Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3erg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 27.A O no hydrogen 3.406 N/A ILE 2.A N GLU 58.A O no hydrogen 2.783 N/A ILE 3.A N GLN 29.A O no hydrogen 2.892 N/A TYR 4.A N VAL 56.A O no hydrogen 2.893 N/A TYR 4.A OH GLU 58.A OE1 no hydrogen 2.577 N/A ASP 5.A N VAL 31.A O no hydrogen 3.035 N/A GLY 9.A N THR 6.A O no hydrogen 3.185 N/A TYR 11.A OH ASP 108.A OD1 no hydrogen 2.448 N/A ALA 13.A N GLY 9.A O no hydrogen 2.830 N/A ARG 14.A N TYR 11.A O no hydrogen 2.861 N/A ARG 14.A NH1 GLU 103.A OE2 no hydrogen 2.775 N/A ARG 14.A NH2 GLU 103.A OE2 no hydrogen 3.148 N/A VAL 15.A N PRO 12.A O no hydrogen 3.164 N/A ARG 16.A N PRO 12.A O no hydrogen 3.044 N/A ARG 16.A NE ASP 5.A OD2 no hydrogen 2.784 N/A ARG 16.A NH2 ASP 5.A OD1 no hydrogen 3.133 N/A ARG 16.A NH2 ASP 5.A OD2 no hydrogen 3.184 N/A ILE 17.A N ALA 13.A O no hydrogen 2.951 N/A ALA 18.A N ARG 14.A O no hydrogen 3.278 N/A LEU 19.A N VAL 15.A O no hydrogen 2.777 N/A ALA 20.A N ARG 16.A O no hydrogen 3.082 N/A GLU 21.A N ILE 17.A O no hydrogen 2.906 N/A LYS 22.A N ALA 18.A O no hydrogen 3.058 N/A LYS 22.A N LEU 19.A O no hydrogen 3.172 N/A LYS 22.A NZ ASP 76.A O no hydrogen 3.176 N/A LYS 22.A NZ ASP 76.A OD1 no hydrogen 2.932 N/A LYS 22.A NZ ASP 79.A OD2 no hydrogen 2.549 N/A ASN 23.A N ALA 20.A O no hydrogen 3.000 N/A MET 24.A N LEU 19.A O no hydrogen 2.922 N/A SER 27.A N MET 24.A O no hydrogen 2.889 N/A GLN 29.A N MET 1.A O no hydrogen 2.957 N/A VAL 31.A N ILE 3.A O no hydrogen 2.789 N/A ILE 33.A N ASP 5.A O no hydrogen 2.810 N/A ASN 34.A N GLU 39.A OE1 no hydrogen 3.013 N/A LYS 37.A N ASN 34.A OD1 no hydrogen 2.861 N/A GLY 38.A N LEU 35.A O no hydrogen 2.801 N/A GLU 39.A N ASN 34.A O no hydrogen 3.103 N/A LYS 41.A N GLY 38.A O no hydrogen 2.952 N/A LYS 41.A NZ GLY 52.A O no hydrogen 2.965 N/A LYS 42.A N GLU 39.A O no hydrogen 3.437 N/A LYS 42.A NZ LYS 37.A O no hydrogen 3.557 N/A LEU 46.A N LYS 42.A O no hydrogen 3.049 N/A ALA 47.A N PRO 43.A O no hydrogen 3.020 N/A ASN 49.A N PHE 45.A O no hydrogen 2.907 N/A ASN 49.A ND2 THR 53.A O no hydrogen 2.698 N/A SER 51.A N ASN 49.A OD1 no hydrogen 3.046 N/A GLY 52.A N ASN 49.A O no hydrogen 2.929 N/A VAL 56.A N TYR 4.A O no hydrogen 3.054 N/A LEU 57.A N ILE 65.A O no hydrogen 2.837 N/A GLU 58.A N ILE 2.A O no hydrogen 2.539 N/A LEU 59.A N THR 63.A O no hydrogen 2.889 N/A GLY 62.A N LEU 59.A O no hydrogen 3.123 N/A THR 63.A N ASP 61.A OD1 no hydrogen 2.935 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.628 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.150 N/A ILE 65.A N LEU 57.A O no hydrogen 2.635 N/A CYS 68.A SG TYR 11.A O no hydrogen 3.239 N/A THR 69.A OG1 GLU 103.A OE2 no hydrogen 3.299 N/A ILE 71.A N GLU 67.A O no hydrogen 2.879 N/A THR 72.A N CYS 68.A O no hydrogen 2.936 N/A THR 72.A OG1 CYS 68.A O no hydrogen 2.729 N/A GLU 73.A N THR 69.A O no hydrogen 2.882 N/A TYR 74.A N ALA 70.A O no hydrogen 2.906 N/A ILE 75.A N ILE 71.A O no hydrogen 3.047 N/A ASP 76.A N THR 72.A O no hydrogen 2.888 N/A ALA 77.A N TYR 74.A O no hydrogen 3.047 N/A GLY 80.A N ALA 77.A O no hydrogen 3.095 N/A THR 81.A N ASP 79.A OD1 no hydrogen 3.227 N/A THR 81.A OG1 ASP 79.A OD1 no hydrogen 2.456 N/A THR 83.A N ASP 76.A OD1 no hydrogen 2.816 N/A THR 83.A OG1 THR 81.A O no hydrogen 3.516 N/A LEU 84.A N ASP 76.A OD1 no hydrogen 2.979 N/A THR 85.A OG1 GLU 73.A OE1 no hydrogen 3.498 N/A LYS 87.A N GLU 91.A OE1 no hydrogen 2.815 N/A THR 88.A N GLU 91.A OE1 no hydrogen 2.923 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.130 N/A LYS 92.A N THR 88.A O no hydrogen 3.078 N/A LYS 92.A NZ GLY 86.A O no hydrogen 3.446 N/A LYS 92.A NZ LYS 87.A O no hydrogen 3.561 N/A GLY 93.A N PRO 89.A O no hydrogen 3.140 N/A VAL 94.A N LEU 90.A O no hydrogen 3.192 N/A ILE 95.A N GLU 91.A O no hydrogen 3.055 N/A HIS 96.A N LYS 92.A O no hydrogen 2.952 N/A HIS 96.A ND1 LYS 92.A O no hydrogen 3.020 N/A HIS 96.A NE2 GLU 73.A OE1 no hydrogen 2.708 N/A MET 97.A N GLY 93.A O no hydrogen 2.807 N/A MET 98.A N VAL 94.A O no hydrogen 2.893 N/A ASN 99.A N ILE 95.A O no hydrogen 2.876 N/A ASN 99.A ND2 THR 69.A OG1 no hydrogen 3.086 N/A LYS 100.A N HIS 96.A O no hydrogen 2.999 N/A ARG 101.A N MET 97.A O no hydrogen 2.812 N/A ARG 101.A NH1 TYR 147.A OH no hydrogen 2.766 N/A ALA 102.A N MET 98.A O no hydrogen 2.800 N/A GLU 103.A N ASN 99.A O no hydrogen 3.101 N/A LEU 104.A N LYS 100.A O no hydrogen 2.785 N/A GLU 105.A N ARG 101.A O no hydrogen 2.764 N/A LEU 106.A N ALA 102.A O no hydrogen 3.277 N/A LEU 107.A N ALA 102.A O no hydrogen 2.934 N/A ASP 108.A N GLU 103.A O no hydrogen 2.817 N/A VAL 110.A N LEU 106.A O no hydrogen 3.161 N/A SER 111.A N LEU 107.A O no hydrogen 3.226 N/A VAL 112.A N ASP 108.A O no hydrogen 2.808 N/A TYR 113.A N PRO 109.A O no hydrogen 2.888 N/A PHE 114.A N VAL 110.A O no hydrogen 2.820 N/A HIS 115.A N SER 111.A O no hydrogen 3.126 N/A HIS 115.A ND1 GLU 126.A OE2 no hydrogen 2.622 N/A HIS 116.A N VAL 112.A O no hydrogen 2.840 N/A HIS 116.A N TYR 113.A O no hydrogen 3.258 N/A ALA 117.A N TYR 113.A O no hydrogen 2.775 N/A THR 118.A OG1 PHE 114.A O no hydrogen 2.503 N/A GLY 120.A N THR 118.A OG1 no hydrogen 3.074 N/A LEU 121.A N GLU 126.A OE2 no hydrogen 3.095 N/A GLY 122.A N PRO 119.A O no hydrogen 3.065 N/A VAL 125.A N GLY 122.A O no hydrogen 3.070 N/A GLU 126.A N GLY 122.A O no hydrogen 2.730 N/A LEU 127.A N VAL 125.A O no hydrogen 2.946 N/A GLN 129.A NE2 HIS 115.A O no hydrogen 2.645 N/A GLN 129.A NE2 THR 118.A O no hydrogen 2.812 N/A ASN 130.A N HIS 116.A ND1 no hydrogen 3.033 N/A ASN 130.A ND2 TYR 128.A OH no hydrogen 3.025 N/A TRP 133.A N ASN 130.A OD1 no hydrogen 3.001 N/A GLY 134.A N ASN 130.A O no hydrogen 2.952 N/A LEU 135.A N LYS 131.A O no hydrogen 2.813 N/A ARG 136.A N GLU 132.A O no hydrogen 3.015 N/A GLN 137.A N TRP 133.A O no hydrogen 2.936 N/A ARG 138.A N GLY 134.A O no hydrogen 3.012 N/A ASP 139.A N LEU 135.A O no hydrogen 3.241 N/A LYS 140.A N ARG 136.A O no hydrogen 2.978 N/A ALA 141.A N GLN 137.A O no hydrogen 2.946 N/A LEU 142.A N ARG 138.A O no hydrogen 3.023 N/A HIS 143.A N ASP 139.A O no hydrogen 2.990 N/A HIS 143.A ND1 ASP 139.A O no hydrogen 3.057 N/A GLY 144.A N LYS 140.A O no hydrogen 2.862 N/A MET 145.A N ALA 141.A O no hydrogen 2.940 N/A HIS 146.A N LEU 142.A O no hydrogen 3.290 N/A TYR 147.A N HIS 143.A O no hydrogen 2.843 N/A PHE 148.A N GLY 144.A O no hydrogen 2.911 N/A ASP 149.A N MET 145.A O no hydrogen 2.903 N/A THR 150.A N HIS 146.A O no hydrogen 3.091 N/A THR 150.A OG1 TYR 147.A O no hydrogen 2.811 N/A VAL 151.A N TYR 147.A O no hydrogen 3.226 N/A LEU 152.A N PHE 148.A O no hydrogen 2.932 N/A ARG 153.A N ASP 149.A O no hydrogen 3.280 N/A GLU 154.A N VAL 151.A O no hydrogen 2.992 N/A ARG 155.A N VAL 151.A O no hydrogen 3.185 N/A ARG 155.A NH1 VAL 158.A O no hydrogen 2.789 N/A TYR 157.A N GLY 160.A O no hydrogen 2.910 N/A VAL 158.A N ASP 167.A OD1 no hydrogen 2.903 N/A GLY 160.A N TYR 157.A O no hydrogen 3.211 N/A SER 164.A N ASP 167.A OD2 no hydrogen 2.783 N/A MET 165.A N LEU 84.A O no hydrogen 2.918 N/A ALA 166.A N SER 164.A OG no hydrogen 3.032 N/A ILE 168.A N SER 164.A O no hydrogen 3.339 N/A THR 169.A N MET 165.A O no hydrogen 3.046 N/A THR 169.A OG1 ASN 99.A OD1 no hydrogen 2.692 N/A THR 169.A OG1 MET 165.A O no hydrogen 3.141 N/A VAL 170.A N ALA 166.A O no hydrogen 3.344 N/A ILE 171.A N ASP 167.A O no hydrogen 2.968 N/A ALA 172.A N ILE 168.A O no hydrogen 3.062 N/A GLY 173.A N THR 169.A O no hydrogen 2.847 N/A LEU 174.A N VAL 170.A O no hydrogen 2.784 N/A ILE 175.A N ILE 171.A O no hydrogen 2.778 N/A PHE 176.A N ALA 172.A O no hydrogen 2.991 N/A ALA 177.A N GLY 173.A O no hydrogen 2.913 N/A ALA 178.A N LEU 174.A O no hydrogen 3.220 N/A ILE 179.A N ILE 175.A O no hydrogen 3.189 N/A VAL 180.A N PHE 176.A O no hydrogen 3.246 N/A LYS 181.A N ALA 178.A O no hydrogen 3.164 N/A LEU 182.A N ALA 177.A O no hydrogen 2.873 N/A CYS 188.A N PRO 185.A O no hydrogen 2.863 N/A CYS 188.A SG HIS 146.A ND1 no hydrogen 3.385 N/A GLU 189.A N GLU 187.A O no hydrogen 2.833 N/A LEU 191.A N ASP 149.A OD1 no hydrogen 2.944 N/A ARG 192.A N CYS 188.A O no hydrogen 3.026 N/A ALA 193.A N GLU 189.A O no hydrogen 2.974 N/A TRP 194.A N ALA 190.A O no hydrogen 2.975 N/A TRP 194.A NE1 ASP 167.A OD1 no hydrogen 3.062 N/A TYR 195.A N LEU 191.A O no hydrogen 2.859 N/A LYS 196.A N ARG 192.A O no hydrogen 2.927 N/A ARG 197.A N ALA 193.A O no hydrogen 3.319 N/A ARG 197.A NH1 PRO 156.A O no hydrogen 3.436 N/A ARG 197.A NH2 PRO 156.A O no hydrogen 2.785 N/A MET 198.A N TRP 194.A O no hydrogen 2.972 N/A GLN 199.A N TYR 195.A O no hydrogen 2.916 N/A GLN 200.A N ARG 197.A O no hydrogen 3.076 N/A ARG 201.A N MET 198.A O no hydrogen 2.988 N/A ARG 201.A NE GLU 21.A OE2 no hydrogen 3.166 N/A ARG 201.A NH2 GLU 21.A OE2 no hydrogen 2.362 N/A SER 203.A OG GLU 21.A OE1 no hydrogen 2.334 N/A LYS 205.A N ARG 201.A O no hydrogen 2.622 N/A LYS 206.A N PRO 202.A O no hydrogen 2.733 N/A LEU 208.A N VAL 204.A O no hydrogen 2.975 N/A