Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N TYR 15.A O no hydrogen 2.847 N/A HIS 5.A NE2 ASP 12.A OD1 no hydrogen 2.533 N/A ILE 6.A N SER 13.A O no hydrogen 2.802 N/A ALA 8.A N LEU 11.A O no hydrogen 3.274 N/A LEU 11.A N ALA 8.A O no hydrogen 3.032 N/A ASP 12.A N THR 176.A OG1 no hydrogen 2.907 N/A SER 13.A N ILE 6.A O no hydrogen 3.003 N/A SER 14.A N MET 171.A O no hydrogen 2.914 N/A TYR 15.A N ARG 4.A O no hydrogen 2.932 N/A THR 16.A N LEU 169.A O no hydrogen 2.965 N/A THR 16.A OG1 SER 2.A O no hydrogen 2.704 N/A LEU 18.A N GLY 167.A O no hydrogen 2.933 N/A PHE 19.A N GLY 167.A O no hydrogen 2.992 N/A LYS 21.A NZ ASP 25.A OD2 no hydrogen 2.903 N/A ALA 24.A N GLY 20.A O no hydrogen 2.795 N/A ASP 25.A N LYS 21.A O no hydrogen 2.769 N/A GLU 26.A N ALA 22.A O no hydrogen 3.104 N/A ILE 27.A N GLU 23.A O no hydrogen 2.894 N/A PHE 28.A N ALA 24.A O no hydrogen 2.922 N/A GLN 29.A N ASP 25.A O no hydrogen 3.079 N/A GLU 30.A N.A GLU 26.A O no hydrogen 3.032 N/A GLU 30.A N.B GLU 26.A O no hydrogen 3.037 N/A LEU 31.A N ILE 27.A O no hydrogen 2.802 N/A GLU 32.A N PHE 28.A O no hydrogen 2.928 N/A LYS 33.A N GLN 29.A O no hydrogen 3.111 N/A GLU 34.A N GLU 30.A O.A no hydrogen 2.972 N/A GLU 34.A N GLU 30.A O.B no hydrogen 2.915 N/A VAL 35.A N LEU 31.A O no hydrogen 2.997 N/A GLU 36.A N TYR 61.A OH no hydrogen 3.007 N/A PHE 38.A N GLN 58.A O no hydrogen 2.788 N/A ALA 43.A N GLY 40.A O no hydrogen 2.920 N/A ARG 44.A N ALA 41.A O no hydrogen 3.016 N/A ARG 44.A NH2 SER 53.A OG no hydrogen 3.072 N/A VAL 45.A N HIS 52.A O no hydrogen 2.858 N/A VAL 47.A N LYS 50.A O no hydrogen 2.824 N/A LYS 50.A N VAL 47.A O no hydrogen 3.060 N/A HIS 52.A N VAL 45.A O no hydrogen 2.835 N/A VAL 54.A N ALA 43.A O no hydrogen 2.886 N/A ARG 56.A N VAL 54.A O no hydrogen 2.877 N/A ARG 56.A NE ASN 105.A OD1 no hydrogen 2.888 N/A ARG 56.A NH2 HIS 113.A O no hydrogen 3.041 N/A LYS 57.A N ARG 106.A O no hydrogen 2.924 N/A GLN 58.A NE2 ASN 105.A OD1 no hydrogen 2.865 N/A ALA 59.A N ILE 104.A O no hydrogen 3.008 N/A THR 60.A OG1 TYR 68.A OH no hydrogen 2.674 N/A TYR 61.A N VAL 102.A O no hydrogen 3.103 N/A GLY 62.A N LYS 78.A O no hydrogen 3.018 N/A ASP 63.A N ASN 100.A O no hydrogen 2.912 N/A TYR 68.A N LEU 75.A O no hydrogen 2.821 N/A TYR 68.A OH THR 60.A OG1 no hydrogen 2.674 N/A THR 69.A N GLU 123.A OE1 no hydrogen 3.074 N/A THR 69.A OG1 GLU 123.A OE1 no hydrogen 3.337 N/A PHE 70.A N.A LEU 73.A O no hydrogen 3.016 N/A PHE 70.A N.B LEU 73.A O no hydrogen 3.046 N/A SER 71.A OG PHE 70.A O.A no hydrogen 2.748 N/A LEU 73.A N PHE 70.A O.A no hydrogen 3.128 N/A LEU 73.A N PHE 70.A O.B no hydrogen 2.660 N/A LEU 75.A N TYR 68.A O no hydrogen 2.788 N/A LYS 78.A N THR 60.A O no hydrogen 2.962 N/A LYS 78.A NZ GLU 36.A OE1 no hydrogen 3.495 N/A TRP 80.A NE1 ASP 63.A OD1 no hydrogen 2.788 N/A LEU 84.A N ILE 81.A O no hydrogen 2.985 N/A GLU 85.A N ILE 81.A O no hydrogen 3.080 N/A ARG 86.A N PRO 82.A O no hydrogen 2.771 N/A ARG 86.A NH2 GLU 23.A OE2 no hydrogen 3.093 N/A ARG 86.A NH2 GLU 26.A OE1 no hydrogen 3.464 N/A ILE 87.A N VAL 83.A O no hydrogen 3.070 N/A ARG 88.A N LEU 84.A O no hydrogen 2.927 N/A ARG 88.A NE ASP 89.A OD1 no hydrogen 3.329 N/A ARG 88.A NH1 GLU 85.A OE2 no hydrogen 2.904 N/A ARG 88.A NH2 GLU 85.A OE2 no hydrogen 2.787 N/A ARG 88.A NH2 ASP 89.A OD1 no hydrogen 2.836 N/A ASP 89.A N GLU 85.A O no hydrogen 2.826 N/A HIS 90.A N ARG 86.A O no hydrogen 3.138 N/A VAL 91.A N ILE 87.A O no hydrogen 2.981 N/A SER 92.A N ARG 88.A O no hydrogen 2.856 N/A SER 92.A OG ARG 88.A O no hydrogen 3.200 N/A SER 92.A OG GLN 97.A O no hydrogen 2.701 N/A GLY 93.A N ASP 89.A O no hydrogen 2.870 N/A VAL 94.A N HIS 90.A O no hydrogen 3.085 N/A THR 95.A N VAL 91.A O no hydrogen 2.917 N/A THR 95.A OG1 VAL 91.A O no hydrogen 2.754 N/A GLY 96.A N SER 92.A O no hydrogen 2.819 N/A GLN 97.A N THR 95.A OG1 no hydrogen 3.043 N/A ASN 100.A N ARG 200.A O no hydrogen 3.160 N/A ASN 100.A ND2 ILE 202.A O no hydrogen 2.963 N/A VAL 102.A N TYR 61.A O no hydrogen 2.847 N/A LEU 103.A N THR 198.A O.A no hydrogen 2.919 N/A LEU 103.A N THR 198.A O.B no hydrogen 2.999 N/A ILE 104.A N ALA 59.A O no hydrogen 2.742 N/A ASN 105.A N ASN 196.A O.A no hydrogen 2.864 N/A ASN 105.A N ASN 196.A O.B no hydrogen 2.943 N/A ARG 106.A N LYS 57.A O no hydrogen 2.792 N/A ARG 106.A NE GLU 32.A OE1 no hydrogen 2.797 N/A ARG 106.A NE GLU 32.A OE2 no hydrogen 3.366 N/A ARG 106.A NH2 GLU 32.A OE2 no hydrogen 2.861 N/A TYR 107.A N ARG 194.A O no hydrogen 2.810 N/A LYS 108.A N ASP 112.A OD2 no hydrogen 2.831 N/A GLY 110.A N VAL 190.A O no hydrogen 2.788 N/A SER 111.A N.A ASP 109.A OD1 no hydrogen 2.894 N/A SER 111.A N.B ASP 109.A OD1 no hydrogen 2.901 N/A SER 111.A OG.A ASP 109.A OD1 no hydrogen 2.663 N/A ASP 112.A N ASP 109.A O no hydrogen 3.118 N/A HIS 113.A N PRO 55.A O no hydrogen 2.968 N/A ILE 114.A N LEU 184.A O no hydrogen 3.165 N/A HIS 117.A N HIS 182.A O no hydrogen 2.980 N/A HIS 117.A ND1 CYS 115.A O no hydrogen 2.943 N/A ARG 118.A NH1 THR 178.A O no hydrogen 2.992 N/A ARG 122.A N ASP 120.A OD1 no hydrogen 3.186 N/A ARG 122.A NE ASP 120.A OD2 no hydrogen 3.382 N/A ARG 122.A NH1 THR 69.A OG1 no hydrogen 2.853 N/A ARG 122.A NH2 THR 69.A OG1 no hydrogen 3.132 N/A ARG 122.A NH2 ASP 120.A OD2 no hydrogen 2.736 N/A LEU 124.A N GLU 121.A O no hydrogen 3.056 N/A ALA 125.A N LYS 201.A O.A no hydrogen 2.858 N/A ALA 125.A N LYS 201.A O.B no hydrogen 2.904 N/A SER 128.A N ALA 125.A O no hydrogen 3.123 N/A SER 128.A OG ALA 125.A O no hydrogen 2.710 N/A ILE 130.A N MET 172.A O no hydrogen 3.103 N/A ALA 131.A N PHE 199.A O no hydrogen 3.169 N/A SER 132.A N LEU 170.A O no hydrogen 2.803 N/A SER 132.A OG ASN 196.A OD1.A no hydrogen 2.779 N/A SER 132.A OG ASN 196.A OD1.B no hydrogen 3.371 N/A VAL 133.A N LEU 197.A O no hydrogen 2.766 N/A SER 134.A N SER 168.A O no hydrogen 2.996 N/A SER 134.A OG ASN 196.A OD1.A no hydrogen 3.250 N/A PHE 135.A N VAL 195.A O no hydrogen 2.894 N/A GLY 136.A N HIS 166.A ND1 no hydrogen 2.885 N/A ALA 137.A N PRO 193.A O no hydrogen 2.946 N/A SER 138.A OG.A LEU 164.A O no hydrogen 3.563 N/A ARG 139.A N LEU 164.A O no hydrogen 3.275 N/A ARG 139.A NH1 ASP 112.A O no hydrogen 3.236 N/A ARG 139.A NH2 ASP 112.A O no hydrogen 2.806 N/A ARG 139.A NH2 PRO 185.A O no hydrogen 2.897 N/A PHE 141.A N LEU 162.A O no hydrogen 2.820 N/A VAL 142.A N SER 183.A O no hydrogen 2.997 N/A PHE 143.A N VAL 160.A O no hydrogen 2.792 N/A ARG 144.A N TYR 181.A O no hydrogen 2.758 N/A ARG 144.A NE GLU 116.A OE2.B no hydrogen 2.701 N/A LYS 146.A N HIS 179.A O no hydrogen 2.705 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.001 N/A SER 148.A N HIS 145.A O no hydrogen 2.890 N/A SER 148.A OG ARG 155.A O no hydrogen 2.960 N/A ARG 149.A NE GLU 116.A OE1.A no hydrogen 2.866 N/A ARG 149.A NH1 LYS 146.A O no hydrogen 3.072 N/A ARG 149.A NH2 GLU 116.A OE1.A no hydrogen 3.224 N/A ARG 155.A N ASP 147.A O no hydrogen 2.931 N/A ARG 155.A NH1 GLU 9.A OE1 no hydrogen 3.423 N/A ARG 155.A NH1 GLU 9.A OE2 no hydrogen 2.660 N/A ARG 155.A NH2 GLU 9.A OE1 no hydrogen 2.807 N/A VAL 157.A N SER 148.A OG no hydrogen 3.056 N/A VAL 160.A N PHE 143.A O no hydrogen 2.994 N/A LEU 162.A N PHE 141.A O no hydrogen 2.988 N/A LEU 164.A N ARG 139.A O no hydrogen 2.873 N/A ALA 165.A N TYR 15.A OH no hydrogen 3.086 N/A HIS 166.A NE2 ASP 25.A OD1 no hydrogen 2.781 N/A GLY 167.A N SER 134.A O no hydrogen 2.718 N/A SER 168.A N ALA 165.A O no hydrogen 3.021 N/A SER 168.A OG ALA 165.A O no hydrogen 2.683 N/A LEU 169.A N THR 16.A O no hydrogen 2.796 N/A LEU 170.A N SER 132.A O no hydrogen 2.799 N/A MET 171.A N SER 14.A O no hydrogen 2.772 N/A MET 172.A N ILE 130.A O no hydrogen 2.866 N/A ASN 173.A N ASP 12.A O no hydrogen 3.032 N/A ASN 173.A ND2 ASP 12.A O no hydrogen 3.502 N/A ASN 173.A ND2 ASP 12.A OD2 no hydrogen 2.944 N/A THR 176.A N ASN 173.A O no hydrogen 2.891 N/A THR 176.A OG1 ASP 12.A O no hydrogen 2.980 N/A THR 176.A OG1 ASN 173.A O no hydrogen 2.677 N/A THR 178.A N PRO 175.A O no hydrogen 2.900 N/A HIS 179.A N PRO 175.A O no hydrogen 3.269 N/A TRP 180.A N THR 176.A O no hydrogen 2.862 N/A TRP 180.A NE1 GLU 9.A O no hydrogen 2.731 N/A TYR 181.A N ARG 144.A O no hydrogen 2.738 N/A HIS 182.A N HIS 117.A O no hydrogen 2.859 N/A SER 183.A N VAL 142.A O no hydrogen 2.961 N/A LEU 184.A N ILE 114.A O no hydrogen 3.077 N/A ARG 187.A N GLY 110.A O no hydrogen 2.923 N/A ARG 187.A NE ASP 140.A OD2 no hydrogen 2.811 N/A ARG 187.A NH1 VAL 186.A O no hydrogen 2.890 N/A VAL 190.A N ARG 187.A O no hydrogen 2.985 N/A ARG 194.A N TYR 107.A O no hydrogen 2.924 N/A ARG 194.A NH2 SER 134.A OG no hydrogen 2.859 N/A VAL 195.A N PHE 135.A O no hydrogen 2.776 N/A ASN 196.A N.A ASN 105.A O no hydrogen 2.786 N/A ASN 196.A N.B ASN 105.A O no hydrogen 2.774 N/A ASN 196.A ND2.A THR 198.A OG1.A no hydrogen 2.801 N/A LEU 197.A N VAL 133.A O no hydrogen 2.756 N/A THR 198.A N.A LEU 103.A O no hydrogen 2.823 N/A THR 198.A N.B LEU 103.A O no hydrogen 2.844 N/A THR 198.A OG1.A ASN 196.A OD1.B no hydrogen 2.974 N/A THR 198.A OG1.B LEU 103.A O no hydrogen 3.278 N/A PHE 199.A N ALA 131.A O no hydrogen 2.808 N/A ARG 200.A N PHE 101.A O no hydrogen 2.878 N/A ARG 200.A NE THR 198.A O.A no hydrogen 3.535 N/A ARG 200.A NE THR 198.A O.B no hydrogen 3.415 N/A ARG 200.A NH2 THR 198.A OG1.B no hydrogen 3.167 N/A LYS 201.A NZ.B GLN 97.A OE1 no hydrogen 2.580 N/A ILE 202.A N ASN 100.A OD1 no hydrogen 2.818 N/A LEU 203.A N GLU 123.A O no hydrogen 2.743 N/A