Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3in1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N ASN 1.A OD1 no hydrogen 2.638 N/A ASP 3.A N ARG 54.A O no hydrogen 3.018 N/A VAL 4.A N ARG 54.A O no hydrogen 3.185 N/A ILE 5.A N LEU 132.A O no hydrogen 3.035 N/A CYS 6.A N ALA 56.A O no hydrogen 2.859 N/A CYS 6.A SG ALA 41.A O no hydrogen 3.723 N/A CYS 6.A SG SER 134.A O no hydrogen 3.650 N/A ILE 7.A N SER 134.A O no hydrogen 2.860 N/A ALA 10.A N SER 58.A OG no hydrogen 3.310 N/A ILE 11.A N GLY 38.A O no hydrogen 3.291 N/A VAL 12.A N SER 92.A O no hydrogen 3.179 N/A ASP 13.A N THR 36.A O no hydrogen 2.785 N/A ILE 14.A N ASN 94.A O no hydrogen 2.881 N/A LEU 16.A N GLY 96.A O no hydrogen 2.741 N/A VAL 19.A N VAL 98.A O no hydrogen 2.691 N/A ASN 22.A N SER 20.A OG no hydrogen 3.027 N/A ASP 25.A N ASN 22.A O no hydrogen 2.841 N/A TYR 29.A OH ILE 23.A O no hydrogen 2.624 N/A THR 36.A OG1 ASP 13.A O no hydrogen 3.298 N/A GLY 38.A N ILE 11.A O no hydrogen 2.891 N/A ASN 43.A N GLY 39.A O no hydrogen 3.005 N/A ASN 43.A ND2 ASP 252.A OD2 no hydrogen 2.782 N/A GLU 44.A N ASP 40.A O no hydrogen 2.887 N/A ALA 45.A N ALA 41.A O no hydrogen 2.969 N/A THR 46.A N ILE 42.A O no hydrogen 2.895 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.760 N/A THR 46.A OG1 HIS 72.A NE2 no hydrogen 2.854 N/A ILE 47.A N ASN 43.A O no hydrogen 2.881 N/A ILE 48.A N GLU 44.A O no hydrogen 2.781 N/A SER 49.A N ALA 45.A O no hydrogen 3.035 N/A SER 49.A OG ALA 45.A O no hydrogen 2.727 N/A ARG 50.A N THR 46.A O no hydrogen 3.132 N/A ARG 50.A NE GLU 76.A OE1 no hydrogen 2.936 N/A ARG 50.A NH1 THR 289.A O no hydrogen 2.849 N/A ARG 50.A NH1 VAL 292.A O no hydrogen 2.840 N/A ARG 50.A NH2 GLU 76.A OE2 no hydrogen 2.955 N/A LEU 51.A N ILE 47.A O no hydrogen 2.938 N/A GLY 52.A N SER 49.A O no hydrogen 3.042 N/A HIS 53.A N ILE 48.A O no hydrogen 3.097 N/A THR 55.A OG1 HIS 53.A O no hydrogen 3.087 N/A ALA 56.A N VAL 4.A O no hydrogen 2.752 N/A LEU 57.A N ASP 79.A O no hydrogen 3.116 N/A SER 58.A OG GLY 8.A O no hydrogen 2.804 N/A ARG 59.A NE ASP 121.A OD1 no hydrogen 2.521 N/A ARG 59.A NE ASP 121.A OD2 no hydrogen 3.306 N/A ARG 59.A NH2 ASP 121.A OD2 no hydrogen 3.342 N/A ILE 60.A N LYS 84.A O no hydrogen 2.949 N/A GLY 61.A N THR 91.A OG1 no hydrogen 2.795 N/A GLY 66.A N ASP 63.A OD1 no hydrogen 2.733 N/A GLN 67.A N ASP 63.A O no hydrogen 2.891 N/A GLN 67.A NE2 ASP 71.A OD1 no hydrogen 3.215 N/A GLN 67.A NE2 ASP 71.A OD2 no hydrogen 3.526 N/A PHE 68.A N ALA 64.A O no hydrogen 3.049 N/A ILE 69.A N ALA 65.A O no hydrogen 3.055 N/A LEU 70.A N GLY 66.A O no hydrogen 3.082 N/A ASP 71.A N GLN 67.A O no hydrogen 2.981 N/A HIS 72.A N PHE 68.A O no hydrogen 2.960 N/A HIS 72.A NE2 THR 46.A OG1 no hydrogen 2.854 N/A CYS 73.A N ILE 69.A O no hydrogen 2.892 N/A CYS 73.A SG ILE 69.A O no hydrogen 3.469 N/A ARG 74.A N LEU 70.A O no hydrogen 2.913 N/A LYS 75.A N ASP 71.A O no hydrogen 3.012 N/A GLU 76.A N HIS 72.A O no hydrogen 2.957 N/A ASN 77.A N ARG 74.A O no hydrogen 3.323 N/A ILE 78.A N CYS 73.A O no hydrogen 2.845 N/A ASP 79.A N THR 55.A O no hydrogen 2.773 N/A GLN 81.A N ASP 79.A OD1 no hydrogen 2.973 N/A LEU 83.A N ILE 80.A O no hydrogen 3.209 N/A LYS 84.A N SER 58.A O no hydrogen 3.310 N/A LYS 84.A NZ GLN 81.A O no hydrogen 3.274 N/A ASP 86.A N ILE 60.A O no hydrogen 2.805 N/A SER 88.A N ASP 86.A OD1 no hydrogen 2.762 N/A SER 88.A OG ASP 86.A OD1 no hydrogen 2.517 N/A ILE 89.A N ASP 86.A O no hydrogen 3.318 N/A THR 91.A N ASP 63.A OD2 no hydrogen 2.965 N/A THR 91.A OG1 ASP 63.A OD1 no hydrogen 2.681 N/A THR 91.A OG1 ASP 63.A OD2 no hydrogen 3.200 N/A SER 92.A N SER 113.A OG no hydrogen 3.146 N/A ASN 94.A N VAL 12.A O no hydrogen 2.817 N/A VAL 95.A N VAL 107.A O no hydrogen 3.037 N/A GLY 96.A N ILE 14.A O no hydrogen 3.083 N/A LEU 97.A N THR 105.A O no hydrogen 3.006 N/A VAL 98.A N LEU 16.A O no hydrogen 2.984 N/A THR 99.A N GLU 103.A O no hydrogen 2.946 N/A ASP 101.A N THR 99.A O no hydrogen 2.474 N/A GLY 102.A N THR 99.A O no hydrogen 2.912 N/A THR 105.A N LEU 97.A O no hydrogen 3.156 N/A VAL 107.A N VAL 95.A O no hydrogen 2.959 N/A ARG 110.A NH1 ARG 110.A O no hydrogen 2.706 N/A ASN 111.A N ASN 109.A OD1 no hydrogen 2.794 N/A GLY 112.A N ASN 109.A O no hydrogen 2.865 N/A SER 113.A N ASP 90.A O no hydrogen 2.837 N/A LEU 114.A N SER 92.A OG no hydrogen 2.977 N/A TRP 115.A N GLY 112.A O no hydrogen 3.020 N/A LYS 116.A N SER 113.A O no hydrogen 2.963 N/A LYS 116.A NZ ASN 111.A O no hydrogen 2.634 N/A LEU 117.A N SER 113.A O no hydrogen 3.160 N/A ASN 118.A N ASP 121.A OD2 no hydrogen 3.109 N/A ASN 118.A ND2 LYS 116.A O no hydrogen 3.050 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 2.790 N/A ASP 121.A N ASN 118.A O no hydrogen 2.922 N/A VAL 122.A N ILE 119.A O no hydrogen 3.120 N/A ALA 125.A N ASP 123.A OD1 no hydrogen 3.142 N/A ARG 126.A N ASP 123.A O no hydrogen 3.185 N/A ARG 126.A NE GLN 129.A OE1 no hydrogen 3.465 N/A ARG 126.A NH1 ASP 79.A OD1 no hydrogen 3.029 N/A ARG 126.A NH1 SER 82.A OG no hydrogen 2.872 N/A ARG 126.A NH2 ASP 79.A OD1 no hydrogen 3.226 N/A ARG 126.A NH2 ASP 79.A OD2 no hydrogen 3.066 N/A ARG 126.A NH2 GLN 129.A OE1 no hydrogen 3.493 N/A PHE 127.A N PHE 124.A O no hydrogen 2.890 N/A GLN 129.A N ARG 126.A O no hydrogen 2.838 N/A ALA 130.A N PHE 127.A O no hydrogen 3.442 N/A LYS 131.A N ASP 3.A O no hydrogen 2.994 N/A LYS 131.A NZ ASP 3.A OD1 no hydrogen 2.943 N/A LEU 132.A N ASP 3.A O no hydrogen 2.910 N/A LEU 133.A N ILE 161.A O no hydrogen 2.795 N/A SER 134.A N ILE 5.A O no hydrogen 2.860 N/A SER 134.A OG GLU 44.A OE1 no hydrogen 2.699 N/A LEU 135.A N CYS 163.A O no hydrogen 2.832 N/A ALA 136.A N ILE 7.A O no hydrogen 2.858 N/A SER 137.A N LEU 135.A O no hydrogen 2.562 N/A SER 137.A OG ASP 40.A OD2 no hydrogen 2.734 N/A ILE 138.A N ASP 165.A O no hydrogen 2.860 N/A ASN 140.A N SER 137.A O no hydrogen 3.222 N/A SER 141.A OG LEU 114.A O no hydrogen 2.804 N/A LEU 144.A N SER 141.A O no hydrogen 2.840 N/A ALA 148.A N ASP 145.A OD1 no hydrogen 3.191 N/A LEU 149.A N ASP 145.A O no hydrogen 2.869 N/A THR 150.A N GLY 146.A O no hydrogen 2.812 N/A THR 150.A OG1 GLY 146.A O no hydrogen 2.783 N/A THR 150.A OG1 GLU 179.A OE1 no hydrogen 3.429 N/A GLU 151.A N LYS 147.A O no hydrogen 3.152 N/A ILE 152.A N ALA 148.A O no hydrogen 2.799 N/A PHE 153.A N LEU 149.A O no hydrogen 2.725 N/A THR 154.A N THR 150.A O no hydrogen 2.854 N/A THR 154.A OG1 THR 150.A O no hydrogen 2.648 N/A THR 154.A OG1 TYR 183.A OH no hydrogen 3.318 N/A GLN 155.A N GLU 151.A O no hydrogen 2.956 N/A ALA 156.A N ILE 152.A O no hydrogen 3.016 N/A LYS 157.A N PHE 153.A O no hydrogen 2.910 N/A LYS 157.A NZ ASP 185.A OD1 no hydrogen 3.452 N/A LYS 157.A NZ ASP 185.A OD2 no hydrogen 2.569 N/A ALA 158.A N THR 154.A O no hydrogen 3.287 N/A ARG 159.A NH1 GLN 155.A O no hydrogen 2.997 N/A GLN 160.A N LYS 157.A O no hydrogen 3.091 N/A ILE 162.A N ASP 185.A OD2 no hydrogen 2.802 N/A CYS 163.A N LEU 133.A O no hydrogen 2.779 N/A ALA 164.A N TYR 186.A O no hydrogen 3.060 N/A ASP 165.A N LEU 135.A O no hydrogen 3.418 N/A ARG 169.A NE ASN 140.A O no hydrogen 2.798 N/A ARG 169.A NH2 ASN 140.A OD1 no hydrogen 3.057 N/A LEU 170.A N GLU 172.A OE1 no hydrogen 2.757 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.703 N/A THR 173.A N ASP 176.A OD2 no hydrogen 2.552 N/A THR 173.A OG1 ASP 176.A OD2 no hydrogen 3.363 N/A ASP 176.A N THR 173.A O no hydrogen 2.930 N/A ILE 177.A N LEU 174.A O no hydrogen 3.097 N/A CYS 178.A N ASP 175.A O no hydrogen 3.403 N/A LEU 181.A N ILE 177.A O no hydrogen 2.824 N/A SER 182.A N CYS 178.A O no hydrogen 3.297 N/A SER 182.A N GLU 179.A O no hydrogen 3.190 N/A SER 182.A OG GLU 179.A O no hydrogen 2.642 N/A TYR 183.A N ALA 180.A O no hydrogen 3.252 N/A VAL 184.A N LEU 181.A O no hydrogen 2.948 N/A ASP 185.A N ILE 162.A O no hydrogen 2.952 N/A TYR 186.A N ILE 162.A O no hydrogen 3.105 N/A LEU 187.A N THR 217.A O no hydrogen 3.007 N/A PHE 188.A N ALA 164.A O no hydrogen 2.903 N/A PHE 191.A N LYS 221.A O no hydrogen 3.051 N/A ALA 194.A N ASN 190.A O no hydrogen 2.800 N/A LYS 195.A N PHE 191.A O no hydrogen 2.844 N/A LEU 196.A N ALA 192.A O no hydrogen 3.082 N/A LEU 197.A N GLU 193.A O no hydrogen 2.878 N/A THR 198.A N ALA 194.A O no hydrogen 2.882 N/A THR 198.A OG1 ALA 194.A O no hydrogen 2.912 N/A GLY 199.A N LYS 195.A O no hydrogen 2.899 N/A LYS 200.A N THR 198.A OG1 no hydrogen 3.251 N/A THR 202.A OG1 GLU 205.A OE1 no hydrogen 3.389 N/A GLU 205.A N THR 202.A OG1 no hydrogen 3.184 N/A ILE 206.A N THR 202.A O no hydrogen 2.818 N/A ALA 207.A N LEU 203.A O no hydrogen 2.880 N/A ASP 208.A N ASP 204.A O no hydrogen 2.864 N/A CYS 209.A N GLU 205.A O no hydrogen 3.363 N/A CYS 209.A N ILE 206.A O no hydrogen 3.184 N/A CYS 209.A SG GLU 205.A O no hydrogen 3.535 N/A LEU 211.A N ALA 207.A O no hydrogen 3.039 N/A ALA 212.A N ASP 208.A O no hydrogen 2.840 N/A CYS 213.A N PHE 210.A O no hydrogen 3.019 N/A CYS 213.A SG CYS 209.A O no hydrogen 3.785 N/A GLY 214.A N LEU 211.A O no hydrogen 2.882 N/A VAL 215.A N PHE 210.A O no hydrogen 3.350 N/A LYS 216.A N VAL 184.A O no hydrogen 2.976 N/A LYS 216.A NZ GLY 214.A O no hydrogen 3.019 N/A THR 217.A N ASP 185.A O no hydrogen 2.863 N/A VAL 218.A N LYS 230.A O no hydrogen 2.907 N/A VAL 219.A N LEU 187.A O no hydrogen 2.805 N/A ILE 220.A N PHE 228.A O no hydrogen 2.746 N/A LYS 221.A N PRO 189.A O no hydrogen 2.979 N/A LYS 221.A NZ ASP 165.A OD1 no hydrogen 3.470 N/A LYS 221.A NZ PRO 189.A O no hydrogen 3.566 N/A THR 222.A N GLY 226.A O no hydrogen 3.000 N/A ASP 225.A N THR 222.A O no hydrogen 2.916 N/A GLY 226.A N GLY 223.A O no hydrogen 2.860 N/A CYS 227.A N VAL 236.A O no hydrogen 3.074 N/A PHE 228.A N ILE 220.A O no hydrogen 2.756 N/A LYS 230.A N VAL 218.A O no hydrogen 2.879 N/A LYS 230.A NZ ASP 204.A OD2 no hydrogen 3.403 N/A LYS 230.A NZ ASP 208.A OD1 no hydrogen 3.252 N/A ARG 231.A NE THR 217.A OG1 no hydrogen 2.738 N/A ARG 231.A NH2 THR 217.A OG1 no hydrogen 3.092 N/A VAL 236.A N CYS 227.A O no hydrogen 3.008 N/A ALA 240.A N TYR 305.A O no hydrogen 3.257 N/A ILE 245.A N VAL 283.A O no hydrogen 2.728 N/A ILE 248.A N ASP 246.A OD2 no hydrogen 3.379 N/A ALA 250.A N THR 247.A O no hydrogen 2.964 N/A ASN 253.A N GLY 249.A O no hydrogen 2.994 N/A ASN 253.A ND2 GLY 249.A O no hydrogen 2.909 N/A ASN 253.A ND2 ALA 288.A O no hydrogen 2.868 N/A PHE 254.A N ALA 250.A O no hydrogen 2.855 N/A ALA 255.A N GLY 251.A O no hydrogen 2.936 N/A SER 256.A N ASP 252.A O no hydrogen 2.993 N/A SER 256.A OG GLU 44.A O no hydrogen 3.434 N/A SER 256.A OG ASP 252.A O no hydrogen 2.834 N/A GLY 257.A N ASN 253.A O no hydrogen 2.937 N/A PHE 258.A N PHE 254.A O no hydrogen 2.908 N/A ILE 259.A N ALA 255.A O no hydrogen 2.888 N/A ALA 260.A N SER 256.A O no hydrogen 2.971 N/A ALA 261.A N GLY 257.A O no hydrogen 3.132 N/A LEU 262.A N PHE 258.A O no hydrogen 2.911 N/A LEU 263.A N ILE 259.A O no hydrogen 2.988 N/A GLU 264.A N ALA 260.A O no hydrogen 3.148 N/A GLU 264.A N ALA 261.A O no hydrogen 3.107 N/A GLY 265.A N LEU 262.A O no hydrogen 2.991 N/A LYS 266.A N ALA 261.A O no hydrogen 3.128 N/A ASN 267.A N GLU 270.A OE1 no hydrogen 2.707 N/A GLU 270.A N ASN 267.A OD1 no hydrogen 2.804 N/A CYS 271.A N ASN 267.A O no hydrogen 2.868 N/A CYS 271.A SG LYS 266.A O no hydrogen 3.533 N/A CYS 271.A SG ASN 267.A O no hydrogen 3.447 N/A ALA 272.A N LEU 268.A O no hydrogen 3.073 N/A ARG 273.A N ARG 269.A O no hydrogen 2.944 N/A ARG 273.A NH2 GLU 306.A OE2 no hydrogen 3.305 N/A PHE 274.A N GLU 270.A O no hydrogen 2.968 N/A ALA 275.A N CYS 271.A O no hydrogen 2.979 N/A ASN 276.A N ALA 272.A O no hydrogen 2.806 N/A ASN 276.A ND2 VAL 236.A O no hydrogen 3.340 N/A ALA 277.A N ARG 273.A O no hydrogen 2.897 N/A THR 278.A N PHE 274.A O no hydrogen 2.982 N/A THR 278.A OG1 PHE 274.A O no hydrogen 2.808 N/A ALA 279.A N ALA 275.A O no hydrogen 2.973 N/A ALA 280.A N ASN 276.A O no hydrogen 2.814 N/A ILE 281.A N ALA 277.A O no hydrogen 3.152 N/A SER 282.A N THR 278.A O no hydrogen 3.242 N/A SER 282.A OG ALA 279.A O no hydrogen 2.707 N/A VAL 283.A N ALA 279.A O no hydrogen 3.193 N/A VAL 283.A N ALA 280.A O no hydrogen 3.318 N/A LEU 284.A N ILE 281.A O no hydrogen 3.308 N/A SER 285.A N SER 282.A O no hydrogen 3.420 N/A THR 290.A OG1 VAL 286.A O no hydrogen 2.447 N/A LYS 293.A N GLY 291.A O no hydrogen 2.802 N/A ARG 295.A NE GLU 299.A OE2 no hydrogen 3.158 N/A ARG 295.A NH1 LEU 51.A O no hydrogen 2.735 N/A ARG 295.A NH1 GLU 264.A OE1 no hydrogen 2.677 N/A ARG 295.A NH2 GLU 264.A OE1 no hydrogen 3.424 N/A ARG 295.A NH2 GLU 264.A OE2 no hydrogen 3.031 N/A LEU 297.A N ASN 294.A OD1 no hydrogen 3.079 N/A GLU 299.A N ARG 295.A O no hydrogen 3.057 N/A GLN 300.A N LYS 296.A O no hydrogen 2.873 N/A LEU 301.A N LEU 297.A O no hydrogen 3.220 N/A LEU 302.A N VAL 298.A O no hydrogen 2.986 N/A GLU 303.A N GLN 300.A O no hydrogen 3.114 N/A GLU 304.A N LEU 301.A O no hydrogen 2.916 N/A TYR 305.A OH PRO 237.A O no hydrogen 2.564 N/A