Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tub_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N CYS 129.A O no hydrogen 3.417 N/A GLU 3.A N CYS 129.A O no hydrogen 2.925 N/A VAL 5.A N GLY 132.A O no hydrogen 3.313 N/A ILE 7.A N GLN 134.A O no hydrogen 2.658 N/A GLN 8.A N ILE 64.A O no hydrogen 2.966 N/A ALA 9.A N THR 136.A OG1 no hydrogen 3.274 N/A ASN 14.A ND2 VAL 66.A O no hydrogen 2.728 N/A GLN 15.A N GLN 11.A O no hydrogen 2.792 N/A ILE 16.A N CYS 12.A O no hydrogen 2.863 N/A ALA 18.A N ASN 14.A O no hydrogen 3.262 N/A LYS 19.A N GLN 15.A O no hydrogen 3.297 N/A LYS 19.A N ILE 16.A O no hydrogen 3.218 N/A LYS 19.A NZ GLY 223.A O no hydrogen 3.380 N/A PHE 20.A N ILE 16.A O no hydrogen 3.052 N/A VAL 23.A N PHE 20.A O no hydrogen 2.957 N/A ILE 24.A N TRP 21.A O no hydrogen 3.233 N/A GLU 27.A N ILE 24.A O no hydrogen 2.036 N/A THR 33.A OG1 PRO 32.A O no hydrogen 2.531 N/A SER 35.A OG GLY 34.A O no hydrogen 2.014 N/A SER 35.A OG ASN 57.A OD1 no hydrogen 2.635 N/A HIS 37.A N SER 35.A O no hydrogen 1.705 N/A SER 40.A OG ASP 39.A O no hydrogen 1.817 N/A SER 40.A OG ASP 41.A OD1 no hydrogen 2.674 N/A ARG 46.A NH1 ASN 57.A OD1 no hydrogen 3.358 N/A ALA 55.A N ASN 52.A O no hydrogen 2.656 N/A ASN 57.A N ALA 54.A O no hydrogen 2.720 N/A ASN 57.A ND2 THR 33.A O no hydrogen 1.869 N/A LYS 58.A N ASN 57.A OD1 no hydrogen 2.830 N/A LEU 65.A N ASP 88.A O no hydrogen 3.060 N/A VAL 66.A N GLN 8.A O no hydrogen 2.405 N/A GLY 71.A N GLU 69.A O no hydrogen 2.011 N/A THR 72.A OG1 GLY 10.A O no hydrogen 3.388 N/A SER 75.A OG GLY 71.A O no hydrogen 2.814 N/A ARG 77.A N MET 73.A O no hydrogen 2.607 N/A SER 78.A OG ASP 74.A O no hydrogen 3.272 N/A SER 95.A N PHE 92.A O no hydrogen 3.022 N/A SER 95.A OG LEU 68.A O no hydrogen 2.818 N/A ALA 97.A N SER 95.A OG no hydrogen 3.321 N/A ASN 99.A ND2 GLY 98.A O no hydrogen 3.680 N/A ASN 99.A ND2 GLY 141.A O no hydrogen 3.485 N/A LYS 103.A N ASN 100.A O no hydrogen 2.728 N/A LYS 103.A NZ ASN 99.A O no hydrogen 3.107 N/A TYR 106.A N ALA 102.A O no hydrogen 2.749 N/A THR 107.A N ALA 102.A O no hydrogen 3.192 N/A GLU 108.A N THR 107.A OG1 no hydrogen 2.545 N/A ALA 110.A N THR 107.A O no hydrogen 3.278 N/A LEU 112.A N GLU 108.A O no hydrogen 3.152 N/A VAL 113.A N GLY 109.A O no hydrogen 1.949 N/A SER 115.A OG LEU 112.A O no hydrogen 2.373 N/A VAL 116.A N LEU 112.A O no hydrogen 2.551 N/A LEU 117.A N ASP 114.A O no hydrogen 2.867 N/A ARG 121.A N LEU 117.A O no hydrogen 2.920 N/A LYS 122.A N ASP 118.A O no hydrogen 3.120 N/A GLU 123.A N VAL 119.A O no hydrogen 3.141 N/A SER 124.A N VAL 120.A O no hydrogen 2.886 N/A SER 124.A OG VAL 120.A O no hydrogen 2.906 N/A SER 124.A OG ARG 121.A O no hydrogen 2.204 N/A GLU 125.A N ARG 121.A O no hydrogen 2.976 N/A SER 126.A N GLU 123.A O no hydrogen 3.237 N/A SER 126.A OG GLU 3.A OE1 no hydrogen 2.479 N/A SER 126.A OG GLU 3.A OE2 no hydrogen 2.689 N/A CYS 127.A N GLU 125.A O no hydrogen 2.089 N/A CYS 127.A SG GLU 53.A OE2 no hydrogen 3.124 N/A GLN 131.A N GLU 3.A O no hydrogen 2.897 N/A GLY 132.A N GLU 3.A O no hydrogen 3.436 N/A GLN 134.A N VAL 5.A O no hydrogen 2.813 N/A THR 136.A N ILE 7.A O no hydrogen 3.309 N/A LEU 139.A N VAL 169.A O no hydrogen 2.777 N/A GLY 141.A N SER 145.A OG no hydrogen 2.125 N/A GLY 142.A N TYR 183.A OH no hydrogen 2.271 N/A SER 145.A OG SER 138.A O no hydrogen 2.254 N/A GLY 146.A N GLY 142.A O no hydrogen 2.613 N/A MET 147.A N GLY 142.A O no hydrogen 3.053 N/A GLY 148.A N GLY 144.A O no hydrogen 2.480 N/A THR 149.A OG1 SER 145.A O no hydrogen 3.530 N/A LEU 151.A N MET 147.A O no hydrogen 2.987 N/A ILE 152.A N GLY 148.A O no hydrogen 2.946 N/A SER 153.A N THR 149.A O no hydrogen 3.276 N/A SER 153.A N LEU 150.A O no hydrogen 3.303 N/A SER 153.A OG THR 149.A O no hydrogen 3.006 N/A SER 153.A OG LEU 150.A O no hydrogen 2.340 N/A LYS 154.A N LEU 150.A O no hydrogen 3.291 N/A LYS 154.A NZ VAL 113.A O no hydrogen 2.932 N/A ILE 155.A N LEU 151.A O no hydrogen 3.241 N/A ARG 156.A N ILE 152.A O no hydrogen 2.862 N/A GLU 157.A N SER 153.A O no hydrogen 2.704 N/A GLU 158.A N LYS 154.A O no hydrogen 2.701 N/A TYR 159.A N ILE 155.A O no hydrogen 2.657 N/A ARG 162.A N TYR 159.A O no hydrogen 3.158 N/A ASN 165.A N PHE 133.A O no hydrogen 2.892 N/A THR 166.A N GLU 198.A O no hydrogen 3.438 N/A THR 166.A OG1 GLU 198.A O no hydrogen 3.485 N/A SER 168.A OG TYR 200.A O no hydrogen 1.319 N/A SER 176.A OG ASP 177.A OD1 no hydrogen 3.243 N/A THR 178.A OG1 ASP 177.A O no hydrogen 3.273 N/A TYR 183.A N VAL 179.A O no hydrogen 2.995 N/A ALA 185.A N PRO 182.A O no hydrogen 2.608 N/A THR 186.A N PRO 182.A O no hydrogen 2.722 N/A THR 186.A OG1 TYR 183.A O no hydrogen 2.914 N/A LEU 187.A N TYR 183.A O no hydrogen 3.009 N/A SER 188.A N ALA 185.A O no hydrogen 2.878 N/A SER 188.A OG ALA 185.A O no hydrogen 1.514 N/A VAL 189.A N ALA 185.A O no hydrogen 3.162 N/A HIS 190.A ND1 LEU 187.A O no hydrogen 2.723 N/A GLN 191.A N SER 188.A O no hydrogen 1.925 N/A LEU 192.A N SER 188.A O no hydrogen 3.309 N/A ASN 195.A ND2 TYR 159.A O no hydrogen 3.556 N/A THR 196.A OG1 GLN 191.A O no hydrogen 2.501 N/A ASP 197.A N MET 164.A O no hydrogen 2.789 N/A GLU 198.A N MET 164.A O no hydrogen 3.215 N/A THR 199.A OG1 HIS 264.A O no hydrogen 2.790 N/A TYR 200.A N THR 166.A O no hydrogen 2.807 N/A CYS 201.A SG PHE 266.A O no hydrogen 3.051 N/A LEU 207.A N ASP 203.A O no hydrogen 3.033 N/A CYS 211.A N LEU 207.A O no hydrogen 3.024 N/A CYS 211.A SG LEU 207.A O no hydrogen 3.138 N/A ARG 213.A N ASP 209.A O no hydrogen 2.784 N/A THR 214.A OG1 ILE 210.A O no hydrogen 2.351 N/A LEU 215.A N ILE 210.A O no hydrogen 3.113 N/A THR 219.A OG1 THR 219.A O no hydrogen 2.411 N/A ASP 224.A N THR 221.A OG1 no hydrogen 2.835 N/A LEU 225.A N THR 221.A O no hydrogen 2.995 N/A ASN 226.A N GLY 223.A O no hydrogen 2.896 N/A LEU 228.A N ASP 224.A O no hydrogen 3.380 N/A VAL 229.A N LEU 225.A O no hydrogen 3.447 N/A SER 230.A N ASN 226.A O no hydrogen 3.451 N/A SER 230.A N HIS 227.A O no hydrogen 2.987 N/A SER 230.A OG HIS 227.A O no hydrogen 2.900 N/A ALA 231.A N LEU 228.A O no hydrogen 3.004 N/A MET 233.A N VAL 229.A O no hydrogen 3.076 N/A SER 234.A N SER 230.A O no hydrogen 2.827 N/A SER 234.A OG SER 230.A O no hydrogen 3.088 N/A SER 234.A OG ALA 231.A O no hydrogen 2.939 N/A GLY 235.A N ALA 231.A O no hydrogen 3.387 N/A THR 237.A N MET 233.A O no hydrogen 2.475 N/A THR 237.A OG1 MET 233.A O no hydrogen 2.643 N/A CYS 239.A N SER 234.A O no hydrogen 2.503 N/A CYS 239.A SG SER 234.A O no hydrogen 2.920 N/A ARG 241.A N THR 238.A O no hydrogen 2.950 N/A PHE 242.A N THR 238.A O no hydrogen 2.526 N/A GLN 245.A N ASP 355.A OD1 no hydrogen 3.231 N/A LYS 252.A N ASP 249.A O no hydrogen 2.333 N/A LYS 252.A NZ ASN 247.A O no hydrogen 2.156 N/A LYS 252.A NZ ASN 247.A OD1 no hydrogen 3.497 N/A LEU 253.A N ASP 249.A O no hydrogen 3.423 N/A ALA 254.A N ARG 251.A O no hydrogen 3.015 N/A VAL 255.A N ARG 251.A O no hydrogen 3.323 N/A ASN 256.A N LYS 252.A O no hydrogen 2.877 N/A ARG 262.A NH1 GLU 421.A OE2 no hydrogen 1.489 N/A PHE 266.A N THR 199.A O no hydrogen 2.889 N/A MET 267.A N GLY 369.A O no hydrogen 2.994 N/A GLY 269.A N PHE 367.A O no hydrogen 3.281 N/A ALA 271.A N ALA 365.A O no hydrogen 3.330 N/A SER 275.A N LEU 273.A O no hydrogen 3.277 N/A SER 275.A OG THR 214.A O no hydrogen 2.921 N/A TYR 281.A N SER 278.A O no hydrogen 2.999 N/A ARG 282.A NH1 GLU 288.A OE1 no hydrogen 2.611 N/A THR 290.A N VAL 286.A O no hydrogen 2.189 N/A THR 290.A OG1 VAL 286.A O no hydrogen 3.146 N/A GLN 291.A N PRO 287.A O no hydrogen 2.622 N/A GLN 292.A N GLU 288.A O no hydrogen 3.149 N/A MET 293.A N THR 290.A O no hydrogen 2.937 N/A ASN 298.A ND2 PHE 270.A O no hydrogen 3.374 N/A MET 300.A N PRO 268.A O no hydrogen 3.241 N/A ARG 306.A NH1 ASN 337.A OD1 no hydrogen 2.744 N/A ARG 306.A NH2 PHE 294.A O no hydrogen 3.045 N/A HIS 307.A N ASP 304.A O no hydrogen 3.385 N/A GLY 308.A N ARG 306.A O no hydrogen 2.689 N/A ARG 309.A NH2 GLU 343.A OE2 no hydrogen 3.407 N/A TYR 310.A N TYR 340.A O no hydrogen 3.256 N/A LEU 311.A N ASN 370.A O no hydrogen 1.860 N/A THR 312.A OG1 MET 257.A O no hydrogen 3.419 N/A THR 312.A OG1 LEU 311.A O no hydrogen 2.569 N/A VAL 313.A N ASN 348.A O no hydrogen 2.950 N/A ALA 314.A N ILE 368.A O no hydrogen 2.947 N/A ALA 315.A N LYS 350.A O no hydrogen 2.896 N/A VAL 316.A N THR 366.A O no hydrogen 2.550 N/A PHE 317.A N ALA 352.A O no hydrogen 3.050 N/A ARG 318.A N SER 364.A OG no hydrogen 3.024 N/A VAL 326.A N SER 322.A O no hydrogen 3.074 N/A GLU 328.A N LYS 324.A O no hydrogen 2.935 N/A GLN 329.A N GLU 325.A O no hydrogen 3.141 N/A GLN 329.A N VAL 326.A O no hydrogen 3.041 N/A MET 330.A N VAL 326.A O no hydrogen 3.176 N/A GLN 334.A N LEU 331.A O no hydrogen 2.652 N/A ASN 337.A ND2 VAL 333.A O no hydrogen 1.598 N/A TYR 340.A N ASN 337.A O no hydrogen 2.090 N/A PHE 341.A N SER 338.A O no hydrogen 2.353 N/A TRP 344.A N VAL 342.A O no hydrogen 2.582 N/A LYS 350.A N VAL 313.A O no hydrogen 2.883 N/A LYS 350.A NZ ASN 256.A OD1 no hydrogen 3.001 N/A ALA 352.A N ALA 315.A O no hydrogen 3.050 N/A VAL 353.A N LEU 246.A O no hydrogen 3.109 N/A CYS 354.A SG PHE 242.A O no hydrogen 3.853 N/A LEU 361.A N PRO 358.A O no hydrogen 3.122 N/A THR 366.A N VAL 316.A O no hydrogen 2.262 N/A PHE 367.A N GLY 269.A O no hydrogen 2.986 N/A ILE 368.A N ALA 314.A O no hydrogen 2.380 N/A ASN 370.A N THR 312.A O no hydrogen 3.266 N/A ASN 370.A ND2 MET 257.A O no hydrogen 2.901 N/A THR 372.A N ARG 309.A O no hydrogen 2.047 N/A THR 372.A OG1 ARG 309.A O no hydrogen 3.077 N/A THR 372.A OG1 TYR 425.A O no hydrogen 3.447 N/A ALA 373.A N SER 371.A OG no hydrogen 3.195 N/A GLN 375.A N THR 372.A O no hydrogen 3.124 N/A GLN 375.A NE2 GLN 423.A OE1 no hydrogen 2.071 N/A GLU 376.A N ALA 373.A O no hydrogen 2.706 N/A PHE 378.A N ILE 374.A O no hydrogen 3.214 N/A LYS 379.A N GLN 375.A O no hydrogen 3.363 N/A LYS 379.A NZ VAL 419.A O no hydrogen 3.085 N/A ARG 380.A NH1 ALA 302.A O no hydrogen 3.179 N/A SER 382.A N PHE 378.A O no hydrogen 2.828 N/A SER 382.A OG PHE 378.A O no hydrogen 3.066 N/A PHE 385.A N ILE 381.A O no hydrogen 2.664 N/A THR 386.A N SER 382.A O no hydrogen 2.971 N/A THR 386.A OG1 SER 382.A O no hydrogen 3.201 N/A THR 386.A OG1 GLU 412.A OE2 no hydrogen 1.789 N/A ALA 387.A N GLU 383.A O no hydrogen 3.184 N/A MET 388.A N PHE 385.A O no hydrogen 2.993 N/A ARG 390.A N PHE 385.A O no hydrogen 3.084 N/A ARG 390.A NH1 GLU 412.A OE1 no hydrogen 2.367 N/A ARG 391.A N THR 386.A O no hydrogen 2.984 N/A PHE 394.A N PHE 389.A O no hydrogen 3.077 N/A TYR 398.A OH VAL 179.A O no hydrogen 3.303 N/A THR 399.A N LEU 395.A O no hydrogen 2.263 N/A THR 399.A OG1 LEU 395.A O no hydrogen 2.070 N/A GLU 401.A N TYR 398.A O no hydrogen 2.610 N/A THR 409.A N GLU 405.A O no hydrogen 3.417 N/A THR 409.A OG1 GLU 405.A O no hydrogen 3.371 N/A ALA 411.A N PHE 408.A O no hydrogen 3.186 N/A GLU 412.A N PHE 408.A O no hydrogen 3.063 N/A SER 413.A N THR 409.A O no hydrogen 3.208 N/A SER 413.A OG THR 409.A O no hydrogen 3.042 N/A SER 413.A OG GLU 410.A O no hydrogen 3.427 N/A ASN 414.A N GLU 410.A O no hydrogen 3.147 N/A ASN 414.A ND2 ASN 414.A O no hydrogen 2.318 N/A ASP 417.A N SER 413.A O no hydrogen 3.257 N/A VAL 419.A N ASN 416.A O no hydrogen 1.999 N/A SER 420.A N ASN 416.A O no hydrogen 3.381 N/A SER 420.A OG ASP 417.A O no hydrogen 2.811 N/A GLU 421.A N ASP 417.A O no hydrogen 2.180 N/A TYR 422.A N LEU 418.A O no hydrogen 2.781 N/A GLN 423.A N VAL 419.A O no hydrogen 3.120 N/A GLN 424.A N SER 420.A O no hydrogen 2.797 N/A TYR 425.A N TYR 422.A O no hydrogen 3.033 N/A