Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5b3m_O.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 29.O OG ASN 28.O OD1 no hydrogen 3.285 N/A VAL 30.O N VAL 42.O O no hydrogen 2.733 N/A VAL 32.O N VAL 40.O O no hydrogen 2.948 N/A LEU 34.O N MET 38.O O no hydrogen 2.719 N/A LYS 39.O NZ SER 31.O OG no hydrogen 3.031 N/A VAL 40.O N VAL 32.O O no hydrogen 2.710 N/A LEU 41.O N ILE 55.O O no hydrogen 2.656 N/A VAL 42.O N VAL 30.O O no hydrogen 2.881 N/A SER 43.O N ASP 53.O O no hydrogen 3.179 N/A SER 43.O OG SER 45.O O no hydrogen 3.395 N/A SER 43.O OG ASP 53.O O no hydrogen 3.424 N/A LYS 44.O N ASN 28.O O no hydrogen 3.276 N/A SER 46.O OG ASN 47.O O.B no hydrogen 3.456 N/A ASN 47.O N.A LYS 51.O O no hydrogen 2.730 N/A ASN 47.O N.B LYS 51.O O no hydrogen 2.793 N/A ASN 47.O ND2.B ASP 53.O OD1 no hydrogen 3.414 N/A ASN 47.O ND2.B ASP 53.O OD2 no hydrogen 3.114 N/A GLY 50.O N ASN 47.O O.A no hydrogen 2.398 N/A GLY 50.O N ASN 47.O O.B no hydrogen 2.911 N/A LYS 51.O N ASN 47.O OD1.A no hydrogen 3.070 N/A TYR 52.O N SER 67.O O no hydrogen 2.725 N/A ASP 53.O N SER 43.O OG no hydrogen 3.054 N/A LEU 54.O N GLY 65.O O no hydrogen 2.884 N/A ILE 55.O N LEU 41.O O no hydrogen 3.012 N/A ALA 56.O N LEU 63.O O no hydrogen 2.818 N/A THR 57.O N LYS 39.O O no hydrogen 3.420 N/A VAL 58.O N LEU 61.O O no hydrogen 2.835 N/A ALA 60.O N ASP 59.O OD2 no hydrogen 2.549 N/A LEU 61.O N VAL 58.O O no hydrogen 2.825 N/A LEU 63.O N ALA 56.O O no hydrogen 2.928 N/A SER 64.O N GLU 77.O O no hydrogen 2.843 N/A GLY 65.O N LEU 54.O O no hydrogen 2.965 N/A THR 66.O N VAL 75.O O no hydrogen 2.984 N/A THR 66.O OG1 TYR 52.O O no hydrogen 2.595 N/A SER 67.O N TYR 52.O O no hydrogen 3.212 N/A SER 67.O OG LYS 69.O O no hydrogen 3.339 N/A SER 67.O OG SER 73.O O no hydrogen 3.235 N/A LYS 69.O N SER 67.O OG no hydrogen 3.022 N/A LYS 69.O NZ ASP 92.O OD2 no hydrogen 2.951 N/A SER 73.O N ASN 71.O OD1 no hydrogen 3.113 N/A SER 73.O OG ASN 71.O OD1 no hydrogen 2.953 N/A GLY 74.O N ILE 90.O O no hydrogen 3.003 N/A VAL 75.O N THR 66.O O no hydrogen 3.280 N/A LEU 76.O N LEU 88.O O no hydrogen 2.882 N/A GLU 77.O N SER 64.O O no hydrogen 2.863 N/A GLY 78.O N VAL 86.O O no hydrogen 3.070 N/A LYS 80.O N SER 84.O O no hydrogen 2.647 N/A ALA 83.O N LYS 80.O O no hydrogen 2.825 N/A SER 84.O N ASP 82.O OD1 no hydrogen 2.920 N/A SER 84.O OG ASP 82.O OD1 no hydrogen 3.081 N/A SER 84.O OG PHE 102.O O no hydrogen 3.406 N/A LYS 85.O N PHE 102.O O no hydrogen 3.212 N/A VAL 86.O N GLY 78.O O no hydrogen 2.754 N/A LYS 87.O N GLU 100.O O no hydrogen 2.794 N/A LYS 87.O NZ GLU 100.O OE1 no hydrogen 2.584 N/A LEU 88.O N LEU 76.O O no hydrogen 2.865 N/A THR 89.O N THR 98.O O no hydrogen 2.951 N/A ILE 90.O N GLY 74.O O no hydrogen 2.903 N/A SER 91.O N GLN 96.O O no hydrogen 2.999 N/A SER 91.O OG GLN 96.O O no hydrogen 3.452 N/A ASP 93.O N ASP 92.O OD1 no hydrogen 2.908 N/A GLY 95.O N SER 91.O O no hydrogen 2.943 N/A GLN 96.O N SER 91.O OG no hydrogen 3.220 N/A THR 97.O N THR 115.O O no hydrogen 2.977 N/A THR 98.O N THR 89.O O no hydrogen 2.744 N/A LEU 99.O N LYS 113.O O no hydrogen 2.741 N/A GLU 100.O N LYS 87.O O no hydrogen 2.816 N/A VAL 101.O N SER 111.O O no hydrogen 2.885 N/A PHE 102.O N LYS 85.O O no hydrogen 2.754 N/A LYS 103.O N THR 108.O O no hydrogen 2.912 N/A LYS 103.O NZ GLU 128.O O no hydrogen 3.356 N/A SER 104.O OG ALA 83.O O no hydrogen 3.416 N/A GLY 106.O N LYS 103.O O no hydrogen 2.782 N/A SER 107.O N ASP 105.O OD1 no hydrogen 3.025 N/A THR 108.O N ASP 105.O OD1 no hydrogen 3.098 N/A THR 108.O OG1 ASP 105.O OD2 no hydrogen 2.576 N/A VAL 110.O N VAL 101.O O no hydrogen 2.787 N/A SER 111.O N VAL 101.O O no hydrogen 3.203 N/A LYS 112.O N VAL 124.O O no hydrogen 3.052 N/A LYS 113.O N LEU 99.O O no hydrogen 2.761 N/A VAL 114.O N GLY 122.O O no hydrogen 2.769 N/A THR 115.O N THR 97.O O no hydrogen 2.883 N/A SER 116.O N VAL 120.O O no hydrogen 2.863 N/A SER 116.O OG VAL 120.O O no hydrogen 3.565 N/A LYS 119.O N SER 116.O O no hydrogen 2.747 N/A LEU 121.O N THR 138.O O no hydrogen 2.972 N/A GLY 122.O N VAL 114.O O no hydrogen 2.588 N/A ASP 123.O N ILE 136.O O no hydrogen 2.937 N/A VAL 124.O N LYS 112.O O no hydrogen 2.717 N/A LYS 125.O N GLU 134.O O no hydrogen 2.946 N/A ASN 127.O N GLU 131.O O no hydrogen 2.649 N/A LYS 129.O N ASN 127.O OD1 no hydrogen 2.632 N/A GLY 130.O N ASN 127.O O no hydrogen 2.972 N/A GLU 131.O N ASN 127.O OD1 no hydrogen 3.043 N/A SER 133.O N LYS 125.O O no hydrogen 2.894 N/A SER 133.O OG LYS 125.O O no hydrogen 3.523 N/A GLU 134.O N LYS 125.O O no hydrogen 3.131 N/A LYS 135.O N TYR 147.O O no hydrogen 2.925 N/A ILE 136.O N ASP 123.O O no hydrogen 2.823 N/A ILE 137.O N LEU 145.O O no hydrogen 2.715 N/A THR 138.O N LEU 121.O O no hydrogen 2.761 N/A ARG 139.O N THR 143.O O no hydrogen 2.755 N/A ARG 139.O NH1 THR 143.O OG1 no hydrogen 3.121 N/A ARG 139.O NH1 GLU 160.O OE2 no hydrogen 2.924 N/A ARG 139.O NH2 GLU 160.O OE2 no hydrogen 2.549 N/A GLY 142.O N ARG 139.O O no hydrogen 2.908 N/A THR 143.O N ASP 141.O OD1 no hydrogen 2.655 N/A THR 143.O OG1 ASP 141.O OD1 no hydrogen 2.721 N/A THR 143.O OG1 ASN 241.O OD1 no hydrogen 3.038 N/A ARG 144.O N VAL 161.O O no hydrogen 3.134 N/A ARG 144.O NE GLU 146.O OE2 no hydrogen 3.079 N/A ARG 144.O NH2 GLU 146.O OE2 no hydrogen 2.799 N/A LEU 145.O N ILE 137.O O no hydrogen 2.847 N/A GLU 146.O N LYS 159.O O no hydrogen 2.840 N/A TYR 147.O N LYS 135.O O no hydrogen 2.811 N/A TYR 147.O OH THR 176.O OG1 no hydrogen 2.563 N/A THR 148.O N LYS 157.O O no hydrogen 3.104 N/A ILE 150.O N SER 133.O O no hydrogen 2.962 N/A LYS 151.O N SER 155.O O no hydrogen 2.953 N/A GLY 154.O N LYS 151.O O no hydrogen 2.885 N/A SER 155.O N ASP 153.O OD1 no hydrogen 2.789 N/A SER 155.O OG ASP 153.O OD1 no hydrogen 2.691 N/A SER 155.O OG ASP 153.O OD2 no hydrogen 3.399 N/A GLY 156.O N LEU 171.O O no hydrogen 2.879 N/A LYS 157.O N THR 148.O O no hydrogen 2.960 N/A ALA 158.O N GLY 169.O O no hydrogen 2.937 N/A LYS 159.O N GLU 146.O O no hydrogen 2.996 N/A GLU 160.O N LEU 167.O O no hydrogen 2.737 N/A VAL 161.O N ARG 144.O O no hydrogen 2.688 N/A LEU 162.O N TYR 165.O O no hydrogen 3.013 N/A LEU 167.O N GLU 160.O O no hydrogen 2.928 N/A GLY 169.O N ALA 158.O O no hydrogen 2.743 N/A THR 170.O N THR 177.O O no hydrogen 2.664 N/A LEU 171.O N GLY 156.O O no hydrogen 2.942 N/A THR 172.O N LYS 175.O O no hydrogen 2.832 N/A THR 172.O OG1 LYS 175.O O no hydrogen 3.388 N/A GLU 174.O N THR 172.O OG1 no hydrogen 3.208 N/A LYS 175.O N THR 172.O OG1 no hydrogen 3.240 N/A THR 176.O N ILE 191.O O no hydrogen 2.756 N/A THR 176.O OG1 TYR 147.O OH no hydrogen 2.563 N/A THR 177.O N THR 170.O O no hydrogen 2.643 N/A THR 177.O OG1 ASN 190.O OD1 no hydrogen 2.772 N/A LEU 178.O N LYS 189.O O no hydrogen 3.015 N/A VAL 179.O N GLU 168.O O no hydrogen 3.024 N/A VAL 180.O N LEU 187.O O no hydrogen 2.796 N/A GLU 182.O N VAL 185.O O no hydrogen 2.922 N/A THR 184.O OG1 ASP 203.O OD1 no hydrogen 2.684 N/A VAL 185.O N GLU 182.O O no hydrogen 3.096 N/A THR 186.O N ASN 202.O O no hydrogen 2.724 N/A LEU 187.O N VAL 180.O O no hydrogen 2.768 N/A SER 188.O N GLU 200.O O no hydrogen 2.911 N/A LYS 189.O N LEU 178.O O no hydrogen 2.732 N/A LYS 189.O NZ GLU 160.O OE1 no hydrogen 3.006 N/A ASN 190.O N SER 198.O O no hydrogen 2.745 N/A ASN 190.O ND2 GLU 200.O OE1 no hydrogen 2.656 N/A ILE 191.O N THR 176.O O no hydrogen 2.709 N/A SER 192.O N ALA 196.O O no hydrogen 2.904 N/A SER 194.O N SER 192.O OG no hydrogen 3.291 N/A GLY 195.O N SER 192.O O no hydrogen 2.794 N/A ALA 196.O N SER 192.O OG no hydrogen 3.095 N/A SER 198.O N ASN 190.O O no hydrogen 3.027 N/A GLU 200.O N SER 188.O O no hydrogen 2.798 N/A ASN 202.O N THR 186.O O no hydrogen 2.979 N/A THR 204.O N THR 184.O O no hydrogen 3.191 N/A THR 204.O OG1 THR 184.O O no hydrogen 3.462 N/A ASP 205.O N ASP 203.O OD1 no hydrogen 2.928 N/A SER 207.O N ASP 205.O OD1 no hydrogen 2.990 N/A THR 210.O N SER 207.O O no hydrogen 2.974 N/A THR 210.O OG1 ASP 205.O OD2 no hydrogen 2.772 N/A LYS 211.O N SER 207.O O no hydrogen 2.883 N/A LYS 211.O NZ ASP 203.O O no hydrogen 2.913 N/A LYS 211.O NZ ASP 205.O O no hydrogen 3.075 N/A LYS 212.O N ASP 203.O OD2 no hydrogen 2.809 N/A LYS 212.O NZ THR 210.O O no hydrogen 2.939 N/A LYS 212.O NZ LYS 273.O OXT no hydrogen 3.051 N/A THR 213.O N THR 226.O O no hydrogen 3.119 N/A ALA 215.O N THR 224.O O no hydrogen 2.870 N/A TRP 216.O NE1 SER 218.O OG no hydrogen 3.115 N/A ASN 217.O N THR 222.O O no hydrogen 2.835 N/A SER 218.O OG VAL 197.O O no hydrogen 3.483 N/A THR 220.O N ASN 217.O OD1 no hydrogen 2.867 N/A THR 220.O OG1 ASN 217.O O no hydrogen 3.528 N/A SER 221.O N SER 218.O O no hydrogen 3.087 N/A SER 221.O OG PHE 237.O O no hydrogen 2.421 N/A THR 222.O N ASN 217.O O no hydrogen 3.250 N/A THR 222.O OG1 THR 220.O O no hydrogen 2.822 N/A LEU 223.O N LEU 235.O O no hydrogen 2.909 N/A THR 224.O N ALA 215.O O no hydrogen 2.790 N/A THR 224.O OG1 ASP 234.O OD1 no hydrogen 2.414 N/A ILE 225.O N LYS 233.O O no hydrogen 2.782 N/A THR 226.O N THR 213.O O no hydrogen 2.739 N/A VAL 227.O N LYS 230.O O no hydrogen 2.892 N/A LYS 230.O N VAL 227.O O no hydrogen 2.937 N/A THR 232.O N ILE 225.O O no hydrogen 2.832 N/A THR 232.O OG1 ILE 225.O O no hydrogen 3.216 N/A LYS 233.O NZ ALA 271.O O no hydrogen 3.349 N/A ASP 234.O N GLN 246.O O no hydrogen 2.901 N/A LEU 235.O N LEU 223.O O no hydrogen 2.816 N/A VAL 236.O N THR 244.O O no hydrogen 2.973 N/A PHE 237.O N SER 221.O O no hydrogen 2.771 N/A THR 238.O N THR 242.O O no hydrogen 2.793 N/A THR 238.O OG1 THR 242.O O no hydrogen 3.179 N/A THR 238.O OG1 THR 242.O OG1 no hydrogen 2.599 N/A SER 240.O N THR 238.O OG1 no hydrogen 3.219 N/A ASN 241.O N THR 238.O O no hydrogen 2.885 N/A THR 242.O N THR 238.O OG1 no hydrogen 3.185 N/A THR 242.O OG1 THR 238.O OG1 no hydrogen 2.599 N/A THR 242.O OG1 GLU 261.O OE1 no hydrogen 2.653 N/A THR 244.O N VAL 236.O O no hydrogen 2.900 N/A VAL 245.O N VAL 260.O O no hydrogen 2.844 N/A GLN 246.O N ASP 234.O O no hydrogen 3.104 N/A GLN 246.O NE2 GLU 256.O O no hydrogen 3.121 N/A GLN 246.O NE2 GLY 257.O O no hydrogen 3.554 N/A TYR 248.O N THR 232.O O no hydrogen 2.725 N/A TYR 248.O OH ASP 234.O OD1 no hydrogen 3.015 N/A TYR 248.O OH ASP 234.O OD2 no hydrogen 2.630 N/A ASP 249.O N SER 254.O O no hydrogen 2.697 N/A ASN 251.O N ASP 249.O OD1 no hydrogen 2.808 N/A GLY 252.O N ASP 249.O O no hydrogen 2.911 N/A THR 253.O OG1 ASP 249.O OD1 no hydrogen 3.468 N/A THR 253.O OG1 ASP 249.O OD2 no hydrogen 2.891 N/A SER 254.O N ASP 249.O OD2 no hydrogen 2.400 N/A SER 254.O OG LEU 255.O O no hydrogen 2.944 N/A GLU 256.O N GLN 247.O O no hydrogen 2.633 N/A VAL 260.O N VAL 245.O O no hydrogen 2.657 N/A ILE 262.O N ILE 243.O O no hydrogen 2.741 N/A THR 263.O N GLU 267.O OE1 no hydrogen 3.130 N/A GLU 267.O N LYS 264.O O no hydrogen 3.005 N/A LYS 269.O N LEU 265.O O no hydrogen 3.047 N/A LYS 269.O NZ LYS 181.O O no hydrogen 2.826 N/A ASN 270.O N ASP 266.O O no hydrogen 2.990 N/A ALA 271.O N ILE 268.O O no hydrogen 3.057 N/A LEU 272.O N LYS 269.O O no hydrogen 2.940 N/A LYS 273.O N ASN 270.O O no hydrogen 3.295 N/A