Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pw4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 146.A O no hydrogen 2.590 N/A LEU 5.A N LEU 110.A O no hydrogen 2.865 N/A PHE 6.A N GLY 144.A O no hydrogen 2.742 N/A VAL 7.A N ALA 108.A O no hydrogen 2.993 N/A ASP 8.A N THR 142.A O no hydrogen 2.827 N/A PHE 9.A N ASP 106.A O no hydrogen 3.192 N/A ASP 10.A N THR 140.A O no hydrogen 3.144 N/A TYR 11.A OH GLU 18.A OE1 no hydrogen 2.597 N/A GLN 15.A N TYR 11.A O no hydrogen 2.691 N/A GLN 15.A NE2 ASP 10.A O no hydrogen 2.712 N/A GLN 15.A NE2 THR 140.A O no hydrogen 3.238 N/A VAL 16.A N PHE 12.A O no hydrogen 2.730 N/A GLU 17.A N TYR 13.A O no hydrogen 2.995 N/A GLU 18.A N ALA 14.A O no hydrogen 2.988 N/A VAL 19.A N GLN 15.A O no hydrogen 2.754 N/A LEU 20.A N VAL 16.A O no hydrogen 2.909 N/A ASN 21.A N GLU 18.A O no hydrogen 3.179 N/A SER 23.A OG ASN 21.A OD1 no hydrogen 2.572 N/A LEU 24.A N ASN 21.A O no hydrogen 2.888 N/A LYS 25.A N PRO 22.A O no hydrogen 3.012 N/A LYS 25.A NZ PRO 22.A O no hydrogen 3.242 N/A LYS 27.A N LEU 24.A O no hydrogen 2.893 N/A LYS 27.A NZ SER 23.A O no hydrogen 3.226 N/A VAL 29.A N ASN 48.A OD1 no hydrogen 2.902 N/A VAL 30.A N VAL 73.A O no hydrogen 2.978 N/A VAL 31.A N THR 46.A O no hydrogen 2.790 N/A CYS 32.A N LEU 75.A O no hydrogen 2.825 N/A CYS 32.A SG VAL 30.A O no hydrogen 3.810 N/A CYS 32.A SG LEU 75.A O no hydrogen 3.990 N/A VAL 33.A N ALA 43.A O no hydrogen 2.983 N/A SER 35.A N SER 41.A O no hydrogen 3.228 N/A SER 35.A OG SER 41.A OG no hydrogen 3.259 N/A ARG 37.A NH2 ASN 255.A OD1 no hydrogen 2.362 N/A SER 41.A N PHE 38.A O no hydrogen 3.096 N/A SER 41.A OG SER 35.A OG no hydrogen 3.259 N/A ALA 43.A N VAL 33.A O no hydrogen 3.332 N/A VAL 44.A N ILE 60.A O no hydrogen 3.193 N/A ALA 45.A N VAL 31.A O no hydrogen 2.702 N/A THR 46.A N VAL 31.A O no hydrogen 3.100 N/A ASN 48.A N VAL 29.A O no hydrogen 3.002 N/A ASN 48.A ND2 GLU 18.A OE2 no hydrogen 3.312 N/A ASN 48.A ND2 LYS 27.A O no hydrogen 2.704 N/A ALA 51.A N ASN 48.A OD1 no hydrogen 3.387 N/A ARG 52.A N ASN 48.A O no hydrogen 2.939 N/A ARG 52.A NE ALA 47.A O no hydrogen 3.222 N/A ARG 52.A NH2 ALA 47.A O no hydrogen 2.385 N/A LYS 53.A N TYR 49.A O no hydrogen 2.856 N/A LYS 53.A N GLU 50.A O no hydrogen 3.222 N/A PHE 54.A N ALA 51.A O no hydrogen 3.134 N/A GLY 55.A N ARG 52.A O no hydrogen 2.799 N/A GLY 59.A N VAL 44.A O no hydrogen 3.073 N/A ILE 62.A N GLY 42.A O no hydrogen 3.243 N/A ALA 65.A N PRO 61.A O no hydrogen 3.175 N/A LYS 66.A N ILE 62.A O no hydrogen 2.931 N/A LYS 66.A NZ ASP 40.A OD2 no hydrogen 2.647 N/A LYS 67.A N VAL 63.A O no hydrogen 3.173 N/A ILE 68.A N GLU 64.A O no hydrogen 3.113 N/A ILE 68.A N ALA 65.A O no hydrogen 3.060 N/A LEU 69.A N ALA 65.A O no hydrogen 2.953 N/A ALA 72.A N LEU 69.A O no hydrogen 3.029 N/A VAL 73.A N PRO 28.A O no hydrogen 2.946 N/A TYR 74.A OH LEU 69.A O no hydrogen 3.015 N/A LEU 75.A N VAL 30.A O no hydrogen 3.074 N/A MET 77.A N CYS 32.A O no hydrogen 2.847 N/A ARG 78.A N TYR 82.A OH no hydrogen 2.806 N/A ARG 78.A NH1 GLU 17.A OE2 no hydrogen 2.859 N/A TYR 82.A N ARG 78.A O no hydrogen 3.114 N/A TYR 82.A OH GLU 17.A OE2 no hydrogen 3.161 N/A GLN 83.A N LYS 79.A O no hydrogen 2.646 N/A GLN 84.A N GLU 80.A O no hydrogen 2.995 N/A GLN 84.A N VAL 81.A O no hydrogen 3.187 N/A VAL 85.A N VAL 81.A O no hydrogen 3.104 N/A SER 86.A N TYR 82.A O no hydrogen 2.936 N/A SER 86.A OG ILE 105.A O no hydrogen 2.773 N/A SER 87.A N GLN 83.A O no hydrogen 3.079 N/A SER 87.A OG GLN 83.A O no hydrogen 3.498 N/A ARG 88.A N GLN 84.A O no hydrogen 3.183 N/A ARG 88.A NH1 GLU 137.A OE2 no hydrogen 3.118 N/A ILE 89.A N VAL 85.A O no hydrogen 3.250 N/A MET 90.A N SER 86.A O no hydrogen 2.781 N/A ASN 91.A N SER 87.A O no hydrogen 3.189 N/A LEU 92.A N ARG 88.A O no hydrogen 3.379 N/A LEU 93.A N ILE 89.A O no hydrogen 3.321 N/A ARG 94.A N MET 90.A O no hydrogen 3.274 N/A ARG 94.A NE ASN 91.A OD1 no hydrogen 3.362 N/A GLU 95.A N ASN 91.A O no hydrogen 3.431 N/A GLU 95.A N LEU 92.A O no hydrogen 3.275 N/A TYR 96.A N LEU 93.A O no hydrogen 2.605 N/A SER 97.A N ARG 94.A O no hydrogen 3.128 N/A SER 97.A OG GLU 98.A OE2 no hydrogen 3.266 N/A SER 97.A OG LYS 99.A O no hydrogen 3.321 N/A SER 97.A OG ASP 111.A O no hydrogen 3.180 N/A LYS 99.A N SER 97.A OG no hydrogen 2.970 N/A GLU 101.A N TYR 109.A O no hydrogen 2.847 N/A SER 104.A OG ASP 106.A OD1 no hydrogen 3.003 N/A ASP 106.A N SER 104.A OG no hydrogen 3.160 N/A LEU 110.A N LEU 5.A O no hydrogen 2.659 N/A ASP 111.A N LYS 99.A O no hydrogen 2.862 N/A ILE 112.A N LEU 110.A O no hydrogen 3.056 N/A LYS 115.A NZ GLU 98.A OE2 no hydrogen 2.767 N/A ARG 117.A N GLU 121.A OE1 no hydrogen 3.062 N/A ARG 120.A N ASP 118.A OD2 no hydrogen 2.986 N/A GLU 121.A N ASP 118.A O no hydrogen 2.958 N/A ALA 122.A N ASP 118.A O no hydrogen 3.079 N/A TYR 123.A N TYR 119.A O no hydrogen 2.767 N/A ASN 124.A N ARG 120.A O no hydrogen 3.355 N/A LEU 125.A N GLU 121.A O no hydrogen 2.950 N/A GLY 126.A N ALA 122.A O no hydrogen 2.747 N/A LEU 127.A N TYR 123.A O no hydrogen 3.098 N/A GLU 128.A N ASN 124.A O no hydrogen 2.883 N/A ILE 129.A N LEU 125.A O no hydrogen 2.944 N/A LYS 130.A N GLY 126.A O no hydrogen 2.740 N/A LYS 130.A NZ GLY 163.A O no hydrogen 3.346 N/A ASN 131.A N LEU 127.A O no hydrogen 2.798 N/A LYS 132.A N GLU 128.A O no hydrogen 3.007 N/A ILE 133.A N ILE 129.A O no hydrogen 3.077 N/A LEU 134.A N LYS 130.A O no hydrogen 2.871 N/A GLU 135.A N ASN 131.A O no hydrogen 2.881 N/A LYS 136.A N LYS 132.A O no hydrogen 3.180 N/A LYS 136.A NZ GLU 135.A OE2 no hydrogen 3.434 N/A GLU 137.A N ILE 133.A O no hydrogen 3.171 N/A LYS 138.A N LEU 134.A O no hydrogen 3.103 N/A LYS 138.A NZ GLU 135.A O no hydrogen 2.882 N/A THR 140.A N GLN 15.A OE1 no hydrogen 2.670 N/A THR 140.A OG1 ASP 10.A OD2 no hydrogen 2.846 N/A THR 142.A N ASP 8.A O no hydrogen 3.063 N/A THR 142.A OG1 ASP 10.A OD1 no hydrogen 2.959 N/A VAL 143.A N GLY 163.A O no hydrogen 2.926 N/A GLY 144.A N PHE 6.A O no hydrogen 2.809 N/A ILE 145.A N LYS 165.A O no hydrogen 3.004 N/A SER 146.A N VAL 4.A O no hydrogen 3.185 N/A SER 146.A OG ILE 167.A O no hydrogen 3.012 N/A LYS 147.A N SER 146.A OG no hydrogen 2.731 N/A LYS 147.A NZ ASP 232.A OD1 no hydrogen 2.924 N/A ASN 148.A ND2 TYR 234.A O no hydrogen 3.638 N/A LYS 149.A NZ GLU 236.A O no hydrogen 3.354 N/A LYS 149.A NZ PRO 237.A O no hydrogen 3.073 N/A PHE 151.A N ASN 148.A OD1 no hydrogen 2.908 N/A ALA 152.A N ASN 148.A O no hydrogen 2.986 N/A LYS 153.A N LYS 149.A O no hydrogen 2.979 N/A LYS 153.A NZ GLU 107.A OE1 no hydrogen 3.381 N/A ILE 154.A N VAL 150.A O no hydrogen 3.178 N/A ALA 155.A N PHE 151.A O no hydrogen 2.853 N/A ALA 156.A N ALA 152.A O no hydrogen 3.444 N/A ASP 157.A N LYS 153.A O no hydrogen 2.939 N/A MET 158.A N ILE 154.A O no hydrogen 3.114 N/A ALA 159.A N ALA 155.A O no hydrogen 3.206 N/A LYS 160.A NZ ASP 8.A OD2 no hydrogen 3.130 N/A LYS 160.A NZ ASP 157.A OD1 no hydrogen 2.989 N/A ASN 162.A N ASP 10.A OD1 no hydrogen 3.147 N/A ASN 162.A N ASP 10.A OD2 no hydrogen 2.803 N/A GLY 163.A N THR 142.A OG1 no hydrogen 3.248 N/A LYS 165.A N VAL 143.A O no hydrogen 3.075 N/A ILE 167.A N ILE 145.A O no hydrogen 2.738 N/A GLU 171.A N ASP 168.A O no hydrogen 2.578 N/A GLU 171.A N ASP 168.A OD1 no hydrogen 2.893 N/A VAL 172.A N ASP 168.A O no hydrogen 2.959 N/A LYS 173.A N ASP 169.A O no hydrogen 2.911 N/A ARG 174.A N GLU 170.A O no hydrogen 3.085 N/A ARG 174.A NE GLU 171.A OE1 no hydrogen 3.507 N/A LEU 175.A N GLU 171.A O no hydrogen 3.040 N/A ILE 176.A N VAL 172.A O no hydrogen 2.751 N/A ARG 177.A N ARG 174.A O no hydrogen 3.308 N/A GLU 178.A N ARG 174.A O no hydrogen 2.813 N/A LEU 179.A N LEU 175.A O no hydrogen 2.850 N/A ILE 181.A N ASN 201.A O no hydrogen 3.139 N/A ALA 182.A N ASP 180.A OD1 no hydrogen 3.136 N/A ASP 183.A N ASP 180.A O no hydrogen 3.034 N/A ILE 187.A N VAL 184.A O no hydrogen 3.069 N/A THR 191.A N GLY 188.A O no hydrogen 2.643 N/A ALA 192.A N GLY 188.A O no hydrogen 2.970 N/A GLU 193.A N ASN 189.A O no hydrogen 3.161 N/A LYS 194.A NZ ILE 190.A O no hydrogen 3.307 N/A LEU 195.A N THR 191.A O no hydrogen 3.008 N/A LYS 196.A N ALA 192.A O no hydrogen 3.147 N/A LYS 197.A N GLU 193.A O no hydrogen 3.120 N/A LYS 197.A NZ LYS 197.A O no hydrogen 3.107 N/A GLY 199.A N LYS 196.A O no hydrogen 3.361 N/A ASN 201.A N ASP 205.A OD2 no hydrogen 2.893 N/A ASN 201.A ND2 GLY 199.A O no hydrogen 3.168 N/A LYS 202.A N ASP 205.A OD2 no hydrogen 2.970 N/A LYS 202.A NZ GLU 178.A O no hydrogen 3.264 N/A ASP 205.A N LYS 202.A O no hydrogen 2.800 N/A THR 206.A OG1 LEU 203.A O no hydrogen 3.158 N/A LEU 207.A N VAL 204.A O no hydrogen 2.911 N/A SER 208.A OG ASP 205.A O no hydrogen 2.627 N/A LYS 213.A N GLU 210.A O no hydrogen 3.068 N/A LYS 215.A N PHE 211.A O no hydrogen 3.030 N/A GLY 216.A N LYS 213.A O no hydrogen 3.310 N/A MET 217.A N LYS 213.A O no hydrogen 3.221 N/A ILE 218.A N LEU 214.A O no hydrogen 2.836 N/A LYS 222.A NZ GLY 186.A O no hydrogen 3.268 N/A ALA 223.A N GLY 219.A O no hydrogen 2.995 N/A LYS 224.A N GLU 220.A O no hydrogen 3.018 N/A LYS 224.A NZ GLU 220.A OE2 no hydrogen 3.219 N/A TYR 225.A N ALA 221.A O no hydrogen 2.989 N/A TYR 225.A OH PRO 185.A O no hydrogen 2.828 N/A LEU 226.A N LYS 222.A O no hydrogen 2.902 N/A ILE 227.A N ALA 223.A O no hydrogen 3.097 N/A SER 228.A N LYS 224.A O no hydrogen 3.098 N/A SER 228.A OG LYS 224.A O no hydrogen 3.239 N/A SER 228.A OG TYR 225.A O no hydrogen 2.688 N/A LEU 229.A N TYR 225.A O no hydrogen 3.237 N/A ALA 230.A N LEU 226.A O no hydrogen 3.129 N/A ALA 230.A N ILE 227.A O no hydrogen 3.135 N/A ARG 231.A N ILE 227.A O no hydrogen 2.964 N/A ARG 231.A NH1 GLU 233.A OE2 no hydrogen 3.458 N/A GLU 233.A N SER 228.A O no hydrogen 2.912 N/A TYR 234.A N SER 228.A O no hydrogen 3.272 N/A ILE 246.A N PHE 338.A O no hydrogen 2.789 N/A ARG 248.A N VAL 336.A O no hydrogen 2.888 N/A ARG 248.A NE GLU 272.A OE1 no hydrogen 2.478 N/A ARG 248.A NH1 ILE 249.A O no hydrogen 2.371 N/A VAL 250.A N ILE 334.A O no hydrogen 2.878 N/A MET 252.A N ARG 332.A O no hydrogen 3.472 N/A LYS 253.A N TYR 265.A OH no hydrogen 2.909 N/A ARG 254.A NH2 GLU 261.A OE1 no hydrogen 2.907 N/A SER 256.A N ILE 331.A O no hydrogen 3.264 N/A ARG 257.A NE GLU 328.A O no hydrogen 2.958 N/A ARG 257.A NE ARG 329.A O no hydrogen 3.271 N/A ARG 257.A NH1 LEU 324.A O no hydrogen 3.470 N/A ARG 257.A NH2 LEU 324.A O no hydrogen 2.545 N/A ILE 262.A N ASN 258.A O no hydrogen 2.811 N/A LYS 263.A N LEU 259.A O no hydrogen 2.640 N/A LEU 266.A N ILE 262.A O no hydrogen 3.087 N/A PHE 267.A N LYS 263.A O no hydrogen 2.836 N/A ARG 268.A N PRO 264.A O no hydrogen 2.950 N/A ALA 269.A N TYR 265.A O no hydrogen 2.889 N/A ILE 270.A N LEU 266.A O no hydrogen 2.873 N/A GLU 271.A N PHE 267.A O no hydrogen 2.794 N/A GLU 272.A N ARG 268.A O no hydrogen 3.259 N/A SER 273.A N ALA 269.A O no hydrogen 3.031 N/A SER 273.A OG ALA 269.A O no hydrogen 2.835 N/A TYR 274.A N ILE 270.A O no hydrogen 3.113 N/A TYR 274.A OH ILE 307.A O no hydrogen 2.578 N/A TYR 275.A N GLU 271.A O no hydrogen 3.441 N/A LYS 276.A N GLU 272.A O no hydrogen 2.993 N/A LYS 276.A NZ GLY 247.A O no hydrogen 3.157 N/A LEU 277.A N SER 273.A O no hydrogen 2.924 N/A ASP 278.A N TYR 274.A O no hydrogen 3.001 N/A ASP 278.A N TYR 275.A O no hydrogen 2.865 N/A ARG 280.A N LEU 277.A O no hydrogen 2.989 N/A ARG 280.A NE LEU 277.A O no hydrogen 3.335 N/A ARG 280.A NH2 LYS 276.A O no hydrogen 3.542 N/A LYS 283.A N SER 339.A O no hydrogen 3.182 N/A LYS 283.A N LYS 340.A O no hydrogen 2.924 N/A LYS 283.A NZ LYS 340.A O no hydrogen 3.342 N/A ALA 284.A N SER 339.A O no hydrogen 3.128 N/A ILE 285.A N ARG 301.A O no hydrogen 3.048 N/A HIS 286.A N ARG 337.A O no hydrogen 2.959 N/A VAL 287.A N ARG 299.A O no hydrogen 2.815 N/A VAL 288.A N GLY 335.A O no hydrogen 2.932 N/A ALA 289.A N VAL 297.A O no hydrogen 2.839 N/A VAL 290.A N ARG 333.A O no hydrogen 2.602 N/A THR 291.A N ASP 295.A O no hydrogen 2.900 N/A THR 291.A OG1 ASP 293.A OD1 no hydrogen 3.121 N/A THR 291.A OG1 ASP 295.A O no hydrogen 2.990 N/A GLU 292.A N LYS 330.A O no hydrogen 2.718 N/A LEU 294.A N THR 291.A O no hydrogen 2.725 N/A ASP 295.A N THR 291.A OG1 no hydrogen 3.091 N/A VAL 297.A N ALA 289.A O no hydrogen 2.946 N/A ARG 299.A N VAL 287.A O no hydrogen 3.157 N/A ARG 299.A NE GLU 326.A OE1 no hydrogen 2.445 N/A ARG 299.A NH1 SER 298.A O no hydrogen 3.120 N/A ARG 299.A NH2 GLU 326.A OE1 no hydrogen 2.859 N/A ARG 301.A N ILE 285.A O no hydrogen 2.962 N/A PHE 303.A N LYS 283.A O no hydrogen 2.766 N/A HIS 305.A ND1 GLY 306.A O no hydrogen 2.522 N/A ILE 307.A N PRO 282.A O no hydrogen 2.893 N/A LYS 309.A NZ GLU 271.A OE2 no hydrogen 3.307 N/A THR 311.A OG1 SER 308.A O no hydrogen 3.520 N/A ALA 312.A N SER 308.A O no hydrogen 2.769 N/A TYR 313.A N LYS 309.A O no hydrogen 3.058 N/A TYR 313.A OH GLU 271.A OE1 no hydrogen 2.445 N/A SER 314.A N GLU 310.A O no hydrogen 3.259 N/A GLU 315.A N THR 311.A O no hydrogen 2.761 N/A SER 316.A N ALA 312.A O no hydrogen 3.051 N/A SER 316.A OG TYR 313.A O no hydrogen 2.381 N/A VAL 317.A N TYR 313.A O no hydrogen 3.030 N/A LYS 318.A N SER 314.A O no hydrogen 3.306 N/A LEU 319.A N GLU 315.A O no hydrogen 3.208 N/A LEU 320.A N SER 316.A O no hydrogen 3.023 N/A LEU 320.A N VAL 317.A O no hydrogen 3.164 N/A GLN 321.A N VAL 317.A O no hydrogen 3.055 N/A LYS 322.A N LYS 318.A O no hydrogen 2.859 N/A ILE 323.A N LEU 319.A O no hydrogen 3.204 N/A ILE 323.A N LEU 320.A O no hydrogen 2.659 N/A LEU 324.A N LEU 320.A O no hydrogen 2.865 N/A GLU 325.A N GLN 321.A O no hydrogen 2.792 N/A GLU 326.A N LYS 322.A O no hydrogen 2.985 N/A ASP 327.A N ILE 323.A O no hydrogen 2.782 N/A ASP 327.A N LEU 324.A O no hydrogen 3.401 N/A GLU 328.A N ASP 327.A OD1 no hydrogen 2.550 N/A ARG 329.A N ASP 327.A OD1 no hydrogen 3.023 N/A ARG 329.A NE ASP 327.A OD1 no hydrogen 3.085 N/A ARG 329.A NH1 ASP 293.A OD1 no hydrogen 3.387 N/A ARG 329.A NH1 ASP 293.A OD2 no hydrogen 3.369 N/A ARG 329.A NH1 ASP 295.A OD2 no hydrogen 2.917 N/A ARG 329.A NH2 ASP 295.A OD2 no hydrogen 3.261 N/A ARG 329.A NH2 ASP 327.A OD2 no hydrogen 2.814 N/A ILE 331.A N SER 256.A O no hydrogen 2.766 N/A ARG 332.A N VAL 290.A O no hydrogen 2.690 N/A ARG 333.A N VAL 290.A O no hydrogen 2.822 N/A ARG 333.A NH1 THR 251.A OG1 no hydrogen 3.126 N/A ILE 334.A N VAL 250.A O no hydrogen 3.229 N/A GLY 335.A N VAL 288.A O no hydrogen 2.926 N/A VAL 336.A N ARG 248.A O no hydrogen 2.934 N/A ARG 337.A N HIS 286.A O no hydrogen 2.968 N/A ARG 337.A NH1 SER 245.A OG no hydrogen 3.078 N/A PHE 338.A N ILE 246.A O no hydrogen 2.582 N/A SER 339.A N ALA 284.A O no hydrogen 3.032 N/A LYS 340.A NZ THR 302.A OG1 no hydrogen 3.029 N/A ILE 342.A N ILE 281.A O no hydrogen 2.592 N/A