Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ere_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 59.A OD2 no hydrogen 2.415 N/A SER 5.A N LEU 2.A O no hydrogen 2.517 N/A SER 5.A OG SER 1.A O no hydrogen 3.169 N/A LEU 6.A N LEU 2.A O no hydrogen 3.078 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.834 N/A GLN 10.A N THR 7.A OG1 no hydrogen 3.393 N/A MET 11.A N THR 7.A O no hydrogen 2.922 N/A VAL 12.A N ALA 8.A O no hydrogen 3.066 N/A SER 13.A N ASP 9.A O no hydrogen 3.226 N/A SER 13.A OG ASP 9.A O no hydrogen 2.419 N/A SER 13.A OG GLN 10.A O no hydrogen 2.941 N/A ALA 14.A N GLN 10.A O no hydrogen 2.659 N/A LEU 15.A N MET 11.A O no hydrogen 2.860 N/A LEU 16.A N VAL 12.A O no hydrogen 2.699 N/A ASP 17.A N SER 13.A O no hydrogen 2.645 N/A ALA 18.A N ALA 14.A O no hydrogen 3.044 N/A SER 25.A N ASN 97.A OD1 no hydrogen 2.860 N/A SER 25.A OG GLU 26.A O no hydrogen 3.097 N/A SER 28.A N SER 31.A OG no hydrogen 3.186 N/A SER 31.A N SER 28.A OG no hydrogen 2.968 N/A MET 32.A N SER 28.A O no hydrogen 2.640 N/A MET 33.A N GLU 29.A O no hydrogen 2.844 N/A GLY 34.A N ALA 30.A O no hydrogen 2.981 N/A LEU 35.A N SER 31.A O no hydrogen 3.239 N/A LEU 36.A N MET 32.A O no hydrogen 3.101 N/A THR 37.A N MET 33.A O no hydrogen 2.759 N/A ASN 38.A N GLY 34.A O no hydrogen 2.779 N/A ASN 38.A ND2 TYR 224.A OH no hydrogen 2.837 N/A LEU 39.A N LEU 35.A O no hydrogen 2.777 N/A ALA 40.A N LEU 36.A O no hydrogen 2.887 N/A ASP 41.A N THR 37.A O no hydrogen 2.916 N/A ARG 42.A N ASN 38.A O no hydrogen 3.022 N/A ARG 42.A NE ASN 38.A OD1 no hydrogen 3.494 N/A ARG 42.A NH1 TYR 24.A O no hydrogen 3.517 N/A ARG 42.A NH2 TYR 24.A O no hydrogen 2.679 N/A GLU 43.A N LEU 39.A O no hydrogen 2.958 N/A LEU 44.A N ALA 40.A O no hydrogen 3.017 N/A VAL 45.A N ARG 42.A O no hydrogen 3.109 N/A MET 47.A N GLU 43.A O no hydrogen 2.702 N/A ILE 48.A N LEU 44.A O no hydrogen 3.146 N/A ASN 49.A N VAL 45.A O no hydrogen 3.402 N/A ASN 49.A ND2 VAL 45.A O no hydrogen 3.333 N/A TRP 50.A N HIS 46.A O no hydrogen 2.953 N/A ALA 51.A N MET 47.A O no hydrogen 2.797 N/A LYS 52.A N ILE 48.A O no hydrogen 3.296 N/A LYS 52.A NZ GLN 65.A OE1 no hydrogen 3.117 N/A ARG 53.A N TRP 50.A O no hydrogen 2.941 N/A VAL 54.A N ALA 51.A O no hydrogen 3.010 N/A PHE 57.A N VAL 54.A O no hydrogen 2.914 N/A ASP 59.A N GLY 56.A O no hydrogen 3.252 N/A LEU 60.A N PHE 57.A O no hydrogen 2.962 N/A THR 61.A N GLU 158.A OE1 no hydrogen 3.303 N/A THR 61.A N GLU 158.A OE2 no hydrogen 3.051 N/A THR 61.A OG1 GLU 158.A OE1 no hydrogen 3.293 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.332 N/A GLN 65.A N THR 61.A O no hydrogen 3.070 N/A GLN 65.A NE2 LEU 60.A O no hydrogen 2.764 N/A VAL 66.A N LEU 62.A O no hydrogen 3.217 N/A HIS 67.A N HIS 63.A O no hydrogen 2.826 N/A HIS 67.A NE2.A GLY 147.A O no hydrogen 3.029 N/A LEU 68.A N ASP 64.A O no hydrogen 2.896 N/A LEU 69.A N GLN 65.A O no hydrogen 2.962 N/A GLU 70.A N VAL 66.A O no hydrogen 2.685 N/A CYS 71.A N HIS 67.A O no hydrogen 2.747 N/A ALA 72.A N LEU 68.A O no hydrogen 2.845 N/A TRP 73.A N LEU 69.A O no hydrogen 2.985 N/A ILE 76.A N ALA 72.A O no hydrogen 2.892 N/A LEU 77.A N TRP 73.A O no hydrogen 2.884 N/A MET 78.A N LEU 74.A O no hydrogen 2.831 N/A ILE 79.A N GLU 75.A O no hydrogen 2.794 N/A GLY 80.A N ILE 76.A O no hydrogen 3.163 N/A LEU 81.A N LEU 77.A O no hydrogen 3.116 N/A VAL 82.A N MET 78.A O no hydrogen 3.007 N/A TRP 83.A N ILE 79.A O no hydrogen 2.924 N/A ARG 84.A N GLY 80.A O no hydrogen 2.883 N/A ARG 84.A NE LEU 93.A O no hydrogen 3.140 N/A ARG 84.A NE PHE 94.A O no hydrogen 3.084 N/A ARG 84.A NH2 PHE 94.A O no hydrogen 2.904 N/A SER 85.A N VAL 82.A O no hydrogen 3.072 N/A SER 85.A OG LEU 81.A O no hydrogen 3.047 N/A MET 86.A N TRP 83.A O no hydrogen 3.374 N/A HIS 88.A N SER 85.A O no hydrogen 3.219 N/A LYS 91.A N HIS 88.A O no hydrogen 2.849 N/A LEU 92.A N LEU 100.A O no hydrogen 2.883 N/A LEU 93.A N SER 85.A OG no hydrogen 2.777 N/A ALA 95.A N LEU 98.A O no hydrogen 3.094 N/A ASN 97.A ND2 SER 25.A O no hydrogen 3.168 N/A LEU 98.A N ALA 95.A O no hydrogen 2.954 N/A ASP 101.A N GLN 104.A OE1 no hydrogen 3.160 N/A ARG 102.A N GLY 90.A O no hydrogen 3.464 N/A ARG 102.A NE ASP 116.A OD1 no hydrogen 2.628 N/A ARG 102.A NE ASP 116.A OD2 no hydrogen 3.047 N/A ARG 102.A NH1 ASN 103.A OD1 no hydrogen 3.514 N/A ARG 102.A NH2 ASP 116.A OD2 no hydrogen 2.947 N/A ASN 103.A ND2 ASP 101.A OD1 no hydrogen 3.295 N/A GLN 104.A N ASP 101.A O no hydrogen 2.749 N/A GLY 105.A N ARG 102.A O no hydrogen 2.724 N/A LYS 106.A N ASN 103.A O no hydrogen 2.891 N/A LYS 106.A NZ ASN 103.A OD1 no hydrogen 3.071 N/A CYS 107.A N GLN 104.A O no hydrogen 3.156 N/A CYS 107.A SG GLN 104.A O no hydrogen 3.347 N/A VAL 108.A N GLY 105.A O no hydrogen 3.011 N/A GLU 109.A N GLU 29.A OE1 no hydrogen 2.802 N/A MET 111.A N VAL 108.A O no hydrogen 3.388 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.693 N/A PHE 115.A N MET 111.A O no hydrogen 2.859 N/A ASP 116.A N VAL 112.A O no hydrogen 2.738 N/A MET 117.A N GLU 113.A O no hydrogen 2.889 N/A LEU 118.A N ILE 114.A O no hydrogen 2.789 N/A LEU 119.A N PHE 115.A O no hydrogen 2.689 N/A ALA 120.A N ASP 116.A O no hydrogen 2.831 N/A THR 121.A N MET 117.A O no hydrogen 3.006 N/A THR 121.A OG1 MET 117.A O no hydrogen 2.802 N/A THR 121.A OG1 HIS 200.A ND1.B no hydrogen 3.252 N/A SER 122.A N LEU 118.A O no hydrogen 2.872 N/A SER 122.A OG VAL 82.A O no hydrogen 3.492 N/A SER 123.A N LEU 119.A O no hydrogen 2.758 N/A ARG 124.A N ALA 120.A O no hydrogen 2.916 N/A ARG 124.A NE GLN 193.A OE1.B no hydrogen 3.399 N/A ARG 124.A NH2 GLN 193.A OE1.B no hydrogen 3.055 N/A PHE 125.A N THR 121.A O no hydrogen 2.818 N/A ARG 126.A N SER 122.A O no hydrogen 3.028 N/A ARG 126.A NE MET 86.A O no hydrogen 2.619 N/A ARG 126.A NH2 MET 86.A O no hydrogen 3.503 N/A MET 127.A N SER 123.A O no hydrogen 2.831 N/A MET 128.A N ARG 124.A O no hydrogen 3.016 N/A ASN 129.A N ARG 126.A O no hydrogen 2.891 N/A LEU 130.A N PHE 125.A O no hydrogen 3.167 N/A GLN 131.A N GLU 134.A OE1 no hydrogen 2.762 N/A GLN 131.A NE2 ASN 129.A O no hydrogen 2.800 N/A PHE 135.A N GLN 131.A O no hydrogen 2.789 N/A VAL 136.A N GLY 132.A O no hydrogen 3.025 N/A CYS 137.A N GLU 133.A O no hydrogen 3.309 N/A CYS 137.A SG GLU 133.A O no hydrogen 3.550 N/A LEU 138.A N GLU 134.A O no hydrogen 3.029 N/A LYS 139.A N PHE 135.A O no hydrogen 3.022 N/A LYS 139.A NZ GLU 19.A OE2 no hydrogen 2.456 N/A SER 140.A N VAL 136.A O no hydrogen 3.316 N/A SER 140.A OG VAL 136.A O no hydrogen 3.113 N/A ILE 141.A N CYS 137.A O no hydrogen 2.879 N/A ILE 142.A N LEU 138.A O no hydrogen 2.810 N/A LEU 143.A N LYS 139.A O no hydrogen 3.025 N/A LEU 144.A N SER 140.A O no hydrogen 3.002 N/A ASN 145.A N ILE 141.A O no hydrogen 2.701 N/A SER 146.A N ILE 142.A O no hydrogen 3.255 N/A SER 146.A OG GLU 75.A OE1 no hydrogen 2.645 N/A SER 146.A OG GLU 75.A OE2 no hydrogen 3.213 N/A SER 146.A OG ILE 142.A O no hydrogen 3.513 N/A VAL 148.A N ASN 145.A O no hydrogen 3.405 N/A THR 150.A N GLY 147.A O no hydrogen 3.321 N/A THR 150.A OG1 GLY 147.A O no hydrogen 3.481 N/A LEU 156.A N THR 152.A O no hydrogen 2.635 N/A GLU 157.A N LEU 153.A O no hydrogen 3.159 N/A GLU 158.A N LYS 154.A O no hydrogen 2.721 N/A LYS 159.A N SER 155.A O no hydrogen 2.589 N/A LYS 159.A NZ VAL 148.A O no hydrogen 3.178 N/A ASP 160.A N LEU 156.A O no hydrogen 3.040 N/A HIS 161.A N GLU 157.A O no hydrogen 3.067 N/A HIS 161.A NE2 GLY 56.A O no hydrogen 3.123 N/A ILE 162.A N GLU 158.A O no hydrogen 3.076 N/A HIS 163.A N LYS 159.A O no hydrogen 2.872 N/A ARG 164.A N ASP 160.A O no hydrogen 2.724 N/A VAL 165.A N HIS 161.A O no hydrogen 2.930 N/A LEU 166.A N ILE 162.A O no hydrogen 2.922 N/A ASP 167.A N HIS 163.A O no hydrogen 2.923 N/A LYS 168.A N ARG 164.A O no hydrogen 3.123 N/A ILE 169.A N VAL 165.A O no hydrogen 2.804 N/A THR 170.A N LEU 166.A O no hydrogen 2.899 N/A THR 170.A OG1 LEU 166.A O no hydrogen 3.011 N/A ASP 171.A N ASP 167.A O no hydrogen 2.794 N/A THR 172.A N LYS 168.A O no hydrogen 2.836 N/A THR 172.A OG1 LYS 168.A O no hydrogen 2.960 N/A LEU 173.A N ILE 169.A O no hydrogen 2.971 N/A ILE 174.A N THR 170.A O no hydrogen 2.984 N/A HIS 175.A N ASP 171.A O no hydrogen 2.812 N/A LEU 176.A N THR 172.A O no hydrogen 2.946 N/A MET 177.A N LEU 173.A O no hydrogen 3.100 N/A ALA 178.A N ILE 174.A O no hydrogen 2.817 N/A LYS 179.A N HIS 175.A O no hydrogen 3.034 N/A ALA 180.A N LEU 176.A O no hydrogen 3.150 N/A ALA 180.A N MET 177.A O no hydrogen 3.056 N/A GLY 181.A N ALA 178.A O no hydrogen 2.383 N/A LEU 182.A N MET 177.A O no hydrogen 3.198 N/A THR 183.A N GLN 186.A OE1 no hydrogen 2.808 N/A GLN 187.A N THR 183.A O no hydrogen 2.796 N/A GLN 187.A NE2 LEU 182.A O no hydrogen 2.734 N/A HIS 188.A N LEU 184.A O no hydrogen 3.263 N/A GLN 189.A N GLN 185.A O no hydrogen 3.037 N/A ARG 190.A N GLN 186.A O no hydrogen 2.871 N/A ARG 190.A NE GLU 134.A OE2 no hydrogen 2.598 N/A ARG 190.A NH1 MET 128.A O no hydrogen 2.710 N/A ARG 190.A NH2 MET 128.A O no hydrogen 3.080 N/A ARG 190.A NH2 ASN 129.A O no hydrogen 3.177 N/A ARG 190.A NH2 GLU 134.A OE1 no hydrogen 2.562 N/A ARG 190.A NH2 GLU 134.A OE2 no hydrogen 3.202 N/A LEU 191.A N GLN 187.A O no hydrogen 2.970 N/A ALA 192.A N HIS 188.A O no hydrogen 3.198 N/A GLN 193.A N GLN 189.A O no hydrogen 2.688 N/A LEU 194.A N ARG 190.A O no hydrogen 2.706 N/A LEU 195.A N LEU 191.A O no hydrogen 2.957 N/A LEU 196.A N ALA 192.A O no hydrogen 2.889 N/A ILE 197.A N LEU 194.A O no hydrogen 3.045 N/A LEU 198.A N LEU 195.A O no hydrogen 3.077 N/A SER 199.A N LEU 196.A O no hydrogen 3.226 N/A ILE 201.A N ILE 197.A O no hydrogen 2.972 N/A ARG 202.A N LEU 198.A O no hydrogen 2.830 N/A HIS 203.A N SER 199.A O no hydrogen 2.837 N/A MET 204.A N HIS 200.A O no hydrogen 2.781 N/A SER 205.A N ILE 201.A O no hydrogen 2.952 N/A ASN 206.A N ARG 202.A O no hydrogen 2.946 N/A LYS 207.A N HIS 203.A O no hydrogen 3.164 N/A GLY 208.A N MET 204.A O no hydrogen 2.668 N/A MET 209.A N SER 205.A O no hydrogen 2.901 N/A GLU 210.A N ASN 206.A O no hydrogen 3.152 N/A HIS 211.A N LYS 207.A O no hydrogen 2.985 N/A HIS 211.A NE2 GLU 109.A O no hydrogen 2.890 N/A LEU 212.A N GLY 208.A O no hydrogen 2.894 N/A TYR 213.A N MET 209.A O no hydrogen 2.861 N/A SER 214.A N GLU 210.A O no hydrogen 3.163 N/A SER 214.A OG GLU 210.A O no hydrogen 3.393 N/A SER 214.A OG HIS 211.A O no hydrogen 2.883 N/A MET 215.A N HIS 211.A O no hydrogen 2.863 N/A LYS 216.A N LEU 212.A O no hydrogen 2.890 N/A CYS 217.A N TYR 213.A O no hydrogen 2.945 N/A CYS 217.A SG.A TYR 213.A O no hydrogen 3.279 N/A LYS 218.A N SER 214.A O no hydrogen 2.878 N/A ASN 219.A N LYS 216.A O no hydrogen 3.050 N/A VAL 220.A N MET 215.A O no hydrogen 3.180 N/A LEU 227.A N ASP 41.A OD1 no hydrogen 3.284 N/A LEU 228.A N TYR 224.A O no hydrogen 3.085 N/A GLU 229.A N ASP 225.A O no hydrogen 3.053 N/A MET 230.A N LEU 226.A O no hydrogen 2.999 N/A LEU 231.A N LEU 227.A O no hydrogen 2.960 N/A ASP 232.A N LEU 228.A O no hydrogen 2.815 N/A ALA 233.A N GLU 229.A O no hydrogen 3.163 N/A HIS 234.A NE2 GLU 70.A O no hydrogen 2.763 N/A ARG 235.A N LEU 231.A O no hydrogen 3.438 N/A ARG 235.A NH2 GLU 210.A OE2 no hydrogen 2.813 N/A