Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ctu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 25.A O no hydrogen 2.921 N/A ARG 4.A N HIS 2.A ND1 no hydrogen 3.113 N/A ARG 4.A NH1 LEU 249.A O no hydrogen 2.966 N/A ARG 4.A NH2 LEU 249.A O no hydrogen 3.139 N/A PHE 5.A N HIS 2.A O no hydrogen 2.803 N/A GLN 6.A N PRO 3.A O no hydrogen 2.981 N/A PHE 9.A N PHE 5.A O no hydrogen 2.809 N/A ALA 10.A N GLN 6.A O no hydrogen 3.199 N/A GLN 11.A N ALA 8.A O no hydrogen 2.765 N/A LEU 12.A N PHE 9.A O no hydrogen 3.135 N/A ASN 15.A ND2 ALA 44.A O no hydrogen 3.252 N/A GLN 17.A N ALA 13.A O no hydrogen 2.658 N/A GLN 17.A NE2 LEU 12.A O no hydrogen 3.103 N/A SER 18.A N ASP 14.A O no hydrogen 3.071 N/A SER 18.A OG ASP 14.A O no hydrogen 3.313 N/A ALA 19.A N ASN 15.A O no hydrogen 3.269 N/A LEU 20.A N LEU 16.A O no hydrogen 2.910 N/A GLU 21.A N GLN 17.A O no hydrogen 2.771 N/A ILE 23.A N LEU 20.A O no hydrogen 2.539 N/A LEU 24.A N LEU 20.A O no hydrogen 2.987 N/A TYR 28.A N ASP 26.A OD1 no hydrogen 2.894 N/A PHE 29.A N ASP 26.A O no hydrogen 2.960 N/A LEU 33.A N TRP 84.A O no hydrogen 2.866 N/A THR 34.A N GLN 37.A OE1 no hydrogen 2.790 N/A GLN 37.A N THR 34.A OG1 no hydrogen 3.258 N/A VAL 38.A N THR 34.A O no hydrogen 3.018 N/A SER 39.A N GLY 35.A O no hydrogen 2.750 N/A SER 39.A OG GLY 35.A O no hydrogen 3.163 N/A SER 40.A N GLU 36.A O no hydrogen 3.003 N/A SER 40.A OG GLU 36.A O no hydrogen 2.699 N/A LEU 41.A N GLN 37.A O no hydrogen 2.876 N/A LYS 42.A N VAL 38.A O no hydrogen 2.821 N/A SER 43.A N SER 39.A O no hydrogen 3.090 N/A SER 43.A N SER 40.A O no hydrogen 3.146 N/A SER 43.A OG SER 39.A O no hydrogen 3.460 N/A ALA 44.A N SER 40.A O no hydrogen 3.059 N/A THR 45.A N LEU 41.A O no hydrogen 3.180 N/A THR 45.A OG1 LEU 41.A O no hydrogen 2.521 N/A LEU 47.A N THR 45.A OG1 no hydrogen 3.292 N/A ALA 51.A N ASP 48.A OD1 no hydrogen 2.885 N/A LEU 52.A N ASP 48.A O no hydrogen 2.673 N/A ALA 53.A N GLU 49.A O no hydrogen 2.630 N/A PHE 54.A N ASP 50.A O no hydrogen 3.060 N/A ALA 55.A N ALA 51.A O no hydrogen 2.896 N/A LEU 56.A N LEU 52.A O no hydrogen 2.892 N/A LEU 56.A N ALA 53.A O no hydrogen 2.948 N/A LEU 57.A N ALA 53.A O no hydrogen 3.138 N/A LEU 59.A N LEU 56.A O no hydrogen 2.765 N/A ALA 60.A N LEU 56.A O no hydrogen 3.315 N/A ALA 61.A N LEU 57.A O no hydrogen 2.718 N/A ALA 62.A N LEU 59.A O no hydrogen 3.072 N/A CYS 63.A N ALA 60.A O no hydrogen 3.166 N/A CYS 63.A SG LEU 59.A O no hydrogen 3.704 N/A ALA 64.A N ALA 61.A O no hydrogen 3.176 N/A ARG 65.A N ASN 89.A O no hydrogen 3.030 N/A ARG 65.A NH1 ASP 253.A OD1 no hydrogen 3.295 N/A LEU 68.A N GLU 91.A OE1 no hydrogen 2.896 N/A SER 69.A N GLU 91.A OE1 no hydrogen 2.693 N/A SER 69.A OG GLU 91.A OE1 no hydrogen 2.735 N/A SER 69.A OG GLU 91.A OE2 no hydrogen 2.375 N/A ASN 70.A N THR 66.A O no hydrogen 2.922 N/A PHE 71.A N SER 69.A OG no hydrogen 3.260 N/A ASN 72.A ND2 THR 66.A OG1 no hydrogen 2.806 N/A VAL 73.A N ASN 89.A OD1 no hydrogen 3.052 N/A GLY 74.A N ASN 125.A OD1 no hydrogen 2.810 N/A ALA 75.A N GLY 87.A O no hydrogen 2.977 N/A ILE 76.A N THR 123.A O no hydrogen 2.890 N/A ALA 77.A N TYR 85.A O no hydrogen 2.873 N/A ARG 78.A N ALA 121.A O no hydrogen 2.914 N/A ARG 78.A NH1 ASP 50.A OD1 no hydrogen 3.183 N/A ARG 78.A NH2 ASP 50.A OD1 no hydrogen 2.581 N/A GLY 79.A N THR 83.A O no hydrogen 2.576 N/A VAL 80.A N ALA 118.A O no hydrogen 3.048 N/A SER 81.A N GLU 116.A OE2 no hydrogen 2.779 N/A SER 81.A OG THR 83.A OG1 no hydrogen 2.865 N/A SER 81.A OG GLU 116.A OE1 no hydrogen 3.079 N/A GLY 82.A N GLY 79.A O no hydrogen 3.171 N/A THR 83.A N SER 81.A OG no hydrogen 2.623 N/A THR 83.A OG1 SER 81.A OG no hydrogen 2.865 N/A TRP 84.A N LEU 33.A O no hydrogen 2.828 N/A TYR 85.A N ALA 77.A O no hydrogen 2.767 N/A TYR 85.A OH GLU 116.A OE1 no hydrogen 2.544 N/A PHE 86.A N ALA 31.A O no hydrogen 2.992 N/A ALA 88.A N SER 106.A OG no hydrogen 3.223 N/A ASN 89.A N VAL 73.A O no hydrogen 3.329 N/A ASN 89.A ND2 PHE 71.A O no hydrogen 2.890 N/A MET 90.A N VAL 101.A O no hydrogen 2.942 N/A GLU 91.A N ARG 65.A O no hydrogen 2.775 N/A ALA 95.A N PHE 92.A O no hydrogen 3.141 N/A GLN 99.A N THR 96.A O no hydrogen 2.827 N/A THR 100.A N MET 97.A O no hydrogen 3.165 N/A THR 100.A OG1 MET 97.A O no hydrogen 2.833 N/A VAL 101.A N MET 90.A O no hydrogen 2.920 N/A HIS 102.A N GLN 105.A OE1 no hydrogen 2.826 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.552 N/A SER 106.A N HIS 102.A O no hydrogen 2.991 N/A SER 106.A OG ALA 88.A O no hydrogen 3.125 N/A ALA 107.A N ALA 103.A O no hydrogen 3.005 N/A ILE 108.A N GLU 104.A O no hydrogen 3.113 N/A SER 109.A N GLN 105.A O no hydrogen 2.819 N/A SER 109.A OG GLN 105.A O no hydrogen 2.534 N/A SER 109.A OG SER 106.A O no hydrogen 3.541 N/A HIS 110.A N SER 106.A O no hydrogen 2.804 N/A HIS 110.A ND1 PHE 86.A O no hydrogen 2.736 N/A ALA 111.A N ALA 107.A O no hydrogen 2.882 N/A TRP 112.A N ILE 108.A O no hydrogen 2.845 N/A LEU 113.A N SER 109.A O no hydrogen 2.633 N/A SER 114.A N HIS 110.A O no hydrogen 2.994 N/A SER 114.A OG HIS 110.A O no hydrogen 2.753 N/A GLY 115.A N TRP 112.A O no hydrogen 3.050 N/A GLU 116.A N ALA 111.A O no hydrogen 3.097 N/A ALA 120.A N ARG 78.A O no hydrogen 2.994 N/A ILE 122.A N ARG 146.A O no hydrogen 2.940 N/A THR 123.A N ILE 76.A O no hydrogen 2.985 N/A VAL 124.A N HIS 148.A O no hydrogen 2.908 N/A ASN 125.A N GLY 74.A O no hydrogen 3.125 N/A ASN 125.A ND2 ASN 72.A O no hydrogen 3.472 N/A ARG 133.A N CYS 129.A O no hydrogen 2.941 N/A ARG 133.A NE TYR 160.A O no hydrogen 3.129 N/A ARG 133.A NH1 PRO 128.A O no hydrogen 2.675 N/A ARG 133.A NH2 TYR 160.A O no hydrogen 2.828 N/A GLN 134.A N GLY 130.A O no hydrogen 2.996 N/A GLN 134.A NE2 PHE 165.A O no hydrogen 2.659 N/A PHE 135.A N HIS 131.A O no hydrogen 2.789 N/A MET 136.A N CYS 132.A O no hydrogen 2.781 N/A ASN 137.A N ARG 133.A O no hydrogen 3.302 N/A ASN 137.A ND2 PHE 165.A O no hydrogen 3.096 N/A GLU 138.A N PHE 135.A O no hydrogen 2.999 N/A LEU 139.A N MET 136.A O no hydrogen 3.168 N/A ASN 140.A N LEU 176.A O no hydrogen 3.061 N/A ASN 140.A ND2 LYS 117.A O no hydrogen 3.205 N/A ASN 140.A ND2 ASP 178.A OD1 no hydrogen 3.287 N/A GLY 142.A N LEU 139.A O no hydrogen 2.945 N/A LEU 145.A N GLY 142.A O no hydrogen 3.484 N/A ARG 146.A N ALA 120.A O no hydrogen 3.454 N/A ILE 147.A N HIS 155.A O no hydrogen 2.711 N/A HIS 148.A N ILE 122.A O no hydrogen 2.888 N/A ARG 152.A N LEU 149.A O no hydrogen 3.128 N/A ARG 152.A NE PRO 150.A O no hydrogen 3.208 N/A ARG 152.A NH2 PRO 150.A O no hydrogen 3.300 N/A HIS 155.A N ILE 147.A O no hydrogen 3.270 N/A ARG 158.A N LEU 143.A O no hydrogen 2.876 N/A ARG 158.A NH2 ASP 144.A OD1 no hydrogen 3.126 N/A ASP 159.A N ALA 156.A O no hydrogen 3.185 N/A TYR 160.A N LEU 157.A O no hydrogen 2.616 N/A LEU 161.A N LEU 157.A O no hydrogen 2.903 N/A GLY 166.A N ASP 169.A OD2 no hydrogen 2.629 N/A ASP 169.A N GLY 166.A O no hydrogen 2.824 N/A LEU 170.A N PRO 167.A O no hydrogen 2.975 N/A GLU 171.A N LYS 168.A O no hydrogen 2.839 N/A ILE 172.A N PRO 167.A O no hydrogen 2.917 N/A LEU 175.A N ASP 178.A OD2 no hydrogen 3.041 N/A LEU 176.A N GLU 138.A O no hydrogen 3.011 N/A ASP 178.A N LEU 175.A O no hydrogen 3.022 N/A GLN 180.A NE2 HIS 203.A ND1 no hydrogen 3.207 N/A HIS 182.A N ASN 200.A O no hydrogen 2.949 N/A HIS 182.A NE2 SER 202.A O no hydrogen 2.321 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 3.288 N/A TYR 184.A N ASN 200.A OD1 no hydrogen 2.768 N/A SER 192.A N ASP 189.A OD1 no hydrogen 3.390 N/A GLN 193.A N ASP 189.A O no hydrogen 2.909 N/A ALA 194.A N ALA 190.A O no hydrogen 2.745 N/A ALA 195.A N LEU 191.A O no hydrogen 2.989 N/A ILE 196.A N SER 192.A O no hydrogen 3.171 N/A ALA 197.A N GLN 193.A O no hydrogen 2.814 N/A ALA 198.A N ALA 194.A O no hydrogen 2.954 N/A ALA 199.A N ALA 195.A O no hydrogen 2.816 N/A ASN 200.A N ILE 196.A O no hydrogen 2.958 N/A ASN 200.A N ALA 197.A O no hydrogen 2.847 N/A ASN 200.A ND2 TYR 184.A O no hydrogen 3.072 N/A ARG 201.A N ALA 198.A O no hydrogen 2.882 N/A ARG 201.A NH2 TRP 112.A O no hydrogen 2.639 N/A SER 202.A N ALA 199.A O no hydrogen 3.230 N/A SER 202.A OG ALA 199.A O no hydrogen 2.634 N/A HIS 203.A N TYR 227.A O no hydrogen 2.971 N/A HIS 203.A NE2 GLU 138.A OE2 no hydrogen 2.985 N/A TYR 206.A N GLU 229.A OE1 no hydrogen 3.020 N/A TYR 206.A OH GLU 138.A OE1 no hydrogen 3.424 N/A TYR 206.A OH GLU 138.A OE2 no hydrogen 2.563 N/A SER 207.A N GLU 229.A OE1 no hydrogen 2.752 N/A SER 207.A OG SER 209.A OG no hydrogen 2.946 N/A SER 207.A OG GLU 229.A OE2 no hydrogen 2.434 N/A LYS 208.A N MET 204.A O no hydrogen 2.670 N/A SER 209.A N SER 207.A OG no hydrogen 2.965 N/A SER 209.A OG SER 207.A OG no hydrogen 2.946 N/A GLY 212.A N ALA 263.A O no hydrogen 3.110 N/A VAL 213.A N GLY 225.A O no hydrogen 3.123 N/A ALA 214.A N VAL 261.A O no hydrogen 3.105 N/A LEU 215.A N PHE 223.A O no hydrogen 2.713 N/A GLU 216.A N ARG 259.A O no hydrogen 2.914 N/A CYS 217.A N ARG 221.A O no hydrogen 2.630 N/A LYS 218.A N ASP 256.A O no hydrogen 2.844 N/A LYS 218.A NZ PRO 255.A O no hydrogen 3.187 N/A GLY 220.A N CYS 217.A O no hydrogen 2.533 N/A ARG 221.A N ASP 219.A OD1 no hydrogen 2.712 N/A ARG 221.A NE TYR 252.A OH no hydrogen 3.552 N/A PHE 223.A N LEU 215.A O no hydrogen 2.944 N/A GLY 225.A N VAL 213.A O no hydrogen 2.619 N/A SER 226.A OG ALA 198.A O no hydrogen 2.620 N/A TYR 227.A N SER 211.A O no hydrogen 3.225 N/A TYR 227.A OH GLU 229.A OE2 no hydrogen 2.519 N/A ALA 228.A N LEU 237.A O no hydrogen 2.932 N/A GLU 229.A N HIS 203.A O no hydrogen 2.725 N/A ASN 230.A N THR 236.A OG1 no hydrogen 2.888 N/A ASN 230.A ND2 GLN 134.A O no hydrogen 3.193 N/A ALA 231.A N GLU 138.A OE1 no hydrogen 2.764 N/A ALA 232.A N ASN 230.A OD1 no hydrogen 2.795 N/A PHE 233.A N ASN 230.A O no hydrogen 2.609 N/A ASN 234.A N ALA 232.A O no hydrogen 2.570 N/A THR 236.A N PHE 233.A O no hydrogen 2.956 N/A THR 236.A OG1 PHE 233.A O no hydrogen 2.781 N/A LEU 237.A N ALA 228.A O no hydrogen 2.842 N/A GLN 241.A N GLN 241.A OE1 no hydrogen 2.837 N/A GLN 241.A NE2 GLN 99.A O no hydrogen 2.598 N/A LEU 244.A N LEU 240.A O no hydrogen 3.109 N/A ILE 245.A N GLN 241.A O no hydrogen 2.928 N/A ILE 245.A N GLY 242.A O no hydrogen 2.915 N/A LEU 246.A N GLY 242.A O no hydrogen 3.227 N/A LEU 247.A N ALA 243.A O no hydrogen 2.804 N/A ASN 248.A N LEU 244.A O no hydrogen 2.861 N/A LEU 249.A N ILE 245.A O no hydrogen 2.816 N/A LYS 250.A N LEU 246.A O no hydrogen 2.913 N/A LYS 250.A NZ PRO 30.A O no hydrogen 2.917 N/A LYS 250.A NZ HIS 110.A NE2 no hydrogen 3.131 N/A GLY 251.A N ASN 248.A O no hydrogen 3.034 N/A TYR 252.A N LEU 247.A O no hydrogen 3.164 N/A TYR 252.A OH ASP 219.A OD2 no hydrogen 3.136 N/A ASP 253.A N ASP 256.A OD2 no hydrogen 3.239 N/A TYR 254.A N ASP 253.A OD1 no hydrogen 2.285 N/A ASP 256.A N ASP 253.A O no hydrogen 2.800 N/A ILE 257.A N TYR 254.A O no hydrogen 2.651 N/A GLN 258.A N GLU 216.A O no hydrogen 2.717 N/A GLN 258.A NE2 GLU 216.A OE2 no hydrogen 2.955 N/A ARG 259.A N GLU 216.A O no hydrogen 3.426 N/A ARG 259.A NH1 ASP 289.A OD2 no hydrogen 2.556 N/A ARG 259.A NH2 ASP 189.A OD2 no hydrogen 2.887 N/A ALA 260.A N SER 287.A O no hydrogen 3.133 N/A VAL 261.A N ALA 214.A O no hydrogen 3.073 N/A LEU 262.A N ASP 289.A O no hydrogen 2.658 N/A ALA 263.A N GLY 212.A O no hydrogen 2.709 N/A GLU 264.A N VAL 291.A O no hydrogen 3.153 N/A LYS 265.A NZ ASP 267.A OD1 no hydrogen 3.567 N/A LYS 265.A NZ ASP 267.A OD2 no hydrogen 3.347 N/A GLN 272.A N GLU 264.A OE1 no hydrogen 2.875 N/A TRP 273.A N GLU 264.A OE2 no hydrogen 3.077 N/A THR 276.A N GLN 272.A O no hydrogen 2.847 N/A THR 276.A OG1 GLN 272.A O no hydrogen 2.598 N/A SER 277.A N TRP 273.A O no hydrogen 2.932 N/A SER 277.A OG TRP 273.A O no hydrogen 2.757 N/A ALA 278.A N ASP 274.A O no hydrogen 2.963 N/A THR 279.A N ALA 275.A O no hydrogen 3.113 N/A THR 279.A OG1 ALA 275.A O no hydrogen 2.616 N/A LEU 280.A N THR 276.A O no hydrogen 2.878 N/A LYS 281.A N SER 277.A O no hydrogen 2.616 N/A ALA 282.A N ALA 278.A O no hydrogen 2.806 N/A LEU 283.A N THR 279.A O no hydrogen 2.984 N/A LEU 283.A N LEU 280.A O no hydrogen 3.165 N/A GLY 284.A N LYS 281.A O no hydrogen 2.916 N/A CYS 285.A N LEU 280.A O no hydrogen 2.875 N/A CYS 285.A SG GLN 258.A O no hydrogen 4.043 N/A CYS 285.A SG SER 287.A OG no hydrogen 3.358 N/A SER 287.A OG GLN 258.A O no hydrogen 3.182 N/A ASP 289.A N ALA 260.A O no hydrogen 2.943 N/A VAL 291.A N LEU 262.A O no hydrogen 2.819 N/A LEU 293.A N GLU 264.A O no hydrogen 2.838 N/A