Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ptc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N TYR 21.A O no hydrogen 2.818 N/A VAL 5.A N VAL 19.A O no hydrogen 2.852 N/A ALA 7.A N GLN 17.A O no hydrogen 2.974 N/A THR 8.A N PHE 80.A O no hydrogen 3.010 N/A THR 8.A OG1 ASP 14.A OD1 no hydrogen 3.521 N/A GLY 10.A N ARG 78.A O no hydrogen 3.114 N/A GLN 17.A N ALA 7.A O no hydrogen 2.821 N/A VAL 19.A N VAL 5.A O no hydrogen 2.845 N/A TYR 21.A N THR 3.A O no hydrogen 2.872 N/A THR 22.A N LYS 39.A O no hydrogen 2.841 N/A LYS 25.A N GLN 37.A O no hydrogen 2.835 N/A ILE 27.A N VAL 35.A O no hydrogen 2.816 N/A GLY 28.A N VAL 35.A O no hydrogen 3.031 N/A GLY 30.A N GLY 33.A O no hydrogen 2.822 N/A GLY 33.A N GLY 30.A O no hydrogen 3.112 N/A VAL 35.A N GLY 28.A O no hydrogen 2.641 N/A TYR 36.A N ILE 49.A O no hydrogen 2.642 N/A GLN 37.A N LYS 25.A O no hydrogen 2.637 N/A ALA 38.A N VAL 47.A O no hydrogen 2.856 N/A LYS 39.A N THR 22.A O no hydrogen 2.860 N/A LEU 40.A N GLU 45.A O no hydrogen 2.841 N/A CYS 41.A N SER 20.A O no hydrogen 3.097 N/A GLY 44.A N LEU 40.A O no hydrogen 2.659 N/A VAL 47.A N ALA 38.A O no hydrogen 2.824 N/A ALA 48.A N LEU 93.A O no hydrogen 2.665 N/A LYS 50.A N LEU 91.A O no hydrogen 2.912 N/A LYS 50.A NZ GLU 62.A OE1 no hydrogen 3.380 N/A LYS 50.A NZ GLU 62.A OE2 no hydrogen 2.729 N/A LYS 50.A NZ ASP 161.A OD1 no hydrogen 3.474 N/A LYS 51.A N VAL 34.A O no hydrogen 2.879 N/A VAL 52.A N LEU 89.A O no hydrogen 2.837 N/A GLN 54.A N VAL 87.A O no hydrogen 2.857 N/A LEU 63.A N ASN 60.A OD1 no hydrogen 2.899 N/A GLN 64.A N ASN 60.A O no hydrogen 2.979 N/A ILE 65.A N ARG 61.A O no hydrogen 2.854 N/A MET 66.A N GLU 62.A O no hydrogen 2.602 N/A ARG 67.A N LEU 63.A O no hydrogen 2.739 N/A LYS 68.A N ILE 65.A O no hydrogen 3.089 N/A LEU 69.A N MET 66.A O no hydrogen 3.209 N/A ASP 70.A N TYR 132.A OH no hydrogen 3.027 N/A HIS 71.A NE2 GLU 327.A OE1 no hydrogen 2.616 N/A CYS 72.A SG ASN 73.A OD1 no hydrogen 3.999 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.912 N/A ASN 73.A ND2 GLN 125.A OE1 no hydrogen 3.338 N/A ASN 73.A ND2 LEU 157.A O no hydrogen 2.849 N/A ILE 74.A N HIS 71.A O no hydrogen 3.263 N/A VAL 75.A N LEU 159.A O no hydrogen 2.780 N/A ARG 78.A NH1 ASP 94.A OD1 no hydrogen 2.794 N/A TYR 79.A N VAL 92.A O no hydrogen 3.195 N/A PHE 80.A N THR 8.A O no hydrogen 3.038 N/A PHE 81.A N ASN 90.A O no hydrogen 2.949 N/A SER 83.A N TYR 88.A O no hydrogen 3.091 N/A TYR 88.A N SER 83.A O no hydrogen 3.149 N/A LEU 89.A N VAL 52.A O no hydrogen 2.515 N/A ASN 90.A N PHE 81.A O no hydrogen 2.776 N/A LEU 91.A N LYS 50.A O no hydrogen 2.975 N/A VAL 92.A N TYR 79.A O no hydrogen 2.776 N/A LEU 93.A N ALA 48.A O no hydrogen 2.696 N/A ASP 94.A N ARG 76.A O no hydrogen 3.170 N/A TYR 95.A N LEU 46.A O no hydrogen 3.196 N/A GLU 98.A N LEU 150.A O no hydrogen 3.082 N/A VAL 100.A N LEU 148.A O no hydrogen 2.983 N/A TYR 101.A N PRO 145.A O no hydrogen 3.297 N/A ARG 102.A N THR 99.A OG1 no hydrogen 3.070 N/A VAL 103.A N THR 99.A O no hydrogen 2.954 N/A ALA 104.A N VAL 100.A O no hydrogen 2.880 N/A ARG 105.A N TYR 101.A O no hydrogen 3.110 N/A HIS 106.A N ARG 102.A O no hydrogen 3.238 N/A TYR 107.A N VAL 103.A O no hydrogen 3.194 N/A SER 108.A N ALA 104.A O no hydrogen 2.622 N/A ARG 109.A N ARG 105.A O no hydrogen 2.534 N/A ALA 110.A N TYR 107.A O no hydrogen 2.945 N/A LYS 111.A N SER 108.A O no hydrogen 2.884 N/A THR 113.A OG1 LEU 114.A O no hydrogen 3.519 N/A TYR 118.A N PRO 115.A O no hydrogen 2.850 N/A LYS 120.A N VAL 116.A O no hydrogen 2.803 N/A LEU 121.A N ILE 117.A O no hydrogen 2.830 N/A TYR 122.A N TYR 118.A O no hydrogen 2.812 N/A MET 123.A N VAL 119.A O no hydrogen 2.794 N/A TYR 124.A N LYS 120.A O no hydrogen 2.866 N/A TYR 124.A OH LEU 320.A O no hydrogen 2.669 N/A GLN 125.A N LEU 121.A O no hydrogen 3.260 N/A GLN 125.A NE2 LEU 121.A O no hydrogen 2.809 N/A GLN 125.A NE2 ALA 155.A O no hydrogen 2.789 N/A LEU 126.A N TYR 122.A O no hydrogen 2.980 N/A PHE 127.A N MET 123.A O no hydrogen 2.919 N/A ARG 128.A N TYR 124.A O no hydrogen 2.971 N/A ARG 128.A NE GLU 327.A OE1 no hydrogen 2.626 N/A ARG 128.A NH1 ASN 322.A OD1 no hydrogen 2.644 N/A ARG 128.A NH2 ASN 322.A OD1 no hydrogen 3.136 N/A ARG 128.A NH2 GLU 327.A OE1 no hydrogen 2.892 N/A ARG 128.A NH2 GLU 327.A OE2 no hydrogen 2.945 N/A SER 129.A N GLN 125.A O no hydrogen 3.146 N/A SER 129.A OG LEU 126.A O no hydrogen 2.540 N/A LEU 130.A N LEU 126.A O no hydrogen 3.063 N/A ALA 131.A N PHE 127.A O no hydrogen 2.837 N/A TYR 132.A N ARG 128.A O no hydrogen 2.884 N/A ILE 133.A N SER 129.A O no hydrogen 2.889 N/A HIS 134.A N LEU 130.A O no hydrogen 2.712 N/A SER 135.A N ALA 131.A O no hydrogen 3.308 N/A SER 135.A N TYR 132.A O no hydrogen 2.972 N/A SER 135.A OG TYR 132.A O no hydrogen 2.812 N/A GLY 137.A N HIS 134.A O no hydrogen 2.454 N/A ILE 138.A N ILE 133.A O no hydrogen 2.942 N/A CYS 139.A N LYS 166.A O no hydrogen 2.770 N/A CYS 139.A SG ASP 200.A OD2 no hydrogen 3.241 N/A HIS 140.A N ASP 200.A OD2 no hydrogen 2.624 N/A HIS 140.A NE2 CYS 160.A O no hydrogen 2.836 N/A ARG 141.A N ASP 200.A OD1 no hydrogen 2.964 N/A ARG 141.A NE SER 164.A O no hydrogen 2.769 N/A ARG 141.A NH1 TYR 195.A OH no hydrogen 2.657 N/A ARG 141.A NH2 SER 164.A O no hydrogen 2.946 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.175 N/A ASN 147.A N LYS 144.A O no hydrogen 2.757 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.586 N/A LEU 148.A N PRO 145.A O no hydrogen 3.161 N/A LEU 149.A N LYS 158.A O no hydrogen 2.666 N/A LEU 150.A N GLU 98.A O no hydrogen 2.958 N/A ASP 151.A N VAL 156.A O no hydrogen 2.772 N/A ASP 153.A N ASP 151.A OD1 no hydrogen 3.161 N/A THR 154.A N ASP 151.A OD1 no hydrogen 3.418 N/A VAL 156.A N THR 154.A OG1 no hydrogen 3.204 N/A LEU 157.A N GLN 125.A OE1 no hydrogen 3.054 N/A LYS 158.A N LEU 149.A O no hydrogen 2.765 N/A LYS 158.A NZ CYS 72.A O no hydrogen 2.785 N/A LEU 159.A N ASN 73.A O no hydrogen 2.998 N/A CYS 160.A N ASN 147.A O no hydrogen 3.035 N/A CYS 160.A SG ASN 147.A O no hydrogen 3.488 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.421 N/A ALA 165.A N PHE 162.A O no hydrogen 3.226 N/A LYS 166.A N CYS 139.A O no hydrogen 2.786 N/A LEU 168.A N GLY 137.A O no hydrogen 2.871 N/A GLU 172.A N VAL 169.A O no hydrogen 3.287 N/A ASN 174.A N THR 193.A O no hydrogen 3.082 N/A CYS 179.A SG.A SER 180.A O no hydrogen 3.999 N/A CYS 179.A SG.A TYR 183.A O no hydrogen 3.365 N/A CYS 179.A SG.A SER 203.A OG no hydrogen 3.659 N/A CYS 179.A SG.B ARG 141.A O no hydrogen 3.006 N/A SER 180.A OG ASP 142.A OD1 no hydrogen 2.842 N/A TYR 183.A N SER 180.A O no hydrogen 3.279 N/A TYR 183.A OH GLU 210.A OE1 no hydrogen 2.432 N/A TYR 183.A OH GLU 210.A OE2 no hydrogen 3.392 N/A ARG 184.A NH1 SER 176.A O no hydrogen 3.068 N/A ARG 184.A NH1 ILE 178.A O no hydrogen 2.549 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.774 N/A ILE 189.A N ALA 185.A O no hydrogen 2.985 N/A PHE 190.A N PRO 186.A O no hydrogen 2.860 N/A GLY 191.A N LEU 188.A O no hydrogen 2.602 N/A ALA 192.A N GLU 187.A O no hydrogen 2.806 N/A TYR 195.A OH VAL 175.A O no hydrogen 2.839 N/A THR 196.A OG1 SER 198.A OG no hydrogen 2.753 N/A SER 198.A N THR 196.A OG1 no hydrogen 3.238 N/A SER 198.A OG THR 196.A OG1 no hydrogen 2.753 N/A SER 198.A OG PRO 286.A O no hydrogen 2.974 N/A ILE 199.A N THR 196.A O no hydrogen 3.122 N/A ASP 200.A N SER 197.A O no hydrogen 3.105 N/A VAL 201.A N SER 198.A O no hydrogen 3.207 N/A TRP 202.A N SER 198.A O no hydrogen 3.000 N/A SER 203.A N ILE 199.A O no hydrogen 2.945 N/A SER 203.A OG TYR 183.A O no hydrogen 2.848 N/A SER 203.A OG ILE 199.A O no hydrogen 2.885 N/A ALA 204.A N ASP 200.A O no hydrogen 2.929 N/A GLY 205.A N VAL 201.A O no hydrogen 2.922 N/A CYS 206.A N TRP 202.A O no hydrogen 3.030 N/A CYS 206.A SG TYR 182.A O no hydrogen 3.453 N/A CYS 206.A SG TRP 202.A O no hydrogen 3.808 N/A VAL 207.A N SER 203.A O no hydrogen 2.987 N/A LEU 208.A N ALA 204.A O no hydrogen 2.933 N/A ALA 209.A N GLY 205.A O no hydrogen 3.022 N/A GLU 210.A N CYS 206.A O no hydrogen 3.038 N/A LEU 211.A N VAL 207.A O no hydrogen 2.989 N/A LEU 212.A N LEU 208.A O no hydrogen 2.989 N/A LEU 213.A N ALA 209.A O no hydrogen 2.691 N/A GLY 214.A N GLU 210.A O no hydrogen 2.730 N/A GLN 226.A N SER 222.A O no hydrogen 3.242 N/A GLN 226.A NE2 GLY 220.A O no hydrogen 2.807 N/A LEU 227.A N GLY 223.A O no hydrogen 2.855 N/A VAL 228.A N VAL 224.A O no hydrogen 2.946 N/A GLU 229.A N ASP 225.A O no hydrogen 2.816 N/A ILE 230.A N GLN 226.A O no hydrogen 2.847 N/A ILE 231.A N LEU 227.A O no hydrogen 3.086 N/A LYS 232.A N VAL 228.A O no hydrogen 3.034 N/A VAL 233.A N ILE 230.A O no hydrogen 2.908 N/A LEU 234.A N ILE 230.A O no hydrogen 2.705 N/A GLY 235.A N ILE 231.A O no hydrogen 2.934 N/A THR 236.A N ILE 257.A O no hydrogen 2.941 N/A THR 238.A N GLN 241.A OE1 no hydrogen 3.228 N/A GLN 241.A N THR 238.A OG1 no hydrogen 2.919 N/A ILE 242.A N THR 238.A O no hydrogen 2.640 N/A ARG 243.A N ARG 239.A O no hydrogen 2.898 N/A GLU 244.A N GLU 240.A O no hydrogen 3.493 N/A MET 245.A N ILE 242.A O no hydrogen 2.941 N/A ASN 246.A N ILE 242.A O no hydrogen 2.838 N/A ASN 246.A ND2 PHE 190.A O no hydrogen 2.222 N/A TYR 249.A N ASN 246.A O no hydrogen 3.373 N/A ILE 257.A N PRO 255.A O no hydrogen 2.549 N/A HIS 260.A N VAL 233.A O no hydrogen 3.106 N/A HIS 260.A ND1 PRO 261.A O no hydrogen 3.298 N/A LYS 264.A N PRO 261.A O no hydrogen 2.828 N/A VAL 265.A N TRP 262.A O no hydrogen 3.047 N/A THR 270.A N ARG 267.A O no hydrogen 3.040 N/A ILE 275.A N PRO 271.A O no hydrogen 2.983 N/A ALA 276.A N PRO 272.A O no hydrogen 2.841 N/A LEU 277.A N GLU 273.A O no hydrogen 2.986 N/A CYS 278.A N ALA 274.A O no hydrogen 2.979 N/A CYS 278.A SG GLY 205.A O no hydrogen 4.011 N/A SER 279.A N ILE 275.A O no hydrogen 2.894 N/A SER 279.A OG ILE 275.A O no hydrogen 2.598 N/A ARG 280.A N ALA 276.A O no hydrogen 3.283 N/A ARG 280.A N LEU 277.A O no hydrogen 3.004 N/A LEU 281.A N CYS 278.A O no hydrogen 3.383 N/A LEU 282.A N CYS 278.A O no hydrogen 3.226 N/A GLU 283.A N LEU 281.A O no hydrogen 2.885 N/A TYR 284.A OH GLY 235.A O no hydrogen 2.630 N/A ALA 288.A N THR 285.A O no hydrogen 2.875 N/A ARG 289.A NE GLU 283.A O no hydrogen 2.670 N/A ARG 289.A NH1 GLU 187.A OE2 no hydrogen 2.653 N/A ARG 289.A NH1 SER 198.A O no hydrogen 3.167 N/A ARG 289.A NH2 GLU 187.A OE1 no hydrogen 2.617 N/A ARG 289.A NH2 GLU 187.A OE2 no hydrogen 3.158 N/A ARG 289.A NH2 GLU 283.A O no hydrogen 3.151 N/A LEU 290.A N ARG 280.A O no hydrogen 3.055 N/A THR 291.A N GLU 294.A OE2 no hydrogen 2.859 N/A GLU 294.A N THR 291.A OG1 no hydrogen 3.242 N/A ALA 295.A N THR 291.A O no hydrogen 2.923 N/A CYS 296.A N PRO 292.A O no hydrogen 3.000 N/A CYS 296.A SG TYR 124.A O no hydrogen 3.723 N/A CYS 296.A SG PRO 292.A O no hydrogen 3.654 N/A ALA 297.A N LEU 293.A O no hydrogen 3.175 N/A ALA 297.A N GLU 294.A O no hydrogen 3.141 N/A HIS 298.A N ALA 295.A O no hydrogen 2.795 N/A PHE 300.A N HIS 298.A ND1 no hydrogen 2.849 N/A PHE 301.A N HIS 298.A O no hydrogen 2.851 N/A ASP 302.A N SER 299.A O no hydrogen 2.961 N/A LEU 304.A N PHE 301.A O no hydrogen 2.932 N/A ARG 305.A N ASP 302.A O no hydrogen 2.965 N/A ARG 305.A NH1 CYS 296.A O no hydrogen 3.241 N/A ARG 305.A NH2 ASP 302.A OD1 no hydrogen 2.930 N/A ASP 306.A N GLU 303.A O no hydrogen 2.996 N/A ASN 308.A N ASP 306.A OD1 no hydrogen 2.610 N/A VAL 309.A N ASP 306.A O no hydrogen 3.445 N/A LEU 311.A N ARG 315.A O no hydrogen 2.969 N/A ASN 313.A ND2 ASP 153.A O no hydrogen 2.985 N/A GLY 314.A N LEU 311.A O no hydrogen 2.727 N/A ARG 315.A N ASN 313.A OD1 no hydrogen 3.071 N/A PHE 323.A N PHE 321.A O no hydrogen 2.579 N/A GLN 326.A NE2 SER 135.A OG no hydrogen 3.350 N/A LEU 328.A N THR 324.A O no hydrogen 3.127 N/A LEU 328.A N THR 325.A O no hydrogen 3.220 N/A SER 329.A N GLN 326.A O no hydrogen 3.081 N/A SER 329.A OG GLN 326.A O no hydrogen 2.354 N/A ASN 331.A N LEU 328.A O no hydrogen 3.152 N/A LEU 334.A N ASN 331.A O no hydrogen 2.949 N/A ALA 335.A N PRO 332.A O no hydrogen 2.965 N/A ILE 337.A N LEU 334.A O no hydrogen 2.880 N/A LEU 338.A N LEU 334.A O no hydrogen 2.898 N/A ILE 339.A N ALA 335.A O no hydrogen 2.941 N/A