Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l3p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 4.A OD2 no hydrogen 3.541 N/A SER 1.A OG GLU 26.A OE1 no hydrogen 3.462 N/A ALA 3.A N GLU 26.A OE2 no hydrogen 3.276 N/A VAL 6.A N LEU 2.A O no hydrogen 3.139 N/A THR 7.A OG1 GLN 15.A O no hydrogen 2.697 N/A TRP 9.A N VAL 6.A O no hydrogen 3.300 N/A PHE 10.A N THR 7.A O no hydrogen 3.301 N/A GLN 15.A N GLU 12.A O no hydrogen 3.350 N/A ASP 17.A N ASP 17.A OD1 no hydrogen 2.467 N/A VAL 18.A N LYS 14.A O no hydrogen 3.121 N/A SER 19.A N GLN 15.A O no hydrogen 3.243 N/A GLN 20.A N SER 16.A O no hydrogen 3.131 N/A GLN 20.A NE2 SER 16.A O no hydrogen 3.651 N/A ILE 21.A N ASP 17.A O no hydrogen 3.153 N/A TRP 22.A N VAL 18.A O no hydrogen 3.283 N/A ALA 24.A N ILE 21.A O no hydrogen 3.287 N/A GLU 28.A N PHE 25.A O no hydrogen 2.861 N/A ALA 31.A N GLU 28.A O no hydrogen 3.338 N/A THR 33.A N HIS 30.A O no hydrogen 2.982 N/A THR 33.A OG1 HIS 30.A O no hydrogen 2.954 N/A PHE 34.A N HIS 30.A O no hydrogen 2.887 N/A SER 35.A OG ALA 31.A O no hydrogen 2.932 N/A SER 35.A OG ASN 32.A O no hydrogen 2.608 N/A ALA 36.A N THR 33.A O no hydrogen 2.940 N/A PHE 37.A N THR 33.A O no hydrogen 3.220 N/A LEU 38.A N PHE 34.A O no hydrogen 3.276 N/A ARG 40.A N ALA 36.A O no hydrogen 2.982 N/A LEU 41.A N PHE 37.A O no hydrogen 2.696 N/A SER 42.A N ASP 39.A O no hydrogen 3.264 N/A VAL 45.A N ASP 43.A O no hydrogen 2.785 N/A ARG 51.A NH2 ALA 8.A O no hydrogen 2.828 N/A GLN 53.A N GLY 49.A O no hydrogen 3.260 N/A GLN 53.A N PHE 50.A O no hydrogen 2.907 N/A VAL 54.A N PHE 50.A O no hydrogen 2.975 N/A ALA 55.A N ARG 51.A O no hydrogen 2.998 N/A ALA 56.A N GLU 52.A O no hydrogen 3.183 N/A TRP 57.A N GLN 53.A O no hydrogen 3.130 N/A LEU 58.A N VAL 54.A O no hydrogen 2.709 N/A GLU 59.A N ALA 55.A O no hydrogen 2.958 N/A LYS 60.A N TRP 57.A O no hydrogen 3.079 N/A LEU 61.A N LEU 58.A O no hydrogen 3.299 N/A SER 62.A OG LEU 58.A O no hydrogen 3.360 N/A SER 62.A OG GLU 59.A O no hydrogen 3.521 N/A SER 64.A N LYS 60.A O no hydrogen 3.429 N/A GLU 66.A N SER 64.A OG no hydrogen 3.186 N/A LEU 67.A N SER 64.A OG no hydrogen 2.979 N/A ARG 68.A N SER 64.A O no hydrogen 3.348 N/A ARG 68.A NE GLU 28.A OE1 no hydrogen 3.007 N/A ARG 68.A NH1 LEU 61.A O no hydrogen 2.964 N/A ARG 68.A NH2 GLU 28.A OE1 no hydrogen 3.534 N/A ARG 68.A NH2 GLU 28.A OE2 no hydrogen 2.640 N/A GLN 69.A N ALA 65.A O no hydrogen 3.210 N/A GLN 70.A N GLU 66.A O no hydrogen 3.063 N/A SER 71.A N LEU 67.A O no hydrogen 2.947 N/A SER 71.A OG LEU 67.A O no hydrogen 2.992 N/A PHE 72.A N ARG 68.A O no hydrogen 2.962 N/A ALA 73.A N GLN 69.A O no hydrogen 3.357 N/A VAL 74.A N GLN 70.A O no hydrogen 2.847 N/A ALA 75.A N SER 71.A O no hydrogen 3.194 N/A ALA 76.A N PHE 72.A O no hydrogen 2.978 N/A ASP 77.A N ALA 73.A O no hydrogen 2.990 N/A ALA 78.A N VAL 74.A O no hydrogen 3.402 N/A THR 79.A N ALA 75.A O no hydrogen 3.143 N/A THR 79.A OG1 ALA 75.A O no hydrogen 2.670 N/A GLU 80.A N ALA 76.A O no hydrogen 2.804 N/A SER 81.A N ASP 77.A O no hydrogen 3.020 N/A SER 81.A OG ASP 77.A O no hydrogen 3.078 N/A CYS 82.A N ALA 78.A O no hydrogen 2.762 N/A CYS 82.A SG ALA 78.A O no hydrogen 3.423 N/A GLU 83.A N THR 79.A O no hydrogen 2.952 N/A ARG 85.A N SER 81.A O no hydrogen 3.189 N/A VAL 86.A N CYS 82.A O no hydrogen 3.013 N/A ALA 87.A N GLU 83.A O no hydrogen 3.121 N/A LEU 88.A N ASP 84.A O no hydrogen 3.069 N/A LEU 88.A N ARG 85.A O no hydrogen 3.086 N/A THR 89.A N ARG 85.A O no hydrogen 2.846 N/A THR 89.A OG1 ARG 85.A O no hydrogen 2.612 N/A TRP 90.A N VAL 86.A O no hydrogen 3.439 N/A ASN 91.A N LEU 88.A O no hydrogen 2.928 N/A ASN 91.A ND2 GLN 144.A OE1 no hydrogen 3.449 N/A ASN 92.A N LEU 88.A O no hydrogen 3.302 N/A LEU 93.A N THR 89.A O no hydrogen 2.842 N/A ARG 94.A N TRP 90.A O no hydrogen 3.144 N/A ARG 94.A NH1 THR 155.A OG1 no hydrogen 3.253 N/A LYS 95.A N ASN 91.A O no hydrogen 3.046 N/A THR 96.A N ASN 92.A O no hydrogen 3.057 N/A THR 96.A OG1 ASN 92.A O no hydrogen 2.809 N/A LEU 97.A N LEU 93.A O no hydrogen 2.976 N/A LEU 98.A N ARG 94.A O no hydrogen 3.201 N/A HIS 100.A N THR 96.A O no hydrogen 3.151 N/A GLN 101.A N LEU 97.A O no hydrogen 2.725 N/A ALA 102.A N LEU 98.A O no hydrogen 2.922 N/A SER 103.A N VAL 99.A O no hydrogen 3.191 N/A SER 103.A OG VAL 99.A O no hydrogen 3.102 N/A SER 103.A OG HIS 100.A O no hydrogen 2.787 N/A GLU 104.A N HIS 100.A O no hydrogen 2.767 N/A GLY 105.A N GLN 101.A O no hydrogen 3.035 N/A GLY 105.A N ALA 102.A O no hydrogen 3.183 N/A LEU 106.A N GLN 101.A O no hydrogen 2.974 N/A ASP 110.A N PHE 107.A O no hydrogen 2.700 N/A LEU 115.A N THR 111.A O no hydrogen 2.978 N/A SER 116.A N GLY 112.A O no hydrogen 3.100 N/A LEU 117.A N ALA 113.A O no hydrogen 2.856 N/A GLY 118.A N LEU 114.A O no hydrogen 2.787 N/A ARG 119.A N LEU 115.A O no hydrogen 3.246 N/A ARG 119.A NH1 GLU 175.A OE2 no hydrogen 2.704 N/A GLU 120.A N SER 116.A O no hydrogen 3.324 N/A MET 121.A N LEU 117.A O no hydrogen 3.103 N/A PHE 122.A N GLY 118.A O no hydrogen 2.898 N/A ARG 123.A N ARG 119.A O no hydrogen 3.023 N/A ARG 123.A NE GLU 175.A OE1 no hydrogen 2.747 N/A ARG 123.A NH2 GLU 175.A OE2 no hydrogen 3.073 N/A LEU 124.A N GLU 120.A O no hydrogen 3.333 N/A GLU 125.A N MET 121.A O no hydrogen 3.199 N/A ILE 126.A N PHE 122.A O no hydrogen 3.015 N/A LEU 127.A N ARG 123.A O no hydrogen 3.019 N/A GLU 128.A N LEU 124.A O no hydrogen 3.099 N/A ASP 129.A N GLU 125.A O no hydrogen 3.380 N/A ILE 130.A N ILE 126.A O no hydrogen 3.180 N/A ALA 131.A N GLU 128.A O no hydrogen 3.298 N/A ARG 132.A N GLU 128.A O no hydrogen 3.022 N/A LYS 134.A N ALA 131.A O no hydrogen 3.222 N/A VAL 139.A N GLU 136.A O no hydrogen 3.432 N/A TYR 140.A N ILE 137.A O no hydrogen 2.844 N/A LEU 141.A N ILE 137.A O no hydrogen 3.445 N/A ALA 142.A N GLU 138.A O no hydrogen 2.870 N/A PHE 143.A N VAL 139.A O no hydrogen 2.842 N/A GLN 144.A N TYR 140.A O no hydrogen 3.016 N/A THR 145.A N LEU 141.A O no hydrogen 3.343 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.605 N/A MET 146.A N ALA 142.A O no hydrogen 3.362 N/A LEU 147.A N PHE 143.A O no hydrogen 2.983 N/A LEU 151.A N LEU 147.A O no hydrogen 2.833 N/A LEU 153.A N ALA 148.A O no hydrogen 2.691 N/A SER 154.A N GLU 120.A OE2 no hydrogen 2.792 N/A SER 154.A OG SER 154.A O no hydrogen 2.636 N/A THR 155.A OG1 ASN 91.A OD1 no hydrogen 3.544 N/A SER 157.A OG VAL 156.A O no hydrogen 2.507 N/A THR 160.A N ASP 163.A OD2 no hydrogen 3.215 N/A THR 160.A OG1 ASP 163.A OD2 no hydrogen 3.002 N/A ASP 163.A N THR 160.A O no hydrogen 3.226 N/A ARG 165.A N ASN 162.A O no hydrogen 3.227 N/A ARG 165.A NH2 GLU 168.A OE1 no hydrogen 2.703 N/A ALA 167.A N ASP 163.A O no hydrogen 3.375 N/A GLU 168.A N LEU 164.A O no hydrogen 3.240 N/A ALA 169.A N ARG 165.A O no hydrogen 3.444 N/A MET 170.A N THR 166.A O no hydrogen 2.903 N/A MET 170.A N ALA 167.A O no hydrogen 2.969 N/A VAL 171.A N ALA 167.A O no hydrogen 2.782 N/A ARG 172.A N GLU 168.A O no hydrogen 2.962 N/A ARG 174.A N MET 170.A O no hydrogen 2.975 N/A ARG 174.A NE GLU 178.A OE2 no hydrogen 2.835 N/A ARG 174.A NH2 GLU 178.A OE2 no hydrogen 2.652 N/A GLU 175.A N VAL 171.A O no hydrogen 2.833 N/A GLU 176.A N ARG 172.A O no hydrogen 3.413 N/A ASN 177.A N SER 173.A O no hydrogen 3.084 N/A GLU 178.A N ARG 174.A O no hydrogen 2.790 N/A ASP 181.A N GLU 178.A O no hydrogen 2.745 N/A PHE 183.A N PHE 179.A O no hydrogen 2.588 N/A SER 184.A N THR 180.A O no hydrogen 3.364 N/A SER 184.A OG THR 180.A O no hydrogen 2.704 N/A SER 184.A OG THR 256.A OG1 no hydrogen 3.200 N/A LEU 185.A N TRP 182.A O no hydrogen 2.974 N/A TRP 186.A N PHE 183.A O no hydrogen 3.104 N/A TRP 189.A NE1 THR 256.A OG1 no hydrogen 3.079 N/A HIS 190.A N TRP 186.A O no hydrogen 2.989 N/A ALA 191.A N GLY 187.A O no hydrogen 3.001 N/A VAL 192.A N PRO 188.A O no hydrogen 3.279 N/A LEU 193.A N TRP 189.A O no hydrogen 3.229 N/A LYS 194.A N HIS 190.A O no hydrogen 3.247 N/A ARG 195.A NE ASP 108.A OD1 no hydrogen 2.770 N/A ARG 195.A NE ASP 108.A OD2 no hydrogen 3.084 N/A ARG 195.A NH1 SER 103.A O no hydrogen 3.366 N/A ARG 195.A NH2 ASP 108.A OD2 no hydrogen 2.642 N/A THR 196.A N VAL 192.A O no hydrogen 2.806 N/A THR 196.A OG1 ASP 108.A O no hydrogen 3.399 N/A THR 196.A OG1 VAL 192.A O no hydrogen 2.931 N/A TRP 201.A N GLU 197.A O no hydrogen 2.804 N/A ALA 202.A N ALA 198.A O no hydrogen 3.174 N/A GLN 203.A N ARG 200.A O no hydrogen 3.251 N/A ALA 204.A N ARG 200.A O no hydrogen 3.375 N/A GLU 205.A N TRP 201.A O no hydrogen 3.206 N/A GLN 207.A N GLN 203.A O no hydrogen 3.326 N/A LYS 208.A N ALA 204.A O no hydrogen 3.347 N/A LYS 208.A NZ GLU 248.A OE2 no hydrogen 3.388 N/A LYS 208.A NZ TYR 252.A OH no hydrogen 3.295 N/A TYR 209.A N GLU 205.A O no hydrogen 3.419 N/A GLU 210.A N GLU 206.A O no hydrogen 2.963 N/A MET 211.A N GLN 207.A O no hydrogen 2.852 N/A LEU 212.A N LYS 208.A O no hydrogen 2.766 N/A GLU 213.A N TYR 209.A O no hydrogen 3.353 N/A ASN 214.A N GLU 210.A O no hydrogen 3.185 N/A TYR 216.A N MET 211.A O no hydrogen 2.750 N/A ARG 219.A N GLU 215.A O no hydrogen 2.809 N/A VAL 220.A N TYR 216.A O no hydrogen 3.002 N/A ALA 221.A N PRO 217.A O no hydrogen 3.377 N/A ASP 222.A N GLN 218.A O no hydrogen 2.963 N/A LEU 224.A N VAL 220.A O no hydrogen 2.905 N/A LYS 225.A N ALA 221.A O no hydrogen 2.792 N/A ALA 226.A N ASP 222.A O no hydrogen 3.168 N/A SER 227.A N ARG 223.A O no hydrogen 3.213 N/A GLY 228.A N LEU 224.A O no hydrogen 3.028 N/A LEU 229.A N LEU 224.A O no hydrogen 2.942 N/A ASP 234.A N ASP 232.A OD1 no hydrogen 3.201 N/A ALA 235.A N ASP 232.A O no hydrogen 2.897 N/A ARG 237.A N ALA 233.A O no hydrogen 2.693 N/A GLY 240.A N GLU 236.A O no hydrogen 2.954 N/A ALA 241.A N ARG 237.A O no hydrogen 2.919 N/A GLN 242.A N ALA 239.A O no hydrogen 3.190 N/A VAL 243.A N ALA 239.A O no hydrogen 3.251 N/A MET 244.A N GLY 240.A O no hydrogen 3.201 N/A ARG 245.A N ALA 241.A O no hydrogen 2.998 N/A GLU 246.A N GLN 242.A O no hydrogen 2.852 N/A THR 247.A N VAL 243.A O no hydrogen 2.826 N/A THR 247.A OG1 VAL 243.A O no hydrogen 2.794 N/A THR 247.A OG1 MET 244.A O no hydrogen 2.909 N/A GLU 248.A N MET 244.A O no hydrogen 2.983 N/A GLN 249.A N ARG 245.A O no hydrogen 2.910 N/A GLN 249.A NE2 ASP 181.A O no hydrogen 3.131 N/A GLN 249.A NE2 GLN 249.A O no hydrogen 2.957 N/A GLN 250.A N GLU 246.A O no hydrogen 2.985 N/A GLN 250.A NE2 GLU 246.A OE2 no hydrogen 3.203 N/A ILE 251.A N THR 247.A O no hydrogen 2.991 N/A TYR 252.A N GLU 248.A O no hydrogen 3.001 N/A TYR 252.A OH GLU 205.A OE2 no hydrogen 3.004 N/A ARG 253.A N GLN 249.A O no hydrogen 3.314 N/A ARG 253.A NE ASP 257.A OD1 no hydrogen 3.474 N/A ARG 253.A NH1 ASP 181.A OD1 no hydrogen 3.116 N/A GLN 254.A N GLN 250.A O no hydrogen 3.029 N/A GLN 254.A NE2 GLN 250.A O no hydrogen 3.040 N/A LEU 255.A N ILE 251.A O no hydrogen 3.040 N/A THR 256.A N TYR 252.A O no hydrogen 3.008 N/A THR 256.A OG1 SER 184.A OG no hydrogen 3.200 N/A THR 256.A OG1 TYR 252.A O no hydrogen 2.790 N/A ASP 257.A N ARG 253.A O no hydrogen 3.061 N/A GLU 258.A N GLN 254.A O no hydrogen 2.970 N/A GLU 258.A N LEU 255.A O no hydrogen 2.986 N/A VAL 259.A N LEU 255.A O no hydrogen 3.113 N/A LEU 260.A N THR 256.A O no hydrogen 3.152 N/A ARG 263.A NE ALA 261.A O no hydrogen 3.123 N/A