Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kd4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG VAL 102.A O no hydrogen 3.433 N/A HIS 2.A N VAL 102.A O no hydrogen 2.784 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.710 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.147 N/A LEU 4.A N CYS 100.A O no hydrogen 3.187 N/A ARG 5.A N TYR 26.A O no hydrogen 3.021 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 3.526 N/A TYR 6.A N ALA 98.A O no hydrogen 2.949 N/A PHE 7.A N VAL 24.A O no hydrogen 2.866 N/A VAL 8.A N TRP 96.A O no hydrogen 2.724 N/A THR 9.A N MET 22.A O no hydrogen 3.116 N/A ALA 10.A N LEU 94.A O no hydrogen 3.149 N/A VAL 11.A N ARG 20.A O no hydrogen 3.079 N/A SER 12.A N HIS 92.A O no hydrogen 2.989 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.204 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 2.732 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 2.828 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 2.768 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.718 N/A PHE 16.A N ARG 13.A O no hydrogen 3.060 N/A ARG 20.A N VAL 11.A O no hydrogen 2.950 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.459 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.013 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.343 N/A TYR 21.A N SER 37.A OG no hydrogen 2.348 N/A TYR 21.A OH GLU 23.A OE2 no hydrogen 2.840 N/A MET 22.A N THR 9.A O no hydrogen 3.025 N/A GLU 23.A N PHE 35.A O no hydrogen 3.126 N/A VAL 24.A N PHE 7.A O no hydrogen 3.042 N/A GLY 25.A N VAL 33.A O no hydrogen 3.186 N/A TYR 26.A N ARG 5.A O no hydrogen 2.769 N/A VAL 27.A N THR 30.A O no hydrogen 2.726 N/A ASP 28.A N SER 3.A O no hydrogen 2.851 N/A THR 30.A N VAL 27.A O no hydrogen 2.824 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 3.253 N/A PHE 32.A N GLY 25.A O no hydrogen 3.131 N/A ARG 34.A N GLU 45.A O no hydrogen 3.042 N/A SER 37.A N TYR 21.A O no hydrogen 2.858 N/A SER 37.A OG TYR 21.A O no hydrogen 3.117 N/A ALA 39.A N ASP 36.A O no hydrogen 3.150 N/A ARG 43.A NH1 GLU 60.A OE1 no hydrogen 3.071 N/A TYR 44.A OH GLU 23.A OE1 no hydrogen 2.307 N/A GLU 45.A N ARG 34.A O no hydrogen 3.468 N/A ARG 47.A N PHE 32.A O no hydrogen 2.369 N/A ARG 47.A NE GLU 31.A OE2 no hydrogen 3.106 N/A ILE 51.A N ALA 48.A O no hydrogen 2.951 N/A GLU 54.A N ILE 51.A O no hydrogen 2.713 N/A GLY 55.A N GLU 54.A OE1 no hydrogen 3.092 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.646 N/A TYR 58.A N GLY 55.A O no hydrogen 3.156 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.855 N/A TRP 59.A N GLY 55.A O no hydrogen 3.310 N/A GLU 60.A N PRO 56.A O no hydrogen 2.880 N/A ARG 61.A NH2 GLU 162.A OE1 no hydrogen 3.019 N/A GLU 62.A N TYR 58.A O no hydrogen 2.992 N/A THR 63.A N TRP 59.A O no hydrogen 2.724 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.746 N/A ARG 64.A N GLU 60.A O no hydrogen 2.870 N/A ARG 65.A N ARG 61.A O no hydrogen 3.151 N/A ARG 65.A NE GLU 62.A OE2 no hydrogen 2.327 N/A ARG 65.A NH1 GLU 23.A OE1 no hydrogen 3.264 N/A ARG 65.A NH2 GLU 23.A OE1 no hydrogen 3.520 N/A ARG 65.A NH2 TYR 44.A OH no hydrogen 3.372 N/A ARG 65.A NH2 GLU 62.A OE1 no hydrogen 2.756 N/A ARG 65.A NH2 GLU 62.A OE2 no hydrogen 2.980 N/A ALA 66.A N GLU 62.A O no hydrogen 3.208 N/A LYS 67.A N THR 63.A O no hydrogen 3.162 N/A GLY 68.A N ARG 64.A O no hydrogen 3.190 N/A ASN 69.A N ARG 65.A O no hydrogen 3.119 N/A GLU 70.A N ALA 66.A O no hydrogen 2.732 N/A GLN 71.A N LYS 67.A O no hydrogen 3.468 N/A PHE 73.A N ASN 69.A O no hydrogen 3.103 N/A ARG 74.A N GLU 70.A O no hydrogen 3.244 N/A VAL 75.A N GLN 71.A O no hydrogen 3.143 N/A ASP 76.A N SER 72.A O no hydrogen 2.705 N/A LEU 77.A N PHE 73.A O no hydrogen 2.953 N/A THR 79.A N VAL 75.A O no hydrogen 3.395 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.162 N/A ALA 80.A N ASP 76.A O no hydrogen 3.253 N/A LEU 81.A N ARG 78.A O no hydrogen 3.133 N/A ARG 82.A N THR 79.A O no hydrogen 3.101 N/A TYR 83.A N THR 79.A O no hydrogen 3.108 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.625 N/A GLN 86.A N LEU 81.A O no hydrogen 3.320 N/A GLY 89.A N SER 87.A OG no hydrogen 3.070 N/A GLY 90.A N SER 87.A OG no hydrogen 3.070 N/A HIS 92.A N SER 12.A OG no hydrogen 2.780 N/A HIS 92.A ND1 ASP 118.A OD1 no hydrogen 3.030 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.407 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.928 N/A LEU 94.A N ALA 10.A O no hydrogen 3.111 N/A GLN 95.A N ALA 116.A O no hydrogen 2.631 N/A TRP 96.A N VAL 8.A O no hydrogen 2.950 N/A MET 97.A N GLN 114.A O no hydrogen 3.068 N/A ALA 98.A N TYR 6.A O no hydrogen 3.241 N/A GLY 99.A N TYR 112.A O no hydrogen 3.039 N/A CYS 100.A N LEU 4.A O no hydrogen 3.155 N/A CYS 100.A SG LEU 4.A O no hydrogen 3.875 N/A ASP 101.A N ARG 110.A O no hydrogen 2.468 N/A VAL 102.A N HIS 2.A O no hydrogen 2.563 N/A GLU 103.A N ARG 107.A O no hydrogen 2.307 N/A GLY 106.A N GLU 103.A O no hydrogen 2.904 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.177 N/A ARG 107.A NH1 ASP 105.A OD2 no hydrogen 3.045 N/A ARG 107.A NH2 ASP 105.A OD2 no hydrogen 3.026 N/A LEU 109.A N ASP 101.A O no hydrogen 2.427 N/A ARG 110.A N ASP 101.A O no hydrogen 3.373 N/A TYR 112.A N GLY 99.A O no hydrogen 2.638 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.589 N/A GLN 114.A N MET 97.A O no hydrogen 3.089 N/A PHE 115.A N ILE 123.A O no hydrogen 2.663 N/A ALA 116.A N GLN 95.A O no hydrogen 2.915 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.814 N/A ASP 118.A N THR 93.A O no hydrogen 2.461 N/A CYS 120.A N TYR 117.A O no hydrogen 3.072 N/A TYR 122.A N PHE 115.A O no hydrogen 3.016 N/A ILE 123.A N PHE 115.A O no hydrogen 3.167 N/A ALA 124.A N THR 133.A O no hydrogen 3.150 N/A LEU 125.A N TRP 113.A O no hydrogen 2.673 N/A ASN 126.A ND2 THR 131.A O no hydrogen 2.328 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.542 N/A LEU 129.A N ASN 126.A O no hydrogen 2.763 N/A THR 133.A N ALA 124.A O no hydrogen 3.031 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.463 N/A ALA 135.A N TYR 122.A O no hydrogen 2.845 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.599 N/A GLN 140.A N ASP 136.A O no hydrogen 2.903 N/A THR 142.A N ALA 139.A O no hydrogen 3.280 N/A ARG 143.A NH1 GLU 147.A OE1 no hydrogen 2.685 N/A ARG 144.A N GLN 140.A O no hydrogen 3.372 N/A LYS 145.A N ILE 141.A O no hydrogen 3.384 N/A TRP 146.A N THR 142.A O no hydrogen 2.889 N/A GLU 147.A N ARG 143.A O no hydrogen 2.729 N/A GLN 148.A N ARG 144.A O no hydrogen 3.069 N/A ALA 149.A N LYS 145.A O no hydrogen 3.262 N/A GLY 150.A N GLU 147.A O no hydrogen 3.243 N/A ALA 151.A N TRP 146.A O no hydrogen 2.880 N/A ARG 154.A NH1 GLY 150.A O no hydrogen 2.575 N/A ASP 155.A N ALA 151.A O no hydrogen 3.369 N/A ARG 156.A N ALA 152.A O no hydrogen 3.001 N/A ARG 156.A NH1 ASP 128.A O no hydrogen 3.466 N/A ARG 156.A NH1 LEU 129.A O no hydrogen 2.929 N/A ALA 157.A N GLU 153.A O no hydrogen 3.095 N/A ALA 157.A N ARG 154.A O no hydrogen 3.009 N/A GLU 160.A N ARG 156.A O no hydrogen 3.097 N/A GLY 161.A N ALA 157.A O no hydrogen 2.810 N/A CYS 163.A N TYR 158.A O no hydrogen 2.931 N/A GLU 165.A N GLY 161.A O no hydrogen 3.143 N/A TRP 166.A N GLU 162.A O no hydrogen 2.909 N/A LEU 167.A N CYS 163.A O no hydrogen 3.007 N/A ARG 168.A N VAL 164.A O no hydrogen 3.149 N/A ARG 169.A N GLU 165.A O no hydrogen 3.201 N/A TYR 170.A N TRP 166.A O no hydrogen 2.672 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.855 N/A LEU 171.A N LEU 167.A O no hydrogen 2.732 N/A LYS 172.A N ARG 169.A O no hydrogen 3.304 N/A ASN 173.A N TYR 170.A O no hydrogen 3.243 N/A GLY 174.A N TYR 170.A O no hydrogen 3.245 N/A THR 177.A N GLY 174.A O no hydrogen 3.182 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.538 N/A LEU 178.A N GLY 174.A O no hydrogen 2.933 N/A LEU 179.A N ASN 175.A O no hydrogen 3.026 N/A THR 181.A OG1 GLU 263.A OE1 no hydrogen 3.312 N/A ASP 182.A N TYR 208.A O no hydrogen 2.630 N/A LYS 185.A N LEU 205.A O no hydrogen 2.831 N/A THR 189.A N ARG 201.A O no hydrogen 3.084 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 3.096 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.466 N/A HIS 191.A N THR 199.A O no hydrogen 3.105 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 3.096 N/A ARG 193.A N ASP 197.A O no hydrogen 3.003 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.499 N/A GLY 196.A N ARG 193.A O no hydrogen 3.128 N/A VAL 198.A N VAL 248.A O no hydrogen 2.861 N/A THR 199.A N HIS 191.A O no hydrogen 2.876 N/A LEU 200.A N VAL 246.A O no hydrogen 2.908 N/A ARG 201.A N THR 189.A O no hydrogen 3.164 N/A ARG 201.A NH2 GLU 228.A OE1 no hydrogen 2.683 N/A CYS 202.A N ALA 244.A O no hydrogen 2.777 N/A TRP 203.A N HIS 187.A O no hydrogen 2.959 N/A ALA 204.A N LYS 242.A O no hydrogen 3.102 N/A TYR 208.A N ASP 182.A O no hydrogen 3.012 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 3.253 N/A ALA 210.A N ASN 29.A OD1 no hydrogen 2.978 N/A THR 213.A N GLU 261.A O no hydrogen 3.454 N/A THR 215.A N HIS 259.A O no hydrogen 3.141 N/A THR 215.A OG1 HIS 259.A O no hydrogen 3.051 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.852 N/A GLN 217.A N THR 257.A O no hydrogen 2.587 N/A LEU 218.A N GLU 221.A O no hydrogen 2.814 N/A ASN 219.A N LYS 255.A O no hydrogen 3.256 N/A ASN 219.A ND2 ASN 219.A O no hydrogen 2.298 N/A GLU 221.A N LEU 218.A O no hydrogen 3.399 N/A GLU 226.A N LEU 223.A O no hydrogen 2.722 N/A MET 227.A N LEU 223.A O no hydrogen 3.122 N/A GLU 228.A N SER 245.A O no hydrogen 2.681 N/A VAL 230.A N TRP 243.A O no hydrogen 3.312 N/A ARG 233.A N GLN 241.A O no hydrogen 2.934 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.831 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.367 N/A ALA 235.A N THR 239.A O no hydrogen 2.961 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.882 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.230 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 3.143 N/A PHE 240.A N PHE 207.A O no hydrogen 2.840 N/A GLN 241.A N ARG 233.A O no hydrogen 2.760 N/A LYS 242.A N ALA 204.A O no hydrogen 3.188 N/A LYS 242.A NZ VAL 230.A O no hydrogen 3.044 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 2.983 N/A ALA 244.A N CYS 202.A O no hydrogen 3.178 N/A SER 245.A N GLU 228.A O no hydrogen 2.773 N/A SER 245.A OG GLU 228.A OE1 no hydrogen 2.651 N/A VAL 246.A N LEU 200.A O no hydrogen 2.978 N/A VAL 248.A N VAL 198.A O no hydrogen 2.706 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 3.431 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 3.268 N/A LYS 252.A N PRO 249.A O no hydrogen 2.931 N/A GLN 254.A NE2 GLY 251.A O no hydrogen 2.884 N/A LYS 255.A N LYS 252.A O no hydrogen 3.460 N/A THR 257.A N GLN 217.A O no hydrogen 2.496 N/A CYS 258.A N LEU 271.A O no hydrogen 2.644 N/A CYS 258.A SG THR 215.A O no hydrogen 3.499 N/A HIS 259.A N THR 215.A O no hydrogen 2.916 N/A VAL 260.A N LEU 269.A O no hydrogen 3.467 N/A GLU 261.A N THR 213.A O no hydrogen 3.362 N/A LEU 265.A N HIS 262.A O no hydrogen 3.325 N/A LEU 271.A N CYS 258.A O no hydrogen 2.814 N/A