Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLY 131.A O no hydrogen 2.663 N/A ILE 5.A N GLY 134.A O no hydrogen 2.665 N/A ILE 7.A N SER 136.A O no hydrogen 2.773 N/A ILE 7.A N SER 136.A OG no hydrogen 3.245 N/A HIS 8.A N VAL 66.A O no hydrogen 2.882 N/A VAL 14.A N GLY 10.A O no hydrogen 2.815 N/A GLN 15.A N GLN 11.A O no hydrogen 3.406 N/A ILE 16.A N ALA 12.A O no hydrogen 3.164 N/A GLY 17.A N GLY 13.A O no hydrogen 3.125 N/A ALA 19.A N GLN 15.A O no hydrogen 2.943 N/A CYS 20.A N ILE 16.A O no hydrogen 2.687 N/A CYS 20.A SG ILE 16.A O no hydrogen 3.071 N/A TRP 21.A N GLY 17.A O no hydrogen 2.105 N/A GLU 22.A N ASN 18.A O no hydrogen 2.888 N/A LEU 23.A N ALA 19.A O no hydrogen 3.034 N/A TYR 24.A N CYS 20.A O no hydrogen 3.107 N/A CYS 25.A SG CYS 25.A O no hydrogen 2.689 N/A GLY 34.A N PRO 32.A O no hydrogen 1.889 N/A ILE 42.A N ASP 39.A O no hydrogen 2.768 N/A ASP 46.A N GLY 43.A O no hydrogen 3.481 N/A SER 48.A OG SER 48.A O no hydrogen 2.567 N/A ASN 50.A ND2 SER 48.A OG no hydrogen 3.274 N/A SER 54.A OG GLY 57.A O no hydrogen 3.429 N/A THR 56.A OG1 HIS 61.A NE2 no hydrogen 3.211 N/A LYS 60.A NZ GLY 34.A O no hydrogen 2.339 N/A HIS 61.A N ALA 58.A O no hydrogen 2.787 N/A VAL 62.A N ALA 58.A O no hydrogen 2.960 N/A PHE 67.A N GLN 91.A O no hydrogen 2.928 N/A ASP 69.A N ILE 93.A O no hydrogen 3.082 N/A THR 73.A OG1 GLN 11.A OE1 no hydrogen 3.301 N/A VAL 74.A N THR 73.A OG1 no hydrogen 2.564 N/A ASP 76.A N PRO 72.A O no hydrogen 1.963 N/A GLU 77.A N THR 73.A O no hydrogen 3.244 N/A VAL 78.A N VAL 74.A O no hydrogen 2.895 N/A ARG 79.A N ILE 75.A O no hydrogen 2.856 N/A THR 80.A OG1 ASP 76.A O no hydrogen 1.913 N/A THR 80.A OG1 ASP 76.A OD1 no hydrogen 3.422 N/A ARG 84.A N THR 82.A O no hydrogen 2.433 N/A GLN 91.A NE2 PRO 63.A O no hydrogen 3.662 N/A ILE 93.A N PHE 67.A O no hydrogen 2.835 N/A GLY 95.A N ASP 69.A O no hydrogen 3.274 N/A GLY 106.A N THR 109.A OG1 no hydrogen 2.736 N/A TYR 108.A N ALA 104.A O no hydrogen 2.626 N/A THR 109.A N ALA 104.A O no hydrogen 3.384 N/A ILE 110.A N THR 109.A OG1 no hydrogen 2.547 N/A LYS 112.A N THR 109.A O no hydrogen 3.278 N/A ILE 114.A N GLY 111.A O no hydrogen 2.935 N/A LEU 119.A N ILE 115.A O no hydrogen 2.809 N/A ASP 120.A N ASP 116.A O no hydrogen 2.708 N/A ARG 121.A N LEU 117.A O no hydrogen 3.070 N/A ILE 122.A N VAL 118.A O no hydrogen 2.798 N/A ARG 123.A N LEU 119.A O no hydrogen 2.818 N/A LYS 124.A N ASP 120.A O no hydrogen 3.058 N/A LEU 125.A N ARG 121.A O no hydrogen 2.799 N/A ALA 126.A N ILE 122.A O no hydrogen 2.351 N/A ASP 127.A N LYS 124.A O no hydrogen 2.981 N/A GLN 128.A N LYS 124.A O no hydrogen 3.255 N/A CYS 129.A SG GLN 128.A O no hydrogen 1.616 N/A THR 130.A OG1 MET 1.A O no hydrogen 3.261 N/A SER 136.A N ILE 5.A O no hydrogen 2.628 N/A SER 136.A OG ILE 5.A O no hydrogen 2.941 N/A PHE 138.A N ILE 7.A O no hydrogen 3.149 N/A HIS 139.A ND1 SER 140.A O no hydrogen 2.571 N/A PHE 141.A N ILE 171.A O no hydrogen 3.242 N/A GLY 143.A N SER 140.A OG no hydrogen 2.981 N/A THR 145.A OG1 VAL 9.A O no hydrogen 2.943 N/A GLY 146.A N GLY 143.A O no hydrogen 1.947 N/A SER 147.A N GLY 144.A O no hydrogen 3.205 N/A SER 147.A OG GLY 144.A O no hydrogen 3.213 N/A SER 147.A OG TYR 185.A OH no hydrogen 2.682 N/A GLY 148.A N SER 147.A OG no hydrogen 2.503 N/A THR 150.A OG1 GLY 146.A O no hydrogen 2.247 N/A THR 150.A OG1 SER 147.A O no hydrogen 2.448 N/A SER 151.A N SER 147.A O no hydrogen 2.510 N/A SER 151.A OG SER 147.A O no hydrogen 2.717 N/A SER 151.A OG GLY 148.A O no hydrogen 2.582 N/A LEU 152.A N GLY 148.A O no hydrogen 2.401 N/A LEU 153.A N PHE 149.A O no hydrogen 2.873 N/A MET 154.A N THR 150.A O no hydrogen 2.379 N/A ARG 156.A N LEU 152.A O no hydrogen 3.148 N/A SER 158.A N MET 154.A O no hydrogen 2.807 N/A SER 158.A OG MET 154.A O no hydrogen 3.030 N/A SER 158.A OG GLU 155.A O no hydrogen 2.472 N/A SER 158.A OG GLU 196.A O no hydrogen 2.017 N/A SER 158.A OG HIS 197.A ND1 no hydrogen 1.363 N/A VAL 159.A N GLU 155.A O no hydrogen 2.986 N/A ASP 160.A N ARG 156.A O no hydrogen 2.817 N/A TYR 161.A N LEU 157.A O no hydrogen 2.765 N/A LYS 164.A N TYR 161.A O no hydrogen 2.977 N/A LEU 167.A N PHE 135.A O no hydrogen 2.445 N/A PHE 169.A N VAL 137.A O no hydrogen 2.434 N/A SER 170.A OG PHE 202.A O no hydrogen 2.340 N/A ALA 174.A N GLN 176.A O no hydrogen 3.372 N/A TYR 185.A N SER 187.A OG no hydrogen 3.070 N/A TYR 185.A OH ASN 102.A O no hydrogen 3.205 N/A ASN 186.A ND2 VAL 182.A O no hydrogen 2.881 N/A LEU 189.A N TYR 185.A O no hydrogen 3.043 N/A THR 190.A N ASN 186.A O no hydrogen 2.445 N/A THR 190.A OG1 ASN 186.A O no hydrogen 2.570 N/A THR 191.A N ILE 188.A O no hydrogen 3.173 N/A THR 191.A OG1 ILE 188.A O no hydrogen 2.467 N/A HIS 192.A N THR 191.A OG1 no hydrogen 2.536 N/A THR 194.A N THR 193.A OG1 no hydrogen 2.572 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.483 N/A GLU 196.A N HIS 192.A O no hydrogen 2.857 N/A HIS 197.A N THR 194.A O no hydrogen 2.900 N/A SER 198.A OG THR 193.A O no hydrogen 2.805 N/A SER 198.A OG THR 194.A O no hydrogen 3.073 N/A CYS 200.A SG PHE 255.A O no hydrogen 3.059 N/A CYS 200.A SG GLN 256.A O no hydrogen 3.309 N/A ALA 201.A N HIS 266.A O no hydrogen 3.369 N/A PHE 202.A N GLU 168.A O no hydrogen 2.958 N/A VAL 204.A N SER 170.A O no hydrogen 2.756 N/A ALA 208.A N ASP 205.A O no hydrogen 2.915 N/A ILE 209.A N ASP 205.A O no hydrogen 2.915 N/A ASP 211.A N ALA 208.A O no hydrogen 3.141 N/A ILE 212.A N ALA 208.A O no hydrogen 2.776 N/A CYS 213.A SG ILE 209.A O no hydrogen 2.631 N/A ARG 214.A N ASP 211.A O no hydrogen 2.833 N/A ARG 214.A NH1 ASP 211.A OD1 no hydrogen 2.510 N/A ARG 215.A N ASP 211.A O no hydrogen 2.868 N/A ASN 216.A N ILE 212.A O no hydrogen 2.886 N/A ASN 216.A ND2 ILE 212.A O no hydrogen 3.386 N/A ASN 216.A ND2 ALA 299.A O no hydrogen 2.799 N/A LEU 217.A N ILE 212.A O no hydrogen 3.257 N/A THR 223.A OG1 THR 225.A OG1 no hydrogen 2.101 N/A THR 225.A OG1 THR 223.A OG1 no hydrogen 2.101 N/A ASN 226.A N THR 223.A O no hydrogen 2.706 N/A ASN 226.A ND2 THR 223.A O no hydrogen 3.258 N/A LEU 227.A N THR 223.A O no hydrogen 3.216 N/A ASN 228.A N TYR 224.A O no hydrogen 2.941 N/A ARG 229.A N ASN 226.A O no hydrogen 3.012 N/A ILE 231.A N LEU 227.A O no hydrogen 3.360 N/A GLY 232.A N ASN 228.A O no hydrogen 2.395 N/A GLN 233.A N ARG 229.A O no hydrogen 2.865 N/A ILE 234.A N ILE 231.A O no hydrogen 2.932 N/A SER 236.A OG GLN 233.A O no hydrogen 2.558 N/A SER 237.A N GLN 233.A O no hydrogen 3.342 N/A SER 237.A OG ILE 234.A O no hydrogen 2.108 N/A ILE 238.A N ILE 234.A O no hydrogen 3.172 N/A THR 239.A N VAL 235.A O no hydrogen 2.673 N/A SER 241.A N SER 236.A O no hydrogen 2.963 N/A SER 241.A OG SER 237.A O no hydrogen 1.687 N/A ARG 243.A N THR 239.A O no hydrogen 2.683 N/A ARG 243.A NH1 GLN 31.A OE1 no hydrogen 2.864 N/A ARG 243.A NH2 GLN 133.A O no hydrogen 2.755 N/A PHE 244.A N SER 241.A O no hydrogen 3.022 N/A ASN 249.A ND2 GLY 246.A O no hydrogen 2.484 N/A GLU 254.A N ASP 251.A O no hydrogen 2.824 N/A PHE 255.A N ASP 251.A O no hydrogen 3.132 N/A THR 257.A OG1 GLU 254.A O no hydrogen 3.348 N/A ASN 258.A N GLU 254.A O no hydrogen 3.110 N/A LEU 259.A N PHE 255.A O no hydrogen 3.181 N/A VAL 260.A N GLN 256.A O no hydrogen 2.929 N/A LEU 269.A N SER 379.A O no hydrogen 2.890 N/A THR 271.A N MET 377.A O no hydrogen 3.016 N/A ALA 273.A N VAL 375.A O no hydrogen 3.082 N/A LYS 280.A N SER 277.A O no hydrogen 3.335 N/A SER 287.A OG GLU 290.A OE1 no hydrogen 2.768 N/A GLU 290.A N SER 287.A O no hydrogen 3.142 N/A GLU 290.A N SER 287.A OG no hydrogen 3.253 N/A ILE 291.A N VAL 288.A O no hydrogen 2.803 N/A THR 292.A N ALA 289.A O no hydrogen 2.927 N/A THR 292.A OG1 ALA 289.A O no hydrogen 2.303 N/A ALA 294.A N GLU 290.A O no hydrogen 2.823 N/A CYS 295.A N ILE 291.A O no hydrogen 3.068 N/A CYS 295.A SG THR 271.A OG1 no hydrogen 3.533 N/A CYS 295.A SG ILE 291.A O no hydrogen 3.623 N/A PHE 296.A N THR 292.A O no hydrogen 3.455 N/A GLU 297.A N ASN 293.A O no hydrogen 2.753 N/A ASN 300.A ND2 ALA 294.A O no hydrogen 1.993 N/A GLN 301.A N PRO 298.A O no hydrogen 3.274 N/A GLN 301.A NE2 CYS 305.A O no hydrogen 2.121 N/A CYS 305.A SG ASP 205.A OD2 no hydrogen 3.575 N/A HIS 309.A N ASP 306.A O no hydrogen 2.851 N/A LYS 311.A NZ ASP 345.A OD1 no hydrogen 2.509 N/A CYS 315.A SG MET 313.A O no hydrogen 4.016 N/A CYS 316.A N LEU 378.A O no hydrogen 2.720 N/A CYS 316.A SG LYS 352.A O no hydrogen 3.932 N/A LEU 317.A N LYS 352.A O no hydrogen 2.641 N/A LEU 318.A N CYS 376.A O no hydrogen 3.089 N/A TYR 319.A N GLY 354.A O no hydrogen 2.535 N/A ARG 320.A NH1 SER 236.A O no hydrogen 2.888 N/A GLY 321.A N ASN 356.A O no hydrogen 2.926 N/A ASP 327.A N VAL 324.A O no hydrogen 2.739 N/A VAL 328.A N VAL 324.A O no hydrogen 3.186 N/A VAL 328.A N PRO 325.A O no hydrogen 3.264 N/A ASN 329.A N PRO 325.A O no hydrogen 3.152 N/A ALA 331.A N VAL 328.A O no hydrogen 3.093 N/A ILE 332.A N VAL 328.A O no hydrogen 2.642 N/A THR 334.A OG1 ALA 331.A O no hydrogen 2.125 N/A THR 337.A OG1 THR 334.A O no hydrogen 1.155 N/A LYS 338.A N ILE 335.A O no hydrogen 3.044 N/A LYS 338.A NZ ASN 293.A OD1 no hydrogen 3.483 N/A GLN 342.A N ARG 339.A O no hydrogen 3.398 N/A VAL 344.A N TYR 312.A O no hydrogen 3.297 N/A TRP 346.A NE1 VAL 435.A O no hydrogen 3.160 N/A CYS 347.A SG MET 313.A O no hydrogen 3.891 N/A THR 349.A OG1 PRO 348.A O no hydrogen 2.126 N/A LYS 352.A N CYS 315.A O no hydrogen 2.739 N/A LYS 352.A NZ ASN 258.A OD1 no hydrogen 2.104 N/A GLY 354.A N LEU 317.A O no hydrogen 2.859 N/A ILE 355.A N ALA 247.A O no hydrogen 3.139 N/A ILE 355.A N LEU 248.A O no hydrogen 3.310 N/A ASN 356.A N TYR 319.A O no hydrogen 2.684 N/A ASP 367.A N PRO 364.A O no hydrogen 3.100 N/A ALA 369.A N ILE 276.A O no hydrogen 3.195 N/A ARG 373.A NH1 GLN 285.A OE1 no hydrogen 2.572 N/A CYS 376.A N LEU 318.A O no hydrogen 3.190 N/A CYS 376.A SG LEU 318.A O no hydrogen 3.331 N/A MET 377.A N THR 271.A O no hydrogen 3.092 N/A LEU 378.A N CYS 316.A O no hydrogen 2.704 N/A SER 379.A N LEU 269.A O no hydrogen 3.066 N/A ASN 380.A N ALA 314.A O no hydrogen 2.564 N/A THR 382.A N LYS 311.A O no hydrogen 3.501 N/A ILE 384.A N THR 381.A O no hydrogen 3.014 N/A ALA 385.A N THR 382.A O no hydrogen 2.431 N/A GLU 386.A N ALA 383.A O no hydrogen 2.184 N/A TRP 388.A N ILE 384.A O no hydrogen 3.289 N/A ARG 390.A N GLU 386.A O no hydrogen 2.934 N/A LEU 391.A N ALA 387.A O no hydrogen 3.271 N/A ASP 392.A N TRP 388.A O no hydrogen 2.968 N/A HIS 393.A N ALA 389.A O no hydrogen 2.536 N/A LYS 394.A N ARG 390.A O no hydrogen 3.202 N/A LYS 394.A NZ ALA 174.A O no hydrogen 2.847 N/A LYS 394.A NZ GLU 183.A OE2 no hydrogen 1.765 N/A PHE 395.A N LEU 391.A O no hydrogen 2.966 N/A ASP 396.A N ASP 392.A O no hydrogen 3.007 N/A LEU 397.A N LYS 394.A O no hydrogen 3.246 N/A MET 398.A N PHE 395.A O no hydrogen 3.074 N/A TYR 399.A N PHE 395.A O no hydrogen 3.268 N/A TYR 399.A OH VAL 181.A O no hydrogen 2.324 N/A ALA 400.A N PHE 395.A O no hydrogen 3.263 N/A PHE 404.A N TYR 399.A O no hydrogen 3.225 N/A TYR 408.A OH TYR 399.A OH no hydrogen 3.000 N/A GLU 411.A N TYR 408.A O no hydrogen 2.772 N/A GLY 412.A N VAL 409.A O no hydrogen 2.398 N/A SER 419.A OG GLU 415.A O no hydrogen 2.696 N/A ALA 421.A N PHE 418.A O no hydrogen 3.194 N/A GLU 423.A N SER 419.A O no hydrogen 3.226 N/A ASP 424.A N GLU 420.A O no hydrogen 3.160 N/A ALA 427.A N GLU 423.A O no hydrogen 3.250 N/A GLU 429.A N ALA 426.A O no hydrogen 1.998 N/A ASP 431.A N ALA 427.A O no hydrogen 2.190 N/A TYR 432.A N LEU 428.A O no hydrogen 2.772 N/A GLU 433.A N GLU 429.A O no hydrogen 3.126 N/A GLU 434.A N LYS 430.A O no hydrogen 2.986 N/A VAL 435.A N TYR 432.A O no hydrogen 2.779 N/A GLY 436.A N GLU 433.A O no hydrogen 3.224 N/A