Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cg8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 39.A O no hydrogen 3.049 N/A GLY 1.A N ASP 41.A OD1 no hydrogen 2.660 N/A GLU 3.A N ASP 41.A OD1 no hydrogen 3.014 N/A ARG 5.A N THR 42.A O no hydrogen 2.888 N/A MET 9.A N GLU 46.A O no hydrogen 3.044 N/A TYR 10.A N GLY 22.A O no hydrogen 2.892 N/A ALA 11.A N THR 48.A O no hydrogen 3.146 N/A GLU 12.A N GLY 20.A O no hydrogen 3.038 N/A LYS 13.A NZ ASP 52.A OD1 no hydrogen 3.166 N/A LEU 14.A N GLN 18.A O no hydrogen 2.850 N/A GLN 18.A N ALA 15.A O no hydrogen 3.141 N/A MET 19.A N ASN 127.A O no hydrogen 3.022 N/A GLY 20.A N GLU 12.A O no hydrogen 3.110 N/A TYR 21.A OH SER 56.A O no hydrogen 2.553 N/A GLY 22.A N TYR 10.A O no hydrogen 3.046 N/A GLY 26.A N GLU 12.A OE1 no hydrogen 2.999 N/A LYS 27.A N GLU 24.A O no hydrogen 2.964 N/A LYS 27.A NZ GLU 24.A OE1 no hydrogen 2.597 N/A SER 29.A N TYR 21.A O no hydrogen 2.872 N/A SER 29.A OG PRO 31.A O no hydrogen 2.834 N/A GLY 32.A N TYR 130.A O no hydrogen 2.824 N/A ILE 35.A N PRO 132.A O no hydrogen 3.233 N/A VAL 37.A N ILE 134.A O no hydrogen 2.912 N/A ASN 38.A N ASP 41.A OD2 no hydrogen 3.073 N/A GLU 39.A N ARG 136.A O no hydrogen 3.009 N/A GLY 40.A N THR 90.A OG1 no hydrogen 2.789 N/A ASP 41.A N ASN 38.A O no hydrogen 2.989 N/A THR 42.A N GLU 3.A O no hydrogen 3.006 N/A LEU 43.A N TRP 88.A O no hydrogen 2.805 N/A HIS 44.A N ARG 5.A O no hydrogen 2.940 N/A HIS 44.A ND1 THR 87.A OG1 no hydrogen 2.799 N/A ILE 45.A N TYR 86.A O no hydrogen 2.810 N/A GLU 46.A N LEU 7.A O no hydrogen 2.860 N/A PHE 47.A N ARG 84.A O no hydrogen 2.763 N/A THR 48.A N MET 9.A O no hydrogen 2.935 N/A THR 48.A OG1 THR 83.A OG1 no hydrogen 2.992 N/A ASN 49.A N GLY 82.A O no hydrogen 2.968 N/A ASN 49.A ND2 VAL 53.A O no hydrogen 2.762 N/A ASN 49.A ND2 VAL 78.A O no hydrogen 3.090 N/A ASN 49.A ND2 GLU 79.A O no hydrogen 3.385 N/A THR 50.A N ALA 11.A O no hydrogen 3.128 N/A THR 50.A OG1 ALA 11.A O no hydrogen 2.758 N/A MET 51.A N ASN 49.A OD1 no hydrogen 2.823 N/A ARG 54.A NE ASP 77.A OD2 no hydrogen 2.857 N/A ARG 54.A NH2 ASP 77.A OD1 no hydrogen 2.978 N/A ALA 55.A N VAL 78.A O no hydrogen 3.205 N/A SER 56.A N ASP 113.A OD1 no hydrogen 2.947 N/A SER 56.A OG GLY 70.A O no hydrogen 2.773 N/A SER 56.A OG ASP 113.A OD1 no hydrogen 3.543 N/A HIS 58.A N HIS 112.A O no hydrogen 2.866 N/A HIS 58.A ND1 ASP 69.A O no hydrogen 2.911 N/A HIS 60.A N HIS 110.A O no hydrogen 2.922 N/A LEU 62.A N HIS 60.A O no hydrogen 2.883 N/A ASP 63.A N ARG 89.A O no hydrogen 2.904 N/A SER 68.A N GLU 65.A O no hydrogen 2.690 N/A ASP 69.A N ILE 66.A O no hydrogen 3.203 N/A GLY 70.A N SER 76.A OG no hydrogen 3.097 N/A THR 71.A N ASP 69.A OD1 no hydrogen 3.109 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.889 N/A THR 71.A OG1 ASP 69.A OD2 no hydrogen 2.998 N/A ASN 74.A N THR 71.A OG1 no hydrogen 3.301 N/A ASN 74.A ND2 ASP 69.A OD2 no hydrogen 2.868 N/A LYS 75.A N ALA 72.A O no hydrogen 2.840 N/A SER 76.A N THR 71.A O no hydrogen 2.870 N/A SER 76.A OG SER 67.A O no hydrogen 2.661 N/A VAL 78.A N ALA 55.A O no hydrogen 2.923 N/A GLY 82.A N GLU 79.A O no hydrogen 2.897 N/A THR 83.A OG1 THR 48.A OG1 no hydrogen 2.992 N/A ARG 84.A N PHE 47.A O no hydrogen 2.916 N/A ARG 84.A NH2 SER 67.A O no hydrogen 3.048 N/A TYR 86.A N ILE 45.A O no hydrogen 2.862 N/A TYR 86.A OH SER 76.A O no hydrogen 2.672 N/A THR 87.A N SER 68.A OG no hydrogen 3.053 N/A THR 87.A OG1 HIS 44.A ND1 no hydrogen 2.799 N/A TRP 88.A N LEU 43.A O no hydrogen 2.904 N/A ARG 89.A N ASP 63.A O no hydrogen 2.735 N/A ARG 89.A NH1 GLU 65.A OE2 no hydrogen 3.503 N/A THR 90.A N ASP 41.A O no hydrogen 3.164 N/A THR 90.A OG1 ASN 38.A O no hydrogen 3.309 N/A THR 90.A OG1 ASP 41.A O no hydrogen 2.914 N/A HIS 91.A N SER 105.A OG no hydrogen 2.928 N/A HIS 91.A ND1 ASP 63.A OD2 no hydrogen 2.751 N/A GLY 94.A N ARG 102.A O no hydrogen 3.174 N/A ARG 95.A NE GLY 99.A O no hydrogen 2.984 N/A ARG 96.A N THR 100.A O no hydrogen 2.719 N/A ARG 96.A NH1 THR 100.A OG1 no hydrogen 2.893 N/A GLY 99.A N ARG 96.A O no hydrogen 2.815 N/A THR 100.A N ASP 98.A OD1 no hydrogen 2.719 N/A THR 100.A OG1 ASP 98.A OD1 no hydrogen 2.544 N/A THR 100.A OG1 ASP 98.A OD2 no hydrogen 3.390 N/A ARG 102.A N GLY 94.A O no hydrogen 2.762 N/A GLY 104.A N HIS 91.A NE2 no hydrogen 3.253 N/A SER 105.A N HIS 91.A O no hydrogen 3.072 N/A SER 105.A OG HIS 91.A ND1 no hydrogen 3.262 N/A ALA 106.A N GLU 39.A OE2 no hydrogen 2.811 N/A GLY 107.A N VAL 135.A O no hydrogen 3.067 N/A TYR 108.A OH GLU 176.A OE2 no hydrogen 2.507 N/A TRP 109.A N VAL 133.A O no hydrogen 2.798 N/A TRP 109.A NE1 SER 105.A O no hydrogen 3.007 N/A HIS 110.A NE2 ALA 222.A O no hydrogen 2.945 N/A TYR 111.A N GLY 131.A O no hydrogen 2.821 N/A TYR 111.A OH PRO 33.A O no hydrogen 2.645 N/A HIS 112.A N HIS 58.A O no hydrogen 2.809 N/A HIS 112.A ND1 ASP 113.A O no hydrogen 2.829 N/A ASP 113.A N LEU 129.A O no hydrogen 3.113 N/A HIS 114.A N SER 56.A OG no hydrogen 3.038 N/A HIS 114.A ND1 HIS 114.A O no hydrogen 2.631 N/A VAL 115.A N ASP 113.A OD1 no hydrogen 3.326 N/A VAL 115.A N ASP 113.A OD2 no hydrogen 3.053 N/A VAL 116.A N ASP 113.A OD2 no hydrogen 2.603 N/A THR 118.A OG1 THR 122.A OG1 no hydrogen 3.243 N/A HIS 120.A N THR 118.A OG1 no hydrogen 2.983 N/A GLY 121.A N THR 118.A O no hydrogen 3.084 N/A THR 122.A OG1 THR 118.A OG1 no hydrogen 3.243 N/A GLY 123.A N VAL 116.A O no hydrogen 3.027 N/A GLY 124.A N VAL 116.A O no hydrogen 3.154 N/A ILE 125.A N GLY 121.A O no hydrogen 2.878 N/A ARG 126.A N THR 122.A O no hydrogen 3.096 N/A ARG 126.A NH1 ASP 153.A OD2 no hydrogen 3.562 N/A ASN 127.A N GLY 123.A O no hydrogen 2.983 N/A GLY 128.A N GLY 124.A O no hydrogen 2.959 N/A GLY 128.A N ILE 125.A O no hydrogen 3.166 N/A LEU 129.A N GLY 124.A O no hydrogen 2.947 N/A TYR 130.A N GLY 128.A O no hydrogen 2.860 N/A TYR 130.A OH ASN 158.A OD1 no hydrogen 2.474 N/A GLY 131.A N TYR 111.A O no hydrogen 2.934 N/A VAL 133.A N TRP 109.A O no hydrogen 3.055 N/A ILE 134.A N ILE 35.A O no hydrogen 2.956 N/A VAL 135.A N GLY 107.A O no hydrogen 3.058 N/A ARG 136.A N VAL 37.A O no hydrogen 2.942 N/A ARG 136.A NE GLU 36.A OE2 no hydrogen 2.642 N/A ARG 136.A NH1 GLU 176.A OE1 no hydrogen 3.339 N/A ARG 136.A NH1 GLU 176.A OE2 no hydrogen 2.704 N/A ARG 136.A NH2 GLU 36.A OE2 no hydrogen 2.891 N/A ARG 136.A NH2 GLU 176.A OE1 no hydrogen 2.705 N/A ARG 137.A N ASP 140.A OD2 no hydrogen 2.947 N/A ARG 137.A NE GLU 39.A OE1 no hydrogen 3.079 N/A ARG 137.A NH2 GLU 39.A OE2 no hydrogen 2.781 N/A ASP 140.A N ARG 137.A O no hydrogen 2.907 N/A ASP 144.A N ARG 174.A O no hydrogen 2.769 N/A THR 146.A OG1 GLU 176.A OE1 no hydrogen 2.740 N/A HIS 147.A N GLU 176.A O no hydrogen 2.793 N/A ILE 149.A N VAL 178.A O no hydrogen 2.902 N/A VAL 150.A N ASN 157.A OD1 no hydrogen 2.779 N/A PHE 151.A N ILE 180.A O no hydrogen 2.923 N/A ASN 152.A N THR 155.A O no hydrogen 3.052 N/A ASN 152.A ND2 ILE 125.A O no hydrogen 2.979 N/A ASN 152.A ND2 ARG 126.A O no hydrogen 3.514 N/A ASN 152.A ND2 ASN 158.A OD1 no hydrogen 2.810 N/A ASP 153.A N HIS 182.A O no hydrogen 3.033 N/A THR 155.A N ASN 152.A O no hydrogen 2.914 N/A THR 155.A OG1 ASN 152.A O no hydrogen 2.660 N/A ASN 157.A N VAL 150.A O no hydrogen 2.866 N/A ASN 157.A ND2 THR 148.A O no hydrogen 3.039 N/A ASN 158.A ND2 GLN 18.A OE1 no hydrogen 3.533 N/A ASN 158.A ND2 ARG 126.A O no hydrogen 2.810 N/A ARG 159.A N ILE 156.A O no hydrogen 2.943 N/A ARG 159.A NE THR 163.A O no hydrogen 3.042 N/A ARG 159.A NH2 THR 163.A O no hydrogen 3.071 N/A HIS 162.A N GLY 253.A O no hydrogen 3.208 N/A THR 163.A OG1 LYS 160.A O no hydrogen 2.654 N/A PHE 167.A N LEU 257.A O no hydrogen 2.949 N/A ALA 169.A N LEU 259.A O no hydrogen 2.953 N/A THR 170.A N ASP 173.A OD2 no hydrogen 2.840 N/A VAL 171.A N LYS 261.A O no hydrogen 2.914 N/A GLY 172.A N ALA 231.A O no hydrogen 2.892 N/A ASP 173.A N THR 170.A O no hydrogen 2.829 N/A ARG 174.A N ASP 144.A OD2 no hydrogen 2.899 N/A ARG 174.A NH1 GLN 228.A OE1 no hydrogen 2.950 N/A VAL 175.A N ILE 229.A O no hydrogen 2.904 N/A GLU 176.A N ALA 145.A O no hydrogen 2.820 N/A ILE 177.A N PHE 227.A O no hydrogen 2.757 N/A VAL 178.A N HIS 147.A O no hydrogen 2.910 N/A MET 179.A N PHE 225.A O no hydrogen 2.804 N/A ILE 180.A N ILE 149.A O no hydrogen 3.026 N/A THR 181.A N ASP 223.A O no hydrogen 3.105 N/A THR 181.A OG1 THR 219.A OG1 no hydrogen 2.685 N/A HIS 182.A N PHE 151.A O no hydrogen 2.923 N/A GLU 184.A N ASP 153.A OD1 no hydrogen 2.846 N/A HIS 187.A N THR 219.A O no hydrogen 2.967 N/A PHE 189.A N LYS 217.A O no hydrogen 2.919 N/A HIS 190.A N HIS 243.A O no hydrogen 2.963 N/A HIS 190.A ND1 ASP 215.A O no hydrogen 2.684 N/A MET 191.A N ASP 215.A O no hydrogen 3.456 N/A HIS 192.A N MET 241.A O no hydrogen 2.838 N/A HIS 194.A ND1 HIS 192.A O no hydrogen 2.959 N/A TRP 196.A N ILE 214.A O no hydrogen 2.963 N/A ALA 197.A N GLY 202.A O no hydrogen 2.900 N/A ASP 198.A N ARG 212.A O no hydrogen 2.850 N/A ASN 199.A ND2 ILE 203.A O no hydrogen 2.944 N/A ASN 199.A ND2 ASP 209.A OD2 no hydrogen 3.051 N/A ARG 200.A NH1 ASP 140.A OD2 no hydrogen 3.109 N/A ARG 200.A NH2 ASP 140.A OD1 no hydrogen 2.997 N/A ARG 200.A NH2 ASP 140.A OD2 no hydrogen 3.439 N/A GLY 202.A N ASN 199.A OD1 no hydrogen 2.892 N/A ILE 203.A N THR 201.A OG1 no hydrogen 3.205 N/A THR 205.A N ASP 209.A OD2 no hydrogen 3.391 N/A ASP 209.A N GLY 206.A O no hydrogen 3.442 N/A SER 211.A N ASP 209.A OD1 no hydrogen 3.030 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.567 N/A ILE 214.A N TRP 196.A O no hydrogen 2.790 N/A LYS 217.A N PHE 189.A O no hydrogen 3.051 N/A LYS 217.A NZ ASP 198.A OD1 no hydrogen 3.357 N/A LYS 217.A NZ ASP 198.A OD2 no hydrogen 3.026 N/A THR 219.A N HIS 187.A O no hydrogen 2.893 N/A THR 219.A OG1 THR 181.A OG1 no hydrogen 2.685 N/A GLY 220.A N ASP 223.A OD2 no hydrogen 3.072 N/A ALA 222.A N THR 181.A O no hydrogen 2.620 N/A ASP 223.A N GLY 220.A O no hydrogen 2.989 N/A SER 224.A OG TYR 108.A O no hydrogen 2.700 N/A PHE 225.A N MET 179.A O no hydrogen 2.996 N/A PHE 227.A N ILE 177.A O no hydrogen 3.000 N/A GLN 228.A NE2 VAL 141.A O no hydrogen 2.818 N/A GLN 228.A NE2 GLU 176.A OE2 no hydrogen 3.009 N/A ILE 229.A N VAL 175.A O no hydrogen 2.991 N/A ALA 231.A N ASP 173.A O no hydrogen 2.866 N/A GLY 232.A N HIS 194.A NE2 no hydrogen 3.000 N/A GLU 233.A N ILE 230.A O no hydrogen 3.088 N/A VAL 235.A N GLY 232.A O no hydrogen 2.933 N/A GLY 236.A N GLY 232.A O no hydrogen 2.782 N/A GLY 238.A N VAL 260.A O no hydrogen 2.967 N/A TRP 240.A N PHE 258.A O no hydrogen 2.982 N/A TRP 240.A NE1 GLY 236.A O no hydrogen 3.107 N/A TYR 242.A N GLY 256.A O no hydrogen 3.120 N/A TYR 242.A OH PRO 165.A O no hydrogen 2.745 N/A HIS 243.A N HIS 190.A O no hydrogen 2.800 N/A HIS 243.A ND1 CYS 244.A O no hydrogen 2.819 N/A CYS 244.A N MET 254.A O no hydrogen 3.091 N/A CYS 244.A SG HIS 187.A ND1 no hydrogen 3.740 N/A CYS 244.A SG THR 188.A O no hydrogen 3.611 N/A CYS 244.A SG HIS 249.A ND1 no hydrogen 3.609 N/A HIS 245.A N THR 188.A O no hydrogen 2.921 N/A HIS 245.A ND1 HIS 245.A O no hydrogen 2.890 N/A HIS 245.A ND1 GLN 247.A OE1 no hydrogen 2.961 N/A HIS 249.A N VAL 246.A O no hydrogen 2.941 N/A SER 250.A N VAL 246.A O no hydrogen 3.247 N/A SER 250.A OG GLN 247.A O no hydrogen 3.057 N/A ASP 251.A N GLN 247.A O no hydrogen 3.134 N/A MET 252.A N SER 248.A O no hydrogen 2.883 N/A GLY 253.A N SER 250.A O no hydrogen 3.214 N/A MET 254.A N HIS 249.A O no hydrogen 3.144 N/A GLY 256.A N TYR 242.A O no hydrogen 2.931 N/A LEU 257.A N ASP 166.A OD2 no hydrogen 2.922 N/A PHE 258.A N TRP 240.A O no hydrogen 2.667 N/A LEU 259.A N PHE 167.A O no hydrogen 2.845 N/A VAL 260.A N GLY 238.A O no hydrogen 2.893 N/A LYS 261.A N ALA 169.A O no hydrogen 2.868 N/A LYS 261.A NZ GLU 168.A OE1 no hydrogen 3.027 N/A LYS 262.A N THR 266.A O no hydrogen 2.931 N/A GLY 265.A N LYS 262.A O no hydrogen 2.723 N/A THR 266.A N ASP 264.A OD1 no hydrogen 3.092 N/A THR 266.A OG1 ASP 264.A OD1 no hydrogen 2.489 N/A