Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kxk_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N SER 66.A OG no hydrogen 2.933 N/A ASN 6.A ND2 LEU 32.A O no hydrogen 2.971 N/A LEU 8.A N ASN 6.A OD1 no hydrogen 3.245 N/A ARG 9.A N ASN 6.A O no hydrogen 3.374 N/A ARG 9.A NH1 ARG 9.A O no hydrogen 3.432 N/A HIS 11.A N LEU 8.A O no hydrogen 3.197 N/A GLU 17.A N GLN 13.A O no hydrogen 3.257 N/A GLY 18.A N PRO 14.A O no hydrogen 3.047 N/A LEU 19.A N PHE 15.A O no hydrogen 3.180 N/A ARG 20.A N GLU 16.A O no hydrogen 3.480 N/A ARG 21.A N GLU 17.A O no hydrogen 3.113 N/A LEU 22.A N GLY 18.A O no hydrogen 3.010 N/A GLN 23.A N LEU 19.A O no hydrogen 2.755 N/A GLU 24.A N ARG 20.A O no hydrogen 2.800 N/A GLY 25.A N LEU 22.A O no hydrogen 2.869 N/A ASP 26.A N ARG 21.A O no hydrogen 2.755 N/A ASN 29.A ND2 ASP 26.A OD1 no hydrogen 3.277 N/A ALA 30.A N ASP 26.A O no hydrogen 3.300 N/A VAL 31.A N LEU 27.A O no hydrogen 3.187 N/A LEU 32.A N PRO 28.A O no hydrogen 3.319 N/A LEU 33.A N ASN 29.A O no hydrogen 2.964 N/A PHE 34.A N ALA 30.A O no hydrogen 2.891 N/A GLU 35.A N VAL 31.A O no hydrogen 2.777 N/A ALA 36.A N LEU 32.A O no hydrogen 2.752 N/A ALA 37.A N LEU 33.A O no hydrogen 2.816 N/A VAL 38.A N PHE 34.A O no hydrogen 3.160 N/A GLN 39.A N GLU 35.A O no hydrogen 3.135 N/A GLN 39.A NE2 GLU 35.A O no hydrogen 3.398 N/A GLN 40.A N ALA 36.A O no hydrogen 2.982 N/A ASP 41.A N ALA 37.A O no hydrogen 2.836 N/A HIS 44.A N ASP 41.A O no hydrogen 3.059 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.712 N/A ALA 47.A N HIS 44.A O no hydrogen 2.971 N/A TRP 48.A N HIS 44.A O no hydrogen 3.150 N/A TRP 48.A NE1 PRO 42.A O no hydrogen 3.104 N/A GLN 49.A N MET 45.A O no hydrogen 3.194 N/A TYR 50.A N GLU 46.A O no hydrogen 3.299 N/A LEU 51.A N ALA 47.A O no hydrogen 3.058 N/A GLY 52.A N TRP 48.A O no hydrogen 2.776 N/A THR 53.A N GLN 49.A O no hydrogen 3.105 N/A THR 53.A OG1 GLN 49.A O no hydrogen 3.393 N/A THR 53.A OG1 TYR 50.A O no hydrogen 3.364 N/A THR 54.A N TYR 50.A O no hydrogen 2.925 N/A THR 54.A OG1 TYR 50.A O no hydrogen 2.534 N/A GLN 55.A N LEU 51.A O no hydrogen 2.996 N/A ALA 56.A N GLY 52.A O no hydrogen 3.023 N/A GLU 57.A N THR 53.A O no hydrogen 2.962 N/A ASN 58.A N THR 54.A O no hydrogen 2.763 N/A ASN 58.A ND2 GLN 55.A OE1 no hydrogen 2.993 N/A GLU 59.A N ALA 56.A O no hydrogen 2.904 N/A GLN 60.A N GLN 55.A O no hydrogen 2.842 N/A ALA 64.A N GLN 60.A O no hydrogen 2.961 N/A ILE 65.A N GLU 61.A O no hydrogen 3.067 N/A SER 66.A N LEU 62.A O no hydrogen 3.025 N/A ALA 67.A N LEU 63.A O no hydrogen 3.132 N/A LEU 68.A N ALA 64.A O no hydrogen 3.006 N/A ARG 69.A N ILE 65.A O no hydrogen 2.922 N/A ARG 70.A N SER 66.A O no hydrogen 3.133 N/A ARG 70.A NH1.A GLU 73.A OE1 no hydrogen 3.237 N/A CYS 71.A N ALA 67.A O no hydrogen 3.090 N/A CYS 71.A SG MET 45.A O no hydrogen 3.788 N/A LEU 72.A N LEU 68.A O no hydrogen 2.924 N/A GLU 73.A N ARG 69.A O no hydrogen 2.913 N/A LEU 74.A N ARG 70.A O no hydrogen 3.381 N/A LYS 75.A N CYS 71.A O no hydrogen 2.923 N/A LYS 75.A NZ ASP 77.A OD2 no hydrogen 3.191 N/A ASN 78.A N LYS 75.A O no hydrogen 2.896 N/A ASN 78.A ND2 GLN 49.A OE1 no hydrogen 3.250 N/A GLN 79.A NE2 TYR 108.A O no hydrogen 2.885 N/A ALA 81.A N ASN 78.A OD1 no hydrogen 3.195 N/A LEU 82.A N ASN 78.A O no hydrogen 2.989 N/A MET 83.A N GLN 79.A O no hydrogen 3.113 N/A ALA 84.A N THR 80.A O no hydrogen 2.987 N/A LEU 85.A N ALA 81.A O no hydrogen 2.814 N/A ALA 86.A N LEU 82.A O no hydrogen 2.897 N/A VAL 87.A N MET 83.A O no hydrogen 3.057 N/A SER 88.A N ALA 84.A O no hydrogen 3.209 N/A SER 88.A OG GLU 61.A OE2 no hydrogen 2.688 N/A PHE 89.A N LEU 85.A O no hydrogen 2.987 N/A THR 90.A N ALA 86.A O no hydrogen 2.922 N/A THR 90.A OG1 ALA 86.A O no hydrogen 2.493 N/A ASN 91.A N VAL 87.A O no hydrogen 3.022 N/A ASN 91.A ND2 GLU 61.A OE1 no hydrogen 3.097 N/A GLU 92.A N SER 88.A O no hydrogen 2.900 N/A GLU 92.A N PHE 89.A O no hydrogen 2.935 N/A SER 93.A N THR 90.A O no hydrogen 3.225 N/A LEU 94.A N PHE 89.A O no hydrogen 3.123 N/A GLN 95.A NE2 SER 93.A O no hydrogen 3.253 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.578 N/A ALA 98.A N LEU 94.A O no hydrogen 3.154 N/A CYS 99.A SG GLN 95.A O no hydrogen 3.567 N/A GLU 100.A N ARG 96.A O no hydrogen 3.226 N/A THR 101.A N GLN 97.A O no hydrogen 3.031 N/A THR 101.A OG1 GLN 97.A O no hydrogen 2.914 N/A LEU 102.A N ALA 98.A O no hydrogen 2.717 N/A ARG 103.A N CYS 99.A O no hydrogen 2.645 N/A ASP 104.A N GLU 100.A O no hydrogen 3.019 N/A TRP 105.A N THR 101.A O no hydrogen 3.190 N/A LEU 106.A N LEU 102.A O no hydrogen 3.373 N/A LEU 106.A N ARG 103.A O no hydrogen 3.092 N/A ARG 107.A N ARG 103.A O no hydrogen 3.008 N/A ARG 107.A NH1 ASP 104.A OD1 no hydrogen 3.143 N/A TYR 108.A N ASP 104.A O no hydrogen 2.975 N/A THR 109.A OG1 TRP 105.A O no hydrogen 2.591 N/A TYR 112.A N THR 109.A O no hydrogen 2.828 N/A TYR 112.A OH ASP 139.A OD2 no hydrogen 2.799 N/A LEU 115.A N TYR 112.A O no hydrogen 2.924 N/A VAL 116.A N ALA 113.A O no hydrogen 3.497 N/A GLU 122.A N SER 118.A O no hydrogen 3.163 N/A GLU 122.A N LEU 119.A O no hydrogen 3.191 N/A VAL 123.A N LEU 119.A O no hydrogen 3.284 N/A LYS 124.A N PHE 120.A O no hydrogen 3.112 N/A GLU 125.A N LEU 121.A O no hydrogen 3.134 N/A LEU 126.A N GLU 122.A O no hydrogen 2.982 N/A PHE 127.A N VAL 123.A O no hydrogen 2.918 N/A LEU 128.A N LYS 124.A O no hydrogen 2.876 N/A ALA 129.A N GLU 125.A O no hydrogen 3.113 N/A ALA 130.A N LEU 126.A O no hydrogen 2.985 N/A VAL 131.A N PHE 127.A O no hydrogen 3.086 N/A ARG 132.A N ALA 129.A O no hydrogen 3.165 N/A LEU 133.A N ALA 130.A O no hydrogen 3.037 N/A THR 136.A N ASP 134.A OD1 no hydrogen 3.188 N/A THR 136.A OG1 ASP 134.A OD1 no hydrogen 2.397 N/A THR 136.A OG1 ASP 134.A OD2 no hydrogen 3.384 N/A SER 137.A OG ASP 134.A OD2 no hydrogen 3.167 N/A ASP 141.A N ASP 139.A OD1 no hydrogen 3.135 N/A GLN 143.A N ASP 139.A O no hydrogen 2.979 N/A CYS 144.A N ASP 141.A O no hydrogen 3.083 N/A GLY 145.A N ASP 141.A O no hydrogen 3.170 N/A LEU 146.A N VAL 142.A O no hydrogen 2.999 N/A GLY 147.A N GLN 143.A O no hydrogen 3.128 N/A VAL 148.A N CYS 144.A O no hydrogen 2.896 N/A LEU 149.A N GLY 145.A O no hydrogen 2.823 N/A PHE 150.A N LEU 146.A O no hydrogen 2.919 N/A ASN 151.A N VAL 148.A O no hydrogen 3.226 N/A ASN 151.A ND2 GLY 147.A O no hydrogen 2.979 N/A ASN 151.A ND2 THR 183.A OG1 no hydrogen 2.878 N/A LEU 152.A N VAL 148.A O no hydrogen 3.304 N/A LEU 152.A N LEU 149.A O no hydrogen 2.813 N/A SER 153.A N LEU 149.A O no hydrogen 3.226 N/A SER 153.A OG GLU 155.A OE1 no hydrogen 2.657 N/A LYS 158.A N GLU 155.A O no hydrogen 2.855 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 3.178 N/A ALA 159.A N GLU 155.A O no hydrogen 3.142 N/A VAL 160.A N TYR 156.A O no hydrogen 2.804 N/A CYS 162.A N LYS 158.A O no hydrogen 3.240 N/A CYS 162.A SG GLN 143.A OE1 no hydrogen 3.608 N/A CYS 162.A SG LYS 158.A O no hydrogen 3.481 N/A PHE 163.A N ALA 159.A O no hydrogen 3.138 N/A THR 164.A N VAL 160.A O no hydrogen 3.211 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.608 N/A ALA 165.A N ASP 161.A O no hydrogen 2.784 N/A ALA 166.A N CYS 162.A O no hydrogen 2.781 N/A LEU 167.A N PHE 163.A O no hydrogen 2.694 N/A SER 168.A N THR 164.A O no hydrogen 3.164 N/A SER 168.A N ALA 165.A O no hydrogen 3.228 N/A SER 168.A OG ALA 165.A O no hydrogen 2.630 N/A VAL 169.A N ALA 166.A O no hydrogen 3.190 N/A ARG 170.A N ALA 166.A O no hydrogen 3.182 N/A ASP 173.A N ARG 170.A O no hydrogen 3.374 N/A LEU 175.A N ASP 173.A OD1 no hydrogen 2.882 N/A TRP 177.A N ASP 173.A O no hydrogen 3.238 N/A TRP 177.A NE1 PRO 171.A O no hydrogen 3.033 N/A ASN 178.A N TYR 174.A O no hydrogen 3.184 N/A LYS 179.A N LEU 175.A O no hydrogen 2.813 N/A LEU 180.A N LEU 176.A O no hydrogen 2.879 N/A GLY 181.A N TRP 177.A O no hydrogen 2.915 N/A ALA 182.A N ASN 178.A O no hydrogen 2.758 N/A THR 183.A N LYS 179.A O no hydrogen 2.996 N/A THR 183.A OG1 LYS 179.A O no hydrogen 2.937 N/A LEU 184.A N LEU 180.A O no hydrogen 2.995 N/A ALA 185.A N GLY 181.A O no hydrogen 2.916 N/A ASN 186.A N ALA 182.A O no hydrogen 2.956 N/A GLY 187.A N LEU 184.A O no hydrogen 3.246 N/A ASN 188.A N ALA 185.A O no hydrogen 3.306 N/A GLN 189.A N LEU 184.A O no hydrogen 2.829 N/A ALA 193.A N GLN 189.A O no hydrogen 3.148 N/A VAL 194.A N SER 190.A O no hydrogen 3.003 N/A ALA 195.A N GLU 191.A O no hydrogen 3.477 N/A ALA 196.A N GLU 192.A O no hydrogen 3.190 N/A TYR 197.A N ALA 193.A O no hydrogen 2.971 N/A ARG 198.A N VAL 194.A O no hydrogen 2.840 N/A ARG 198.A NH2 GLU 226.A OE1 no hydrogen 3.418 N/A ARG 199.A N ALA 195.A O no hydrogen 3.136 N/A ALA 200.A N ALA 196.A O no hydrogen 3.040 N/A LEU 201.A N TYR 197.A O no hydrogen 2.754 N/A GLU 202.A N ARG 198.A O no hydrogen 2.909 N/A LEU 203.A N ARG 199.A O no hydrogen 3.268 N/A GLN 204.A N ALA 200.A O no hydrogen 3.004 N/A TYR 207.A N GLN 204.A O no hydrogen 3.063 N/A ARG 209.A N GLU 57.A O no hydrogen 2.962 N/A ARG 209.A NH1 GLU 59.A OE1 no hydrogen 3.448 N/A ARG 209.A NH1 GLU 59.A OE2 no hydrogen 2.808 N/A ARG 209.A NH1 GLU 61.A OE1 no hydrogen 3.244 N/A ARG 209.A NH2 GLU 61.A OE2 no hydrogen 2.731 N/A SER 210.A N TYR 207.A O no hydrogen 3.204 N/A SER 210.A OG ASN 178.A OD1 no hydrogen 2.893 N/A ARG 211.A N TYR 207.A O no hydrogen 3.318 N/A ARG 211.A NH1 GLU 233.A OE1 no hydrogen 2.679 N/A ARG 211.A NH2 PRO 205.A O no hydrogen 2.657 N/A TYR 212.A N ILE 208.A O no hydrogen 3.042 N/A TYR 212.A OH THR 255.A OG1 no hydrogen 3.000 N/A ASN 213.A N ARG 209.A O no hydrogen 2.965 N/A ASN 213.A ND2 ASN 178.A OD1 no hydrogen 3.145 N/A LEU 214.A N SER 210.A O no hydrogen 2.990 N/A GLY 215.A N ARG 211.A O no hydrogen 3.007 N/A ILE 216.A N TYR 212.A O no hydrogen 2.930 N/A SER 217.A N ASN 213.A O no hydrogen 3.025 N/A SER 217.A OG ASN 213.A O no hydrogen 2.952 N/A CYS 218.A N LEU 214.A O no hydrogen 2.883 N/A CYS 218.A SG LEU 214.A O no hydrogen 3.573 N/A CYS 218.A SG GLU 226.A OE1 no hydrogen 3.606 N/A ILE 219.A N GLY 215.A O no hydrogen 2.993 N/A ASN 220.A N ILE 216.A O no hydrogen 3.206 N/A LEU 221.A N SER 217.A O no hydrogen 3.258 N/A GLY 222.A N ILE 219.A O no hydrogen 2.989 N/A ALA 227.A N ALA 223.A O no hydrogen 3.033 N/A VAL 228.A N HIS 224.A O no hydrogen 2.935 N/A GLU 229.A N ARG 225.A O no hydrogen 2.930 N/A HIS 230.A N GLU 226.A O no hydrogen 2.947 N/A HIS 230.A ND1 GLU 233.A OE1 no hydrogen 3.126 N/A HIS 230.A NE2 GLU 226.A OE1 no hydrogen 2.866 N/A PHE 231.A N ALA 227.A O no hydrogen 2.944 N/A LEU 232.A N VAL 228.A O no hydrogen 3.004 N/A GLU 233.A N GLU 229.A O no hydrogen 2.781 N/A ALA 234.A N HIS 230.A O no hydrogen 2.997 N/A LEU 235.A N PHE 231.A O no hydrogen 2.958 N/A ASN 236.A N LEU 232.A O no hydrogen 3.092 N/A ASN 236.A ND2 GLN 288.A O no hydrogen 3.227 N/A MET 237.A N GLU 233.A O no hydrogen 2.972 N/A GLN 238.A N ALA 234.A O no hydrogen 3.158 N/A GLN 238.A NE2 ASN 58.A OD1 no hydrogen 2.891 N/A GLN 238.A NE2 SER 249.A OG no hydrogen 2.951 N/A ARG 239.A N LEU 235.A O no hydrogen 2.936 N/A ARG 239.A NH1 SER 278.A OG no hydrogen 2.693 N/A ARG 239.A NH2 SER 278.A OG no hydrogen 3.032 N/A LYS 240.A N MET 237.A O no hydrogen 3.379 N/A LYS 240.A NZ GLN 288.A O no hydrogen 3.440 N/A SER 241.A OG ASN 29.A OD1 no hydrogen 3.265 N/A SER 249.A N GLN 238.A OE1 no hydrogen 2.798 N/A SER 249.A OG ASN 58.A O no hydrogen 3.151 N/A SER 249.A OG GLU 59.A O no hydrogen 2.674 N/A ASN 251.A ND2 GLU 59.A OE2 no hydrogen 3.319 N/A TRP 253.A N SER 249.A O no hydrogen 3.430 N/A SER 254.A N GLU 250.A O no hydrogen 3.212 N/A THR 255.A N ASN 251.A O no hydrogen 3.196 N/A THR 255.A OG1 TYR 212.A OH no hydrogen 3.000 N/A THR 255.A OG1 ASN 251.A O no hydrogen 2.729 N/A LEU 256.A N ILE 252.A O no hydrogen 2.879 N/A ARG 257.A N TRP 253.A O no hydrogen 3.075 N/A ARG 257.A NE ASP 273.A OD1 no hydrogen 2.843 N/A ARG 257.A NH1 ARG 257.A O no hydrogen 3.006 N/A ARG 257.A NH1 SER 261.A OG no hydrogen 2.483 N/A LEU 258.A N SER 254.A O no hydrogen 3.139 N/A ALA 259.A N THR 255.A O no hydrogen 2.979 N/A LEU 260.A N LEU 256.A O no hydrogen 2.943 N/A SER 261.A OG ARG 257.A O no hydrogen 3.480 N/A MET 262.A N LEU 258.A O no hydrogen 3.093 N/A LEU 263.A N ALA 259.A O no hydrogen 3.179 N/A LEU 263.A N LEU 260.A O no hydrogen 3.036 N/A GLY 264.A N LEU 260.A O no hydrogen 2.767 N/A GLN 265.A N LEU 260.A O no hydrogen 3.245 N/A ALA 268.A N GLN 265.A O no hydrogen 3.013 N/A TYR 269.A N SER 266.A O no hydrogen 3.309 N/A ALA 272.A N ALA 268.A O no hydrogen 2.723 N/A ASP 273.A N TYR 269.A O no hydrogen 2.676 N/A ALA 274.A N GLY 270.A O no hydrogen 3.048 N/A ARG 275.A N ALA 272.A O no hydrogen 3.185 N/A ARG 275.A NH2 GLU 250.A OE2 no hydrogen 2.368 N/A ASP 276.A N ALA 271.A O no hydrogen 2.956 N/A THR 279.A OG1 ASP 276.A OD2 no hydrogen 2.639 N/A LEU 280.A N ASP 276.A O no hydrogen 3.449 N/A LEU 281.A N LEU 277.A O no hydrogen 2.938 N/A THR 282.A N SER 278.A O no hydrogen 3.265 N/A THR 282.A OG1 SER 278.A O no hydrogen 3.106 N/A MET 283.A N THR 279.A O no hydrogen 2.938 N/A PHE 284.A N LEU 280.A O no hydrogen 3.099 N/A GLY 285.A N THR 282.A O no hydrogen 3.089 N/A LEU 286.A N LEU 281.A O no hydrogen 3.139 N/A GLN 288.A NE2 SER 278.A O no hydrogen 3.151 N/A