Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ala_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A N LEU 282.A O no hydrogen 2.350 N/A HIS 3.A NE2 ILE 19.A O no hydrogen 3.114 N/A SER 4.A OG HIS 3.A O no hydrogen 2.685 N/A SER 4.A OG SER 279.A OG no hydrogen 2.914 N/A MET 7.A N ILE 276.A O no hydrogen 2.919 N/A ASN 9.A N GLY 274.A O no hydrogen 2.859 N/A VAL 10.A N PRO 8.A O no hydrogen 3.115 N/A GLY 12.A N VAL 33.A O no hydrogen 3.209 N/A TYR 15.A N MET 31.A O no hydrogen 3.180 N/A LYS 16.A NZ LEU 339.A O no hydrogen 2.752 N/A ALA 17.A N LEU 29.A O no hydrogen 3.051 N/A ILE 19.A N HIS 3.A NE2 no hydrogen 3.324 N/A ARG 21.A NH2 ASP 284.A OD1 no hydrogen 3.563 N/A LEU 27.A N SER 25.A O no hydrogen 3.262 N/A THR 28.A OG1 HIS 18.A ND1 no hydrogen 3.424 N/A THR 28.A OG1 SER 329.A O no hydrogen 3.514 N/A THR 28.A OG1 VAL 330.A O no hydrogen 3.518 N/A LEU 29.A N ALA 17.A O no hydrogen 3.142 N/A GLN 30.A N MET 136.A O no hydrogen 2.693 N/A MET 31.A N TYR 15.A O no hydrogen 3.326 N/A GLN 32.A N ARG 134.A O no hydrogen 3.322 N/A VAL 34.A N LYS 132.A O no hydrogen 3.132 N/A THR 36.A N ASN 270.A OD1 no hydrogen 3.127 N/A THR 36.A OG1 ASN 9.A OD1 no hydrogen 3.257 N/A SER 37.A OG GLU 39.A OE2 no hydrogen 2.916 N/A LEU 38.A N ALA 268.A O no hydrogen 3.106 N/A GLU 39.A N SER 128.A O no hydrogen 3.433 N/A THR 41.A N HIS 125.A O no hydrogen 3.153 N/A THR 41.A OG1 HIS 125.A O no hydrogen 3.221 N/A THR 41.A OG1 THR 126.A O no hydrogen 3.271 N/A ASN 43.A N LYS 123.A O no hydrogen 2.795 N/A GLU 45.A N ALA 121.A O no hydrogen 2.750 N/A TYR 46.A N ALA 121.A O no hydrogen 3.377 N/A TYR 46.A OH PRO 190.A O no hydrogen 2.626 N/A ILE 47.A N SER 205.A O no hydrogen 2.628 N/A THR 48.A N ALA 119.A O no hydrogen 3.305 N/A THR 48.A OG1 ILE 203.A O no hydrogen 3.026 N/A CYS 49.A SG GLU 50.A O no hydrogen 3.391 N/A TYR 51.A OH THR 236.A O no hydrogen 2.582 N/A LYS 52.A N ASP 109.A O no hydrogen 3.075 N/A LYS 52.A NZ ASP 109.A OD2 no hydrogen 3.268 N/A THR 53.A OG1 GLN 235.A OE1 no hydrogen 3.015 N/A VAL 54.A N TYR 107.A O no hydrogen 2.733 N/A TYR 59.A N LEU 103.A O no hydrogen 3.278 N/A LYS 61.A N THR 101.A O no hydrogen 2.874 N/A LYS 61.A NZ TYR 59.A OH no hydrogen 2.689 N/A CYS 63.A N ASN 100.A OD1 no hydrogen 2.891 N/A GLY 64.A N GLU 99.A O no hydrogen 3.144 N/A SER 66.A OG THR 101.A OG1 no hydrogen 3.105 N/A SER 69.A OG THR 70.A O no hydrogen 3.558 N/A TYR 76.A OH GLU 105.A OE1 no hydrogen 2.579 N/A GLN 77.A N ALA 106.A O no hydrogen 2.967 N/A GLN 77.A NE2 ASP 75.A O no hydrogen 3.018 N/A CYS 78.A SG TYR 76.A OH no hydrogen 3.363 N/A LYS 79.A N SER 104.A O no hydrogen 2.904 N/A TYR 81.A N GLN 102.A O no hydrogen 2.761 N/A GLY 83.A N ASN 100.A O no hydrogen 2.987 N/A TYR 85.A OH GLN 102.A OE1 no hydrogen 2.638 N/A GLY 90.A N PHE 87.A O no hydrogen 2.914 N/A ASN 100.A ND2 TYR 85.A O no hydrogen 3.353 N/A ASN 100.A ND2 CYS 96.A O no hydrogen 3.071 N/A THR 101.A N LYS 61.A O no hydrogen 2.998 N/A THR 101.A OG1 GLY 64.A O no hydrogen 2.701 N/A THR 101.A OG1 SER 66.A OG no hydrogen 3.105 N/A GLN 102.A N TYR 81.A O no hydrogen 2.968 N/A GLN 102.A NE2 SER 104.A OG no hydrogen 3.416 N/A GLN 102.A NE2 HIS 230.A O no hydrogen 2.683 N/A LEU 103.A N TYR 59.A O no hydrogen 2.843 N/A SER 104.A N LYS 79.A O no hydrogen 2.892 N/A ALA 106.A N GLN 77.A O no hydrogen 3.117 N/A TYR 107.A N VAL 54.A O no hydrogen 2.908 N/A VAL 108.A N PRO 74.A O no hydrogen 2.789 N/A ASP 109.A N LYS 52.A O no hydrogen 3.039 N/A ARG 110.A N ASP 109.A OD1 no hydrogen 2.526 N/A SER 111.A N GLU 50.A O no hydrogen 3.270 N/A VAL 113.A N SER 111.A OG no hydrogen 2.927 N/A CYS 114.A N SER 111.A O no hydrogen 3.343 N/A ARG 115.A NH1 ASP 112.A O no hydrogen 3.287 N/A HIS 116.A N VAL 113.A O no hydrogen 3.128 N/A ASP 117.A N VAL 113.A O no hydrogen 2.970 N/A ALA 119.A N THR 48.A O no hydrogen 3.006 N/A SER 120.A N VAL 179.A O no hydrogen 2.919 N/A ALA 121.A N TYR 46.A O no hydrogen 3.082 N/A TYR 122.A N ILE 177.A O no hydrogen 2.845 N/A LYS 123.A N ASN 43.A O no hydrogen 2.952 N/A ALA 124.A N ASN 175.A O no hydrogen 3.040 N/A HIS 125.A N THR 41.A O no hydrogen 2.756 N/A SER 128.A N GLU 39.A O no hydrogen 3.181 N/A LYS 130.A N SER 37.A O no hydrogen 3.364 N/A LYS 130.A NZ ASP 145.A OD1 no hydrogen 3.412 N/A ALA 131.A N VAL 146.A O no hydrogen 3.062 N/A ARG 134.A N GLN 32.A O no hydrogen 3.043 N/A ARG 134.A NH1 ASN 141.A OD1 no hydrogen 3.210 N/A VAL 135.A N GLN 142.A O no hydrogen 3.219 N/A MET 136.A N GLN 30.A O no hydrogen 2.651 N/A TYR 137.A OH ILE 156.A O no hydrogen 2.379 N/A TYR 137.A OH THR 159.A OG1 no hydrogen 2.731 N/A THR 143.A OG1 VAL 133.A O no hydrogen 3.055 N/A VAL 144.A N VAL 133.A O no hydrogen 2.813 N/A VAL 146.A N ALA 131.A O no hydrogen 3.476 N/A VAL 148.A N LEU 129.A O no hydrogen 2.752 N/A HIS 152.A N ASN 149.A OD1 no hydrogen 3.081 N/A VAL 154.A N PHE 161.A O no hydrogen 2.892 N/A THR 155.A OG1 GLN 160.A OE1 no hydrogen 3.167 N/A ILE 156.A N THR 159.A O no hydrogen 2.800 N/A THR 159.A N ILE 156.A O no hydrogen 3.072 N/A THR 159.A OG1 TYR 137.A OH no hydrogen 2.731 N/A GLN 160.A N ASN 281.A O no hydrogen 3.414 N/A PHE 161.A N VAL 154.A O no hydrogen 2.706 N/A ILE 162.A N SER 279.A O no hydrogen 2.922 N/A GLY 164.A N PRO 277.A O no hydrogen 2.467 N/A SER 167.A N ASN 275.A O no hydrogen 3.170 N/A SER 167.A OG ASN 275.A O no hydrogen 3.070 N/A PHE 173.A N THR 171.A OG1 no hydrogen 3.022 N/A ASP 174.A N ASN 186.A OD1 no hydrogen 2.726 N/A LYS 176.A NZ ASP 188.A OD1 no hydrogen 3.359 N/A LYS 176.A NZ PHE 189.A O no hydrogen 3.359 N/A ILE 177.A N TYR 122.A O no hydrogen 2.890 N/A VAL 178.A N PHE 185.A O no hydrogen 2.696 N/A VAL 179.A N SER 120.A O no hydrogen 2.964 N/A TYR 180.A N GLU 183.A O no hydrogen 3.310 N/A TYR 180.A OH ASP 117.A OD2 no hydrogen 2.408 N/A PHE 185.A N VAL 178.A O no hydrogen 2.587 N/A ASN 186.A ND2 PRO 172.A O no hydrogen 3.067 N/A GLN 187.A N LYS 176.A O no hydrogen 3.307 N/A GLY 193.A N GLN 204.A OE1 no hydrogen 2.796 N/A SER 194.A N PRO 191.A O no hydrogen 3.315 N/A SER 194.A OG PRO 191.A O no hydrogen 3.252 N/A GLY 195.A N GLN 204.A OE1 no hydrogen 3.278 N/A GLN 196.A NE2 SER 194.A O no hydrogen 3.603 N/A ARG 199.A NH1 GLY 198.A O no hydrogen 3.104 N/A GLN 204.A N TYR 214.A O no hydrogen 2.759 N/A GLN 204.A NE2 PRO 190.A O no hydrogen 3.143 N/A GLN 204.A NE2 PRO 191.A O no hydrogen 2.722 N/A SER 205.A N ILE 47.A O no hydrogen 2.969 N/A SER 205.A OG THR 207.A O no hydrogen 2.615 N/A ARG 206.A NH1 GLU 45.A O no hydrogen 3.061 N/A ARG 206.A NH1 GLU 45.A OE1 no hydrogen 3.297 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.400 N/A SER 210.A N THR 207.A OG1 no hydrogen 2.621 N/A SER 210.A OG ASP 212.A O no hydrogen 3.569 N/A TYR 214.A N GLN 204.A O no hydrogen 2.860 N/A TYR 214.A OH GLY 195.A O no hydrogen 3.289 N/A ASN 216.A N ASP 202.A O no hydrogen 2.960 N/A THR 217.A N ASP 75.A OD2 no hydrogen 2.851 N/A THR 217.A OG1 ASP 75.A OD2 no hydrogen 2.902 N/A LYS 220.A N THR 234.A O no hydrogen 3.269 N/A ALA 222.A N PRO 232.A O no hydrogen 3.007 N/A ARG 223.A NH1 THR 82.A O no hydrogen 3.126 N/A ARG 223.A NH2 THR 82.A O no hydrogen 3.087 N/A HIS 230.A N TYR 85.A OH no hydrogen 3.277 N/A THR 234.A N LYS 220.A O no hydrogen 2.719 N/A THR 234.A OG1 LYS 220.A O no hydrogen 3.227 N/A GLN 235.A NE2 THR 217.A OG1 no hydrogen 2.898 N/A THR 236.A N THR 217.A O no hydrogen 2.819 N/A THR 236.A OG1 THR 217.A O no hydrogen 3.024 N/A SER 238.A OG ASP 202.A OD2 no hydrogen 3.555 N/A GLY 239.A N ASP 202.A OD2 no hydrogen 2.479 N/A PHE 240.A N SER 238.A OG no hydrogen 2.996 N/A TYR 242.A N SER 238.A O no hydrogen 3.253 N/A TRP 243.A N GLY 239.A O no hydrogen 2.668 N/A LEU 244.A N PHE 240.A O no hydrogen 3.178 N/A LYS 245.A N TYR 242.A O no hydrogen 3.140 N/A LYS 247.A N TRP 243.A O no hydrogen 2.648 N/A LYS 247.A NZ LEU 244.A O no hydrogen 2.876 N/A ALA 250.A N GLY 248.A O no hydrogen 2.699 N/A LEU 251.A N VAL 184.A O no hydrogen 3.083 N/A THR 253.A N ALA 250.A O no hydrogen 3.192 N/A THR 253.A OG1 ALA 250.A O no hydrogen 3.094 N/A CYS 259.A N PRO 256.A O no hydrogen 3.281 N/A CYS 259.A SG PRO 256.A O no hydrogen 3.128 N/A GLN 260.A N MET 269.A O no hydrogen 3.031 N/A LYS 262.A N ARG 267.A O no hydrogen 3.359 N/A ARG 267.A NH1 PRO 265.A O no hydrogen 3.323 N/A ALA 268.A N LEU 38.A O no hydrogen 2.870 N/A MET 269.A N GLN 260.A O no hydrogen 2.786 N/A ASN 270.A N THR 36.A O no hydrogen 3.186 N/A CYS 271.A SG ALA 268.A O no hydrogen 3.570 N/A CYS 271.A SG MET 269.A O no hydrogen 3.996 N/A ALA 272.A N PHE 257.A O no hydrogen 2.803 N/A ASN 275.A N SER 167.A OG no hydrogen 2.526 N/A ILE 276.A N MET 7.A O no hydrogen 2.544 N/A VAL 278.A N THR 5.A O no hydrogen 2.652 N/A SER 279.A N ILE 162.A O no hydrogen 3.032 N/A SER 279.A OG SER 4.A OG no hydrogen 2.914 N/A SER 279.A OG VAL 278.A O no hydrogen 2.901 N/A MET 280.A N HIS 3.A O no hydrogen 2.907 N/A ASN 281.A N GLN 160.A O no hydrogen 3.300 N/A ASN 281.A ND2 GLU 2.A OE2 no hydrogen 2.830 N/A LEU 282.A N TYR 1.A O no hydrogen 2.785 N/A ALA 286.A N PRO 283.A O no hydrogen 3.057 N/A PHE 287.A N ASP 284.A O no hydrogen 3.168 N/A ARG 289.A NH2 ASP 284.A OD2 no hydrogen 3.135 N/A ILE 290.A N GLY 23.A O no hydrogen 3.423 N/A ALA 293.A N ARG 289.A O no hydrogen 2.659 N/A THR 295.A N ASN 323.A OD1 no hydrogen 2.942 N/A ILE 297.A N LYS 321.A O no hydrogen 2.658 N/A THR 300.A N THR 319.A O no hydrogen 2.967 N/A THR 300.A OG1 THR 319.A O no hydrogen 3.510 N/A THR 300.A OG1 THR 319.A OG1 no hydrogen 2.470 N/A THR 302.A N THR 317.A O no hydrogen 2.907 N/A ALA 304.A N VAL 315.A O no hydrogen 2.697 N/A THR 305.A N VAL 315.A O no hydrogen 3.400 N/A CYS 306.A SG THR 307.A O no hydrogen 3.653 N/A HIS 308.A N GLU 381.A O no hydrogen 3.330 N/A HIS 308.A ND1 SER 309.A OG no hydrogen 2.705 N/A SER 309.A OG HIS 308.A ND1 no hydrogen 2.705 N/A GLY 314.A N PHE 356.A O no hydrogen 2.810 N/A VAL 315.A N THR 305.A O no hydrogen 2.765 N/A LEU 316.A N LEU 354.A O no hydrogen 2.985 N/A THR 317.A N THR 302.A O no hydrogen 2.716 N/A LEU 318.A N VAL 352.A O no hydrogen 2.970 N/A THR 319.A N THR 300.A O no hydrogen 3.050 N/A THR 319.A OG1 THR 300.A OG1 no hydrogen 2.470 N/A TYR 320.A OH LYS 347.A O no hydrogen 3.042 N/A LYS 321.A N ILE 297.A O no hydrogen 2.742 N/A LYS 321.A NZ ASP 298.A OD2 no hydrogen 3.306 N/A THR 322.A OG1 THR 295.A O no hydrogen 3.056 N/A THR 322.A OG1 LYS 324.A O no hydrogen 3.262 N/A LYS 324.A NZ GLU 292.A O no hydrogen 3.125 N/A GLY 326.A N VAL 346.A O no hydrogen 3.265 N/A CYS 328.A N ALA 344.A O no hydrogen 3.279 N/A SER 332.A OG SER 334.A O no hydrogen 3.114 N/A SER 332.A OG ALA 337.A O no hydrogen 3.071 N/A HIS 333.A N VAL 366.A O no hydrogen 2.772 N/A SER 334.A N SER 332.A OG no hydrogen 3.323 N/A ALA 337.A N SER 334.A O no hydrogen 3.063 N/A THR 338.A N SER 357.A O no hydrogen 2.885 N/A GLN 340.A N HIS 355.A O no hydrogen 2.814 N/A ALA 344.A N CYS 328.A O no hydrogen 3.308 N/A LYS 345.A NZ ASP 327.A OD1 no hydrogen 3.478 N/A LYS 345.A NZ ASP 327.A OD2 no hydrogen 3.044 N/A LYS 351.A NZ THR 353.A OG1 no hydrogen 2.763 N/A VAL 352.A N LEU 318.A O no hydrogen 3.135 N/A LEU 354.A N LEU 316.A O no hydrogen 2.736 N/A HIS 355.A N GLU 341.A OE1 no hydrogen 3.066 N/A PHE 356.A N GLY 314.A O no hydrogen 3.310 N/A SER 357.A N THR 338.A O no hydrogen 2.577 N/A SER 357.A OG SER 310.A O no hydrogen 3.138 N/A SER 357.A OG ASP 311.A O no hydrogen 2.669 N/A THR 358.A OG1 VAL 336.A O no hydrogen 2.722 N/A PHE 365.A N CYS 376.A O no hydrogen 3.188 N/A SER 368.A N HIS 331.A O no hydrogen 3.086 N/A SER 368.A OG HIS 331.A O no hydrogen 2.858 N/A LEU 369.A N ALA 372.A O no hydrogen 2.783 N/A CYS 370.A SG TYR 24.A OH no hydrogen 3.006 N/A ARG 373.A NH2 GLU 20.A OE2 no hydrogen 3.526 N/A ALA 374.A N VAL 367.A O no hydrogen 2.903 N/A CYS 376.A N PHE 365.A O no hydrogen 3.022 N/A CYS 380.A N ALA 361.A O no hydrogen 2.936 N/A CYS 380.A SG ALA 361.A O no hydrogen 4.014 N/A