Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 5.A OE1 no hydrogen 3.561 N/A GLU 5.A N ASP 2.A O no hydrogen 2.629 N/A ILE 6.A N VAL 72.A O no hydrogen 3.085 N/A SER 10.A N PRO 7.A O no hydrogen 3.288 N/A SER 10.A OG PRO 7.A O no hydrogen 2.722 N/A ARG 12.A N THR 29.A O no hydrogen 2.830 N/A GLU 14.A N MET 27.A O no hydrogen 3.067 N/A LEU 17.A N VAL 25.A O no hydrogen 2.838 N/A GLY 20.A N GLY 23.A O no hydrogen 3.081 N/A VAL 25.A N GLY 18.A O no hydrogen 3.238 N/A TRP 26.A N ILE 38.A O no hydrogen 2.711 N/A TRP 26.A NE1 GLU 24.A OE1 no hydrogen 2.579 N/A MET 27.A N VAL 15.A O no hydrogen 3.010 N/A GLY 28.A N VAL 36.A O no hydrogen 3.032 N/A TRP 30.A N THR 34.A O no hydrogen 2.953 N/A ASN 31.A N SER 10.A O no hydrogen 2.897 N/A THR 33.A N TRP 30.A O no hydrogen 3.380 N/A THR 33.A OG1 ASN 31.A O no hydrogen 3.058 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.340 N/A VAL 36.A N GLY 28.A O no hydrogen 3.160 N/A ALA 37.A N MET 82.A O no hydrogen 2.825 N/A ILE 38.A N TRP 26.A O no hydrogen 2.690 N/A LYS 39.A N ILE 80.A O no hydrogen 2.824 N/A LYS 39.A NZ GLU 54.A OE1 no hydrogen 2.672 N/A LYS 39.A NZ GLU 54.A OE2 no hydrogen 3.497 N/A THR 40.A N GLU 24.A O no hydrogen 2.611 N/A THR 40.A OG1 GLU 24.A O no hydrogen 2.803 N/A LEU 41.A N ILE 78.A O no hydrogen 3.304 N/A LYS 42.A N PHE 22.A O no hydrogen 2.810 N/A THR 45.A N LYS 42.A O no hydrogen 3.218 N/A THR 45.A OG1 PHE 22.A O no hydrogen 3.428 N/A THR 45.A OG1 LYS 42.A O no hydrogen 2.461 N/A ALA 50.A N SER 47.A O no hydrogen 3.262 N/A PHE 51.A N SER 47.A O no hydrogen 3.030 N/A LEU 52.A N PRO 48.A O no hydrogen 2.816 N/A GLN 53.A N ALA 50.A O no hydrogen 3.327 N/A GLN 53.A NE2 GLU 49.A O no hydrogen 3.412 N/A GLN 56.A N LEU 52.A O no hydrogen 3.075 N/A VAL 57.A N GLN 53.A O no hydrogen 3.020 N/A MET 58.A N GLU 54.A O no hydrogen 2.838 N/A LYS 59.A N ALA 55.A O no hydrogen 2.912 N/A LYS 59.A N GLN 56.A O no hydrogen 3.234 N/A LYS 59.A NZ ASP 2.A OD1 no hydrogen 3.474 N/A LYS 59.A NZ ASP 2.A OD2 no hydrogen 2.896 N/A LYS 60.A N VAL 57.A O no hydrogen 2.802 N/A LEU 61.A N VAL 57.A O no hydrogen 3.002 N/A ARG 62.A N TYR 120.A OH no hydrogen 2.696 N/A LYS 65.A N HIS 63.A ND1 no hydrogen 2.950 N/A LYS 65.A NZ GLN 113.A OE1 no hydrogen 2.754 N/A LEU 66.A N HIS 63.A O no hydrogen 2.960 N/A VAL 67.A N VAL 146.A O no hydrogen 2.967 N/A GLN 68.A NE2 GLU 83.A OE1 no hydrogen 3.118 N/A TYR 70.A N VAL 81.A O no hydrogen 2.610 N/A ALA 71.A N VAL 81.A O no hydrogen 3.223 N/A VAL 72.A N TRP 4.A O no hydrogen 3.040 N/A VAL 73.A N TYR 79.A O no hydrogen 2.880 N/A SER 74.A N GLU 5.A OE2 no hydrogen 2.948 N/A SER 74.A OG GLU 5.A OE1 no hydrogen 2.687 N/A SER 74.A OG GLU 5.A OE2 no hydrogen 3.509 N/A TYR 79.A N VAL 73.A O no hydrogen 2.858 N/A ILE 80.A N LYS 39.A O no hydrogen 3.055 N/A VAL 81.A N ALA 71.A O no hydrogen 2.898 N/A MET 82.A N ALA 37.A O no hydrogen 3.043 N/A GLU 83.A N GLN 68.A O no hydrogen 3.014 N/A SER 86.A OG GLU 140.A OE1 no hydrogen 2.407 N/A LYS 87.A N VAL 138.A O no hydrogen 3.218 N/A LYS 87.A NZ GLY 139.A O no hydrogen 2.714 N/A GLY 88.A N MET 85.A O no hydrogen 3.209 N/A CYS 89.A SG ALA 134.A O no hydrogen 3.269 N/A LEU 90.A N ILE 136.A O no hydrogen 2.482 N/A PHE 93.A N CYS 89.A O no hydrogen 3.303 N/A LEU 94.A N LEU 90.A O no hydrogen 3.026 N/A LYS 95.A N LEU 91.A O no hydrogen 3.224 N/A GLY 96.A N ASP 92.A O no hydrogen 2.813 N/A GLY 99.A N GLY 96.A O no hydrogen 2.906 N/A TYR 101.A N MET 98.A O no hydrogen 3.400 N/A ARG 103.A N GLN 106.A OE1 no hydrogen 2.742 N/A ARG 103.A NH2 LYS 100.A O no hydrogen 2.726 N/A LEU 104.A N LEU 261.A OXT no hydrogen 3.385 N/A LEU 107.A N ARG 103.A O no hydrogen 3.036 N/A VAL 108.A N LEU 104.A O no hydrogen 3.026 N/A ASP 109.A N PRO 105.A O no hydrogen 3.359 N/A MET 110.A N GLN 106.A O no hydrogen 2.829 N/A ALA 111.A N LEU 107.A O no hydrogen 2.930 N/A ALA 112.A N VAL 108.A O no hydrogen 2.654 N/A GLN 113.A N ASP 109.A O no hydrogen 3.127 N/A GLN 113.A N MET 110.A O no hydrogen 2.963 N/A GLN 113.A NE2 ASP 109.A O no hydrogen 3.582 N/A GLN 113.A NE2 LEU 142.A O no hydrogen 2.832 N/A ILE 114.A N MET 110.A O no hydrogen 3.006 N/A ALA 115.A N ALA 111.A O no hydrogen 2.877 N/A SER 116.A N ALA 112.A O no hydrogen 3.042 N/A GLY 117.A N GLN 113.A O no hydrogen 3.071 N/A MET 118.A N ILE 114.A O no hydrogen 2.764 N/A ALA 119.A N ALA 115.A O no hydrogen 2.621 N/A TYR 120.A N SER 116.A O no hydrogen 3.233 N/A TYR 120.A OH LYS 60.A O no hydrogen 3.333 N/A VAL 121.A N GLY 117.A O no hydrogen 3.215 N/A GLU 122.A N MET 118.A O no hydrogen 2.893 N/A ARG 123.A N ALA 119.A O no hydrogen 2.843 N/A MET 124.A N TYR 120.A O no hydrogen 2.713 N/A ASN 125.A N GLU 122.A O no hydrogen 2.637 N/A TYR 126.A N VAL 121.A O no hydrogen 2.979 N/A HIS 128.A N ASP 172.A OD2 no hydrogen 2.344 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 3.128 N/A ARG 129.A N ASP 172.A OD1 no hydrogen 2.645 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.906 N/A ARG 132.A NH2 ASP 130.A OD2 no hydrogen 2.755 N/A ALA 133.A N GLU 182.A OE2 no hydrogen 3.234 N/A ASN 135.A N ARG 132.A O no hydrogen 2.699 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 3.043 N/A ILE 136.A N ALA 133.A O no hydrogen 2.787 N/A LEU 137.A N LYS 145.A O no hydrogen 3.009 N/A VAL 138.A N GLY 88.A O no hydrogen 3.076 N/A GLY 139.A N VAL 143.A O no hydrogen 2.581 N/A CYS 144.A N GLN 113.A OE1 no hydrogen 3.091 N/A LYS 145.A N LEU 137.A O no hydrogen 2.856 N/A LYS 145.A NZ GLU 64.A O no hydrogen 3.388 N/A LYS 145.A NZ GLU 83.A OE1 no hydrogen 2.638 N/A VAL 146.A N LYS 65.A O no hydrogen 2.755 N/A ALA 147.A N ASN 135.A O no hydrogen 3.035 N/A PHE 149.A N ASN 135.A OD1 no hydrogen 2.888 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 2.858 N/A LYS 155.A NZ PRO 190.A O no hydrogen 3.319 N/A LYS 155.A NZ MET 194.A O no hydrogen 3.256 N/A TRP 156.A N PRO 153.A O no hydrogen 2.997 N/A TRP 156.A NE1 GLU 182.A OE2 no hydrogen 2.619 N/A THR 157.A N ILE 154.A O no hydrogen 3.264 N/A THR 157.A OG1 PRO 153.A O no hydrogen 2.587 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.828 N/A ALA 161.A N ALA 158.A O no hydrogen 2.825 N/A ALA 162.A N ALA 158.A O no hydrogen 3.028 N/A LEU 163.A N PRO 159.A O no hydrogen 2.817 N/A TYR 164.A N GLU 160.A O no hydrogen 3.129 N/A GLY 165.A N ALA 161.A O no hydrogen 3.102 N/A ARG 166.A N GLU 160.A O no hydrogen 3.336 N/A THR 168.A N SER 171.A OG no hydrogen 2.513 N/A LYS 170.A NZ ARG 234.A O no hydrogen 2.488 N/A SER 171.A N THR 168.A O no hydrogen 2.813 N/A SER 171.A N THR 168.A OG1 no hydrogen 3.224 N/A SER 171.A OG THR 168.A O no hydrogen 2.810 N/A ASP 172.A N THR 168.A O no hydrogen 3.063 N/A VAL 173.A N ILE 169.A O no hydrogen 3.013 N/A TRP 174.A N LYS 170.A O no hydrogen 3.410 N/A SER 175.A N SER 171.A O no hydrogen 2.941 N/A SER 175.A OG TRP 156.A O no hydrogen 2.429 N/A PHE 176.A N ASP 172.A O no hydrogen 3.083 N/A GLY 177.A N VAL 173.A O no hydrogen 3.126 N/A ILE 178.A N TRP 174.A O no hydrogen 3.162 N/A LEU 179.A N SER 175.A O no hydrogen 2.832 N/A LEU 180.A N PHE 176.A O no hydrogen 2.899 N/A THR 181.A N ILE 178.A O no hydrogen 2.761 N/A THR 181.A OG1 ILE 178.A O no hydrogen 2.791 N/A GLU 182.A N ILE 178.A O no hydrogen 3.189 N/A LEU 183.A N LEU 179.A O no hydrogen 3.030 N/A THR 184.A N THR 181.A O no hydrogen 3.071 N/A THR 184.A OG1 LEU 180.A O no hydrogen 2.432 N/A THR 184.A OG1 THR 181.A O no hydrogen 3.175 N/A THR 185.A N GLU 182.A O no hydrogen 3.414 N/A THR 185.A OG1 THR 181.A O no hydrogen 2.938 N/A LYS 186.A NZ GLY 99.A O no hydrogen 3.227 N/A LYS 186.A NZ LEU 102.A O no hydrogen 3.262 N/A LYS 186.A NZ ASN 260.A O no hydrogen 2.940 N/A GLY 187.A N GLU 182.A O no hydrogen 2.393 N/A ARG 188.A N THR 185.A O no hydrogen 3.402 N/A ARG 188.A N THR 185.A OG1 no hydrogen 3.205 N/A MET 194.A N TYR 191.A O no hydrogen 3.079 N/A VAL 195.A N GLU 198.A OE1 no hydrogen 3.092 N/A GLU 198.A N VAL 195.A O no hydrogen 2.655 N/A VAL 199.A N VAL 195.A O no hydrogen 3.370 N/A VAL 199.A N ASN 196.A O no hydrogen 2.817 N/A LEU 200.A N ASN 196.A O no hydrogen 3.254 N/A ASP 201.A N ARG 197.A O no hydrogen 3.301 N/A GLN 202.A N GLU 198.A O no hydrogen 2.687 N/A VAL 203.A N VAL 199.A O no hydrogen 2.584 N/A GLU 204.A N LEU 200.A O no hydrogen 3.072 N/A ARG 205.A N ASP 201.A O no hydrogen 3.326 N/A GLY 206.A N VAL 203.A O no hydrogen 2.997 N/A TYR 207.A N GLN 202.A O no hydrogen 3.229 N/A ARG 208.A NE TRP 227.A O no hydrogen 2.864 N/A ARG 208.A NH1 VAL 203.A O no hydrogen 3.274 N/A ARG 208.A NH1 TYR 207.A O no hydrogen 2.823 N/A ARG 208.A NH2 TRP 227.A O no hydrogen 2.716 N/A CYS 211.A SG PRO 212.A O no hydrogen 3.745 N/A CYS 211.A SG CYS 215.A O no hydrogen 3.008 N/A CYS 211.A SG PRO 216.A O no hydrogen 4.042 N/A CYS 211.A SG GLU 217.A OE1 no hydrogen 3.750 N/A CYS 215.A N PRO 212.A O no hydrogen 2.897 N/A CYS 215.A SG PRO 216.A O no hydrogen 3.371 N/A SER 218.A OG TYR 247.A OH no hydrogen 2.818 N/A SER 218.A OG GLU 252.A OE1 no hydrogen 2.669 N/A LEU 219.A N PRO 216.A O no hydrogen 3.106 N/A HIS 220.A N PRO 216.A O no hydrogen 3.231 N/A HIS 220.A ND1 GLU 217.A OE2 no hydrogen 3.076 N/A HIS 220.A NE2 MET 209.A O no hydrogen 2.531 N/A ASP 221.A N GLU 217.A O no hydrogen 2.845 N/A LEU 222.A N SER 218.A O no hydrogen 3.266 N/A MET 223.A N LEU 219.A O no hydrogen 2.921 N/A CYS 224.A N HIS 220.A O no hydrogen 2.743 N/A CYS 224.A SG HIS 220.A O no hydrogen 3.632 N/A GLN 225.A N ASP 221.A O no hydrogen 2.940 N/A GLN 225.A NE2 ASP 221.A O no hydrogen 3.122 N/A CYS 226.A N LEU 222.A O no hydrogen 3.131 N/A CYS 226.A SG VAL 173.A O no hydrogen 3.825 N/A CYS 226.A SG LEU 222.A O no hydrogen 3.403 N/A TRP 227.A N CYS 224.A O no hydrogen 3.005 N/A ARG 228.A N GLN 225.A O no hydrogen 3.286 N/A ARG 228.A NH1 GLU 233.A O no hydrogen 3.039 N/A LYS 229.A NZ GLU 204.A OE1 no hydrogen 3.382 N/A GLU 232.A N ASP 230.A OD1 no hydrogen 3.388 N/A GLU 233.A N ASP 230.A O no hydrogen 2.896 N/A ARG 234.A N PRO 231.A O no hydrogen 3.159 N/A ARG 234.A NE ARG 228.A O no hydrogen 2.872 N/A ARG 234.A NH1 GLU 160.A OE2 no hydrogen 2.603 N/A ARG 234.A NH1 LYS 170.A O no hydrogen 2.689 N/A ARG 234.A NH2 GLU 160.A OE1 no hydrogen 2.886 N/A ARG 234.A NH2 GLU 160.A OE2 no hydrogen 3.292 N/A ARG 234.A NH2 ARG 228.A O no hydrogen 2.979 N/A PHE 237.A N GLU 122.A OE1 no hydrogen 3.114 N/A PHE 237.A N GLU 122.A OE2 no hydrogen 2.977 N/A GLU 238.A N GLU 122.A OE1 no hydrogen 3.349 N/A TYR 239.A N THR 236.A OG1 no hydrogen 2.980 N/A LEU 240.A N THR 236.A O no hydrogen 2.939 N/A GLN 241.A N PHE 237.A O no hydrogen 2.611 N/A GLN 241.A NE2 GLU 245.A OE2 no hydrogen 3.098 N/A ALA 242.A N GLU 238.A O no hydrogen 3.173 N/A PHE 243.A N TYR 239.A O no hydrogen 2.876 N/A LEU 244.A N LEU 240.A O no hydrogen 3.244 N/A LEU 244.A N GLN 241.A O no hydrogen 3.265 N/A GLU 245.A N GLN 241.A O no hydrogen 2.977 N/A ASP 246.A N ALA 242.A O no hydrogen 2.968 N/A TYR 247.A N LEU 244.A O no hydrogen 3.265 N/A TYR 247.A OH SER 218.A OG no hydrogen 2.818 N/A THR 249.A N ASP 246.A O no hydrogen 3.171 N/A SER 250.A N ASP 246.A O no hydrogen 3.012 N/A THR 251.A N TYR 247.A O no hydrogen 3.045 N/A GLU 252.A N TYR 247.A O no hydrogen 2.703 N/A TYR 255.A N GLU 252.A O no hydrogen 3.226 N/A TYR 255.A OH LEU 261.A OXT no hydrogen 2.596 N/A GLY 258.A N LEU 261.A O no hydrogen 2.985 N/A ASN 260.A N GLU 214.A OE2 no hydrogen 2.818 N/A ASN 260.A ND2 GLU 214.A OE1 no hydrogen 3.194 N/A LEU 261.A N GLU 214.A OE2 no hydrogen 3.150 N/A