Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w9e_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ASP 369.A OD2 no hydrogen 2.568 N/A ARG 18.A NH1 ASP 139.A O no hydrogen 3.400 N/A ARG 18.A NH2 ASP 16.A OD1 no hydrogen 2.865 N/A TYR 22.A N GLU 61.A O no hydrogen 2.908 N/A PHE 23.A N VAL 142.A O no hydrogen 3.321 N/A TYR 24.A N TYR 63.A O no hydrogen 3.095 N/A ASP 27.A N ASP 25.A OD1 no hydrogen 3.172 N/A ASN 30.A N ASP 27.A O no hydrogen 3.030 N/A ASN 30.A ND2 ASP 27.A O no hydrogen 2.188 N/A TYR 33.A OH PHE 159.A O no hydrogen 3.069 N/A GLY 34.A N ALA 32.A O no hydrogen 2.542 N/A HIS 37.A N ALA 35.A O no hydrogen 2.988 N/A LYS 40.A NZ HIS 37.A O no hydrogen 3.012 N/A HIS 42.A N LYS 40.A O no hydrogen 3.068 N/A ARG 45.A N HIS 42.A O no hydrogen 2.895 N/A ARG 45.A NH1 TYR 342.A OH no hydrogen 3.141 N/A ARG 45.A NH2 GLY 29.A O no hydrogen 2.220 N/A MET 46.A N HIS 42.A O no hydrogen 3.290 N/A SER 49.A N ARG 45.A O no hydrogen 2.832 N/A SER 49.A OG ASN 53.A OD1 no hydrogen 3.498 N/A LEU 50.A N MET 46.A O no hydrogen 3.096 N/A ILE 51.A N ALA 47.A O no hydrogen 3.164 N/A MET 52.A N HIS 48.A O no hydrogen 2.925 N/A MET 52.A N SER 49.A O no hydrogen 2.925 N/A ASN 53.A N SER 49.A O no hydrogen 2.955 N/A ASN 53.A N LEU 50.A O no hydrogen 2.913 N/A TYR 54.A N LEU 50.A O no hydrogen 2.738 N/A TYR 54.A OH ASP 336.A O no hydrogen 3.227 N/A LEU 56.A N ILE 51.A O no hydrogen 3.131 N/A LYS 59.A N LEU 56.A O no hydrogen 2.886 N/A TYR 63.A N TYR 22.A O no hydrogen 2.871 N/A LYS 66.A N GLU 128.A OE2 no hydrogen 3.175 N/A ALA 68.A N SER 120.A O no hydrogen 3.304 N/A THR 69.A N GLU 72.A OE2 no hydrogen 2.420 N/A THR 69.A OG1 GLU 72.A OE2 no hydrogen 2.719 N/A LYS 70.A NZ ASP 83.A OD1 no hydrogen 3.423 N/A LYS 70.A NZ SER 86.A OG no hydrogen 2.944 N/A MET 73.A N THR 69.A O no hydrogen 2.870 N/A CYS 74.A N LYS 70.A O no hydrogen 2.911 N/A CYS 74.A SG HIS 77.A O no hydrogen 3.204 N/A CYS 74.A SG ASP 79.A OD1 no hydrogen 3.057 N/A GLN 75.A N GLU 72.A O no hydrogen 3.456 N/A PHE 76.A N MET 73.A O no hydrogen 3.487 N/A HIS 77.A ND1 LYS 153.A O no hydrogen 3.041 N/A TYR 81.A OH TYR 161.A O no hydrogen 3.151 N/A ILE 82.A N THR 78.A O no hydrogen 3.206 N/A ASP 83.A N ASP 79.A O no hydrogen 2.934 N/A PHE 84.A N GLU 80.A O no hydrogen 2.907 N/A LEU 85.A N TYR 81.A O no hydrogen 2.972 N/A SER 86.A N ILE 82.A O no hydrogen 2.944 N/A ARG 87.A N PHE 84.A O no hydrogen 3.286 N/A ARG 87.A NH1 ASP 83.A OD2 no hydrogen 2.324 N/A VAL 88.A N PHE 84.A O no hydrogen 3.162 N/A THR 89.A N ASN 92.A OD1 no hydrogen 3.354 N/A THR 89.A OG1 ASP 91.A OD2 no hydrogen 2.932 N/A MET 95.A N ASN 92.A O no hydrogen 3.251 N/A PHE 96.A N LEU 93.A O no hydrogen 2.822 N/A SER 100.A N PHE 96.A O no hydrogen 2.782 N/A SER 100.A OG PHE 96.A O no hydrogen 2.694 N/A VAL 101.A N ARG 98.A O no hydrogen 3.346 N/A LYS 102.A N ARG 98.A O no hydrogen 3.087 N/A PHE 103.A N GLU 99.A O no hydrogen 2.770 N/A ASN 104.A ND2 ALA 156.A O no hydrogen 3.555 N/A CYS 109.A SG ASN 104.A O no hydrogen 3.787 N/A CYS 109.A SG ALA 156.A O no hydrogen 3.053 N/A TYR 118.A N GLY 114.A O no hydrogen 2.570 N/A CYS 119.A N LEU 115.A O no hydrogen 2.965 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.022 N/A SER 120.A N TYR 116.A O no hydrogen 2.877 N/A SER 120.A OG TYR 116.A O no hydrogen 2.875 N/A SER 120.A OG GLU 117.A O no hydrogen 2.475 N/A ILE 121.A N GLU 117.A O no hydrogen 2.930 N/A SER 122.A N TYR 118.A O no hydrogen 3.090 N/A SER 122.A OG CYS 119.A O no hydrogen 2.805 N/A GLY 123.A N CYS 119.A O no hydrogen 2.951 N/A GLY 124.A N SER 120.A O no hydrogen 2.888 N/A GLY 125.A N ILE 121.A O no hydrogen 2.958 N/A SER 126.A N SER 122.A O no hydrogen 3.030 N/A SER 126.A OG ASP 164.A O no hydrogen 3.299 N/A MET 127.A N GLY 123.A O no hydrogen 2.968 N/A GLU 128.A N GLY 124.A O no hydrogen 2.913 N/A GLY 129.A N GLY 125.A O no hydrogen 2.950 N/A ALA 130.A N SER 126.A O no hydrogen 3.040 N/A ALA 131.A N MET 127.A O no hydrogen 2.899 N/A ARG 132.A N GLU 128.A O no hydrogen 2.886 N/A LEU 133.A N GLY 129.A O no hydrogen 2.984 N/A ASN 134.A N ALA 130.A O no hydrogen 2.768 N/A ASN 134.A ND2 LEU 172.A O no hydrogen 3.409 N/A ARG 135.A N ALA 131.A O no hydrogen 2.600 N/A GLY 136.A N ARG 132.A O no hydrogen 2.512 N/A LYS 137.A N ARG 132.A O no hydrogen 3.074 N/A VAL 142.A N ALA 21.A O no hydrogen 3.164 N/A ASN 143.A N VAL 306.A O no hydrogen 3.069 N/A TYR 144.A OH THR 325.A OG1 no hydrogen 3.246 N/A ALA 145.A N ASN 143.A OD1 no hydrogen 3.103 N/A GLY 146.A N ASN 143.A OD1 no hydrogen 2.568 N/A GLY 147.A N ASP 164.A OD1 no hydrogen 3.111 N/A GLY 147.A N ASP 164.A OD2 no hydrogen 3.276 N/A LEU 148.A N ASP 164.A OD1 no hydrogen 3.510 N/A LYS 152.A N GLU 155.A O no hydrogen 3.018 N/A LYS 152.A NZ HIS 150.A O no hydrogen 3.553 N/A LYS 152.A NZ SER 157.A OG no hydrogen 3.427 N/A LYS 152.A NZ ASP 190.A OD2 no hydrogen 2.920 N/A SER 154.A OG SER 154.A O no hydrogen 2.311 N/A ALA 156.A N PHE 103.A O no hydrogen 3.387 N/A SER 157.A OG HIS 150.A O no hydrogen 3.467 N/A CYS 160.A SG SER 157.A O no hydrogen 3.636 N/A CYS 160.A SG GLY 158.A O no hydrogen 3.055 N/A VAL 166.A N ASN 163.A O no hydrogen 2.953 N/A GLY 168.A N ASP 164.A O no hydrogen 2.896 N/A ILE 169.A N ILE 165.A O no hydrogen 2.913 N/A ILE 170.A N VAL 166.A O no hydrogen 2.933 N/A GLU 171.A N LEU 167.A O no hydrogen 2.979 N/A LEU 172.A N GLY 168.A O no hydrogen 2.892 N/A LEU 173.A N ILE 169.A O no hydrogen 2.841 N/A ARG 174.A N ILE 170.A O no hydrogen 3.034 N/A TYR 175.A N LEU 172.A O no hydrogen 3.227 N/A HIS 176.A N LEU 172.A O no hydrogen 3.139 N/A ARG 178.A NE TYR 261.A O no hydrogen 3.527 N/A ARG 178.A NH2 GLN 262.A O no hydrogen 3.542 N/A VAL 179.A N ARG 201.A O no hydrogen 3.250 N/A LEU 180.A N ALA 265.A O no hydrogen 3.035 N/A TYR 181.A N MET 203.A O no hydrogen 2.932 N/A ILE 182.A N VAL 267.A O no hydrogen 2.919 N/A ASP 183.A N CYS 205.A O no hydrogen 2.924 N/A ILE 184.A N GLN 269.A O no hydrogen 3.509 N/A HIS 187.A N ASP 185.A OD1 no hydrogen 2.915 N/A ASP 190.A N HIS 188.A O no hydrogen 2.831 N/A GLU 193.A N GLY 189.A O no hydrogen 3.296 N/A GLU 194.A N ASP 190.A O no hydrogen 2.904 N/A ALA 195.A N GLY 191.A O no hydrogen 2.963 N/A TYR 197.A N GLU 194.A O no hydrogen 2.846 N/A ARG 201.A N THR 199.A OG1 no hydrogen 3.336 N/A ARG 201.A NE PRO 177.A O no hydrogen 3.160 N/A ARG 201.A NH2 HIS 176.A O no hydrogen 3.318 N/A ARG 201.A NH2 PRO 177.A O no hydrogen 3.366 N/A MET 203.A N VAL 179.A O no hydrogen 3.025 N/A CYS 205.A N TYR 181.A O no hydrogen 2.929 N/A CYS 205.A SG VAL 233.A O no hydrogen 3.690 N/A SER 206.A N VAL 233.A O no hydrogen 2.921 N/A PHE 207.A N ASP 183.A O no hydrogen 2.986 N/A HIS 208.A N VAL 235.A O no hydrogen 3.023 N/A HIS 208.A NE2 GLY 218.A O no hydrogen 2.573 N/A LYS 209.A N VAL 186.A O no hydrogen 2.904 N/A LYS 209.A NZ TYR 210.A O no hydrogen 3.305 N/A TYR 210.A N LEU 237.A O no hydrogen 3.508 N/A PHE 213.A N GLY 211.A O no hydrogen 2.657 N/A GLY 216.A N PHE 213.A O no hydrogen 2.720 N/A THR 217.A OG1 PRO 215.A O no hydrogen 3.092 N/A GLY 224.A N TYR 197.A OH no hydrogen 3.067 N/A GLY 228.A N VAL 225.A O no hydrogen 2.978 N/A ASN 230.A N ILE 223.A O no hydrogen 2.922 N/A VAL 233.A N THR 204.A O no hydrogen 2.916 N/A ASN 234.A ND2 GLU 193.A OE2 no hydrogen 2.368 N/A VAL 235.A N SER 206.A O no hydrogen 2.925 N/A LEU 237.A N HIS 208.A O no hydrogen 2.859 N/A ARG 238.A N ASN 363.A OD1 no hydrogen 2.823 N/A ALA 244.A N ASP 243.A OD1 no hydrogen 2.793 N/A THR 245.A N ASP 242.A OD2 no hydrogen 2.757 N/A THR 245.A OG1 ASP 242.A OD2 no hydrogen 3.300 N/A TYR 246.A N ASP 242.A O no hydrogen 3.066 N/A ARG 247.A N ASP 243.A O no hydrogen 2.967 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 3.258 N/A SER 248.A N ALA 244.A O no hydrogen 2.954 N/A SER 248.A OG ALA 244.A O no hydrogen 2.927 N/A VAL 249.A N THR 245.A O no hydrogen 2.947 N/A PHE 250.A N TYR 246.A O no hydrogen 2.889 N/A GLU 251.A N ARG 247.A O no hydrogen 3.042 N/A ILE 254.A N PHE 250.A O no hydrogen 3.220 N/A LYS 255.A N GLU 251.A O no hydrogen 3.009 N/A LYS 256.A N PRO 252.A O no hydrogen 2.885 N/A ILE 257.A N VAL 253.A O no hydrogen 2.970 N/A MET 258.A N ILE 254.A O no hydrogen 2.990 N/A GLU 259.A N LYS 255.A O no hydrogen 2.869 N/A TRP 260.A N LYS 256.A O no hydrogen 2.987 N/A TRP 260.A N ILE 257.A O no hydrogen 2.736 N/A TYR 261.A N ILE 257.A O no hydrogen 2.564 N/A TYR 261.A OH ASP 200.A O no hydrogen 3.169 N/A SER 264.A N ARG 178.A O no hydrogen 2.680 N/A VAL 266.A N PRO 303.A O no hydrogen 2.984 N/A VAL 267.A N LEU 180.A O no hydrogen 2.916 N/A LEU 268.A N MET 305.A O no hydrogen 2.899 N/A GLN 269.A N ILE 182.A O no hydrogen 2.964 N/A CYS 270.A N VAL 307.A O no hydrogen 2.921 N/A SER 276.A N LEU 285.A O no hydrogen 3.155 N/A SER 276.A OG ARG 355.A O no hydrogen 3.006 N/A CYS 282.A SG ASP 239.A OD2 no hydrogen 3.165 N/A ASN 284.A N ILE 241.A O no hydrogen 3.168 N/A ASN 284.A ND2 SER 357.A O no hydrogen 3.432 N/A SER 286.A OG ASP 243.A OD2 no hydrogen 3.430 N/A GLY 289.A N SER 286.A OG no hydrogen 3.131 N/A HIS 290.A N MET 287.A O no hydrogen 3.244 N/A ALA 291.A N MET 287.A O no hydrogen 2.917 N/A ASN 292.A N GLU 288.A O no hydrogen 2.951 N/A ASN 295.A N ALA 291.A O no hydrogen 2.987 N/A ASN 295.A ND2 THR 11.A O no hydrogen 3.433 N/A TYR 296.A N ASN 292.A O no hydrogen 2.915 N/A VAL 297.A N CYS 293.A O no hydrogen 2.948 N/A LYS 298.A N VAL 294.A O no hydrogen 2.926 N/A LYS 298.A NZ LEU 327.A O no hydrogen 3.129 N/A LYS 298.A NZ ASN 330.A OD1 no hydrogen 3.117 N/A SER 299.A N ASN 295.A O no hydrogen 2.973 N/A SER 299.A N TYR 296.A O no hydrogen 3.108 N/A SER 299.A OG TYR 296.A O no hydrogen 2.413 N/A GLY 301.A N LYS 298.A O no hydrogen 2.898 N/A MET 305.A N VAL 266.A O no hydrogen 2.870 N/A VAL 306.A N ALA 141.A O no hydrogen 3.046 N/A VAL 307.A N LEU 268.A O no hydrogen 2.980 N/A ARG 315.A NH1 TYR 345.A O no hydrogen 3.004 N/A ARG 315.A NH1 GLY 347.A O no hydrogen 3.084 N/A VAL 317.A N THR 313.A O no hydrogen 3.317 N/A ALA 318.A N MET 314.A O no hydrogen 2.917 N/A ARG 319.A N ARG 315.A O no hydrogen 3.055 N/A ARG 319.A NE ARG 315.A O no hydrogen 3.211 N/A ARG 319.A NH1 LYS 351.A O no hydrogen 3.151 N/A THR 320.A N ASN 316.A O no hydrogen 2.880 N/A THR 320.A OG1 ASN 316.A O no hydrogen 2.799 N/A TRP 321.A N VAL 317.A O no hydrogen 2.946 N/A TRP 321.A NE1 CYS 270.A O no hydrogen 3.312 N/A CYS 322.A N ALA 318.A O no hydrogen 3.027 N/A PHE 323.A N ARG 319.A O no hydrogen 2.946 N/A GLU 324.A N THR 320.A O no hydrogen 2.857 N/A THR 325.A N TRP 321.A O no hydrogen 2.962 N/A THR 325.A OG1 TYR 144.A OH no hydrogen 3.246 N/A THR 325.A OG1 TRP 321.A O no hydrogen 2.857 N/A GLY 326.A N CYS 322.A O no hydrogen 3.011 N/A LEU 327.A N PHE 323.A O no hydrogen 2.894 N/A LEU 328.A N GLU 324.A O no hydrogen 2.911 N/A ASN 329.A N THR 325.A O no hydrogen 3.017 N/A ASN 329.A N GLY 326.A O no hydrogen 3.102 N/A ASN 329.A ND2 THR 325.A O no hydrogen 3.601 N/A ASN 330.A N LEU 327.A O no hydrogen 3.220 N/A ASN 330.A ND2 ASP 16.A O no hydrogen 2.976 N/A VAL 331.A N GLY 326.A O no hydrogen 3.278 N/A LEU 352.A N LYS 335.A O no hydrogen 3.280 N/A SER 357.A N ASN 284.A OD1 no hydrogen 2.922 N/A SER 357.A OG ASN 284.A OD1 no hydrogen 2.533 N/A ASN 363.A N ASN 361.A OD1 no hydrogen 2.956 N/A ASN 363.A ND2 ARG 238.A O no hydrogen 3.353 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.408 N/A TYR 367.A OH PRO 236.A O no hydrogen 2.762 N/A LEU 368.A N THR 364.A O no hydrogen 3.331 N/A ASP 369.A N PRO 365.A O no hydrogen 2.895 N/A LYS 370.A N GLU 366.A O no hydrogen 2.991 N/A VAL 371.A N TYR 367.A O no hydrogen 2.981 N/A MET 372.A N LEU 368.A O no hydrogen 2.923 N/A THR 373.A N ASP 369.A O no hydrogen 2.899 N/A THR 373.A OG1 ASP 369.A O no hydrogen 2.464 N/A ASN 374.A N LYS 370.A O no hydrogen 2.984 N/A ILE 375.A N VAL 371.A O no hydrogen 2.984 N/A PHE 376.A N MET 372.A O no hydrogen 2.940 N/A ALA 377.A N THR 373.A O no hydrogen 2.929 N/A ASN 378.A N ASN 374.A O no hydrogen 2.947 N/A LEU 379.A N ILE 375.A O no hydrogen 2.911 N/A ASN 381.A N ASN 378.A O no hydrogen 3.250 N/A THR 382.A N LEU 379.A O no hydrogen 3.123 N/A THR 382.A OG1 LEU 379.A O no hydrogen 3.217 N/A