Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kr9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N LEU 73.A O no hydrogen 2.569 N/A ARG 3.A NH1 GLU 51.A OE1 no hydrogen 2.922 N/A VAL 4.A N GLY 71.A O no hydrogen 2.952 N/A TYR 5.A N ILE 47.A O no hydrogen 3.015 N/A ILE 6.A N SER 69.A O no hydrogen 2.933 N/A VAL 7.A N PHE 45.A O no hydrogen 2.994 N/A ARG 8.A N ASN 67.A O no hydrogen 2.786 N/A ARG 8.A NE ASN 67.A OD1 no hydrogen 2.883 N/A TYR 9.A OH GLU 23.A OE1 no hydrogen 2.995 N/A ASN 18.A ND2 LYS 15.A O no hydrogen 3.513 N/A LYS 20.A N GLY 16.A O no hydrogen 3.351 N/A LYS 20.A N LYS 17.A O no hydrogen 2.872 N/A ASP 21.A N LYS 17.A O no hydrogen 3.048 N/A PHE 22.A N ASN 18.A O no hydrogen 2.928 N/A GLU 24.A N LYS 20.A O no hydrogen 2.968 N/A ALA 25.A N ASP 21.A O no hydrogen 2.972 N/A LEU 26.A N PHE 22.A O no hydrogen 2.933 N/A ARG 27.A N GLU 23.A O no hydrogen 2.984 N/A ARG 27.A NE VAL 38.A O no hydrogen 3.355 N/A ARG 27.A NH2 VAL 38.A O no hydrogen 3.345 N/A ARG 28.A N GLU 24.A O no hydrogen 2.974 N/A ASN 29.A N ALA 25.A O no hydrogen 2.979 N/A ILE 30.A N LEU 26.A O no hydrogen 2.960 N/A GLU 31.A N ARG 27.A O no hydrogen 3.029 N/A ARG 32.A N ARG 28.A O no hydrogen 2.899 N/A ARG 32.A NH1 GLY 230.A O no hydrogen 3.515 N/A VAL 33.A N ASN 29.A O no hydrogen 2.995 N/A THR 34.A N ILE 30.A O no hydrogen 3.021 N/A THR 34.A OG1 ILE 30.A O no hydrogen 2.257 N/A GLY 35.A N GLU 31.A O no hydrogen 2.412 N/A VAL 38.A N GLU 31.A OE2 no hydrogen 3.305 N/A LYS 39.A N LEU 46.A O no hydrogen 2.955 N/A GLN 41.A N ARG 44.A O no hydrogen 3.214 N/A ARG 44.A N GLN 41.A O no hydrogen 2.863 N/A ARG 44.A NH2 GLU 148.A OE1 no hydrogen 2.729 N/A PHE 45.A N VAL 7.A O no hydrogen 2.995 N/A LEU 46.A N LYS 39.A O no hydrogen 3.008 N/A ILE 47.A N TYR 5.A O no hydrogen 2.983 N/A ILE 49.A N ARG 3.A O no hydrogen 2.988 N/A THR 54.A OG1 ASP 56.A OD1 no hydrogen 3.020 N/A LEU 55.A N TYR 5.A OH no hydrogen 3.061 N/A LEU 59.A N LEU 55.A O no hydrogen 2.702 N/A LYS 60.A N ASP 56.A O no hydrogen 3.037 N/A LYS 61.A N LYS 58.A O no hydrogen 3.239 N/A ILE 62.A N LEU 59.A O no hydrogen 2.979 N/A GLY 64.A N GLY 165.A O no hydrogen 2.975 N/A ILE 65.A N ILE 62.A O no hydrogen 3.403 N/A GLN 66.A N ARG 8.A O no hydrogen 2.836 N/A ASN 67.A N ARG 8.A O no hydrogen 3.331 N/A ASN 67.A ND2 GLU 162.A OE2 no hydrogen 3.435 N/A PHE 68.A N VAL 161.A O no hydrogen 2.999 N/A SER 69.A N ILE 6.A O no hydrogen 3.003 N/A SER 69.A OG ASP 159.A O no hydrogen 3.146 N/A LYS 70.A NZ TYR 5.A OH no hydrogen 3.419 N/A GLY 71.A N VAL 4.A O no hydrogen 3.037 N/A PHE 72.A N ILE 156.A O no hydrogen 2.992 N/A LEU 73.A N LEU 2.A O no hydrogen 3.012 N/A VAL 74.A N VAL 154.A O no hydrogen 2.947 N/A GLU 80.A N ASP 77.A OD1 no hydrogen 2.692 N/A VAL 81.A N ASP 77.A O no hydrogen 3.212 N/A LYS 82.A N PHE 78.A O no hydrogen 3.014 N/A LYS 82.A NZ GLU 79.A OE1 no hydrogen 3.437 N/A LYS 83.A N GLU 79.A O no hydrogen 3.002 N/A LYS 83.A NZ GLU 80.A OE1 no hydrogen 3.209 N/A TYR 84.A N GLU 80.A O no hydrogen 2.984 N/A SER 85.A N VAL 81.A O no hydrogen 2.957 N/A SER 85.A OG VAL 81.A O no hydrogen 2.728 N/A LEU 86.A N LYS 82.A O no hydrogen 3.047 N/A ILE 87.A N LYS 83.A O no hydrogen 3.016 N/A ALA 88.A N TYR 84.A O no hydrogen 2.976 N/A VAL 89.A N SER 85.A O no hydrogen 3.036 N/A LYS 90.A N LEU 86.A O no hydrogen 2.981 N/A LYS 90.A NZ GLU 94.A OE2 no hydrogen 2.651 N/A GLU 91.A N ILE 87.A O no hydrogen 3.050 N/A LYS 92.A N ALA 88.A O no hydrogen 3.001 N/A LYS 92.A NZ TYR 98.A OH no hydrogen 2.771 N/A LYS 92.A NZ ASP 159.A OD2 no hydrogen 2.606 N/A LEU 93.A N VAL 89.A O no hydrogen 3.015 N/A GLU 94.A N LYS 90.A O no hydrogen 3.087 N/A LYS 95.A N GLU 91.A O no hydrogen 3.019 N/A GLY 96.A N LYS 92.A O no hydrogen 3.505 N/A ARG 99.A N ASP 142.A OD1 no hydrogen 3.445 N/A PHE 101.A N SER 135.A O no hydrogen 3.158 N/A LYS 102.A N PHE 143.A O no hydrogen 3.313 N/A GLN 104.A N LEU 145.A O no hydrogen 2.976 N/A ALA 105.A N ASN 120.A OD1 no hydrogen 3.022 N/A LYS 106.A N VAL 147.A O no hydrogen 2.911 N/A LYS 107.A NZ LYS 114.A O no hydrogen 3.384 N/A ALA 108.A N VAL 149.A O no hydrogen 3.025 N/A TYR 109.A N VAL 149.A O no hydrogen 3.015 N/A TYR 112.A N TYR 109.A O no hydrogen 2.732 N/A TYR 112.A OH HIS 76.A O no hydrogen 2.882 N/A LYS 114.A NZ GLU 118.A OE1 no hydrogen 2.982 N/A LYS 114.A NZ GLU 122.A OE2 no hydrogen 3.327 N/A GLY 115.A N GLU 118.A OE2 no hydrogen 3.422 N/A ILE 119.A N GLY 115.A O no hydrogen 2.939 N/A ASN 120.A N VAL 116.A O no hydrogen 3.029 N/A SER 121.A N TYR 117.A O no hydrogen 3.002 N/A SER 121.A OG TYR 117.A O no hydrogen 3.397 N/A GLU 122.A N GLU 118.A O no hydrogen 2.981 N/A LEU 123.A N ILE 119.A O no hydrogen 3.030 N/A GLY 124.A N ASN 120.A O no hydrogen 2.971 N/A ALA 125.A N SER 121.A O no hydrogen 2.973 N/A LEU 126.A N GLU 122.A O no hydrogen 2.999 N/A ILE 127.A N LEU 123.A O no hydrogen 2.975 N/A LEU 128.A N GLY 124.A O no hydrogen 3.028 N/A LYS 129.A N ALA 125.A O no hydrogen 2.966 N/A ASN 130.A N LEU 126.A O no hydrogen 3.066 N/A ASN 130.A ND2 LEU 126.A O no hydrogen 2.965 N/A PHE 131.A N ILE 127.A O no hydrogen 2.862 N/A LEU 134.A N PHE 131.A O no hydrogen 2.947 N/A SER 135.A N ARG 99.A O no hydrogen 3.134 N/A SER 135.A OG ARG 99.A O no hydrogen 3.200 N/A ASP 137.A N PHE 101.A O no hydrogen 2.818 N/A ARG 139.A N ASP 137.A OD1 no hydrogen 3.282 N/A ASN 140.A N ASP 137.A OD1 no hydrogen 3.326 N/A ASP 142.A N THR 100.A O no hydrogen 2.725 N/A PHE 143.A N THR 100.A O no hydrogen 3.275 N/A LEU 145.A N LYS 102.A O no hydrogen 2.993 N/A GLY 146.A N PHE 157.A O no hydrogen 2.960 N/A VAL 147.A N GLN 104.A O no hydrogen 3.393 N/A GLU 148.A N LEU 155.A O no hydrogen 2.980 N/A VAL 149.A N LYS 106.A O no hydrogen 2.753 N/A GLU 152.A N GLU 152.A OE2 no hydrogen 2.604 N/A GLY 153.A N ARG 150.A O no hydrogen 2.986 N/A VAL 154.A N VAL 74.A O no hydrogen 2.875 N/A LEU 155.A N GLU 148.A O no hydrogen 2.951 N/A ILE 156.A N PHE 72.A O no hydrogen 2.978 N/A PHE 157.A N GLY 146.A O no hydrogen 3.054 N/A THR 158.A OG1 ASP 159.A OD2 no hydrogen 3.438 N/A VAL 161.A N PHE 68.A O no hydrogen 3.014 N/A CYS 163.A N GLN 66.A O no hydrogen 3.243 N/A LEU 167.A N LYS 194.A O no hydrogen 2.880 N/A GLY 170.A N GLY 196.A O no hydrogen 2.859 N/A THR 171.A N PRO 168.A O no hydrogen 3.126 N/A THR 171.A OG1 PRO 168.A O no hydrogen 2.578 N/A GLY 172.A N GLY 196.A O no hydrogen 3.053 N/A LYS 174.A NZ GLU 200.A OE1 no hydrogen 3.422 N/A LYS 174.A NZ GLU 200.A OE2 no hydrogen 3.171 N/A ALA 175.A N LEU 198.A O no hydrogen 3.001 N/A VAL 176.A N ALA 280.A O no hydrogen 2.735 N/A LEU 177.A N GLU 200.A O no hydrogen 2.958 N/A LEU 178.A N TYR 282.A O no hydrogen 3.031 N/A SER 180.A N SER 185.A OG no hydrogen 3.248 N/A SER 180.A OG SER 185.A OG no hydrogen 3.281 N/A GLY 182.A N SER 180.A OG no hydrogen 3.404 N/A SER 185.A OG LEU 178.A O no hydrogen 3.494 N/A SER 185.A OG SER 180.A OG no hydrogen 3.281 N/A ALA 188.A N ASP 184.A O no hydrogen 3.029 N/A GLY 189.A N SER 185.A O no hydrogen 2.990 N/A TRP 190.A N PRO 186.A O no hydrogen 3.026 N/A TYR 191.A N VAL 187.A O no hydrogen 3.005 N/A ALA 192.A N ALA 188.A O no hydrogen 3.054 N/A ALA 192.A N GLY 189.A O no hydrogen 2.881 N/A LEU 193.A N GLY 189.A O no hydrogen 3.050 N/A LYS 194.A N TRP 190.A O no hydrogen 2.975 N/A GLY 196.A N LEU 193.A O no hydrogen 3.085 N/A VAL 197.A N ALA 192.A O no hydrogen 2.733 N/A LEU 198.A N GLY 173.A O no hydrogen 2.858 N/A GLU 200.A N ALA 175.A O no hydrogen 2.966 N/A SER 201.A N ARG 235.A O no hydrogen 3.015 N/A VAL 202.A N LEU 177.A O no hydrogen 2.993 N/A THR 203.A N HIS 237.A O no hydrogen 2.998 N/A VAL 205.A N VAL 239.A O no hydrogen 3.001 N/A SER 206.A N THR 210.A OG1 no hydrogen 3.253 N/A PHE 209.A N SER 206.A O no hydrogen 3.125 N/A SER 211.A OG ASP 340.A OD1 no hydrogen 2.834 N/A LYS 217.A N GLY 213.A O no hydrogen 3.003 N/A LYS 217.A NZ GLN 339.A OE1 no hydrogen 2.566 N/A VAL 218.A N ALA 214.A O no hydrogen 3.048 N/A ARG 219.A N VAL 215.A O no hydrogen 3.018 N/A ARG 219.A NE GLU 383.A OE2 no hydrogen 2.560 N/A ARG 219.A NH2 GLU 383.A OE2 no hydrogen 3.206 N/A ASP 220.A N GLU 216.A O no hydrogen 2.966 N/A ILE 221.A N LYS 217.A O no hydrogen 3.024 N/A LEU 222.A N VAL 218.A O no hydrogen 2.996 N/A ARG 223.A N ARG 219.A O no hydrogen 2.959 N/A ARG 223.A NH1 GLU 216.A OE1 no hydrogen 3.443 N/A ARG 223.A NH2 GLU 216.A OE1 no hydrogen 3.379 N/A VAL 224.A N ASP 220.A O no hydrogen 3.018 N/A LEU 225.A N ILE 221.A O no hydrogen 3.000 N/A ARG 226.A N LEU 222.A O no hydrogen 3.026 N/A ARG 226.A NE GLU 386.A O no hydrogen 2.686 N/A ARG 226.A NH1 GLU 386.A O no hydrogen 2.768 N/A ARG 226.A NH2 ARG 226.A O no hydrogen 2.852 N/A GLU 227.A N VAL 224.A O no hydrogen 3.358 N/A PHE 228.A N LEU 225.A O no hydrogen 2.677 N/A SER 229.A OG LEU 225.A O no hydrogen 3.307 N/A SER 229.A OG ARG 226.A O no hydrogen 2.981 N/A HIS 232.A N SER 229.A O no hydrogen 3.004 N/A LEU 234.A N ILE 385.A O no hydrogen 3.040 N/A LEU 236.A N GLU 383.A O no hydrogen 3.018 N/A HIS 237.A N SER 201.A O no hydrogen 2.946 N/A ILE 238.A N LYS 381.A O no hydrogen 2.741 N/A VAL 239.A N THR 203.A O no hydrogen 3.017 N/A LEU 241.A N VAL 205.A O no hydrogen 3.212 N/A THR 242.A OG1 PRO 207.A O no hydrogen 2.462 N/A THR 242.A OG1 ASN 240.A OD1 no hydrogen 3.473 N/A GLN 245.A N LEU 241.A O no hydrogen 2.692 N/A LEU 246.A N THR 242.A O no hydrogen 3.035 N/A GLU 247.A N LYS 243.A O no hydrogen 3.065 N/A VAL 248.A N LEU 244.A O no hydrogen 3.002 N/A LYS 249.A N GLN 245.A O no hydrogen 2.959 N/A LYS 249.A NZ PHE 344.A O no hydrogen 3.531 N/A LYS 249.A NZ PHE 345.A O no hydrogen 3.441 N/A LYS 250.A N LEU 246.A O no hydrogen 3.079 N/A LYS 250.A NZ GLU 247.A OE2 no hydrogen 3.519 N/A ARG 251.A N GLU 247.A O no hydrogen 3.214 N/A VAL 252.A N VAL 248.A O no hydrogen 3.061 N/A LYS 255.A NZ TYR 256.A OH no hydrogen 3.362 N/A SER 257.A N ASP 254.A O no hydrogen 2.683 N/A SER 257.A OG ASP 254.A O no hydrogen 2.613 N/A MET 260.A N TYR 256.A O no hydrogen 3.168 N/A TYR 261.A N SER 257.A O no hydrogen 3.011 N/A ARG 262.A N LEU 258.A O no hydrogen 2.978 N/A ARG 263.A N ILE 259.A O no hydrogen 2.989 N/A ARG 263.A NH1 SER 300.A O no hydrogen 2.920 N/A ARG 263.A NH2 GLU 363.A OE1 no hydrogen 3.107 N/A SER 264.A N MET 260.A O no hydrogen 3.016 N/A SER 264.A OG MET 260.A O no hydrogen 3.485 N/A SER 264.A OG GLU 373.A OE1 no hydrogen 3.450 N/A MET 265.A N TYR 261.A O no hydrogen 2.957 N/A PHE 266.A N ARG 262.A O no hydrogen 2.922 N/A ARG 267.A N ARG 263.A O no hydrogen 2.951 N/A ARG 267.A NE GLU 373.A OE1 no hydrogen 2.620 N/A ARG 267.A NH1 GLU 363.A OE1 no hydrogen 3.212 N/A ILE 268.A N SER 264.A O no hydrogen 2.990 N/A ALA 269.A N MET 265.A O no hydrogen 2.974 N/A GLU 270.A N PHE 266.A O no hydrogen 2.872 N/A LYS 271.A N ARG 267.A O no hydrogen 3.068 N/A LYS 271.A NZ GLU 374.A OE1 no hydrogen 3.514 N/A ILE 272.A N ILE 268.A O no hydrogen 3.048 N/A ALA 273.A N GLU 270.A O no hydrogen 2.812 N/A GLU 274.A N GLU 270.A O no hydrogen 3.001 N/A GLU 275.A N LYS 271.A O no hydrogen 3.055 N/A THR 276.A N ALA 273.A O no hydrogen 3.357 N/A THR 276.A OG1 GLU 200.A OE1 no hydrogen 3.226 N/A GLY 277.A N ALA 273.A O no hydrogen 2.955 N/A ALA 278.A N ALA 273.A O no hydrogen 2.964 N/A VAL 279.A N LYS 174.A O no hydrogen 2.911 N/A PHE 281.A N PRO 308.A O no hydrogen 2.876 N/A TYR 282.A N VAL 176.A O no hydrogen 2.808 N/A THR 283.A N ILE 310.A O no hydrogen 3.067 N/A THR 283.A OG1 GLU 285.A OE2 no hydrogen 2.988 N/A ASN 286.A ND2 ASP 184.A OD1 no hydrogen 3.430 N/A GLN 293.A N VAL 290.A O no hydrogen 3.410 N/A THR 294.A OG1 ALA 291.A O no hydrogen 3.497 N/A THR 294.A OG1 THR 352.A O no hydrogen 3.211 N/A ASN 297.A ND2 THR 294.A OG1 no hydrogen 3.365 N/A ASN 297.A ND2 ALA 351.A O no hydrogen 3.315 N/A LEU 298.A N THR 294.A O no hydrogen 2.863 N/A TRP 299.A N LEU 295.A O no hydrogen 2.965 N/A SER 300.A N GLU 296.A O no hydrogen 3.043 N/A SER 300.A OG GLU 296.A O no hydrogen 3.262 N/A SER 300.A OG SER 354.A OG no hydrogen 2.702 N/A ILE 301.A N ASN 297.A O no hydrogen 3.057 N/A ILE 301.A N LEU 298.A O no hydrogen 2.991 N/A GLU 302.A N LEU 298.A O no hydrogen 2.887 N/A GLU 302.A N TRP 299.A O no hydrogen 3.267 N/A SER 303.A OG TRP 299.A O no hydrogen 2.441 N/A THR 305.A OG1 GLU 270.A OE1 no hydrogen 2.677 N/A ILE 310.A N PHE 281.A O no hydrogen 2.489 N/A ARG 311.A NE GLU 285.A OE2 no hydrogen 2.980 N/A ARG 311.A NH1 GLU 302.A OE2 no hydrogen 3.360 N/A ARG 311.A NH2 GLU 302.A OE2 no hydrogen 3.467 N/A SER 314.A N ARG 311.A O no hydrogen 3.301 N/A SER 314.A OG ARG 311.A O no hydrogen 2.456 N/A PHE 316.A N LEU 313.A O no hydrogen 2.842 N/A ASP 317.A N GLU 320.A OE2 no hydrogen 2.857 N/A ILE 321.A N ASP 317.A O no hydrogen 3.089 N/A VAL 322.A N LYS 318.A O no hydrogen 2.996 N/A GLU 323.A N THR 319.A O no hydrogen 3.037 N/A LYS 324.A N GLU 320.A O no hydrogen 3.073 N/A LYS 324.A NZ GLU 327.A OE1 no hydrogen 3.008 N/A ALA 325.A N ILE 321.A O no hydrogen 2.950 N/A LYS 326.A N VAL 322.A O no hydrogen 2.963 N/A GLU 327.A N GLU 323.A O no hydrogen 3.009 N/A ILE 328.A N LYS 324.A O no hydrogen 3.031 N/A GLY 329.A N ALA 325.A O no hydrogen 3.089 N/A THR 330.A N ALA 325.A O no hydrogen 2.852 N/A THR 330.A OG1 ALA 325.A O no hydrogen 3.460 N/A TYR 331.A N ALA 325.A O no hydrogen 3.038 N/A SER 334.A N THR 330.A O no hydrogen 3.078 N/A SER 334.A N TYR 331.A O no hydrogen 3.121 N/A SER 334.A OG GLY 182.A O no hydrogen 2.850 N/A SER 334.A OG THR 330.A O no hydrogen 2.971 N/A ILE 335.A N TYR 331.A O no hydrogen 2.967 N/A LYS 336.A N GLU 332.A O no hydrogen 3.057 N/A ASP 340.A N SER 211.A OG no hydrogen 3.007 N/A ASP 340.A N ASP 340.A OD1 no hydrogen 2.406 N/A CYS 342.A N PHE 209.A O no hydrogen 2.604 N/A LYS 348.A N ASP 254.A OD2 no hydrogen 2.931 N/A ASN 349.A ND2 LYS 348.A O no hydrogen 2.702 N/A ALA 351.A N LYS 255.A O no hydrogen 3.309 N/A SER 354.A N GLU 296.A OE1 no hydrogen 3.354 N/A SER 354.A OG SER 300.A OG no hydrogen 2.702 N/A LYS 361.A N SER 357.A O no hydrogen 2.889 N/A LEU 362.A N ILE 358.A O no hydrogen 3.083 N/A GLU 363.A N LEU 359.A O no hydrogen 2.997 N/A GLN 364.A N LYS 361.A O no hydrogen 2.980 N/A GLN 364.A NE2 LYS 361.A O no hydrogen 2.921 N/A GLN 365.A N LEU 362.A O no hydrogen 2.882 N/A ASP 368.A N ASP 368.A OD1 no hydrogen 2.439 N/A LEU 372.A N ASP 368.A O no hydrogen 2.881 N/A GLU 373.A N LEU 369.A O no hydrogen 2.964 N/A GLU 374.A N PRO 370.A O no hydrogen 3.045 N/A GLU 375.A N VAL 371.A O no hydrogen 2.934 N/A ALA 376.A N LEU 372.A O no hydrogen 2.979 N/A PHE 377.A N GLU 373.A O no hydrogen 2.984 N/A THR 378.A N GLU 374.A O no hydrogen 3.038 N/A THR 378.A OG1 GLU 374.A O no hydrogen 2.676 N/A THR 378.A OG1 GLU 375.A O no hydrogen 3.133 N/A SER 379.A N GLU 375.A O no hydrogen 2.739 N/A SER 379.A OG GLU 375.A O no hydrogen 2.480 N/A ARG 380.A N PHE 377.A O no hydrogen 3.140 N/A LYS 381.A N ILE 238.A O no hydrogen 3.103 N/A GLU 383.A N LEU 236.A O no hydrogen 2.959 N/A ILE 385.A N LEU 234.A O no hydrogen 2.985 N/A