydrogen 2.809 N/A THR 243.A N ALA 239.A O no hydrogen 3.012 N/A THR 243.A OG1 PHE 240.A O no hydrogen 3.037 N/A GLN 244.A N GLN 241.A O no hydrogen 3.250 N/A