Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c8e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 13.A N ASP 11.A OD1 no hydrogen 2.827 N/A SER 13.A OG ASP 11.A OD1 no hydrogen 2.612 N/A SER 13.A OG ASP 11.A OD2 no hydrogen 3.432 N/A ALA 14.A N ASP 11.A O no hydrogen 3.182 N/A ALA 19.A N GLY 16.A O no hydrogen 3.176 N/A ASN 20.A ND2.A GLY 79.A O no hydrogen 2.792 N/A ILE 21.A N PHE 18.A O no hydrogen 2.932 N/A ASN 22.A N PHE 18.A O no hydrogen 2.894 N/A ARG 23.A NH2 GLY 27.A O no hydrogen 2.834 N/A THR 29.A N PHE 84.A O no hydrogen 2.773 N/A THR 29.A OG1 HIS 30.A ND1 no hydrogen 2.771 N/A THR 29.A OG1 PHE 84.A O no hydrogen 3.506 N/A HIS 30.A ND1 THR 29.A OG1 no hydrogen 2.771 N/A LYS 32.A N SER 86.A OG no hydrogen 2.947 N/A GLY 37.A N GLN 42.A OE1 no hydrogen 2.873 N/A HIS 39.A N ASP 72.A OD2 no hydrogen 3.081 N/A HIS 39.A NE2 HIS 269.A O no hydrogen 2.788 N/A HIS 39.A NE2 ASP 270.A OD1 no hydrogen 3.089 N/A LEU 41.A N GLU 70.A O no hydrogen 3.472 N/A GLN 42.A N ARG 101.A O no hydrogen 2.902 N/A GLN 42.A NE2 HIS 39.A O no hydrogen 2.862 N/A GLN 42.A NE2 ASP 72.A OD2 no hydrogen 2.784 N/A LEU 43.A N ASP 72.A O no hydrogen 2.784 N/A TYR 44.A N ALA 99.A O no hydrogen 2.772 N/A TYR 44.A OH PRO 35.A O no hydrogen 2.702 N/A SER 45.A N TRP 74.A O no hydrogen 3.013 N/A SER 45.A OG LEU 46.A O no hydrogen 3.452 N/A GLY 47.A N ASN 255.A O no hydrogen 2.780 N/A THR 48.A N LEU 46.A O no hydrogen 2.791 N/A ASN 50.A N THR 48.A OG1 no hydrogen 3.200 N/A GLN 52.A N THR 48.A O no hydrogen 2.981 N/A GLN 52.A NE2 GLY 47.A O no hydrogen 2.883 N/A LYS 53.A N PRO 49.A O no hydrogen 3.285 N/A LYS 53.A NZ ASN 50.A OD1 no hydrogen 2.905 N/A LYS 53.A NZ SER 114.A OG no hydrogen 2.816 N/A LYS 53.A NZ GLN 147.A OE1 no hydrogen 2.805 N/A VAL 54.A N GLY 51.A O no hydrogen 3.030 N/A THR 55.A N GLY 51.A O no hydrogen 3.085 N/A THR 55.A OG1 GLY 51.A O no hydrogen 3.453 N/A THR 55.A OG1 GLN 52.A O no hydrogen 3.546 N/A THR 55.A OG1 GLY 251.A O no hydrogen 2.590 N/A ILE 56.A N GLN 52.A O no hydrogen 2.862 N/A MET 57.A N LYS 53.A O no hydrogen 3.114 N/A LEU 58.A N VAL 54.A O no hydrogen 2.987 N/A GLU 59.A N THR 55.A O no hydrogen 2.954 N/A GLU 60.A N ILE 56.A O no hydrogen 2.840 N/A LEU 61.A N MET 57.A O no hydrogen 2.860 N/A LEU 62.A N LEU 58.A O no hydrogen 2.934 N/A ALA 63.A N GLU 59.A O no hydrogen 2.941 N/A LEU 64.A N GLU 60.A O no hydrogen 3.280 N/A LEU 64.A N LEU 61.A O no hydrogen 2.969 N/A GLY 65.A N LEU 62.A O no hydrogen 2.908 N/A VAL 66.A N LEU 61.A O no hydrogen 3.099 N/A ALA 69.A N VAL 66.A O no hydrogen 3.007 N/A GLU 70.A N THR 67.A O no hydrogen 3.198 N/A TYR 71.A OH GLU 59.A OE2 no hydrogen 2.597 N/A ASP 72.A N LEU 41.A O no hydrogen 2.962 N/A ALA 73.A N ARG 268.A O no hydrogen 2.831 N/A TRP 74.A N LEU 43.A O no hydrogen 2.806 N/A TRP 74.A NE1 GLN 42.A OE1 no hydrogen 2.851 N/A LEU 75.A N GLU 267.A OE2 no hydrogen 2.959 N/A ILE 76.A N SER 45.A O no hydrogen 2.943 N/A ARG 77.A N ASP 82.A OD2 no hydrogen 2.914 N/A ASP 80.A N ARG 77.A O no hydrogen 3.045 N/A GLY 81.A N ILE 78.A O no hydrogen 3.233 N/A ASP 82.A N ARG 77.A O no hydrogen 3.275 N/A GLN 83.A N GLN 83.A OE1 no hydrogen 2.575 N/A GLN 83.A NE2 ILE 78.A O no hydrogen 3.111 N/A PHE 84.A N GLY 81.A O no hydrogen 2.901 N/A SER 85.A N ASP 82.A O no hydrogen 3.423 N/A SER 85.A OG ASP 82.A O no hydrogen 3.478 N/A SER 86.A N HIS 30.A O no hydrogen 2.741 N/A SER 86.A OG LYS 32.A O no hydrogen 3.244 N/A GLY 87.A N LYS 32.A O no hydrogen 2.881 N/A PHE 88.A N SER 85.A OG no hydrogen 2.907 N/A VAL 89.A N SER 85.A O no hydrogen 2.877 N/A GLU 90.A N SER 86.A O no hydrogen 3.084 N/A VAL 91.A N PHE 88.A O no hydrogen 2.942 N/A ASN 92.A N PHE 88.A O no hydrogen 2.894 N/A ASN 92.A ND2 LYS 96.A O no hydrogen 2.829 N/A ASN 94.A N ASN 92.A OD1 no hydrogen 2.852 N/A SER 95.A N ASN 92.A O no hydrogen 2.926 N/A SER 95.A OG GLN 83.A O no hydrogen 2.844 N/A ALA 99.A N TYR 44.A O no hydrogen 3.094 N/A LEU 100.A N VAL 111.A O no hydrogen 2.868 N/A ARG 101.A N GLN 42.A O no hydrogen 2.799 N/A ASP 102.A N ILE 109.A O no hydrogen 2.877 N/A HIS 103.A N PRO 40.A O no hydrogen 2.877 N/A THR 104.A N ASP 102.A OD1 no hydrogen 2.935 N/A THR 104.A OG1 ASP 102.A OD1 no hydrogen 2.603 N/A THR 104.A OG1 ASP 102.A OD2 no hydrogen 3.448 N/A ILE 109.A N ASP 102.A O no hydrogen 3.108 N/A ARG 110.A NH1 GLU 90.A O no hydrogen 2.926 N/A VAL 111.A N LEU 100.A O no hydrogen 2.784 N/A ILE 117.A N GLU 113.A O no hydrogen 2.951 N/A LEU 118.A N SER 114.A O no hydrogen 2.969 N/A LEU 119.A N GLY 115.A O no hydrogen 3.046 N/A TYR 120.A N SER 116.A O no hydrogen 2.829 N/A TYR 120.A OH ASP 102.A OD2 no hydrogen 2.611 N/A LEU 121.A N ILE 117.A O no hydrogen 2.885 N/A ALA 122.A N LEU 118.A O no hydrogen 2.952 N/A GLU 123.A N LEU 119.A O no hydrogen 2.889 N/A LYS 124.A N TYR 120.A O no hydrogen 2.928 N/A LYS 124.A NZ ASP 102.A OD1 no hydrogen 3.481 N/A LYS 124.A NZ ASP 102.A OD2 no hydrogen 2.679 N/A PHE 125.A N LEU 121.A O no hydrogen 3.074 N/A GLY 126.A N ALA 122.A O no hydrogen 2.808 N/A LYS 135.A N ASP 132.A OD2 no hydrogen 2.945 N/A ARG 136.A N ASP 132.A O no hydrogen 2.786 N/A ARG 136.A NH1 PRO 130.A O no hydrogen 2.761 N/A THR 137.A N LEU 133.A O no hydrogen 2.810 N/A THR 137.A OG1 LEU 133.A O no hydrogen 2.762 N/A GLU 138.A N ALA 134.A O no hydrogen 2.976 N/A THR 139.A N LYS 135.A O no hydrogen 2.960 N/A THR 139.A OG1 LYS 135.A O no hydrogen 2.871 N/A MET 140.A N ARG 136.A O no hydrogen 2.928 N/A ASN 141.A N THR 137.A O no hydrogen 2.798 N/A ASN 141.A ND2 GLU 138.A OE1 no hydrogen 3.128 N/A TRP 142.A N GLU 138.A O no hydrogen 3.093 N/A TRP 142.A NE1 GLU 138.A OE2 no hydrogen 2.844 N/A LEU 143.A N THR 139.A O no hydrogen 2.943 N/A PHE 144.A N MET 140.A O no hydrogen 2.869 N/A TRP 145.A N ASN 141.A O no hydrogen 2.897 N/A LEU 146.A N TRP 142.A O no hydrogen 2.977 N/A GLN 147.A N LEU 143.A O no hydrogen 3.084 N/A GLY 148.A N PHE 144.A O no hydrogen 2.941 N/A GLY 148.A N TRP 145.A O no hydrogen 3.215 N/A ALA 149.A N LEU 146.A O no hydrogen 2.989 N/A ALA 150.A N LEU 146.A O no hydrogen 2.820 N/A PHE 152.A N ALA 149.A O no hydrogen 2.900 N/A LEU 153.A N ALA 149.A O no hydrogen 3.172 N/A GLY 154.A N ALA 150.A O no hydrogen 2.751 N/A GLY 155.A N PRO 151.A O no hydrogen 2.769 N/A PHE 157.A N PHE 152.A O no hydrogen 2.804 N/A GLY 158.A N LEU 153.A O no hydrogen 2.793 N/A HIS 159.A N GLY 154.A O no hydrogen 3.022 N/A PHE 160.A N GLY 156.A O no hydrogen 2.996 N/A TYR 161.A N PHE 157.A O no hydrogen 2.802 N/A HIS 162.A N GLY 158.A O no hydrogen 2.920 N/A TYR 163.A N GLY 158.A O no hydrogen 3.330 N/A TYR 163.A N HIS 159.A O no hydrogen 3.059 N/A ALA 164.A N HIS 159.A O no hydrogen 2.795 N/A LYS 167.A NZ TYR 161.A O no hydrogen 2.915 N/A ILE 172.A N ILE 168.A O no hydrogen 2.858 N/A ASN 173.A N GLU 169.A O no hydrogen 2.812 N/A ARG 174.A N TYR 170.A O no hydrogen 2.951 N/A PHE 175.A N ALA 171.A O no hydrogen 2.975 N/A THR 176.A N ILE 172.A O no hydrogen 2.787 N/A THR 176.A OG1 ILE 172.A O no hydrogen 2.715 N/A MET 177.A N ASN 173.A O no hydrogen 2.947 N/A GLU 178.A N ARG 174.A O no hydrogen 3.126 N/A ALA 179.A N PHE 175.A O no hydrogen 2.992 N/A LYS 180.A N THR 176.A O no hydrogen 2.937 N/A LYS 180.A NZ LEU 227.A O no hydrogen 2.862 N/A LYS 180.A NZ TYR 232.A OH no hydrogen 2.916 N/A ARG 181.A N MET 177.A O no hydrogen 2.917 N/A ARG 181.A NE GLU 178.A OE1 no hydrogen 2.874 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 3.381 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 2.775 N/A LEU 182.A N GLU 178.A O no hydrogen 2.902 N/A LEU 183.A N ALA 179.A O no hydrogen 2.994 N/A ASP 184.A N LYS 180.A O no hydrogen 2.806 N/A VAL 185.A N ARG 181.A O no hydrogen 2.877 N/A LEU 186.A N LEU 182.A O no hydrogen 2.995 N/A ASP 187.A N LEU 183.A O no hydrogen 2.735 N/A LYS 188.A N ASP 184.A O no hydrogen 2.950 N/A LYS 188.A NZ ASP 184.A OD2 no hydrogen 2.678 N/A GLN 189.A N VAL 185.A O no hydrogen 3.115 N/A GLN 189.A NE2 VAL 196.A O no hydrogen 2.773 N/A LEU 190.A N LEU 186.A O no hydrogen 2.912 N/A ALA 191.A N ASP 187.A O no hydrogen 2.888 N/A GLN 192.A N GLN 189.A O no hydrogen 3.098 N/A HIS 193.A ND1 GLN 189.A O no hydrogen 3.056 N/A PHE 195.A N GLY 198.A O no hydrogen 2.963 N/A VAL 196.A N ASP 205.A OD1 no hydrogen 2.938 N/A GLY 198.A N PHE 195.A O no hydrogen 3.343 N/A TYR 201.A OH GLU 60.A OE2 no hydrogen 2.779 N/A THR 202.A N ASP 205.A OD2 no hydrogen 2.911 N/A THR 202.A OG1 ASP 205.A OD2 no hydrogen 3.468 N/A ILE 203.A N PHE 128.A O no hydrogen 2.896 N/A ALA 204.A N THR 202.A OG1 no hydrogen 3.086 N/A MET 206.A N THR 202.A O no hydrogen 3.222 N/A ALA 207.A N ILE 203.A O no hydrogen 2.934 N/A ILE 208.A N ALA 204.A O no hydrogen 3.052 N/A TRP 209.A N ASP 205.A O no hydrogen 2.882 N/A TRP 209.A NE1 ALA 239.A O no hydrogen 2.878 N/A TRP 211.A N ILE 208.A O no hydrogen 3.093 N/A TRP 211.A NE1 ASN 50.A OD1 no hydrogen 2.908 N/A PHE 212.A N ILE 208.A O no hydrogen 2.889 N/A ASN 214.A N TRP 209.A O no hydrogen 2.865 N/A VAL 215.A N TRP 211.A O no hydrogen 2.930 N/A VAL 216.A N PHE 212.A O no hydrogen 3.388 N/A VAL 216.A N GLY 213.A O no hydrogen 3.221 N/A LEU 217.A N GLY 213.A O no hydrogen 3.118 N/A GLY 218.A N VAL 215.A O no hydrogen 3.348 N/A GLY 219.A N ASN 214.A O no hydrogen 2.827 N/A LEU 227.A N ALA 223.A O no hydrogen 2.787 N/A ASP 228.A N GLU 225.A O no hydrogen 3.019 N/A ALA 229.A N ALA 224.A O no hydrogen 2.886 N/A SER 231.A N ASP 228.A O no hydrogen 2.920 N/A SER 231.A OG ASP 228.A O no hydrogen 2.875 N/A TYR 232.A N ALA 229.A O no hydrogen 3.177 N/A LYS 233.A NZ.A GLY 230.A O no hydrogen 2.781 N/A LYS 233.A NZ.B GLY 230.A O no hydrogen 2.673 N/A HIS 234.A N ASP 187.A OD1 no hydrogen 2.892 N/A VAL 235.A N ASP 187.A OD1 no hydrogen 2.972 N/A GLN 236.A N TYR 232.A O no hydrogen 2.926 N/A GLN 236.A NE2 VAL 216.A O no hydrogen 2.946 N/A GLN 236.A NE2 ALA 229.A O no hydrogen 3.084 N/A ARG 237.A N LYS 233.A O no hydrogen 2.990 N/A ARG 237.A NH1 LEU 190.A O no hydrogen 2.945 N/A ARG 237.A NH1 HIS 193.A O no hydrogen 3.063 N/A ARG 237.A NH1 LYS 194.A O no hydrogen 3.302 N/A ARG 237.A NH2 LYS 194.A O no hydrogen 2.690 N/A ARG 237.A NH2 GLU 241.A OE1 no hydrogen 3.102 N/A TRP 238.A N HIS 234.A O no hydrogen 3.017 N/A TRP 238.A NE1 ASP 205.A OD1 no hydrogen 2.821 N/A ALA 239.A N VAL 235.A O no hydrogen 2.766 N/A LYS 240.A N GLN 236.A O no hydrogen 3.030 N/A GLU 241.A N ARG 237.A O no hydrogen 2.937 N/A VAL 242.A N TRP 238.A O no hydrogen 2.882 N/A GLY 243.A N ALA 239.A O no hydrogen 2.921 N/A GLU 244.A N LYS 240.A O no hydrogen 3.078 N/A ARG 245.A N VAL 242.A O no hydrogen 3.095 N/A ARG 245.A NE GLU 60.A OE2 no hydrogen 2.917 N/A ARG 245.A NH2 GLU 60.A OE1 no hydrogen 2.900 N/A VAL 248.A N ARG 245.A O no hydrogen 2.931 N/A LYS 249.A N ARG 245.A O no hydrogen 2.923 N/A LYS 249.A NZ GLU 244.A O no hydrogen 2.707 N/A ARG 250.A N PRO 246.A O no hydrogen 3.145 N/A ARG 250.A NE.A GLU 59.A OE1 no hydrogen 3.071 N/A ARG 250.A NE.B GLU 59.A OE1 no hydrogen 2.797 N/A ARG 250.A NH2.B ALA 271.A O no hydrogen 3.054 N/A GLY 251.A N ALA 247.A O no hydrogen 2.776 N/A ARG 252.A N VAL 248.A O no hydrogen 2.836 N/A ARG 252.A NH1 GLU 263.A OE1 no hydrogen 2.971 N/A ILE 253.A N ARG 250.A O no hydrogen 3.126 N/A VAL 254.A N GLY 251.A O no hydrogen 3.310 N/A ASN 255.A N LEU 265.A O no hydrogen 2.737 N/A ASN 255.A ND2 ALA 73.A O no hydrogen 3.247 N/A ASN 255.A ND2 HIS 266.A O no hydrogen 2.923 N/A ARG 256.A N ILE 253.A O no hydrogen 3.140 N/A ARG 256.A NH2 GLY 47.A O no hydrogen 2.740 N/A GLU 263.A N PRO 260.A O no hydrogen 2.828 N/A GLN 264.A N LEU 261.A O no hydrogen 3.216 N/A GLN 264.A NE2 GLY 259.A O no hydrogen 2.997 N/A LEU 265.A N ILE 253.A O no hydrogen 2.929 N/A HIS 266.A NE2 GLN 264.A OE1 no hydrogen 2.777 N/A ARG 268.A N ALA 73.A O no hydrogen 3.194 N/A ARG 268.A NH1 GLU 70.A OE1 no hydrogen 2.881 N/A ARG 268.A NH1 TYR 71.A O no hydrogen 2.819 N/A ARG 268.A NH2 GLU 70.A OE1 no hydrogen 2.955 N/A HIS 269.A N ASP 273.A OD2 no hydrogen 2.718 N/A HIS 269.A ND1 ASP 72.A OD1 no hydrogen 2.713 N/A HIS 269.A NE2 GLU 267.A OE1 no hydrogen 2.855 N/A ASP 270.A N ASP 273.A OD2 no hydrogen 3.269 N/A ASP 273.A N ASP 270.A O no hydrogen 2.976 N/A PHE 274.A N ALA 271.A O no hydrogen 3.232 N/A GLU 275.A N SER 272.A O no hydrogen 2.785 N/A THR 276.A N ASP 273.A O no hydrogen 3.251 N/A THR 276.A OG1 ASN 277.A OD1 no hydrogen 2.765 N/A ASN 277.A N ASP 273.A O no hydrogen 2.876 N/A THR 278.A OG1 ASP 280.A OD1 no hydrogen 2.559 N/A GLU 279.A N GLN 264.A O no hydrogen 2.933 N/A ASP 280.A N LEU 261.A O no hydrogen 3.289 N/A LYS 281.A N THR 278.A O no hydrogen 2.767 N/A ARG 282.A N GLU 279.A O no hydrogen 3.020 N/A