Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rrw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N LEU 1.A O no hydrogen 2.765 N/A ARG 5.A N LEU 1.A O no hydrogen 3.007 N/A ARG 5.A NH1 GLU 9.A OE2 no hydrogen 3.489 N/A GLN 6.A N ASN 2.A O no hydrogen 2.912 N/A GLN 6.A NE2 TYR 250.A O no hydrogen 3.144 N/A ARG 7.A N GLN 3.A O no hydrogen 3.047 N/A ARG 7.A NH1 PHE 145.A O no hydrogen 3.038 N/A ARG 7.A NH1 ASN 244.A O no hydrogen 3.557 N/A ARG 7.A NH1 ALA 247.A O no hydrogen 2.836 N/A ARG 7.A NH2 PHE 145.A O no hydrogen 2.622 N/A SER 8.A N ARG 4.A O no hydrogen 3.034 N/A SER 8.A OG ARG 5.A O no hydrogen 3.045 N/A GLU 9.A N ARG 5.A O no hydrogen 2.779 N/A PHE 10.A N GLN 6.A O no hydrogen 2.928 N/A GLN 11.A N ARG 7.A O no hydrogen 2.815 N/A GLN 11.A NE2 ASP 142.A O no hydrogen 2.991 N/A SER 12.A N SER 8.A O no hydrogen 2.867 N/A SER 12.A OG SER 8.A O no hydrogen 3.498 N/A LYS 13.A N GLU 9.A O no hydrogen 3.371 N/A ILE 14.A N PHE 10.A O no hydrogen 3.135 N/A LYS 15.A N GLN 11.A O no hydrogen 2.773 N/A LYS 15.A NZ ASP 142.A OD2 no hydrogen 3.504 N/A ILE 16.A N SER 12.A O no hydrogen 2.968 N/A LEU 17.A N LYS 13.A O no hydrogen 3.268 N/A LEU 18.A N ILE 14.A O no hydrogen 2.820 N/A SER 19.A N LYS 15.A O no hydrogen 2.981 N/A SER 19.A OG LYS 15.A O no hydrogen 3.324 N/A SER 19.A OG ILE 16.A O no hydrogen 3.447 N/A THR 20.A N ILE 16.A O no hydrogen 3.156 N/A THR 20.A OG1 ILE 16.A O no hydrogen 2.791 N/A THR 21.A N LEU 17.A O no hydrogen 3.025 N/A THR 21.A OG1 LEU 17.A O no hydrogen 2.755 N/A ILE 22.A N LEU 18.A O no hydrogen 2.794 N/A LYS 23.A N SER 19.A O no hydrogen 2.873 N/A ALA 24.A N THR 20.A O no hydrogen 3.190 N/A ALA 24.A N THR 21.A O no hydrogen 3.031 N/A LYS 25.A N THR 21.A O no hydrogen 3.101 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.597 N/A LEU 28.A N LYS 25.A O no hydrogen 3.313 N/A VAL 29.A N PRO 26.A O no hydrogen 3.095 N/A LEU 32.A N LEU 28.A O no hydrogen 2.876 N/A LEU 33.A N VAL 29.A O no hydrogen 3.052 N/A LYS 34.A N PRO 30.A O no hydrogen 3.057 N/A LEU 35.A N SER 31.A O no hydrogen 2.859 N/A ALA 36.A N LEU 32.A O no hydrogen 3.133 N/A LEU 37.A N LEU 33.A O no hydrogen 3.001 N/A ASN 38.A N LYS 34.A O no hydrogen 2.894 N/A ASN 38.A ND2 ASN 66.A OD1 no hydrogen 2.778 N/A ASP 39.A N LEU 35.A O no hydrogen 3.096 N/A ALA 40.A N ALA 36.A O no hydrogen 3.302 N/A THR 41.A OG1 ASP 39.A O no hydrogen 3.470 N/A THR 41.A OG1 ASP 154.A OD2 no hydrogen 2.428 N/A TYR 42.A N ALA 40.A O no hydrogen 3.124 N/A ASP 43.A N SER 48.A O no hydrogen 2.879 N/A LYS 44.A NZ ASP 43.A OD1 no hydrogen 2.872 N/A THR 46.A N ASP 43.A OD2 no hydrogen 2.861 N/A LYS 47.A N LYS 44.A O no hydrogen 2.810 N/A SER 48.A N ASP 43.A O no hydrogen 3.302 N/A GLY 50.A N THR 41.A OG1 no hydrogen 2.871 N/A ASN 52.A ND2 ASP 154.A OD1 no hydrogen 3.101 N/A ASN 52.A ND2 ASP 154.A OD2 no hydrogen 3.472 N/A GLY 53.A N ASP 39.A OD1 no hydrogen 3.185 N/A GLY 53.A N ASP 39.A OD2 no hydrogen 2.836 N/A SER 54.A N ASN 52.A OD1 no hydrogen 3.013 N/A SER 54.A OG ASP 39.A OD1 no hydrogen 3.253 N/A SER 54.A OG ASN 52.A OD1 no hydrogen 2.990 N/A SER 54.A OG GLU 60.A OE1 no hydrogen 2.804 N/A SER 54.A OG GLU 60.A OE2 no hydrogen 3.476 N/A ARG 56.A N GLY 53.A O no hydrogen 3.139 N/A ARG 56.A NH1 GLY 53.A O no hydrogen 3.116 N/A ARG 56.A NH1 ALA 150.A O no hydrogen 3.296 N/A ARG 56.A NH2 ALA 150.A O no hydrogen 3.219 N/A PHE 57.A N SER 54.A O no hydrogen 3.040 N/A GLU 60.A N PHE 57.A O no hydrogen 2.713 N/A LEU 61.A N PHE 57.A O no hydrogen 2.813 N/A SER 62.A N SER 58.A O no hydrogen 3.059 N/A SER 62.A OG SER 58.A O no hydrogen 2.904 N/A SER 62.A OG SER 59.A O no hydrogen 3.562 N/A ARG 63.A N GLU 60.A O no hydrogen 3.016 N/A ARG 63.A NE GLU 65.A OE2 no hydrogen 3.408 N/A ARG 63.A NH1 ASP 154.A O no hydrogen 3.361 N/A ARG 63.A NH2 ASP 154.A O no hydrogen 2.757 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 3.134 N/A ASN 66.A N ARG 63.A O no hydrogen 2.728 N/A ASN 66.A ND2 GLU 60.A O no hydrogen 3.012 N/A GLU 67.A N ALA 64.A O no hydrogen 3.012 N/A LEU 69.A N ASN 66.A O no hydrogen 3.324 N/A LEU 73.A N LEU 69.A O no hydrogen 3.135 N/A SER 74.A N SER 70.A O no hydrogen 2.879 N/A SER 74.A OG SER 70.A O no hydrogen 3.521 N/A LEU 75.A N ASP 71.A O no hydrogen 3.129 N/A ILE 76.A N GLY 72.A O no hydrogen 3.091 N/A GLU 77.A N LEU 73.A O no hydrogen 3.062 N/A GLU 78.A N SER 74.A O no hydrogen 2.994 N/A VAL 79.A N LEU 75.A O no hydrogen 2.877 N/A LYS 80.A N ILE 76.A O no hydrogen 2.810 N/A LYS 80.A NZ ASP 84.A OD1 no hydrogen 3.190 N/A LYS 80.A NZ ASP 84.A OD2 no hydrogen 2.604 N/A LYS 80.A NZ ILE 92.A O no hydrogen 2.972 N/A LYS 81.A N GLU 77.A O no hydrogen 3.028 N/A GLU 82.A N GLU 78.A O no hydrogen 3.136 N/A ILE 83.A N VAL 79.A O no hydrogen 2.836 N/A ASP 84.A N LYS 80.A O no hydrogen 2.827 N/A SER 85.A N GLU 82.A O no hydrogen 3.288 N/A SER 85.A OG GLU 82.A O no hydrogen 2.912 N/A ILE 86.A N ILE 83.A O no hydrogen 3.057 N/A SER 87.A N ILE 83.A O no hydrogen 3.021 N/A SER 87.A OG GLY 90.A O no hydrogen 2.741 N/A GLY 89.A N SER 87.A OG no hydrogen 3.139 N/A ILE 92.A N ASP 84.A OD1 no hydrogen 3.061 N/A SER 93.A N TYR 248.A OH no hydrogen 3.103 N/A SER 93.A OG ASP 96.A OD2 no hydrogen 3.187 N/A SER 93.A OG ARG 147.A O no hydrogen 2.991 N/A TYR 94.A N ASP 149.A OD2 no hydrogen 2.944 N/A TYR 94.A OH GLU 77.A OE1 no hydrogen 2.600 N/A ALA 95.A N ASP 149.A OD1 no hydrogen 2.806 N/A ASP 96.A N SER 93.A OG no hydrogen 3.062 N/A ILE 97.A N SER 93.A O no hydrogen 3.097 N/A ILE 98.A N TYR 94.A O no hydrogen 2.971 N/A GLN 99.A N ALA 95.A O no hydrogen 3.366 N/A GLN 99.A NE2 ALA 36.A O no hydrogen 3.139 N/A LEU 100.A N ASP 96.A O no hydrogen 2.799 N/A ALA 101.A N ILE 97.A O no hydrogen 2.663 N/A GLY 102.A N ILE 98.A O no hydrogen 3.136 N/A GLN 103.A N GLN 99.A O no hydrogen 2.986 N/A GLN 103.A NE2 ASP 142.A OD1 no hydrogen 2.908 N/A SER 104.A N LEU 100.A O no hydrogen 3.076 N/A ALA 105.A N ALA 101.A O no hydrogen 3.028 N/A VAL 106.A N GLY 102.A O no hydrogen 2.961 N/A LYS 107.A N GLN 103.A O no hydrogen 3.081 N/A PHE 108.A N SER 104.A O no hydrogen 2.900 N/A THR 109.A N ALA 105.A O no hydrogen 2.981 N/A THR 109.A OG1 VAL 106.A O no hydrogen 2.788 N/A TYR 110.A N VAL 106.A O no hydrogen 2.944 N/A LEU 111.A N LYS 107.A O no hydrogen 2.840 N/A ALA 112.A N PHE 108.A O no hydrogen 2.889 N/A SER 113.A N THR 109.A O no hydrogen 3.293 N/A ALA 114.A N TYR 110.A O no hydrogen 3.269 N/A ILE 115.A N LEU 111.A O no hydrogen 3.044 N/A ARG 116.A N ALA 112.A O no hydrogen 2.901 N/A LYS 117.A N SER 113.A O no hydrogen 2.799 N/A LYS 117.A NZ ARG 217.A O no hydrogen 3.279 N/A LYS 117.A NZ THR 219.A O no hydrogen 3.291 N/A LYS 117.A NZ VAL 220.A O no hydrogen 3.302 N/A LYS 117.A NZ GLN 222.A OE1 no hydrogen 2.933 N/A CYS 118.A N ILE 115.A O no hydrogen 3.238 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.320 N/A GLY 119.A N ARG 116.A O no hydrogen 3.063 N/A ASN 121.A N CYS 118.A O no hydrogen 3.424 N/A LYS 124.A N ASN 121.A OD1 no hydrogen 2.989 N/A GLY 125.A N ASN 121.A O no hydrogen 3.314 N/A ASN 126.A N GLU 122.A O no hydrogen 3.206 N/A ASN 126.A ND2 GLU 122.A O no hydrogen 3.348 N/A LEU 128.A N LYS 124.A O no hydrogen 2.944 N/A TYR 129.A N GLY 125.A O no hydrogen 2.923 N/A THR 130.A N ASN 126.A O no hydrogen 2.974 N/A THR 130.A OG1 ASN 126.A O no hydrogen 2.646 N/A ALA 131.A N LEU 127.A O no hydrogen 2.966 N/A GLN 137.A N SER 134.A O no hydrogen 2.390 N/A TRP 138.A N ALA 135.A O no hydrogen 3.280 N/A ASP 142.A N TRP 138.A O no hydrogen 2.718 N/A ARG 143.A N GLY 139.A O no hydrogen 3.181 N/A ARG 143.A N LEU 140.A O no hydrogen 2.917 N/A ASN 144.A N LEU 140.A O no hydrogen 3.180 N/A ASN 144.A N PHE 141.A O no hydrogen 3.138 N/A GLY 146.A N ASP 96.A OD1 no hydrogen 3.195 N/A ARG 147.A N ASP 96.A OD1 no hydrogen 3.259 N/A ARG 147.A N ASP 96.A OD2 no hydrogen 2.882 N/A ARG 147.A NE ASP 96.A OD1 no hydrogen 2.992 N/A ARG 147.A NH1 SER 237.A O no hydrogen 2.782 N/A ARG 147.A NH2 ASP 96.A OD1 no hydrogen 3.212 N/A SER 148.A N GLN 241.A OE1 no hydrogen 2.678 N/A ALA 150.A N ASN 52.A O no hydrogen 2.842 N/A ASP 154.A N GLU 60.A OE1 no hydrogen 3.049 N/A ARG 158.A NH1 THR 41.A O no hydrogen 3.135 N/A ARG 158.A NH1 SER 48.A OG no hydrogen 2.860 N/A ARG 158.A NH2 SER 48.A OG no hydrogen 3.298 N/A TRP 162.A NE1 ASN 38.A OD1 no hydrogen 2.919 N/A LYS 164.A N GLN 161.A O no hydrogen 2.856 N/A ALA 165.A N TRP 162.A O no hydrogen 3.123 N/A THR 166.A N GLU 169.A OE1 no hydrogen 2.929 N/A THR 166.A OG1 GLU 169.A OE1 no hydrogen 2.868 N/A GLN 168.A NE2 ASP 171.A OD1 no hydrogen 3.137 N/A LYS 170.A NZ GLN 168.A OE1 no hydrogen 2.792 N/A LYS 170.A NZ ASP 203.A OD1 no hydrogen 3.446 N/A LYS 170.A NZ ASP 203.A OD2 no hydrogen 2.637 N/A ASP 171.A N GLN 168.A O no hydrogen 3.019 N/A LYS 172.A N GLU 169.A O no hydrogen 3.164 N/A LYS 172.A NZ ARG 158.A O no hydrogen 2.544 N/A ILE 174.A N LYS 170.A O no hydrogen 2.904 N/A ALA 175.A N ASP 171.A O no hydrogen 2.922 N/A VAL 176.A N PHE 173.A O no hydrogen 3.262 N/A GLY 177.A N ILE 174.A O no hydrogen 2.800 N/A LEU 178.A N PHE 173.A O no hydrogen 2.604 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 2.890 N/A LEU 183.A N GLY 179.A O no hydrogen 3.052 N/A ALA 184.A N PRO 180.A O no hydrogen 3.067 N/A VAL 185.A N ARG 181.A O no hydrogen 3.056 N/A SER 186.A OG ALA 184.A O no hydrogen 2.609 N/A SER 186.A OG GLU 197.A OE2 no hydrogen 3.101 N/A LEU 189.A N SER 186.A O no hydrogen 3.001 N/A GLN 193.A NE2 TYR 225.A OH no hydrogen 2.953 N/A ALA 195.A N ASP 192.A OD1 no hydrogen 3.147 N/A THR 196.A N ASP 192.A O no hydrogen 2.920 N/A THR 196.A OG1 ASP 192.A O no hydrogen 3.335 N/A GLU 197.A N GLN 193.A O no hydrogen 2.740 N/A GLN 198.A N ALA 194.A O no hydrogen 2.950 N/A LEU 199.A N ALA 195.A O no hydrogen 3.071 N/A LEU 200.A N THR 196.A O no hydrogen 2.918 N/A ALA 201.A N GLU 197.A O no hydrogen 2.969 N/A THR 202.A N LEU 199.A O no hydrogen 3.031 N/A THR 202.A OG1 LEU 199.A O no hydrogen 2.651 N/A ASP 203.A N LEU 200.A O no hydrogen 3.355 N/A VAL 206.A N ASP 203.A O no hydrogen 3.042 N/A VAL 206.A N ASP 203.A OD1 no hydrogen 3.217 N/A ALA 207.A N ASP 203.A O no hydrogen 3.032 N/A TRP 209.A N VAL 206.A O no hydrogen 2.885 N/A VAL 210.A N VAL 206.A O no hydrogen 3.089 N/A GLN 211.A N ALA 207.A O no hydrogen 2.846 N/A LYS 212.A N PRO 208.A O no hydrogen 3.011 N/A TYR 213.A N TRP 209.A O no hydrogen 2.985 N/A TYR 213.A OH ASP 228.A OD2 no hydrogen 2.438 N/A GLN 214.A N VAL 210.A O no hydrogen 2.882 N/A GLN 214.A NE2 GLU 197.A OE1 no hydrogen 3.428 N/A ARG 215.A N GLN 211.A O no hydrogen 3.001 N/A SER 216.A N LYS 212.A O no hydrogen 2.982 N/A ARG 217.A N TYR 213.A O no hydrogen 2.855 N/A ARG 217.A NH1 GLU 197.A OE2 no hydrogen 2.844 N/A ARG 217.A NH2 GLU 197.A OE1 no hydrogen 2.502 N/A ARG 217.A NH2 GLU 197.A OE2 no hydrogen 3.175 N/A GLU 218.A N GLN 214.A O no hydrogen 3.191 N/A GLU 218.A N ARG 215.A O no hydrogen 3.066 N/A THR 219.A N SER 216.A O no hydrogen 3.074 N/A THR 219.A OG1 SER 216.A O no hydrogen 2.572 N/A GLN 222.A N THR 219.A OG1 no hydrogen 3.132 N/A GLN 222.A NE2 GLU 226.A OE2 no hydrogen 2.749 N/A TYR 225.A N SER 216.A OG no hydrogen 3.119 N/A GLU 226.A N GLN 222.A O no hydrogen 3.121 N/A VAL 227.A N THR 223.A O no hydrogen 2.831 N/A ASP 228.A N ASP 224.A O no hydrogen 2.987 N/A LEU 229.A N TYR 225.A O no hydrogen 3.027 N/A ILE 230.A N GLU 226.A O no hydrogen 3.223 N/A THR 231.A N VAL 227.A O no hydrogen 2.945 N/A THR 231.A OG1 VAL 227.A O no hydrogen 2.948 N/A ALA 232.A N ASP 228.A O no hydrogen 2.992 N/A PHE 233.A N LEU 229.A O no hydrogen 2.758 N/A THR 234.A N ILE 230.A O no hydrogen 2.815 N/A THR 234.A OG1 ILE 230.A O no hydrogen 2.645 N/A LYS 235.A N THR 231.A O no hydrogen 3.189 N/A LEU 236.A N ALA 232.A O no hydrogen 2.949 N/A SER 237.A N PHE 233.A O no hydrogen 2.771 N/A SER 237.A OG THR 234.A O no hydrogen 3.451 N/A CYS 238.A SG THR 234.A O no hydrogen 3.650 N/A GLN 241.A N CYS 238.A O no hydrogen 3.301 N/A GLN 241.A NE2 SER 148.A O no hydrogen 2.879 N/A ASN 244.A N GLY 146.A O no hydrogen 2.879 N/A GLU 246.A N ASN 244.A OD1 no hydrogen 2.869 N/A ALA 247.A N ASN 244.A O no hydrogen 3.083 N/A TYR 248.A OH ASP 96.A OD2 no hydrogen 2.575 N/A THR 249.A OG1 GLU 246.A O no hydrogen 2.858 N/A TYR 250.A N GLN 6.A OE1 no hydrogen 3.157 N/A