Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ki1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ASP 1.A O no hydrogen 2.802 N/A LYS 7.A N ARG 3.A O no hydrogen 3.340 N/A GLN 9.A N GLU 5.A O no hydrogen 3.103 N/A ARG 10.A N GLU 6.A O no hydrogen 3.186 N/A GLU 11.A N LYS 7.A O no hydrogen 3.191 N/A ALA 12.A N ALA 8.A O no hydrogen 3.221 N/A ASN 13.A N GLN 9.A O no hydrogen 3.060 N/A LYS 14.A N ARG 10.A O no hydrogen 3.366 N/A LYS 14.A NZ GLU 11.A O no hydrogen 3.217 N/A LYS 15.A N GLU 11.A O no hydrogen 3.275 N/A ILE 16.A N ALA 12.A O no hydrogen 3.327 N/A GLU 17.A N ASN 13.A O no hydrogen 2.872 N/A LYS 18.A N LYS 14.A O no hydrogen 2.938 N/A GLN 19.A N LYS 15.A O no hydrogen 3.187 N/A GLN 19.A NE2 GLN 19.A O no hydrogen 3.124 N/A GLN 19.A NE2 ASP 23.A OD1 no hydrogen 3.365 N/A LEU 20.A N ILE 16.A O no hydrogen 2.642 N/A GLN 21.A N LYS 18.A O no hydrogen 3.077 N/A LYS 22.A N LYS 18.A O no hydrogen 3.231 N/A ASP 23.A N GLN 19.A O no hydrogen 2.970 N/A LYS 24.A N LEU 20.A O no hydrogen 3.097 N/A GLN 25.A N GLN 21.A O no hydrogen 3.398 N/A VAL 26.A N LYS 22.A O no hydrogen 3.308 N/A TYR 27.A N ASP 23.A O no hydrogen 2.821 N/A ARG 28.A N LYS 24.A O no hydrogen 2.849 N/A ALA 29.A N GLN 25.A O no hydrogen 3.256 N/A THR 30.A OG1 VAL 26.A O no hydrogen 2.872 N/A HIS 31.A N ASN 184.A O no hydrogen 2.967 N/A ARG 32.A NH1 TYR 27.A O no hydrogen 3.316 N/A ARG 32.A NH2 TYR 27.A O no hydrogen 3.029 N/A LEU 33.A N HIS 186.A O no hydrogen 2.812 N/A LEU 34.A N ALA 209.A O no hydrogen 3.289 N/A LEU 35.A N PHE 188.A O no hydrogen 2.735 N/A LEU 36.A N ILE 211.A O no hydrogen 2.894 N/A ALA 38.A N VAL 213.A O no hydrogen 3.027 N/A SER 41.A N ALA 38.A O no hydrogen 3.117 N/A SER 41.A OG ALA 38.A O no hydrogen 2.723 N/A LYS 43.A N SER 41.A OG no hydrogen 3.073 N/A LYS 43.A NZ ASN 44.A OD1 no hydrogen 2.793 N/A LYS 43.A NZ ASP 160.A OD1 no hydrogen 2.756 N/A LYS 43.A NZ ASP 160.A OD2 no hydrogen 3.168 N/A ASN 44.A ND2 PRO 158.A O no hydrogen 2.777 N/A ASN 44.A ND2 ASP 160.A OD1 no hydrogen 2.766 N/A THR 45.A N GLY 42.A O no hydrogen 3.220 N/A THR 45.A OG1 GLY 42.A O no hydrogen 2.474 N/A VAL 47.A N LYS 43.A O no hydrogen 3.091 N/A LYS 48.A N ASN 44.A O no hydrogen 2.787 N/A LYS 48.A NZ ALA 55.A O no hydrogen 3.427 N/A GLN 49.A N THR 45.A O no hydrogen 3.112 N/A MET 50.A N ILE 46.A O no hydrogen 3.012 N/A ILE 52.A N LYS 48.A O no hydrogen 3.047 N/A LEU 53.A N GLN 49.A O no hydrogen 3.086 N/A ILE 61.A N LYS 57.A O no hydrogen 3.390 N/A LYS 62.A N VAL 58.A O no hydrogen 3.359 N/A ASN 63.A N GLN 59.A O no hydrogen 2.815 N/A ASN 64.A N ASP 60.A O no hydrogen 3.169 N/A LEU 65.A N ILE 61.A O no hydrogen 3.040 N/A LYS 66.A N LYS 62.A O no hydrogen 2.771 N/A LYS 66.A NZ VAL 103.A O no hydrogen 3.503 N/A GLU 67.A N ASN 63.A O no hydrogen 2.689 N/A ALA 68.A N ASN 64.A O no hydrogen 2.830 N/A ALA 68.A N LEU 65.A O no hydrogen 3.257 N/A ILE 69.A N LEU 65.A O no hydrogen 3.322 N/A GLU 70.A N LYS 66.A O no hydrogen 3.249 N/A THR 71.A OG1 GLU 67.A O no hydrogen 3.139 N/A ILE 72.A N ALA 68.A O no hydrogen 3.210 N/A VAL 73.A N ILE 69.A O no hydrogen 2.897 N/A ALA 74.A N GLU 70.A O no hydrogen 2.839 N/A ALA 75.A N THR 71.A O no hydrogen 2.954 N/A MET 76.A N VAL 73.A O no hydrogen 3.244 N/A LEU 79.A N ALA 75.A O no hydrogen 3.248 N/A VAL 83.A N MET 76.A O no hydrogen 3.218 N/A ALA 86.A N ASP 122.A OD1 no hydrogen 3.162 N/A ASN 87.A N ASP 122.A OD2 no hydrogen 3.060 N/A ASN 90.A N ASN 87.A O no hydrogen 3.144 N/A GLN 91.A N PRO 88.A O no hydrogen 3.062 N/A VAL 94.A N ASN 90.A O no hydrogen 3.289 N/A ASP 95.A N GLN 91.A O no hydrogen 3.073 N/A TYR 96.A N PHE 92.A O no hydrogen 3.026 N/A ILE 97.A N ARG 93.A O no hydrogen 3.320 N/A LEU 98.A N VAL 94.A O no hydrogen 2.889 N/A SER 99.A N TYR 96.A O no hydrogen 3.169 N/A VAL 100.A N TYR 96.A O no hydrogen 3.081 N/A MET 101.A N ILE 97.A O no hydrogen 3.194 N/A TYR 113.A N PRO 109.A O no hydrogen 3.153 N/A GLU 114.A N PRO 110.A O no hydrogen 2.736 N/A HIS 115.A N GLU 111.A O no hydrogen 3.102 N/A ALA 116.A N PHE 112.A O no hydrogen 2.871 N/A LYS 117.A N TYR 113.A O no hydrogen 2.794 N/A ALA 118.A N GLU 114.A O no hydrogen 2.879 N/A LEU 119.A N HIS 115.A O no hydrogen 2.942 N/A TRP 120.A N LYS 117.A O no hydrogen 2.943 N/A TRP 120.A NE1 ASP 146.A OD1 no hydrogen 3.077 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.654 N/A ASP 122.A N LEU 119.A O no hydrogen 3.202 N/A VAL 125.A N ASP 122.A OD1 no hydrogen 2.780 N/A ARG 126.A N ASP 122.A O no hydrogen 3.039 N/A ALA 127.A N GLY 124.A O no hydrogen 3.095 N/A CYS 128.A SG TYR 135.A OH no hydrogen 3.391 N/A TYR 129.A N ARG 126.A O no hydrogen 2.894 N/A TYR 129.A OH GLN 142.A OE1 no hydrogen 2.577 N/A GLU 130.A N GLU 130.A OE2 no hydrogen 2.754 N/A ARG 131.A N CYS 128.A O no hydrogen 2.904 N/A SER 132.A N TYR 129.A O no hydrogen 2.817 N/A GLU 134.A N ARG 131.A O no hydrogen 3.233 N/A TYR 135.A OH CYS 128.A O no hydrogen 3.282 N/A TYR 143.A OH ASP 162.A OD1 no hydrogen 3.329 N/A LEU 145.A N ALA 141.A O no hydrogen 3.171 N/A ASP 146.A N GLN 142.A O no hydrogen 3.385 N/A LYS 147.A N PHE 144.A O no hydrogen 2.995 N/A LYS 147.A NZ GLU 40.A OE2 no hydrogen 2.963 N/A ILE 151.A N LYS 147.A O no hydrogen 3.062 N/A LYS 152.A N ILE 148.A O no hydrogen 2.654 N/A GLN 153.A N VAL 150.A O no hydrogen 3.448 N/A GLN 153.A NE2 ASP 149.A O no hydrogen 3.028 N/A TYR 156.A OH ASP 162.A OD2 no hydrogen 2.705 N/A SER 159.A N ASP 162.A OD2 no hydrogen 3.266 N/A SER 159.A OG ASP 162.A OD2 no hydrogen 3.039 N/A LEU 163.A N SER 159.A O no hydrogen 3.180 N/A LEU 164.A N ASP 160.A O no hydrogen 2.929 N/A ARG 165.A N GLN 161.A O no hydrogen 3.258 N/A CYS 166.A SG ASP 162.A O no hydrogen 2.999 N/A CYS 166.A SG LEU 163.A O no hydrogen 3.457 N/A PHE 174.A N ASP 189.A O no hydrogen 2.850 N/A THR 176.A N MET 187.A O no hydrogen 2.633 N/A LYS 177.A NZ GLU 175.A OE2 no hydrogen 3.506 N/A PHE 178.A N PHE 185.A O no hydrogen 3.204 N/A VAL 180.A N VAL 183.A O no hydrogen 3.043 N/A VAL 183.A N VAL 180.A O no hydrogen 3.186 N/A PHE 185.A N PHE 178.A O no hydrogen 2.887 N/A HIS 186.A N HIS 31.A O no hydrogen 2.625 N/A MET 187.A N THR 176.A O no hydrogen 2.642 N/A PHE 188.A N LEU 33.A O no hydrogen 2.832 N/A ASP 189.A N PHE 174.A O no hydrogen 2.934 N/A GLY 191.A N GLY 172.A O no hydrogen 2.636 N/A ALA 192.A N SER 171.A O no hydrogen 3.002 N/A GLN 193.A N GLY 191.A O no hydrogen 2.856 N/A ARG 198.A NH1 GLU 196.A OE1 no hydrogen 2.909 N/A ILE 201.A N ARG 197.A O no hydrogen 3.058 N/A CYS 203.A N TRP 200.A O no hydrogen 3.313 N/A CYS 203.A SG TRP 200.A O no hydrogen 3.280 N/A PHE 204.A N ILE 201.A O no hydrogen 3.269 N/A THR 208.A N ARG 32.A O no hydrogen 2.890 N/A ILE 210.A N SER 241.A O no hydrogen 2.930 N/A ILE 211.A N LEU 34.A O no hydrogen 2.663 N/A PHE 212.A N ILE 243.A O no hydrogen 2.690 N/A VAL 213.A N LEU 36.A O no hydrogen 2.914 N/A VAL 214.A N PHE 245.A O no hydrogen 2.837 N/A SER 217.A OG SER 216.A O no hydrogen 2.367 N/A SER 218.A OG ASN 219.A O no hydrogen 2.495 N/A ARG 220.A NH2 GLN 161.A OE1 no hydrogen 3.070 N/A GLN 222.A N ASN 219.A OD1 no hydrogen 3.220 N/A GLN 222.A NE2 GLN 222.A O no hydrogen 3.672 N/A LEU 225.A N LEU 221.A O no hydrogen 3.112 N/A LYS 226.A N GLN 222.A O no hydrogen 2.967 N/A LEU 227.A N ALA 223.A O no hydrogen 3.093 N/A PHE 228.A N ALA 224.A O no hydrogen 2.870 N/A ASP 229.A N LEU 225.A O no hydrogen 2.674 N/A SER 230.A N LYS 226.A O no hydrogen 2.846 N/A SER 230.A OG LYS 226.A O no hydrogen 2.778 N/A ILE 231.A N LEU 227.A O no hydrogen 2.870 N/A TRP 232.A N PHE 228.A O no hydrogen 2.775 N/A ASN 233.A N ASP 229.A O no hydrogen 3.295 N/A ASN 233.A ND2 ASP 229.A O no hydrogen 3.260 N/A ASN 233.A ND2 ASP 229.A OD1 no hydrogen 3.046 N/A ASN 234.A N ILE 231.A O no hydrogen 3.387 N/A TRP 236.A N ASN 234.A OD1 no hydrogen 3.026 N/A LEU 237.A N ASN 234.A O no hydrogen 3.211 N/A ARG 238.A NH2 ASN 233.A O no hydrogen 3.167 N/A THR 240.A N LEU 237.A O no hydrogen 3.364 N/A THR 240.A OG1 ASN 205.A O no hydrogen 2.964 N/A VAL 242.A N TYR 313.A O no hydrogen 2.964 N/A ILE 243.A N ILE 210.A O no hydrogen 2.793 N/A LEU 244.A N TYR 315.A O no hydrogen 2.931 N/A PHE 245.A N PHE 212.A O no hydrogen 2.867 N/A LEU 246.A N HIS 317.A O no hydrogen 2.883 N/A ASN 247.A N VAL 214.A O no hydrogen 2.831 N/A ASN 247.A ND2 SER 41.A O no hydrogen 2.257 N/A ASN 247.A ND2 SER 321.A OG no hydrogen 2.704 N/A GLN 249.A N ASN 247.A O no hydrogen 2.873 N/A LEU 252.A N LYS 248.A O no hydrogen 2.824 N/A ALA 253.A N GLN 249.A O no hydrogen 2.729 N/A GLU 254.A N ASP 250.A O no hydrogen 3.311 N/A LYS 255.A N LEU 251.A O no hydrogen 3.265 N/A LYS 255.A NZ SER 217.A O no hydrogen 3.471 N/A VAL 256.A N LEU 252.A O no hydrogen 3.351 N/A LEU 257.A N ALA 253.A O no hydrogen 3.055 N/A ALA 258.A N GLU 254.A O no hydrogen 2.874 N/A GLY 259.A N LYS 255.A O no hydrogen 3.026 N/A LYS 260.A N LYS 255.A O no hydrogen 2.951 N/A ASP 265.A N SER 261.A O no hydrogen 3.211 N/A TYR 266.A N LYS 262.A O no hydrogen 3.414 N/A PHE 267.A N GLU 264.A O no hydrogen 3.358 N/A GLU 269.A N GLU 269.A OE2 no hydrogen 2.507 N/A PHE 270.A N PHE 267.A O no hydrogen 2.918 N/A ALA 271.A N PRO 268.A O no hydrogen 3.452 N/A TYR 273.A OH ASP 298.A OD2 no hydrogen 2.525 N/A ALA 279.A N PRO 276.A O no hydrogen 3.055 N/A THR 280.A N TYR 294.A OH no hydrogen 3.273 N/A THR 280.A OG1 THR 280.A O no hydrogen 2.296 N/A ARG 288.A N ASP 286.A OD1 no hydrogen 3.239 N/A ARG 288.A NH1 ASP 286.A OD2 no hydrogen 2.779 N/A THR 290.A N ASP 286.A O no hydrogen 3.163 N/A ARG 291.A NH1 PHE 270.A O no hydrogen 3.210 N/A ARG 291.A NH1 TYR 273.A O no hydrogen 2.343 N/A ARG 291.A NH2 PHE 270.A O no hydrogen 3.220 N/A ALA 292.A N ARG 288.A O no hydrogen 2.998 N/A LYS 293.A N VAL 289.A O no hydrogen 2.946 N/A TYR 294.A N THR 290.A O no hydrogen 3.260 N/A PHE 295.A N ARG 291.A O no hydrogen 2.916 N/A ILE 296.A N ALA 292.A O no hydrogen 3.310 N/A ARG 297.A N LYS 293.A O no hydrogen 3.265 N/A ARG 297.A NH2 ASP 298.A OD1 no hydrogen 3.150 N/A ASP 298.A N TYR 294.A O no hydrogen 3.060 N/A GLU 299.A N PHE 295.A O no hydrogen 3.048 N/A GLU 299.A N ILE 296.A O no hydrogen 3.240 N/A PHE 300.A N ILE 296.A O no hydrogen 3.355 N/A LEU 301.A N ARG 297.A O no hydrogen 3.082 N/A ARG 302.A N ASP 298.A O no hydrogen 3.165 N/A SER 304.A N PHE 300.A O no hydrogen 2.948 N/A THR 305.A N LEU 301.A O no hydrogen 2.750 N/A THR 305.A OG1 LEU 301.A O no hydrogen 2.617 N/A THR 305.A OG1 ARG 302.A O no hydrogen 3.360 N/A SER 307.A OG ASN 233.A OD1 no hydrogen 2.837 N/A SER 307.A OG ALA 306.A O no hydrogen 2.525 N/A ARG 311.A N GLY 308.A O no hydrogen 3.343 N/A ARG 311.A NE ARG 238.A O no hydrogen 3.069 N/A TYR 313.A N SER 241.A OG no hydrogen 3.200 N/A TYR 315.A N VAL 242.A O no hydrogen 3.025 N/A HIS 317.A N LEU 244.A O no hydrogen 2.744 N/A HIS 317.A NE2 ASP 333.A OD1 no hydrogen 3.154 N/A HIS 317.A NE2 ASP 333.A OD2 no hydrogen 2.718 N/A THR 319.A N LEU 246.A O no hydrogen 3.155 N/A CYS 320.A SG ASP 250.A OD1 no hydrogen 3.755 N/A CYS 320.A SG THR 319.A O no hydrogen 3.159 N/A SER 321.A OG GLY 42.A O no hydrogen 3.466 N/A SER 321.A OG ASN 247.A OD1 no hydrogen 2.751 N/A ASN 326.A ND2 CYS 320.A O no hydrogen 3.583 N/A ARG 328.A NH1 ASP 181.A OD2 no hydrogen 3.100 N/A ARG 328.A NH2 ASP 181.A OD1 no hydrogen 3.387 N/A ARG 329.A N GLU 325.A O no hydrogen 3.123 N/A ARG 329.A NH1 ASN 326.A OD1 no hydrogen 3.139 N/A VAL 330.A N ASN 326.A O no hydrogen 3.149 N/A PHE 331.A N ILE 327.A O no hydrogen 2.975 N/A ASN 332.A N ARG 328.A O no hydrogen 2.822 N/A ASP 333.A N ARG 329.A O no hydrogen 2.934 N/A CYS 334.A N VAL 330.A O no hydrogen 2.854 N/A CYS 334.A SG VAL 330.A O no hydrogen 3.363 N/A ARG 335.A N PHE 331.A O no hydrogen 3.037 N/A ASP 336.A N ASN 332.A O no hydrogen 3.089 N/A ILE 337.A N ASP 333.A O no hydrogen 2.808 N/A ILE 338.A N CYS 334.A O no hydrogen 2.936 N/A GLN 339.A N ARG 335.A O no hydrogen 2.853 N/A ARG 340.A N ASP 336.A O no hydrogen 2.949 N/A ARG 340.A NE ASP 336.A OD1 no hydrogen 2.701 N/A MET 341.A N ILE 337.A O no hydrogen 2.928 N/A HIS 342.A N ILE 338.A O no hydrogen 2.919 N/A LEU 343.A N GLN 339.A O no hydrogen 2.662 N/A ARG 344.A N ARG 340.A O no hydrogen 2.873 N/A ARG 344.A NH1 TYR 313.A OH no hydrogen 3.169 N/A GLN 345.A N MET 341.A O no hydrogen 3.312 N/A GLN 345.A N HIS 342.A O no hydrogen 3.198 N/A TYR 346.A N HIS 342.A O no hydrogen 3.361 N/A GLU 347.A N ARG 344.A O no hydrogen 3.337 N/A LEU 348.A N LEU 343.A O no hydrogen 2.889 N/A