Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 2.A OG no hydrogen 3.312 N/A GLU 5.A N SER 2.A O no hydrogen 2.823 N/A GLY 7.A N GLN 122.A OE1 no hydrogen 2.933 N/A ASN 8.A N GLU 5.A O no hydrogen 3.200 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.821 N/A TYR 9.A OH GLU 115.A OE2 no hydrogen 2.746 N/A ARG 10.A N GLY 7.A O no hydrogen 3.146 N/A THR 12.A N TYR 9.A O no hydrogen 2.833 N/A VAL 13.A N TYR 9.A O no hydrogen 3.185 N/A GLN 14.A N ARG 10.A O no hydrogen 2.701 N/A ARG 15.A N ARG 11.A O no hydrogen 3.171 N/A ARG 15.A NH1 GLN 211.A OE1 no hydrogen 3.007 N/A ARG 15.A NH2 GLN 211.A OE1 no hydrogen 2.692 N/A VAL 16.A N VAL 13.A O no hydrogen 3.112 N/A ASP 18.A N GLN 14.A O no hydrogen 3.015 N/A GLY 19.A N ARG 15.A O no hydrogen 3.019 N/A ARG 21.A N GLU 17.A O no hydrogen 3.165 N/A LEU 22.A N ASP 18.A O no hydrogen 2.658 N/A CYS 23.A N GLY 19.A O no hydrogen 3.246 N/A CYS 23.A N HIS 20.A O no hydrogen 3.218 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.428 N/A ASP 25.A N ARG 21.A O no hydrogen 3.145 N/A LEU 26.A N LEU 22.A O no hydrogen 3.105 N/A VAL 27.A N CYS 23.A O no hydrogen 3.076 N/A SER 28.A N GLY 24.A O no hydrogen 2.959 N/A SER 28.A OG GLY 24.A O no hydrogen 2.810 N/A CYS 29.A N ASP 25.A O no hydrogen 2.949 N/A PHE 30.A N LEU 26.A O no hydrogen 3.244 N/A GLN 31.A N VAL 27.A O no hydrogen 2.761 N/A GLU 32.A N SER 28.A O no hydrogen 2.922 N/A ARG 33.A N CYS 29.A O no hydrogen 3.126 N/A ARG 33.A NE GLU 37.A OE2 no hydrogen 3.075 N/A ARG 33.A NH2 GLU 37.A OE2 no hydrogen 3.303 N/A ALA 34.A N PHE 30.A O no hydrogen 2.966 N/A ARG 35.A N GLN 31.A O no hydrogen 3.257 N/A ILE 36.A N ARG 33.A O no hydrogen 3.107 N/A GLU 37.A N ARG 33.A O no hydrogen 3.206 N/A LYS 38.A N ALA 34.A O no hydrogen 2.994 N/A LYS 38.A NZ GLN 42.A OE1 no hydrogen 2.930 N/A ALA 39.A N ARG 35.A O no hydrogen 2.984 N/A TYR 40.A N ILE 36.A O no hydrogen 3.259 N/A ALA 41.A N GLU 37.A O no hydrogen 2.989 N/A GLN 42.A N LYS 38.A O no hydrogen 2.898 N/A GLN 43.A N ALA 39.A O no hydrogen 3.119 N/A LEU 44.A N TYR 40.A O no hydrogen 2.976 N/A ALA 45.A N ALA 41.A O no hydrogen 2.978 N/A ASP 46.A N GLN 42.A O no hydrogen 2.877 N/A TRP 47.A N GLN 43.A O no hydrogen 2.878 N/A ALA 48.A N LEU 44.A O no hydrogen 2.986 N/A ARG 49.A N ALA 45.A O no hydrogen 2.891 N/A ARG 49.A NH1 ASP 46.A OD1 no hydrogen 2.666 N/A ARG 49.A NH2 ASP 46.A OD1 no hydrogen 3.196 N/A LYS 50.A N ASP 46.A O no hydrogen 2.808 N/A TRP 51.A N TRP 47.A O no hydrogen 2.978 N/A ARG 52.A N ALA 48.A O no hydrogen 3.088 N/A ARG 52.A NH1 GLU 76.A OE2 no hydrogen 2.778 N/A ARG 52.A NH2 THR 73.A OG1 no hydrogen 3.168 N/A GLY 53.A N ARG 49.A O no hydrogen 3.368 N/A ALA 54.A N LYS 50.A O no hydrogen 3.120 N/A VAL 55.A N TRP 51.A O no hydrogen 2.749 N/A GLU 56.A N ARG 52.A O no hydrogen 2.959 N/A LYS 57.A N GLY 53.A O no hydrogen 3.081 N/A GLY 58.A N ALA 54.A O no hydrogen 2.873 N/A TYR 61.A N GLN 60.A OE1 no hydrogen 3.316 N/A THR 63.A N ASP 259.A OD1 no hydrogen 2.900 N/A THR 63.A OG1 ASP 259.A OD1 no hydrogen 3.029 N/A LEU 64.A N ASP 259.A OD2 no hydrogen 3.234 N/A GLU 65.A N TYR 61.A O no hydrogen 3.319 N/A LYS 66.A N GLY 62.A O no hydrogen 3.199 N/A ALA 67.A N THR 63.A O no hydrogen 2.946 N/A TRP 68.A N LEU 64.A O no hydrogen 3.111 N/A HIS 69.A N GLU 65.A O no hydrogen 2.978 N/A ALA 70.A N LYS 66.A O no hydrogen 2.936 N/A ALA 70.A N ALA 67.A O no hydrogen 3.237 N/A PHE 71.A N TRP 68.A O no hydrogen 2.988 N/A PHE 72.A N HIS 69.A O no hydrogen 2.902 N/A THR 73.A N HIS 69.A O no hydrogen 3.137 N/A ALA 74.A N ALA 70.A O no hydrogen 2.870 N/A ALA 75.A N PHE 71.A O no hydrogen 2.815 N/A GLU 76.A N PHE 72.A O no hydrogen 2.848 N/A ARG 77.A N THR 73.A O no hydrogen 2.977 N/A ARG 77.A NH1 GLU 80.A OE2 no hydrogen 3.291 N/A LEU 78.A N ALA 74.A O no hydrogen 2.920 N/A SER 79.A N ALA 75.A O no hydrogen 2.963 N/A SER 79.A OG ALA 41.A O no hydrogen 2.691 N/A GLU 80.A N GLU 76.A O no hydrogen 3.075 N/A LEU 81.A N ARG 77.A O no hydrogen 3.166 N/A HIS 82.A N LEU 78.A O no hydrogen 3.044 N/A HIS 82.A ND1 GLU 37.A OE1 no hydrogen 2.553 N/A LEU 83.A N SER 79.A O no hydrogen 2.891 N/A GLU 84.A N GLU 80.A O no hydrogen 2.988 N/A VAL 85.A N LEU 81.A O no hydrogen 3.051 N/A ARG 86.A N HIS 82.A O no hydrogen 3.168 N/A GLU 87.A N LEU 83.A O no hydrogen 2.807 N/A LYS 88.A N GLU 84.A O no hydrogen 2.964 N/A LYS 88.A NZ GLU 84.A OE1 no hydrogen 2.749 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 2.902 N/A GLY 91.A N GLU 87.A O no hydrogen 2.929 N/A ASP 93.A N LYS 88.A O no hydrogen 3.165 N/A SER 94.A N LEU 89.A O no hydrogen 3.271 N/A SER 94.A OG GLN 31.A OE1 no hydrogen 3.465 N/A SER 94.A OG LEU 89.A O no hydrogen 2.578 N/A SER 94.A OG HIS 90.A O no hydrogen 3.039 N/A GLU 95.A N GLY 91.A O no hydrogen 2.956 N/A ARG 96.A N PRO 92.A O no hydrogen 2.763 N/A ARG 96.A NH1 THR 227.A OG1 no hydrogen 2.785 N/A VAL 97.A N ASP 93.A O no hydrogen 3.400 N/A ARG 98.A N SER 94.A O no hydrogen 3.078 N/A THR 99.A N GLU 95.A O no hydrogen 2.604 N/A THR 99.A OG1 GLU 95.A O no hydrogen 3.143 N/A THR 99.A OG1 GLU 95.A OE2 no hydrogen 2.763 N/A TRP 100.A N ARG 96.A O no hydrogen 2.930 N/A GLN 101.A N VAL 97.A O no hydrogen 2.658 N/A ARG 102.A N ARG 98.A O no hydrogen 2.958 N/A ARG 102.A NH1 GLU 95.A OE2 no hydrogen 3.276 N/A ARG 102.A NH2 GLU 95.A OE2 no hydrogen 3.036 N/A GLY 103.A N THR 99.A O no hydrogen 3.158 N/A GLY 103.A N TRP 100.A O no hydrogen 3.082 N/A ALA 104.A N TRP 100.A O no hydrogen 2.946 N/A ARG 112.A N PHE 108.A O no hydrogen 2.946 N/A ALA 114.A N ALA 110.A O no hydrogen 3.392 N/A GLU 115.A N SER 111.A O no hydrogen 3.161 N/A ASP 116.A N ARG 112.A O no hydrogen 3.216 N/A GLY 117.A N ALA 113.A O no hydrogen 2.887 N/A PHE 118.A N ALA 114.A O no hydrogen 3.018 N/A ARG 119.A N GLU 115.A O no hydrogen 2.869 N/A LYS 120.A N ASP 116.A O no hydrogen 2.975 N/A ALA 121.A N GLY 117.A O no hydrogen 3.350 N/A GLN 122.A N ARG 119.A O no hydrogen 3.099 N/A GLN 122.A NE2 GLU 5.A O no hydrogen 3.674 N/A GLN 122.A NE2 TYR 199.A OH no hydrogen 3.388 N/A LYS 123.A N ARG 119.A O no hydrogen 2.797 N/A LEU 126.A N GLN 122.A O no hydrogen 2.819 N/A LYS 127.A N LYS 123.A O no hydrogen 3.149 N/A ARG 128.A NE GLU 191.A OE1 no hydrogen 3.354 N/A ARG 128.A NH2 GLU 191.A OE1 no hydrogen 3.563 N/A LEU 129.A N TRP 125.A O no hydrogen 3.052 N/A LYS 130.A N LEU 126.A O no hydrogen 2.916 N/A GLU 131.A N LYS 127.A O no hydrogen 3.144 N/A VAL 132.A N ARG 128.A O no hydrogen 3.193 N/A VAL 132.A N LEU 129.A O no hydrogen 3.027 N/A GLU 133.A N LEU 129.A O no hydrogen 3.004 N/A ALA 134.A N LYS 130.A O no hydrogen 3.052 N/A SER 135.A N GLU 131.A O no hydrogen 3.295 N/A SER 135.A OG GLU 131.A O no hydrogen 3.143 N/A LYS 136.A N VAL 132.A O no hydrogen 2.796 N/A LYS 137.A N GLU 133.A O no hydrogen 3.048 N/A SER 138.A N ALA 134.A O no hydrogen 3.027 N/A SER 138.A OG ALA 134.A O no hydrogen 2.881 N/A TYR 139.A N SER 135.A O no hydrogen 2.766 N/A HIS 140.A N LYS 136.A O no hydrogen 2.805 N/A THR 141.A N LYS 137.A O no hydrogen 3.360 N/A THR 141.A OG1 LYS 137.A O no hydrogen 3.056 N/A ALA 142.A N SER 138.A O no hydrogen 3.182 N/A ARG 143.A N TYR 139.A O no hydrogen 3.053 N/A LYS 144.A N HIS 140.A O no hydrogen 3.148 N/A ASP 145.A N THR 141.A O no hydrogen 2.888 N/A GLU 146.A N ALA 142.A O no hydrogen 3.079 N/A LYS 147.A N LYS 144.A O no hydrogen 3.257 N/A THR 148.A N LYS 144.A O no hydrogen 2.998 N/A THR 148.A N ASP 145.A O no hydrogen 3.143 N/A THR 148.A OG1 LYS 144.A O no hydrogen 2.748 N/A ALA 149.A N ASP 145.A O no hydrogen 2.738 N/A THR 151.A N THR 148.A O no hydrogen 3.357 N/A ARG 152.A NE THR 148.A O no hydrogen 3.382 N/A HIS 155.A N ARG 152.A O no hydrogen 3.406 N/A GLN 168.A N LYS 166.A O no hydrogen 2.429 N/A VAL 171.A N GLN 168.A O no hydrogen 3.322 N/A ARG 173.A N GLU 169.A O no hydrogen 3.343 N/A THR 175.A N GLY 172.A O no hydrogen 3.203 N/A LYS 176.A N GLY 172.A O no hydrogen 3.153 N/A GLU 179.A N LYS 176.A O no hydrogen 3.218 N/A LYS 180.A N LYS 176.A O no hydrogen 3.085 N/A LYS 180.A NZ GLU 177.A OE2 no hydrogen 3.083 N/A MET 181.A N GLU 177.A O no hydrogen 3.220 N/A LYS 182.A N ALA 178.A O no hydrogen 3.207 N/A THR 183.A N GLU 179.A O no hydrogen 3.054 N/A THR 183.A OG1 GLU 179.A O no hydrogen 3.341 N/A GLN 184.A N LYS 180.A O no hydrogen 3.187 N/A TYR 185.A N MET 181.A O no hydrogen 2.958 N/A GLU 186.A N LYS 182.A O no hydrogen 2.961 N/A GLN 187.A N THR 183.A O no hydrogen 2.854 N/A THR 188.A N GLN 184.A O no hydrogen 3.060 N/A LEU 189.A N TYR 185.A O no hydrogen 3.138 N/A ALA 190.A N GLU 186.A O no hydrogen 2.983 N/A GLU 191.A N GLN 187.A O no hydrogen 3.182 N/A LEU 192.A N THR 188.A O no hydrogen 3.374 N/A ASN 193.A N LEU 189.A O no hydrogen 3.173 N/A ARG 194.A N ALA 190.A O no hydrogen 2.960 N/A TYR 195.A N GLU 191.A O no hydrogen 3.208 N/A TYR 195.A N LEU 192.A O no hydrogen 3.399 N/A THR 196.A N LEU 192.A O no hydrogen 3.173 N/A THR 196.A N ASN 193.A O no hydrogen 3.246 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.760 N/A ARG 198.A N TYR 195.A O no hydrogen 2.935 N/A ARG 198.A NE ASP 202.A OD2 no hydrogen 3.039 N/A TYR 199.A N TYR 195.A O no hydrogen 2.943 N/A TYR 199.A OH TRP 4.A O no hydrogen 2.633 N/A MET 200.A N THR 196.A O no hydrogen 2.846 N/A GLU 201.A N PRO 197.A O no hydrogen 3.225 N/A ASP 202.A N ARG 198.A O no hydrogen 3.056 N/A MET 203.A N TYR 199.A O no hydrogen 3.052 N/A GLU 204.A N MET 200.A O no hydrogen 3.072 N/A GLN 205.A N GLU 201.A O no hydrogen 2.974 N/A ALA 206.A N ASP 202.A O no hydrogen 3.060 N/A PHE 207.A N MET 203.A O no hydrogen 2.777 N/A GLU 208.A N GLU 204.A O no hydrogen 2.794 N/A SER 209.A N GLN 205.A O no hydrogen 3.107 N/A CYS 210.A N ALA 206.A O no hydrogen 3.221 N/A CYS 210.A SG ALA 206.A O no hydrogen 3.784 N/A GLN 211.A N PHE 207.A O no hydrogen 2.860 N/A ALA 212.A N GLU 208.A O no hydrogen 2.838 N/A ALA 213.A N SER 209.A O no hydrogen 3.376 N/A GLU 214.A N CYS 210.A O no hydrogen 3.116 N/A ARG 215.A N GLN 211.A O no hydrogen 2.797 N/A GLN 216.A N ALA 212.A O no hydrogen 3.270 N/A ARG 217.A N ALA 213.A O no hydrogen 3.310 N/A ARG 217.A NE GLU 214.A OE1 no hydrogen 2.945 N/A ARG 217.A NH2 GLU 214.A OE2 no hydrogen 2.732 N/A LEU 218.A N GLU 214.A O no hydrogen 2.744 N/A LEU 219.A N ARG 215.A O no hydrogen 2.951 N/A PHE 220.A N GLN 216.A O no hydrogen 2.816 N/A PHE 221.A N ARG 217.A O no hydrogen 2.883 N/A LYS 222.A N LEU 218.A O no hydrogen 3.161 N/A ASP 223.A N LEU 219.A O no hydrogen 2.973 N/A VAL 224.A N PHE 220.A O no hydrogen 2.809 N/A LEU 225.A N PHE 221.A O no hydrogen 2.748 N/A LEU 226.A N LYS 222.A O no hydrogen 2.884 N/A THR 227.A N ASP 223.A O no hydrogen 3.042 N/A THR 227.A OG1 ASP 223.A O no hydrogen 3.249 N/A LEU 228.A N VAL 224.A O no hydrogen 2.829 N/A HIS 229.A N LEU 225.A O no hydrogen 2.884 N/A GLN 230.A N LEU 226.A O no hydrogen 3.023 N/A HIS 231.A N THR 227.A O no hydrogen 3.021 N/A HIS 231.A ND1 ASP 93.A OD2 no hydrogen 2.625 N/A LEU 232.A N LEU 228.A O no hydrogen 2.983 N/A ASP 233.A N GLN 230.A O no hydrogen 3.359 N/A LEU 234.A N LEU 232.A O no hydrogen 2.976 N/A SER 235.A N ASP 233.A OD1 no hydrogen 3.239 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.108 N/A SER 236.A N ASP 233.A O no hydrogen 3.300 N/A SER 236.A OG ASP 233.A OD2 no hydrogen 3.156 N/A SER 237.A N LEU 234.A O no hydrogen 3.112 N/A PHE 240.A N SER 237.A OG no hydrogen 3.093 N/A HIS 241.A N SER 237.A O no hydrogen 3.317 N/A HIS 241.A NE2 SER 235.A O no hydrogen 2.558 N/A GLU 242.A N ASP 238.A O no hydrogen 2.879 N/A LEU 243.A N LYS 239.A O no hydrogen 2.936 N/A ARG 245.A N HIS 241.A O no hydrogen 3.222 N/A ASP 246.A N GLU 242.A O no hydrogen 2.735 N/A LEU 247.A N LEU 243.A O no hydrogen 3.028 N/A GLN 248.A N HIS 244.A O no hydrogen 3.035 N/A GLN 249.A N ARG 245.A O no hydrogen 3.015 N/A SER 250.A N ASP 246.A O no hydrogen 3.119 N/A SER 250.A OG ASP 246.A O no hydrogen 3.000 N/A ILE 251.A N LEU 247.A O no hydrogen 3.241 N/A GLU 252.A N GLN 248.A O no hydrogen 2.944 N/A ALA 253.A N GLN 249.A O no hydrogen 3.115 N/A ALA 254.A N ILE 251.A O no hydrogen 3.111 N/A ASP 259.A N SER 255.A O no hydrogen 3.274 N/A LEU 260.A N ASP 256.A O no hydrogen 2.987 N/A ARG 261.A N GLU 257.A O no hydrogen 3.066 N/A TRP 262.A N GLU 258.A O no hydrogen 3.142 N/A TRP 263.A N ASP 259.A O no hydrogen 3.040 N/A ARG 264.A N LEU 260.A O no hydrogen 2.902 N/A SER 265.A N ARG 261.A O no hydrogen 3.113 N/A THR 266.A N TRP 262.A O no hydrogen 2.847 N/A THR 266.A OG1 TRP 262.A O no hydrogen 2.597 N/A HIS 267.A N TRP 263.A O no hydrogen 2.760 N/A GLY 270.A N ARG 264.A O no hydrogen 2.935 N/A MET 271.A N GLY 268.A O no hydrogen 3.020 N/A