Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s12_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 13.A N ASN 11A.A OD1 no hydrogen 3.099 N/A SER 13.A OG VAL 27.A O no hydrogen 2.870 N/A SER 13.A OG THR 28.A O no hydrogen 3.352 N/A GLN 16.A NE2 THR 26A.A OG1 no hydrogen 3.205 N/A VAL 17.A N VAL 25.A O no hydrogen 2.933 N/A THR 19.A N GLU 22.A O no hydrogen 2.932 N/A VAL 25.A N VAL 17.A O no hydrogen 2.983 N/A VAL 27.A N GLU 15.A O no hydrogen 2.894 N/A THR 28.A N LEU 315.A O no hydrogen 2.710 N/A THR 28.A OG1 LEU 315.A O no hydrogen 2.685 N/A THR 28.A OG1 ASN 317.A OD1 no hydrogen 3.134 N/A GLN 31.A N LEU 311.A O no hydrogen 2.841 N/A ILE 33.A N LEU 309.A O no hydrogen 3.022 N/A GLU 35.A N PHE 289.A O no hydrogen 2.897 N/A LYS 36.A NZ ASP 32.A OD1 no hydrogen 3.058 N/A LYS 36.A NZ ASP 32.A OD2 no hydrogen 2.942 N/A ASN 39.A N ALA 282.A O no hydrogen 3.090 N/A GLY 40.A N HIS 38.A ND1 no hydrogen 2.965 N/A LYS 41.A N ASN 39.A OD1 no hydrogen 3.149 N/A LEU 42.A N GLU 268.A O no hydrogen 2.979 N/A CYS 43.A N GLN 277.A OE1 no hydrogen 2.991 N/A CYS 43.A SG LYS 41.A O no hydrogen 3.868 N/A ASP 44.A N CYS 272.A O no hydrogen 2.699 N/A ASP 46.A N THR 274.A O no hydrogen 3.172 N/A VAL 48.A N LEU 45A.A O no hydrogen 3.283 N/A LEU 51.A N TYR 76.A O no hydrogen 2.961 N/A LEU 53.A N VAL 78.A O no hydrogen 3.009 N/A ARG 54.A NH1 ASP 69.A OD2 no hydrogen 2.797 N/A SER 57.A OG ASP 86.A OD1 no hydrogen 2.311 N/A VAL 58.A N GLU 79.A OE2 no hydrogen 2.890 N/A ALA 59.A N TYR 96.A OH no hydrogen 2.833 N/A GLY 60.A N SER 57.A OG no hydrogen 3.129 N/A TRP 61.A N SER 57.A O no hydrogen 2.938 N/A LEU 62.A N VAL 58.A O no hydrogen 2.877 N/A LEU 63.A N ALA 59.A O no hydrogen 2.946 N/A GLY 64.A N GLY 60.A O no hydrogen 2.971 N/A ASN 65.A N GLY 60.A O no hydrogen 2.866 N/A ASN 65.A ND2 ASP 86.A O no hydrogen 2.993 N/A MET 67.A N ASN 65.A OD1 no hydrogen 2.839 N/A CYS 68.A N ASN 65.A O no hydrogen 3.190 N/A TRP 74.A N ILE 106.A O no hydrogen 3.076 N/A TRP 74.A NE1 LEU 103.A O no hydrogen 2.767 N/A SER 75.A OG VAL 48.A O no hydrogen 2.758 N/A TYR 76.A OH CYS 43.A O no hydrogen 2.725 N/A VAL 78.A N LEU 51.A O no hydrogen 2.994 N/A GLU 79.A N MET 263.A O no hydrogen 3.042 N/A LYS 80.A NZ ARG 54.A O no hydrogen 3.218 N/A ALA 81.A N GLU 266.A OE2 no hydrogen 3.107 N/A ALA 84.A N ASP 55.A OD1 no hydrogen 2.603 N/A ASN 85.A N ASP 55.A O no hydrogen 3.314 N/A ASP 92.A N MET 224.A O no hydrogen 2.937 N/A PHE 93.A N ASP 92.A OD2 no hydrogen 3.078 N/A ASN 94.A N PHE 226.A O no hydrogen 2.893 N/A LEU 99.A N ASP 95.A O no hydrogen 3.212 N/A LYS 100.A N TYR 96.A O no hydrogen 2.888 N/A LYS 100.A NZ GLU 79.A OE1 no hydrogen 3.302 N/A HIS 101.A N GLU 97.A O no hydrogen 3.038 N/A LEU 102.A N GLU 98.A O no hydrogen 2.851 N/A LEU 103.A N LEU 99.A O no hydrogen 2.870 N/A SER 104.A N HIS 101.A O no hydrogen 3.254 N/A SER 104.A OG HIS 101.A O no hydrogen 2.688 N/A ASN 107.A N VAL 255.A O no hydrogen 2.958 N/A HIS 108.A N VAL 255.A O no hydrogen 3.314 N/A HIS 108.A ND1 GLU 168.A OE1 no hydrogen 2.920 N/A GLU 110.A N LYS 253.A O no hydrogen 3.076 N/A LYS 111.A NZ ASN 144.A OD1 no hydrogen 3.265 N/A ILE 112.A N ALA 251.A O no hydrogen 2.970 N/A GLN 113.A NE2 GLU 249.A OE2 no hydrogen 3.122 N/A ILE 114.A N GLU 249.A O no hydrogen 2.735 N/A ILE 115.A N GLU 249.A O no hydrogen 3.195 N/A SER 119.A N PRO 116.A O no hydrogen 2.817 N/A SER 119.A OG PRO 116.A O no hydrogen 2.709 N/A HIS 123.A NE2 PRO 156.A O no hydrogen 2.671 N/A GLU 124.A N ILE 149.A O no hydrogen 2.868 N/A SER 126.A N GLU 124.A OE2 no hydrogen 2.725 N/A SER 126.A OG GLU 124.A OE2 no hydrogen 2.722 N/A VAL 129.A N SER 127A.A O no hydrogen 2.918 N/A SER 130.A N SER 140.A O no hydrogen 2.871 N/A ALA 132.A N SER 130.A OG no hydrogen 3.063 N/A CYS 133.A N SER 130.A O no hydrogen 3.079 N/A TYR 135.A N LYS 138.A O no hydrogen 2.750 N/A LYS 138.A N TYR 135.A O no hydrogen 2.846 N/A SER 140.A N SER 130.A O no hydrogen 3.320 N/A SER 140.A N CYS 133.A O no hydrogen 2.908 N/A ARG 143.A N GLY 64.A O no hydrogen 2.688 N/A ASN 144.A N LEU 63.A O no hydrogen 2.924 N/A ASN 144.A ND2 LEU 62.A O no hydrogen 2.756 N/A VAL 146.A N ALA 247.A O no hydrogen 2.706 N/A TRP 147.A NE1 TYR 189.A OH no hydrogen 3.042 N/A ILE 149.A N GLU 124.A O no hydrogen 3.213 N/A LYS 150.A N LEU 188.A O no hydrogen 3.084 N/A LYS 150.A NZ THR 186.A O no hydrogen 2.902 N/A LYS 150.A NZ LYS 187.A O no hydrogen 2.958 N/A LYS 150.A NZ GLN 190.A OE1 no hydrogen 2.792 N/A LYS 151.A N ALA 154.A O no hydrogen 3.187 N/A LYS 151.A NZ SER 121.A O no hydrogen 2.760 N/A ALA 154.A N LYS 151.A O no hydrogen 3.147 N/A ILE 158.A N SER 241.A O no hydrogen 2.671 N/A ARG 160.A N PHE 239.A O no hydrogen 3.015 N/A ARG 160.A NH2 SER 119.A O no hydrogen 2.732 N/A ARG 160.A NH2 SER 119.A OG no hydrogen 2.772 N/A SER 161.A OG ILE 237.A O no hydrogen 3.409 N/A TYR 162.A N ILE 237.A O no hydrogen 2.993 N/A ASN 164.A N ASP 235.A O no hydrogen 2.830 N/A ASN 164.A ND2 GLU 168.A O no hydrogen 3.039 N/A ASN 166.A ND2 TYR 162.A OH no hydrogen 3.237 N/A ASN 166.A ND2 ASN 164.A OD1 no hydrogen 2.971 N/A LEU 170.A N LEU 231.A O no hydrogen 2.936 N/A LEU 171.A N TYR 252.A O no hydrogen 2.743 N/A VAL 172.A N THR 229.A O no hydrogen 3.000 N/A TRP 174.A N PHE 227.A O no hydrogen 2.936 N/A GLY 175.A N ILE 246.A O no hydrogen 3.021 N/A ILE 176.A N GLU 225.A O no hydrogen 2.864 N/A HIS 177.A N ASN 244.A O no hydrogen 2.843 N/A HIS 178.A N ARG 223.A O no hydrogen 2.628 N/A HIS 178.A NE2 GLU 225.A OE1 no hydrogen 2.970 N/A ASN 180.A N GLU 184.A OE2 no hydrogen 2.852 N/A GLU 184.A N ASP 181.A OD1 no hydrogen 2.967 N/A GLN 185.A N ASP 181.A O no hydrogen 3.203 N/A GLN 185.A NE2 ASN 191.A O no hydrogen 3.144 N/A GLN 185.A NE2 ASN 244.A OD1 no hydrogen 2.968 N/A THR 186.A N ALA 182.A O no hydrogen 3.131 N/A THR 186.A OG1 ALA 182.A O no hydrogen 3.038 N/A THR 186.A OG1 ALA 183.A O no hydrogen 3.110 N/A LYS 187.A N ALA 183.A O no hydrogen 2.782 N/A LEU 188.A N GLU 184.A O no hydrogen 2.861 N/A TYR 189.A N GLN 185.A O no hydrogen 2.795 N/A TYR 189.A OH HIS 177.A ND1 no hydrogen 2.428 N/A GLN 190.A N THR 186.A O no hydrogen 2.928 N/A ASN 191.A N TYR 189.A O no hydrogen 2.556 N/A ASN 191.A ND2 TYR 155.A O no hydrogen 3.286 N/A ASN 191.A ND2 ASN 242.A O no hydrogen 2.690 N/A THR 194.A OG1 ASN 244.A OD1 no hydrogen 2.757 N/A TYR 195.A N ASN 242.A OD1 no hydrogen 2.839 N/A TYR 195.A OH GLU 240.A OE1 no hydrogen 2.795 N/A ILE 196.A N LEU 207.A O no hydrogen 2.850 N/A SER 197.A N GLU 240.A O no hydrogen 2.674 N/A SER 197.A OG GLU 240.A O no hydrogen 3.548 N/A VAL 198.A N GLN 205.A O no hydrogen 2.928 N/A GLY 199.A N ASN 238.A O no hydrogen 3.149 N/A THR 200.A N LEU 203.A O no hydrogen 3.198 N/A SER 201.A N ASP 235.A OD2 no hydrogen 3.088 N/A SER 201.A OG ASP 235.A OD2 no hydrogen 3.142 N/A THR 202.A N THR 200.A OG1 no hydrogen 3.038 N/A LEU 203.A N THR 200.A OG1 no hydrogen 2.847 N/A GLN 205.A N VAL 198.A O no hydrogen 2.840 N/A LEU 207.A N ILE 196.A O no hydrogen 2.753 N/A LYS 210.A N HIS 178.A ND1 no hydrogen 2.844 N/A ARG 214.A NH1 PRO 179.A O no hydrogen 2.990 N/A ARG 214.A NH1 SER 221.A O no hydrogen 3.421 N/A ARG 214.A NH2 PRO 179.A O no hydrogen 3.477 N/A VAL 217.A N GLN 220.A O no hydrogen 2.715 N/A GLN 220.A N VAL 217.A O no hydrogen 2.887 N/A ARG 223.A N HIS 178.A O no hydrogen 2.850 N/A ARG 223.A NH1 GLN 220.A O no hydrogen 3.181 N/A ARG 223.A NH1 GLY 222.A O no hydrogen 2.793 N/A ARG 223.A NH2 SER 215.A O no hydrogen 2.847 N/A MET 224.A N PRO 90.A O no hydrogen 2.994 N/A GLU 225.A N ILE 176.A O no hydrogen 2.975 N/A PHE 226.A N ASP 92.A O no hydrogen 2.882 N/A PHE 227.A N TRP 174.A O no hydrogen 2.825 N/A TRP 228.A NE1 ASN 94.A O no hydrogen 3.002 N/A TRP 228.A NE1 ASP 95.A O no hydrogen 2.975 N/A THR 229.A N VAL 172.A O no hydrogen 3.042 N/A LEU 231.A N LEU 170.A O no hydrogen 2.688 N/A ASN 234.A N ASN 164.A O no hydrogen 2.796 N/A ASP 235.A N LYS 232.A O no hydrogen 3.167 N/A ILE 237.A N TYR 162.A O no hydrogen 2.972 N/A ASN 238.A N GLY 199.A O no hydrogen 2.851 N/A ASN 238.A ND2 GLY 199.A O no hydrogen 3.375 N/A PHE 239.A N ARG 160.A O no hydrogen 2.799 N/A GLU 240.A N SER 197.A O no hydrogen 2.901 N/A SER 241.A N ILE 158.A O no hydrogen 3.181 N/A SER 241.A OG TYR 195.A O no hydrogen 2.852 N/A ASN 242.A N TYR 195.A O no hydrogen 3.470 N/A ASN 242.A ND2 THR 193.A O no hydrogen 2.851 N/A GLY 243.A N SER 241.A OG no hydrogen 3.047 N/A ASN 244.A ND2 HIS 177.A O no hydrogen 2.926 N/A ASN 244.A ND2 GLN 185.A OE1 no hydrogen 2.814 N/A ILE 246.A N GLY 175.A O no hydrogen 2.821 N/A ALA 247.A N VAL 146.A O no hydrogen 2.760 N/A GLU 249.A N ASN 144.A O no hydrogen 3.106 N/A TYR 250.A N ASN 144.A O no hydrogen 3.275 N/A ALA 251.A N ILE 112.A O no hydrogen 2.834 N/A TYR 252.A N LEU 171.A O no hydrogen 2.946 N/A TYR 252.A OH LEU 62.A O no hydrogen 2.656 N/A LYS 253.A N GLU 110.A O no hydrogen 2.790 N/A LYS 253.A NZ GLU 110.A OE1 no hydrogen 2.792 N/A LYS 253.A NZ GLU 110.A OE2 no hydrogen 3.311 N/A ILE 254.A N ASP 169.A O no hydrogen 2.713 N/A VAL 255.A N HIS 108.A O no hydrogen 2.947 N/A LYS 256.A NZ LEU 102.A O no hydrogen 3.231 N/A LYS 256.A NZ ARG 105.A O no hydrogen 3.331 N/A LYS 256.A NZ GLY 258.A O no hydrogen 2.467 N/A LYS 256.A NZ ASP 259A.A OD1 no hydrogen 2.987 N/A SER 260.A N SER 104.A OG no hydrogen 3.040 N/A SER 260.A OG SER 75.A O no hydrogen 3.186 N/A SER 260.A OG ALA 261.A O no hydrogen 3.092 N/A MET 263.A N ILE 77.A O no hydrogen 2.798 N/A LYS 264.A NZ GLU 79.A OE1 no hydrogen 3.331 N/A LYS 264.A NZ LYS 80.A O no hydrogen 3.421 N/A LYS 264.A NZ ALA 81.A O no hydrogen 3.120 N/A SER 265.A N GLU 79.A O no hydrogen 3.217 N/A SER 265.A OG PRO 279.A O no hydrogen 2.758 N/A LEU 267.A N SER 265.A OG no hydrogen 3.189 N/A TYR 269.A OH ASP 44.A OD1 no hydrogen 2.439 N/A GLY 270.A N LEU 42.A O no hydrogen 3.027 N/A CYS 272.A SG ASN 273.A O no hydrogen 4.020 N/A THR 274.A N ASP 44.A O no hydrogen 3.053 N/A THR 274.A OG1 CYS 276.A O no hydrogen 2.751 N/A THR 274.A OG1 ILE 283.A O no hydrogen 3.276 N/A CYS 276.A N THR 274.A OG1 no hydrogen 2.981 N/A GLN 277.A N ILE 297.A O no hydrogen 2.705 N/A GLN 277.A NE2 LYS 41.A O no hydrogen 3.137 N/A GLN 277.A NE2 THR 278.A O no hydrogen 2.689 N/A GLY 281.A N THR 278.A O no hydrogen 3.083 N/A ALA 282.A N ASN 39.A OD1 no hydrogen 2.683 N/A ALA 282.A N LYS 41.A O no hydrogen 3.262 N/A ILE 283.A N CYS 276.A O no hydrogen 3.217 N/A SER 285.A OG GLU 299.A O no hydrogen 2.557 N/A HIS 290.A N LYS 302.A O no hydrogen 2.916 N/A HIS 290.A NE2 HIS 293.A O no hydrogen 3.159 N/A ASN 291.A N GLU 35.A O no hydrogen 3.309 N/A ASN 291.A ND2 SER 306.A O no hydrogen 2.770 N/A LEU 295.A N HIS 293.A ND1 no hydrogen 3.352 N/A ILE 297.A N GLN 277.A O no hydrogen 2.898 N/A GLU 299.A N LYS 275.A O no hydrogen 2.889 N/A LYS 302.A N PRO 288.A O no hydrogen 3.109 N/A VAL 304.A N HIS 290.A O no hydrogen 3.013 N/A ARG 308.A NH2 GLN 16.A O no hydrogen 3.235 N/A LEU 311.A N GLN 31.A O no hydrogen 2.658 N/A THR 313.A N HIS 29.A O no hydrogen 3.168 N/A GLY 314.A N HIS 29.A O no hydrogen 2.626 N/A LEU 315.A N THR 28.A OG1 no hydrogen 3.201 N/A ASN 317.A ND2 ASN 11A.A OD1 no hydrogen 3.567 N/A ASN 11A.A ND2 THR 28.A O no hydrogen 3.457 N/A LEU 45A.A N VAL 48.A O no hydrogen 3.136 N/A SER 127A.A OG GLU 124.A OE2 no hydrogen 3.332 N/A