Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ARG 79.A O no hydrogen 3.271 N/A ASN 2.A N ASP 108.A OD2 no hydrogen 2.602 N/A LEU 3.A N PHE 81.A O no hydrogen 2.913 N/A VAL 4.A N TYR 109.A O no hydrogen 3.017 N/A LEU 5.A N LEU 83.A O no hydrogen 2.731 N/A MET 6.A N ILE 111.A O no hydrogen 2.800 N/A ALA 11.A N LEU 8.A O no hydrogen 3.014 N/A LYS 13.A NZ GLY 7.A O no hydrogen 2.859 N/A GLN 16.A N GLY 12.A O no hydrogen 2.886 N/A GLY 17.A N LYS 13.A O no hydrogen 2.763 N/A GLU 18.A N GLY 14.A O no hydrogen 3.094 N/A ARG 19.A NH2 THR 15.A O no hydrogen 3.217 N/A ILE 20.A N GLN 16.A O no hydrogen 2.979 N/A VAL 21.A N GLY 17.A O no hydrogen 2.872 N/A GLU 22.A N GLU 18.A O no hydrogen 3.128 N/A ASP 23.A N ARG 19.A O no hydrogen 3.160 N/A ASP 23.A N ILE 20.A O no hydrogen 3.052 N/A TYR 24.A N ILE 20.A O no hydrogen 2.990 N/A GLY 25.A N VAL 21.A O no hydrogen 3.025 N/A HIS 28.A NE2 ASP 84.A OD2 no hydrogen 2.844 N/A ILE 29.A N LEU 82.A O no hydrogen 2.802 N/A THR 31.A N ASP 84.A O no hydrogen 3.371 N/A THR 31.A OG1 GLY 85.A O no hydrogen 3.126 N/A ASP 33.A N SER 30.A OG no hydrogen 3.108 N/A MET 34.A N SER 30.A O no hydrogen 2.937 N/A PHE 35.A N THR 31.A O no hydrogen 2.943 N/A ARG 36.A N GLY 32.A O no hydrogen 3.129 N/A ALA 37.A N ASP 33.A O no hydrogen 3.017 N/A ALA 38.A N MET 34.A O no hydrogen 2.972 N/A MET 39.A N PHE 35.A O no hydrogen 2.833 N/A LYS 40.A N ARG 36.A O no hydrogen 2.877 N/A LYS 40.A NZ TYR 158.A OH no hydrogen 2.952 N/A GLU 41.A N ALA 37.A O no hydrogen 3.201 N/A GLU 42.A N MET 39.A O no hydrogen 3.059 N/A THR 43.A N ALA 38.A O no hydrogen 3.064 N/A THR 43.A OG1 ALA 38.A O no hydrogen 3.058 N/A GLY 46.A N THR 43.A OG1 no hydrogen 3.203 N/A LEU 47.A N THR 43.A O no hydrogen 3.278 N/A GLU 48.A N PRO 44.A O no hydrogen 3.323 N/A ALA 49.A N LEU 45.A O no hydrogen 2.963 N/A LYS 50.A N GLY 46.A O no hydrogen 2.827 N/A LYS 50.A NZ ASP 54.A OD1 no hydrogen 2.770 N/A LYS 50.A NZ ASP 54.A OD2 no hydrogen 3.473 N/A SER 51.A OG LEU 47.A O no hydrogen 3.530 N/A TYR 52.A N ALA 49.A O no hydrogen 2.924 N/A ILE 53.A N ALA 49.A O no hydrogen 2.906 N/A ASP 54.A N LYS 50.A O no hydrogen 2.867 N/A LYS 55.A N TYR 52.A O no hydrogen 3.085 N/A GLY 56.A N ILE 53.A O no hydrogen 2.825 N/A GLU 57.A N TYR 52.A O no hydrogen 2.972 N/A THR 64.A N PRO 60.A O no hydrogen 3.118 N/A THR 64.A OG1 VAL 59.A O no hydrogen 3.343 N/A THR 64.A OG1 PRO 60.A O no hydrogen 3.064 N/A ILE 65.A N ASP 61.A O no hydrogen 2.719 N/A GLY 66.A N GLU 62.A O no hydrogen 3.106 N/A ILE 67.A N VAL 63.A O no hydrogen 3.000 N/A VAL 68.A N THR 64.A O no hydrogen 3.277 N/A LYS 69.A N ILE 65.A O no hydrogen 2.888 N/A GLU 70.A N GLY 66.A O no hydrogen 3.248 N/A ARG 71.A N ILE 67.A O no hydrogen 2.907 N/A ARG 71.A NH1 ARG 71.A O no hydrogen 3.029 N/A ARG 71.A NH1 ASP 76.A OD1 no hydrogen 3.350 N/A ARG 71.A NH1 ASP 76.A OD2 no hydrogen 2.942 N/A ARG 71.A NH2 ASP 76.A OD1 no hydrogen 2.696 N/A LEU 72.A N.A VAL 68.A O no hydrogen 2.836 N/A LEU 72.A N.B VAL 68.A O no hydrogen 2.834 N/A GLY 73.A N GLU 70.A O no hydrogen 2.984 N/A LYS 74.A N ARG 71.A O no hydrogen 3.117 N/A CYS 77.A N LYS 74.A O no hydrogen 3.356 N/A CYS 77.A SG ARG 71.A O no hydrogen 3.822 N/A CYS 77.A SG ASP 76.A OD2 no hydrogen 3.335 N/A GLU 78.A N ASP 75.A O no hydrogen 3.150 N/A GLY 80.A N CYS 77.A O no hydrogen 3.468 N/A PHE 81.A N MET 1.A O no hydrogen 3.090 N/A LEU 82.A N PRO 27.A O no hydrogen 2.938 N/A LEU 83.A N LEU 3.A O no hydrogen 2.777 N/A ASP 84.A N ILE 29.A O no hydrogen 2.791 N/A ARG 88.A NE GLY 85.A O no hydrogen 3.005 N/A ARG 88.A NH1 GLY 85.A O no hydrogen 3.355 N/A THR 89.A OG1 ASP 61.A OD1 no hydrogen 3.533 N/A GLN 92.A N THR 89.A OG1 no hydrogen 3.159 N/A ALA 93.A N THR 89.A O no hydrogen 3.054 N/A GLU 94.A N VAL 90.A O no hydrogen 2.864 N/A ALA 95.A N ALA 91.A O no hydrogen 3.022 N/A LEU 96.A N GLN 92.A O no hydrogen 2.851 N/A GLU 97.A N ALA 93.A O no hydrogen 3.017 N/A GLU 98.A N GLU 94.A O no hydrogen 3.350 N/A ILE 99.A N ALA 95.A O no hydrogen 2.992 N/A LEU 100.A N LEU 96.A O no hydrogen 2.912 N/A GLU 101.A N GLU 97.A O no hydrogen 2.972 N/A GLU 102.A N GLU 98.A O no hydrogen 3.035 N/A TYR 103.A N ILE 99.A O no hydrogen 3.124 N/A TYR 103.A OH LYS 69.A O no hydrogen 2.688 N/A GLY 104.A N GLU 101.A O no hydrogen 3.045 N/A LYS 105.A N LEU 100.A O no hydrogen 2.852 N/A LYS 105.A NZ GLU 78.A O no hydrogen 2.667 N/A ASP 108.A N ASN 2.A O no hydrogen 2.698 N/A TYR 109.A N ASN 2.A O no hydrogen 3.283 N/A VAL 110.A N TYR 191.A O no hydrogen 2.968 N/A ILE 111.A N VAL 4.A O no hydrogen 2.879 N/A ASN 112.A N ALA 193.A O no hydrogen 2.916 N/A ASN 112.A ND2 GLU 114.A OE1 no hydrogen 3.551 N/A ASN 112.A ND2 ASN 194.A OD1 no hydrogen 3.141 N/A ILE 113.A N MET 6.A O no hydrogen 2.838 N/A GLU 114.A N VAL 195.A O no hydrogen 2.960 N/A ASP 118.A N ASP 116.A OD1 no hydrogen 2.686 N/A LEU 120.A N ASP 116.A O no hydrogen 3.038 N/A MET 121.A N LYS 117.A O no hydrogen 2.993 N/A GLU 122.A N ASP 118.A O no hydrogen 3.378 N/A ARG 123.A N VAL 119.A O no hydrogen 3.036 N/A ARG 123.A NH1 GLY 10.A O no hydrogen 3.486 N/A ARG 123.A NH2 GLY 197.A O no hydrogen 2.960 N/A LEU 124.A N LEU 120.A O no hydrogen 3.129 N/A THR 125.A N MET 121.A O no hydrogen 3.316 N/A THR 125.A OG1 MET 121.A O no hydrogen 2.940 N/A ARG 127.A NE ASP 163.A OD2 no hydrogen 2.976 N/A ARG 127.A NH1 ASP 163.A OD1 no hydrogen 2.943 N/A ARG 127.A NH1 ASP 163.A OD2 no hydrogen 3.225 N/A ARG 128.A N TYR 137.A O no hydrogen 2.962 N/A ILE 129.A N TYR 158.A O no hydrogen 2.744 N/A CYS 130.A N THR 135.A O no hydrogen 2.829 N/A CYS 130.A SG ASP 153.A OD1 no hydrogen 3.343 N/A CYS 130.A SG ASP 153.A OD2 no hydrogen 3.679 N/A SER 131.A N GLU 156.A O no hydrogen 3.203 N/A SER 131.A OG GLU 156.A O no hydrogen 2.752 N/A GLY 134.A N CYS 130.A O no hydrogen 3.061 N/A THR 135.A OG1 GLU 18.A OE1 no hydrogen 2.818 N/A THR 135.A OG1 GLU 18.A OE2 no hydrogen 3.007 N/A TYR 137.A N ARG 128.A O no hydrogen 2.685 N/A HIS 138.A N ASN 142.A O no hydrogen 2.843 N/A HIS 138.A NE2 GLU 122.A O no hydrogen 3.001 N/A LEU 139.A N GLY 126.A O no hydrogen 2.894 N/A VAL 140.A N HIS 138.A ND1 no hydrogen 3.046 N/A PHE 141.A N HIS 138.A ND1 no hydrogen 3.128 N/A ASN 142.A N HIS 138.A O no hydrogen 3.013 N/A LYS 145.A N ASP 151.A OD1 no hydrogen 3.079 N/A ILE 149.A N THR 146.A O no hydrogen 3.165 N/A CYS 150.A N GLY 155.A O no hydrogen 2.655 N/A CYS 150.A SG TYR 137.A OH no hydrogen 3.240 N/A CYS 150.A SG ASP 153.A OD1 no hydrogen 3.598 N/A CYS 150.A SG ASP 153.A OD2 no hydrogen 3.904 N/A ASP 151.A N TYR 137.A OH no hydrogen 2.851 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 2.742 N/A LEU 157.A N GLY 148.A O no hydrogen 2.714 N/A TYR 158.A N ILE 129.A O no hydrogen 2.797 N/A ARG 160.A NE ASP 162.A OD1 no hydrogen 2.878 N/A ARG 160.A NH1 ASP 162.A OD1 no hydrogen 3.417 N/A ARG 160.A NH1 ASP 162.A OD2 no hydrogen 2.777 N/A ASP 163.A N ARG 160.A O no hydrogen 2.879 N/A ASN 164.A ND2 ALA 161.A O no hydrogen 3.029 N/A ASN 164.A ND2 THR 167.A OG1 no hydrogen 2.866 N/A THR 167.A N ASN 164.A OD1 no hydrogen 2.971 N/A THR 167.A OG1 ASN 164.A OD1 no hydrogen 2.927 N/A VAL 168.A N ASN 164.A O no hydrogen 2.911 N/A SER 169.A N GLU 165.A O no hydrogen 3.142 N/A LYS 170.A N GLU 166.A O no hydrogen 3.338 N/A ARG 171.A N THR 167.A O no hydrogen 2.988 N/A ARG 171.A NH2 ASP 162.A O no hydrogen 2.785 N/A ARG 171.A NH2 ASP 163.A OD1 no hydrogen 2.828 N/A LEU 172.A N VAL 168.A O no hydrogen 3.081 N/A GLU 173.A N SER 169.A O no hydrogen 3.137 N/A VAL 174.A N LYS 170.A O no hydrogen 2.863 N/A ASN 175.A N ARG 171.A O no hydrogen 3.045 N/A MET 176.A N LEU 172.A O no hydrogen 2.936 N/A LYS 177.A N GLU 173.A O no hydrogen 3.360 N/A GLN 178.A N ASN 175.A O no hydrogen 3.200 N/A THR 179.A N.A MET 176.A O no hydrogen 3.212 N/A THR 179.A N.B MET 176.A O no hydrogen 3.193 N/A THR 179.A OG1.B ASN 175.A O no hydrogen 3.307 N/A THR 179.A OG1.B MET 176.A O no hydrogen 3.254 N/A LEU 183.A N THR 179.A O.A no hydrogen 2.757 N/A LEU 183.A N THR 179.A O.B no hydrogen 2.798 N/A ASP 184.A N GLN 180.A O no hydrogen 2.890 N/A PHE 185.A N PRO 181.A O no hydrogen 3.056 N/A TYR 186.A N LEU 182.A O no hydrogen 3.090 N/A SER 187.A N LEU 183.A O no hydrogen 2.855 N/A GLU 188.A N ASP 184.A O no hydrogen 2.993 N/A LYS 189.A N PHE 185.A O no hydrogen 3.096 N/A LYS 189.A NZ GLU 97.A OE1 no hydrogen 2.752 N/A GLY 190.A N TYR 186.A O no hydrogen 2.908 N/A TYR 191.A N TYR 186.A O no hydrogen 3.071 N/A TYR 191.A OH GLU 97.A OE1 no hydrogen 3.212 N/A LEU 192.A N TYR 186.A O no hydrogen 3.343 N/A ALA 193.A N VAL 110.A O no hydrogen 2.974 N/A VAL 195.A N ASN 112.A O no hydrogen 2.951 N/A ASN 196.A ND2 GLN 198.A O no hydrogen 3.605 N/A GLY 197.A N GLU 114.A O no hydrogen 2.845 N/A GLN 198.A N ASN 196.A OD1 no hydrogen 3.066 N/A ASP 203.A N ASP 200.A OD2 no hydrogen 2.884 N/A VAL 204.A N ASP 200.A O no hydrogen 3.132 N/A TYR 205.A N ILE 201.A O no hydrogen 2.890 N/A ALA 206.A N GLN 202.A O no hydrogen 2.688 N/A ASP 207.A N ASP 203.A O no hydrogen 2.765 N/A VAL 208.A N VAL 204.A O no hydrogen 3.024 N/A LYS 209.A N TYR 205.A O no hydrogen 2.619 N/A LYS 209.A NZ TYR 24.A OH no hydrogen 3.366 N/A ASP 210.A N ALA 206.A O no hydrogen 3.353 N/A LEU 211.A N VAL 208.A O no hydrogen 3.037 N/A