Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ioi_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 25.A O no hydrogen 2.845 N/A VAL 5.A N ALA 23.A O no hydrogen 2.916 N/A GLU 6.A N GLU 6.A OE2 no hydrogen 2.851 N/A SER 7.A N SER 21.A O no hydrogen 2.914 N/A VAL 12.A N THR 117.A O no hydrogen 2.854 N/A GLY 15.A N LEU 86.A O no hydrogen 2.685 N/A GLY 16.A N GLN 13.A O no hydrogen 2.886 N/A SER 17.A OG ASN 84.A OD1 no hydrogen 2.683 N/A LEU 18.A N MET 83.A O no hydrogen 2.852 N/A ARG 19.A NH1 GLN 82.A OE1 no hydrogen 3.071 N/A LEU 20.A N LEU 81.A O no hydrogen 2.910 N/A SER 21.A N SER 7.A O no hydrogen 2.847 N/A CYS 22.A N ALA 79.A O no hydrogen 2.680 N/A ALA 23.A N VAL 5.A O no hydrogen 2.884 N/A ALA 24.A N ASN 77.A O no hydrogen 3.015 N/A SER 25.A N GLN 3.A O no hydrogen 2.906 N/A ILE 29.A N ASN 77.A OD1 no hydrogen 2.928 N/A ASP 31.A N ASN 28.A O no hydrogen 2.858 N/A THR 32.A N ILE 29.A O no hydrogen 3.268 N/A THR 32.A OG1 TYR 33.A O no hydrogen 2.931 N/A TYR 33.A N TRP 99.A O no hydrogen 2.928 N/A ILE 34.A N ILE 51.A O no hydrogen 3.044 N/A HIS 35.A N SER 97.A O no hydrogen 2.842 N/A TRP 36.A N ALA 49.A O no hydrogen 2.788 N/A VAL 37.A N TYR 95.A O no hydrogen 2.882 N/A ARG 38.A N GLU 46.A O no hydrogen 2.918 N/A ARG 38.A NE GLU 46.A OE1 no hydrogen 2.944 N/A ARG 38.A NH1 ASP 90.A OD1 no hydrogen 2.896 N/A ARG 38.A NH1 TYR 94.A OH no hydrogen 2.954 N/A ARG 38.A NH2 GLU 46.A OE1 no hydrogen 3.274 N/A ARG 38.A NH2 GLU 46.A OE2 no hydrogen 3.014 N/A GLN 39.A N ILE 93.A O no hydrogen 2.869 N/A SER 40.A N GLY 44.A O no hydrogen 3.159 N/A LYS 43.A N SER 40.A OG no hydrogen 3.143 N/A GLY 44.A N SER 40.A O no hydrogen 2.776 N/A GLU 46.A N ARG 38.A O no hydrogen 2.856 N/A TRP 47.A NE1 HIS 35.A ND1 no hydrogen 2.936 N/A VAL 48.A N TRP 36.A O no hydrogen 2.882 N/A ALA 49.A N TRP 36.A O no hydrogen 3.251 N/A ARG 50.A N ARG 59.A O no hydrogen 3.008 N/A ILE 51.A N ILE 34.A O no hydrogen 2.909 N/A TYR 52.A N TYR 57.A O no hydrogen 3.024 N/A THR 54.A OG1 LYS 30.A O no hydrogen 2.366 N/A ASN 55.A N TYR 52.A O no hydrogen 2.920 N/A GLY 56.A N TYR 52.A O no hydrogen 2.718 N/A TYR 57.A N ASN 55.A OD1 no hydrogen 3.011 N/A ARG 59.A N ARG 50.A O no hydrogen 3.113 N/A ARG 59.A NH1.B THR 58.A O no hydrogen 2.742 N/A ALA 61.A N VAL 48.A O no hydrogen 2.955 N/A SER 63.A OG GLU 46.A OE2 no hydrogen 3.288 N/A VAL 64.A N ALA 61.A O no hydrogen 3.018 N/A LYS 65.A N ALA 61.A O no hydrogen 3.171 N/A ARG 67.A N VAL 64.A O no hydrogen 2.924 N/A ARG 67.A NH1 SER 85.A O no hydrogen 3.060 N/A ARG 67.A NH1 ASP 90.A OD2 no hydrogen 2.716 N/A ARG 67.A NH2 SER 63.A O no hydrogen 2.976 N/A ARG 67.A NH2 ASP 90.A OD1 no hydrogen 2.940 N/A ARG 67.A NH2 ASP 90.A OD2 no hydrogen 3.532 N/A PHE 68.A N VAL 64.A O no hydrogen 3.062 N/A THR 69.A N GLN 82.A O no hydrogen 2.953 N/A ILE 70.A N TYR 60.A OH no hydrogen 2.924 N/A SER 71.A N TYR 80.A O no hydrogen 3.151 N/A ASP 73.A N THR 78.A O no hydrogen 2.863 N/A SER 75.A N ASP 73.A OD1 no hydrogen 2.930 N/A SER 75.A OG ASP 73.A OD1 no hydrogen 2.586 N/A SER 75.A OG ASP 73.A OD2 no hydrogen 3.414 N/A LYS 76.A N ASP 73.A O no hydrogen 3.190 N/A ASN 77.A N THR 74.A O no hydrogen 3.087 N/A ASN 77.A ND2 ALA 24.A O no hydrogen 3.242 N/A ASN 77.A ND2 PHE 27.A O no hydrogen 2.765 N/A THR 78.A N ASP 73.A O no hydrogen 3.182 N/A THR 78.A OG1 LYS 76.A O no hydrogen 2.727 N/A ALA 79.A N CYS 22.A O no hydrogen 2.878 N/A TYR 80.A N SER 71.A O no hydrogen 2.893 N/A LEU 81.A N LEU 20.A O no hydrogen 2.959 N/A GLN 82.A N THR 69.A O no hydrogen 2.821 N/A GLN 82.A NE2 ASN 84.A OD1 no hydrogen 2.851 N/A MET 83.A N LEU 18.A O no hydrogen 2.761 N/A ASN 84.A N ARG 67.A O no hydrogen 2.825 N/A LEU 86.A N GLY 16.A O no hydrogen 3.233 N/A ARG 87.A N ASP 90.A OD2 no hydrogen 2.729 N/A ARG 87.A NE GLU 89.A OE2 no hydrogen 2.944 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.944 N/A ASP 90.A N ARG 87.A O no hydrogen 2.876 N/A THR 91.A N ALA 88.A O no hydrogen 3.085 N/A THR 91.A OG1 ALA 88.A O no hydrogen 3.093 N/A ALA 92.A N VAL 116.A O no hydrogen 2.983 N/A ILE 93.A N GLN 39.A O no hydrogen 3.022 N/A TYR 94.A N THR 114.A O no hydrogen 2.775 N/A TYR 94.A OH ASP 90.A O no hydrogen 2.646 N/A TYR 95.A N VAL 37.A O no hydrogen 2.724 N/A TYR 95.A OH GLN 39.A OE1 no hydrogen 2.747 N/A CYS 96.A N GLU 6.A OE1 no hydrogen 2.763 N/A CYS 96.A SG.A GLU 6.A OE1 no hydrogen 3.784 N/A CYS 96.A SG.B HIS 35.A O no hydrogen 3.937 N/A SER 97.A N HIS 35.A O no hydrogen 3.004 N/A ARG 98.A N TYR 109.A O no hydrogen 3.235 N/A ARG 98.A NE ASP 108.A OD1 no hydrogen 2.716 N/A ARG 98.A NH2 ASP 102.A OD2 no hydrogen 3.212 N/A ARG 98.A NH2 ASP 108.A OD2 no hydrogen 2.842 N/A TRP 99.A N TYR 33.A O no hydrogen 2.975 N/A GLY 100.A N PHE 104.A O no hydrogen 3.094 N/A GLY 103.A N GLY 100.A O no hydrogen 3.272 N/A PHE 104.A N GLY 101.A O no hydrogen 3.023 N/A ALA 106.A N PHE 104.A O no hydrogen 2.891 N/A TRP 110.A NE1 MET 107.A O no hydrogen 3.062 N/A GLY 111.A N CYS 96.A O no hydrogen 3.006 N/A GLN 112.A N GLN 112.A OE1 no hydrogen 2.811 N/A GLN 112.A NE2 GLU 6.A O no hydrogen 2.896 N/A GLN 112.A NE2 GLY 113.A O no hydrogen 3.684 N/A GLY 113.A N GLU 6.A OE2 no hydrogen 2.663 N/A THR 114.A N TYR 94.A O no hydrogen 2.807 N/A VAL 116.A N ALA 92.A O no hydrogen 2.912 N/A THR 117.A N GLY 10.A O no hydrogen 3.056 N/A VAL 118.A N THR 91.A OG1 no hydrogen 2.873 N/A SER 119.A N VAL 12.A O no hydrogen 2.837 N/A ALA 121.A N SER 119.A OG no hydrogen 3.072 N/A LYS 124.A N PHE 153.A O no hydrogen 2.714 N/A LYS 124.A NZ GLY 125.A O no hydrogen 3.289 N/A LYS 124.A NZ ASP 151.A O no hydrogen 3.108 N/A SER 127.A N LYS 150.A O no hydrogen 2.884 N/A PHE 129.A N LEU 148.A O no hydrogen 2.825 N/A LEU 131.A N GLY 146.A O no hydrogen 2.831 N/A SER 134.A N SER 137.A OG no hydrogen 2.884 N/A LYS 136.A N SER 134.A OG no hydrogen 2.957 N/A SER 137.A N SER 134.A O no hydrogen 2.837 N/A SER 137.A OG SER 134.A O no hydrogen 3.227 N/A SER 137.A OG ALA 144.A O no hydrogen 2.814 N/A THR 138.A OG1 THR 142.A O no hydrogen 2.914 N/A THR 138.A OG1 SER 193.A OG no hydrogen 2.984 N/A SER 139.A N THR 142.A O no hydrogen 2.917 N/A THR 142.A N SER 139.A O no hydrogen 2.883 N/A THR 142.A OG1 SER 139.A O no hydrogen 2.969 N/A ALA 143.A N VAL 191.A O no hydrogen 2.737 N/A ALA 144.A N SER 137.A O no hydrogen 2.712 N/A LEU 145.A N VAL 189.A O no hydrogen 2.996 N/A GLY 146.A N LEU 131.A O no hydrogen 2.826 N/A CYS 147.A N SER 187.A O no hydrogen 2.893 N/A LEU 148.A N PHE 129.A O no hydrogen 2.736 N/A VAL 149.A N LEU 185.A O no hydrogen 2.724 N/A LYS 150.A N SER 127.A O no hydrogen 2.844 N/A LYS 150.A NZ ASP 151.A OD1 no hydrogen 3.004 N/A LYS 150.A NZ ASP 151.A OD2 no hydrogen 3.071 N/A LYS 150.A NZ GLN 178.A OE1 no hydrogen 3.260 N/A TYR 152.A N TYR 183.A O no hydrogen 2.998 N/A TYR 152.A OH GLU 155.A OE2 no hydrogen 2.814 N/A PHE 153.A N LYS 124.A O no hydrogen 2.981 N/A THR 158.A N ASN 206.A O no hydrogen 2.890 N/A SER 160.A N ASN 204.A O no hydrogen 2.943 N/A SER 160.A OG ASN 204.A OD1 no hydrogen 2.784 N/A TRP 161.A NE1 SER 187.A OG no hydrogen 3.084 N/A ASN 162.A N ILE 202.A O no hydrogen 2.819 N/A ASN 162.A ND2 THR 200.A O no hydrogen 3.108 N/A SER 163.A N ASN 204.A OD1 no hydrogen 2.711 N/A GLY 164.A N TRP 161.A O no hydrogen 2.926 N/A ALA 165.A N ASN 162.A O no hydrogen 3.004 N/A LEU 166.A N TRP 161.A O no hydrogen 3.196 N/A VAL 170.A N THR 167.A O no hydrogen 3.309 N/A HIS 171.A N VAL 188.A O no hydrogen 2.765 N/A THR 172.A OG1 SER 187.A OG no hydrogen 2.599 N/A PHE 173.A N SER 186.A O no hydrogen 2.879 N/A VAL 176.A N SER 184.A O no hydrogen 2.960 N/A GLN 178.A N LEU 182.A O no hydrogen 2.813 N/A GLN 178.A NE2 ASP 151.A OD1 no hydrogen 2.775 N/A GLN 178.A NE2 LEU 182.A O no hydrogen 3.208 N/A GLY 181.A N GLN 178.A O no hydrogen 2.979 N/A LEU 182.A N SER 180.A OG no hydrogen 3.356 N/A TYR 183.A N TYR 152.A O no hydrogen 2.703 N/A SER 184.A N VAL 176.A O no hydrogen 2.992 N/A SER 184.A OG.A VAL 149.A O no hydrogen 3.395 N/A LEU 185.A N VAL 149.A O no hydrogen 2.935 N/A SER 187.A N CYS 147.A O no hydrogen 2.986 N/A SER 187.A OG THR 172.A OG1 no hydrogen 2.599 N/A VAL 188.A N HIS 171.A O no hydrogen 2.740 N/A VAL 189.A N LEU 145.A O no hydrogen 2.861 N/A THR 190.A N GLY 169.A O no hydrogen 3.397 N/A VAL 191.A N ALA 143.A O no hydrogen 2.786 N/A SER 193.A N GLY 141.A O no hydrogen 2.866 N/A SER 193.A OG THR 138.A OG1 no hydrogen 2.984 N/A SER 195.A N PRO 192.A O no hydrogen 3.098 N/A SER 195.A OG PRO 192.A O no hydrogen 2.739 N/A SER 195.A OG TYR 201.A OH no hydrogen 2.824 N/A LEU 196.A N SER 193.A O no hydrogen 3.336 N/A THR 198.A N SER 195.A O no hydrogen 3.113 N/A THR 198.A OG1 SER 195.A O no hydrogen 3.093 N/A GLN 199.A N SER 195.A O no hydrogen 2.870 N/A GLN 199.A NE2 THR 200.A O no hydrogen 3.056 N/A TYR 201.A OH SER 195.A OG no hydrogen 2.824 N/A ILE 202.A N ASN 162.A OD1 no hydrogen 2.855 N/A CYS 203.A N LYS 216.A O no hydrogen 2.981 N/A CYS 203.A SG LYS 216.A O no hydrogen 3.966 N/A ASN 204.A N SER 160.A O no hydrogen 2.705 N/A ASN 204.A ND2 ASP 215.A OD1 no hydrogen 2.882 N/A VAL 205.A N VAL 214.A O no hydrogen 2.695 N/A ASN 206.A N THR 158.A O no hydrogen 2.931 N/A ASN 206.A ND2.B VAL 205.A O no hydrogen 2.710 N/A HIS 207.A N THR 212.A O no hydrogen 2.851 N/A HIS 207.A ND1 SER 210.A OG no hydrogen 2.569 N/A HIS 207.A NE2 PRO 154.A O no hydrogen 2.826 N/A SER 210.A N HIS 207.A O no hydrogen 3.135 N/A SER 210.A OG HIS 207.A ND1 no hydrogen 2.569 N/A SER 210.A OG HIS 207.A O no hydrogen 3.285 N/A SER 210.A OG THR 212.A OG1 no hydrogen 2.557 N/A ASN 211.A N LYS 208.A O no hydrogen 3.197 N/A THR 212.A N HIS 207.A O no hydrogen 3.143 N/A THR 212.A OG1 SER 210.A O no hydrogen 3.484 N/A THR 212.A OG1 SER 210.A OG no hydrogen 2.557 N/A VAL 214.A N VAL 205.A O no hydrogen 2.871 N/A LYS 216.A N CYS 203.A O no hydrogen 3.002 N/A LYS 216.A NZ.A VAL 128.A O no hydrogen 3.476 N/A LYS 217.A NZ GLU 219.A OE2 no hydrogen 2.866 N/A VAL 218.A N TYR 201.A O no hydrogen 2.920 N/A