Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N SER 81.A O no hydrogen 3.095 N/A ILE 5.A N ASN 83.A O no hydrogen 2.809 N/A ILE 6.A N ASN 9.A OD1 no hydrogen 3.138 N/A ARG 7.A N SER 123.A O no hydrogen 2.844 N/A ARG 7.A NE GLY 124.A O no hydrogen 2.756 N/A ARG 7.A NH2 GLY 124.A O no hydrogen 2.981 N/A ASN 9.A ND2 GLU 4.A O no hydrogen 3.134 N/A PHE 10.A N ARG 7.A O no hydrogen 3.229 N/A ASN 13.A N PHE 10.A O no hydrogen 3.232 N/A ASN 13.A ND2 ASN 9.A O no hydrogen 2.883 N/A LEU 14.A N PHE 10.A O no hydrogen 2.936 N/A LEU 14.A N LYS 11.A O no hydrogen 3.340 N/A LYS 16.A NZ ASN 13.A OD1 no hydrogen 3.123 N/A TYR 18.A N LEU 14.A O no hydrogen 3.080 N/A GLN 19.A N HIS 15.A O no hydrogen 2.889 N/A GLN 19.A NE2 GLU 23.A OE2 no hydrogen 2.687 N/A ALA 20.A N LYS 16.A O no hydrogen 3.253 N/A ILE 21.A N VAL 17.A O no hydrogen 3.001 N/A GLU 22.A N TYR 18.A O no hydrogen 2.865 N/A GLU 23.A N GLN 19.A O no hydrogen 2.733 N/A ALA 24.A N ILE 21.A O no hydrogen 3.386 N/A ASP 25.A N PHE 68.A O no hydrogen 2.609 N/A PHE 26.A N PHE 68.A O no hydrogen 3.359 N/A PHE 27.A N LEU 169.A O no hydrogen 3.063 N/A ALA 28.A N CYS 66.A O no hydrogen 2.803 N/A ILE 29.A N VAL 171.A O no hydrogen 2.872 N/A ASP 30.A N GLY 64.A O no hydrogen 3.157 N/A GLY 31.A N ASP 178.A OD1 no hydrogen 2.848 N/A GLU 32.A N GLN 62.A O no hydrogen 2.860 N/A SER 34.A N LEU 59.A O no hydrogen 2.640 N/A SER 34.A OG VAL 101.A O no hydrogen 2.606 N/A GLY 40.A N ARG 299.A O no hydrogen 3.392 N/A THR 43.A N GLU 46.A OE2 no hydrogen 2.710 N/A GLU 46.A N THR 43.A OG1 no hydrogen 2.896 N/A ARG 47.A N THR 43.A O no hydrogen 2.809 N/A ARG 47.A NH1 MET 298.A O no hydrogen 2.661 N/A ARG 47.A NH2 ARG 299.A O no hydrogen 3.225 N/A TYR 48.A N PRO 44.A O no hydrogen 2.667 N/A TYR 48.A OH PRO 191.A O no hydrogen 2.639 N/A GLN 49.A N GLU 45.A O no hydrogen 2.987 N/A GLN 49.A NE2 ALA 192.A O no hydrogen 2.899 N/A LYS 50.A N GLU 46.A O no hydrogen 3.069 N/A LEU 51.A N ARG 47.A O no hydrogen 3.036 N/A LYS 52.A N TYR 48.A O no hydrogen 2.694 N/A LYS 53.A N GLN 49.A O no hydrogen 2.773 N/A SER 55.A N LEU 51.A O no hydrogen 2.992 N/A SER 55.A OG ILE 36.A O no hydrogen 2.821 N/A PHE 58.A N SER 55.A O no hydrogen 3.209 N/A LEU 60.A N GLN 185.A OE1 no hydrogen 2.949 N/A PHE 61.A N GLU 32.A O no hydrogen 3.054 N/A GLN 62.A NE2 TYR 85.A OH no hydrogen 3.209 N/A PHE 63.A N PHE 84.A O no hydrogen 2.817 N/A GLY 64.A N ASP 30.A O no hydrogen 2.667 N/A LEU 65.A N PHE 82.A O no hydrogen 3.055 N/A CYS 66.A N ALA 28.A O no hydrogen 2.816 N/A CYS 66.A SG LYS 80.A O no hydrogen 3.666 N/A ALA 67.A N LYS 80.A O no hydrogen 2.668 N/A PHE 68.A N PHE 26.A O no hydrogen 2.857 N/A LYS 69.A N VAL 78.A O no hydrogen 3.001 N/A TYR 70.A N ASP 25.A OD2 no hydrogen 2.467 N/A ASP 71.A N LYS 76.A O no hydrogen 2.981 N/A THR 73.A OG1 ASP 71.A OD1 no hydrogen 3.469 N/A THR 73.A OG1 ASP 71.A OD2 no hydrogen 2.810 N/A THR 73.A OG1 ASP 74.A OD2 no hydrogen 2.958 N/A ASP 74.A N ASP 71.A OD1 no hydrogen 2.785 N/A LYS 76.A NZ ASP 74.A OD1 no hydrogen 2.821 N/A LYS 76.A NZ GLU 247.A OE1 no hydrogen 2.663 N/A HIS 77.A N LYS 245.A O no hydrogen 3.306 N/A VAL 78.A N LYS 69.A O no hydrogen 2.867 N/A THR 79.A N GLU 247.A O no hydrogen 2.781 N/A THR 79.A OG1 GLU 247.A O no hydrogen 3.294 N/A LYS 80.A N ALA 67.A O no hydrogen 3.016 N/A LYS 80.A NZ GLU 23.A OE1 no hydrogen 2.765 N/A PHE 82.A N LEU 65.A O no hydrogen 2.728 N/A ASN 83.A N MET 3.A O no hydrogen 2.646 N/A PHE 84.A N PHE 63.A O no hydrogen 2.939 N/A TYR 85.A N ILE 5.A O no hydrogen 3.249 N/A TYR 85.A OH GLU 4.A OE1 no hydrogen 2.667 N/A VAL 86.A N PHE 61.A O no hydrogen 2.971 N/A PHE 87.A N ILE 125.A O no hydrogen 2.808 N/A LYS 89.A N PHE 87.A O no hydrogen 2.626 N/A SER 92.A OG SER 94.A OG no hydrogen 3.347 N/A SER 94.A N SER 92.A OG no hydrogen 3.070 N/A SER 94.A OG SER 92.A OG no hydrogen 3.347 N/A SER 95.A N SER 92.A OG no hydrogen 2.712 N/A LYS 99.A NZ ASP 97.A O no hydrogen 2.641 N/A VAL 101.A N ASP 57.A O no hydrogen 2.795 N/A CYS 102.A SG SER 34.A OG no hydrogen 3.422 N/A GLN 103.A N SER 34.A O no hydrogen 3.132 N/A ILE 107.A N GLN 103.A O no hydrogen 2.920 N/A ASP 108.A N SER 104.A O no hydrogen 2.693 N/A PHE 109.A N SER 105.A O no hydrogen 2.502 N/A LEU 110.A N SER 106.A O no hydrogen 2.941 N/A ALA 111.A N ILE 107.A O no hydrogen 2.861 N/A SER 112.A N ASP 108.A O no hydrogen 3.086 N/A SER 112.A OG PHE 109.A O no hydrogen 2.261 N/A GLN 113.A N LEU 110.A O no hydrogen 3.031 N/A GLY 114.A N ALA 111.A O no hydrogen 3.065 N/A PHE 115.A N LEU 110.A O no hydrogen 3.243 N/A LYS 119.A N ASP 116.A O no hydrogen 3.048 N/A VAL 120.A N PHE 117.A O no hydrogen 2.810 N/A PHE 121.A N PHE 117.A O no hydrogen 2.811 N/A CYS 122.A N ASN 118.A O no hydrogen 2.696 N/A ILE 125.A N TYR 85.A O no hydrogen 2.662 N/A ASN 129.A N GLU 132.A OE1 no hydrogen 3.367 N/A GLN 130.A N TYR 187.A O no hydrogen 2.946 N/A GLU 133.A N ASN 129.A O no hydrogen 3.238 N/A ARG 134.A N GLN 130.A O no hydrogen 3.031 N/A ARG 134.A NE GLU 131.A OE2 no hydrogen 3.433 N/A GLN 135.A N GLU 131.A O no hydrogen 2.759 N/A LEU 136.A N GLU 132.A O no hydrogen 3.235 N/A ARG 137.A N ARG 134.A O no hydrogen 2.673 N/A GLN 139.A N GLN 135.A O no hydrogen 3.205 N/A PHE 140.A N LEU 136.A O no hydrogen 3.267 N/A GLU 148.A N LYS 145.A O no hydrogen 2.814 N/A GLU 149.A N GLU 146.A O no hydrogen 2.534 N/A LEU 150.A N GLU 146.A O no hydrogen 2.942 N/A ASN 151.A ND2 GLU 148.A OE2 no hydrogen 2.467 N/A ALA 153.A N GLU 149.A O no hydrogen 3.251 N/A ALA 153.A N LEU 150.A O no hydrogen 3.233 N/A VAL 154.A N LEU 150.A O no hydrogen 3.287 N/A PHE 156.A N PRO 126.A O no hydrogen 2.867 N/A SER 157.A N VAL 154.A O no hydrogen 2.925 N/A SER 157.A OG LEU 128.A O no hydrogen 2.412 N/A ARG 158.A N GLY 155.A O no hydrogen 3.080 N/A ARG 158.A NH1 ASN 151.A O no hydrogen 3.126 N/A VAL 159.A N PHE 156.A O no hydrogen 2.830 N/A HIS 161.A N SER 157.A O no hydrogen 2.827 N/A ALA 162.A N ARG 158.A O no hydrogen 2.967 N/A ILE 163.A N VAL 159.A O no hydrogen 3.052 N/A ALA 164.A N ILE 160.A O no hydrogen 2.835 N/A ASN 165.A N HIS 161.A O no hydrogen 2.945 N/A ASN 165.A N ALA 162.A O no hydrogen 3.260 N/A SER 166.A N ALA 162.A O no hydrogen 3.090 N/A SER 166.A OG ALA 162.A O no hydrogen 3.503 N/A SER 166.A OG ILE 163.A O no hydrogen 2.512 N/A LYS 168.A NZ ILE 21.A O no hydrogen 3.175 N/A LYS 168.A NZ GLU 22.A O no hydrogen 2.552 N/A LYS 168.A NZ ALA 24.A O no hydrogen 2.711 N/A VAL 170.A N ARG 207.A O no hydrogen 2.818 N/A VAL 171.A N PHE 27.A O no hydrogen 2.904 N/A GLY 172.A N LEU 209.A O no hydrogen 3.014 N/A HIS 173.A ND1 THR 211.A OG1 no hydrogen 3.072 N/A ASN 174.A N ASP 210.A OD1 no hydrogen 2.979 N/A MET 175.A N ASP 210.A OD2 no hydrogen 3.058 N/A VAL 179.A N MET 175.A O no hydrogen 2.822 N/A MET 180.A N LEU 176.A O no hydrogen 2.949 N/A HIS 181.A N LEU 177.A O no hydrogen 2.932 N/A THR 182.A N ASP 178.A O no hydrogen 3.083 N/A THR 182.A OG1 ASP 178.A O no hydrogen 2.607 N/A ILE 183.A N VAL 179.A O no hydrogen 3.113 N/A HIS 184.A N MET 180.A O no hydrogen 3.000 N/A GLN 185.A N HIS 181.A O no hydrogen 2.665 N/A PHE 186.A N THR 182.A O no hydrogen 3.063 N/A TYR 187.A N ILE 183.A O no hydrogen 2.707 N/A CYS 188.A N ILE 183.A O no hydrogen 2.916 N/A CYS 188.A SG PRO 189.A O no hydrogen 3.457 N/A LEU 194.A N GLU 45.A OE1 no hydrogen 2.831 N/A PHE 197.A N ASP 193.A O no hydrogen 3.158 N/A PHE 197.A N LEU 194.A O no hydrogen 2.783 N/A LYS 198.A N LEU 194.A O no hydrogen 2.861 N/A GLU 199.A N ASN 195.A O no hydrogen 3.268 N/A MET 200.A N GLU 196.A O no hydrogen 3.357 N/A ALA 201.A N PHE 197.A O no hydrogen 2.675 N/A ILE 202.A N LYS 198.A O no hydrogen 3.220 N/A CYS 203.A N MET 200.A O no hydrogen 3.354 N/A CYS 203.A SG GLU 199.A O no hydrogen 3.085 N/A CYS 203.A SG MET 200.A O no hydrogen 3.954 N/A VAL 204.A N ALA 201.A O no hydrogen 3.267 N/A PHE 205.A N ALA 201.A O no hydrogen 2.943 N/A LEU 208.A N ASN 293.A OD1 no hydrogen 2.530 N/A LEU 209.A N VAL 170.A O no hydrogen 3.041 N/A THR 211.A N GLY 172.A O no hydrogen 2.768 N/A THR 211.A OG1 GLY 172.A O no hydrogen 3.099 N/A THR 211.A OG1 HIS 173.A ND1 no hydrogen 3.072 N/A LYS 212.A NZ THR 227.A O no hydrogen 3.230 N/A LYS 212.A NZ THR 227.A OG1 no hydrogen 3.233 N/A LEU 213.A N ASP 210.A O no hydrogen 3.054 N/A LEU 213.A N ASP 210.A OD1 no hydrogen 3.351 N/A MET 214.A N ASP 210.A O no hydrogen 3.219 N/A ALA 215.A N THR 211.A O no hydrogen 2.883 N/A SER 216.A N LEU 213.A O no hydrogen 2.939 N/A SER 216.A OG LYS 212.A O no hydrogen 2.967 N/A SER 216.A OG LEU 213.A O no hydrogen 2.924 N/A THR 217.A N MET 214.A O no hydrogen 2.984 N/A THR 217.A OG1 LEU 213.A O no hydrogen 3.438 N/A THR 217.A OG1 MET 214.A O no hydrogen 3.114 N/A LYS 221.A N THR 217.A O no hydrogen 2.848 N/A LYS 221.A NZ TYR 335.A OH no hydrogen 3.103 N/A LYS 221.A NZ ILE 344.A O no hydrogen 2.557 N/A ASP 222.A N PRO 219.A O no hydrogen 3.379 N/A ILE 223.A N PHE 220.A O no hydrogen 3.069 N/A ILE 224.A N PHE 220.A O no hydrogen 2.886 N/A LEU 232.A N SER 228.A O no hydrogen 2.688 N/A GLU 233.A N LEU 229.A O no hydrogen 2.937 N/A ARG 235.A N GLU 231.A O no hydrogen 3.080 N/A ARG 235.A NH1 ILE 223.A O no hydrogen 3.118 N/A ARG 235.A NH2 THR 239.A O no hydrogen 2.728 N/A LEU 236.A N LEU 232.A O no hydrogen 3.205 N/A LYS 237.A N LYS 234.A O no hydrogen 3.083 N/A LYS 237.A NZ GLU 233.A OE2 no hydrogen 3.375 N/A PHE 241.A N GLU 238.A O no hydrogen 2.983 N/A GLU 247.A N HIS 77.A O no hydrogen 2.977 N/A ALA 249.A N THR 79.A O no hydrogen 3.106 N/A PHE 252.A N ALA 249.A O no hydrogen 3.251 N/A TYR 255.A OH GLU 260.A OE1 no hydrogen 2.497 N/A HIS 259.A N GLN 113.A OE1 no hydrogen 3.184 N/A HIS 259.A ND1 ASP 264.A OD1 no hydrogen 3.324 N/A ALA 261.A N GLN 62.A OE1 no hydrogen 3.147 N/A ASP 264.A N GLU 260.A O no hydrogen 3.132 N/A ALA 265.A N ALA 261.A O no hydrogen 2.948 N/A TYR 266.A N GLY 262.A O no hydrogen 2.941 N/A ILE 267.A N TYR 263.A O no hydrogen 2.832 N/A THR 268.A N ASP 264.A O no hydrogen 2.693 N/A THR 268.A OG1 ASP 264.A O no hydrogen 2.902 N/A GLY 269.A N ALA 265.A O no hydrogen 2.743 N/A LEU 270.A N TYR 266.A O no hydrogen 3.265 N/A CYS 271.A N ILE 267.A O no hydrogen 2.954 N/A CYS 271.A SG ILE 267.A O no hydrogen 3.852 N/A PHE 272.A N THR 268.A O no hydrogen 3.039 N/A ILE 273.A N GLY 269.A O no hydrogen 3.006 N/A SER 274.A N LEU 270.A O no hydrogen 3.022 N/A SER 274.A OG LEU 236.A O no hydrogen 3.261 N/A SER 274.A OG ASP 242.A O no hydrogen 3.172 N/A MET 275.A N CYS 271.A O no hydrogen 2.965 N/A ALA 276.A N PHE 272.A O no hydrogen 2.867 N/A ASN 277.A N ILE 273.A O no hydrogen 2.894 N/A TYR 278.A N SER 274.A O no hydrogen 3.075 N/A LEU 279.A N MET 275.A O no hydrogen 3.238 N/A GLY 280.A N ALA 276.A O no hydrogen 3.265 N/A SER 281.A OG TYR 278.A O no hydrogen 2.629 N/A LYS 286.A NZ GLU 289.A OE2 no hydrogen 3.067 N/A LEU 287.A N SER 285.A OG no hydrogen 2.556 N/A PHE 291.A N ILE 288.A O no hydrogen 2.853 N/A PHE 292.A N GLU 289.A O no hydrogen 2.775 N/A ASN 293.A N LEU 208.A O no hydrogen 2.723 N/A ASN 293.A ND2 PRO 206.A O no hydrogen 3.002 N/A ASN 293.A ND2 GLU 309.A OE2 no hydrogen 2.950 N/A LYS 294.A NZ PRO 290.A O no hydrogen 2.714 N/A LEU 295.A N LEU 306.A O no hydrogen 2.772 N/A PHE 296.A N ASP 210.A OD2 no hydrogen 3.255 N/A VAL 300.A N SER 347.A OG no hydrogen 3.205 N/A MET 301.A N GLY 40.A O no hydrogen 3.274 N/A LEU 306.A N LEU 295.A O no hydrogen 2.560 N/A ASN 307.A N ASP 312.A OD1 no hydrogen 2.586 N/A LEU 308.A N ASN 293.A O no hydrogen 3.001 N/A HIS 319.A N ARG 317.A O no hydrogen 2.391 N/A VAL 320.A N ARG 317.A O no hydrogen 2.766 N/A LEU 321.A N VAL 356.A O no hydrogen 2.910 N/A VAL 323.A N ALA 354.A O no hydrogen 3.021 N/A THR 324.A N ARG 378.A O no hydrogen 3.369 N/A PHE 325.A N THR 352.A O no hydrogen 2.962 N/A LYS 327.A NZ GLU 328.A OE2 no hydrogen 2.995 N/A TRP 329.A N PRO 326.A O no hydrogen 2.980 N/A LYS 330.A N ASP 333.A OD1 no hydrogen 2.983 N/A THR 331.A OG1 ASN 225.A O no hydrogen 2.829 N/A ASP 333.A N LYS 330.A O no hydrogen 2.840 N/A LEU 334.A N THR 331.A O no hydrogen 2.810 N/A TYR 335.A N THR 331.A O no hydrogen 3.308 N/A GLN 336.A N SER 332.A O no hydrogen 2.980 N/A LEU 337.A N ASP 333.A O no hydrogen 3.047 N/A PHE 338.A N LEU 334.A O no hydrogen 3.292 N/A SER 339.A N GLN 336.A O no hydrogen 3.255 N/A SER 339.A OG GLN 336.A O no hydrogen 2.878 N/A PHE 341.A N PHE 338.A O no hydrogen 3.246 N/A GLY 342.A N SER 339.A O no hydrogen 3.335 N/A GLN 345.A N SER 357.A O no hydrogen 3.395 N/A SER 347.A N PHE 355.A O no hydrogen 2.951 N/A SER 347.A OG VAL 300.A O no hydrogen 3.227 N/A ILE 349.A N SER 353.A O no hydrogen 2.953 N/A ASP 350.A N SER 353.A O no hydrogen 2.870 N/A THR 352.A OG1 ASP 350.A OD1 no hydrogen 3.097 N/A ALA 354.A N VAL 323.A O no hydrogen 3.212 N/A PHE 355.A N SER 347.A O no hydrogen 3.041 N/A VAL 356.A N LEU 321.A O no hydrogen 2.929 N/A SER 357.A N GLN 345.A O no hydrogen 3.021 N/A SER 357.A OG ASP 302.A OD1 no hydrogen 3.125 N/A SER 357.A OG GLN 345.A O no hydrogen 3.461 N/A LEU 358.A N HIS 319.A O no hydrogen 2.686 N/A SER 359.A OG ASN 343.A O no hydrogen 3.478 N/A GLN 363.A N GLN 360.A O no hydrogen 2.880 N/A VAL 364.A N GLN 360.A O no hydrogen 3.408 N/A ILE 366.A N GLU 362.A O no hydrogen 3.378 N/A ALA 367.A N GLN 363.A O no hydrogen 3.167 N/A VAL 368.A N VAL 364.A O no hydrogen 3.285 N/A ASN 369.A N GLN 365.A O no hydrogen 3.174 N/A THR 370.A N ILE 366.A O no hydrogen 2.919 N/A THR 370.A OG1 ILE 366.A O no hydrogen 3.277 N/A SER 371.A N ALA 367.A O no hydrogen 3.068 N/A SER 371.A OG ALA 367.A O no hydrogen 3.454 N/A SER 371.A OG VAL 368.A O no hydrogen 2.522 N/A LYS 372.A N ASN 369.A O no hydrogen 3.422 N/A LYS 372.A NZ ASN 369.A OD1 no hydrogen 3.087 N/A TYR 373.A N THR 370.A O no hydrogen 2.885 N/A ALA 374.A N SER 371.A O no hydrogen 3.201 N/A ARG 378.A N THR 324.A O no hydrogen 3.196 N/A