Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ktd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 160.A OD1 no hydrogen 2.865 N/A SER 3.A OG ASP 160.A OD1 no hydrogen 3.135 N/A SER 3.A OG ASP 160.A OD2 no hydrogen 2.673 N/A ARG 4.A NE ASP 64.A OD2 no hydrogen 2.957 N/A ARG 4.A NH1 SER 156.A OG no hydrogen 3.008 N/A ARG 4.A NH1 ASP 160.A OD2 no hydrogen 2.762 N/A VAL 6.A N SER 28.A O no hydrogen 3.031 N/A CYS 7.A N LEU 66.A O no hydrogen 2.725 N/A ILE 8.A N PHE 30.A O no hydrogen 2.908 N/A LEU 9.A N VAL 68.A O no hydrogen 2.779 N/A GLY 10.A N TYR 32.A O no hydrogen 2.887 N/A GLY 16.A N GLY 12.A O no hydrogen 2.704 N/A SER 17.A N LEU 13.A O no hydrogen 3.325 N/A SER 17.A OG LEU 13.A O no hydrogen 2.536 N/A LEU 18.A N ILE 14.A O no hydrogen 2.953 N/A LEU 19.A N GLY 15.A O no hydrogen 2.918 N/A ARG 20.A N GLY 16.A O no hydrogen 2.881 N/A ARG 20.A NE SER 128.A OG no hydrogen 2.834 N/A ARG 20.A NH1 GLU 45.A OE2 no hydrogen 3.023 N/A ARG 20.A NH2 GLU 45.A OE1 no hydrogen 3.171 N/A ARG 20.A NH2 GLU 45.A OE2 no hydrogen 3.437 N/A ASP 21.A N SER 17.A O no hydrogen 3.051 N/A LEU 22.A N LEU 18.A O no hydrogen 2.933 N/A HIS 23.A N LEU 19.A O no hydrogen 2.964 N/A ALA 24.A N ARG 20.A O no hydrogen 2.891 N/A ALA 25.A N ASP 21.A O no hydrogen 2.903 N/A ASN 26.A N HIS 23.A O no hydrogen 2.915 N/A HIS 27.A N LEU 22.A O no hydrogen 2.878 N/A PHE 30.A N VAL 6.A O no hydrogen 3.068 N/A GLY 31.A N ASP 48.A O no hydrogen 3.060 N/A TYR 32.A N ILE 8.A O no hydrogen 2.860 N/A ASN 33.A N SER 50.A O no hydrogen 2.985 N/A SER 35.A N ASN 33.A OD1 no hydrogen 3.152 N/A GLY 38.A N SER 35.A OG no hydrogen 3.009 N/A ALA 39.A N SER 35.A O no hydrogen 3.079 N/A LYS 40.A N ARG 36.A O no hydrogen 3.154 N/A LYS 40.A NZ ASP 44.A OD2 no hydrogen 3.385 N/A SER 41.A N SER 37.A O no hydrogen 2.916 N/A SER 41.A OG SER 37.A O no hydrogen 2.935 N/A ALA 42.A N GLY 38.A O no hydrogen 3.059 N/A VAL 43.A N ALA 39.A O no hydrogen 2.826 N/A ASP 44.A N LYS 40.A O no hydrogen 2.918 N/A GLU 45.A N SER 41.A O no hydrogen 3.094 N/A GLU 45.A N ALA 42.A O no hydrogen 3.152 N/A GLY 46.A N VAL 43.A O no hydrogen 3.230 N/A PHE 47.A N ALA 42.A O no hydrogen 2.945 N/A SER 50.A N GLY 31.A O no hydrogen 2.933 N/A ASP 52.A N SER 50.A OG no hydrogen 3.003 N/A ALA 55.A N ASP 52.A OD1 no hydrogen 3.140 N/A THR 56.A N ASP 52.A O no hydrogen 2.991 N/A THR 56.A OG1 ASP 52.A O no hydrogen 3.057 N/A LEU 57.A N LEU 53.A O no hydrogen 3.080 N/A GLN 58.A N GLU 54.A O no hydrogen 3.064 N/A ARG 59.A N ALA 55.A O no hydrogen 3.147 N/A ARG 59.A NE GLU 63.A OE2 no hydrogen 3.315 N/A ARG 59.A NH1 ASP 48.A OD1 no hydrogen 3.422 N/A ARG 59.A NH1 ASP 48.A OD2 no hydrogen 3.210 N/A ARG 59.A NH2 ASP 48.A OD2 no hydrogen 2.841 N/A ALA 60.A N THR 56.A O no hydrogen 2.783 N/A ALA 61.A N LEU 57.A O no hydrogen 2.848 N/A ALA 62.A N GLN 58.A O no hydrogen 2.942 N/A GLU 63.A N ARG 59.A O no hydrogen 2.899 N/A ASP 64.A N ALA 61.A O no hydrogen 3.485 N/A ALA 65.A N ALA 60.A O no hydrogen 3.017 N/A LEU 66.A N PRO 5.A O no hydrogen 3.028 N/A ILE 67.A N GLY 90.A O no hydrogen 3.107 N/A VAL 68.A N CYS 7.A O no hydrogen 2.849 N/A LEU 69.A N THR 92.A O no hydrogen 2.726 N/A ALA 70.A N LEU 9.A O no hydrogen 2.841 N/A ALA 74.A N PRO 72.A O no hydrogen 2.782 N/A SER 77.A OG ALA 74.A O no hydrogen 3.169 N/A LEU 78.A N ALA 74.A O no hydrogen 3.338 N/A LEU 79.A N ILE 75.A O no hydrogen 2.751 N/A ASP 80.A N ASP 76.A O no hydrogen 2.887 N/A ALA 81.A N SER 77.A O no hydrogen 2.915 N/A VAL 82.A N LEU 78.A O no hydrogen 2.983 N/A HIS 83.A N LEU 79.A O no hydrogen 2.848 N/A THR 84.A N ASP 80.A O no hydrogen 3.215 N/A THR 84.A OG1 ASP 80.A O no hydrogen 3.330 N/A HIS 85.A N ALA 81.A O no hydrogen 3.083 N/A HIS 85.A N VAL 82.A O no hydrogen 3.252 N/A HIS 85.A ND1 ALA 81.A O no hydrogen 2.726 N/A ALA 86.A N VAL 82.A O no hydrogen 2.691 N/A ASN 89.A N ALA 86.A O no hydrogen 3.277 N/A ASN 89.A ND2 ALA 60.A O no hydrogen 2.682 N/A ASN 89.A ND2 ALA 65.A O no hydrogen 3.290 N/A PHE 91.A N ARG 112.A O no hydrogen 2.838 N/A THR 92.A N ILE 67.A O no hydrogen 2.828 N/A THR 92.A OG1 ASP 93.A O no hydrogen 3.383 N/A THR 92.A OG1 VAL 114.A O no hydrogen 2.411 N/A VAL 95.A N ASP 93.A OD2 no hydrogen 3.027 N/A LYS 98.A N ASP 180.A OD1 no hydrogen 2.970 N/A LYS 98.A NZ ASP 93.A OD1 no hydrogen 3.335 N/A LYS 98.A NZ ASP 93.A OD2 no hydrogen 2.639 N/A LYS 98.A NZ VAL 95.A O no hydrogen 2.879 N/A LYS 98.A NZ VAL 97.A O no hydrogen 3.157 N/A THR 99.A N ASP 180.A OD2 no hydrogen 2.943 N/A THR 99.A OG1 ASP 180.A OD2 no hydrogen 2.617 N/A TYR 102.A N LYS 98.A O no hydrogen 2.973 N/A TYR 102.A OH ASP 146.A OD2 no hydrogen 2.726 N/A ASP 103.A N THR 99.A O no hydrogen 2.991 N/A ALA 104.A N ALA 100.A O no hydrogen 3.227 N/A VAL 105.A N VAL 101.A O no hydrogen 2.844 N/A LYS 106.A N TYR 102.A O no hydrogen 2.762 N/A ALA 107.A N ASP 103.A O no hydrogen 2.863 N/A ARG 108.A N VAL 105.A O no hydrogen 3.223 N/A ARG 108.A NE ASP 80.A OD1 no hydrogen 2.805 N/A ARG 108.A NH1 ALA 104.A O no hydrogen 2.657 N/A ASN 109.A N LYS 106.A O no hydrogen 2.936 N/A HIS 111.A NE2 ASP 149.A O no hydrogen 3.089 N/A ARG 112.A NE ASN 88.A O no hydrogen 3.042 N/A ARG 112.A NE ASN 88.A OD1 no hydrogen 3.110 N/A ARG 112.A NH1 HIS 111.A O no hydrogen 2.921 N/A ARG 112.A NH2 ASN 88.A OD1 no hydrogen 3.040 N/A TYR 113.A OH ASP 93.A OD1 no hydrogen 2.650 N/A VAL 114.A N PHE 91.A O no hydrogen 2.968 N/A SER 116.A N ASP 93.A OD1 no hydrogen 3.406 N/A SER 116.A OG THR 92.A OG1 no hydrogen 3.371 N/A SER 116.A OG ASP 93.A O no hydrogen 2.600 N/A HIS 117.A N VAL 138.A O no hydrogen 2.865 N/A HIS 117.A ND1 HIS 179.A NE2 no hydrogen 2.802 N/A ALA 127.A N GLY 124.A O no hydrogen 3.113 N/A SER 128.A N TRP 125.A O no hydrogen 3.029 N/A SER 128.A OG TRP 125.A O no hydrogen 2.822 N/A GLY 130.A N ASP 21.A OD1 no hydrogen 2.811 N/A LYS 133.A N GLY 130.A O no hydrogen 3.462 N/A ARG 134.A N GLY 168.A O no hydrogen 2.716 N/A ALA 135.A N PHE 132.A O no hydrogen 2.889 N/A TRP 137.A N GLU 170.A O no hydrogen 2.881 N/A TRP 137.A NE1 SER 116.A OG no hydrogen 3.029 N/A VAL 138.A N HIS 117.A O no hydrogen 2.771 N/A VAL 139.A N VAL 172.A O no hydrogen 3.058 N/A THR 140.A N GLY 115.A O no hydrogen 2.852 N/A THR 140.A OG1 GLY 115.A O no hydrogen 3.024 N/A GLN 143.A N GLN 143.A OE1 no hydrogen 2.696 N/A GLN 143.A NE2 GLN 110.A O no hydrogen 2.916 N/A LEU 144.A N PHE 141.A O no hydrogen 3.242 N/A PHE 145.A N ASP 142.A O no hydrogen 2.853 N/A ASP 146.A N ASP 142.A O no hydrogen 2.986 N/A THR 148.A N ASP 146.A OD1 no hydrogen 2.994 N/A THR 148.A OG1 TYR 102.A OH no hydrogen 3.323 N/A THR 148.A OG1 ASP 146.A OD1 no hydrogen 2.769 N/A THR 148.A OG1 ASP 146.A OD2 no hydrogen 3.390 N/A THR 153.A N ASN 151.A OD1 no hydrogen 3.304 N/A THR 153.A OG1 ASN 151.A OD1 no hydrogen 2.682 N/A TRP 154.A N ASN 151.A O no hydrogen 3.115 N/A TRP 154.A NE1 TYR 113.A O no hydrogen 2.755 N/A SER 156.A N SER 152.A O no hydrogen 2.924 N/A ILE 157.A N THR 153.A O no hydrogen 3.122 N/A TRP 158.A N TRP 154.A O no hydrogen 2.953 N/A LYS 159.A N ILE 155.A O no hydrogen 2.995 N/A ASP 160.A N SER 156.A O no hydrogen 3.310 N/A VAL 161.A N ILE 157.A O no hydrogen 3.092 N/A VAL 162.A N TRP 158.A O no hydrogen 3.127 N/A GLN 163.A N LYS 159.A O no hydrogen 2.761 N/A LEU 165.A N VAL 162.A O no hydrogen 2.887 N/A ALA 166.A N GLN 163.A O no hydrogen 2.777 N/A GLY 168.A N LEU 165.A O no hydrogen 3.117 N/A ALA 169.A N ALA 164.A O no hydrogen 3.109 N/A GLU 170.A N ALA 135.A O no hydrogen 2.835 N/A VAL 172.A N TRP 137.A O no hydrogen 3.150 N/A SER 174.A N VAL 139.A O no hydrogen 3.256 N/A SER 174.A OG ARG 175.A O no hydrogen 2.772 N/A ARG 175.A N GLU 308.A OE2 no hydrogen 2.895 N/A ARG 175.A NE GLU 308.A OE2 no hydrogen 2.870 N/A ARG 175.A NH2 GLU 308.A OE1 no hydrogen 2.744 N/A VAL 176.A N ASP 142.A OD2 no hydrogen 2.924 N/A HIS 179.A N ARG 175.A O no hydrogen 3.248 N/A HIS 179.A ND1 ASP 180.A OD1 no hydrogen 3.023 N/A HIS 179.A NE2 HIS 117.A ND1 no hydrogen 2.802 N/A ASP 180.A N VAL 176.A O no hydrogen 3.092 N/A ALA 181.A N GLY 177.A O no hydrogen 2.972 N/A ALA 182.A N PRO 178.A O no hydrogen 3.058 N/A ALA 183.A N HIS 179.A O no hydrogen 2.787 N/A ALA 184.A N ASP 180.A O no hydrogen 2.881 N/A ARG 185.A N ALA 181.A O no hydrogen 3.452 N/A ARG 185.A NH1 GLU 246.A OE1 no hydrogen 2.993 N/A ARG 185.A NH1 GLU 246.A OE2 no hydrogen 3.487 N/A ARG 185.A NH2 GLU 246.A OE2 no hydrogen 2.706 N/A VAL 186.A N ALA 182.A O no hydrogen 2.839 N/A SER 187.A N ALA 183.A O no hydrogen 3.017 N/A HIS 188.A N ALA 183.A O no hydrogen 2.839 N/A LEU 189.A N ALA 184.A O no hydrogen 2.781 N/A THR 190.A OG1 VAL 186.A O no hydrogen 2.891 N/A HIS 191.A N SER 187.A O no hydrogen 3.011 N/A HIS 191.A ND1 SER 187.A O no hydrogen 2.625 N/A ILE 192.A N HIS 188.A O no hydrogen 2.942 N/A LEU 193.A N LEU 189.A O no hydrogen 2.851 N/A ALA 194.A N THR 190.A O no hydrogen 3.031 N/A GLU 195.A N HIS 191.A O no hydrogen 3.109 N/A THR 196.A N ILE 192.A O no hydrogen 3.095 N/A THR 196.A OG1 ILE 192.A O no hydrogen 2.770 N/A LEU 197.A N LEU 193.A O no hydrogen 2.958 N/A ALA 198.A N ALA 194.A O no hydrogen 3.203 N/A ILE 199.A N GLU 195.A O no hydrogen 3.138 N/A VAL 200.A N THR 196.A O no hydrogen 3.093 N/A GLY 201.A N LEU 197.A O no hydrogen 2.984 N/A ASP 202.A N ALA 198.A O no hydrogen 2.864 N/A ASN 203.A N ILE 199.A O no hydrogen 2.713 N/A GLY 204.A N GLY 201.A O no hydrogen 3.000 N/A GLY 205.A N ASP 202.A O no hydrogen 3.020 N/A LEU 209.A N GLY 205.A O no hydrogen 3.228 N/A SER 210.A N ALA 206.A O no hydrogen 2.974 N/A LEU 211.A N LEU 207.A O no hydrogen 2.823 N/A ALA 212.A N SER 208.A O no hydrogen 3.003 N/A TYR 216.A OH LEU 197.A O no hydrogen 3.414 N/A ARG 217.A N ALA 213.A O no hydrogen 2.985 N/A ASP 218.A N GLY 214.A O no hydrogen 3.042 N/A SER 219.A N SER 215.A O no hydrogen 2.962 N/A SER 219.A OG SER 215.A O no hydrogen 3.338 N/A THR 220.A N TYR 216.A O no hydrogen 2.985 N/A THR 220.A OG1 TYR 216.A O no hydrogen 2.676 N/A ARG 221.A N ASP 218.A O no hydrogen 3.486 N/A ALA 223.A N THR 220.A O no hydrogen 3.113 N/A GLY 224.A N ARG 221.A O no hydrogen 2.896 N/A THR 225.A N VAL 222.A O no hydrogen 3.157 N/A THR 225.A OG1 VAL 222.A O no hydrogen 2.977 N/A GLY 228.A N ASP 226.A OD1 no hydrogen 2.810 N/A VAL 230.A N ASP 226.A O no hydrogen 3.005 N/A ARG 231.A N PRO 227.A O no hydrogen 3.014 N/A ARG 231.A NE GLU 234.A OE2 no hydrogen 3.223 N/A ARG 231.A NH2 GLU 234.A OE2 no hydrogen 3.540 N/A ALA 232.A N GLY 228.A O no hydrogen 3.063 N/A CYS 233.A SG VAL 230.A O no hydrogen 3.097 N/A GLU 234.A N ARG 231.A O no hydrogen 2.809 N/A SER 235.A N ALA 232.A O no hydrogen 2.895 N/A SER 235.A OG ALA 232.A O no hydrogen 2.512 N/A ASN 236.A ND2 ASP 180.A O no hydrogen 3.004 N/A ASN 236.A ND2 HIS 188.A ND1 no hydrogen 3.119 N/A ALA 237.A N GLU 234.A O no hydrogen 3.381 N/A LEU 240.A N ASN 236.A O no hydrogen 3.007 N/A VAL 241.A N ALA 237.A O no hydrogen 2.878 N/A LYS 242.A N GLY 238.A O no hydrogen 3.351 N/A ALA 243.A N PRO 239.A O no hydrogen 3.148 N/A LEU 244.A N LEU 240.A O no hydrogen 2.628 N/A ASP 245.A N VAL 241.A O no hydrogen 2.814 N/A GLU 246.A N LYS 242.A O no hydrogen 3.298 N/A ALA 247.A N ALA 243.A O no hydrogen 3.132 N/A LEU 248.A N LEU 244.A O no hydrogen 2.850 N/A ALA 249.A N ASP 245.A O no hydrogen 3.005 N/A ILE 250.A N GLU 246.A O no hydrogen 3.014 N/A LEU 251.A N ALA 247.A O no hydrogen 2.915 N/A HIS 252.A N LEU 248.A O no hydrogen 2.808 N/A GLU 253.A N ALA 249.A O no hydrogen 2.991 N/A ALA 254.A N ILE 250.A O no hydrogen 2.841 N/A ARG 255.A N LEU 251.A O no hydrogen 2.927 N/A GLU 256.A N HIS 252.A O no hydrogen 2.819 N/A GLY 257.A N GLU 253.A O no hydrogen 3.052 N/A LEU 258.A N ALA 254.A O no hydrogen 3.032 N/A THR 259.A N ARG 255.A O no hydrogen 3.020 N/A THR 259.A OG1 ARG 255.A O no hydrogen 2.710 N/A THR 259.A OG1 GLU 256.A O no hydrogen 3.018 N/A ALA 260.A N GLY 257.A O no hydrogen 3.497 N/A ASN 264.A N GLY 257.A O no hydrogen 2.888 N/A GLU 266.A N ASN 264.A OD1 no hydrogen 3.024 N/A ALA 269.A N ILE 265.A O no hydrogen 3.004 N/A ASP 270.A N GLU 266.A O no hydrogen 2.703 N/A ASN 271.A N GLN 267.A O no hydrogen 2.969 N/A GLY 272.A N LEU 268.A O no hydrogen 2.884 N/A TYR 273.A N ALA 269.A O no hydrogen 3.112 N/A ARG 274.A N ASP 270.A O no hydrogen 3.060 N/A ARG 274.A NH1 ASP 270.A OD2.B no hydrogen 3.010 N/A ARG 274.A NH2 ASN 271.A OD1 no hydrogen 2.894 N/A SER 275.A N ASN 271.A O no hydrogen 2.990 N/A SER 275.A OG ASN 271.A O no hydrogen 2.969 N/A ARG 276.A N GLY 272.A O no hydrogen 2.893 N/A ARG 276.A NE GLU 280.A OE2 no hydrogen 2.801 N/A ARG 276.A NH2 GLU 280.A OE2 no hydrogen 3.135 N/A ILE 277.A N TYR 273.A O no hydrogen 2.918 N/A ARG 278.A N ARG 274.A O no hydrogen 3.006 N/A TYR 279.A N SER 275.A O no hydrogen 3.017 N/A GLU 280.A N ARG 276.A O no hydrogen 3.030 N/A ALA 281.A N ILE 277.A O no hydrogen 2.918 N/A ARG 282.A N ARG 278.A O no hydrogen 3.414 N/A ARG 282.A N TYR 279.A O no hydrogen 3.090 N/A ARG 282.A NH2 LEU 310.A O no hydrogen 3.139 N/A SER 283.A N GLU 280.A O no hydrogen 2.913 N/A SER 283.A OG TYR 279.A O no hydrogen 3.438 N/A SER 286.A OG GLU 170.A OE1 no hydrogen 3.401 N/A SER 286.A OG GLU 170.A OE2 no hydrogen 3.500 N/A LEU 291.A N ARG 313.A O no hydrogen 3.146 N/A LEU 293.A N GLU 315.A O no hydrogen 3.249 N/A THR 297.A N HIS 294.A O no hydrogen 3.055 N/A THR 297.A OG1 HIS 294.A O no hydrogen 3.221 N/A TRP 300.A N THR 297.A O no hydrogen 3.356 N/A LYS 302.A N ASN 299.A O no hydrogen 3.313 N/A GLN 303.A N TRP 300.A O no hydrogen 2.850 N/A LEU 304.A N GLU 301.A O no hydrogen 2.847 N/A HIS 306.A N LYS 302.A O no hydrogen 3.062 N/A ALA 307.A N GLN 303.A O no hydrogen 2.888 N/A GLU 308.A N LEU 304.A O no hydrogen 2.986 N/A THR 309.A N ILE 305.A O no hydrogen 2.972 N/A THR 309.A OG1 ILE 305.A O no hydrogen 2.868 N/A LEU 310.A N HIS 306.A O no hydrogen 3.317 N/A GLY 311.A N GLU 308.A O no hydrogen 3.285 N/A ALA 312.A N ALA 307.A O no hydrogen 2.793 N/A ARG 313.A N PRO 289.A O no hydrogen 3.014 N/A ARG 313.A NH1 GLU 315.A OE2 no hydrogen 3.526 N/A ILE 314.A N VAL 171.A O no hydrogen 2.745 N/A GLU 315.A N LEU 291.A O no hydrogen 3.194 N/A PHE 317.A N LEU 293.A O no hydrogen 3.103 N/A