Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 8.A N ALA 6.A O no hydrogen 2.907 N/A ILE 13.A N GLU 9.A O no hydrogen 2.869 N/A GLN 14.A N LYS 10.A O no hydrogen 3.314 N/A LYS 15.A N LEU 11.A O no hydrogen 2.885 N/A LEU 16.A N PHE 12.A O no hydrogen 3.148 N/A ARG 17.A N ILE 13.A O no hydrogen 2.971 N/A GLN 18.A N GLN 14.A O no hydrogen 3.068 N/A CYS 19.A N LYS 15.A O no hydrogen 3.221 N/A CYS 19.A N LEU 16.A O no hydrogen 3.011 N/A CYS 19.A SG LYS 15.A O no hydrogen 3.397 N/A CYS 20.A N ARG 17.A O no hydrogen 3.125 N/A CYS 20.A SG LEU 16.A O no hydrogen 3.638 N/A CYS 20.A SG HIS 67.A ND1 no hydrogen 3.975 N/A VAL 21.A N GLN 18.A O no hydrogen 3.427 N/A SER 27.A N ASP 24.A OD2 no hydrogen 3.436 N/A ASP 28.A N ASP 24.A OD1 no hydrogen 3.203 N/A SER 31.A OG ASP 28.A O no hydrogen 2.628 N/A LYS 36.A N ASP 32.A O no hydrogen 2.977 N/A LYS 36.A NZ ASP 24.A O no hydrogen 2.738 N/A LYS 36.A NZ SER 31.A O no hydrogen 2.823 N/A GLU 37.A N LEU 33.A O no hydrogen 2.975 N/A VAL 38.A N LYS 34.A O no hydrogen 3.197 N/A LYS 39.A N TRP 35.A O no hydrogen 2.860 N/A LYS 39.A NZ CYS 19.A O no hydrogen 3.531 N/A LYS 39.A NZ VAL 21.A O no hydrogen 2.749 N/A ARG 40.A N LYS 36.A O no hydrogen 2.736 N/A ALA 41.A N VAL 38.A O no hydrogen 3.102 N/A ALA 42.A N VAL 38.A O no hydrogen 2.813 N/A LEU 43.A N LYS 39.A O no hydrogen 2.933 N/A GLU 45.A N ALA 41.A O no hydrogen 2.708 N/A MET 46.A N ALA 42.A O no hydrogen 2.770 N/A VAL 47.A N LEU 43.A O no hydrogen 2.894 N/A GLU 48.A N SER 44.A O no hydrogen 3.532 N/A TYR 49.A N GLU 45.A O no hydrogen 3.076 N/A ILE 50.A N MET 46.A O no hydrogen 3.226 N/A THR 51.A N VAL 47.A O no hydrogen 2.862 N/A THR 51.A N GLU 48.A O no hydrogen 3.204 N/A HIS 52.A N TYR 49.A O no hydrogen 3.399 N/A ASN 53.A N TYR 49.A O no hydrogen 2.959 N/A THR 58.A OG1 GLU 9.A OE1 no hydrogen 2.491 N/A THR 58.A OG1 VAL 56.A O no hydrogen 3.349 N/A ILE 61.A N THR 58.A O no hydrogen 2.806 N/A TYR 62.A N GLU 59.A O no hydrogen 3.362 N/A VAL 65.A N ILE 61.A O no hydrogen 3.241 N/A VAL 66.A N TYR 62.A O no hydrogen 3.223 N/A HIS 67.A N PRO 63.A O no hydrogen 2.765 N/A MET 68.A N GLU 64.A O no hydrogen 2.830 N/A PHE 69.A N VAL 65.A O no hydrogen 2.945 N/A ALA 70.A N VAL 66.A O no hydrogen 3.086 N/A VAL 71.A N HIS 67.A O no hydrogen 2.729 N/A ASN 72.A N MET 68.A O no hydrogen 3.271 N/A MET 73.A N PHE 69.A O no hydrogen 2.716 N/A PHE 74.A N ALA 70.A O no hydrogen 3.055 N/A ARG 75.A NH1 MET 73.A O no hydrogen 3.029 N/A ARG 75.A NH1 GLU 133.A OE2 no hydrogen 3.150 N/A THR 81.A OG1 GLU 129.A OE1 no hydrogen 2.589 N/A GLU 83.A N ASP 130.A OD1 no hydrogen 2.660 N/A ALA 85.A N GLU 83.A OE1 no hydrogen 3.346 N/A TRP 86.A N GLU 83.A O no hydrogen 3.275 N/A HIS 88.A N ALA 85.A O no hydrogen 2.925 N/A LEU 89.A N ALA 85.A O no hydrogen 2.939 N/A GLN 90.A N TRP 86.A O no hydrogen 3.002 N/A VAL 92.A N HIS 88.A O no hydrogen 2.971 N/A TYR 93.A N LEU 89.A O no hydrogen 2.777 N/A TYR 93.A OH GLU 133.A OE2 no hydrogen 2.629 N/A GLU 94.A N GLN 90.A O no hydrogen 2.725 N/A PHE 95.A N LEU 91.A O no hydrogen 2.824 N/A PHE 96.A N VAL 92.A O no hydrogen 3.061 N/A LEU 97.A N TYR 93.A O no hydrogen 3.046 N/A ARG 98.A N GLU 94.A O no hydrogen 3.002 N/A PHE 99.A N PHE 95.A O no hydrogen 2.828 N/A LEU 100.A N PHE 96.A O no hydrogen 2.775 N/A GLU 101.A N LEU 97.A O no hydrogen 3.032 N/A SER 102.A N PHE 99.A O no hydrogen 3.412 N/A ASP 104.A N SER 102.A OG no hydrogen 3.200 N/A PHE 105.A N SER 102.A O no hydrogen 3.063 N/A GLN 106.A N TYR 62.A OH no hydrogen 2.781 N/A ILE 109.A N GLN 106.A O no hydrogen 2.787 N/A ALA 110.A N GLN 106.A O no hydrogen 2.913 N/A LYS 111.A N PRO 107.A O no hydrogen 3.062 N/A LYS 112.A N ILE 109.A O no hydrogen 3.488 N/A TYR 113.A N ALA 110.A O no hydrogen 3.050 N/A ILE 114.A N ALA 110.A O no hydrogen 2.818 N/A PHE 118.A N ASP 115.A OD2 no hydrogen 2.944 N/A VAL 119.A N ASP 115.A O no hydrogen 3.069 N/A LEU 120.A N GLN 116.A O no hydrogen 3.125 N/A GLN 121.A N LYS 117.A O no hydrogen 3.200 N/A LEU 122.A N PHE 118.A O no hydrogen 3.037 N/A LEU 123.A N VAL 119.A O no hydrogen 2.887 N/A GLU 124.A N LEU 120.A O no hydrogen 3.143 N/A LEU 125.A N LEU 122.A O no hydrogen 2.971 N/A PHE 126.A N LEU 123.A O no hydrogen 2.984 N/A ASP 127.A N GLU 124.A O no hydrogen 3.167 N/A SER 128.A N LEU 125.A O no hydrogen 2.865 N/A SER 128.A OG GLU 133.A OE1 no hydrogen 2.730 N/A ASP 130.A N SER 128.A OG no hydrogen 2.991 N/A ARG 132.A N ASP 130.A OD2 no hydrogen 3.225 N/A ARG 134.A N ASP 130.A O no hydrogen 3.069 N/A ARG 134.A NE GLU 178.A OE2 no hydrogen 2.822 N/A ARG 134.A NH1 SER 128.A O no hydrogen 2.945 N/A ASP 135.A N PRO 131.A O no hydrogen 2.946 N/A PHE 136.A N ARG 132.A O no hydrogen 3.177 N/A LEU 137.A N GLU 133.A O no hydrogen 2.869 N/A LYS 138.A N ARG 134.A O no hydrogen 3.080 N/A LYS 138.A NZ GLU 181.A OE1 no hydrogen 3.402 N/A LYS 138.A NZ GLU 181.A OE2 no hydrogen 2.798 N/A THR 139.A N ASP 135.A O no hydrogen 3.303 N/A THR 139.A OG1 ASP 135.A O no hydrogen 3.526 N/A THR 140.A N PHE 136.A O no hydrogen 2.891 N/A THR 140.A OG1 PHE 136.A O no hydrogen 2.602 N/A LEU 141.A N LEU 137.A O no hydrogen 2.776 N/A HIS 142.A N LYS 138.A O no hydrogen 3.000 N/A ARG 143.A N THR 139.A O no hydrogen 2.960 N/A ILE 144.A N THR 140.A O no hydrogen 2.953 N/A TYR 145.A N LEU 141.A O no hydrogen 2.750 N/A GLY 146.A N HIS 142.A O no hydrogen 2.995 N/A LYS 147.A N ARG 143.A O no hydrogen 3.045 N/A PHE 148.A N ILE 144.A O no hydrogen 2.984 N/A LEU 151.A N PHE 148.A O no hydrogen 2.932 N/A ARG 152.A N LEU 149.A O no hydrogen 3.298 N/A ARG 152.A NE TYR 145.A O no hydrogen 2.966 N/A ARG 152.A NH2 GLY 146.A O no hydrogen 2.944 N/A ILE 155.A N LEU 151.A O no hydrogen 2.884 N/A ARG 156.A N ARG 152.A O no hydrogen 2.918 N/A LYS 157.A N ALA 153.A O no hydrogen 2.859 N/A GLN 158.A N TYR 154.A O no hydrogen 2.914 N/A ILE 159.A N ILE 155.A O no hydrogen 2.929 N/A ASN 160.A N ARG 156.A O no hydrogen 3.049 N/A ASN 160.A ND2 ASN 161.A OD1 no hydrogen 3.535 N/A ASN 161.A N LYS 157.A O no hydrogen 3.092 N/A ASN 161.A ND2 GLN 158.A OE1 no hydrogen 3.533 N/A ILE 162.A N GLN 158.A O no hydrogen 3.083 N/A PHE 163.A N ILE 159.A O no hydrogen 3.116 N/A TYR 164.A N ASN 160.A O no hydrogen 2.891 N/A ARG 165.A N ASN 161.A O no hydrogen 2.978 N/A PHE 166.A N ILE 162.A O no hydrogen 3.128 N/A ILE 167.A N PHE 163.A O no hydrogen 3.297 N/A ILE 167.A N TYR 164.A O no hydrogen 3.253 N/A TYR 168.A N TYR 164.A O no hydrogen 2.997 N/A TYR 168.A OH LYS 204.A O no hydrogen 2.766 N/A HIS 172.A NE2 ASN 174.A OD1 no hydrogen 3.285 N/A ASN 174.A ND2 SER 128.A O no hydrogen 3.317 N/A GLY 175.A N HIS 173.A ND1 no hydrogen 3.060 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.525 N/A LEU 179.A N GLY 175.A O no hydrogen 3.037 N/A LEU 180.A N ILE 176.A O no hydrogen 2.802 N/A GLU 181.A N ALA 177.A O no hydrogen 3.131 N/A ILE 182.A N GLU 178.A O no hydrogen 3.222 N/A LEU 183.A N LEU 179.A O no hydrogen 2.902 N/A GLY 184.A N LEU 180.A O no hydrogen 2.848 N/A ILE 186.A N ILE 182.A O no hydrogen 3.050 N/A ILE 187.A N LEU 183.A O no hydrogen 2.776 N/A ASN 188.A N GLY 184.A O no hydrogen 3.148 N/A ASN 188.A ND2 TYR 224.A OH no hydrogen 3.472 N/A GLY 189.A N ILE 186.A O no hydrogen 3.207 N/A PHE 190.A N ILE 187.A O no hydrogen 3.154 N/A HIS 198.A N LYS 195.A O no hydrogen 3.064 N/A LYS 199.A NZ ASP 233.A OD1 no hydrogen 2.939 N/A ILE 200.A N GLU 196.A O no hydrogen 2.883 N/A PHE 201.A N GLU 197.A O no hydrogen 3.032 N/A LEU 202.A N HIS 198.A O no hydrogen 2.924 N/A LEU 203.A N LYS 199.A O no hydrogen 3.226 N/A LYS 204.A N ILE 200.A O no hydrogen 2.690 N/A VAL 205.A N PHE 201.A O no hydrogen 2.905 N/A LEU 206.A N PHE 201.A O no hydrogen 3.127 N/A LEU 207.A N LEU 202.A O no hydrogen 3.024 N/A LEU 209.A N VAL 205.A O no hydrogen 3.323 N/A LEU 209.A N LEU 206.A O no hydrogen 3.207 N/A HIS 210.A N LEU 207.A O no hydrogen 3.081 N/A HIS 210.A ND1 LEU 207.A O no hydrogen 2.678 N/A HIS 210.A NE2 GLU 262.A OE1 no hydrogen 2.594 N/A LEU 215.A N VAL 212.A O no hydrogen 3.026 N/A VAL 217.A N SER 214.A O no hydrogen 3.020 N/A TYR 218.A N LEU 215.A O no hydrogen 2.965 N/A TYR 218.A OH LEU 209.A O no hydrogen 2.679 N/A HIS 219.A NE2 GLU 262.A OE2 no hydrogen 2.896 N/A GLN 221.A N TYR 218.A O no hydrogen 2.983 N/A GLN 221.A NE2 TYR 218.A O no hydrogen 2.963 N/A LEU 222.A N TYR 218.A O no hydrogen 2.995 N/A ALA 223.A N HIS 219.A O no hydrogen 2.761 N/A TYR 224.A N PRO 220.A O no hydrogen 3.036 N/A CYS 225.A N GLN 221.A O no hydrogen 3.130 N/A CYS 225.A SG LEU 180.A O no hydrogen 3.040 N/A CYS 225.A SG GLN 221.A O no hydrogen 3.435 N/A VAL 226.A N LEU 222.A O no hydrogen 3.042 N/A VAL 227.A N ALA 223.A O no hydrogen 2.957 N/A GLN 228.A N TYR 224.A O no hydrogen 2.949 N/A GLN 228.A NE2 ASN 188.A OD1 no hydrogen 2.674 N/A GLN 228.A NE2 GLU 231.A OE1 no hydrogen 3.546 N/A PHE 229.A N CYS 225.A O no hydrogen 3.099 N/A LEU 230.A N VAL 226.A O no hydrogen 3.185 N/A GLU 231.A N VAL 227.A O no hydrogen 2.973 N/A LYS 232.A N GLN 228.A O no hydrogen 3.048 N/A LYS 232.A NZ ASN 188.A O no hydrogen 2.603 N/A LYS 232.A NZ PHE 190.A O no hydrogen 2.531 N/A ASP 233.A N PHE 229.A O no hydrogen 2.917 N/A THR 235.A N ASP 233.A OD2 no hydrogen 3.210 N/A LEU 236.A N ASP 233.A O no hydrogen 3.061 N/A THR 237.A N SER 234.A O no hydrogen 3.111 N/A THR 237.A OG1 SER 234.A O no hydrogen 3.530 N/A THR 237.A OG1 GLU 274.A OE1 no hydrogen 2.549 N/A VAL 240.A N LEU 236.A O no hydrogen 3.142 N/A VAL 241.A N THR 237.A O no hydrogen 2.787 N/A MET 242.A N GLU 238.A O no hydrogen 2.936 N/A ALA 243.A N PRO 239.A O no hydrogen 2.834 N/A LEU 244.A N VAL 240.A O no hydrogen 2.966 N/A LEU 245.A N VAL 241.A O no hydrogen 2.806 N/A LYS 246.A N MET 242.A O no hydrogen 2.763 N/A TYR 247.A N ALA 243.A O no hydrogen 2.820 N/A TRP 248.A NE1 GLU 256.A OE2 no hydrogen 3.080 N/A LYS 250.A NZ LEU 245.A O no hydrogen 2.678 N/A LYS 250.A NZ LYS 246.A O no hydrogen 3.057 N/A LYS 250.A NZ TRP 248.A O no hydrogen 2.990 N/A SER 253.A N GLU 256.A OE1 no hydrogen 3.081 N/A LYS 255.A N SER 253.A OG no hydrogen 3.426 N/A GLU 256.A N SER 253.A O no hydrogen 3.166 N/A VAL 257.A N PRO 254.A O no hydrogen 3.297 N/A MET 258.A N LYS 255.A O no hydrogen 3.025 N/A LEU 260.A N GLU 256.A O no hydrogen 2.980 N/A ASN 261.A N VAL 257.A O no hydrogen 2.997 N/A GLU 262.A N MET 258.A O no hydrogen 3.117 N/A LEU 263.A N PHE 259.A O no hydrogen 2.748 N/A GLU 264.A N LEU 260.A O no hydrogen 2.902 N/A GLU 265.A N ASN 261.A O no hydrogen 3.172 N/A ILE 266.A N GLU 262.A O no hydrogen 2.865 N/A LEU 267.A N LEU 263.A O no hydrogen 2.793 N/A ASP 268.A N GLU 264.A O no hydrogen 2.772 N/A VAL 269.A N ILE 266.A O no hydrogen 2.940 N/A ILE 270.A N LEU 267.A O no hydrogen 3.299 N/A GLU 274.A N GLU 271.A O no hydrogen 3.018 N/A PHE 275.A N GLU 271.A O no hydrogen 2.906 N/A VAL 276.A N PRO 272.A O no hydrogen 3.233 N/A LYS 277.A N GLU 274.A O no hydrogen 3.257 N/A ILE 278.A N PHE 275.A O no hydrogen 2.848 N/A LEU 282.A N ILE 278.A O no hydrogen 2.867 N/A PHE 283.A N MET 279.A O no hydrogen 2.728 N/A ARG 284.A N GLU 280.A O no hydrogen 3.120 N/A GLN 285.A N PRO 281.A O no hydrogen 3.437 N/A LEU 286.A N LEU 282.A O no hydrogen 3.165 N/A ALA 287.A N PHE 283.A O no hydrogen 2.924 N/A LYS 288.A N ARG 284.A O no hydrogen 3.352 N/A CYS 289.A N GLN 285.A O no hydrogen 3.043 N/A CYS 289.A SG GLU 256.A OE2 no hydrogen 3.814 N/A CYS 289.A SG GLN 285.A O no hydrogen 3.286 N/A CYS 289.A SG GLN 285.A OE1 no hydrogen 3.824 N/A VAL 290.A N LEU 286.A O no hydrogen 2.773 N/A SER 291.A N ALA 287.A O no hydrogen 3.274 N/A SER 291.A OG ALA 287.A O no hydrogen 3.231 N/A SER 291.A OG LYS 288.A O no hydrogen 2.937 N/A SER 292.A N CYS 289.A O no hydrogen 3.035 N/A SER 292.A OG HIS 294.A O no hydrogen 3.290 N/A HIS 294.A N SER 292.A OG no hydrogen 2.739 N/A VAL 297.A N HIS 294.A O no hydrogen 2.838 N/A ALA 298.A N HIS 294.A O no hydrogen 3.370 N/A GLU 299.A N PHE 295.A O no hydrogen 3.093 N/A ARG 300.A N GLN 296.A O no hydrogen 2.962 N/A ARG 300.A NH1 GLU 264.A OE1 no hydrogen 2.806 N/A ARG 300.A NH1 ARG 300.A O no hydrogen 2.929 N/A ARG 300.A NH2 GLU 264.A OE1 no hydrogen 2.716 N/A ALA 301.A N VAL 297.A O no hydrogen 2.828 N/A LEU 302.A N ALA 298.A O no hydrogen 2.634 N/A TYR 303.A N GLU 299.A O no hydrogen 2.881 N/A TYR 304.A N ALA 301.A O no hydrogen 3.053 N/A TYR 304.A OH LEU 260.A O no hydrogen 2.628 N/A TRP 305.A N LEU 302.A O no hydrogen 3.187 N/A ASN 306.A N TYR 303.A O no hydrogen 2.991 N/A ASN 306.A ND2 TYR 303.A O no hydrogen 3.365 N/A ASN 307.A N TYR 304.A O no hydrogen 2.766 N/A TYR 309.A OH ILE 270.A O no hydrogen 2.859 N/A MET 311.A N ASN 307.A O no hydrogen 2.832 N/A SER 312.A N GLU 308.A O no hydrogen 2.908 N/A SER 312.A N TYR 309.A O no hydrogen 3.001 N/A SER 312.A OG GLU 308.A O no hydrogen 3.536 N/A SER 312.A OG TYR 309.A O no hydrogen 2.679 N/A LEU 313.A N TYR 309.A O no hydrogen 2.995 N/A ILE 314.A N ILE 310.A O no hydrogen 2.883 N/A SER 315.A N MET 311.A O no hydrogen 3.164 N/A ASP 316.A N SER 312.A O no hydrogen 2.801 N/A ASN 317.A N LEU 313.A O no hydrogen 3.117 N/A ASN 317.A N ILE 314.A O no hydrogen 3.111 N/A LYS 320.A N ASN 317.A O no hydrogen 3.249 N/A ILE 321.A N ASN 317.A O no hydrogen 2.967 N/A LEU 322.A N ALA 318.A O no hydrogen 2.856 N/A MET 325.A N ILE 321.A O no hydrogen 3.022 N/A