Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N LYS 119.A O no hydrogen 2.633 N/A ARG 4.A NE ASP 6.A OD2 no hydrogen 2.997 N/A ARG 4.A NH2 ASP 6.A OD1 no hydrogen 3.485 N/A ARG 4.A NH2 ASP 6.A OD2 no hydrogen 3.455 N/A ARG 5.A NE ASP 41.A OD1 no hydrogen 2.765 N/A ARG 5.A NH1 ARG 4.A O no hydrogen 2.710 N/A ARG 5.A NH1 TYR 121.A O no hydrogen 3.265 N/A ARG 5.A NH2 ASP 41.A OD1 no hydrogen 2.864 N/A ARG 5.A NH2 TYR 121.A O no hydrogen 2.886 N/A ASP 6.A N TYR 9.A O no hydrogen 2.642 N/A GLU 8.A N ASP 6.A OD1 no hydrogen 2.880 N/A TYR 9.A N ASP 6.A OD1 no hydrogen 2.724 N/A TYR 9.A OH HIS 120.A O no hydrogen 2.624 N/A LEU 15.A N PRO 11.A O no hydrogen 3.175 N/A GLU 16.A N PRO 12.A O no hydrogen 2.911 N/A ALA 17.A N GLU 13.A O no hydrogen 2.918 N/A MET 18.A N PHE 14.A O no hydrogen 2.971 N/A LYS 19.A N GLU 16.A O no hydrogen 3.201 N/A ARG 22.A N MET 18.A O no hydrogen 2.903 N/A ARG 22.A NH1 ILE 124.A OXT no hydrogen 2.993 N/A GLU 23.A N LYS 19.A O no hydrogen 3.039 N/A ILE 24.A N PRO 20.A O no hydrogen 3.061 N/A CYS 25.A N LEU 21.A O no hydrogen 2.908 N/A CYS 25.A SG LEU 21.A O no hydrogen 3.298 N/A ILE 26.A N ARG 22.A O no hydrogen 2.754 N/A LYS 27.A N GLU 23.A O no hydrogen 3.267 N/A LYS 28.A N ILE 24.A O no hydrogen 3.120 N/A THR 29.A N CYS 25.A O no hydrogen 2.989 N/A THR 29.A OG1 CYS 25.A O no hydrogen 2.602 N/A GLY 30.A N ILE 26.A O no hydrogen 2.933 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.764 N/A ALA 35.A N THR 32.A OG1 no hydrogen 3.067 N/A ILE 36.A N THR 32.A O no hydrogen 3.364 N/A ILE 37.A N GLU 33.A O no hydrogen 3.057 N/A GLU 38.A N GLU 34.A O no hydrogen 2.955 N/A PHE 39.A N ALA 35.A O no hydrogen 3.070 N/A SER 40.A N ILE 36.A O no hydrogen 2.862 N/A SER 40.A OG ASP 41.A OD1 no hydrogen 3.243 N/A ASP 41.A N ILE 37.A O no hydrogen 2.781 N/A GLY 42.A N GLU 38.A O no hydrogen 2.716 N/A LYS 43.A N GLU 38.A OE2 no hydrogen 3.096 N/A HIS 45.A NE2 ALA 35.A O no hydrogen 2.802 N/A ASN 49.A ND2 GLY 30.A O no hydrogen 3.501 N/A LEU 50.A N ASP 47.A OD2 no hydrogen 2.970 N/A LYS 51.A N ASP 47.A O no hydrogen 3.252 N/A LYS 51.A NZ GLU 46.A OE2 no hydrogen 2.635 N/A LYS 51.A NZ GLU 48.A OE2 no hydrogen 2.648 N/A LYS 51.A NZ GLU 104.A OE1 no hydrogen 3.289 N/A LYS 51.A NZ GLU 104.A OE2 no hydrogen 3.168 N/A CYS 52.A N GLU 48.A O no hydrogen 3.473 N/A CYS 52.A SG.B GLU 48.A O no hydrogen 3.437 N/A TYR 53.A N ASN 49.A O no hydrogen 2.928 N/A TYR 53.A OH ILE 124.A O no hydrogen 2.505 N/A MET 54.A N LEU 50.A O no hydrogen 2.921 N/A ASN 55.A N LYS 51.A O no hydrogen 3.091 N/A CYS 56.A N CYS 52.A O no hydrogen 2.791 N/A LEU 57.A N TYR 53.A O no hydrogen 2.976 N/A PHE 58.A N MET 54.A O no hydrogen 3.400 N/A HIS 59.A N ASN 55.A O no hydrogen 3.124 N/A GLU 60.A N CYS 56.A O no hydrogen 2.880 N/A ALA 61.A N LEU 57.A O no hydrogen 2.944 N/A LYS 62.A N HIS 59.A O no hydrogen 3.045 N/A VAL 63.A N PHE 58.A O no hydrogen 3.209 N/A ASP 65.A N HIS 69.A O no hydrogen 2.721 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.769 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.683 N/A THR 67.A OG1 ASP 65.A OD2 no hydrogen 3.491 N/A THR 67.A OG1 HIS 69.A ND1 no hydrogen 2.870 N/A GLY 68.A N ASP 65.A O no hydrogen 3.109 N/A HIS 69.A N ASP 65.A OD1 no hydrogen 3.076 N/A HIS 69.A ND1 THR 67.A OG1 no hydrogen 2.870 N/A HIS 71.A N VAL 63.A O no hydrogen 2.890 N/A LYS 74.A N HIS 71.A ND1 no hydrogen 3.318 N/A LYS 74.A NZ VAL 64.A O no hydrogen 2.745 N/A LEU 75.A N HIS 71.A O no hydrogen 2.897 N/A HIS 76.A N LEU 72.A O no hydrogen 2.965 N/A HIS 76.A NE2 HIS 84.A O no hydrogen 2.833 N/A ASP 77.A N GLU 73.A O no hydrogen 2.908 N/A ALA 78.A N LYS 74.A O no hydrogen 2.990 N/A ALA 78.A N LEU 75.A O no hydrogen 3.104 N/A LEU 79.A N LEU 75.A O no hydrogen 3.113 N/A LEU 79.A N HIS 76.A O no hydrogen 3.214 N/A MET 83.A N PRO 80.A O no hydrogen 2.882 N/A HIS 84.A N ASP 81.A O no hydrogen 3.122 N/A ALA 87.A N MET 83.A O no hydrogen 2.840 N/A LEU 88.A N HIS 84.A O no hydrogen 3.288 N/A HIS 89.A N ASP 85.A O no hydrogen 3.136 N/A MET 90.A N ILE 86.A O no hydrogen 2.984 N/A GLY 91.A N ALA 87.A O no hydrogen 2.870 N/A LYS 92.A NZ HIS 89.A ND1 no hydrogen 2.937 N/A ARG 93.A NH1 LYS 92.A O no hydrogen 3.027 N/A CYS 94.A N GLY 91.A O no hydrogen 3.088 N/A CYS 94.A SG MET 90.A O no hydrogen 3.654 N/A CYS 94.A SG SER 116.A OG no hydrogen 3.605 N/A GLU 104.A N ASN 101.A OD1 no hydrogen 2.877 N/A LYS 105.A N ASN 101.A O no hydrogen 2.975 N/A LYS 105.A NZ HIS 69.A NE2 no hydrogen 2.903 N/A ALA 106.A N LEU 102.A O no hydrogen 2.883 N/A PHE 107.A N CYS 103.A O no hydrogen 3.005 N/A TRP 108.A N GLU 104.A O no hydrogen 2.908 N/A LEU 109.A N LYS 105.A O no hydrogen 3.066 N/A HIS 110.A N ALA 106.A O no hydrogen 3.089 N/A HIS 110.A ND1 TYR 121.A OH no hydrogen 2.622 N/A LYS 111.A N PHE 107.A O no hydrogen 2.837 N/A LYS 111.A NZ GLU 115.A OE1.B no hydrogen 3.549 N/A LYS 111.A NZ GLU 115.A OE2.B no hydrogen 2.574 N/A CYS 112.A N TRP 108.A O no hydrogen 2.916 N/A CYS 112.A SG ARG 93.A O no hydrogen 3.316 N/A TRP 113.A N LEU 109.A O no hydrogen 2.922 N/A LYS 114.A N HIS 110.A O no hydrogen 2.904 N/A LYS 114.A NZ PHE 39.A O no hydrogen 2.806 N/A LYS 114.A NZ SER 40.A O no hydrogen 3.351 N/A LYS 114.A NZ GLY 42.A O no hydrogen 2.807 N/A GLU 115.A N LYS 111.A O no hydrogen 2.906 N/A SER 116.A N CYS 112.A O no hydrogen 2.855 N/A SER 116.A OG CYS 112.A O no hydrogen 2.690 N/A ASP 117.A N TRP 113.A O no hydrogen 2.962 N/A LYS 119.A NZ THR 2.A O no hydrogen 2.792 N/A HIS 120.A N ASP 117.A OD1 no hydrogen 3.117 N/A HIS 120.A ND1 ASP 117.A OD2 no hydrogen 2.774 N/A TYR 121.A N ASP 117.A O no hydrogen 2.895 N/A TYR 121.A OH HIS 110.A ND1 no hydrogen 2.622 N/A LEU 123.A N SER 40.A OG no hydrogen 2.840 N/A