Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ctt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 25.A O no hydrogen 2.883 N/A ARG 4.A N HIS 2.A ND1 no hydrogen 3.076 N/A ARG 4.A NH1 ASN 248.A O no hydrogen 2.817 N/A ARG 4.A NH2 LEU 249.A O no hydrogen 2.799 N/A PHE 5.A N HIS 2.A O no hydrogen 2.740 N/A GLN 6.A N PRO 3.A O no hydrogen 3.036 N/A PHE 9.A N PHE 5.A O no hydrogen 2.890 N/A ALA 10.A N GLN 6.A O no hydrogen 3.219 N/A GLN 11.A N ALA 8.A O no hydrogen 2.710 N/A LEU 12.A N PHE 9.A O no hydrogen 2.910 N/A ASN 15.A ND2 ALA 44.A O no hydrogen 3.428 N/A LEU 16.A N ALA 13.A O no hydrogen 2.909 N/A GLN 17.A N ALA 13.A O no hydrogen 2.773 N/A GLN 17.A NE2 PHE 9.A O no hydrogen 3.015 N/A GLN 17.A NE2 LEU 12.A O no hydrogen 3.108 N/A SER 18.A N ASP 14.A O no hydrogen 2.978 N/A SER 18.A OG ASP 14.A O no hydrogen 3.259 N/A ALA 19.A N ASN 15.A O no hydrogen 3.268 N/A LEU 20.A N LEU 16.A O no hydrogen 2.856 N/A GLU 21.A N GLN 17.A O no hydrogen 2.613 N/A ILE 23.A N LEU 20.A O no hydrogen 2.540 N/A LEU 24.A N LEU 20.A O no hydrogen 3.062 N/A TYR 28.A N ASP 26.A OD1 no hydrogen 3.020 N/A PHE 29.A N ASP 26.A O no hydrogen 2.929 N/A LEU 33.A N TRP 84.A O no hydrogen 2.873 N/A THR 34.A N GLN 37.A OE1 no hydrogen 2.629 N/A THR 34.A OG1 GLU 36.A OE1 no hydrogen 3.335 N/A GLN 37.A N THR 34.A OG1 no hydrogen 3.190 N/A VAL 38.A N THR 34.A O no hydrogen 2.935 N/A SER 39.A N GLY 35.A O no hydrogen 2.742 N/A SER 39.A OG GLY 35.A O no hydrogen 3.192 N/A SER 40.A N GLU 36.A O no hydrogen 2.846 N/A SER 40.A OG GLU 36.A O no hydrogen 2.552 N/A LEU 41.A N GLN 37.A O no hydrogen 3.010 N/A LYS 42.A N VAL 38.A O no hydrogen 2.928 N/A SER 43.A N SER 39.A O no hydrogen 3.043 N/A SER 43.A OG SER 39.A O no hydrogen 3.445 N/A ALA 44.A N SER 40.A O no hydrogen 3.091 N/A THR 45.A N LEU 41.A O no hydrogen 3.087 N/A THR 45.A OG1 LEU 41.A O no hydrogen 2.505 N/A LEU 47.A N THR 45.A OG1 no hydrogen 3.263 N/A ALA 51.A N ASP 48.A OD1 no hydrogen 2.924 N/A LEU 52.A N ASP 48.A O no hydrogen 2.706 N/A ALA 53.A N GLU 49.A O no hydrogen 2.753 N/A PHE 54.A N ASP 50.A O no hydrogen 3.146 N/A ALA 55.A N ALA 51.A O no hydrogen 3.041 N/A LEU 56.A N LEU 52.A O no hydrogen 3.007 N/A LEU 56.A N ALA 53.A O no hydrogen 3.162 N/A LEU 57.A N ALA 53.A O no hydrogen 3.214 N/A LEU 59.A N LEU 56.A O no hydrogen 2.671 N/A ALA 60.A N LEU 56.A O no hydrogen 3.313 N/A ALA 61.A N LEU 57.A O no hydrogen 2.750 N/A ALA 62.A N LEU 59.A O no hydrogen 3.056 N/A CYS 63.A N ALA 60.A O no hydrogen 3.014 N/A CYS 63.A SG LEU 59.A O no hydrogen 3.793 N/A ALA 64.A N ALA 61.A O no hydrogen 3.128 N/A ARG 65.A N ASN 89.A O no hydrogen 2.972 N/A ARG 65.A NH2 ASP 253.A OD1 no hydrogen 2.382 N/A THR 66.A OG1 ASN 72.A OD1 no hydrogen 2.827 N/A LEU 68.A N GLU 91.A OE1 no hydrogen 3.023 N/A SER 69.A N GLU 91.A OE1 no hydrogen 2.792 N/A SER 69.A OG GLU 91.A OE1 no hydrogen 2.973 N/A SER 69.A OG GLU 91.A OE2 no hydrogen 2.292 N/A ASN 70.A N THR 66.A O no hydrogen 2.855 N/A PHE 71.A N SER 69.A OG no hydrogen 3.097 N/A VAL 73.A N ASN 89.A OD1 no hydrogen 2.858 N/A GLY 74.A N ASN 125.A OD1 no hydrogen 2.902 N/A ALA 75.A N GLY 87.A O no hydrogen 2.947 N/A ILE 76.A N THR 123.A O no hydrogen 2.932 N/A ALA 77.A N TYR 85.A O no hydrogen 2.766 N/A ARG 78.A N ALA 121.A O no hydrogen 2.919 N/A ARG 78.A NH1 ASP 50.A OD1 no hydrogen 3.272 N/A ARG 78.A NH2 ASP 50.A OD1 no hydrogen 2.865 N/A ARG 78.A NH2 THR 123.A OG1 no hydrogen 3.407 N/A GLY 79.A N THR 83.A O no hydrogen 2.634 N/A VAL 80.A N ALA 118.A O no hydrogen 3.091 N/A SER 81.A N GLU 116.A OE2 no hydrogen 3.071 N/A SER 81.A OG THR 83.A OG1 no hydrogen 2.953 N/A SER 81.A OG GLU 116.A OE1 no hydrogen 2.926 N/A GLY 82.A N GLY 79.A O no hydrogen 3.086 N/A THR 83.A N SER 81.A OG no hydrogen 2.722 N/A THR 83.A OG1 SER 81.A OG no hydrogen 2.953 N/A TRP 84.A N LEU 33.A O no hydrogen 2.819 N/A TYR 85.A N ALA 77.A O no hydrogen 2.752 N/A TYR 85.A OH GLU 116.A OE1 no hydrogen 2.624 N/A PHE 86.A N ALA 31.A O no hydrogen 2.991 N/A ALA 88.A N SER 106.A OG no hydrogen 3.239 N/A ASN 89.A N VAL 73.A O no hydrogen 3.376 N/A ASN 89.A ND2 PHE 71.A O no hydrogen 2.792 N/A MET 90.A N VAL 101.A O no hydrogen 2.847 N/A GLU 91.A N ARG 65.A O no hydrogen 2.696 N/A ALA 95.A N PHE 92.A O no hydrogen 3.056 N/A GLN 99.A N THR 96.A O no hydrogen 2.901 N/A THR 100.A N MET 97.A O no hydrogen 3.159 N/A THR 100.A OG1 MET 97.A O no hydrogen 2.675 N/A VAL 101.A N MET 90.A O no hydrogen 2.921 N/A HIS 102.A N GLN 105.A OE1 no hydrogen 2.939 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.535 N/A SER 106.A N HIS 102.A O no hydrogen 2.975 N/A SER 106.A OG ALA 88.A O no hydrogen 3.049 N/A ALA 107.A N ALA 103.A O no hydrogen 3.072 N/A ILE 108.A N GLU 104.A O no hydrogen 3.102 N/A SER 109.A N GLN 105.A O no hydrogen 2.848 N/A SER 109.A OG GLN 105.A O no hydrogen 2.313 N/A HIS 110.A N SER 106.A O no hydrogen 2.725 N/A HIS 110.A ND1 PHE 86.A O no hydrogen 2.834 N/A ALA 111.A N ALA 107.A O no hydrogen 2.963 N/A TRP 112.A N ILE 108.A O no hydrogen 2.894 N/A LEU 113.A N SER 109.A O no hydrogen 2.536 N/A SER 114.A N HIS 110.A O no hydrogen 2.857 N/A SER 114.A OG HIS 110.A O no hydrogen 2.789 N/A GLY 115.A N TRP 112.A O no hydrogen 3.064 N/A GLU 116.A N ALA 111.A O no hydrogen 3.108 N/A ALA 120.A N ARG 78.A O no hydrogen 2.986 N/A ILE 122.A N ARG 146.A O no hydrogen 2.900 N/A THR 123.A N ILE 76.A O no hydrogen 3.179 N/A VAL 124.A N HIS 148.A O no hydrogen 2.942 N/A ASN 125.A N GLY 74.A O no hydrogen 3.094 N/A ASN 125.A ND2 ASN 72.A O no hydrogen 3.548 N/A CYS 129.A SG HIS 131.A ND1 no hydrogen 4.014 N/A CYS 132.A SG HIS 131.A ND1 no hydrogen 3.868 N/A ARG 133.A N CYS 129.A O no hydrogen 2.871 N/A ARG 133.A NE PRO 128.A O no hydrogen 2.716 N/A ARG 133.A NH1 TYR 160.A O no hydrogen 2.673 N/A ARG 133.A NH2 PRO 128.A O no hydrogen 2.937 N/A GLN 134.A N GLY 130.A O no hydrogen 2.989 N/A GLN 134.A NE2 PHE 165.A O no hydrogen 2.733 N/A PHE 135.A N HIS 131.A O no hydrogen 2.876 N/A MET 136.A N CYS 132.A O no hydrogen 2.828 N/A ASN 137.A N ARG 133.A O no hydrogen 3.275 N/A ASN 137.A N GLN 134.A O no hydrogen 3.084 N/A ASN 137.A ND2 PHE 165.A O no hydrogen 3.107 N/A GLU 138.A N PHE 135.A O no hydrogen 2.869 N/A LEU 139.A N MET 136.A O no hydrogen 3.191 N/A ASN 140.A N LEU 176.A O no hydrogen 2.937 N/A ASN 140.A ND2 LYS 117.A O no hydrogen 3.208 N/A ASN 140.A ND2 ASP 178.A OD1 no hydrogen 3.082 N/A GLY 142.A N LEU 139.A O no hydrogen 2.915 N/A ILE 147.A N HIS 155.A O no hydrogen 2.638 N/A HIS 148.A N ILE 122.A O no hydrogen 2.803 N/A ARG 152.A N LEU 149.A O no hydrogen 3.246 N/A ARG 152.A NH1 PRO 150.A O no hydrogen 3.071 N/A HIS 155.A N ILE 147.A O no hydrogen 3.197 N/A ARG 158.A N LEU 143.A O no hydrogen 2.831 N/A ARG 158.A NH2 ASP 144.A OD1 no hydrogen 3.387 N/A ASP 159.A N ALA 156.A O no hydrogen 3.026 N/A TYR 160.A N LEU 157.A O no hydrogen 2.623 N/A LEU 161.A N LEU 157.A O no hydrogen 2.894 N/A GLY 166.A N ASP 169.A OD2 no hydrogen 2.458 N/A LYS 168.A NZ ASN 137.A OD1 no hydrogen 3.279 N/A ASP 169.A N GLY 166.A O no hydrogen 2.789 N/A LEU 170.A N PRO 167.A O no hydrogen 2.923 N/A GLU 171.A N LYS 168.A O no hydrogen 2.614 N/A ILE 172.A N PRO 167.A O no hydrogen 2.802 N/A LEU 175.A N ASP 178.A OD2 no hydrogen 2.867 N/A LEU 176.A N GLU 138.A O no hydrogen 3.072 N/A ASP 178.A N LEU 175.A O no hydrogen 3.002 N/A GLN 180.A NE2 HIS 203.A ND1 no hydrogen 2.969 N/A HIS 182.A N ASN 200.A O no hydrogen 2.900 N/A HIS 182.A NE2 SER 202.A O no hydrogen 2.514 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 3.126 N/A TYR 184.A N ASN 200.A OD1 no hydrogen 2.775 N/A SER 192.A N ASP 189.A OD1 no hydrogen 3.103 N/A SER 192.A OG ASP 189.A OD1 no hydrogen 3.005 N/A GLN 193.A N ASP 189.A O no hydrogen 2.917 N/A ALA 194.A N ALA 190.A O no hydrogen 2.791 N/A ALA 195.A N LEU 191.A O no hydrogen 3.014 N/A ILE 196.A N SER 192.A O no hydrogen 2.968 N/A ALA 197.A N GLN 193.A O no hydrogen 2.913 N/A ALA 198.A N ALA 194.A O no hydrogen 2.844 N/A ALA 199.A N ALA 195.A O no hydrogen 3.001 N/A ASN 200.A N ILE 196.A O no hydrogen 2.982 N/A ASN 200.A N ALA 197.A O no hydrogen 2.829 N/A ASN 200.A ND2 TYR 184.A O no hydrogen 3.074 N/A ARG 201.A N ALA 198.A O no hydrogen 3.077 N/A ARG 201.A NH2 TRP 112.A O no hydrogen 2.536 N/A SER 202.A N ALA 199.A O no hydrogen 3.239 N/A SER 202.A OG ALA 199.A O no hydrogen 2.804 N/A HIS 203.A N TYR 227.A O no hydrogen 2.802 N/A HIS 203.A NE2 GLU 138.A OE2 no hydrogen 2.898 N/A TYR 206.A N GLU 229.A OE1 no hydrogen 2.933 N/A TYR 206.A OH GLU 138.A OE1 no hydrogen 3.391 N/A TYR 206.A OH GLU 138.A OE2 no hydrogen 2.526 N/A SER 207.A N GLU 229.A OE1 no hydrogen 2.780 N/A SER 207.A OG SER 209.A OG no hydrogen 3.059 N/A SER 207.A OG GLU 229.A OE2 no hydrogen 2.506 N/A LYS 208.A N MET 204.A O no hydrogen 2.686 N/A SER 209.A N SER 207.A OG no hydrogen 2.865 N/A SER 209.A OG SER 207.A O no hydrogen 3.492 N/A SER 209.A OG SER 207.A OG no hydrogen 3.059 N/A GLY 212.A N ALA 263.A O no hydrogen 3.138 N/A VAL 213.A N GLY 225.A O no hydrogen 3.028 N/A ALA 214.A N VAL 261.A O no hydrogen 2.947 N/A LEU 215.A N PHE 223.A O no hydrogen 2.653 N/A GLU 216.A N ARG 259.A O no hydrogen 2.964 N/A CYS 217.A N ARG 221.A O no hydrogen 2.737 N/A CYS 217.A SG ARG 221.A O no hydrogen 3.921 N/A LYS 218.A N ASP 256.A O no hydrogen 2.939 N/A GLY 220.A N CYS 217.A O no hydrogen 2.595 N/A ARG 221.A N ASP 219.A OD1 no hydrogen 2.687 N/A ARG 221.A NE TYR 252.A OH no hydrogen 3.473 N/A PHE 223.A N LEU 215.A O no hydrogen 2.885 N/A GLY 225.A N VAL 213.A O no hydrogen 2.656 N/A SER 226.A OG ALA 198.A O no hydrogen 2.564 N/A TYR 227.A N SER 211.A O no hydrogen 3.244 N/A TYR 227.A OH GLU 229.A OE2 no hydrogen 2.575 N/A ALA 228.A N LEU 237.A O no hydrogen 2.973 N/A GLU 229.A N HIS 203.A O no hydrogen 2.617 N/A ASN 230.A N THR 236.A OG1 no hydrogen 2.979 N/A ASN 230.A ND2 GLN 134.A O no hydrogen 3.226 N/A ALA 231.A N GLU 138.A OE1 no hydrogen 2.779 N/A ALA 232.A N ASN 230.A OD1 no hydrogen 2.838 N/A PHE 233.A N ASN 230.A O no hydrogen 2.647 N/A ASN 234.A N ALA 232.A O no hydrogen 2.660 N/A THR 236.A N PHE 233.A O no hydrogen 3.029 N/A THR 236.A OG1 PHE 233.A O no hydrogen 2.664 N/A LEU 237.A N ALA 228.A O no hydrogen 2.705 N/A GLN 241.A NE2 GLN 99.A O no hydrogen 2.816 N/A LEU 244.A N LEU 240.A O no hydrogen 2.997 N/A ILE 245.A N GLN 241.A O no hydrogen 2.827 N/A LEU 246.A N GLY 242.A O no hydrogen 3.167 N/A LEU 247.A N ALA 243.A O no hydrogen 2.788 N/A ASN 248.A N LEU 244.A O no hydrogen 2.965 N/A LEU 249.A N ILE 245.A O no hydrogen 2.777 N/A LYS 250.A N LEU 246.A O no hydrogen 2.776 N/A LYS 250.A NZ PRO 30.A O no hydrogen 2.911 N/A LYS 250.A NZ HIS 110.A NE2 no hydrogen 2.941 N/A GLY 251.A N ASN 248.A O no hydrogen 3.214 N/A TYR 252.A N LEU 247.A O no hydrogen 3.086 N/A TYR 252.A OH ASP 219.A OD2 no hydrogen 2.970 N/A ASP 253.A N ASP 256.A OD2 no hydrogen 3.134 N/A TYR 254.A N ASP 253.A OD1 no hydrogen 2.271 N/A ASP 256.A N ASP 253.A O no hydrogen 2.885 N/A ILE 257.A N TYR 254.A O no hydrogen 2.786 N/A GLN 258.A N GLU 216.A O no hydrogen 2.672 N/A ARG 259.A NH1 ASP 289.A OD2 no hydrogen 2.662 N/A ARG 259.A NH2 ASP 189.A OD2 no hydrogen 2.933 N/A ALA 260.A N SER 287.A O no hydrogen 2.812 N/A VAL 261.A N ALA 214.A O no hydrogen 3.002 N/A LEU 262.A N ASP 289.A O no hydrogen 2.719 N/A ALA 263.A N GLY 212.A O no hydrogen 2.756 N/A GLU 264.A N VAL 291.A O no hydrogen 3.037 N/A LYS 265.A NZ TYR 184.A OH no hydrogen 3.451 N/A GLN 272.A N GLU 264.A OE1 no hydrogen 2.850 N/A THR 276.A N GLN 272.A O no hydrogen 2.896 N/A THR 276.A OG1 GLN 272.A O no hydrogen 2.636 N/A SER 277.A N TRP 273.A O no hydrogen 2.967 N/A SER 277.A OG TRP 273.A O no hydrogen 2.569 N/A SER 277.A OG ASP 274.A O no hydrogen 3.332 N/A ALA 278.A N ASP 274.A O no hydrogen 2.956 N/A THR 279.A N ALA 275.A O no hydrogen 2.997 N/A THR 279.A OG1 ALA 275.A O no hydrogen 2.522 N/A LEU 280.A N THR 276.A O no hydrogen 2.865 N/A LYS 281.A N SER 277.A O no hydrogen 2.786 N/A ALA 282.A N ALA 278.A O no hydrogen 2.919 N/A LEU 283.A N THR 279.A O no hydrogen 2.944 N/A GLY 284.A N LYS 281.A O no hydrogen 2.953 N/A CYS 285.A N LEU 280.A O no hydrogen 2.854 N/A CYS 285.A SG GLN 258.A O no hydrogen 3.899 N/A CYS 285.A SG SER 287.A O no hydrogen 3.695 N/A SER 287.A OG GLN 258.A O no hydrogen 3.519 N/A ASP 289.A N ALA 260.A O no hydrogen 2.957 N/A VAL 291.A N LEU 262.A O no hydrogen 2.889 N/A LEU 293.A N GLU 264.A O no hydrogen 2.884 N/A