Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1spe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLU 6.A OE1 no hydrogen 3.198 N/A SER 3.A OG GLU 6.A OE1 no hydrogen 2.714 N/A TRP 7.A N SER 3.A O no hydrogen 3.146 N/A GLN 8.A N GLU 4.A O no hydrogen 3.050 N/A LEU 9.A N GLY 5.A O no hydrogen 3.144 N/A VAL 10.A N GLU 6.A O no hydrogen 3.212 N/A LEU 11.A N TRP 7.A O no hydrogen 2.979 N/A HIS 12.A N GLN 8.A O no hydrogen 2.865 N/A VAL 13.A N LEU 9.A O no hydrogen 3.192 N/A TRP 14.A N VAL 10.A O no hydrogen 2.798 N/A ALA 15.A N LEU 11.A O no hydrogen 2.853 N/A LYS 16.A N VAL 13.A O no hydrogen 2.963 N/A VAL 17.A N VAL 13.A O no hydrogen 3.284 N/A GLU 18.A N TRP 14.A O no hydrogen 2.793 N/A ALA 19.A N LYS 16.A O no hydrogen 3.107 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 3.122 N/A HIS 24.A N ASP 20.A O no hydrogen 3.210 N/A HIS 24.A ND1 ASP 20.A O no hydrogen 2.759 N/A HIS 24.A NE2 HIS 119.A NE2 no hydrogen 3.043 N/A GLY 25.A N VAL 21.A O no hydrogen 2.787 N/A GLN 26.A N ALA 22.A O no hydrogen 3.072 N/A ASP 27.A N GLY 23.A O no hydrogen 3.121 N/A ILE 28.A N HIS 24.A O no hydrogen 2.979 N/A LEU 29.A N GLY 25.A O no hydrogen 3.107 N/A ILE 30.A N GLN 26.A O no hydrogen 3.187 N/A ARG 31.A N ASP 27.A O no hydrogen 2.880 N/A ARG 31.A NE SER 35.A OG no hydrogen 2.940 N/A LEU 32.A N ILE 28.A O no hydrogen 2.807 N/A PHE 33.A N LEU 29.A O no hydrogen 2.716 N/A LYS 34.A N ILE 30.A O no hydrogen 2.811 N/A LYS 34.A NZ LYS 50.A O no hydrogen 3.476 N/A SER 35.A N ARG 31.A O no hydrogen 3.061 N/A SER 35.A OG ARG 31.A O no hydrogen 3.155 N/A HIS 36.A N LEU 32.A O no hydrogen 2.908 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.872 N/A THR 39.A N HIS 36.A O no hydrogen 2.848 N/A THR 39.A OG1 HIS 36.A O no hydrogen 2.718 N/A LEU 40.A N PRO 37.A O no hydrogen 2.858 N/A LYS 42.A N THR 39.A O no hydrogen 3.119 N/A LYS 42.A NZ LYS 98.A O no hydrogen 2.982 N/A PHE 43.A N LEU 40.A O no hydrogen 2.986 N/A ARG 45.A NH1 ASP 60.A OD1 no hydrogen 3.093 N/A ARG 45.A NH1 ASP 60.A OD2 no hydrogen 3.061 N/A PHE 46.A N PHE 43.A O no hydrogen 3.091 N/A LYS 47.A NZ GLU 41.A O no hydrogen 3.450 N/A LEU 49.A N PHE 46.A O no hydrogen 3.092 N/A LYS 50.A N GLU 54.A OE1 no hydrogen 2.456 N/A LYS 50.A NZ GLU 54.A OE2 no hydrogen 2.976 N/A THR 51.A N GLU 54.A OE1 no hydrogen 3.127 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.053 N/A MET 55.A N THR 51.A O no hydrogen 3.056 N/A LYS 56.A N GLU 52.A O no hydrogen 2.883 N/A LYS 56.A NZ GLU 52.A OE2 no hydrogen 2.330 N/A ALA 57.A N ALA 53.A O no hydrogen 3.064 N/A ALA 57.A N GLU 54.A O no hydrogen 3.103 N/A SER 58.A N GLU 54.A O no hydrogen 3.148 N/A LEU 61.A N SER 58.A OG no hydrogen 2.906 N/A LYS 62.A N SER 58.A O no hydrogen 3.325 N/A LYS 62.A NZ GLU 59.A OE2 no hydrogen 3.415 N/A LYS 63.A N GLU 59.A O no hydrogen 3.177 N/A LYS 63.A N ASP 60.A O no hydrogen 2.975 N/A HIS 64.A N ASP 60.A O no hydrogen 2.983 N/A HIS 64.A ND1 ASP 60.A O no hydrogen 2.764 N/A GLY 65.A N LEU 61.A O no hydrogen 2.945 N/A VAL 66.A N LYS 62.A O no hydrogen 3.136 N/A THR 67.A N LYS 63.A O no hydrogen 3.228 N/A THR 67.A OG1 LYS 63.A O no hydrogen 3.472 N/A VAL 68.A N HIS 64.A O no hydrogen 3.020 N/A LEU 69.A N GLY 65.A O no hydrogen 3.061 N/A THR 70.A N VAL 66.A O no hydrogen 2.871 N/A THR 70.A OG1 VAL 66.A O no hydrogen 2.693 N/A ALA 71.A N THR 67.A O no hydrogen 3.073 N/A LEU 72.A N VAL 68.A O no hydrogen 2.850 N/A GLY 73.A N LEU 69.A O no hydrogen 2.910 N/A ALA 74.A N THR 70.A O no hydrogen 3.260 N/A ALA 74.A N ALA 71.A O no hydrogen 3.036 N/A ILE 75.A N ALA 71.A O no hydrogen 3.233 N/A ILE 75.A N LEU 72.A O no hydrogen 2.901 N/A LEU 76.A N LEU 72.A O no hydrogen 2.962 N/A LYS 77.A N GLY 73.A O no hydrogen 3.094 N/A LYS 77.A NZ GLU 18.A OE1 no hydrogen 2.796 N/A LYS 77.A NZ GLU 18.A OE2 no hydrogen 3.095 N/A LYS 78.A N ILE 75.A O no hydrogen 3.175 N/A LYS 79.A N.A LEU 76.A O no hydrogen 2.879 N/A LYS 79.A N.B LEU 76.A O no hydrogen 3.041 N/A LYS 79.A NZ.A GLU 4.A OE1 no hydrogen 3.048 N/A LYS 79.A NZ.B GLU 4.A OE1 no hydrogen 2.635 N/A HIS 81.A N.A LYS 78.A O no hydrogen 2.901 N/A HIS 81.A N.A LYS 79.A O.B no hydrogen 2.805 N/A HIS 82.A NE2 ASP 141.A OD2 no hydrogen 2.792 N/A LEU 86.A N HIS 82.A O no hydrogen 3.063 N/A LYS 87.A N GLU 83.A O no hydrogen 3.255 N/A ALA 90.A N LEU 86.A O no hydrogen 3.018 N/A GLN 91.A N LYS 87.A O no hydrogen 2.992 N/A SER 92.A N PRO 88.A O no hydrogen 2.875 N/A SER 92.A OG PRO 88.A O no hydrogen 3.146 N/A SER 92.A OG LEU 89.A O no hydrogen 3.048 N/A SER 92.A OG HIS 93.A ND1 no hydrogen 3.311 N/A HIS 93.A N LEU 89.A O no hydrogen 2.885 N/A HIS 93.A ND1 LEU 89.A O no hydrogen 2.904 N/A ALA 94.A N ALA 90.A O no hydrogen 2.902 N/A THR 95.A N GLN 91.A O no hydrogen 2.638 N/A THR 95.A OG1 GLN 91.A O no hydrogen 2.552 N/A LYS 96.A N SER 92.A O no hydrogen 2.790 N/A HIS 97.A N SER 92.A O no hydrogen 2.923 N/A LYS 98.A NZ THR 95.A O no hydrogen 2.386 N/A ILE 99.A N HIS 93.A O no hydrogen 2.732 N/A TYR 103.A N PRO 100.A O no hydrogen 2.942 N/A LEU 104.A N ILE 101.A O no hydrogen 2.987 N/A GLU 105.A N ILE 101.A O no hydrogen 3.271 N/A PHE 106.A N LYS 102.A O no hydrogen 3.077 N/A ILE 107.A N TYR 103.A O no hydrogen 2.975 N/A SER 108.A N LEU 104.A O no hydrogen 3.075 N/A SER 108.A N GLU 105.A O no hydrogen 3.030 N/A SER 108.A OG LEU 104.A O no hydrogen 2.662 N/A GLU 109.A N GLU 105.A O no hydrogen 3.066 N/A ALA 110.A N PHE 106.A O no hydrogen 2.934 N/A ILE 111.A N ILE 107.A O no hydrogen 2.875 N/A ILE 112.A N SER 108.A O no hydrogen 3.012 N/A HIS 113.A N GLU 109.A O no hydrogen 2.918 N/A VAL 114.A N ALA 110.A O no hydrogen 3.033 N/A LEU 115.A N ILE 111.A O no hydrogen 3.125 N/A HIS 116.A N ILE 112.A O no hydrogen 2.957 N/A SER 117.A N HIS 113.A O no hydrogen 2.940 N/A ARG 118.A N VAL 114.A O no hydrogen 2.994 N/A ARG 118.A NE ASP 27.A OD2 no hydrogen 2.959 N/A ARG 118.A NH2 ASP 27.A OD2 no hydrogen 3.543 N/A HIS 119.A N HIS 116.A O no hydrogen 3.458 N/A HIS 119.A NE2 HIS 24.A NE2 no hydrogen 3.043 N/A GLY 121.A N HIS 119.A O no hydrogen 2.441 N/A ASP 122.A N HIS 119.A O no hydrogen 3.213 N/A PHE 123.A N HIS 119.A O no hydrogen 3.102 N/A GLN 128.A N GLY 124.A O no hydrogen 2.838 N/A GLY 129.A N ALA 125.A O no hydrogen 2.946 N/A ALA 130.A N ASP 126.A O no hydrogen 3.080 N/A MET 131.A N ALA 127.A O no hydrogen 3.071 N/A ASN 132.A N GLN 128.A O no hydrogen 3.019 N/A LYS 133.A N GLY 129.A O no hydrogen 3.074 N/A LYS 133.A NZ GLU 6.A OE1 no hydrogen 2.850 N/A LYS 133.A NZ GLU 6.A OE2 no hydrogen 2.997 N/A ALA 134.A N ALA 130.A O no hydrogen 2.808 N/A LEU 135.A N MET 131.A O no hydrogen 3.067 N/A GLU 136.A N ASN 132.A O no hydrogen 2.995 N/A LEU 137.A N LYS 133.A O no hydrogen 3.036 N/A PHE 138.A N ALA 134.A O no hydrogen 3.091 N/A ARG 139.A N LEU 135.A O no hydrogen 2.969 N/A LYS 140.A N GLU 136.A O no hydrogen 2.819 N/A ASP 141.A N LEU 137.A O no hydrogen 2.992 N/A ILE 142.A N PHE 138.A O no hydrogen 3.113 N/A ALA 143.A N ARG 139.A O no hydrogen 2.837 N/A ALA 144.A N LYS 140.A O no hydrogen 2.967 N/A LYS 145.A N ASP 141.A O no hydrogen 3.359 N/A LYS 145.A NZ ASP 141.A O no hydrogen 2.751 N/A TYR 146.A N ILE 142.A O no hydrogen 2.942 N/A TYR 146.A OH ILE 99.A O no hydrogen 2.442 N/A LYS 147.A N ALA 143.A O no hydrogen 2.774 N/A GLU 148.A N ALA 144.A O no hydrogen 3.145 N/A LEU 149.A N LYS 145.A O no hydrogen 3.008 N/A GLY 150.A N LYS 147.A O no hydrogen 3.030 N/A TYR 151.A N TYR 146.A O no hydrogen 2.849 N/A GLY 153.A N ALA 143.A O no hydrogen 3.284 N/A