Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vaq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.530 N/A GLY 5.A N PHE 79.A O no hydrogen 2.788 N/A VAL 7.A N VAL 80.A O no hydrogen 3.143 N/A PHE 8.A N VAL 161.A O no hydrogen 2.821 N/A GLY 9.A N SER 82.A O no hydrogen 2.720 N/A GLY 11.A N VAL 84.A O no hydrogen 3.217 N/A ASN 12.A ND2 PHE 167.A O no hydrogen 3.318 N/A LEU 15.A N GLY 119.A O no hydrogen 3.081 N/A ASP 16.A N ILE 59.A O no hydrogen 2.789 N/A ILE 17.A N VAL 121.A O no hydrogen 2.744 N/A ILE 18.A N ASN 57.A O no hydrogen 2.920 N/A VAL 19.A N VAL 123.A O no hydrogen 2.915 N/A ALA 21.A N VAL 125.A O no hydrogen 2.921 N/A TYR 26.A N ASP 23.A O no hydrogen 3.407 N/A TYR 26.A OH LEU 124.A O no hydrogen 3.168 N/A TYR 26.A OH SER 126.A OG no hydrogen 3.051 N/A LYS 28.A N PHE 24.A O no hydrogen 2.786 N/A LYS 28.A NZ GLU 49.A OE1 no hydrogen 3.258 N/A LYS 28.A NZ GLU 49.A OE2 no hydrogen 2.875 N/A TYR 29.A N MET 25.A O no hydrogen 3.149 N/A TYR 29.A OH THR 45.A OG1 no hydrogen 2.789 N/A TYR 29.A OH GLU 49.A OE1 no hydrogen 2.473 N/A ASN 30.A N ARG 27.A O no hydrogen 3.292 N/A LEU 31.A N TYR 26.A O no hydrogen 2.836 N/A ASP 34.A N ARG 130.A O no hydrogen 2.619 N/A VAL 37.A N MET 132.A O no hydrogen 3.101 N/A ALA 39.A N THR 134.A O no hydrogen 2.686 N/A GLU 40.A N HIS 43.A ND1 no hydrogen 3.070 N/A LYS 42.A NZ HIS 43.A NE2 no hydrogen 3.462 N/A HIS 43.A N GLU 40.A O no hydrogen 3.002 N/A MET 44.A N GLU 41.A O no hydrogen 3.382 N/A THR 45.A OG1 TYR 29.A OH no hydrogen 2.789 N/A ILE 46.A N HIS 43.A O no hydrogen 2.984 N/A TYR 47.A OH VAL 133.A O no hydrogen 2.935 N/A GLU 49.A N THR 45.A O no hydrogen 3.084 N/A ILE 50.A N ILE 46.A O no hydrogen 3.114 N/A LYS 52.A N GLU 49.A O no hydrogen 3.377 N/A LYS 53.A N ILE 50.A O no hydrogen 3.189 N/A LYS 53.A NZ GLU 49.A O no hydrogen 3.116 N/A ASN 57.A N ILE 18.A O no hydrogen 3.059 N/A TYR 58.A OH GLN 51.A OE1 no hydrogen 2.869 N/A ILE 59.A N ASP 16.A O no hydrogen 3.121 N/A ALA 60.A N TYR 95.A OH no hydrogen 3.130 N/A GLY 61.A N LEU 14.A O no hydrogen 2.592 N/A ASN 66.A N GLY 62.A O no hydrogen 2.824 N/A ASN 66.A ND2 ASP 300.A OD2 no hydrogen 3.476 N/A THR 67.A N ALA 63.A O no hydrogen 3.259 N/A THR 67.A OG1 ALA 63.A O no hydrogen 3.398 N/A THR 67.A OG1 ASP 300.A O no hydrogen 2.775 N/A VAL 68.A N THR 64.A O no hydrogen 2.973 N/A LYS 69.A N LEU 65.A O no hydrogen 3.028 N/A LYS 69.A NZ ASP 99.A OD2 no hydrogen 3.215 N/A MET 70.A N ASN 66.A O no hydrogen 3.155 N/A ILE 71.A N THR 67.A O no hydrogen 2.960 N/A GLN 72.A N VAL 68.A O no hydrogen 3.102 N/A GLN 72.A NE2 LYS 77.A O no hydrogen 2.508 N/A TRP 73.A N LYS 69.A O no hydrogen 2.946 N/A ILE 74.A N MET 70.A O no hydrogen 2.755 N/A ILE 75.A N ILE 71.A O no hydrogen 2.916 N/A GLN 76.A N GLN 72.A O no hydrogen 3.149 N/A LYS 77.A NZ LEU 2.A O no hydrogen 3.400 N/A PHE 79.A N ASP 104.A O no hydrogen 2.939 N/A CYS 81.A N GLN 72.A OE1 no hydrogen 2.776 N/A CYS 81.A SG VAL 68.A O no hydrogen 3.510 N/A SER 82.A N VAL 7.A O no hydrogen 2.697 N/A TYR 83.A N VAL 106.A O no hydrogen 2.905 N/A VAL 84.A N GLY 9.A O no hydrogen 2.870 N/A CYS 86.A SG ILE 87.A O no hydrogen 3.960 N/A CYS 86.A SG GLN 110.A O no hydrogen 3.340 N/A CYS 86.A SG ALA 138.A O no hydrogen 3.126 N/A ILE 87.A N GLN 110.A O no hydrogen 2.944 N/A GLY 88.A N THR 118.A OG1 no hydrogen 2.729 N/A GLN 92.A N GLN 92.A OE1 no hydrogen 2.940 N/A GLY 93.A N ASP 90.A OD2 no hydrogen 2.985 N/A LYS 94.A N ASP 90.A O no hydrogen 3.216 N/A TYR 95.A N ILE 91.A O no hydrogen 2.898 N/A ILE 96.A N GLN 92.A O no hydrogen 3.079 N/A LYS 97.A N GLY 93.A O no hydrogen 2.909 N/A LYS 97.A NZ SER 101.A OG no hydrogen 3.060 N/A ASN 98.A N LYS 94.A O no hydrogen 2.888 N/A ASP 99.A N TYR 95.A O no hydrogen 2.926 N/A CYS 100.A N ILE 96.A O no hydrogen 3.139 N/A CYS 100.A SG ILE 96.A O no hydrogen 3.250 N/A SER 101.A N LYS 97.A O no hydrogen 3.167 N/A SER 101.A OG LYS 97.A O no hydrogen 3.305 N/A ALA 102.A N ASN 98.A O no hydrogen 3.087 N/A LEU 103.A N CYS 100.A O no hydrogen 3.117 N/A ASP 104.A N SER 101.A O no hydrogen 3.259 N/A LEU 105.A N CYS 100.A O no hydrogen 3.103 N/A VAL 106.A N CYS 81.A O no hydrogen 3.322 N/A GLU 108.A N TYR 83.A O no hydrogen 3.112 N/A GLN 110.A N GLY 85.A O no hydrogen 2.733 N/A GLN 110.A NE2 ASP 141.A O no hydrogen 2.808 N/A ALA 112.A N ILE 87.A O no hydrogen 2.960 N/A LEU 116.A N GLU 113.A O no hydrogen 3.126 N/A THR 118.A N ASP 90.A OD1 no hydrogen 2.986 N/A THR 118.A OG1 ASP 90.A OD1 no hydrogen 3.511 N/A THR 118.A OG1 ASP 90.A OD2 no hydrogen 2.654 N/A LYS 120.A N TYR 135.A O no hydrogen 2.914 N/A VAL 121.A N LEU 15.A O no hydrogen 2.738 N/A ALA 122.A N VAL 133.A O no hydrogen 2.894 N/A VAL 123.A N ILE 17.A O no hydrogen 3.003 N/A LEU 124.A N SER 131.A O no hydrogen 2.849 N/A VAL 125.A N VAL 19.A O no hydrogen 2.784 N/A SER 126.A N LEU 129.A O no hydrogen 2.990 N/A SER 126.A OG TYR 26.A OH no hydrogen 3.051 N/A SER 126.A OG LEU 129.A O no hydrogen 2.534 N/A LEU 129.A N SER 126.A OG no hydrogen 2.986 N/A ARG 130.A NH2 ASP 34.A OD2 no hydrogen 3.335 N/A SER 131.A N LEU 124.A O no hydrogen 3.058 N/A SER 131.A OG LYS 32.A O no hydrogen 3.055 N/A MET 132.A N ASN 35.A O no hydrogen 3.093 N/A VAL 133.A N ALA 122.A O no hydrogen 3.054 N/A THR 134.A N VAL 37.A O no hydrogen 2.902 N/A TYR 135.A N LYS 120.A O no hydrogen 2.884 N/A ALA 138.A N MET 117.A O no hydrogen 2.870 N/A ALA 139.A N LEU 136.A O no hydrogen 3.111 N/A CYS 140.A N GLY 137.A O no hydrogen 3.148 N/A ASP 141.A N ALA 138.A O no hydrogen 2.989 N/A LEU 142.A N ALA 139.A O no hydrogen 3.387 N/A SER 143.A N GLN 110.A OE1 no hydrogen 3.001 N/A HIS 146.A N SER 143.A OG no hydrogen 3.142 N/A HIS 146.A NE2 GLU 108.A O no hydrogen 2.978 N/A ILE 147.A N SER 143.A O no hydrogen 3.438 N/A GLU 148.A N LEU 144.A O no hydrogen 2.886 N/A VAL 152.A N GLN 149.A O no hydrogen 2.997 N/A TRP 153.A N GLN 149.A O no hydrogen 2.647 N/A SER 154.A N PRO 150.A O no hydrogen 3.290 N/A SER 154.A OG PRO 150.A O no hydrogen 3.308 N/A LEU 155.A N VAL 152.A O no hydrogen 3.096 N/A GLU 157.A N TRP 153.A O no hydrogen 3.065 N/A LYS 158.A N SER 154.A O no hydrogen 3.159 N/A ALA 159.A N VAL 156.A O no hydrogen 3.339 N/A GLN 160.A N TYR 6.A O no hydrogen 2.933 N/A VAL 161.A N TYR 6.A O no hydrogen 3.007 N/A TYR 162.A N LEU 189.A O no hydrogen 2.747 N/A TYR 162.A OH VAL 156.A O no hydrogen 2.422 N/A TYR 163.A N PHE 8.A O no hydrogen 3.060 N/A ILE 164.A N CYS 191.A O no hydrogen 3.089 N/A ALA 165.A N THR 64.A OG1 no hydrogen 3.116 N/A GLY 166.A N ASN 193.A O no hydrogen 2.742 N/A GLY 166.A N SER 195.A OG no hydrogen 2.844 N/A VAL 168.A N ALA 165.A O no hydrogen 3.219 N/A ILE 169.A N GLY 166.A O no hydrogen 3.120 N/A ASN 170.A N PHE 167.A O no hydrogen 3.311 N/A ASN 170.A ND2 ASN 203.A OD1 no hydrogen 3.676 N/A THR 171.A N VAL 168.A O no hydrogen 3.084 N/A THR 171.A OG1 ASN 12.A OD1 no hydrogen 2.640 N/A THR 171.A OG1 VAL 168.A O no hydrogen 3.198 N/A CYS 172.A N VAL 168.A O no hydrogen 2.848 N/A CYS 172.A SG LEU 142.A O no hydrogen 3.298 N/A TYR 173.A OH GLU 209.A OE1 no hydrogen 2.358 N/A MET 176.A N CYS 172.A O no hydrogen 3.333 N/A LEU 177.A N TYR 173.A O no hydrogen 2.947 N/A LYS 178.A N GLU 174.A O no hydrogen 3.184 N/A LYS 178.A NZ GLU 148.A OE2 no hydrogen 3.330 N/A ILE 179.A N GLY 175.A O no hydrogen 3.103 N/A ALA 180.A N MET 176.A O no hydrogen 2.988 N/A LYS 181.A N LEU 177.A O no hydrogen 3.022 N/A HIS 182.A N LYS 178.A O no hydrogen 3.046 N/A SER 183.A N ILE 179.A O no hydrogen 2.808 N/A LEU 184.A N ALA 180.A O no hydrogen 3.089 N/A GLU 185.A N LYS 181.A O no hydrogen 2.893 N/A ASN 186.A N HIS 182.A O no hydrogen 3.100 N/A GLU 187.A N LEU 184.A O no hydrogen 3.405 N/A LYS 188.A N SER 183.A O no hydrogen 2.756 N/A LYS 188.A NZ VAL 156.A O no hydrogen 3.438 N/A LYS 188.A NZ GLU 157.A O no hydrogen 2.875 N/A LYS 188.A NZ ALA 159.A O no hydrogen 2.824 N/A LYS 188.A NZ TYR 162.A OH no hydrogen 3.110 N/A LYS 188.A NZ HIS 182.A NE2 no hydrogen 2.991 N/A LEU 189.A N GLN 160.A O no hydrogen 2.947 N/A PHE 190.A N ASN 215.A OD1 no hydrogen 2.913 N/A CYS 191.A N TYR 162.A O no hydrogen 2.688 N/A PHE 192.A N ILE 216.A O no hydrogen 2.855 N/A ASN 193.A ND2 TYR 163.A OH no hydrogen 2.992 N/A LEU 194.A N PHE 218.A O no hydrogen 2.941 N/A SER 195.A N ASN 193.A OD1 no hydrogen 2.671 N/A SER 195.A OG ASN 193.A O no hydrogen 3.069 N/A ALA 196.A N LEU 194.A O no hydrogen 2.552 N/A LEU 199.A N ALA 196.A O no hydrogen 3.151 N/A SER 200.A N PRO 197.A O no hydrogen 3.149 N/A GLN 201.A N PRO 197.A O no hydrogen 3.263 N/A PHE 202.A N PHE 198.A O no hydrogen 2.824 N/A ASN 203.A N LEU 199.A O no hydrogen 2.945 N/A THR 204.A OG1 SER 200.A O no hydrogen 2.481 N/A THR 204.A OG1 GLN 201.A O no hydrogen 3.353 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.792 N/A VAL 207.A N ASN 203.A O no hydrogen 3.040 N/A ASP 208.A N THR 204.A O no hydrogen 3.004 N/A GLU 209.A N LYS 205.A O no hydrogen 3.110 N/A MET 210.A N GLU 206.A O no hydrogen 2.993 N/A ILE 211.A N VAL 207.A O no hydrogen 2.990 N/A SER 212.A N ASP 208.A O no hydrogen 3.240 N/A SER 212.A N GLU 209.A O no hydrogen 3.236 N/A SER 212.A OG GLU 209.A O no hydrogen 2.422 N/A TYR 213.A N MET 210.A O no hydrogen 3.029 N/A SER 214.A N ILE 211.A O no hydrogen 2.947 N/A SER 214.A OG MET 210.A O no hydrogen 2.596 N/A ASN 215.A N PHE 190.A O no hydrogen 2.928 N/A ILE 216.A N PHE 190.A O no hydrogen 3.347 N/A VAL 217.A N LEU 259.A O no hydrogen 2.798 N/A PHE 218.A N PHE 192.A O no hydrogen 2.743 N/A GLY 219.A N ILE 261.A O no hydrogen 3.033 N/A ASN 220.A N GLU 223.A OE1 no hydrogen 3.170 N/A SER 222.A OG ASN 220.A OD1 no hydrogen 2.957 N/A GLU 223.A N ASN 220.A OD1 no hydrogen 2.923 N/A ALA 224.A N ASN 220.A O no hydrogen 3.080 N/A GLU 225.A N GLU 221.A O no hydrogen 3.035 N/A ALA 226.A N SER 222.A O no hydrogen 3.120 N/A TYR 227.A N GLU 223.A O no hydrogen 2.818 N/A TYR 227.A OH ASP 208.A OD1 no hydrogen 2.564 N/A GLY 228.A N ALA 224.A O no hydrogen 2.762 N/A GLU 229.A N GLU 225.A O no hydrogen 2.955 N/A VAL 230.A N ALA 226.A O no hydrogen 3.328 N/A HIS 231.A N TYR 227.A O no hydrogen 3.228 N/A HIS 231.A ND1 TYR 227.A O no hydrogen 2.674 N/A HIS 231.A NE2 ASP 208.A OD2 no hydrogen 2.784 N/A GLY 232.A N GLU 229.A O no hydrogen 3.048 N/A LEU 233.A N GLY 228.A O no hydrogen 2.755 N/A THR 237.A OG1 LEU 233.A O no hydrogen 2.897 N/A ALA 240.A N ASP 236.A O no hydrogen 2.620 N/A THR 241.A N THR 237.A O no hydrogen 2.801 N/A THR 241.A OG1 ALA 224.A O no hydrogen 2.908 N/A THR 241.A OG1 THR 237.A O no hydrogen 2.661 N/A ALA 242.A N VAL 238.A O no hydrogen 3.141 N/A ARG 243.A N HIS 239.A O no hydrogen 3.055 N/A ARG 243.A NH1 ASP 247.A OD1 no hydrogen 3.171 N/A ARG 243.A NH1 ASP 273.A O no hydrogen 3.115 N/A ARG 243.A NH2 THR 272.A OG1 no hydrogen 2.725 N/A TYR 244.A N ALA 240.A O no hydrogen 2.751 N/A ILE 245.A N THR 241.A O no hydrogen 2.859 N/A ALA 246.A N ALA 242.A O no hydrogen 3.147 N/A ASP 247.A N ARG 243.A O no hydrogen 2.999 N/A ASP 247.A N TYR 244.A O no hydrogen 3.201 N/A ALA 251.A N SER 212.A O no hydrogen 2.972 N/A GLY 253.A N PHE 250.A O no hydrogen 2.942 N/A LYS 254.A N ASP 252.A OD1 no hydrogen 2.944 N/A ARG 256.A NE GLU 187.A OE2 no hydrogen 2.725 N/A ARG 256.A NH1 GLU 187.A OE2 no hydrogen 2.846 N/A ARG 256.A NH1 ASP 252.A OD2 no hydrogen 2.367 N/A ARG 256.A NH2 ASP 252.A OD1 no hydrogen 2.709 N/A ARG 256.A NH2 ASP 252.A OD2 no hydrogen 3.063 N/A LYS 257.A NZ TYR 310.A OH no hydrogen 3.539 N/A ARG 258.A N SER 274.A OG no hydrogen 3.084 N/A ARG 258.A NE ILE 245.A O no hydrogen 2.867 N/A ARG 258.A NH1 SER 214.A O no hydrogen 3.161 N/A ARG 258.A NH2 ILE 245.A O no hydrogen 3.347 N/A LEU 259.A N ASN 215.A O no hydrogen 2.734 N/A VAL 260.A N THR 272.A O no hydrogen 2.944 N/A ILE 261.A N VAL 217.A O no hydrogen 2.973 N/A ILE 262.A N LEU 270.A O no hydrogen 2.806 N/A THR 263.A N GLY 219.A O no hydrogen 2.867 N/A THR 263.A OG1 GLY 219.A O no hydrogen 3.394 N/A ARG 264.A NE GLU 221.A OE1 no hydrogen 3.236 N/A ARG 264.A NH1 PRO 268.A O no hydrogen 2.741 N/A ASN 267.A N ARG 264.A O no hydrogen 3.189 N/A LEU 269.A N PHE 282.A O no hydrogen 3.046 N/A LEU 270.A N ILE 262.A O no hydrogen 2.835 N/A TYR 271.A N HIS 280.A O no hydrogen 3.131 N/A THR 272.A N VAL 260.A O no hydrogen 3.137 N/A THR 272.A OG1 ASP 273.A O no hydrogen 3.435 N/A THR 272.A OG1 GLU 278.A O no hydrogen 2.971 N/A SER 274.A OG ALA 246.A O no hydrogen 2.412 N/A SER 275.A N ASP 273.A OD1 no hydrogen 3.067 N/A SER 275.A OG ASP 273.A OD1 no hydrogen 2.515 N/A ASP 276.A N ASP 273.A O no hydrogen 3.118 N/A GLU 278.A N ASP 276.A OD2 no hydrogen 2.863 N/A HIS 280.A N TYR 271.A O no hydrogen 3.049 N/A HIS 280.A NE2 ASP 276.A OD1 no hydrogen 2.565 N/A PHE 282.A N LEU 269.A O no hydrogen 2.881 N/A GLN 286.A NE2 LYS 266.A O no hydrogen 2.854 N/A GLN 286.A NE2 VAL 284.A O no hydrogen 3.368 N/A LYS 288.A N GLN 291.A OE1 no hydrogen 2.525 N/A GLN 291.A N LYS 288.A O no hydrogen 3.372 N/A ILE 293.A N ILE 331.A O no hydrogen 3.217 N/A ASP 294.A N ILE 331.A O no hydrogen 2.977 N/A ASN 296.A N ASP 294.A OD1 no hydrogen 3.271 N/A ALA 298.A N THR 295.A O no hydrogen 3.202 N/A ALA 301.A N GLY 297.A O no hydrogen 3.022 N/A PHE 302.A N ALA 298.A O no hydrogen 2.916 N/A ALA 303.A N GLY 299.A O no hydrogen 3.127 N/A ALA 304.A N ASP 300.A O no hydrogen 3.229 N/A GLY 305.A N ALA 301.A O no hydrogen 2.823 N/A PHE 306.A N PHE 302.A O no hydrogen 3.089 N/A ILE 307.A N ALA 303.A O no hydrogen 2.975 N/A ALA 308.A N ALA 304.A O no hydrogen 3.044 N/A TYR 310.A N PHE 306.A O no hydrogen 2.837 N/A ILE 311.A N ILE 307.A O no hydrogen 2.980 N/A ARG 312.A N ASP 309.A O no hydrogen 3.036 N/A ARG 312.A NE ALA 308.A O no hydrogen 2.767 N/A ARG 312.A NH2 ALA 308.A O no hydrogen 3.560 N/A ARG 312.A NH2 ASP 309.A OD1 no hydrogen 3.025 N/A GLY 313.A N TYR 310.A O no hydrogen 3.382 N/A LYS 314.A N ASP 309.A O no hydrogen 3.329 N/A SER 319.A N PRO 315.A O no hydrogen 2.986 N/A SER 319.A OG LYS 314.A O no hydrogen 3.191 N/A SER 319.A OG PRO 315.A O no hydrogen 2.876 N/A LEU 320.A N MET 316.A O no hydrogen 2.952 N/A HIS 321.A N ILE 317.A O no hydrogen 3.114 N/A HIS 321.A ND1 ILE 317.A O no hydrogen 3.128 N/A ALA 322.A N THR 318.A O no hydrogen 3.090 N/A ALA 323.A N SER 319.A O no hydrogen 2.956 N/A VAL 324.A N LEU 320.A O no hydrogen 3.064 N/A LYS 325.A N HIS 321.A O no hydrogen 3.019 N/A LYS 325.A NZ SER 345.A OG no hydrogen 2.765 N/A ALA 326.A N ALA 322.A O no hydrogen 3.032 N/A ALA 327.A N ALA 323.A O no hydrogen 3.000 N/A ALA 328.A N VAL 324.A O no hydrogen 2.785 N/A TYR 329.A N LYS 325.A O no hydrogen 2.997 N/A ILE 330.A N ALA 326.A O no hydrogen 3.283 N/A ILE 331.A N ALA 327.A O no hydrogen 2.831 N/A CYS 332.A N ALA 328.A O no hydrogen 3.248 N/A CYS 332.A SG GLN 291.A O no hydrogen 3.837 N/A CYS 332.A SG ALA 328.A O no hydrogen 3.511 N/A ARG 333.A N ILE 330.A O no hydrogen 2.832 N/A ARG 333.A NE SER 337.A O no hydrogen 2.758 N/A ARG 333.A NE SER 337.A OG no hydrogen 3.063 N/A ARG 333.A NH2 SER 337.A OG no hydrogen 3.400 N/A GLY 335.A N ASP 294.A OD2 no hydrogen 3.145 N/A SER 337.A OG SER 334.A O no hydrogen 3.446 N/A GLY 339.A N TYR 329.A OH no hydrogen 2.964 N/A ARG 341.A NE TRP 73.A O no hydrogen 3.045 N/A ARG 341.A NE ILE 74.A O no hydrogen 3.461 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 2.867 N/A ARG 341.A NH2 ILE 74.A O no hydrogen 2.975 N/A SER 343.A N SER 340.A O no hydrogen 3.123 N/A TYR 344.A N ARG 341.A O no hydrogen 3.279 N/A