Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kk3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 PRO 116.A O no hydrogen 2.531 N/A VAL 5.A N THR 4.A OG1 no hydrogen 2.560 N/A LYS 10.A N ARG 80.A O no hydrogen 2.689 N/A MET 13.A N LYS 10.A O no hydrogen 2.901 N/A VAL 18.A N ASN 54.A O no hydrogen 2.876 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 2.480 N/A GLN 20.A NE2 VAL 57.A O no hydrogen 3.107 N/A LYS 27.A NZ GLU 381.A OE1 no hydrogen 2.898 N/A ILE 28.A N THR 24.A O no hydrogen 3.003 N/A ILE 28.A N GLU 25.A O no hydrogen 3.063 N/A LYS 29.A N GLU 25.A O no hydrogen 2.745 N/A ALA 30.A N GLU 26.A O no hydrogen 3.059 N/A VAL 32.A N ILE 28.A O no hydrogen 3.004 N/A GLU 33.A N LYS 29.A O no hydrogen 3.180 N/A ILE 34.A N ALA 30.A O no hydrogen 2.947 N/A CYS 35.A N LEU 31.A O no hydrogen 2.865 N/A CYS 35.A SG LEU 31.A O no hydrogen 2.998 N/A THR 36.A N VAL 32.A O no hydrogen 2.797 N/A THR 36.A OG1 VAL 32.A O no hydrogen 3.118 N/A THR 36.A OG1 GLU 33.A O no hydrogen 2.467 N/A GLU 37.A N GLU 33.A O no hydrogen 3.440 N/A MET 38.A N ILE 34.A O no hydrogen 3.170 N/A GLU 39.A N CYS 35.A O no hydrogen 3.047 N/A GLU 39.A N THR 36.A O no hydrogen 3.109 N/A LYS 40.A N THR 36.A O no hydrogen 3.048 N/A GLU 41.A N GLU 37.A O no hydrogen 2.903 N/A GLY 42.A N MET 38.A O no hydrogen 3.017 N/A LYS 43.A N MET 38.A O no hydrogen 2.800 N/A LYS 43.A NZ GLU 41.A OE2 no hydrogen 2.819 N/A ILE 44.A N MET 38.A O no hydrogen 3.176 N/A SER 45.A N GLN 142.A O no hydrogen 2.955 N/A LYS 46.A NZ TYR 141.A OH no hydrogen 3.253 N/A ILE 47.A N ARG 140.A O no hydrogen 2.856 N/A GLY 48.A N GLU 50.A OE1 no hydrogen 2.936 N/A ASN 51.A N GLY 48.A O no hydrogen 3.350 N/A ASN 51.A N GLU 50.A OE1 no hydrogen 3.163 N/A ASN 51.A ND2 LYS 123.A O no hydrogen 3.011 N/A TYR 53.A N ASN 51.A OD1 no hydrogen 2.976 N/A TYR 53.A OH ASP 14.A OD1 no hydrogen 2.740 N/A ASN 54.A N PRO 16.A O no hydrogen 2.916 N/A ASN 54.A ND2 VAL 18.A O no hydrogen 3.070 N/A THR 55.A N ALA 126.A O no hydrogen 2.883 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.873 N/A PHE 58.A N LEU 71.A O no hydrogen 3.232 N/A ILE 60.A N ARG 69.A O no hydrogen 2.838 N/A LYS 67.A N SER 65.A OG no hydrogen 2.963 N/A ARG 69.A N ILE 60.A O no hydrogen 2.590 N/A ARG 69.A NH1 ASP 107.A OD2 no hydrogen 3.302 N/A ARG 69.A NH2 ASP 182.A OD1 no hydrogen 3.040 N/A LYS 70.A NZ TYR 143.A OH no hydrogen 2.576 N/A LEU 71.A N PHE 58.A O no hydrogen 3.054 N/A ASP 73.A N PRO 56.A O no hydrogen 3.094 N/A PHE 74.A N VAL 72.A O no hydrogen 2.637 N/A ARG 75.A N ASP 73.A OD1 no hydrogen 3.329 N/A ARG 75.A NE ASP 73.A OD1 no hydrogen 2.736 N/A ARG 75.A NH2 ASP 73.A OD1 no hydrogen 3.340 N/A ARG 75.A NH2 ASP 73.A OD2 no hydrogen 2.826 N/A ASN 78.A N PHE 74.A O no hydrogen 2.747 N/A ASN 78.A ND2 GLY 149.A O no hydrogen 2.899 N/A LYS 79.A N ARG 75.A O no hydrogen 3.188 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.038 N/A ARG 80.A N LEU 77.A O no hydrogen 2.821 N/A ARG 80.A NE ASP 14.A O no hydrogen 2.730 N/A ARG 80.A NH1 GLU 76.A OE1 no hydrogen 2.615 N/A THR 81.A N LEU 77.A O no hydrogen 2.612 N/A THR 81.A N ASN 78.A O no hydrogen 3.210 N/A THR 81.A OG1 LEU 77.A O no hydrogen 2.832 N/A GLN 82.A N LYS 8.A O no hydrogen 3.015 N/A LEU 89.A N PHE 84.A O no hydrogen 3.179 N/A HIS 93.A NE2 VAL 358.A O no hydrogen 2.678 N/A LEU 97.A N PRO 94.A O no hydrogen 3.014 N/A LYS 98.A NZ ALA 95.A O no hydrogen 2.692 N/A LYS 99.A N GLY 96.A O no hydrogen 2.817 N/A SER 102.A N SER 188.A O no hydrogen 3.075 N/A SER 102.A OG HIS 215.A NE2 no hydrogen 3.116 N/A VAL 103.A N LEU 214.A O no hydrogen 3.107 N/A THR 104.A N VAL 186.A O no hydrogen 2.720 N/A THR 104.A OG1 HIS 195.A NE2 no hydrogen 3.006 N/A LEU 106.A N LEU 184.A O no hydrogen 2.861 N/A VAL 108.A N ASP 182.A O no hydrogen 3.194 N/A GLY 109.A N ASP 107.A OD1 no hydrogen 3.201 N/A ALA 111.A N VAL 108.A O no hydrogen 3.141 N/A TYR 112.A N GLY 109.A O no hydrogen 2.635 N/A TYR 112.A OH MET 181.A O no hydrogen 3.208 N/A SER 114.A OG ALA 111.A O no hydrogen 3.051 N/A VAL 115.A N TYR 112.A O no hydrogen 3.310 N/A LEU 117.A N ASN 144.A O no hydrogen 3.209 N/A ASP 120.A N ASP 118.A OD2 no hydrogen 3.188 N/A PHE 121.A N ASP 118.A O no hydrogen 3.320 N/A ARG 122.A NE ASN 144.A OD1 no hydrogen 3.039 N/A LYS 123.A NZ ASP 120.A O no hydrogen 3.365 N/A TYR 124.A N PHE 121.A O no hydrogen 3.270 N/A THR 125.A N ARG 122.A O no hydrogen 2.869 N/A THR 125.A OG1 ARG 122.A O no hydrogen 2.282 N/A ALA 126.A N LYS 123.A O no hydrogen 3.289 N/A PHE 127.A N TYR 141.A O no hydrogen 2.971 N/A THR 128.A OG1 ASN 54.A OD1 no hydrogen 2.517 N/A ILE 129.A N ILE 139.A O no hydrogen 3.152 N/A SER 131.A OG THR 136.A O no hydrogen 2.835 N/A ASN 134.A N SER 131.A O no hydrogen 3.431 N/A THR 136.A N SER 131.A OG no hydrogen 3.111 N/A THR 136.A OG1 PRO 137.A O no hydrogen 2.667 N/A ILE 139.A N ILE 129.A O no hydrogen 3.170 N/A ARG 140.A NE THR 128.A OG1 no hydrogen 3.088 N/A ARG 140.A NH1 GLY 48.A O no hydrogen 2.940 N/A ARG 140.A NH2 TYR 53.A O no hydrogen 2.191 N/A ARG 140.A NH2 ASN 54.A OD1 no hydrogen 3.138 N/A TYR 141.A N PHE 127.A O no hydrogen 2.929 N/A GLN 142.A N SER 45.A O no hydrogen 2.936 N/A TYR 143.A N THR 125.A OG1 no hydrogen 2.985 N/A ASN 144.A N LYS 43.A O no hydrogen 2.868 N/A ASN 144.A ND2 SER 45.A OG no hydrogen 2.589 N/A LEU 146.A N VAL 115.A O no hydrogen 2.756 N/A GLY 149.A N ASP 182.A OD2 no hydrogen 2.685 N/A TRP 150.A N PRO 147.A O no hydrogen 3.432 N/A TRP 150.A NE1 THR 81.A OG1 no hydrogen 2.928 N/A LYS 151.A N ASN 78.A OD1 no hydrogen 2.711 N/A LYS 151.A NZ THR 81.A O no hydrogen 2.983 N/A LYS 151.A NZ GLN 82.A O no hydrogen 3.084 N/A SER 153.A N TRP 150.A O no hydrogen 3.150 N/A SER 153.A OG PRO 147.A O no hydrogen 2.588 N/A ILE 156.A N SER 153.A O no hydrogen 3.384 N/A PHE 157.A N SER 153.A O no hydrogen 3.083 N/A MET 161.A N PHE 157.A O no hydrogen 2.888 N/A THR 162.A N GLN 158.A O no hydrogen 2.476 N/A THR 162.A OG1 GLN 158.A O no hydrogen 3.024 N/A THR 162.A OG1 SER 159.A O no hydrogen 2.512 N/A LYS 163.A N SER 159.A O no hydrogen 3.058 N/A ILE 164.A N SER 160.A O no hydrogen 2.755 N/A GLU 166.A N LYS 163.A O no hydrogen 2.570 N/A PHE 168.A N HIS 205.A NE2 no hydrogen 3.124 N/A ARG 169.A N LEU 165.A O no hydrogen 2.721 N/A ARG 169.A NH1 ILE 177.A O no hydrogen 3.438 N/A ARG 169.A NH2 ILE 177.A O no hydrogen 2.991 N/A LYS 170.A N GLU 166.A O no hydrogen 3.019 N/A GLN 171.A N PRO 167.A O no hydrogen 2.768 N/A ASN 172.A N ARG 169.A O no hydrogen 2.747 N/A ASN 172.A ND2 PHE 168.A O no hydrogen 2.590 N/A ILE 175.A N ASN 172.A O no hydrogen 3.039 N/A TYR 178.A N TYR 185.A O no hydrogen 2.777 N/A TYR 178.A OH GLY 361.A O no hydrogen 2.948 N/A ASP 183.A N TYR 180.A O no hydrogen 3.202 N/A LEU 184.A N LEU 106.A O no hydrogen 2.588 N/A TYR 185.A N TYR 178.A O no hydrogen 2.649 N/A VAL 186.A N THR 104.A O no hydrogen 3.236 N/A GLY 187.A N VAL 176.A O no hydrogen 3.301 N/A SER 188.A OG HIS 195.A ND1 no hydrogen 2.856 N/A HIS 195.A N GLU 191.A O no hydrogen 3.142 N/A HIS 195.A ND1 SER 188.A OG no hydrogen 2.856 N/A HIS 195.A NE2 THR 104.A OG1 no hydrogen 3.006 N/A THR 197.A N GLY 193.A O no hydrogen 3.418 N/A LYS 198.A N HIS 195.A O no hydrogen 2.618 N/A ILE 199.A N HIS 195.A O no hydrogen 2.905 N/A GLU 200.A N ARG 196.A O no hydrogen 3.045 N/A LEU 202.A N ILE 199.A O no hydrogen 2.668 N/A ARG 203.A N ILE 199.A O no hydrogen 3.146 N/A ARG 203.A NH1 GLU 200.A OE1 no hydrogen 3.509 N/A HIS 205.A N GLU 201.A O no hydrogen 3.440 N/A LEU 207.A N ARG 203.A O no hydrogen 2.430 N/A ARG 208.A N GLN 204.A O no hydrogen 3.310 N/A TRP 209.A N LEU 206.A O no hydrogen 2.381 N/A GLY 210.A N LEU 206.A O no hydrogen 2.859 N/A LYS 218.A N PRO 216.A O no hydrogen 2.513 N/A THR 220.A OG1 VAL 221.A O no hydrogen 3.154 N/A GLN 222.A N THR 331.A O no hydrogen 3.106 N/A GLU 228.A N GLU 228.A OE2 no hydrogen 3.189 N/A VAL 234.A N GLU 271.A O no hydrogen 2.967 N/A ASN 235.A N LEU 269.A O no hydrogen 2.923 N/A ASP 236.A N THR 233.A OG1 no hydrogen 3.173 N/A ILE 237.A N THR 233.A O no hydrogen 2.847 N/A GLN 238.A N VAL 234.A O no hydrogen 2.903 N/A LYS 239.A N ASN 235.A O no hydrogen 3.092 N/A LEU 240.A N ASP 236.A O no hydrogen 2.958 N/A VAL 241.A N ILE 237.A O no hydrogen 2.749 N/A GLY 242.A N LYS 239.A O no hydrogen 3.086 N/A LYS 243.A N LYS 239.A O no hydrogen 3.025 N/A LEU 244.A N LEU 240.A O no hydrogen 3.187 N/A ASN 245.A N VAL 241.A O no hydrogen 3.258 N/A TRP 246.A N GLY 242.A O no hydrogen 3.346 N/A ALA 247.A N LYS 243.A O no hydrogen 2.824 N/A SER 248.A N ASN 245.A O no hydrogen 3.088 N/A SER 248.A OG ASN 245.A O no hydrogen 3.120 N/A GLN 249.A N TRP 246.A O no hydrogen 2.712 N/A ILE 250.A N ALA 247.A O no hydrogen 2.938 N/A TYR 251.A N ALA 247.A O no hydrogen 2.824 N/A LYS 255.A N ASN 286.A OD1 no hydrogen 2.861 N/A GLN 258.A N GLU 282.A OE2 no hydrogen 3.274 N/A SER 260.A N VAL 256.A O no hydrogen 3.113 N/A SER 260.A OG VAL 256.A O no hydrogen 2.555 N/A LEU 262.A N LEU 259.A O no hydrogen 3.357 N/A LYS 267.A N GLY 265.A O no hydrogen 3.099 N/A LYS 267.A NZ ARG 264.A O no hydrogen 3.039 N/A GLU 271.A N ALA 268.A O no hydrogen 3.402 N/A ILE 273.A N TRP 232.A O no hydrogen 3.097 N/A GLU 278.A N GLU 278.A OE2 no hydrogen 2.749 N/A GLU 280.A N THR 276.A O no hydrogen 3.148 N/A LEU 281.A N GLU 277.A O no hydrogen 3.118 N/A GLU 282.A N ALA 279.A O no hydrogen 2.701 N/A LEU 283.A N ALA 279.A O no hydrogen 3.239 N/A ALA 284.A N GLU 280.A O no hydrogen 3.097 N/A ASN 286.A N GLU 282.A O no hydrogen 2.782 N/A ASN 286.A ND2 LYS 255.A O no hydrogen 2.575 N/A ARG 287.A N LEU 283.A O no hydrogen 2.884 N/A GLU 288.A N GLU 285.A O no hydrogen 2.560 N/A ILE 289.A N GLU 285.A O no hydrogen 3.270 N/A LEU 290.A N ASN 286.A O no hydrogen 3.275 N/A LYS 291.A N GLU 288.A O no hydrogen 2.842 N/A TYR 299.A OH TRP 360.A O no hydrogen 3.284 N/A ASP 300.A N GLN 323.A OE1 no hydrogen 3.028 N/A SER 302.A N ASP 300.A OD1 no hydrogen 2.956 N/A SER 302.A OG ASP 300.A OD1 no hydrogen 2.812 N/A LYS 303.A N ASP 300.A OD1 no hydrogen 3.417 N/A LYS 303.A NZ GLU 324.A OE2 no hydrogen 2.733 N/A ILE 306.A N TYR 322.A O no hydrogen 3.159 N/A ALA 307.A N LYS 365.A O no hydrogen 3.242 N/A GLU 308.A N GLN 320.A O no hydrogen 2.967 N/A GLN 310.A N THR 318.A O no hydrogen 2.959 N/A GLN 310.A NE2 GLN 320.A OE1 no hydrogen 3.066 N/A LYS 311.A NZ ASP 341.A OD1 no hydrogen 3.311 N/A LYS 311.A NZ ASP 341.A OD2 no hydrogen 2.569 N/A GLN 312.A N GLN 316.A O no hydrogen 3.000 N/A GLN 312.A NE2 LYS 401.A O no hydrogen 3.078 N/A GLN 316.A N GLY 313.A O no hydrogen 3.031 N/A TRP 317.A N TYR 334.A O no hydrogen 3.067 N/A THR 318.A N GLN 310.A O no hydrogen 3.075 N/A THR 318.A OG1 GLN 310.A OE1 no hydrogen 2.613 N/A TYR 319.A N GLY 332.A O no hydrogen 2.999 N/A GLN 320.A N GLU 308.A O no hydrogen 3.050 N/A GLN 320.A NE2 GLN 310.A OE1 no hydrogen 3.060 N/A ILE 321.A N LYS 330.A O no hydrogen 3.003 N/A TYR 322.A N ILE 306.A O no hydrogen 3.069 N/A TYR 322.A OH GLU 308.A OE2 no hydrogen 3.117 N/A GLN 323.A NE2 ASP 300.A O no hydrogen 3.140 N/A LYS 327.A N GLU 324.A O no hydrogen 2.784 N/A LYS 330.A NZ TRP 219.A O no hydrogen 2.836 N/A LYS 330.A NZ TYR 319.A OH no hydrogen 3.386 N/A LYS 330.A NZ GLU 355.A OE1 no hydrogen 3.521 N/A THR 331.A OG1 GLN 222.A O no hydrogen 2.883 N/A GLY 332.A N TYR 319.A O no hydrogen 2.865 N/A TYR 334.A N TRP 317.A O no hydrogen 2.783 N/A ARG 336.A N GLY 315.A O no hydrogen 2.678 N/A THR 339.A OG1 ARG 338.A O no hydrogen 2.660 N/A LYS 343.A N ASN 340.A OD1 no hydrogen 2.435 N/A GLN 344.A N ASN 340.A O no hydrogen 2.879 N/A LEU 345.A N ASP 341.A O no hydrogen 3.270 N/A THR 346.A N VAL 342.A O no hydrogen 3.004 N/A GLU 347.A N LYS 343.A O no hydrogen 2.937 N/A ALA 348.A N GLN 344.A O no hydrogen 2.865 N/A VAL 349.A N THR 346.A O no hydrogen 3.087 N/A GLN 350.A N THR 346.A O no hydrogen 3.289 N/A GLN 350.A N GLU 347.A O no hydrogen 2.983 N/A GLN 350.A NE2 THR 346.A O no hydrogen 3.579 N/A GLN 350.A NE2 TYR 382.A O no hydrogen 3.411 N/A LYS 351.A N GLU 347.A O no hydrogen 2.999 N/A ILE 352.A N ALA 348.A O no hydrogen 3.316 N/A THR 353.A N VAL 349.A O no hydrogen 3.231 N/A THR 353.A OG1 VAL 349.A O no hydrogen 2.395 N/A THR 354.A N GLN 350.A O no hydrogen 3.132 N/A THR 354.A OG1 GLN 350.A O no hydrogen 2.762 N/A GLU 355.A N LYS 351.A O no hydrogen 3.227 N/A SER 356.A N ILE 352.A O no hydrogen 2.902 N/A SER 356.A OG LYS 362.A O no hydrogen 3.202 N/A ILE 357.A N THR 353.A O no hydrogen 2.828 N/A VAL 358.A N THR 354.A O no hydrogen 2.699 N/A ILE 359.A N GLU 355.A O no hydrogen 2.612 N/A TRP 360.A N SER 356.A O no hydrogen 2.508 N/A GLY 361.A N SER 356.A O no hydrogen 2.968 N/A LYS 362.A NZ PRO 301.A O no hydrogen 2.991 N/A LYS 362.A NZ LYS 303.A O no hydrogen 3.094 N/A LYS 365.A N LEU 305.A O no hydrogen 2.722 N/A PHE 366.A N GLU 390.A O no hydrogen 3.114 N/A LYS 367.A N ALA 307.A O no hydrogen 3.190 N/A LEU 368.A N GLU 392.A O no hydrogen 2.875 N/A THR 374.A OG1 GLN 371.A OE1 no hydrogen 3.100 N/A TRP 375.A N GLN 371.A O no hydrogen 3.018 N/A GLU 376.A N LYS 372.A O no hydrogen 2.913 N/A THR 377.A N GLU 373.A O no hydrogen 2.983 N/A THR 377.A OG1 GLU 373.A O no hydrogen 2.904 N/A TRP 379.A N TRP 375.A O no hydrogen 3.019 N/A GLU 381.A N TRP 378.A O no hydrogen 3.177 N/A TYR 382.A N TRP 379.A O no hydrogen 3.301 N/A TRP 383.A NE1 TRP 387.A O no hydrogen 3.142 N/A THR 386.A OG1 ASP 183.A OD1 no hydrogen 3.328 N/A GLU 392.A N PHE 366.A O no hydrogen 2.853 N/A VAL 394.A N LEU 368.A O no hydrogen 2.635 N/A THR 396.A OG1 PRO 397.A O no hydrogen 2.786 N/A LEU 402.A N LEU 399.A O no hydrogen 2.591 N/A TRP 403.A N VAL 400.A O no hydrogen 3.390 N/A GLN 405.A NE2 LEU 406.A O no hydrogen 3.276 N/A