Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3scm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N MET 100.A O no hydrogen 3.550 N/A PHE 4.A N CYS 98.A O no hydrogen 2.629 N/A ARG 5.A N TRP 25.A O no hydrogen 2.859 N/A CYS 6.A N ALA 96.A O no hydrogen 2.547 N/A LEU 7.A N VAL 23.A O no hydrogen 2.782 N/A GLN 8.A N LEU 94.A O no hydrogen 2.902 N/A GLN 8.A NE2 SER 10.A OG no hydrogen 3.109 N/A MET 9.A N ASP 21.A O no hydrogen 2.734 N/A SER 10.A N ILE 92.A O no hydrogen 2.799 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.745 N/A SER 11.A N ARG 19.A O no hydrogen 3.014 N/A SER 11.A OG GLU 91.A OE1 no hydrogen 2.462 N/A SER 11.A OG GLU 91.A OE2 no hydrogen 3.379 N/A PHE 12.A N ILE 90.A O no hydrogen 2.712 N/A ALA 13.A N TRP 17.A O no hydrogen 3.217 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 2.912 N/A ARG 19.A N SER 11.A O no hydrogen 3.195 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.674 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 3.380 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.822 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.745 N/A ASP 21.A N MET 9.A O no hydrogen 3.011 N/A SER 22.A N TRP 34.A O no hydrogen 2.872 N/A VAL 23.A N LEU 7.A O no hydrogen 2.913 N/A VAL 24.A N HIS 32.A O no hydrogen 3.215 N/A TRP 25.A N ARG 5.A O no hydrogen 2.926 N/A LEU 26.A N LEU 29.A O no hydrogen 2.753 N/A GLY 27.A N THR 3.A O no hydrogen 2.997 N/A LEU 29.A N LEU 26.A O no hydrogen 2.981 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.082 N/A THR 31.A N VAL 24.A O no hydrogen 2.815 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.364 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.980 N/A HIS 32.A N VAL 24.A O no hydrogen 3.483 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.980 N/A ARG 33.A N SER 42.A O no hydrogen 2.945 N/A TRP 34.A N SER 22.A O no hydrogen 2.955 N/A TRP 34.A NE1 SER 38.A O no hydrogen 2.979 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 2.600 N/A ASN 36.A N ASP 21.A OD2 no hydrogen 3.127 N/A SER 38.A N SER 35.A O no hydrogen 2.807 N/A SER 38.A OG THR 40.A O no hydrogen 2.779 N/A SER 42.A N ARG 33.A O no hydrogen 2.869 N/A THR 44.A N THR 31.A O no hydrogen 3.125 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.624 N/A LYS 45.A N SER 48.A OG no hydrogen 3.109 N/A LYS 45.A NZ GLN 30.A O no hydrogen 3.260 N/A LYS 45.A NZ GLU 237.A OE1 no hydrogen 2.987 N/A LYS 45.A NZ GLU 237.A OE2 no hydrogen 2.970 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 3.113 N/A SER 48.A N LYS 45.A O no hydrogen 3.336 N/A SER 48.A OG THR 31.A O no hydrogen 2.699 N/A SER 48.A OG LYS 45.A O no hydrogen 2.978 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.676 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.411 N/A GLY 50.A N TRP 47.A O no hydrogen 3.101 N/A LEU 52.A N GLN 49.A O no hydrogen 3.202 N/A SER 53.A N GLN 56.A OE1 no hydrogen 2.723 N/A SER 53.A OG GLN 56.A OE1 no hydrogen 2.994 N/A GLN 56.A N SER 53.A OG no hydrogen 3.254 N/A TRP 57.A N SER 53.A O no hydrogen 2.885 N/A GLU 58.A N ASN 54.A O no hydrogen 3.132 N/A LYS 59.A N GLN 55.A O no hydrogen 2.939 N/A LEU 60.A N GLN 56.A O no hydrogen 3.094 N/A GLN 61.A N TRP 57.A O no hydrogen 2.634 N/A GLN 61.A NE2 ILE 41.A O no hydrogen 3.661 N/A HIS 62.A N GLU 58.A O no hydrogen 2.651 N/A MET 63.A N LYS 59.A O no hydrogen 3.351 N/A PHE 64.A N LEU 60.A O no hydrogen 3.314 N/A GLN 65.A N GLN 61.A O no hydrogen 2.811 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 3.013 N/A VAL 66.A N HIS 62.A O no hydrogen 3.079 N/A TYR 67.A N MET 63.A O no hydrogen 3.023 N/A TYR 67.A OH GLN 8.A OE1 no hydrogen 2.838 N/A ARG 68.A N PHE 64.A O no hydrogen 2.891 N/A ARG 68.A NH1 SER 35.A O no hydrogen 3.137 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.568 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.714 N/A SER 70.A N VAL 66.A O no hydrogen 3.218 N/A SER 70.A OG VAL 66.A O no hydrogen 2.873 N/A PHE 71.A N TYR 67.A O no hydrogen 2.875 N/A THR 72.A N ARG 68.A O no hydrogen 3.231 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.782 N/A ARG 73.A N VAL 69.A O no hydrogen 3.265 N/A ASP 74.A N SER 70.A O no hydrogen 3.026 N/A ILE 75.A N PHE 71.A O no hydrogen 2.911 N/A GLN 76.A N THR 72.A O no hydrogen 3.285 N/A GLU 77.A N ARG 73.A O no hydrogen 2.989 N/A LEU 78.A N ASP 74.A O no hydrogen 2.993 N/A VAL 79.A N ILE 75.A O no hydrogen 2.918 N/A LYS 80.A N GLN 76.A O no hydrogen 2.986 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 2.755 N/A MET 81.A N GLU 77.A O no hydrogen 2.850 N/A MET 82.A N LEU 78.A O no hydrogen 2.979 N/A GLU 86.A N MET 82.A O no hydrogen 3.506 N/A ILE 90.A N PHE 12.A O no hydrogen 2.604 N/A GLU 91.A N GLN 115.A OE1 no hydrogen 2.704 N/A ILE 92.A N SER 10.A O no hydrogen 2.903 N/A GLN 93.A N ALA 113.A O no hydrogen 2.946 N/A LEU 94.A N GLN 8.A O no hydrogen 3.074 N/A SER 95.A N HIS 111.A O no hydrogen 2.859 N/A ALA 96.A N CYS 6.A O no hydrogen 2.997 N/A GLY 97.A N PHE 109.A O no hydrogen 3.016 N/A CYS 98.A N PHE 4.A O no hydrogen 3.152 N/A CYS 98.A SG SER 108.A OG no hydrogen 3.272 N/A GLU 99.A N GLU 107.A O no hydrogen 2.798 N/A MET 100.A N TYR 2.A O no hydrogen 2.752 N/A TYR 101.A N ALA 105.A O no hydrogen 2.868 N/A GLU 107.A N GLU 99.A O no hydrogen 3.057 N/A SER 108.A OG LEU 158.A O no hydrogen 2.802 N/A PHE 109.A N GLY 97.A O no hydrogen 3.035 N/A HIS 111.A N SER 95.A O no hydrogen 2.771 N/A VAL 112.A N VAL 120.A O no hydrogen 2.675 N/A ALA 113.A N GLN 93.A O no hydrogen 2.710 N/A PHE 114.A N LYS 117.A O no hydrogen 2.825 N/A GLN 115.A N GLU 91.A O no hydrogen 2.813 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 2.734 N/A LYS 117.A N PHE 114.A O no hydrogen 2.967 N/A VAL 119.A N VAL 112.A O no hydrogen 2.927 N/A VAL 120.A N VAL 112.A O no hydrogen 3.256 N/A ARG 121.A N GLN 128.A O no hydrogen 2.902 N/A PHE 122.A N LEU 110.A O no hydrogen 3.118 N/A TRP 123.A N SER 126.A O no hydrogen 2.809 N/A SER 126.A N TRP 123.A O no hydrogen 3.314 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.852 N/A GLN 128.A N ARG 121.A O no hydrogen 2.752 N/A THR 129.A OG1 ASP 138.A OD1 no hydrogen 3.056 N/A VAL 130.A N VAL 119.A O no hydrogen 2.903 N/A ALA 133.A N VAL 130.A O no hydrogen 3.021 N/A LEU 137.A N PRO 134.A O no hydrogen 3.328 N/A ASP 138.A N SER 135.A O no hydrogen 3.337 N/A ILE 141.A N LEU 137.A O no hydrogen 3.120 N/A LYS 142.A N ASP 138.A O no hydrogen 2.753 N/A VAL 143.A N LEU 139.A O no hydrogen 2.882 N/A LEU 144.A N PRO 140.A O no hydrogen 2.853 N/A ASN 145.A N ILE 141.A O no hydrogen 2.778 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 3.003 N/A ALA 146.A N LYS 142.A O no hydrogen 3.240 N/A ASP 147.A N LEU 144.A O no hydrogen 3.252 N/A THR 150.A N ASP 147.A OD1 no hydrogen 2.817 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 3.102 N/A SER 151.A N ASP 147.A O no hydrogen 3.263 N/A SER 151.A OG THR 125.A O no hydrogen 2.485 N/A ALA 152.A N GLN 148.A O no hydrogen 2.872 N/A THR 153.A N GLY 149.A O no hydrogen 2.940 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.103 N/A VAL 154.A N THR 150.A O no hydrogen 2.961 N/A GLN 155.A N SER 151.A O no hydrogen 2.969 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.505 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 3.106 N/A MET 156.A N ALA 152.A O no hydrogen 3.176 N/A LEU 157.A N THR 153.A O no hydrogen 3.141 N/A LEU 158.A N VAL 154.A O no hydrogen 2.889 N/A ASN 159.A N GLN 155.A O no hydrogen 2.756 N/A ASP 160.A N MET 156.A O no hydrogen 3.165 N/A THR 161.A N MET 156.A O no hydrogen 2.849 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.190 N/A CYS 162.A N LEU 157.A O no hydrogen 2.798 N/A LEU 164.A N ASP 160.A O no hydrogen 3.150 N/A PHE 165.A N THR 161.A O no hydrogen 2.798 N/A VAL 166.A N CYS 162.A O no hydrogen 3.053 N/A ARG 167.A NH2 ASN 104.A O no hydrogen 3.469 N/A GLY 168.A N LEU 164.A O no hydrogen 3.394 N/A LEU 169.A N PHE 165.A O no hydrogen 3.011 N/A LEU 170.A N VAL 166.A O no hydrogen 2.855 N/A GLU 171.A N ARG 167.A O no hydrogen 3.310 N/A ALA 172.A N GLY 168.A O no hydrogen 2.990 N/A GLY 173.A N LEU 169.A O no hydrogen 2.932 N/A LYS 174.A N GLU 171.A O no hydrogen 3.154 N/A LYS 174.A NZ GLU 178.A OE1 no hydrogen 3.270 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 2.805 N/A LEU 177.A N GLY 173.A O no hydrogen 2.933 N/A GLU 178.A N LYS 174.A O no hydrogen 2.902 N/A GLU 178.A N SER 175.A O no hydrogen 3.245 N/A LYS 179.A N ASP 176.A O no hydrogen 3.479 N/A GLN 180.A NE2 SER 262.A OG no hydrogen 2.796 N/A GLU 181.A N TYR 208.A O no hydrogen 2.827 N/A VAL 184.A N SER 205.A O no hydrogen 2.821 N/A TRP 186.A N HIS 203.A O no hydrogen 2.997 N/A SER 188.A N VAL 201.A O no hydrogen 2.891 N/A VAL 190.A N GLN 199.A O no hydrogen 2.967 N/A SER 192.A N HIS 197.A O no hydrogen 3.019 N/A SER 192.A OG ASP 246.A OD1 no hydrogen 3.158 N/A ALA 194.A N SER 192.A OG no hydrogen 3.106 N/A HIS 197.A ND1 ASP 246.A OD2 no hydrogen 2.914 N/A ARG 198.A N VAL 247.A O no hydrogen 2.774 N/A GLN 199.A N VAL 190.A O no hydrogen 2.832 N/A LEU 200.A N LEU 245.A O no hydrogen 2.886 N/A VAL 201.A N SER 188.A O no hydrogen 2.818 N/A CYS 202.A N ALA 243.A O no hydrogen 3.025 N/A HIS 203.A N TRP 186.A O no hydrogen 2.840 N/A HIS 203.A ND1 TRP 186.A O no hydrogen 2.901 N/A VAL 204.A N LEU 241.A O no hydrogen 2.761 N/A SER 205.A N VAL 184.A O no hydrogen 3.016 N/A GLY 206.A N TRP 239.A O no hydrogen 2.956 N/A TYR 208.A N GLU 181.A O no hydrogen 2.923 N/A TYR 208.A OH ASP 28.A OD1 no hydrogen 2.930 N/A TRP 213.A N LYS 260.A O no hydrogen 2.996 N/A MET 215.A N ARG 258.A O no hydrogen 2.977 N/A TRP 216.A NE1 ALA 243.A O no hydrogen 3.017 N/A MET 217.A N ALA 256.A O no hydrogen 2.762 N/A ARG 218.A N GLN 221.A O no hydrogen 3.136 N/A ARG 218.A NH2 GLU 251.A O no hydrogen 2.636 N/A ARG 218.A NH2 ALA 253.A O no hydrogen 3.107 N/A GLN 223.A N TRP 216.A O no hydrogen 2.854 N/A THR 226.A N GLN 223.A O no hydrogen 3.199 N/A THR 226.A OG1 GLN 223.A O no hydrogen 2.704 N/A HIS 227.A N THR 244.A O no hydrogen 3.003 N/A ARG 228.A NH1 VAL 212.A O no hydrogen 2.862 N/A GLY 229.A N GLN 242.A O no hydrogen 2.913 N/A LEU 232.A N TYR 240.A O no hydrogen 2.966 N/A ASN 234.A N THR 238.A O no hydrogen 2.779 N/A ASN 234.A ND2 THR 238.A OG1 no hydrogen 3.030 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.488 N/A TRP 239.A N PHE 207.A O no hydrogen 2.928 N/A TYR 240.A N LEU 232.A O no hydrogen 2.820 N/A TYR 240.A OH GLN 242.A OE1 no hydrogen 3.272 N/A LEU 241.A N VAL 204.A O no hydrogen 2.758 N/A ALA 243.A N CYS 202.A O no hydrogen 3.089 N/A THR 244.A N HIS 227.A O no hydrogen 2.799 N/A LEU 245.A N LEU 200.A O no hydrogen 3.115 N/A VAL 247.A N ARG 198.A O no hydrogen 2.825 N/A ALA 249.A N GLY 196.A O no hydrogen 3.006 N/A GLY 250.A N GLU 252.A OE1 no hydrogen 2.700 N/A GLU 251.A N GLU 248.A O no hydrogen 2.968 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.564 N/A LEU 255.A N GLU 252.A O no hydrogen 3.141 N/A ALA 256.A N MET 217.A O no hydrogen 2.925 N/A CYS 257.A N LEU 271.A O no hydrogen 2.597 N/A ARG 258.A N MET 215.A O no hydrogen 2.771 N/A ARG 258.A NE ASP 268.A OD2 no hydrogen 3.045 N/A ARG 258.A NH2 ASP 268.A OD2 no hydrogen 2.615 N/A VAL 259.A N ILE 269.A O no hydrogen 2.744 N/A LYS 260.A N TRP 213.A O no hydrogen 2.765 N/A LYS 260.A NZ ASP 268.A OD2 no hydrogen 3.458 N/A HIS 261.A NE2 PRO 209.A O no hydrogen 2.852 N/A SER 263.A N HIS 261.A ND1 no hydrogen 3.011 N/A SER 263.A OG GLU 181.A O no hydrogen 3.236 N/A SER 263.A OG HIS 261.A ND1 no hydrogen 2.692 N/A LEU 264.A N HIS 261.A O no hydrogen 3.438 N/A GLN 267.A N LEU 264.A O no hydrogen 3.022 N/A ILE 269.A N VAL 259.A O no hydrogen 3.009 N/A LEU 271.A N CYS 257.A O no hydrogen 2.603 N/A TRP 273.A N LEU 255.A O no hydrogen 2.725 N/A SER 275.A N TYR 272.A O no hydrogen 3.233 N/A SER 275.A OG TYR 272.A O no hydrogen 3.314 N/A HIS 278.A N SER 275.A OG no hydrogen 2.954 N/A HIS 278.A ND1 TRP 273.A O no hydrogen 2.050 N/A ILE 279.A N SER 275.A O no hydrogen 2.992 N/A LEU 280.A N LEU 276.A O no hydrogen 3.218 N/A ASP 281.A N HIS 277.A O no hydrogen 2.717 N/A ALA 282.A N HIS 278.A O no hydrogen 2.912 N/A GLN 283.A N ILE 279.A O no hydrogen 3.343 N/A LYS 284.A N ASP 281.A O no hydrogen 3.203 N/A MET 285.A N ALA 282.A O no hydrogen 3.089 N/A HIS 289.A ND1 TRP 287.A O no hydrogen 2.862 N/A