Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7a98_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N THR 2.A O no hydrogen 3.259 N/A ALA 7.A N ILE 3.A O no hydrogen 3.252 N/A PHE 10.A N GLN 6.A O no hydrogen 3.446 N/A LEU 11.A N ALA 7.A O no hydrogen 3.398 N/A ASP 12.A N LYS 8.A O no hydrogen 3.011 N/A LYS 13.A N THR 9.A O no hydrogen 3.170 N/A LYS 13.A NZ GLU 17.A OE2 no hydrogen 3.420 N/A PHE 14.A N PHE 10.A O no hydrogen 3.393 N/A ASN 15.A N LEU 11.A O no hydrogen 3.088 N/A HIS 16.A N ASP 12.A O no hydrogen 3.234 N/A GLU 17.A N PHE 14.A O no hydrogen 3.259 N/A ALA 18.A N PHE 14.A O no hydrogen 2.849 N/A PHE 22.A N ALA 18.A O no hydrogen 2.871 N/A TYR 23.A N GLU 19.A O no hydrogen 3.191 N/A TYR 23.A OH ASP 330.A OD2 no hydrogen 2.845 N/A SER 25.A N LEU 21.A O no hydrogen 3.363 N/A SER 26.A N PHE 22.A O no hydrogen 3.226 N/A SER 26.A OG PHE 22.A O no hydrogen 3.209 N/A LEU 27.A N TYR 23.A O no hydrogen 2.903 N/A ALA 28.A N GLN 24.A O no hydrogen 3.051 N/A SER 29.A N SER 25.A O no hydrogen 3.390 N/A TRP 30.A N SER 26.A O no hydrogen 3.371 N/A ASN 31.A N LEU 27.A O no hydrogen 3.318 N/A TYR 32.A N ALA 28.A O no hydrogen 3.466 N/A ASN 33.A N SER 29.A O no hydrogen 3.309 N/A THR 34.A N TRP 30.A O no hydrogen 3.046 N/A THR 34.A OG1 TRP 30.A O no hydrogen 2.901 N/A ASN 35.A N ASN 31.A O no hydrogen 3.167 N/A ILE 36.A N LYS 316.A O no hydrogen 3.110 N/A THR 37.A OG1 ASN 35.A O no hydrogen 3.470 N/A ASN 40.A ND2 ASN 35.A O no hydrogen 3.271 N/A ASN 43.A N GLU 39.A O no hydrogen 3.352 N/A MET 44.A N ASN 40.A O no hydrogen 3.195 N/A ASN 45.A N VAL 41.A O no hydrogen 3.164 N/A ASN 46.A N GLN 42.A O no hydrogen 2.956 N/A ALA 47.A N ASN 43.A O no hydrogen 3.060 N/A GLY 48.A N MET 44.A O no hydrogen 3.009 N/A ASP 49.A N ASN 45.A O no hydrogen 2.946 N/A LYS 50.A N ASN 46.A O no hydrogen 3.500 N/A LYS 50.A NZ ASN 46.A O no hydrogen 2.592 N/A TRP 51.A N ALA 47.A O no hydrogen 3.380 N/A SER 52.A N GLY 48.A O no hydrogen 3.051 N/A ALA 53.A N ASP 49.A O no hydrogen 2.967 N/A PHE 54.A N LYS 50.A O no hydrogen 2.961 N/A LEU 55.A N TRP 51.A O no hydrogen 3.126 N/A LYS 56.A N SER 52.A O no hydrogen 3.255 N/A GLU 57.A N ALA 53.A O no hydrogen 3.011 N/A GLN 58.A N PHE 54.A O no hydrogen 3.144 N/A SER 59.A N LEU 55.A O no hydrogen 3.132 N/A SER 59.A OG LEU 82.A O no hydrogen 3.211 N/A SER 59.A OG GLN 84.A O no hydrogen 3.347 N/A THR 60.A OG1 LYS 56.A O no hydrogen 3.248 N/A ALA 62.A N GLN 58.A O no hydrogen 3.255 N/A GLN 63.A N THR 60.A O no hydrogen 3.346 N/A GLN 63.A NE2 GLN 83.A O no hydrogen 3.225 N/A GLN 71.A N GLU 4.A OE2 no hydrogen 2.916 N/A THR 74.A OG1 ASN 72.A O no hydrogen 3.257 N/A LYS 76.A NZ ASN 185.A O no hydrogen 3.360 N/A GLN 78.A N VAL 75.A O no hydrogen 3.119 N/A LEU 79.A N VAL 75.A O no hydrogen 3.120 N/A LEU 79.A N LYS 76.A O no hydrogen 3.356 N/A GLN 83.A N LEU 79.A O no hydrogen 2.966 N/A SER 88.A OG ASN 85.A O no hydrogen 2.879 N/A LEU 98.A N LYS 94.A O no hydrogen 3.133 N/A ASN 99.A N SER 95.A O no hydrogen 3.241 N/A THR 100.A N LYS 96.A O no hydrogen 3.096 N/A THR 100.A OG1 LYS 96.A O no hydrogen 2.382 N/A ASN 103.A N THR 100.A O no hydrogen 3.105 N/A THR 104.A N THR 100.A O no hydrogen 3.088 N/A THR 104.A OG1 ILE 101.A O no hydrogen 2.744 N/A MET 105.A N ILE 101.A O no hydrogen 3.273 N/A SER 106.A OG LEU 102.A O no hydrogen 2.977 N/A SER 106.A OG ASN 483.A OD1 no hydrogen 3.171 N/A THR 107.A N ASN 103.A O no hydrogen 2.984 N/A THR 107.A OG1 ASN 103.A O no hydrogen 2.663 N/A ILE 108.A N THR 104.A O no hydrogen 3.411 N/A SER 110.A N SER 106.A O no hydrogen 3.075 N/A SER 110.A OG SER 106.A O no hydrogen 2.692 N/A THR 111.A N THR 107.A O no hydrogen 3.101 N/A THR 111.A OG1 THR 107.A O no hydrogen 3.033 N/A THR 111.A OG1 ILE 108.A O no hydrogen 3.339 N/A LYS 113.A NZ THR 111.A OG1 no hydrogen 3.150 N/A CYS 116.A N GLY 112.A O no hydrogen 3.213 N/A LEU 117.A N VAL 114.A O no hydrogen 3.266 N/A LEU 123.A N LEU 118.A O no hydrogen 2.696 N/A ILE 126.A N LEU 123.A O no hydrogen 3.206 N/A MET 127.A N LEU 123.A O no hydrogen 3.403 N/A TYR 133.A N ASP 132.A OD1 no hydrogen 2.476 N/A ASN 134.A N ASP 132.A OD1 no hydrogen 3.181 N/A GLU 141.A N LEU 137.A O no hydrogen 3.150 N/A SER 142.A N TRP 138.A O no hydrogen 3.119 N/A SER 142.A OG TRP 138.A O no hydrogen 3.051 N/A SER 142.A OG ALA 139.A O no hydrogen 3.006 N/A ARG 144.A NH1 MET 245.A O no hydrogen 2.943 N/A SER 145.A N GLU 141.A O no hydrogen 3.294 N/A VAL 147.A N TRP 143.A O no hydrogen 3.011 N/A TYR 155.A N LEU 151.A O no hydrogen 3.164 N/A TYR 158.A OH ASP 484.A OD1 no hydrogen 2.897 N/A LEU 161.A N GLU 157.A O no hydrogen 3.402 N/A LYS 162.A NZ ASP 484.A OD1 no hydrogen 3.218 N/A ASN 163.A N VAL 159.A O no hydrogen 3.134 N/A GLU 164.A N VAL 160.A O no hydrogen 3.412 N/A MET 165.A N LEU 161.A O no hydrogen 3.183 N/A ALA 166.A N LYS 162.A O no hydrogen 3.154 N/A ARG 167.A N ASN 163.A O no hydrogen 3.256 N/A ARG 167.A NE ASN 163.A O no hydrogen 3.305 N/A ASN 169.A N ALA 166.A O no hydrogen 3.448 N/A TYR 174.A OH ASP 484.A OD1 no hydrogen 2.464 N/A TYR 177.A N TYR 174.A O no hydrogen 3.275 N/A GLY 180.A N TYR 177.A O no hydrogen 3.234 N/A GLU 183.A N GLY 180.A O no hydrogen 3.307 N/A VAL 184.A N TYR 192.A O no hydrogen 3.262 N/A ASN 185.A ND2 GLN 80.A OE1 no hydrogen 3.578 N/A ARG 194.A NE ASP 176.A OD1 no hydrogen 3.196 N/A ARG 194.A NH1 GLU 183.A OE1 no hydrogen 2.853 N/A GLN 196.A N SER 193.A O no hydrogen 3.393 N/A ILE 198.A N GLY 195.A O no hydrogen 3.386 N/A GLU 199.A N GLN 196.A O no hydrogen 3.193 N/A VAL 201.A N GLU 199.A O no hydrogen 2.361 N/A HIS 203.A N ASP 200.A O no hydrogen 3.030 N/A THR 204.A N ASP 200.A O no hydrogen 2.925 N/A THR 204.A OG1 ASP 200.A O no hydrogen 3.334 N/A THR 204.A OG1 VAL 201.A O no hydrogen 3.068 N/A PHE 205.A N VAL 201.A O no hydrogen 3.374 N/A GLU 206.A N HIS 203.A O no hydrogen 3.369 N/A ILE 208.A N THR 204.A O no hydrogen 3.169 N/A LYS 209.A NZ GLU 213.A OE2 no hydrogen 3.101 N/A TYR 212.A N ILE 208.A O no hydrogen 3.110 N/A TYR 212.A OH VAL 460.A O no hydrogen 2.437 N/A GLU 213.A N LYS 209.A O no hydrogen 3.085 N/A HIS 216.A N TYR 212.A O no hydrogen 2.993 N/A ALA 217.A N GLU 213.A O no hydrogen 3.094 N/A VAL 219.A N LEU 215.A O no hydrogen 3.446 N/A ARG 220.A N HIS 216.A O no hydrogen 3.112 N/A ARG 220.A NH1 SER 577.A O no hydrogen 2.997 N/A ARG 220.A NH1 GLY 580.A O no hydrogen 3.133 N/A ARG 220.A NH2 SER 232.A O no hydrogen 3.458 N/A ARG 220.A NH2 PRO 233.A O no hydrogen 2.542 N/A ALA 221.A N ALA 217.A O no hydrogen 2.962 N/A LYS 222.A N TYR 218.A O no hydrogen 3.229 N/A TYR 227.A N LEU 223.A O no hydrogen 3.113 N/A TYR 227.A OH ASP 132.A O no hydrogen 3.009 N/A GLY 235.A N SER 232.A O no hydrogen 3.072 N/A CYS 236.A SG SER 582.A O no hydrogen 3.275 N/A LEU 241.A N PRO 238.A O no hydrogen 3.473 N/A TRP 246.A N ASP 244.A OD2 no hydrogen 2.994 N/A ARG 248.A N ASP 244.A OD2 no hydrogen 3.102 N/A THR 251.A OG1 LEU 419.A O no hydrogen 3.401 N/A THR 251.A OG1 THR 420.A OG1 no hydrogen 2.430 N/A ASN 252.A ND2 ASN 124.A OD1 no hydrogen 2.956 N/A ASN 252.A ND2 GLY 243.A O no hydrogen 2.872 N/A LEU 253.A N TRP 250.A O no hydrogen 3.372 N/A TYR 254.A N THR 251.A O no hydrogen 3.141 N/A TYR 254.A OH ASN 412.A O no hydrogen 3.244 N/A LEU 256.A N LEU 253.A O no hydrogen 3.423 N/A THR 257.A OG1 LEU 253.A O no hydrogen 3.348 N/A ASN 265.A ND2 TYR 254.A OH no hydrogen 2.638 N/A THR 269.A N ASP 267.A OD1 no hydrogen 3.072 N/A THR 269.A OG1 ASP 267.A OD1 no hydrogen 2.610 N/A THR 269.A OG1 ASP 267.A OD2 no hydrogen 3.296 N/A MET 272.A N THR 269.A O no hydrogen 3.188 N/A VAL 273.A N THR 269.A O no hydrogen 3.450 N/A ASP 274.A N ASP 270.A O no hydrogen 3.417 N/A GLN 275.A NE2 GLY 397.A O no hydrogen 2.701 N/A ALA 276.A N VAL 273.A O no hydrogen 3.243 N/A TRP 277.A NE1 GLN 275.A OE1 no hydrogen 3.033 N/A GLN 280.A N ASP 278.A O no hydrogen 2.703 N/A ARG 281.A N ASP 278.A OD1 no hydrogen 2.681 N/A ARG 281.A NE GLU 285.A OE2 no hydrogen 2.730 N/A ARG 281.A NH1 GLN 275.A O no hydrogen 3.289 N/A ARG 281.A NH2 GLU 285.A OE2 no hydrogen 3.255 N/A ILE 282.A N ALA 279.A O no hydrogen 3.135 N/A PHE 283.A N GLN 280.A O no hydrogen 2.649 N/A GLU 285.A N ARG 281.A O no hydrogen 3.143 N/A ALA 286.A N ILE 282.A O no hydrogen 2.951 N/A LYS 288.A NZ LYS 284.A O no hydrogen 3.424 N/A PHE 290.A N GLU 287.A O no hydrogen 3.248 N/A SER 292.A N LYS 288.A O no hydrogen 3.265 N/A SER 292.A OG LYS 288.A O no hydrogen 2.907 N/A SER 306.A OG PHE 302.A O no hydrogen 2.409 N/A GLN 315.A NE2 THR 34.A O no hydrogen 3.446 N/A LYS 316.A NZ ILE 36.A O no hydrogen 3.148 N/A VAL 318.A N ASN 33.A O no hydrogen 3.237 N/A THR 322.A OG1 HIS 320.A O no hydrogen 2.557 N/A ASP 330.A N GLY 327.A O no hydrogen 3.083 N/A CYS 336.A SG ASP 310.A OD1 no hydrogen 3.353 N/A THR 337.A OG1 MET 335.A O no hydrogen 3.317 N/A PHE 344.A N MET 341.A O no hydrogen 3.256 N/A LEU 345.A N MET 341.A O no hydrogen 3.225 N/A THR 346.A N ASP 342.A O no hydrogen 3.424 N/A THR 346.A OG1 ASP 342.A O no hydrogen 3.084 N/A HIS 349.A ND1 GLU 350.A OE1 no hydrogen 2.941 N/A HIS 349.A NE2 GLU 381.A OE2 no hydrogen 2.711 N/A GLU 350.A N THR 346.A O no hydrogen 3.396 N/A MET 351.A N ALA 347.A O no hydrogen 3.042 N/A ILE 354.A N MET 351.A O no hydrogen 3.114 N/A GLN 355.A N MET 351.A O no hydrogen 3.177 N/A TYR 356.A N GLY 352.A O no hydrogen 3.028 N/A ASP 357.A N HIS 353.A O no hydrogen 3.496 N/A MET 358.A N ILE 354.A O no hydrogen 3.336 N/A ALA 359.A N TYR 356.A O no hydrogen 3.133 N/A TYR 360.A OH ASP 357.A OD1 no hydrogen 2.577 N/A GLN 363.A N TYR 360.A O no hydrogen 3.332 N/A LEU 367.A N PRO 364.A O no hydrogen 3.205 N/A ARG 368.A N PHE 365.A O no hydrogen 3.335 N/A ARG 368.A NH2 ASP 325.A OD1 no hydrogen 3.299 N/A GLY 370.A N HIS 376.A NE2 no hydrogen 3.080 N/A VAL 379.A N HIS 376.A O no hydrogen 3.266 N/A GLY 380.A N GLU 377.A O no hydrogen 3.237 N/A GLU 381.A N GLU 377.A O no hydrogen 3.134 N/A SER 384.A N GLY 380.A O no hydrogen 3.245 N/A SER 384.A OG LEU 345.A O no hydrogen 3.026 N/A LEU 385.A N GLU 381.A O no hydrogen 3.092 N/A SER 386.A OG ILE 382.A O no hydrogen 3.404 N/A SER 386.A OG GLN 501.A OE1 no hydrogen 3.440 N/A ALA 387.A N SER 384.A O no hydrogen 3.324 N/A ALA 388.A N LEU 385.A O no hydrogen 3.485 N/A THR 389.A OG1 LEU 385.A O no hydrogen 3.434 N/A HIS 392.A N THR 389.A O no hydrogen 3.257 N/A HIS 392.A ND1 ASP 518.A OD1 no hydrogen 3.249 N/A LEU 393.A N THR 389.A O no hydrogen 3.294 N/A LYS 394.A NZ LYS 391.A O no hydrogen 2.406 N/A SER 395.A OG SER 395.A O no hydrogen 2.558 N/A THR 409.A N ASP 406.A OD1 no hydrogen 3.138 N/A THR 409.A OG1 ASP 406.A OD1 no hydrogen 2.493 N/A ASN 412.A ND2 PHE 260.A O no hydrogen 3.397 N/A PHE 413.A N THR 409.A O no hydrogen 3.358 N/A LEU 414.A N GLU 410.A O no hydrogen 3.047 N/A LEU 415.A N ILE 411.A O no hydrogen 3.172 N/A LYS 416.A NZ GLN 417.A OE1 no hydrogen 2.751 N/A GLN 417.A N PHE 413.A O no hydrogen 3.458 N/A ALA 418.A N LEU 414.A O no hydrogen 3.227 N/A LEU 419.A N LYS 416.A O no hydrogen 3.439 N/A THR 420.A OG1 THR 251.A OG1 no hydrogen 2.430 N/A ILE 421.A N GLN 417.A O no hydrogen 3.103 N/A THR 424.A OG1 THR 424.A O no hydrogen 2.489 N/A THR 428.A N THR 424.A O no hydrogen 3.256 N/A THR 428.A OG1 THR 424.A O no hydrogen 2.900 N/A TYR 429.A N LEU 425.A O no hydrogen 3.268 N/A MET 430.A N PRO 426.A O no hydrogen 3.027 N/A LEU 431.A N PHE 427.A O no hydrogen 3.384 N/A GLU 432.A N THR 428.A O no hydrogen 3.029 N/A LYS 433.A N TYR 429.A O no hydrogen 3.329 N/A TRP 434.A N MET 430.A O no hydrogen 2.989 N/A ARG 435.A N LEU 431.A O no hydrogen 3.143 N/A ARG 435.A NE LEU 431.A O no hydrogen 3.001 N/A MET 437.A N TRP 434.A O no hydrogen 3.350 N/A PHE 439.A N ARG 435.A O no hydrogen 3.166 N/A GLY 441.A N MET 437.A O no hydrogen 3.173 N/A GLU 442.A N MET 437.A O no hydrogen 2.891 N/A GLN 447.A N PRO 444.A O no hydrogen 3.395 N/A LYS 451.A N GLN 447.A O no hydrogen 3.450 N/A LYS 451.A NZ GLU 454.A OE1 no hydrogen 2.823 N/A MET 455.A N LYS 451.A O no hydrogen 3.370 N/A ILE 459.A N LYS 456.A O no hydrogen 3.392 N/A GLY 461.A N LYS 456.A O no hydrogen 2.345 N/A SER 477.A N ASP 474.A O no hydrogen 3.358 N/A LEU 478.A N PRO 475.A O no hydrogen 3.283 N/A SER 482.A N LEU 478.A O no hydrogen 3.010 N/A SER 482.A OG LEU 478.A O no hydrogen 2.844 N/A SER 482.A OG PHE 479.A O no hydrogen 3.452 N/A ASP 484.A N VAL 481.A O no hydrogen 3.354 N/A TYR 485.A N HIS 480.A O no hydrogen 2.605 N/A SER 486.A OG GLU 373.A OE2 no hydrogen 3.108 N/A ARG 489.A NH2 HIS 480.A NE2 no hydrogen 3.151 N/A TYR 491.A N ILE 488.A O no hydrogen 3.270 N/A THR 492.A OG1 ARG 489.A O no hydrogen 3.566 N/A THR 494.A OG1 ILE 421.A O no hydrogen 3.233 N/A THR 494.A OG1 TYR 490.A O no hydrogen 3.527 N/A TYR 496.A N THR 492.A O no hydrogen 3.009 N/A GLN 497.A NE2 GLU 381.A O no hydrogen 3.642 N/A GLN 499.A N LEU 495.A O no hydrogen 3.393 N/A PHE 500.A N TYR 496.A O no hydrogen 3.337 N/A GLN 501.A NE2 ILE 382.A O no hydrogen 3.525 N/A GLU 502.A N PHE 498.A O no hydrogen 3.054 N/A ALA 503.A N GLN 499.A O no hydrogen 3.300 N/A LEU 504.A N PHE 500.A O no hydrogen 3.267 N/A CYS 505.A N GLN 501.A O no hydrogen 3.169 N/A CYS 505.A SG GLN 501.A O no hydrogen 3.211 N/A CYS 505.A SG GLN 501.A OE1 no hydrogen 3.290 N/A GLN 506.A N ALA 503.A O no hydrogen 3.384 N/A LYS 516.A NZ HIS 510.A NE2 no hydrogen 3.078 N/A LYS 516.A NZ PRO 513.A O no hydrogen 2.901 N/A CYS 517.A SG ASP 518.A O no hydrogen 3.301 N/A ILE 519.A N HIS 392.A ND1 no hydrogen 3.437 N/A SER 520.A OG ASP 518.A OD1 no hydrogen 3.364 N/A LYS 528.A N GLU 524.A O no hydrogen 3.253 N/A LEU 529.A N ALA 525.A O no hydrogen 3.317 N/A PHE 530.A N GLY 526.A O no hydrogen 3.180 N/A ASN 531.A N LYS 528.A O no hydrogen 3.390 N/A ARG 534.A N ASN 531.A O no hydrogen 3.417 N/A LEU 535.A N MET 532.A O no hydrogen 3.309 N/A LYS 537.A N LEU 367.A O no hydrogen 2.841 N/A SER 538.A N LEU 535.A O no hydrogen 3.409 N/A SER 538.A OG LEU 535.A O no hydrogen 2.463 N/A TRP 541.A NE1 TYR 182.A O no hydrogen 2.790 N/A ALA 544.A N PRO 540.A O no hydrogen 3.313 N/A LEU 545.A N TRP 541.A O no hydrogen 3.087 N/A GLU 546.A N LEU 543.A O no hydrogen 3.343 N/A VAL 548.A N LEU 545.A O no hydrogen 3.358 N/A VAL 549.A N LEU 545.A O no hydrogen 3.052 N/A GLY 550.A N LEU 545.A O no hydrogen 3.158 N/A ASN 553.A ND2 ASP 200.A OD2 no hydrogen 2.456 N/A ASN 555.A N GLN 499.A OE1 no hydrogen 2.492 N/A ARG 557.A N ASN 555.A OD1 no hydrogen 3.168 N/A LEU 559.A N VAL 556.A O no hydrogen 3.122 N/A LEU 560.A N VAL 556.A O no hydrogen 3.295 N/A LEU 560.A N ARG 557.A O no hydrogen 3.178 N/A PHE 567.A N PHE 563.A O no hydrogen 2.893 N/A THR 568.A N GLU 564.A O no hydrogen 3.290 N/A THR 568.A OG1 GLU 564.A O no hydrogen 3.127 N/A TRP 569.A N PRO 565.A O no hydrogen 3.273 N/A LEU 570.A N LEU 566.A O no hydrogen 2.994 N/A LYS 571.A N THR 568.A O no hydrogen 3.327 N/A GLN 573.A N TRP 569.A O no hydrogen 3.348 N/A ASN 574.A N LEU 570.A O no hydrogen 3.298 N/A ASN 574.A ND2 HIS 214.A O no hydrogen 2.546 N/A SER 577.A N ASN 574.A O no hydrogen 2.898 N/A ASP 584.A N SER 582.A OG no hydrogen 3.416 N/A TYR 588.A OH GLU 464.A OE2 no hydrogen 2.752 N/A