Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3key_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 ASN 7.A OD1 no hydrogen 3.389 N/A THR 2.A OG1 SER 3.A O no hydrogen 3.316 N/A LYS 5.A NZ GLN 72.A OE1 no hydrogen 3.059 N/A LYS 5.A NZ ASP 135.A OD2 no hydrogen 2.888 N/A SER 6.A N SER 3.A OG no hydrogen 3.247 N/A ASN 7.A N SER 3.A O no hydrogen 2.994 N/A LEU 8.A N ALA 4.A O no hydrogen 3.026 N/A MET 9.A N LYS 5.A O no hydrogen 2.858 N/A LEU 10.A N SER 6.A O no hydrogen 2.898 N/A ILE 11.A N ASN 7.A O no hydrogen 3.141 N/A LEU 12.A N LEU 8.A O no hydrogen 2.962 N/A LEU 13.A N MET 9.A O no hydrogen 2.934 N/A GLY 14.A N LEU 10.A O no hydrogen 3.178 N/A LEU 15.A N ILE 11.A O no hydrogen 3.224 N/A LEU 15.A N LEU 12.A O no hydrogen 3.249 N/A GLN 16.A NE2 GLY 14.A O no hydrogen 3.052 N/A MET 17.A N LEU 15.A O no hydrogen 2.964 N/A ILE 20.A N PHE 85.A O no hydrogen 3.133 N/A SER 21.A OG SER 23.A OG no hydrogen 3.371 N/A ASN 22.A N GLU 83.A O no hydrogen 2.872 N/A SER 23.A OG SER 21.A OG no hydrogen 3.371 N/A ASP 24.A N SER 21.A OG no hydrogen 3.181 N/A LEU 25.A N SER 21.A O no hydrogen 2.942 N/A TYR 26.A N ASN 22.A O no hydrogen 3.111 N/A LYS 27.A N ASP 24.A O no hydrogen 3.309 N/A LEU 28.A N LEU 25.A O no hydrogen 3.135 N/A ARG 32.A N LEU 28.A O no hydrogen 2.959 N/A ARG 32.A NH2 GLU 58.A OE2 no hydrogen 3.026 N/A SER 33.A N LYS 29.A O no hydrogen 3.121 N/A SER 33.A OG LYS 29.A O no hydrogen 3.227 N/A VAL 34.A N GLU 30.A O no hydrogen 3.392 N/A VAL 35.A N VAL 31.A O no hydrogen 2.904 N/A THR 36.A N ARG 32.A O no hydrogen 2.742 N/A THR 36.A OG1 ARG 32.A O no hydrogen 2.812 N/A THR 36.A OG1 GLU 58.A OE2 no hydrogen 3.102 N/A SER 37.A N SER 33.A O no hydrogen 3.110 N/A LEU 38.A N VAL 34.A O no hydrogen 3.043 N/A ALA 39.A N VAL 35.A O no hydrogen 2.780 N/A SER 40.A N THR 36.A O no hydrogen 3.085 N/A SER 40.A OG SER 37.A O no hydrogen 2.981 N/A LEU 42.A N LEU 38.A O no hydrogen 2.957 N/A PHE 43.A N ALA 39.A O no hydrogen 2.855 N/A GLN 44.A N SER 40.A O no hydrogen 3.403 N/A GLN 45.A N PHE 41.A O no hydrogen 3.123 N/A GLN 46.A N PHE 43.A O no hydrogen 3.314 N/A VAL 50.A N ASN 47.A O no hydrogen 2.840 N/A SER 56.A N SER 53.A OG no hydrogen 3.110 N/A LEU 57.A N SER 53.A O no hydrogen 2.970 N/A GLU 58.A N PHE 54.A O no hydrogen 2.798 N/A LYS 59.A N ASP 55.A O no hydrogen 3.050 N/A LYS 59.A NZ ASP 55.A OD1 no hydrogen 3.417 N/A GLU 60.A N SER 56.A O no hydrogen 3.057 N/A ALA 61.A N LEU 57.A O no hydrogen 2.891 N/A PHE 62.A N GLU 58.A O no hydrogen 2.886 N/A ARG 63.A N LYS 59.A O no hydrogen 3.115 N/A ASP 64.A N GLU 60.A O no hydrogen 3.004 N/A LEU 65.A N ALA 61.A O no hydrogen 2.967 N/A VAL 66.A N PHE 62.A O no hydrogen 3.031 N/A ASN 67.A N ARG 63.A O no hydrogen 2.906 N/A ARG 68.A N ASP 64.A O no hydrogen 2.914 N/A LEU 69.A N LEU 65.A O no hydrogen 3.238 N/A VAL 70.A N VAL 66.A O no hydrogen 2.960 N/A SER 71.A N ASN 67.A O no hydrogen 2.860 N/A GLN 72.A N ARG 68.A O no hydrogen 3.173 N/A GLN 72.A N LEU 69.A O no hydrogen 3.100 N/A GLY 73.A N VAL 70.A O no hydrogen 3.004 N/A LEU 74.A N LEU 69.A O no hydrogen 3.038 N/A GLY 76.A N ASP 86.A O no hydrogen 3.310 N/A LYS 78.A NZ GLU 19.A OE2 no hydrogen 3.026 N/A ASP 79.A N THR 84.A O no hydrogen 3.216 N/A LYS 80.A NZ GLU 83.A OE1 no hydrogen 3.019 N/A SER 82.A N ASP 79.A OD2 no hydrogen 3.063 N/A SER 82.A OG ASP 79.A OD2 no hydrogen 2.873 N/A SER 82.A OG THR 84.A OG1 no hydrogen 2.627 N/A GLU 83.A N LYS 80.A O no hydrogen 2.956 N/A THR 84.A N ASP 79.A O no hydrogen 2.956 N/A THR 84.A OG1 SER 82.A OG no hydrogen 2.627 N/A PHE 85.A N ILE 20.A O no hydrogen 2.818 N/A ASP 86.A N GLY 76.A O no hydrogen 2.604 N/A LEU 87.A N LYS 18.A O no hydrogen 2.873 N/A LEU 88.A N ASP 86.A OD1 no hydrogen 3.075 N/A LYS 91.A N LEU 87.A O no hydrogen 3.138 N/A LYS 91.A NZ LEU 15.A O no hydrogen 2.443 N/A LYS 91.A NZ MET 17.A O no hydrogen 2.692 N/A ASN 92.A N LEU 88.A O no hydrogen 2.819 N/A LEU 93.A N PRO 89.A O no hydrogen 2.883 N/A PHE 94.A N LEU 90.A O no hydrogen 3.046 N/A GLU 95.A N LYS 91.A O no hydrogen 3.080 N/A TYR 96.A N ASN 92.A O no hydrogen 2.949 N/A ALA 97.A N LEU 93.A O no hydrogen 2.943 N/A GLU 98.A N PHE 94.A O no hydrogen 2.911 N/A LYS 99.A N GLU 95.A O no hydrogen 2.977 N/A ARG 100.A N TYR 96.A O no hydrogen 2.980 N/A ILE 101.A N ALA 97.A O no hydrogen 2.892 N/A SER 102.A N GLU 98.A O no hydrogen 2.937 N/A VAL 103.A N LYS 99.A O no hydrogen 3.005 N/A LEU 104.A N ARG 100.A O no hydrogen 3.007 N/A MET 105.A N ILE 101.A O no hydrogen 3.013 N/A LYS 106.A N SER 102.A O no hydrogen 3.084 N/A LEU 107.A N VAL 103.A O no hydrogen 3.060 N/A LEU 107.A N LEU 104.A O no hydrogen 3.277 N/A GLN 108.A N MET 105.A O no hydrogen 2.884 N/A GLN 108.A NE2 TYR 110.A OH no hydrogen 3.109 N/A CYS 109.A N LEU 104.A O no hydrogen 2.948 N/A CYS 109.A SG THR 111.A O no hydrogen 3.065 N/A GLY 112.A N LEU 166.A O no hydrogen 3.028 N/A THR 113.A OG1 ASP 160.A OD2 no hydrogen 3.491 N/A VAL 114.A N ILE 164.A O no hydrogen 2.986 N/A LEU 116.A N SER 162.A O no hydrogen 2.881 N/A VAL 119.A N GLN 115.A O no hydrogen 3.224 N/A GLN 120.A N LEU 116.A O no hydrogen 2.902 N/A GLN 120.A NE2 ILE 128.A O no hydrogen 2.959 N/A GLU 121.A N SER 117.A O no hydrogen 2.934 N/A LYS 122.A N HIS 118.A O no hydrogen 2.858 N/A LEU 123.A N VAL 119.A O no hydrogen 3.151 N/A LEU 125.A N GLN 120.A O no hydrogen 2.927 N/A ILE 128.A N LEU 125.A O no hydrogen 3.337 N/A THR 129.A N GLN 72.A O no hydrogen 3.121 N/A THR 129.A OG1 GLN 72.A O no hydrogen 3.494 N/A GLY 132.A N THR 129.A OG1 no hydrogen 3.209 N/A ILE 133.A N THR 129.A O no hydrogen 3.100 N/A VAL 134.A N THR 130.A O no hydrogen 2.871 N/A ASP 135.A N ASN 131.A O no hydrogen 3.135 N/A VAL 136.A N GLY 132.A O no hydrogen 3.123 N/A PHE 137.A N ILE 133.A O no hydrogen 2.995 N/A LYS 138.A N VAL 134.A O no hydrogen 2.904 N/A GLU 139.A N ASP 135.A O no hydrogen 3.212 N/A CYS 140.A N VAL 136.A O no hydrogen 3.057 N/A CYS 140.A SG PHE 94.A O no hydrogen 4.038 N/A CYS 140.A SG VAL 136.A O no hydrogen 3.397 N/A LEU 141.A N PHE 137.A O no hydrogen 2.804 N/A LYS 142.A N LYS 138.A O no hydrogen 2.873 N/A ARG 143.A N GLU 139.A O no hydrogen 3.038 N/A THR 144.A N CYS 140.A O no hydrogen 2.783 N/A THR 144.A OG1 CYS 140.A O no hydrogen 2.928 N/A LYS 145.A N LEU 141.A O no hydrogen 2.959 N/A LYS 145.A NZ LYS 153.A O no hydrogen 3.026 N/A LYS 145.A NZ ASN 154.A OD1 no hydrogen 3.236 N/A LYS 146.A N LYS 142.A O no hydrogen 3.303 N/A GLN 147.A N ARG 143.A O no hydrogen 2.888 N/A TYR 148.A N THR 144.A O no hydrogen 2.759 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.766 N/A VAL 151.A N TYR 148.A O no hydrogen 3.028 N/A LEU 152.A N TYR 148.A O no hydrogen 2.974 N/A LYS 153.A N GLU 169.A O no hydrogen 2.860 N/A ASN 154.A N GLU 169.A O no hydrogen 3.252 N/A ASN 154.A ND2 GLU 169.A OE1 no hydrogen 2.781 N/A TRP 156.A N HIS 167.A O no hydrogen 2.984 N/A ASP 158.A N LEU 165.A O no hydrogen 2.811 N/A ASP 160.A N GLY 163.A O no hydrogen 3.095 N/A ILE 164.A N VAL 114.A O no hydrogen 2.932 N/A LEU 165.A N ASP 158.A O no hydrogen 2.743 N/A LEU 166.A N GLY 112.A O no hydrogen 2.839 N/A HIS 167.A N TRP 156.A O no hydrogen 2.811 N/A LEU 168.A N TYR 110.A O no hydrogen 2.802 N/A GLU 169.A N ASN 154.A O no hydrogen 2.888 N/A TYR 170.A OH CYS 109.A O no hydrogen 2.648 N/A ALA 171.A N VAL 151.A O no hydrogen 2.917 N/A TYR 174.A N GLU 150.A O no hydrogen 3.292 N/A TYR 174.A OH MET 105.A O no hydrogen 2.729 N/A SER 175.A N ALA 171.A O no hydrogen 3.039 N/A