Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N ALA 4.A O no hydrogen 2.926 N/A ARG 7.A NH1 ASP 72.A O no hydrogen 3.252 N/A ARG 7.A NH2 ASP 72.A O no hydrogen 3.510 N/A SER 9.A N LEU 5.A O no hydrogen 3.066 N/A ASP 10.A N LEU 6.A O no hydrogen 3.266 N/A HIS 11.A N ARG 7.A O no hydrogen 2.740 N/A LEU 12.A N LEU 8.A O no hydrogen 2.925 N/A LEU 13.A N SER 9.A O no hydrogen 3.233 N/A TYR 16.A OH ASP 63.A OD2 no hydrogen 2.677 N/A LYS 18.A NZ ASP 84.A O no hydrogen 2.524 N/A ARG 21.A NH1 LYS 28.A O no hydrogen 2.899 N/A ARG 21.A NH1 THR 30.A OG1 no hydrogen 2.928 N/A ARG 21.A NH2 LYS 28.A O no hydrogen 3.052 N/A VAL 23.A N ARG 21.A O no hydrogen 2.724 N/A ARG 24.A N GLU 64.A OE1 no hydrogen 2.768 N/A ARG 27.A N ASP 25.A OD1 no hydrogen 3.414 N/A LYS 28.A N ASP 25.A O no hydrogen 2.956 N/A LYS 28.A NZ GLU 64.A OE1 no hydrogen 3.182 N/A LYS 28.A NZ GLU 64.A OE2 no hydrogen 3.079 N/A THR 30.A N ASP 155.A O no hydrogen 2.791 N/A VAL 32.A N ASN 157.A O no hydrogen 2.560 N/A SER 33.A N TYR 60.A O no hydrogen 2.864 N/A SER 33.A OG THR 159.A OG1 no hydrogen 2.702 N/A ILE 34.A N THR 159.A O no hydrogen 2.984 N/A ASP 35.A N ARG 58.A O no hydrogen 2.917 N/A ILE 37.A N TRP 56.A O no hydrogen 2.933 N/A TYR 39.A N TYR 54.A O no hydrogen 2.922 N/A ALA 40.A N TYR 54.A O no hydrogen 3.366 N/A LEU 42.A N THR 52.A O no hydrogen 2.878 N/A ASN 43.A N THR 52.A O no hydrogen 2.960 N/A ASP 45.A N VAL 50.A O no hydrogen 2.909 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.649 N/A ASN 48.A N ASP 45.A OD1 no hydrogen 3.109 N/A GLN 49.A NE2 LEU 130.A O no hydrogen 2.995 N/A VAL 50.A N ASP 45.A O no hydrogen 2.956 N/A LEU 51.A N THR 126.A O no hydrogen 2.863 N/A THR 52.A N ASN 43.A O no hydrogen 2.858 N/A THR 53.A N LEU 124.A O no hydrogen 2.927 N/A TYR 54.A N ALA 40.A O no hydrogen 2.882 N/A ILE 55.A N LEU 122.A O no hydrogen 2.900 N/A TRP 56.A N ILE 37.A O no hydrogen 2.869 N/A TYR 57.A N LYS 120.A O no hydrogen 2.915 N/A ARG 58.A N ASP 35.A O no hydrogen 2.908 N/A GLN 59.A N ASN 118.A O no hydrogen 2.879 N/A GLN 59.A NE2 TYR 57.A OH no hydrogen 2.979 N/A TYR 60.A N SER 33.A O no hydrogen 2.896 N/A TYR 60.A OH TYR 119.A OH no hydrogen 2.812 N/A TRP 61.A N VAL 116.A O no hydrogen 3.031 N/A ASP 63.A N GLY 114.A O no hydrogen 2.561 N/A GLU 64.A N PRO 22.A O no hydrogen 3.462 N/A PHE 65.A N ASP 63.A OD1 no hydrogen 3.232 N/A LEU 66.A N ASP 63.A O no hydrogen 3.188 N/A LEU 66.A N ASP 63.A OD1 no hydrogen 3.123 N/A GLN 67.A NE2 ARG 113.A O no hydrogen 2.906 N/A TRP 68.A N HIS 112.A O no hydrogen 2.996 N/A GLU 71.A N GLU 71.A OE2 no hydrogen 2.712 N/A LEU 79.A N VAL 110.A O no hydrogen 2.889 N/A ILE 81.A N VAL 108.A O no hydrogen 2.934 N/A THR 83.A N PRO 106.A O no hydrogen 2.658 N/A THR 83.A OG1 ILE 105.A O no hydrogen 3.451 N/A THR 83.A OG1 PRO 106.A O no hydrogen 3.339 N/A SER 85.A N PRO 82.A O no hydrogen 3.089 N/A SER 85.A OG PRO 82.A O no hydrogen 2.385 N/A ILE 86.A N THR 83.A O no hydrogen 3.306 N/A TRP 87.A N TYR 16.A OH no hydrogen 3.130 N/A LEU 92.A N THR 147.A O no hydrogen 2.899 N/A ASN 94.A N THR 145.A O no hydrogen 3.237 N/A GLU 95.A N GLU 95.A OE2 no hydrogen 2.500 N/A PHE 96.A N ILE 93.A O no hydrogen 3.408 N/A VAL 97.A N VAL 125.A O no hydrogen 3.214 N/A VAL 99.A N ASP 98.A OD1 no hydrogen 2.550 N/A SER 102.A OG GLY 100.A O no hydrogen 3.541 N/A VAL 108.A N ILE 81.A O no hydrogen 2.907 N/A TYR 109.A N GLN 117.A O no hydrogen 3.139 N/A VAL 110.A N LEU 79.A O no hydrogen 2.898 N/A HIS 111.A N GLU 115.A O no hydrogen 2.922 N/A HIS 111.A ND1 GLU 115.A O no hydrogen 2.917 N/A GLY 114.A N HIS 111.A O no hydrogen 2.829 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 3.039 N/A VAL 116.A N TRP 61.A O no hydrogen 2.813 N/A GLN 117.A N TYR 109.A O no hydrogen 2.821 N/A ASN 118.A N GLN 59.A O no hydrogen 2.887 N/A ASN 118.A ND2 GLN 59.A OE1 no hydrogen 3.337 N/A TYR 119.A OH TYR 60.A OH no hydrogen 2.812 N/A LYS 120.A N TYR 57.A O no hydrogen 2.944 N/A LEU 122.A N ILE 55.A O no hydrogen 2.868 N/A GLN 123.A N SER 102.A OG no hydrogen 2.461 N/A LEU 124.A N THR 53.A O no hydrogen 2.876 N/A THR 126.A N LEU 51.A O no hydrogen 2.908 N/A ALA 127.A N GLU 95.A O no hydrogen 2.663 N/A CYS 128.A N GLN 49.A O no hydrogen 3.217 N/A CYS 128.A SG SER 129.A O no hydrogen 3.935 N/A CYS 128.A SG ASN 141.A O no hydrogen 3.689 N/A ASP 131.A N GLN 140.A OE1 no hydrogen 3.191 N/A TYR 133.A N ASP 131.A OD2 no hydrogen 3.385 N/A GLN 140.A N ILE 209.A O no hydrogen 2.847 N/A GLN 140.A NE2 ASP 131.A O no hydrogen 2.812 N/A GLN 140.A NE2 ASP 138.A OD2 no hydrogen 3.040 N/A CYS 142.A N VAL 207.A O no hydrogen 2.941 N/A LEU 144.A N PHE 205.A O no hydrogen 2.899 N/A THR 145.A N GLU 95.A OE2 no hydrogen 3.027 N/A THR 145.A OG1 GLU 95.A OE1 no hydrogen 2.884 N/A PHE 146.A N MET 203.A O no hydrogen 2.912 N/A THR 147.A N LEU 92.A O no hydrogen 2.902 N/A THR 147.A OG1 SER 148.A O no hydrogen 3.335 N/A THR 147.A OG1 ALA 201.A O no hydrogen 2.947 N/A SER 148.A OG ASP 90.A OD1 no hydrogen 2.593 N/A SER 148.A OG ASP 90.A OD2 no hydrogen 3.164 N/A HIS 151.A N SER 148.A OG no hydrogen 3.050 N/A THR 152.A OG1 GLN 154.A OE1 no hydrogen 3.340 N/A ILE 153.A N SER 199.A O no hydrogen 2.887 N/A ASP 155.A N THR 152.A O no hydrogen 3.132 N/A ILE 156.A N THR 152.A O no hydrogen 2.954 N/A ASN 157.A N THR 30.A O no hydrogen 3.073 N/A THR 159.A N VAL 32.A O no hydrogen 2.994 N/A THR 159.A OG1 SER 33.A OG no hydrogen 2.702 N/A TRP 161.A N ILE 34.A O no hydrogen 3.253 N/A GLU 165.A N SER 163.A OG no hydrogen 3.168 N/A VAL 167.A N SER 163.A O no hydrogen 3.092 N/A ARG 168.A N PRO 164.A O no hydrogen 2.906 N/A SER 169.A N GLU 165.A O no hydrogen 2.893 N/A SER 169.A OG GLU 165.A O no hydrogen 2.942 N/A SER 169.A OG GLU 166.A O no hydrogen 3.524 N/A LYS 171.A NZ LEU 182.A O no hydrogen 3.214 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.149 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.883 N/A ILE 175.A N TYR 39.A O no hydrogen 3.155 N/A GLU 181.A N ARG 210.A O no hydrogen 2.481 N/A LEU 183.A N ILE 208.A O no hydrogen 2.824 N/A PHE 186.A N TYR 206.A O no hydrogen 2.898 N/A GLN 188.A N LYS 204.A O no hydrogen 2.907 N/A LYS 190.A N GLU 202.A O no hydrogen 2.923 N/A PHE 192.A N TYR 200.A O no hydrogen 2.922 N/A SER 197.A OG ILE 196.A O no hydrogen 2.375 N/A SER 197.A OG ASN 198.A OD1 no hydrogen 3.115 N/A SER 199.A OG GLU 191.A OE1 no hydrogen 3.442 N/A TYR 200.A N PHE 192.A O no hydrogen 2.885 N/A GLU 202.A N LYS 190.A O no hydrogen 2.880 N/A MET 203.A N PHE 146.A O no hydrogen 2.895 N/A LYS 204.A N GLN 188.A O no hydrogen 2.899 N/A LYS 204.A NZ THR 145.A OG1 no hydrogen 2.959 N/A PHE 205.A N LEU 144.A O no hydrogen 2.878 N/A TYR 206.A N PHE 186.A O no hydrogen 2.890 N/A VAL 207.A N CYS 142.A O no hydrogen 2.875 N/A ILE 208.A N GLU 184.A O no hydrogen 2.916 N/A ILE 209.A N GLN 140.A O no hydrogen 2.944 N/A ARG 210.A N GLU 181.A O no hydrogen 2.647 N/A ARG 210.A NE GLU 181.A OE1 no hydrogen 3.506 N/A ARG 210.A NH2 GLU 181.A OE1 no hydrogen 3.270 N/A ARG 210.A NH2 GLU 181.A OE2 no hydrogen 3.459 N/A ARG 211.A N ASP 138.A O no hydrogen 3.223 N/A ARG 211.A NE ASP 138.A OD1 no hydrogen 2.656 N/A ARG 211.A NE ASP 138.A OD2 no hydrogen 3.450 N/A ARG 211.A NH2 ASP 138.A OD2 no hydrogen 3.004 N/A ARG 212.A N GLU 179.A O no hydrogen 2.918 N/A ARG 212.A NH1 ASN 176.A OD1 no hydrogen 2.868 N/A ARG 212.A NH1 TRP 180.A O no hydrogen 3.416 N/A LEU 214.A N ARG 212.A O no hydrogen 2.853 N/A TYR 216.A OH GLU 179.A OE2 no hydrogen 2.696 N/A ALA 217.A N LEU 214.A O no hydrogen 3.062 N/A SER 219.A OG PHE 215.A O no hydrogen 2.949 N/A LEU 220.A N ALA 217.A O no hydrogen 2.964 N/A LEU 221.A N ALA 217.A O no hydrogen 2.911 N/A SER 224.A OG LEU 220.A O no hydrogen 3.205 N/A ILE 225.A N LEU 221.A O no hydrogen 3.076 N/A PHE 226.A N LEU 222.A O no hydrogen 2.937 N/A LEU 227.A N PRO 223.A O no hydrogen 2.895 N/A MET 228.A N SER 224.A O no hydrogen 2.922 N/A VAL 229.A N ILE 225.A O no hydrogen 2.943 N/A VAL 230.A N PHE 226.A O no hydrogen 2.932 N/A ASP 231.A N LEU 227.A O no hydrogen 2.934 N/A ILE 232.A N MET 228.A O no hydrogen 2.927 N/A VAL 233.A N VAL 229.A O no hydrogen 2.925 N/A GLY 234.A N VAL 230.A O no hydrogen 2.903 N/A PHE 235.A N ASP 231.A O no hydrogen 2.955 N/A PHE 235.A N ILE 232.A O no hydrogen 3.264 N/A CYS 236.A N VAL 233.A O no hydrogen 3.154 N/A CYS 236.A SG ILE 232.A O no hydrogen 3.596 N/A LEU 237.A N GLY 234.A O no hydrogen 3.314 N/A SER 241.A N PRO 238.A O no hydrogen 3.155 N/A SER 241.A OG PRO 238.A O no hydrogen 3.558 N/A ARG 244.A NE LEU 237.A O no hydrogen 2.946 N/A ARG 244.A NH1 GLU 289.A OE1 no hydrogen 3.425 N/A ARG 244.A NH2 PHE 235.A O no hydrogen 3.291 N/A VAL 245.A N GLY 242.A O no hydrogen 3.405 N/A PHE 247.A N GLU 243.A O no hydrogen 2.893 N/A LYS 248.A N ARG 244.A O no hydrogen 2.959 N/A ILE 249.A N VAL 245.A O no hydrogen 2.934 N/A THR 250.A N SER 246.A O no hydrogen 2.910 N/A THR 250.A OG1 SER 246.A O no hydrogen 2.575 N/A LEU 251.A N PHE 247.A O no hydrogen 2.938 N/A LEU 252.A N LYS 248.A O no hydrogen 2.932 N/A LEU 253.A N ILE 249.A O no hydrogen 2.894 N/A GLY 254.A N THR 250.A O no hydrogen 2.902 N/A TYR 255.A N LEU 251.A O no hydrogen 2.931 N/A SER 256.A N LEU 252.A O no hydrogen 2.890 N/A SER 256.A OG LEU 252.A O no hydrogen 2.637 N/A VAL 257.A N LEU 253.A O no hydrogen 2.915 N/A PHE 258.A N GLY 254.A O no hydrogen 2.943 N/A LEU 259.A N TYR 255.A O no hydrogen 2.889 N/A ILE 260.A N SER 256.A O no hydrogen 2.950 N/A ILE 261.A N VAL 257.A O no hydrogen 2.919 N/A VAL 262.A N PHE 258.A O no hydrogen 2.885 N/A ASP 264.A N ILE 261.A O no hydrogen 3.316 N/A THR 265.A OG1 VAL 262.A O no hydrogen 2.929 N/A LEU 271.A N THR 269.A OG1 no hydrogen 3.231 N/A PHE 276.A N GLY 273.A O no hydrogen 3.132 N/A VAL 277.A N GLY 273.A O no hydrogen 2.656 N/A VAL 278.A N VAL 274.A O no hydrogen 2.958 N/A MET 280.A N PHE 276.A O no hydrogen 2.978 N/A ALA 281.A N VAL 277.A O no hydrogen 2.901 N/A LEU 282.A N VAL 278.A O no hydrogen 2.891 N/A LEU 283.A N CYS 279.A O no hydrogen 2.944 N/A VAL 284.A N MET 280.A O no hydrogen 2.970 N/A ILE 285.A N ALA 281.A O no hydrogen 2.893 N/A SER 286.A N LEU 282.A O no hydrogen 2.951 N/A SER 286.A OG ASP 231.A OD1 no hydrogen 3.274 N/A SER 286.A OG ASP 231.A OD2 no hydrogen 3.036 N/A LEU 287.A N LEU 283.A O no hydrogen 2.942 N/A ALA 288.A N VAL 284.A O no hydrogen 2.903 N/A GLU 289.A N ILE 285.A O no hydrogen 2.903 N/A THR 290.A N SER 286.A O no hydrogen 2.956 N/A THR 290.A OG1 SER 286.A O no hydrogen 3.188 N/A ILE 291.A N LEU 287.A O no hydrogen 2.925 N/A PHE 292.A N ALA 288.A O no hydrogen 2.946 N/A ILE 293.A N GLU 289.A O no hydrogen 2.943 N/A VAL 294.A N THR 290.A O no hydrogen 2.923 N/A ARG 295.A N ILE 291.A O no hydrogen 2.941 N/A ARG 295.A N PHE 292.A O no hydrogen 2.965 N/A LEU 296.A N PHE 292.A O no hydrogen 2.952 N/A VAL 297.A N ILE 293.A O no hydrogen 3.055 N/A ARG 304.A NH2 GLU 343.A OE2 no hydrogen 2.353 N/A LEU 310.A N PRO 307.A O no hydrogen 2.967 N/A ARG 311.A N PRO 307.A O no hydrogen 2.937 N/A VAL 314.A N LEU 310.A O no hydrogen 2.890 N/A ASP 316.A N ARG 311.A O no hydrogen 2.919 N/A ARG 317.A N HIS 312.A O no hydrogen 3.366 N/A ALA 319.A N LEU 315.A O no hydrogen 3.308 N/A TRP 320.A N ASP 316.A O no hydrogen 2.918 N/A ILE 321.A N ARG 317.A O no hydrogen 2.909 N/A LEU 322.A N ILE 318.A O no hydrogen 2.899 N/A CYS 323.A N ALA 319.A O no hydrogen 3.385 N/A GLU 330.A N LEU 327.A O no hydrogen 3.369 N/A LEU 331.A N LEU 327.A O no hydrogen 3.405 N/A SER 332.A N LEU 328.A O no hydrogen 2.928 N/A SER 332.A OG LEU 328.A O no hydrogen 3.166 N/A SER 332.A OG GLN 329.A O no hydrogen 2.881 N/A SER 333.A OG GLN 329.A O no hydrogen 3.434 N/A SER 333.A OG GLU 330.A O no hydrogen 2.439 N/A ILE 334.A N GLU 330.A O no hydrogen 2.950 N/A ARG 335.A N LEU 331.A O no hydrogen 2.915 N/A ARG 335.A NH2 GLU 339.A OE2 no hydrogen 3.302 N/A HIS 336.A N SER 332.A O no hydrogen 2.905 N/A PHE 337.A N SER 333.A O no hydrogen 2.943 N/A LEU 338.A N ILE 334.A O no hydrogen 2.976 N/A GLU 339.A N ARG 335.A O no hydrogen 2.918 N/A LYS 340.A N HIS 336.A O no hydrogen 2.873 N/A ARG 341.A N PHE 337.A O no hydrogen 3.010 N/A ASP 342.A N LEU 338.A O no hydrogen 2.930 N/A GLU 343.A N GLU 339.A O no hydrogen 2.900 N/A ARG 345.A N ARG 341.A O no hydrogen 2.966 N/A GLU 346.A N ASP 342.A O no hydrogen 2.932 N/A VAL 347.A N GLU 343.A O no hydrogen 2.940 N/A ALA 348.A N MET 344.A O no hydrogen 2.921 N/A ARG 349.A N ARG 345.A O no hydrogen 2.934 N/A ASP 350.A N GLU 346.A O no hydrogen 2.955 N/A TRP 351.A N VAL 347.A O no hydrogen 2.939 N/A LEU 352.A N ALA 348.A O no hydrogen 2.904 N/A ARG 353.A N ARG 349.A O no hydrogen 2.933 N/A VAL 354.A N ASP 350.A O no hydrogen 2.959 N/A GLY 355.A N TRP 351.A O no hydrogen 2.915 N/A TYR 356.A N LEU 352.A O no hydrogen 2.918 N/A VAL 357.A N ARG 353.A O no hydrogen 2.944 N/A LEU 358.A N VAL 354.A O no hydrogen 2.959 N/A ASP 359.A N GLY 355.A O no hydrogen 2.902 N/A ARG 360.A N TYR 356.A O no hydrogen 2.933 N/A LEU 361.A N VAL 357.A O no hydrogen 2.960 N/A LEU 362.A N LEU 358.A O no hydrogen 2.901 N/A PHE 363.A N ASP 359.A O no hydrogen 2.915 N/A ARG 364.A N ARG 360.A O no hydrogen 2.958 N/A ILE 365.A N LEU 361.A O no hydrogen 2.962 N/A TYR 366.A N LEU 362.A O no hydrogen 2.907 N/A LEU 367.A N PHE 363.A O no hydrogen 2.941 N/A LEU 368.A N ARG 364.A O no hydrogen 2.958 N/A ALA 369.A N ILE 365.A O no hydrogen 2.916 N/A VAL 370.A N TYR 366.A O no hydrogen 2.928 N/A LEU 371.A N LEU 367.A O no hydrogen 2.972 N/A ALA 372.A N LEU 368.A O no hydrogen 2.924 N/A TYR 373.A N ALA 369.A O no hydrogen 2.927 N/A SER 374.A N VAL 370.A O no hydrogen 2.914 N/A SER 374.A OG VAL 370.A O no hydrogen 3.370 N/A ILE 375.A N LEU 371.A O no hydrogen 2.925 N/A THR 376.A N ALA 372.A O no hydrogen 2.961 N/A THR 376.A OG1 ALA 372.A O no hydrogen 3.052 N/A LEU 377.A N TYR 373.A O no hydrogen 2.934 N/A VAL 378.A N SER 374.A O no hydrogen 2.928 N/A THR 379.A N ILE 375.A O no hydrogen 2.963 N/A LEU 380.A N THR 376.A O no hydrogen 2.949 N/A TRP 381.A N LEU 377.A O no hydrogen 2.902 N/A SER 382.A N VAL 378.A O no hydrogen 2.912 N/A SER 382.A OG THR 379.A O no hydrogen 3.244 N/A ILE 383.A N THR 379.A O no hydrogen 3.419 N/A