Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 2.942 N/A VAL 5.A N MET 1.A O no hydrogen 2.932 N/A MET 8.A N PHE 4.A O no hydrogen 3.139 N/A ASN 9.A N VAL 5.A O no hydrogen 2.870 N/A LYS 10.A N GLY 6.A O no hydrogen 3.067 N/A LYS 10.A NZ ASP 75.A OD2 no hydrogen 2.712 N/A ILE 11.A N PHE 7.A O no hydrogen 2.931 N/A SER 12.A N MET 8.A O no hydrogen 2.873 N/A SER 12.A OG MET 8.A O no hydrogen 2.986 N/A GLN 13.A N ASN 9.A O no hydrogen 2.935 N/A ILE 14.A N LYS 10.A O no hydrogen 2.875 N/A ASN 15.A N ILE 11.A O no hydrogen 2.886 N/A ASN 15.A ND2 SER 89.A OG no hydrogen 2.997 N/A ARG 16.A N SER 12.A O no hydrogen 2.959 N/A ARG 16.A NE GLN 13.A OE1 no hydrogen 3.241 N/A ARG 16.A NH2 GLN 13.A OE1 no hydrogen 3.271 N/A ASP 17.A N GLN 13.A O no hydrogen 2.893 N/A LEU 18.A N ILE 14.A O no hydrogen 2.877 N/A ASP 19.A N ASN 15.A O no hydrogen 3.056 N/A LYS 20.A N ARG 16.A O no hydrogen 3.017 N/A TYR 21.A N ASP 17.A O no hydrogen 2.730 N/A TYR 21.A OH GLN 62.A OE1 no hydrogen 2.524 N/A ASP 22.A N LEU 18.A O no hydrogen 2.715 N/A HIS 23.A N ASP 19.A O no hydrogen 2.965 N/A THR 24.A N LYS 20.A O no hydrogen 2.827 N/A THR 24.A OG1 LYS 20.A O no hydrogen 2.647 N/A ILE 25.A N TYR 21.A O no hydrogen 2.879 N/A ASN 26.A N ASP 22.A O no hydrogen 3.087 N/A GLN 27.A N HIS 23.A O no hydrogen 3.018 N/A VAL 28.A N THR 24.A O no hydrogen 3.029 N/A ASP 29.A N ILE 25.A O no hydrogen 2.976 N/A SER 30.A N ASN 26.A O no hydrogen 2.786 N/A LEU 31.A N GLN 27.A O no hydrogen 2.754 N/A HIS 32.A N VAL 28.A O no hydrogen 2.905 N/A LYS 33.A N ASP 29.A O no hydrogen 3.102 N/A LYS 33.A NZ ASP 29.A OD1 no hydrogen 3.076 N/A ARG 34.A N SER 30.A O no hydrogen 3.067 N/A ARG 34.A NE SER 30.A O no hydrogen 3.588 N/A ARG 34.A NH2 SER 30.A OG no hydrogen 3.059 N/A LEU 35.A N LEU 31.A O no hydrogen 2.851 N/A LEU 36.A N HIS 32.A O no hydrogen 3.067 N/A LEU 36.A N LYS 33.A O no hydrogen 3.255 N/A THR 37.A N ARG 34.A O no hydrogen 2.954 N/A THR 37.A OG1 LYS 33.A O no hydrogen 3.351 N/A GLU 38.A N ARG 34.A O no hydrogen 2.806 N/A ASN 40.A N GLU 38.A OE1 no hydrogen 2.736 N/A GLN 43.A N ASN 40.A OD1 no hydrogen 2.798 N/A ALA 44.A N ASN 40.A O no hydrogen 2.796 N/A SER 45.A N GLU 41.A O no hydrogen 3.041 N/A SER 45.A OG GLU 42.A O no hydrogen 2.610 N/A HIS 46.A N GLN 43.A O no hydrogen 3.146 N/A HIS 46.A NE2 GLU 42.A OE2 no hydrogen 2.914 N/A LEU 47.A N GLN 43.A O no hydrogen 3.179 N/A ARG 48.A N ALA 44.A O no hydrogen 3.084 N/A ARG 48.A NH2 GLU 41.A OE1 no hydrogen 2.792 N/A HIS 49.A N SER 45.A O no hydrogen 3.234 N/A SER 50.A N HIS 46.A O no hydrogen 2.911 N/A SER 50.A OG HIS 46.A O no hydrogen 3.350 N/A LEU 51.A N LEU 47.A O no hydrogen 2.809 N/A ASP 52.A N ARG 48.A O no hydrogen 2.893 N/A ASN 53.A N HIS 49.A O no hydrogen 3.140 N/A PHE 54.A N SER 50.A O no hydrogen 2.873 N/A VAL 55.A N LEU 51.A O no hydrogen 2.907 N/A ALA 56.A N ASP 52.A O no hydrogen 3.003 N/A GLN 57.A N ASN 53.A O no hydrogen 2.859 N/A ALA 58.A N PHE 54.A O no hydrogen 2.776 N/A THR 59.A N VAL 55.A O no hydrogen 2.974 N/A THR 59.A OG1 VAL 55.A O no hydrogen 3.002 N/A ASP 60.A N ALA 56.A O no hydrogen 2.943 N/A LEU 61.A N GLN 57.A O no hydrogen 2.976 N/A GLN 62.A N ALA 58.A O no hydrogen 2.869 N/A PHE 63.A N THR 59.A O no hydrogen 3.270 N/A LYS 64.A N ASP 60.A O no hydrogen 3.146 N/A LYS 64.A NZ GLU 68.A OE2 no hydrogen 2.577 N/A LEU 65.A N LEU 61.A O no hydrogen 2.716 N/A LYS 66.A N GLN 62.A O no hydrogen 2.957 N/A LYS 66.A NZ ASP 181.A OD2 no hydrogen 2.655 N/A ASN 67.A N PHE 63.A O no hydrogen 3.239 N/A GLU 68.A N LYS 64.A O no hydrogen 2.868 N/A ILE 69.A N LEU 65.A O no hydrogen 2.856 N/A LYS 70.A N LYS 66.A O no hydrogen 3.116 N/A LYS 70.A NZ ASP 181.A O no hydrogen 2.776 N/A SER 71.A N ASN 67.A O no hydrogen 3.057 N/A ALA 72.A N GLU 68.A O no hydrogen 2.816 N/A GLN 73.A N ILE 69.A O no hydrogen 2.722 N/A ARG 74.A N LYS 70.A O no hydrogen 3.019 N/A ARG 74.A NH1 ILE 187.A O no hydrogen 2.799 N/A ASP 75.A N SER 71.A O no hydrogen 3.222 N/A GLY 76.A N GLN 73.A O no hydrogen 3.232 N/A ILE 77.A N ARG 74.A O no hydrogen 3.086 N/A HIS 78.A NE2 GLU 188.A OE2 no hydrogen 2.681 N/A ASP 79.A N GLY 76.A O no hydrogen 3.227 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.818 N/A GLN 83.A N ASP 79.A O no hydrogen 2.833 N/A ALA 84.A N THR 80.A O no hydrogen 2.983 N/A GLN 85.A N ASN 81.A O no hydrogen 3.161 N/A ALA 86.A N LYS 82.A O no hydrogen 3.067 N/A GLU 87.A N GLN 83.A O no hydrogen 2.896 N/A ASN 88.A N ALA 84.A O no hydrogen 2.899 N/A SER 89.A N GLN 85.A O no hydrogen 3.049 N/A SER 89.A OG GLN 85.A O no hydrogen 3.340 N/A ARG 90.A N ALA 86.A O no hydrogen 2.799 N/A ARG 90.A NE GLU 87.A OE1 no hydrogen 2.796 N/A ARG 90.A NH1 MET 182.A O no hydrogen 2.913 N/A ARG 90.A NH2 GLU 87.A OE1 no hydrogen 3.293 N/A ARG 90.A NH2 GLU 87.A OE2 no hydrogen 2.761 N/A GLN 91.A N GLU 87.A O no hydrogen 2.812 N/A GLN 91.A NE2 GLU 87.A OE2 no hydrogen 2.681 N/A ARG 92.A N ASN 88.A O no hydrogen 3.167 N/A ARG 92.A NH1 ASN 15.A O no hydrogen 3.249 N/A ARG 92.A NH2 ASP 19.A OD1 no hydrogen 2.413 N/A PHE 93.A N SER 89.A O no hydrogen 2.940 N/A LEU 94.A N ARG 90.A O no hydrogen 2.968 N/A LYS 95.A N GLN 91.A O no hydrogen 3.184 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 2.923 N/A LEU 96.A N ARG 92.A O no hydrogen 3.121 N/A ILE 97.A N PHE 93.A O no hydrogen 2.890 N/A GLN 98.A N LEU 94.A O no hydrogen 3.026 N/A ASP 99.A N LYS 95.A O no hydrogen 2.868 N/A TYR 100.A N LEU 96.A O no hydrogen 2.898 N/A ARG 101.A N ILE 97.A O no hydrogen 2.964 N/A ARG 101.A NH1 GLN 98.A OE1 no hydrogen 2.831 N/A ARG 101.A NH2 THR 176.A OG1 no hydrogen 2.497 N/A ILE 102.A N GLN 98.A O no hydrogen 2.983 N/A VAL 103.A N ASP 99.A O no hydrogen 2.889 N/A ASP 104.A N TYR 100.A O no hydrogen 2.945 N/A SER 105.A N ARG 101.A O no hydrogen 2.864 N/A ASN 106.A N ILE 102.A O no hydrogen 2.848 N/A TYR 107.A N VAL 103.A O no hydrogen 3.175 N/A LYS 108.A N ASP 104.A O no hydrogen 2.858 N/A LYS 108.A NZ GLU 169.A OE2 no hydrogen 3.123 N/A GLU 109.A N SER 105.A O no hydrogen 3.024 N/A GLU 110.A N ASN 106.A O no hydrogen 3.126 N/A ASN 111.A N TYR 107.A O no hydrogen 2.930 N/A ASN 111.A ND2 ARG 161.A O no hydrogen 3.405 N/A LYS 112.A N LYS 108.A O no hydrogen 2.982 N/A LYS 112.A NZ GLU 109.A OE1 no hydrogen 2.751 N/A LYS 112.A NZ GLU 109.A OE2 no hydrogen 2.655 N/A GLU 113.A N GLU 109.A O no hydrogen 3.007 N/A GLN 114.A N GLU 110.A O no hydrogen 3.035 N/A ALA 115.A N ASN 111.A O no hydrogen 3.070 N/A LYS 116.A N LYS 112.A O no hydrogen 2.907 N/A LYS 116.A NZ GLU 132.A OE2 no hydrogen 2.956 N/A ARG 117.A N GLU 113.A O no hydrogen 2.923 N/A ARG 117.A NH1 GLU 113.A OE2 no hydrogen 3.405 N/A GLN 118.A N GLN 114.A O no hydrogen 2.966 N/A GLN 118.A NE2 ALA 154.A O no hydrogen 3.372 N/A TYR 119.A N ALA 115.A O no hydrogen 3.304 N/A MET 120.A N LYS 116.A O no hydrogen 2.947 N/A ILE 121.A N ARG 117.A O no hydrogen 2.964 N/A ILE 122.A N TYR 119.A O no hydrogen 2.746 N/A GLN 123.A N TYR 119.A O no hydrogen 2.653 N/A ALA 126.A N GLN 123.A O no hydrogen 2.735 N/A THR 127.A N GLU 130.A OE1 no hydrogen 2.518 N/A THR 127.A OG1 GLU 130.A OE1 no hydrogen 3.027 N/A GLU 130.A N THR 127.A OG1 no hydrogen 3.329 N/A VAL 131.A N THR 127.A O no hydrogen 2.831 N/A GLU 132.A N GLU 128.A O no hydrogen 2.679 N/A ALA 133.A N ASP 129.A O no hydrogen 2.815 N/A ALA 134.A N GLU 130.A O no hydrogen 2.822 N/A ILE 135.A N VAL 131.A O no hydrogen 3.316 N/A SER 136.A N ALA 133.A O no hydrogen 3.042 N/A SER 136.A OG ALA 133.A O no hydrogen 2.553 N/A GLY 139.A N SER 136.A OG no hydrogen 2.963 N/A GLY 140.A N SER 136.A O no hydrogen 2.942 N/A GLN 141.A N ASP 137.A O no hydrogen 3.185 N/A GLN 142.A N VAL 138.A O no hydrogen 2.868 N/A ILE 143.A N GLY 139.A O no hydrogen 3.016 N/A PHE 144.A N GLY 140.A O no hydrogen 2.896 N/A SER 145.A N GLN 141.A O no hydrogen 2.809 N/A SER 145.A OG GLN 141.A O no hydrogen 3.111 N/A GLN 146.A N GLN 142.A O no hydrogen 2.745 N/A ALA 147.A N ILE 143.A O no hydrogen 2.907 N/A LEU 148.A N PHE 144.A O no hydrogen 3.163 N/A LEU 148.A N SER 145.A O no hydrogen 2.635 N/A LEU 155.A N ALA 151.A O no hydrogen 2.762 N/A ALA 156.A N LYS 152.A O no hydrogen 2.731 N/A GLU 157.A N THR 153.A O no hydrogen 2.904 N/A VAL 158.A N ALA 154.A O no hydrogen 2.924 N/A GLN 159.A N LEU 155.A O no hydrogen 2.865 N/A ALA 160.A N ALA 156.A O no hydrogen 2.947 N/A ARG 161.A N GLU 157.A O no hydrogen 3.001 N/A ARG 161.A NH1 GLN 118.A OE1 no hydrogen 2.756 N/A ARG 161.A NH2 GLU 157.A OE1 no hydrogen 2.795 N/A HIS 162.A N VAL 158.A O no hydrogen 2.766 N/A HIS 162.A NE2 ASP 137.A OD1 no hydrogen 3.170 N/A GLN 163.A N GLN 159.A O no hydrogen 2.828 N/A GLU 164.A N ALA 160.A O no hydrogen 3.108 N/A LEU 165.A N ARG 161.A O no hydrogen 2.941 N/A LEU 166.A N HIS 162.A O no hydrogen 2.989 N/A LYS 167.A N GLN 163.A O no hydrogen 3.062 N/A LYS 167.A NZ ASP 52.A OD1 no hydrogen 3.498 N/A LYS 167.A NZ GLU 164.A OE2 no hydrogen 3.470 N/A LEU 168.A N GLU 164.A O no hydrogen 3.082 N/A GLU 169.A N LEU 165.A O no hydrogen 2.884 N/A LYS 170.A N LEU 166.A O no hydrogen 2.953 N/A SER 171.A N LYS 167.A O no hydrogen 2.973 N/A SER 171.A OG LYS 167.A O no hydrogen 3.562 N/A MET 172.A N LEU 168.A O no hydrogen 2.809 N/A ALA 173.A N GLU 169.A O no hydrogen 2.962 N/A GLU 174.A N LYS 170.A O no hydrogen 2.996 N/A LEU 175.A N SER 171.A O no hydrogen 2.779 N/A THR 176.A N MET 172.A O no hydrogen 2.950 N/A THR 176.A OG1 MET 172.A O no hydrogen 3.344 N/A GLN 177.A N ALA 173.A O no hydrogen 3.078 N/A LEU 178.A N GLU 174.A O no hydrogen 2.845 N/A PHE 179.A N LEU 175.A O no hydrogen 2.722 N/A ASN 180.A N THR 176.A O no hydrogen 2.993 N/A ASP 181.A N GLN 177.A O no hydrogen 2.832 N/A MET 182.A N LEU 178.A O no hydrogen 2.841 N/A GLU 183.A N PHE 179.A O no hydrogen 3.011 N/A GLU 183.A N ASN 180.A O no hydrogen 3.247 N/A GLU 184.A N ASN 180.A O no hydrogen 3.241 N/A GLU 184.A N ASP 181.A O no hydrogen 3.289 N/A