Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pay_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASN 141.A OD1 no hydrogen 2.886 N/A ASP 4.A N PRO 11.A O no hydrogen 2.983 N/A SER 5.A N PRO 137.A O no hydrogen 2.662 N/A SER 5.A OG PRO 137.A O no hydrogen 3.559 N/A ILE 6.A N ASP 4.A OD1 no hydrogen 3.044 N/A ARG 7.A N ASP 4.A OD1 no hydrogen 3.215 N/A CYS 13.A N SER 5.A OG no hydrogen 2.831 N/A CYS 13.A SG LEU 136.A O no hydrogen 3.562 N/A CYS 13.A SG PRO 137.A O no hydrogen 3.341 N/A GLU 14.A N HIS 142.A ND1 no hydrogen 3.096 N/A LEU 15.A N THR 67.A OG1 no hydrogen 3.035 N/A TRP 16.A N LYS 143.A O no hydrogen 2.742 N/A TRP 16.A NE1 GLU 14.A OE1 no hydrogen 2.865 N/A GLU 18.A N TYR 145.A O no hydrogen 2.877 N/A PHE 19.A N ASN 63.A O no hydrogen 2.834 N/A VAL 20.A N VAL 147.A O no hydrogen 2.810 N/A PHE 21.A N ASP 28.A OD1 no hydrogen 2.782 N/A ASN 24.A ND2 ALA 27.A O no hydrogen 2.937 N/A TYR 26.A N ASN 24.A O no hydrogen 3.205 N/A ALA 29.A N PHE 21.A O no hydrogen 2.813 N/A PHE 30.A N ASP 28.A OD1 no hydrogen 3.257 N/A GLN 33.A N ALA 29.A O no hydrogen 3.410 N/A VAL 34.A N PHE 30.A O no hydrogen 3.121 N/A LYS 35.A N SER 82.A OG no hydrogen 2.848 N/A VAL 37.A N VAL 54.A O no hydrogen 2.767 N/A ASP 38.A N VAL 80.A O no hydrogen 2.768 N/A VAL 39.A N LYS 52.A O no hydrogen 2.763 N/A LEU 40.A N LEU 78.A O no hydrogen 2.734 N/A VAL 41.A N PHE 50.A O no hydrogen 2.881 N/A PHE 42.A N LYS 76.A O no hydrogen 2.769 N/A ASP 43.A N LYS 47.A O no hydrogen 2.906 N/A ASP 45.A N ASP 43.A OD1 no hydrogen 2.853 N/A ASP 46.A N ASP 43.A O no hydrogen 2.967 N/A LYS 47.A N ASP 43.A OD1 no hydrogen 3.139 N/A LEU 48.A N THR 102.A O no hydrogen 2.750 N/A LEU 49.A N VAL 41.A O no hydrogen 2.793 N/A LYS 52.A N VAL 39.A O no hydrogen 2.798 N/A SER 53.A OG ASP 38.A OD2 no hydrogen 2.450 N/A VAL 54.A N VAL 37.A O no hydrogen 2.875 N/A VAL 56.A N LYS 35.A O no hydrogen 3.128 N/A ALA 58.A N LYS 55.A O no hydrogen 2.759 N/A LEU 59.A N VAL 56.A O no hydrogen 2.973 N/A VAL 60.A N ARG 64.A O no hydrogen 2.904 N/A GLY 62.A N LEU 59.A O no hydrogen 3.012 N/A ASN 63.A N VAL 60.A O no hydrogen 3.459 N/A ARG 64.A N VAL 60.A O no hydrogen 3.016 N/A ARG 64.A NE GLU 18.A OE1 no hydrogen 2.886 N/A LEU 66.A N LEU 15.A O no hydrogen 2.947 N/A GLU 69.A N LEU 66.A O no hydrogen 3.239 N/A LEU 70.A N LEU 66.A O no hydrogen 2.971 N/A GLY 73.A N HIS 135.A O no hydrogen 2.995 N/A SER 74.A OG ASP 134.A OD1 no hydrogen 2.660 N/A TYR 75.A N VAL 133.A O no hydrogen 2.738 N/A TYR 75.A OH ASP 71.A O no hydrogen 2.685 N/A LYS 76.A N PHE 42.A O no hydrogen 3.115 N/A LYS 76.A NZ ASP 46.A OD1 no hydrogen 3.362 N/A VAL 77.A N VAL 131.A O no hydrogen 2.888 N/A LEU 78.A N LEU 40.A O no hydrogen 2.926 N/A THR 79.A N GLY 128.A O no hydrogen 3.146 N/A VAL 80.A N ASP 38.A O no hydrogen 3.012 N/A GLY 81.A N TYR 126.A O no hydrogen 2.856 N/A SER 82.A N SER 36.A O no hydrogen 2.861 N/A PHE 87.A N SER 84.A O no hydrogen 3.109 N/A ARG 88.A N SER 110.A O no hydrogen 2.813 N/A SER 90.A N ILE 108.A O no hydrogen 3.001 N/A SER 90.A OG ASP 91.A O no hydrogen 3.005 N/A ASP 91.A N ASN 95.A O no hydrogen 2.803 N/A ALA 93.A N ASP 91.A OD1 no hydrogen 2.898 N/A GLY 94.A N ASP 91.A O no hydrogen 2.956 N/A ASN 95.A N ASP 91.A OD1 no hydrogen 2.962 N/A VAL 98.A N THR 102.A OG1 no hydrogen 2.702 N/A GLY 100.A N LEU 48.A O no hydrogen 2.604 N/A THR 101.A N VAL 98.A O no hydrogen 2.956 N/A THR 102.A N VAL 98.A O no hydrogen 2.837 N/A THR 102.A OG1 VAL 98.A O no hydrogen 3.324 N/A THR 103.A N GLN 106.A OE1 no hydrogen 3.014 N/A LEU 104.A N ASP 46.A O no hydrogen 2.930 N/A GLN 105.A NE2 ASP 46.A OD2 no hydrogen 3.221 N/A GLN 106.A N THR 103.A O no hydrogen 3.244 N/A VAL 107.A N LEU 104.A O no hydrogen 2.895 N/A ILE 108.A N SER 90.A O no hydrogen 2.966 N/A VAL 109.A N TYR 179.A O no hydrogen 2.984 N/A SER 110.A N ARG 88.A O no hydrogen 2.781 N/A LEU 111.A N ALA 177.A O no hydrogen 2.957 N/A LYS 112.A N.A ARG 86.A O no hydrogen 3.156 N/A LYS 112.A N.B ARG 86.A O no hydrogen 3.149 N/A ARG 113.A NH2 ASN 176.A O no hydrogen 2.634 N/A VAL 118.A N THR 192.A O no hydrogen 2.919 N/A PHE 122.A N ASN 206.A OD1 no hydrogen 2.749 N/A HIS 124.A ND1 THR 153.A OG1 no hydrogen 2.725 N/A LEU 125.A N THR 153.A OG1 no hydrogen 2.956 N/A TYR 126.A N GLY 81.A O no hydrogen 2.933 N/A PHE 127.A N ILE 150.A O no hydrogen 2.740 N/A GLY 128.A N THR 79.A O no hydrogen 2.814 N/A VAL 131.A N VAL 77.A O no hydrogen 2.957 N/A VAL 133.A N TYR 75.A O no hydrogen 2.762 N/A ASP 134.A N TYR 145.A OH no hydrogen 2.997 N/A HIS 135.A N GLY 73.A O no hydrogen 2.912 N/A ASN 141.A N THR 140.A OG1 no hydrogen 2.819 N/A LYS 143.A N GLU 14.A O no hydrogen 2.825 N/A LYS 143.A NZ ASP 134.A O no hydrogen 3.468 N/A LYS 143.A NZ THR 140.A OG1 no hydrogen 2.749 N/A LYS 143.A NZ ASN 141.A O no hydrogen 3.516 N/A TYR 145.A N TRP 16.A O no hydrogen 2.851 N/A VAL 147.A N GLU 18.A O no hydrogen 2.719 N/A LEU 149.A N VAL 20.A O no hydrogen 2.782 N/A ILE 150.A N PHE 127.A O no hydrogen 2.840 N/A ARG 151.A NE TYR 126.A OH no hydrogen 3.339 N/A ARG 151.A NH2 TYR 126.A OH no hydrogen 3.203 N/A ASP 152.A N LEU 125.A O no hydrogen 2.834 N/A THR 153.A OG1 HIS 124.A ND1 no hydrogen 2.725 N/A ASN 154.A N THR 207.A O no hydrogen 3.135 N/A ARG 155.A N SER 262.A O no hydrogen 2.649 N/A ARG 155.A NE SER 262.A O no hydrogen 3.490 N/A ARG 155.A NH2 SER 262.A OG no hydrogen 2.820 N/A PHE 156.A N LEU 205.A O no hydrogen 2.696 N/A ASN 157.A N TRP 264.A O no hydrogen 2.773 N/A ASN 157.A ND2 TRP 264.A O no hydrogen 3.459 N/A LEU 158.A N ALA 203.A O no hydrogen 2.723 N/A ALA 159.A N LEU 266.A O no hydrogen 2.900 N/A TYR 162.A N VAL 270.A O no hydrogen 2.841 N/A ASN 165.A N TYR 162.A O no hydrogen 2.974 N/A ASN 165.A ND2 TYR 162.A O no hydrogen 2.683 N/A TYR 167.A OH GLU 272.A OE2 no hydrogen 2.809 N/A TYR 167.A OH GLY 276.A O no hydrogen 3.183 N/A THR 168.A N ARG 222.A O no hydrogen 2.871 N/A ILE 171.A N TYR 193.A O no hydrogen 2.908 N/A GLN 172.A N LYS 218.A O no hydrogen 2.902 N/A ALA 173.A N ILE 191.A O no hydrogen 2.813 N/A GLU 175.A N ALA 173.A O no hydrogen 2.927 N/A ASN 176.A ND2 THR 186.A OG1 no hydrogen 2.794 N/A ALA 177.A N GLU 175.A OE1 no hydrogen 3.009 N/A VAL 178.A N ASN 176.A OD1 no hydrogen 3.393 N/A TYR 179.A N VAL 109.A O no hydrogen 3.076 N/A TYR 179.A OH GLU 175.A OE1 no hydrogen 2.655 N/A SER 180.A N GLU 184.A O no hydrogen 2.874 N/A SER 180.A OG GLU 184.A O no hydrogen 3.246 N/A GLU 182.A N SER 180.A OG no hydrogen 3.384 N/A ASN 183.A N SER 180.A O no hydrogen 3.030 N/A ASN 183.A ND2 ASP 152.A OD1 no hydrogen 2.774 N/A GLU 184.A N SER 180.A OG no hydrogen 3.386 N/A THR 186.A N VAL 178.A O no hydrogen 2.826 N/A ILE 191.A N ALA 173.A O no hydrogen 2.914 N/A TYR 193.A N ILE 171.A O no hydrogen 2.756 N/A TYR 193.A OH GLU 175.A OE2 no hydrogen 2.622 N/A VAL 194.A N VAL 118.A O no hydrogen 2.984 N/A TYR 196.A N ARG 204.A O no hydrogen 2.854 N/A TYR 197.A N ARG 204.A O no hydrogen 3.393 N/A VAL 201.A N LEU 160.A O no hydrogen 2.878 N/A ALA 203.A N LEU 158.A O no hydrogen 2.791 N/A LEU 205.A N PHE 156.A O no hydrogen 3.060 N/A ASN 206.A ND2 PHE 120.A O no hydrogen 2.837 N/A ASN 206.A ND2 ASN 206.A O no hydrogen 2.824 N/A THR 207.A N ASN 154.A O no hydrogen 2.855 N/A ARG 208.A N TYR 179.A OH no hydrogen 3.279 N/A ARG 208.A NH1 ASN 183.A O no hydrogen 2.713 N/A ARG 208.A NH2 ASP 259.A OD1 no hydrogen 3.068 N/A LEU 210.A N TYR 217.A OH no hydrogen 3.038 N/A ASN 211.A N GLN 255.A OE1 no hydrogen 2.871 N/A ARG 212.A NH1 GLU 184.A OE1 no hydrogen 2.574 N/A ARG 212.A NH2 GLU 184.A OE1 no hydrogen 3.100 N/A ARG 212.A NH2 GLU 184.A OE2 no hydrogen 2.849 N/A TRP 215.A N ARG 212.A O no hydrogen 3.187 N/A TYR 217.A OH ARG 208.A O no hydrogen 2.879 N/A LYS 218.A N GLN 172.A O no hydrogen 2.845 N/A LYS 218.A NZ GLN 172.A OE1 no hydrogen 3.554 N/A PHE 219.A N TYR 233.A O no hydrogen 2.815 N/A ILE 220.A N GLU 170.A O no hydrogen 2.973 N/A ILE 221.A N TRP 231.A O no hydrogen 2.975 N/A ARG 222.A N THR 168.A O no hydrogen 2.936 N/A ARG 222.A NE GLU 170.A OE1 no hydrogen 2.775 N/A ARG 222.A NE GLU 170.A OE2 no hydrogen 3.048 N/A ARG 222.A NH1 GLU 227.A O no hydrogen 2.942 N/A ARG 222.A NH2 GLU 170.A OE2 no hydrogen 3.097 N/A ASP 223.A N ALA 228.A O no hydrogen 2.880 N/A ALA 224.A N GLN 166.A O no hydrogen 2.845 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 3.168 N/A THR 226.A N ASP 223.A OD1 no hydrogen 3.325 N/A GLU 227.A N ASP 223.A O no hydrogen 2.732 N/A VAL 230.A N ILE 221.A O no hydrogen 2.993 N/A TRP 231.A N ILE 221.A O no hydrogen 3.369 N/A TYR 233.A N PHE 219.A O no hydrogen 2.905 N/A TYR 233.A OH GLU 295.A OE2 no hydrogen 2.650 N/A LEU 235.A N TYR 217.A O no hydrogen 3.089 N/A LEU 237.A N ASN 234.A O no hydrogen 3.245 N/A LEU 238.A N LEU 235.A O no hydrogen 2.895 N/A SER 239.A N THR 236.A O no hydrogen 3.221 N/A SER 239.A OG THR 236.A O no hydrogen 2.668 N/A ARG 242.A N.A SER 239.A O no hydrogen 3.492 N/A ARG 242.A N.B SER 239.A O no hydrogen 3.492 N/A ARG 242.A NH1.A SER 239.A O no hydrogen 3.404 N/A ARG 242.A NH1.B LEU 252.A O no hydrogen 2.881 N/A ARG 242.A NH2.B LEU 252.A O no hydrogen 3.038 N/A ARG 246.A N THR 250.A O no hydrogen 2.690 N/A ARG 246.A NE GLU 256.A OE1 no hydrogen 3.129 N/A ARG 246.A NE GLU 256.A OE2 no hydrogen 2.938 N/A ARG 246.A NH1 THR 250.A OG1 no hydrogen 2.804 N/A ARG 246.A NH2 GLU 256.A OE1 no hydrogen 2.718 N/A GLY 249.A N ARG 246.A O no hydrogen 2.999 N/A THR 250.A N ASP 248.A OD1 no hydrogen 3.134 N/A THR 250.A OG1 ASP 248.A OD1 no hydrogen 2.705 N/A LEU 252.A N VAL 244.A O no hydrogen 2.739 N/A GLN 255.A NE2 LEU 209.A O no hydrogen 2.982 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 3.147 N/A GLN 255.A NE2 ASP 259.A OD2 no hydrogen 3.330 N/A TYR 257.A N PRO 253.A O no hydrogen 3.044 N/A LEU 258.A N PHE 254.A O no hydrogen 2.976 N/A ASP 259.A N GLN 255.A O no hydrogen 3.051 N/A ARG 260.A N GLU 256.A O no hydrogen 2.787 N/A ARG 260.A NE GLU 256.A OE2 no hydrogen 2.648 N/A ARG 260.A NH1 ASP 22.A O no hydrogen 3.181 N/A ARG 260.A NH1 ASN 24.A O no hydrogen 2.765 N/A ARG 260.A NH2 GLU 256.A OE2 no hydrogen 3.026 N/A GLN 261.A N TYR 257.A O no hydrogen 2.785 N/A TRP 264.A N ARG 155.A O no hydrogen 2.768 N/A TRP 264.A NE1 ASN 154.A OD1 no hydrogen 3.089 N/A LEU 266.A N ASN 157.A O no hydrogen 2.897 N/A PHE 268.A N ALA 159.A O no hydrogen 2.826 N/A THR 269.A N GLY 282.A O no hydrogen 2.983 N/A VAL 271.A N GLN 280.A O no hydrogen 2.881 N/A LYS 273.A N GLY 277.A O no hydrogen 3.123 N/A GLY 276.A N LYS 273.A O no hydrogen 2.938 N/A LEU 279.A N VAL 271.A O no hydrogen 2.726 N/A GLN 280.A N VAL 271.A O no hydrogen 3.419 N/A GLY 282.A N THR 269.A O no hydrogen 3.303 N/A ILE 283.A N HIS 290.A O no hydrogen 2.862 N/A VAL 284.A N VAL 267.A O no hydrogen 2.749 N/A VAL 285.A N TRP 288.A O no hydrogen 3.065 N/A TRP 288.A N VAL 285.A O no hydrogen 3.388 N/A HIS 290.A N ILE 283.A O no hydrogen 2.986 N/A LEU 292.A N ILE 281.A O no hydrogen 2.777 N/A GLY 294.A N TYR 233.A OH no hydrogen 3.016 N/A