Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wwk_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N CYS 95.A O no hydrogen 2.791 N/A ARG 4.A N TRP 24.A O no hydrogen 2.896 N/A ARG 4.A NH2 GLY 26.A O no hydrogen 3.035 N/A CYS 5.A N ALA 93.A O no hydrogen 2.719 N/A LEU 6.A N LEU 22.A O no hydrogen 2.792 N/A GLN 7.A N VAL 91.A O no hydrogen 2.871 N/A GLN 7.A NE2 SER 9.A OG no hydrogen 2.983 N/A ILE 8.A N ASP 20.A O no hydrogen 2.735 N/A SER 9.A N LEU 89.A O no hydrogen 2.678 N/A SER 9.A OG THR 19.A OG1 no hydrogen 2.813 N/A SER 10.A N ARG 18.A O no hydrogen 2.972 N/A SER 10.A OG GLU 88.A OE1 no hydrogen 3.287 N/A PHE 11.A N LEU 87.A O no hydrogen 2.888 N/A SER 15.A N ASN 13.A OD1 no hydrogen 2.907 N/A TRP 16.A N ASN 13.A OD1 no hydrogen 2.752 N/A ARG 18.A N SER 10.A O no hydrogen 3.000 N/A ARG 18.A NH1 ASP 36.A OD1 no hydrogen 3.473 N/A ARG 18.A NH2 ASP 36.A OD1 no hydrogen 3.402 N/A THR 19.A OG1 SER 9.A OG no hydrogen 2.813 N/A ASP 20.A N ILE 8.A O no hydrogen 2.893 N/A GLY 21.A N TRP 33.A O no hydrogen 2.796 N/A LEU 22.A N LEU 6.A O no hydrogen 3.058 N/A ALA 23.A N HIS 31.A O no hydrogen 3.168 N/A TRP 24.A N ARG 4.A O no hydrogen 2.946 N/A LEU 25.A N LEU 28.A O no hydrogen 2.849 N/A GLY 26.A N PRO 2.A O no hydrogen 3.076 N/A LEU 28.A N LEU 25.A O no hydrogen 3.372 N/A GLN 29.A NE2 HIS 31.A O no hydrogen 3.177 N/A THR 30.A N ALA 23.A O no hydrogen 2.905 N/A THR 30.A OG1 ALA 23.A O no hydrogen 3.510 N/A THR 30.A OG1 HIS 31.A ND1 no hydrogen 2.744 N/A HIS 31.A N ALA 23.A O no hydrogen 3.473 N/A HIS 31.A ND1 THR 30.A OG1 no hydrogen 2.744 N/A HIS 31.A NE2 SER 47.A O no hydrogen 2.785 N/A SER 32.A N ARG 41.A O no hydrogen 2.854 N/A TRP 33.A N GLY 21.A O no hydrogen 2.932 N/A SER 34.A OG ASP 36.A OD2 no hydrogen 2.869 N/A ASN 35.A N ASP 20.A OD2 no hydrogen 3.130 N/A LEU 43.A N THR 30.A O no hydrogen 2.931 N/A LYS 44.A N SER 47.A OG no hydrogen 2.812 N/A LYS 44.A NZ GLU 173.A OE2 no hydrogen 2.688 N/A TRP 46.A NE1 GLU 173.A OE1 no hydrogen 2.766 N/A SER 47.A N LYS 44.A O no hydrogen 3.004 N/A SER 47.A OG THR 30.A O no hydrogen 2.800 N/A SER 47.A OG LYS 44.A O no hydrogen 2.841 N/A GLN 48.A NE2 PHE 51.A O no hydrogen 3.085 N/A GLN 48.A NE2 ASP 53.A OD1 no hydrogen 3.022 N/A GLY 49.A N TRP 46.A O no hydrogen 3.061 N/A PHE 51.A N GLN 48.A O no hydrogen 3.278 N/A SER 52.A N GLN 55.A OE1 no hydrogen 2.846 N/A SER 52.A OG GLN 54.A OE1 no hydrogen 3.424 N/A SER 52.A OG GLN 55.A OE1 no hydrogen 3.559 N/A GLN 54.A N GLN 54.A OE1 no hydrogen 2.960 N/A GLN 55.A N SER 52.A OG no hydrogen 3.313 N/A TRP 56.A N SER 52.A O no hydrogen 2.914 N/A GLU 57.A N ASP 53.A O no hydrogen 2.952 N/A THR 58.A N GLN 54.A O no hydrogen 3.135 N/A LEU 59.A N GLN 55.A O no hydrogen 3.112 N/A GLN 60.A N TRP 56.A O no hydrogen 3.051 N/A HIS 61.A N GLU 57.A O no hydrogen 2.988 N/A ILE 62.A N THR 58.A O no hydrogen 3.169 N/A PHE 63.A N LEU 59.A O no hydrogen 3.146 N/A ARG 64.A N GLN 60.A O no hydrogen 3.060 N/A ARG 64.A NE ASP 38.A O no hydrogen 2.727 N/A VAL 65.A N HIS 61.A O no hydrogen 3.040 N/A TYR 66.A N ILE 62.A O no hydrogen 2.736 N/A TYR 66.A OH GLN 7.A OE1 no hydrogen 2.829 N/A ARG 67.A N PHE 63.A O no hydrogen 2.791 N/A ARG 67.A NH1 SER 34.A O no hydrogen 3.196 N/A ARG 67.A NH1 SER 37.A O no hydrogen 3.287 N/A ARG 67.A NH2 SER 37.A O no hydrogen 2.818 N/A SER 68.A N ARG 64.A O no hydrogen 3.266 N/A SER 68.A OG VAL 65.A O no hydrogen 2.583 N/A SER 69.A N VAL 65.A O no hydrogen 2.947 N/A SER 69.A OG VAL 65.A O no hydrogen 2.720 N/A PHE 70.A N TYR 66.A O no hydrogen 2.802 N/A THR 71.A N ARG 67.A O no hydrogen 3.140 N/A THR 71.A OG1 ARG 67.A O no hydrogen 3.144 N/A ARG 72.A N SER 68.A O no hydrogen 3.198 N/A ASP 73.A N SER 69.A O no hydrogen 2.882 N/A VAL 74.A N PHE 70.A O no hydrogen 2.956 N/A LYS 75.A N THR 71.A O no hydrogen 3.066 N/A LYS 75.A NZ SER 14.A O no hydrogen 2.734 N/A LYS 75.A NZ THR 17.A OG1 no hydrogen 3.326 N/A GLU 76.A N ARG 72.A O no hydrogen 2.920 N/A PHE 77.A N ASP 73.A O no hydrogen 2.808 N/A ALA 78.A N VAL 74.A O no hydrogen 2.861 N/A LYS 79.A N LYS 75.A O no hydrogen 3.290 N/A MET 80.A N GLU 76.A O no hydrogen 3.116 N/A LEU 81.A N PHE 77.A O no hydrogen 2.869 N/A LEU 83.A N ALA 78.A O no hydrogen 2.974 N/A LEU 87.A N PHE 11.A O no hydrogen 2.840 N/A GLU 88.A N GLN 112.A OE1 no hydrogen 3.029 N/A LEU 89.A N SER 9.A O no hydrogen 2.934 N/A GLN 90.A N ALA 110.A O no hydrogen 3.311 N/A VAL 91.A N GLN 7.A O no hydrogen 3.136 N/A SER 92.A N HIS 108.A O no hydrogen 2.669 N/A ALA 93.A N CYS 5.A O no hydrogen 2.981 N/A GLY 94.A N PHE 106.A O no hydrogen 2.952 N/A CYS 95.A N LEU 3.A O no hydrogen 3.270 N/A GLU 96.A N ASN 104.A O no hydrogen 3.079 N/A HIS 98.A N ALA 102.A O no hydrogen 2.945 N/A HIS 98.A NE2 ASN 104.A OD1 no hydrogen 2.726 N/A ASN 104.A N GLU 96.A O no hydrogen 3.228 N/A PHE 106.A N GLY 94.A O no hydrogen 2.808 N/A HIS 108.A N SER 92.A O no hydrogen 2.953 N/A VAL 109.A N LEU 117.A O no hydrogen 2.936 N/A ALA 110.A N GLN 90.A O no hydrogen 2.874 N/A PHE 111.A N LYS 114.A O no hydrogen 2.786 N/A GLN 112.A N GLU 88.A O no hydrogen 3.005 N/A GLN 112.A NE2 PRO 86.A O no hydrogen 2.869 N/A ILE 116.A N VAL 109.A O no hydrogen 3.226 N/A LEU 117.A N VAL 109.A O no hydrogen 3.449 N/A SER 118.A N GLU 125.A O no hydrogen 2.983 N/A SER 118.A OG GLN 120.A OE1 no hydrogen 3.133 N/A PHE 119.A N PHE 107.A O no hydrogen 3.143 N/A GLN 120.A N SER 123.A O no hydrogen 2.769 N/A SER 123.A N GLN 120.A O no hydrogen 3.135 N/A TRP 124.A N ASN 142.A OD1 no hydrogen 2.894 N/A GLU 125.A N SER 118.A O no hydrogen 2.746 N/A THR 127.A N ILE 116.A O no hydrogen 3.069 N/A THR 127.A OG1 ASP 115.A O no hydrogen 3.488 N/A THR 127.A OG1 ILE 116.A O no hydrogen 3.134 N/A ALA 130.A N THR 127.A O no hydrogen 3.298 N/A VAL 134.A N PRO 131.A O no hydrogen 2.821 N/A ALA 137.A N TRP 133.A O no hydrogen 3.067 N/A ILE 138.A N VAL 134.A O no hydrogen 2.884 N/A GLN 139.A N ASN 135.A O no hydrogen 3.274 N/A LEU 141.A N ALA 137.A O no hydrogen 2.919 N/A ASN 142.A N ILE 138.A O no hydrogen 2.769 N/A ASN 142.A ND2 TRP 124.A O no hydrogen 3.528 N/A GLN 143.A N VAL 140.A O no hydrogen 3.223 N/A THR 147.A N ASP 144.A OD1 no hydrogen 3.093 N/A THR 147.A OG1 ASP 144.A OD1 no hydrogen 3.198 N/A THR 147.A OG1 ASP 144.A OD2 no hydrogen 2.698 N/A ARG 148.A NE ASN 142.A O no hydrogen 2.993 N/A ARG 148.A NH1 THR 122.A O no hydrogen 2.743 N/A GLU 149.A N LYS 145.A O no hydrogen 2.851 N/A GLU 149.A N TRP 146.A O no hydrogen 3.306 N/A THR 150.A N TRP 146.A O no hydrogen 2.948 N/A THR 150.A OG1 TRP 146.A O no hydrogen 2.747 N/A VAL 151.A N THR 147.A O no hydrogen 2.846 N/A TRP 153.A N GLU 149.A O no hydrogen 3.162 N/A LEU 154.A N THR 150.A O no hydrogen 3.225 N/A LEU 155.A N VAL 151.A O no hydrogen 3.106 N/A ASN 156.A N GLN 152.A O no hydrogen 3.225 N/A GLY 157.A N TRP 153.A O no hydrogen 2.895 N/A THR 158.A N TRP 153.A O no hydrogen 3.299 N/A THR 158.A OG1 TRP 153.A O no hydrogen 3.466 N/A CYS 159.A N LEU 154.A O no hydrogen 2.762 N/A GLN 161.A N GLY 157.A O no hydrogen 3.343 N/A PHE 162.A N THR 158.A O no hydrogen 2.896 N/A VAL 163.A N CYS 159.A O no hydrogen 2.920 N/A SER 164.A N PRO 160.A O no hydrogen 2.945 N/A SER 164.A OG PRO 160.A O no hydrogen 2.880 N/A GLY 165.A N GLN 161.A O no hydrogen 3.275 N/A LEU 166.A N PHE 162.A O no hydrogen 2.946 N/A LEU 167.A N VAL 163.A O no hydrogen 2.898 N/A GLU 168.A N SER 164.A O no hydrogen 3.220 N/A GLU 168.A N GLY 165.A O no hydrogen 3.110 N/A SER 169.A N GLY 165.A O no hydrogen 2.997 N/A SER 169.A OG TRP 46.A O no hydrogen 3.351 N/A SER 169.A OG GLY 165.A O no hydrogen 3.169 N/A SER 169.A OG LEU 166.A O no hydrogen 3.325 N/A GLY 170.A N LEU 166.A O no hydrogen 2.762 N/A LEU 174.A N GLY 170.A O no hydrogen 2.973 N/A LYS 175.A N LYS 171.A O no hydrogen 2.904 N/A LYS 175.A N SER 172.A O no hydrogen 3.236 N/A VAL 178.A N TYR 205.A O no hydrogen 2.921 N/A LYS 181.A N SER 202.A O no hydrogen 2.961 N/A TRP 183.A N HIS 200.A O no hydrogen 2.908 N/A SER 185.A N VAL 198.A O no hydrogen 3.046 N/A SER 185.A OG HIS 200.A NE2 no hydrogen 2.773 N/A GLY 187.A N LEU 196.A O no hydrogen 2.933 N/A LEU 195.A N VAL 244.A O no hydrogen 2.906 N/A LEU 197.A N LEU 242.A O no hydrogen 2.878 N/A VAL 198.A N SER 185.A O no hydrogen 3.115 N/A CYS 199.A N ALA 240.A O no hydrogen 2.819 N/A HIS 200.A N TRP 183.A O no hydrogen 2.779 N/A HIS 200.A ND1 TYR 237.A OH no hydrogen 2.950 N/A HIS 200.A NE2 SER 185.A OG no hydrogen 2.773 N/A VAL 201.A N LEU 238.A O no hydrogen 2.828 N/A SER 202.A N LYS 181.A O no hydrogen 3.145 N/A GLY 203.A N TRP 236.A O no hydrogen 2.849 N/A TYR 205.A N VAL 178.A O no hydrogen 3.311 N/A TYR 205.A OH GLU 173.A O no hydrogen 2.956 N/A LYS 207.A N GLU 27.A OE1 no hydrogen 3.092 N/A LYS 207.A N GLU 27.A OE2 no hydrogen 3.301 N/A TRP 210.A N LYS 257.A O no hydrogen 3.013 N/A LYS 212.A N ARG 255.A O no hydrogen 3.073 N/A TRP 213.A NE1 ALA 240.A O no hydrogen 3.338 N/A MET 214.A N SER 253.A O no hydrogen 2.668 N/A ARG 215.A N GLN 218.A O no hydrogen 3.130 N/A ARG 215.A NH1 GLU 248.A O no hydrogen 3.385 N/A ARG 215.A NH2 GLU 248.A O no hydrogen 3.140 N/A GLN 220.A N TRP 213.A O no hydrogen 2.953 N/A THR 223.A OG1 GLN 220.A O no hydrogen 2.678 N/A GLN 224.A N THR 241.A O no hydrogen 2.777 N/A LEU 229.A N TYR 237.A O no hydrogen 2.964 N/A ASN 231.A N THR 235.A O no hydrogen 3.225 N/A ASN 231.A ND2 THR 235.A OG1 no hydrogen 3.140 N/A ASN 231.A ND2 TRP 236.A O no hydrogen 3.216 N/A THR 235.A N ASP 233.A O no hydrogen 2.652 N/A THR 235.A OG1 ASP 233.A O no hydrogen 3.370 N/A THR 235.A OG1 ASP 233.A OD2 no hydrogen 2.417 N/A TRP 236.A NE1 GLU 27.A OE1 no hydrogen 2.840 N/A TYR 237.A N LEU 229.A O no hydrogen 2.728 N/A TYR 237.A OH HIS 200.A ND1 no hydrogen 2.950 N/A LEU 238.A N VAL 201.A O no hydrogen 2.737 N/A ALA 240.A N CYS 199.A O no hydrogen 2.986 N/A THR 241.A N GLN 224.A O no hydrogen 2.931 N/A THR 241.A OG1 GLN 224.A O no hydrogen 3.064 N/A LEU 242.A N LEU 197.A O no hydrogen 3.000 N/A VAL 244.A N LEU 195.A O no hydrogen 3.279 N/A ALA 246.A N GLY 193.A O no hydrogen 3.109 N/A GLU 248.A N VAL 245.A O no hydrogen 2.752 N/A SER 253.A N MET 214.A O no hydrogen 2.939 N/A CYS 254.A N LEU 268.A O no hydrogen 3.094 N/A ARG 255.A N LYS 212.A O no hydrogen 3.147 N/A VAL 256.A N ILE 266.A O no hydrogen 3.126 N/A LYS 257.A N TRP 210.A O no hydrogen 2.702 N/A HIS 258.A ND1 SER 260.A OG no hydrogen 2.626 N/A HIS 258.A NE2 PRO 206.A O no hydrogen 2.880 N/A SER 259.A OG GLN 177.A OE1 no hydrogen 2.734 N/A SER 260.A OG VAL 178.A O no hydrogen 3.535 N/A SER 260.A OG HIS 258.A ND1 no hydrogen 2.626 N/A GLY 263.A N LEU 261.A O no hydrogen 2.676 N/A ILE 266.A N VAL 256.A O no hydrogen 3.286 N/A LEU 268.A N CYS 254.A O no hydrogen 3.485 N/A TRP 270.A N LEU 252.A O no hydrogen 2.956 N/A