Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qe6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 2.A OG no hydrogen 3.286 N/A GLU 5.A N SER 2.A O no hydrogen 2.991 N/A GLY 7.A N GLN 127.A OE1 no hydrogen 3.050 N/A ASN 8.A N GLU 5.A O no hydrogen 3.334 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.644 N/A TYR 9.A OH GLU 120.A OE1 no hydrogen 3.076 N/A ARG 10.A N GLY 7.A O no hydrogen 2.987 N/A ARG 10.A NH2 GLU 120.A OE1 no hydrogen 3.500 N/A VAL 13.A N TYR 9.A O no hydrogen 3.329 N/A GLN 14.A N ARG 10.A O no hydrogen 2.988 N/A GLN 14.A NE2 ASP 18.A OD1 no hydrogen 3.465 N/A GLN 14.A NE2 ASP 18.A OD2 no hydrogen 3.545 N/A ARG 15.A N ARG 11.A O no hydrogen 3.252 N/A ARG 15.A N THR 12.A O no hydrogen 3.186 N/A VAL 16.A N VAL 13.A O no hydrogen 2.778 N/A ASP 18.A N GLN 14.A O no hydrogen 2.848 N/A GLY 19.A N ARG 15.A O no hydrogen 3.093 N/A GLY 19.A N VAL 16.A O no hydrogen 2.945 N/A HIS 20.A N VAL 16.A O no hydrogen 3.455 N/A ARG 21.A N GLU 17.A O no hydrogen 3.143 N/A ARG 21.A NH2 ASP 25.A OD2 no hydrogen 3.509 N/A LEU 22.A N ASP 18.A O no hydrogen 3.008 N/A CYS 23.A N GLY 19.A O no hydrogen 3.194 N/A CYS 23.A N HIS 20.A O no hydrogen 3.134 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.533 N/A GLY 24.A N HIS 20.A O no hydrogen 3.364 N/A ASP 25.A N ARG 21.A O no hydrogen 2.814 N/A LEU 26.A N LEU 22.A O no hydrogen 2.997 N/A VAL 27.A N CYS 23.A O no hydrogen 3.054 N/A SER 28.A N GLY 24.A O no hydrogen 2.788 N/A CYS 29.A N ASP 25.A O no hydrogen 2.796 N/A PHE 30.A N LEU 26.A O no hydrogen 3.213 N/A GLN 31.A N VAL 27.A O no hydrogen 2.992 N/A GLU 32.A N SER 28.A O no hydrogen 2.946 N/A ARG 33.A N CYS 29.A O no hydrogen 3.094 N/A ARG 33.A NE GLU 37.A OE2 no hydrogen 3.464 N/A ALA 34.A N PHE 30.A O no hydrogen 2.959 N/A ARG 35.A N GLN 31.A O no hydrogen 2.892 N/A ILE 36.A N GLU 32.A O no hydrogen 3.090 N/A GLU 37.A N ARG 33.A O no hydrogen 3.018 N/A LYS 38.A N ALA 34.A O no hydrogen 2.895 N/A ALA 39.A N ARG 35.A O no hydrogen 2.886 N/A TYR 40.A N ILE 36.A O no hydrogen 3.135 N/A ALA 41.A N GLU 37.A O no hydrogen 3.126 N/A GLN 42.A N LYS 38.A O no hydrogen 2.788 N/A GLN 43.A N ALA 39.A O no hydrogen 3.006 N/A LEU 44.A N TYR 40.A O no hydrogen 2.818 N/A ALA 45.A N ALA 41.A O no hydrogen 3.135 N/A ASP 46.A N GLN 42.A O no hydrogen 2.964 N/A TRP 47.A N GLN 43.A O no hydrogen 2.989 N/A ALA 48.A N LEU 44.A O no hydrogen 2.938 N/A ARG 49.A N ALA 45.A O no hydrogen 3.064 N/A LYS 50.A N ASP 46.A O no hydrogen 2.753 N/A TRP 51.A N TRP 47.A O no hydrogen 3.059 N/A ARG 52.A N ALA 48.A O no hydrogen 3.008 N/A GLY 53.A N ARG 49.A O no hydrogen 3.281 N/A ALA 54.A N LYS 50.A O no hydrogen 2.839 N/A VAL 55.A N TRP 51.A O no hydrogen 2.797 N/A GLU 56.A N ARG 52.A O no hydrogen 3.012 N/A LYS 57.A N GLY 53.A O no hydrogen 3.222 N/A GLY 58.A N VAL 55.A O no hydrogen 3.062 N/A GLN 60.A NE2 TYR 61.A O no hydrogen 3.082 N/A THR 63.A N ASP 260.A OD1 no hydrogen 3.019 N/A THR 63.A OG1 ASP 260.A OD1 no hydrogen 2.853 N/A THR 63.A OG1 ASP 260.A OD2 no hydrogen 3.364 N/A LEU 64.A N ASP 260.A OD2 no hydrogen 2.986 N/A GLU 65.A N TYR 61.A O no hydrogen 3.358 N/A LYS 66.A N GLY 62.A O no hydrogen 3.284 N/A ALA 67.A N THR 63.A O no hydrogen 2.901 N/A TRP 68.A N LEU 64.A O no hydrogen 3.016 N/A HIS 69.A N GLU 65.A O no hydrogen 2.955 N/A HIS 69.A NE2 ARG 52.A O no hydrogen 3.310 N/A ALA 70.A N LYS 66.A O no hydrogen 2.980 N/A ALA 70.A N ALA 67.A O no hydrogen 3.011 N/A PHE 71.A N TRP 68.A O no hydrogen 3.163 N/A PHE 72.A N HIS 69.A O no hydrogen 2.897 N/A THR 73.A N HIS 69.A O no hydrogen 3.346 N/A THR 73.A OG1 HIS 69.A O no hydrogen 3.562 N/A ALA 74.A N ALA 70.A O no hydrogen 3.084 N/A ALA 75.A N PHE 71.A O no hydrogen 2.894 N/A GLU 76.A N PHE 72.A O no hydrogen 2.686 N/A ARG 77.A N THR 73.A O no hydrogen 2.738 N/A LEU 78.A N ALA 74.A O no hydrogen 2.863 N/A SER 79.A N ALA 75.A O no hydrogen 2.897 N/A SER 79.A OG ALA 41.A O no hydrogen 2.787 N/A GLU 80.A N GLU 76.A O no hydrogen 2.999 N/A LEU 81.A N ARG 77.A O no hydrogen 3.208 N/A HIS 82.A N LEU 78.A O no hydrogen 3.010 N/A HIS 82.A ND1 GLU 37.A OE1 no hydrogen 2.446 N/A LEU 83.A N SER 79.A O no hydrogen 2.990 N/A GLU 84.A N GLU 80.A O no hydrogen 3.029 N/A VAL 85.A N LEU 81.A O no hydrogen 3.107 N/A ARG 86.A N HIS 82.A O no hydrogen 3.002 N/A ARG 86.A NH1 GLU 87.A OE1 no hydrogen 3.506 N/A GLU 87.A N LEU 83.A O no hydrogen 2.801 N/A LYS 88.A N GLU 84.A O no hydrogen 2.804 N/A LYS 88.A NZ GLU 84.A OE2 no hydrogen 3.140 N/A LEU 89.A N VAL 85.A O no hydrogen 2.939 N/A HIS 90.A N ARG 86.A O no hydrogen 3.214 N/A HIS 90.A N GLU 87.A O no hydrogen 3.311 N/A GLY 91.A N GLU 87.A O no hydrogen 2.648 N/A GLY 91.A N LYS 88.A O no hydrogen 3.195 N/A ASP 93.A N LYS 88.A O no hydrogen 3.177 N/A SER 94.A N LEU 89.A O no hydrogen 3.111 N/A SER 94.A OG GLN 31.A OE1 no hydrogen 2.944 N/A SER 94.A OG LEU 89.A O no hydrogen 2.567 N/A GLU 95.A N GLY 91.A O no hydrogen 3.057 N/A ARG 96.A N PRO 92.A O no hydrogen 2.617 N/A VAL 97.A N ASP 93.A O no hydrogen 3.149 N/A ARG 98.A N SER 94.A O no hydrogen 2.864 N/A ARG 98.A NH1 GLN 101.A OE1 no hydrogen 3.149 N/A THR 99.A N GLU 95.A O no hydrogen 2.708 N/A GLN 101.A N VAL 97.A O no hydrogen 2.775 N/A GLN 101.A NE2 HIS 20.A O no hydrogen 2.736 N/A ARG 102.A N ARG 98.A O no hydrogen 3.002 N/A GLY 103.A N THR 99.A O no hydrogen 3.138 N/A HIS 106.A N GLU 115.A OE2 no hydrogen 2.654 N/A HIS 106.A ND1 GLU 115.A OE2 no hydrogen 3.280 N/A ARG 114.A N HIS 106.A O no hydrogen 2.994 N/A ARG 117.A N PHE 113.A O no hydrogen 3.120 N/A ARG 117.A NH2 GLY 111.A O no hydrogen 3.017 N/A ALA 118.A N ARG 114.A O no hydrogen 2.990 N/A ALA 119.A N GLU 115.A O no hydrogen 3.183 N/A GLU 120.A N SER 116.A O no hydrogen 2.833 N/A ASP 121.A N ARG 117.A O no hydrogen 2.591 N/A GLY 122.A N ALA 118.A O no hydrogen 3.137 N/A PHE 123.A N ALA 119.A O no hydrogen 3.373 N/A ARG 124.A N GLU 120.A O no hydrogen 3.139 N/A ARG 124.A NE GLU 120.A OE1 no hydrogen 3.052 N/A ARG 124.A NH2 GLU 120.A OE1 no hydrogen 2.828 N/A LYS 125.A N ASP 121.A O no hydrogen 2.958 N/A ALA 126.A N GLY 122.A O no hydrogen 3.155 N/A GLN 127.A N PHE 123.A O no hydrogen 2.870 N/A GLN 127.A N ARG 124.A O no hydrogen 3.129 N/A GLN 127.A NE2 TYR 200.A OH no hydrogen 3.529 N/A LYS 128.A N ARG 124.A O no hydrogen 2.809 N/A LEU 131.A N GLN 127.A O no hydrogen 2.980 N/A LYS 132.A N LYS 128.A O no hydrogen 2.946 N/A ARG 133.A N PRO 129.A O no hydrogen 3.185 N/A ARG 133.A NH1 GLU 192.A OE2 no hydrogen 3.194 N/A LEU 134.A N TRP 130.A O no hydrogen 2.852 N/A LYS 135.A N LEU 131.A O no hydrogen 2.670 N/A LYS 135.A N LYS 132.A O no hydrogen 3.077 N/A GLU 136.A N LYS 132.A O no hydrogen 3.114 N/A VAL 137.A N ARG 133.A O no hydrogen 3.047 N/A GLU 138.A N LEU 134.A O no hydrogen 2.992 N/A ALA 139.A N LYS 135.A O no hydrogen 3.170 N/A SER 140.A N GLU 136.A O no hydrogen 3.013 N/A SER 140.A OG VAL 137.A O no hydrogen 3.056 N/A SER 140.A OG THR 189.A OG1 no hydrogen 3.039 N/A LYS 141.A N VAL 137.A O no hydrogen 2.870 N/A LYS 142.A N GLU 138.A O no hydrogen 3.155 N/A SER 143.A N ALA 139.A O no hydrogen 3.129 N/A TYR 144.A N SER 140.A O no hydrogen 2.958 N/A HIS 145.A N LYS 141.A O no hydrogen 2.847 N/A THR 146.A N LYS 142.A O no hydrogen 2.840 N/A THR 146.A N SER 143.A O no hydrogen 3.300 N/A THR 146.A OG1 SER 143.A O no hydrogen 2.431 N/A ALA 147.A N SER 143.A O no hydrogen 3.157 N/A ARG 148.A N TYR 144.A O no hydrogen 3.278 N/A LYS 149.A N ALA 147.A O no hydrogen 2.473 N/A ASP 150.A N ALA 147.A O no hydrogen 3.277 N/A THR 153.A N ASP 150.A O no hydrogen 3.078 N/A THR 153.A OG1 ASP 150.A O no hydrogen 2.307 N/A ALA 154.A N GLU 151.A O no hydrogen 2.915 N/A THR 156.A N THR 153.A O no hydrogen 2.740 N/A SER 159.A N THR 156.A O no hydrogen 2.473 N/A SER 159.A OG THR 156.A O no hydrogen 3.118 N/A CYS 175.A N ARG 171.A O no hydrogen 3.236 N/A THR 176.A N VAL 172.A O no hydrogen 3.097 N/A THR 176.A OG1 ASP 150.A OD1 no hydrogen 2.840 N/A THR 176.A OG1 VAL 172.A O no hydrogen 3.539 N/A LYS 177.A N GLY 173.A O no hydrogen 2.805 N/A GLU 178.A N CYS 175.A O no hydrogen 3.240 N/A ALA 179.A N CYS 175.A O no hydrogen 3.099 N/A GLU 180.A N THR 176.A O no hydrogen 3.133 N/A LYS 181.A N LYS 177.A O no hydrogen 3.301 N/A MET 182.A N GLU 178.A O no hydrogen 2.685 N/A LYS 183.A N ALA 179.A O no hydrogen 2.853 N/A THR 184.A N GLU 180.A O no hydrogen 3.514 N/A THR 184.A OG1 LYS 181.A O no hydrogen 3.354 N/A GLN 185.A N LYS 181.A O no hydrogen 3.409 N/A TYR 186.A N MET 182.A O no hydrogen 3.123 N/A GLU 187.A N LYS 183.A O no hydrogen 2.724 N/A GLN 188.A N THR 184.A O no hydrogen 2.740 N/A THR 189.A N GLN 185.A O no hydrogen 2.839 N/A THR 189.A OG1 SER 140.A OG no hydrogen 3.039 N/A THR 189.A OG1 TYR 186.A O no hydrogen 2.776 N/A LEU 190.A N TYR 186.A O no hydrogen 2.871 N/A ALA 191.A N GLU 187.A O no hydrogen 2.791 N/A GLU 192.A N GLN 188.A O no hydrogen 2.829 N/A LEU 193.A N THR 189.A O no hydrogen 2.956 N/A ASN 194.A N LEU 190.A O no hydrogen 3.148 N/A ARG 195.A N ALA 191.A O no hydrogen 3.058 N/A ARG 195.A NH1 GLU 192.A OE2 no hydrogen 2.978 N/A TYR 196.A N LEU 193.A O no hydrogen 3.033 N/A THR 197.A N ASN 194.A O no hydrogen 3.145 N/A ARG 199.A NE ASP 203.A OD2 no hydrogen 3.020 N/A TYR 200.A OH TRP 4.A O no hydrogen 2.933 N/A MET 201.A N THR 197.A O no hydrogen 3.110 N/A MET 201.A N ARG 199.A O no hydrogen 2.485 N/A GLU 202.A N PRO 198.A O no hydrogen 3.026 N/A MET 204.A N TYR 200.A O no hydrogen 2.720 N/A GLU 205.A N MET 201.A O no hydrogen 2.993 N/A GLN 206.A N GLU 202.A O no hydrogen 2.848 N/A ALA 207.A N ASP 203.A O no hydrogen 3.004 N/A PHE 208.A N MET 204.A O no hydrogen 2.818 N/A GLU 209.A N GLU 205.A O no hydrogen 2.783 N/A SER 210.A N GLN 206.A O no hydrogen 3.134 N/A CYS 211.A N ALA 207.A O no hydrogen 3.261 N/A CYS 211.A SG ALA 207.A O no hydrogen 3.821 N/A GLN 212.A N PHE 208.A O no hydrogen 2.923 N/A ALA 213.A N GLU 209.A O no hydrogen 2.906 N/A ALA 214.A N SER 210.A O no hydrogen 3.383 N/A GLU 215.A N CYS 211.A O no hydrogen 3.035 N/A ARG 216.A N GLN 212.A O no hydrogen 2.717 N/A GLN 217.A N ALA 213.A O no hydrogen 3.168 N/A ARG 218.A N ALA 214.A O no hydrogen 3.169 N/A ARG 218.A NH2 GLU 215.A OE1 no hydrogen 2.499 N/A LEU 219.A N GLU 215.A O no hydrogen 2.771 N/A LEU 220.A N ARG 216.A O no hydrogen 3.038 N/A PHE 221.A N GLN 217.A O no hydrogen 2.900 N/A PHE 222.A N ARG 218.A O no hydrogen 2.922 N/A LYS 223.A N LEU 219.A O no hydrogen 2.884 N/A ASP 224.A N LEU 220.A O no hydrogen 3.227 N/A VAL 225.A N PHE 221.A O no hydrogen 2.966 N/A LEU 226.A N PHE 222.A O no hydrogen 2.954 N/A LEU 227.A N LYS 223.A O no hydrogen 3.194 N/A THR 228.A N ASP 224.A O no hydrogen 3.057 N/A THR 228.A OG1 ASP 224.A O no hydrogen 3.023 N/A LEU 229.A N VAL 225.A O no hydrogen 2.949 N/A HIS 230.A N LEU 226.A O no hydrogen 2.923 N/A GLN 231.A N LEU 227.A O no hydrogen 3.098 N/A HIS 232.A N THR 228.A O no hydrogen 2.827 N/A HIS 232.A ND1 ASP 93.A OD2 no hydrogen 2.581 N/A LEU 233.A N HIS 230.A O no hydrogen 2.753 N/A ASP 234.A N GLN 231.A O no hydrogen 3.435 N/A LEU 235.A N LEU 233.A O no hydrogen 2.987 N/A SER 236.A OG ASP 234.A OD1 no hydrogen 2.629 N/A SER 237.A N ASP 234.A O no hydrogen 3.054 N/A SER 237.A OG ASP 234.A OD2 no hydrogen 2.808 N/A SER 238.A N LEU 235.A O no hydrogen 2.741 N/A LYS 240.A N SER 238.A OG no hydrogen 3.130 N/A PHE 241.A N SER 238.A OG no hydrogen 2.986 N/A HIS 242.A NE2 SER 236.A O no hydrogen 3.045 N/A GLU 243.A N ASP 239.A O no hydrogen 3.252 N/A LEU 244.A N LYS 240.A O no hydrogen 3.001 N/A ARG 246.A N HIS 242.A O no hydrogen 3.091 N/A ASP 247.A N GLU 243.A O no hydrogen 3.112 N/A LEU 248.A N LEU 244.A O no hydrogen 3.135 N/A GLN 249.A N HIS 245.A O no hydrogen 2.808 N/A GLN 250.A N ARG 246.A O no hydrogen 3.112 N/A SER 251.A N ASP 247.A O no hydrogen 3.158 N/A ILE 252.A N LEU 248.A O no hydrogen 3.047 N/A GLU 253.A N GLN 249.A O no hydrogen 2.865 N/A ALA 255.A N ILE 252.A O no hydrogen 3.175 N/A SER 256.A N THR 63.A OG1 no hydrogen 2.823 N/A GLU 259.A N SER 256.A OG no hydrogen 3.184 N/A ASP 260.A N SER 256.A O no hydrogen 3.197 N/A LEU 261.A N ASP 257.A O no hydrogen 2.726 N/A ARG 262.A N GLU 258.A O no hydrogen 2.876 N/A TRP 263.A N GLU 259.A O no hydrogen 3.182 N/A TRP 264.A N ASP 260.A O no hydrogen 3.136 N/A ARG 265.A N LEU 261.A O no hydrogen 3.057 N/A SER 266.A N ARG 262.A O no hydrogen 3.141 N/A SER 266.A N TRP 263.A O no hydrogen 3.157 N/A SER 266.A OG TRP 263.A O no hydrogen 3.349 N/A THR 267.A N TRP 263.A O no hydrogen 2.860 N/A THR 267.A N TRP 264.A O no hydrogen 3.100 N/A HIS 268.A N TRP 264.A O no hydrogen 2.643 N/A GLY 269.A N ARG 265.A O no hydrogen 3.100 N/A GLY 271.A N ARG 265.A O no hydrogen 3.103 N/A