Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2e9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG PRO 4.A O no hydrogen 3.443 N/A SER 6.A N THR 27.A O no hydrogen 3.401 N/A HIS 8.A N LEU 25.A O no hydrogen 2.994 N/A SER 12.A OG ASP 13.A OD1 no hydrogen 3.244 N/A LEU 14.A N TYR 76.A O no hydrogen 2.614 N/A VAL 16.A N PHE 78.A O no hydrogen 2.559 N/A VAL 18.A N ARG 80.A O no hydrogen 2.897 N/A GLY 19.A N ALA 55.A O no hydrogen 3.272 N/A ASP 20.A N ARG 17.A O no hydrogen 2.899 N/A ILE 22.A N THR 52.A O no hydrogen 2.931 N/A ARG 23.A NH1 GLU 49.A OE2 no hydrogen 3.341 N/A LEU 24.A N TRP 50.A O no hydrogen 2.741 N/A LEU 25.A N HIS 8.A O no hydrogen 2.979 N/A CYS 26.A N ASN 48.A O no hydrogen 2.719 N/A CYS 26.A SG SER 6.A O no hydrogen 3.980 N/A THR 27.A N SER 6.A O no hydrogen 2.767 N/A GLY 30.A N ASP 28.A OD2 no hydrogen 2.798 N/A PHE 31.A N ASP 28.A O no hydrogen 2.916 N/A TRP 34.A N ASN 45.A O no hydrogen 2.410 N/A TRP 34.A NE1 ASN 48.A O no hydrogen 3.128 N/A THR 35.A N THR 64.A O no hydrogen 2.834 N/A PHE 36.A N ASN 43.A O no hydrogen 3.018 N/A GLU 37.A N LYS 62.A O no hydrogen 3.242 N/A ASN 43.A N PHE 36.A O no hydrogen 2.769 N/A TRP 50.A N LEU 24.A O no hydrogen 2.560 N/A THR 52.A N ILE 22.A O no hydrogen 3.170 N/A ALA 55.A N ASP 20.A O no hydrogen 2.530 N/A ASN 59.A N GLU 56.A O no hydrogen 2.528 N/A ASN 59.A ND2 TYR 63.A OH no hydrogen 3.391 N/A THR 60.A N ALA 57.A O no hydrogen 3.473 N/A THR 60.A OG1 ALA 57.A O no hydrogen 3.395 N/A GLY 61.A N VAL 77.A O no hydrogen 3.130 N/A LYS 62.A N GLU 37.A O no hydrogen 3.242 N/A TYR 63.A N ILE 75.A O no hydrogen 3.369 N/A TYR 63.A OH ASN 59.A O no hydrogen 2.910 N/A THR 64.A N THR 35.A O no hydrogen 2.983 N/A CYS 65.A N ASN 73.A O no hydrogen 3.041 N/A THR 66.A N LYS 33.A O no hydrogen 3.469 N/A ASN 67.A N LEU 71.A O no hydrogen 2.448 N/A LYS 68.A N ASN 67.A OD1 no hydrogen 2.815 N/A GLY 70.A N ASN 67.A O no hydrogen 3.287 N/A ASN 73.A N CYS 65.A O no hydrogen 2.961 N/A ASN 73.A ND2 SER 72.A O no hydrogen 3.364 N/A TYR 76.A N SER 12.A O no hydrogen 3.251 N/A VAL 77.A N GLY 61.A O no hydrogen 3.071 N/A PHE 78.A N LEU 14.A O no hydrogen 2.624 N/A VAL 79.A N THR 60.A OG1 no hydrogen 3.007 N/A ARG 80.A NE ASP 108.A OD2 no hydrogen 2.384 N/A ARG 80.A NH2 ASP 108.A OD1 no hydrogen 3.220 N/A ARG 80.A NH2 ASP 108.A OD2 no hydrogen 2.898 N/A ARG 80.A NH2 GLU 110.A OE1 no hydrogen 3.162 N/A ALA 83.A N ASP 81.A OD2 no hydrogen 2.889 N/A LEU 87.A N PRO 105.A O no hydrogen 3.017 N/A ASP 89.A N ARG 103.A O no hydrogen 3.071 N/A ARG 90.A NE GLU 166.A OE2 no hydrogen 3.048 N/A SER 91.A N ASP 89.A OD2 no hydrogen 3.229 N/A GLY 94.A N LYS 171.A O no hydrogen 3.331 N/A ASP 97.A N VAL 143.A O no hydrogen 2.956 N/A SER 98.A OG ASP 99.A O no hydrogen 3.402 N/A THR 100.A N ILE 140.A O no hydrogen 2.822 N/A THR 100.A OG1 ASP 99.A O no hydrogen 2.583 N/A VAL 102.A N ILE 138.A O no hydrogen 2.868 N/A CYS 104.A N VAL 102.A O no hydrogen 2.785 N/A CYS 104.A SG VAL 102.A O no hydrogen 3.385 N/A LEU 106.A N PRO 134.A O no hydrogen 3.134 N/A THR 107.A OG1 LYS 84.A O no hydrogen 3.370 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 2.725 N/A THR 112.A N ASP 157.A O no hydrogen 3.230 N/A THR 112.A OG1 ASP 157.A O no hydrogen 3.288 N/A SER 113.A OG ASP 157.A OD1 no hydrogen 2.484 N/A TYR 114.A OH CYS 104.A O no hydrogen 2.347 N/A SER 115.A N SER 155.A O no hydrogen 2.831 N/A SER 115.A OG SER 113.A O no hydrogen 3.479 N/A LYS 117.A N HIS 153.A O no hydrogen 2.679 N/A LYS 122.A N GLN 120.A O no hydrogen 2.910 N/A LYS 135.A N ASP 133.A OD1 no hydrogen 2.976 N/A LYS 135.A NZ ASP 13.A OD2 no hydrogen 3.057 N/A ALA 136.A N ASP 133.A O no hydrogen 2.672 N/A ILE 138.A N VAL 102.A O no hydrogen 3.241 N/A MET 139.A N ILE 131.A O no hydrogen 3.379 N/A LYS 141.A N ARG 129.A O no hydrogen 2.967 N/A SER 142.A N ASP 99.A OD2 no hydrogen 3.019 N/A ARG 145.A NE GLU 96.A OE1 no hydrogen 3.105 N/A ARG 145.A NH2 GLU 96.A OE1 no hydrogen 3.485 N/A ARG 145.A NH2 ALA 175.A O no hydrogen 3.348 N/A TYR 147.A N LYS 144.A O no hydrogen 2.658 N/A HIS 148.A N ARG 145.A O no hydrogen 2.761 N/A LEU 150.A N TYR 147.A O no hydrogen 2.878 N/A LEU 152.A N PHE 168.A O no hydrogen 2.637 N/A HIS 153.A N LYS 117.A O no hydrogen 3.035 N/A HIS 153.A ND1 SER 165.A O no hydrogen 2.918 N/A CYS 154.A N SER 165.A OG no hydrogen 2.558 N/A CYS 154.A SG CYS 104.A O no hydrogen 3.527 N/A SER 155.A N SER 115.A O no hydrogen 2.523 N/A VAL 156.A N VAL 163.A O no hydrogen 3.022 N/A GLN 158.A N LYS 161.A O no hydrogen 2.527 N/A VAL 163.A N VAL 156.A O no hydrogen 2.532 N/A SER 165.A OG CYS 154.A O no hydrogen 3.092 N/A SER 165.A OG GLU 166.A O no hydrogen 3.000 N/A PHE 168.A N LEU 152.A O no hydrogen 3.069 N/A LYS 171.A N LEU 92.A O no hydrogen 3.191 N/A VAL 172.A N HIS 148.A ND1 no hydrogen 2.965 N/A ARG 173.A N GLY 94.A O no hydrogen 2.749 N/A ALA 175.A N GLU 96.A OE1 no hydrogen 2.638 N/A LYS 177.A NZ ASP 97.A OD1 no hydrogen 3.228 N/A LYS 177.A NZ ASP 97.A OD2 no hydrogen 3.129 N/A VAL 181.A N LYS 204.A O no hydrogen 3.325 N/A SER 183.A N THR 202.A O no hydrogen 3.265 N/A SER 183.A OG THR 202.A O no hydrogen 3.346 N/A SER 185.A N THR 200.A O no hydrogen 2.890 N/A SER 185.A OG TYR 189.A OH no hydrogen 3.145 N/A SER 185.A OG THR 200.A O no hydrogen 3.355 N/A TYR 189.A N THR 272.A O no hydrogen 2.963 N/A TYR 189.A OH SER 185.A OG no hydrogen 3.145 N/A TYR 189.A OH THR 198.A O no hydrogen 2.961 N/A LEU 191.A N GLU 274.A O no hydrogen 3.260 N/A ARG 192.A N GLU 195.A OE2 no hydrogen 3.266 N/A GLU 193.A N VAL 276.A O no hydrogen 2.473 N/A GLY 194.A N ALA 248.A O no hydrogen 2.798 N/A GLU 195.A N ARG 192.A O no hydrogen 3.112 N/A PHE 197.A N ILE 245.A O no hydrogen 2.615 N/A THR 198.A OG1 LEU 243.A O no hydrogen 3.479 N/A VAL 199.A N LEU 243.A O no hydrogen 2.628 N/A THR 200.A N SER 185.A OG no hydrogen 3.121 N/A THR 200.A OG1 THR 242.A OG1 no hydrogen 2.620 N/A CYS 201.A N ALA 241.A O no hydrogen 2.881 N/A CYS 201.A SG SER 183.A O no hydrogen 3.260 N/A THR 202.A N SER 183.A O no hydrogen 2.961 N/A ILE 203.A N ARG 239.A O no hydrogen 2.928 N/A LYS 204.A N VAL 181.A O no hydrogen 2.966 N/A ASP 205.A N TYR 237.A O no hydrogen 2.972 N/A SER 207.A OG SER 209.A OG no hydrogen 2.510 N/A SER 209.A N SER 207.A OG no hydrogen 3.313 N/A SER 209.A OG SER 207.A OG no hydrogen 2.510 N/A VAL 210.A N SER 207.A O no hydrogen 2.959 N/A TRP 214.A N GLU 225.A OE1 no hydrogen 2.861 N/A TRP 214.A NE1 ALA 241.A O no hydrogen 3.249 N/A LYS 215.A N MET 257.A O no hydrogen 3.089 N/A ARG 216.A NH1 ASP 252.A OD2 no hydrogen 3.194 N/A ARG 216.A NH2 ASN 251.A O no hydrogen 3.136 N/A GLU 217.A N VAL 255.A O no hydrogen 2.760 N/A THR 221.A N SER 219.A OG no hydrogen 3.420 N/A LYS 226.A N THR 242.A O no hydrogen 3.237 N/A ASN 228.A N GLN 240.A O no hydrogen 2.987 N/A TRP 230.A N GLU 238.A O no hydrogen 2.799 N/A GLU 238.A N TRP 230.A O no hydrogen 3.177 N/A ARG 239.A N ILE 203.A O no hydrogen 2.740 N/A ARG 239.A NE TYR 237.A OH no hydrogen 3.268 N/A ARG 239.A NH1 SER 212.A OG no hydrogen 2.656 N/A ARG 239.A NH2 VAL 210.A O no hydrogen 3.436 N/A GLN 240.A N ASN 228.A O no hydrogen 2.643 N/A THR 242.A N LYS 226.A O no hydrogen 2.696 N/A THR 242.A OG1 VAL 199.A O no hydrogen 3.133 N/A THR 242.A OG1 THR 200.A OG1 no hydrogen 2.620 N/A LEU 243.A N VAL 199.A O no hydrogen 2.526 N/A THR 244.A OG1 GLU 196.A OE1 no hydrogen 2.983 N/A THR 244.A OG1 PHE 197.A O no hydrogen 3.115 N/A ILE 245.A N PHE 197.A O no hydrogen 2.427 N/A SER 247.A OG GLY 194.A O no hydrogen 3.165 N/A ALA 248.A N GLU 195.A O no hydrogen 2.776 N/A ARG 249.A N ASP 252.A OD1 no hydrogen 3.375 N/A ARG 249.A NE SER 247.A OG no hydrogen 3.404 N/A ASP 252.A N ARG 249.A O no hydrogen 2.784 N/A SER 253.A N VAL 250.A O no hydrogen 2.994 N/A SER 253.A OG VAL 250.A O no hydrogen 2.716 N/A GLY 254.A N LEU 273.A O no hydrogen 2.928 N/A PHE 256.A N THR 271.A O no hydrogen 2.967 N/A MET 257.A N LYS 215.A O no hydrogen 2.994 N/A CYS 258.A N VAL 269.A O no hydrogen 2.658 N/A TYR 259.A N THR 213.A O no hydrogen 2.769 N/A TYR 259.A OH SER 266.A OG no hydrogen 2.673 N/A ALA 260.A N ALA 267.A O no hydrogen 3.080 N/A ASN 261.A N TYR 211.A O no hydrogen 2.734 N/A ASN 262.A N GLY 265.A O no hydrogen 3.195 N/A ASN 262.A ND2 GLY 265.A O no hydrogen 3.153 N/A PHE 264.A N ASN 262.A O no hydrogen 2.637 N/A GLY 265.A N ASN 262.A O no hydrogen 3.262 N/A SER 266.A OG TYR 259.A OH no hydrogen 2.673 N/A ALA 267.A N ALA 260.A O no hydrogen 3.038 N/A VAL 269.A N CYS 258.A O no hydrogen 3.222 N/A THR 271.A N PHE 256.A O no hydrogen 3.001 N/A THR 271.A OG1 ALA 187.A O no hydrogen 3.356 N/A LEU 273.A N GLY 254.A O no hydrogen 2.666 N/A GLU 274.A N TYR 189.A O no hydrogen 3.249 N/A VAL 275.A N SER 253.A OG no hydrogen 2.865 N/A VAL 276.A N LEU 191.A O no hydrogen 3.060 N/A GLY 279.A N ASP 366.A OD1 no hydrogen 2.619 N/A PHE 280.A N PHE 308.A O no hydrogen 2.899 N/A ASN 282.A N GLU 306.A O no hydrogen 3.165 N/A PHE 284.A N GLU 304.A O no hydrogen 2.899 N/A VAL 291.A N ASN 374.A O no hydrogen 2.882 N/A VAL 293.A N TYR 376.A O no hydrogen 3.242 N/A ASN 294.A ND2 GLU 297.A OE1 no hydrogen 3.161 N/A ASP 295.A N ASN 378.A O no hydrogen 3.077 N/A GLY 296.A N LEU 350.A O no hydrogen 2.883 N/A GLU 297.A N ASN 294.A O no hydrogen 2.529 N/A VAL 299.A N LEU 347.A O no hydrogen 2.736 N/A LEU 301.A N LEU 345.A O no hydrogen 2.835 N/A VAL 303.A N SER 343.A O no hydrogen 2.959 N/A GLU 304.A N PHE 284.A O no hydrogen 3.009 N/A TYR 305.A N TYR 341.A O no hydrogen 2.929 N/A GLU 306.A N ASN 282.A O no hydrogen 2.836 N/A ALA 307.A N ILE 339.A O no hydrogen 2.956 N/A PHE 308.A N PHE 280.A O no hydrogen 2.812 N/A GLU 312.A N SER 363.A O no hydrogen 2.680 N/A GLN 314.A NE2 GLU 312.A O no hydrogen 3.224 N/A GLN 315.A N LEU 361.A O no hydrogen 2.868 N/A TRP 316.A NE1 SER 343.A OG no hydrogen 3.080 N/A ILE 317.A N THR 359.A O no hydrogen 2.864 N/A TYR 318.A N ARG 321.A O no hydrogen 3.097 N/A TYR 318.A OH GLY 355.A O no hydrogen 2.971 N/A MET 319.A N THR 357.A O no hydrogen 3.284 N/A ARG 321.A N TYR 318.A O no hydrogen 2.848 N/A TYR 330.A N VAL 342.A O no hydrogen 3.073 N/A LYS 332.A N ARG 340.A O no hydrogen 3.122 N/A LYS 332.A NZ GLU 304.A OE1 no hydrogen 2.996 N/A SER 333.A N ASN 338.A OD1 no hydrogen 2.990 N/A ASN 335.A N SER 333.A OG no hydrogen 3.392 N/A SER 337.A OG SER 337.A O no hydrogen 2.537 N/A ASN 338.A ND2 ARG 340.A O no hydrogen 3.081 N/A ARG 340.A NH2 GLU 304.A OE1 no hydrogen 3.510 N/A TYR 341.A N TYR 305.A O no hydrogen 2.757 N/A VAL 342.A N TYR 330.A O no hydrogen 3.128 N/A SER 343.A N VAL 303.A O no hydrogen 2.891 N/A SER 343.A OG GLU 328.A O no hydrogen 3.535 N/A GLU 344.A N GLU 328.A O no hydrogen 2.796 N/A LEU 345.A N LEU 301.A O no hydrogen 2.549 N/A HIS 346.A N LYS 326.A O no hydrogen 3.243 N/A LEU 347.A N VAL 299.A O no hydrogen 2.742 N/A LEU 350.A N GLU 297.A O no hydrogen 2.883 N/A GLY 355.A N GLY 352.A O no hydrogen 3.351 N/A THR 357.A OG1 PHE 373.A O no hydrogen 3.319 N/A THR 357.A OG1 ASN 374.A OD1 no hydrogen 2.656 N/A TYR 358.A OH GLU 354.A O no hydrogen 2.613 N/A THR 359.A N ILE 317.A O no hydrogen 2.905 N/A PHE 360.A N ILE 371.A O no hydrogen 2.776 N/A LEU 361.A N GLN 315.A O no hydrogen 3.060 N/A VAL 362.A N ALA 369.A O no hydrogen 3.242 N/A ASN 364.A N VAL 367.A O no hydrogen 3.089 N/A ALA 369.A N VAL 362.A O no hydrogen 3.220 N/A ILE 371.A N PHE 360.A O no hydrogen 2.963 N/A PHE 373.A N TYR 358.A O no hydrogen 2.552 N/A ASN 374.A N THR 289.A O no hydrogen 2.735 N/A VAL 375.A N GLY 356.A O no hydrogen 3.039 N/A TYR 376.A N VAL 291.A O no hydrogen 2.709 N/A ASN 378.A N VAL 293.A O no hydrogen 2.999 N/A THR 379.A N PHE 401.A O no hydrogen 3.236 N/A GLU 382.A N ALA 399.A O no hydrogen 2.815 N/A LEU 384.A N GLU 382.A O no hydrogen 2.830 N/A THR 385.A N VAL 397.A O no hydrogen 3.113 N/A THR 385.A OG1 ASP 387.A OD2 no hydrogen 3.154 N/A ARG 388.A NH2 ARG 388.A O no hydrogen 3.556 N/A LEU 394.A N ILE 439.A O no hydrogen 3.379 N/A GLN 395.A N ASP 387.A O no hydrogen 3.284 N/A CYS 396.A N SER 437.A O no hydrogen 3.211 N/A VAL 397.A N THR 385.A O no hydrogen 2.773 N/A ALA 398.A N VAL 435.A O no hydrogen 3.232 N/A ALA 399.A N GLU 382.A O no hydrogen 2.741 N/A GLY 400.A N LEU 433.A O no hydrogen 2.969 N/A THR 405.A N TYR 455.A O no hydrogen 2.899 N/A ASP 407.A N LYS 453.A O no hydrogen 3.040 N/A TYR 409.A N GLU 451.A O no hydrogen 3.355 N/A THR 425.A N GLN 436.A O no hydrogen 3.051 N/A LEU 433.A N GLY 400.A O no hydrogen 3.172 N/A VAL 435.A N ALA 398.A O no hydrogen 2.914 N/A SER 437.A N CYS 396.A O no hydrogen 3.324 N/A SER 438.A N VAL 423.A O no hydrogen 3.426 N/A ILE 439.A N LEU 394.A O no hydrogen 3.240 N/A SER 441.A N GLY 392.A O no hydrogen 2.423 N/A VAL 450.A N PHE 465.A O no hydrogen 3.195 N/A CYS 452.A N ALA 463.A O no hydrogen 3.035 N/A LYS 453.A N ASP 407.A O no hydrogen 3.194 N/A ALA 454.A N THR 461.A O no hydrogen 3.324 N/A TYR 455.A N THR 405.A O no hydrogen 2.747 N/A ASN 456.A N GLY 459.A O no hydrogen 3.073 N/A VAL 458.A N ASN 456.A OD1 no hydrogen 2.767 N/A ALA 463.A N CYS 452.A O no hydrogen 3.372 N/A PHE 465.A N VAL 450.A O no hydrogen 2.627 N/A PHE 467.A N GLY 448.A O no hydrogen 3.387 N/A