Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ays_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 ASP 14.A OD1 no hydrogen 2.984 N/A THR 5.A N ASP 2.A OD2 no hydrogen 2.897 N/A THR 5.A OG1 ASP 2.A OD2 no hydrogen 2.434 N/A PHE 6.A N ASP 2.A O no hydrogen 2.809 N/A ARG 7.A N TRP 3.A O no hydrogen 2.663 N/A ARG 7.A NH1 ILE 12.A O no hydrogen 2.893 N/A ARG 8.A N THR 4.A O no hydrogen 3.063 N/A VAL 9.A N THR 5.A O no hydrogen 3.033 N/A PHE 10.A N PHE 6.A O no hydrogen 3.295 N/A LEU 11.A N ARG 8.A O no hydrogen 3.123 N/A ILE 12.A N ARG 7.A O no hydrogen 2.983 N/A ASP 13.A N THR 56.A OG1 no hydrogen 3.294 N/A ALA 15.A N ASP 13.A OD1 no hydrogen 2.696 N/A TRP 16.A N ASP 13.A O no hydrogen 3.210 N/A TRP 16.A NE1 CYS 59.A O no hydrogen 2.896 N/A ARG 17.A N ASP 14.A O no hydrogen 2.976 N/A ARG 17.A NE GLU 21.A OE1 no hydrogen 3.217 N/A ARG 17.A NH2 GLU 21.A OE2 no hydrogen 3.191 N/A LEU 19.A N TRP 16.A O no hydrogen 3.107 N/A MET 20.A N TRP 16.A O no hydrogen 3.086 N/A MET 20.A N ARG 17.A O no hydrogen 3.203 N/A GLU 21.A N ARG 17.A O no hydrogen 2.843 N/A GLU 23.A N MET 20.A O no hydrogen 2.892 N/A LEU 24.A N GLU 21.A O no hydrogen 2.800 N/A ALA 25.A N PRO 22.A O no hydrogen 3.156 N/A ASN 26.A N GLU 23.A O no hydrogen 3.014 N/A LEU 28.A N ASN 26.A OD1 no hydrogen 2.935 N/A THR 29.A N ASN 26.A O no hydrogen 2.653 N/A THR 29.A OG1 GLU 23.A O no hydrogen 2.755 N/A THR 29.A OG1 GLU 23.A OE1 no hydrogen 3.400 N/A ALA 30.A N ASN 26.A O no hydrogen 3.336 N/A HIS 31.A N PRO 27.A O no hydrogen 2.879 N/A LEU 32.A N LEU 28.A O no hydrogen 2.807 N/A LEU 33.A N THR 29.A O no hydrogen 3.012 N/A ALA 34.A N ALA 30.A O no hydrogen 3.209 N/A GLU 35.A N HIS 31.A O no hydrogen 2.795 N/A TYR 36.A N LEU 32.A O no hydrogen 2.647 N/A ASN 37.A N LEU 33.A O no hydrogen 2.587 N/A ARG 38.A N ALA 34.A O no hydrogen 2.873 N/A ARG 39.A N GLU 35.A O no hydrogen 2.970 N/A ARG 39.A NE GLU 35.A OE2 no hydrogen 2.981 N/A ARG 39.A NH1 GLU 43.A OE2 no hydrogen 3.353 N/A CYS 40.A N TYR 36.A O no hydrogen 2.943 N/A CYS 40.A SG TYR 36.A O no hydrogen 3.636 N/A GLN 41.A N ASN 37.A O no hydrogen 3.170 N/A GLN 41.A N ARG 38.A O no hydrogen 2.998 N/A GLN 41.A NE2 ASN 37.A O no hydrogen 2.709 N/A GLN 41.A NE2 ASN 37.A OD1 no hydrogen 3.330 N/A THR 42.A N ARG 38.A O no hydrogen 3.062 N/A THR 42.A N ARG 39.A O no hydrogen 2.970 N/A THR 42.A OG1 ARG 38.A O no hydrogen 2.688 N/A THR 42.A OG1 ARG 39.A O no hydrogen 3.077 N/A GLU 43.A N ARG 39.A O no hydrogen 2.829 N/A LEU 46.A N VAL 136.A O no hydrogen 2.750 N/A ARG 49.A NE TYR 36.A OH no hydrogen 3.159 N/A ARG 49.A NH2 ASN 37.A OD1 no hydrogen 3.037 N/A ASP 51.A N PRO 48.A O no hydrogen 2.709 N/A VAL 52.A N PRO 48.A O no hydrogen 3.268 N/A VAL 52.A N ARG 49.A O no hydrogen 3.203 N/A SER 54.A N ASP 51.A O no hydrogen 2.854 N/A SER 54.A OG ASP 51.A O no hydrogen 3.307 N/A SER 54.A OG HIS 81.A O no hydrogen 2.748 N/A THR 56.A N PHE 53.A O no hydrogen 2.822 N/A THR 56.A OG1 PHE 53.A O no hydrogen 2.887 N/A ARG 57.A N SER 54.A O no hydrogen 2.893 N/A ARG 57.A NH1 GLU 50.A O no hydrogen 2.718 N/A ARG 57.A NH2 LEU 11.A O no hydrogen 2.807 N/A ARG 57.A NH2 GLU 50.A O no hydrogen 2.957 N/A TYR 58.A N SER 54.A O no hydrogen 3.409 N/A TYR 58.A OH HIS 81.A ND1 no hydrogen 3.415 N/A TYR 58.A OH GLU 120.A OE2 no hydrogen 2.896 N/A CYS 59.A SG THR 60.A O no hydrogen 3.886 N/A CYS 59.A SG ALA 123.A O no hydrogen 3.460 N/A THR 60.A N GLU 63.A OE1 no hydrogen 2.950 N/A GLU 63.A N THR 60.A O no hydrogen 2.976 N/A GLU 63.A N THR 60.A OG1 no hydrogen 3.264 N/A VAL 64.A N PRO 61.A O no hydrogen 3.025 N/A ARG 65.A N GLY 126.A O no hydrogen 2.754 N/A VAL 66.A N GLY 126.A O no hydrogen 3.116 N/A VAL 67.A N VAL 168.A O no hydrogen 2.594 N/A ILE 68.A N LEU 128.A O no hydrogen 2.713 N/A GLY 70.A N LEU 130.A O no hydrogen 2.732 N/A TYR 74.A OH PHE 85.A O no hydrogen 2.504 N/A GLN 79.A N HIS 76.A O no hydrogen 3.255 N/A HIS 81.A NE2 SER 86.A OG no hydrogen 2.547 N/A ALA 84.A N LEU 129.A O no hydrogen 2.907 N/A SER 86.A N ALA 84.A O no hydrogen 2.737 N/A SER 86.A OG HIS 81.A NE2 no hydrogen 2.547 N/A VAL 87.A N GLY 117.A O no hydrogen 3.227 N/A ARG 88.A N GLN 79.A O no hydrogen 3.084 N/A ARG 88.A NH1 ASP 51.A OD2 no hydrogen 3.069 N/A ARG 88.A NH2 ASP 51.A OD2 no hydrogen 3.231 N/A VAL 91.A N ARG 88.A O no hydrogen 3.136 N/A ARG 98.A N PRO 94.A O no hydrogen 2.961 N/A ASN 99.A N PRO 95.A O no hydrogen 2.975 N/A ASN 99.A ND2 PRO 195.A O no hydrogen 2.997 N/A VAL 100.A N SER 96.A O no hydrogen 2.916 N/A LEU 101.A N LEU 97.A O no hydrogen 2.901 N/A ALA 102.A N ARG 98.A O no hydrogen 2.929 N/A ALA 103.A N ASN 99.A O no hydrogen 3.063 N/A VAL 104.A N VAL 100.A O no hydrogen 3.035 N/A LYS 105.A N LEU 101.A O no hydrogen 2.969 N/A LYS 105.A NZ PRO 109.A O no hydrogen 2.967 N/A LYS 105.A NZ ALA 111.A O no hydrogen 3.236 N/A ASN 106.A N ALA 102.A O no hydrogen 2.821 N/A ASN 106.A ND2 GLY 204.A O no hydrogen 2.740 N/A CYS 107.A N ALA 103.A O no hydrogen 2.735 N/A CYS 107.A SG CYS 206.A O no hydrogen 3.318 N/A TYR 108.A N VAL 104.A O no hydrogen 2.619 N/A ALA 111.A N TYR 108.A O no hydrogen 2.735 N/A ARG 112.A N SER 227.A OG no hydrogen 2.647 N/A HIS 116.A N SER 114.A OG no hydrogen 3.149 N/A LEU 119.A N SER 86.A OG no hydrogen 2.783 N/A LYS 121.A NZ ASP 225.A O no hydrogen 2.970 N/A LYS 121.A NZ ASP 225.A OD2 no hydrogen 3.279 N/A LYS 121.A NZ SER 227.A O no hydrogen 2.384 N/A TRP 122.A NE1 TRP 226.A O no hydrogen 3.000 N/A TRP 122.A NE1 SER 227.A O no hydrogen 3.182 N/A ALA 123.A N LEU 119.A O no hydrogen 3.111 N/A ARG 124.A N GLU 120.A O no hydrogen 2.792 N/A ASP 125.A N LYS 121.A O no hydrogen 3.235 N/A ASP 125.A N TRP 122.A O no hydrogen 2.876 N/A GLY 126.A N ALA 123.A O no hydrogen 3.143 N/A VAL 127.A N TRP 122.A O no hydrogen 2.967 N/A LEU 128.A N VAL 66.A O no hydrogen 2.611 N/A LEU 130.A N ILE 68.A O no hydrogen 2.966 N/A THR 132.A N GLY 70.A O no hydrogen 2.847 N/A THR 132.A OG1 GLY 70.A O no hydrogen 3.421 N/A THR 132.A OG1 HIS 175.A NE2 no hydrogen 2.921 N/A THR 133.A N GLN 71.A O no hydrogen 2.812 N/A THR 135.A OG1 HIS 144.A ND1 no hydrogen 2.582 N/A VAL 136.A N LEU 46.A O no hydrogen 2.787 N/A LYS 137.A N SER 143.A OG no hydrogen 2.942 N/A ARG 138.A N GLU 44.A O no hydrogen 2.823 N/A ARG 138.A NH1 GLU 44.A OE2 no hydrogen 2.387 N/A GLY 139.A N HIS 75.A O no hydrogen 2.873 N/A ALA 140.A N LYS 137.A O no hydrogen 2.982 N/A SER 143.A N ALA 140.A O no hydrogen 3.272 N/A SER 143.A OG ALA 140.A O no hydrogen 2.467 N/A HIS 144.A ND1 THR 135.A OG1 no hydrogen 2.582 N/A HIS 144.A NE2 GLU 43.A OE2 no hydrogen 2.918 N/A SER 145.A N ALA 142.A O no hydrogen 2.979 N/A SER 145.A OG ALA 142.A O no hydrogen 2.534 N/A ILE 147.A N HIS 144.A O no hydrogen 3.281 N/A TRP 149.A NE1 THR 135.A OG1 no hydrogen 2.996 N/A ARG 151.A N ASP 150.A OD1 no hydrogen 2.599 N/A ARG 151.A NH1 GLU 23.A OE1 no hydrogen 2.866 N/A ARG 151.A NH2 GLU 23.A OE1 no hydrogen 3.439 N/A ARG 151.A NH2 THR 29.A OG1 no hydrogen 2.590 N/A VAL 153.A N TRP 149.A O no hydrogen 2.673 N/A GLY 154.A N ASP 150.A O no hydrogen 2.654 N/A GLY 155.A N ARG 151.A O no hydrogen 2.889 N/A VAL 156.A N PHE 152.A O no hydrogen 3.177 N/A ILE 157.A N VAL 153.A O no hydrogen 3.005 N/A ARG 158.A N GLY 154.A O no hydrogen 2.989 N/A ARG 159.A N GLY 155.A O no hydrogen 2.914 N/A ARG 159.A NE LEU 19.A O no hydrogen 2.710 N/A ARG 159.A NH2 LEU 19.A O no hydrogen 2.995 N/A ARG 159.A NH2 GLU 23.A OE2 no hydrogen 2.396 N/A LEU 160.A N VAL 156.A O no hydrogen 2.940 N/A ALA 161.A N ILE 157.A O no hydrogen 2.847 N/A ALA 162.A N ARG 158.A O no hydrogen 3.014 N/A ARG 163.A N ARG 159.A O no hydrogen 3.215 N/A ARG 163.A N LEU 160.A O no hydrogen 3.229 N/A ARG 163.A NH2 ASP 62.A OD1 no hydrogen 2.754 N/A ARG 164.A NH2 ASP 62.A O no hydrogen 2.653 N/A GLY 166.A N HIS 187.A ND1 no hydrogen 3.256 N/A LEU 167.A N HIS 187.A ND1 no hydrogen 3.209 N/A VAL 168.A N ARG 65.A O no hydrogen 3.109 N/A PHE 169.A N CYS 188.A O no hydrogen 2.674 N/A MET 170.A N VAL 67.A O no hydrogen 2.788 N/A LEU 171.A N LEU 190.A O no hydrogen 2.710 N/A TRP 172.A NE1 HIS 208.A ND1 no hydrogen 2.962 N/A GLY 173.A N PHE 192.A O no hydrogen 2.772 N/A HIS 175.A NE2 THR 132.A OG1 no hydrogen 2.921 N/A GLN 177.A N GLY 173.A O no hydrogen 3.204 N/A GLN 177.A NE2 LEU 171.A O no hydrogen 2.703 N/A ASN 178.A N THR 174.A O no hydrogen 2.978 N/A ALA 179.A N HIS 175.A O no hydrogen 2.920 N/A ILE 180.A N ALA 176.A O no hydrogen 3.159 N/A ARG 181.A NE ASN 178.A O no hydrogen 3.334 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 3.017 N/A ARG 185.A NE ASP 183.A OD1 no hydrogen 3.135 N/A ARG 185.A NH2 ASP 183.A OD2 no hydrogen 2.903 N/A VAL 186.A N ASP 183.A O no hydrogen 2.645 N/A HIS 187.A N ASP 183.A O no hydrogen 2.896 N/A CYS 188.A N LEU 167.A O no hydrogen 2.837 N/A LEU 190.A N PHE 169.A O no hydrogen 2.611 N/A PHE 192.A N LEU 171.A O no hydrogen 3.031 N/A SER 196.A N HIS 194.A ND1 no hydrogen 2.765 N/A LEU 198.A N SER 196.A OG no hydrogen 3.068 N/A SER 199.A N SER 196.A O no hydrogen 3.045 N/A SER 199.A OG HIS 194.A O no hydrogen 2.854 N/A SER 199.A OG SER 196.A O no hydrogen 3.465 N/A THR 205.A N PRO 202.A O no hydrogen 3.509 N/A THR 205.A OG1 PRO 202.A O no hydrogen 2.908 N/A CYS 206.A N PHE 203.A O no hydrogen 2.722 N/A VAL 211.A N GLN 207.A O no hydrogen 3.005 N/A ALA 212.A N HIS 208.A O no hydrogen 2.870 N/A ASN 213.A N PHE 209.A O no hydrogen 3.412 N/A ASN 213.A ND2 TYR 108.A OH no hydrogen 3.072 N/A ASN 213.A ND2 ILE 224.A O no hydrogen 2.760 N/A ARG 214.A N LEU 210.A O no hydrogen 3.036 N/A TYR 215.A N VAL 211.A O no hydrogen 2.914 N/A LEU 216.A N ALA 212.A O no hydrogen 2.882 N/A GLU 217.A N ASN 213.A O no hydrogen 3.067 N/A THR 218.A N ARG 214.A O no hydrogen 3.397 N/A THR 218.A OG1 TYR 215.A O no hydrogen 2.634 N/A ARG 219.A N LEU 216.A O no hydrogen 2.829 N/A SER 220.A N GLU 217.A O no hydrogen 3.228 N/A ILE 221.A N LEU 216.A O no hydrogen 2.860 N/A ILE 224.A N ASN 213.A OD1 no hydrogen 2.730 N/A TRP 226.A NE1 PHE 209.A O no hydrogen 3.090 N/A SER 227.A N ASP 225.A OD1 no hydrogen 3.184 N/A SER 227.A OG ASP 225.A OD1 no hydrogen 3.330 N/A LEU 229.A N ARG 112.A O no hydrogen 2.880 N/A