Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cle_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 25.A O no hydrogen 2.898 N/A GLN 5.A N LYS 23.A O no hydrogen 2.682 N/A SER 7.A N SER 21.A O no hydrogen 3.149 N/A SER 7.A OG SER 21.A O no hydrogen 3.331 N/A SER 7.A OG SER 21.A OG no hydrogen 3.371 N/A GLU 10.A N THR 113.A O no hydrogen 2.913 N/A VAL 12.A N THR 115.A O no hydrogen 3.132 N/A GLY 15.A N LEU 86C.A O no hydrogen 2.838 N/A ALA 16.A N ARG 13.A O no hydrogen 3.140 N/A SER 17.A OG LEU 83.A O no hydrogen 3.172 N/A VAL 18.A N LEU 83.A O no hydrogen 3.100 N/A MET 20.A N MET 81.A O no hydrogen 2.944 N/A SER 21.A N SER 7.A OG no hydrogen 2.893 N/A CYS 22.A N ALA 79.A O no hydrogen 2.958 N/A LYS 23.A N GLN 5.A O no hydrogen 2.793 N/A ALA 24.A N SER 77.A O no hydrogen 2.937 N/A SER 25.A N GLN 3.A O no hydrogen 3.123 N/A ARG 28.A NH1 THR 30.A OG1 no hydrogen 3.050 N/A SER 31.A N ARG 28.A O no hydrogen 2.910 N/A MET 34.A N ILE 51.A O no hydrogen 2.990 N/A HIS 35.A N ALA 97.A O no hydrogen 2.868 N/A TRP 36.A N GLY 49.A O no hydrogen 3.166 N/A VAL 37.A N PHE 95.A O no hydrogen 2.911 N/A LYS 38.A N GLU 46.A O no hydrogen 2.829 N/A LYS 38.A NZ GLU 89.A O no hydrogen 3.204 N/A GLN 39.A N VAL 93.A O no hydrogen 2.939 N/A THR 40.A N GLY 44.A O no hydrogen 3.192 N/A GLY 44.A N THR 40.A O no hydrogen 2.559 N/A GLU 46.A N LYS 38.A O no hydrogen 2.772 N/A TRP 47.A NE1 HIS 35.A ND1 no hydrogen 2.983 N/A ILE 48.A N TRP 36.A O no hydrogen 2.847 N/A ALA 50.A N SER 59.A O no hydrogen 2.929 N/A ILE 51.A N MET 34.A O no hydrogen 2.952 N/A TYR 52.A N ASP 57.A O no hydrogen 2.845 N/A ASN 55.A N TYR 52.A O no hydrogen 3.270 N/A GLY 56.A N TYR 52.A O no hydrogen 2.699 N/A ASP 57.A N ASN 55.A OD1 no hydrogen 2.549 N/A SER 59.A N ALA 50.A O no hydrogen 2.958 N/A ASN 61.A N ILE 48.A O no hydrogen 2.917 N/A ASN 61.A ND2 TRP 47.A O no hydrogen 2.766 N/A LYS 63.A N ASN 61.A OD1 no hydrogen 3.013 N/A LYS 63.A NZ GLU 46.A OE1 no hydrogen 3.159 N/A PHE 64.A N ASN 61.A O no hydrogen 2.662 N/A LYS 65.A N GLN 62.A O no hydrogen 3.176 N/A LYS 67.A N PHE 64.A O no hydrogen 2.902 N/A LYS 67.A NZ ASP 90.A OD2 no hydrogen 2.956 N/A LYS 67.A NZ SER 84A.A O no hydrogen 2.986 N/A LYS 67.A NZ SER 85B.A O no hydrogen 3.161 N/A ALA 68.A N PHE 64.A O no hydrogen 2.915 N/A THR 69.A N GLN 82.A O no hydrogen 2.978 N/A LEU 70.A N TYR 60.A OH no hydrogen 2.660 N/A THR 71.A N TYR 80.A O no hydrogen 3.071 N/A ASP 73.A N THR 78.A O no hydrogen 2.758 N/A LYS 74.A NZ GLY 54.A O no hydrogen 3.388 N/A SER 76.A OG ASP 73.A O no hydrogen 3.553 N/A SER 76.A OG THR 78.A OG1 no hydrogen 3.001 N/A SER 77.A N LYS 74.A O no hydrogen 3.161 N/A THR 78.A N ASP 73.A O no hydrogen 3.138 N/A THR 78.A OG1 SER 76.A O no hydrogen 2.662 N/A THR 78.A OG1 SER 76.A OG no hydrogen 3.001 N/A ALA 79.A N CYS 22.A O no hydrogen 3.013 N/A TYR 80.A N THR 71.A O no hydrogen 2.730 N/A MET 81.A N MET 20.A O no hydrogen 3.084 N/A GLN 82.A N THR 69.A O no hydrogen 2.914 N/A LEU 83.A N VAL 18.A O no hydrogen 2.962 N/A THR 87.A N ASP 90.A OD2 no hydrogen 3.031 N/A GLU 89.A N THR 87.A OG1 no hydrogen 3.020 N/A ASP 90.A N THR 87.A O no hydrogen 2.904 N/A SER 91.A N SER 88.A O no hydrogen 3.287 N/A SER 91.A OG SER 88.A O no hydrogen 3.162 N/A ALA 92.A N LEU 114.A O no hydrogen 3.128 N/A VAL 93.A N GLN 39.A O no hydrogen 3.211 N/A TYR 94.A N SER 112.A O no hydrogen 2.809 N/A TYR 94.A OH ASP 90.A O no hydrogen 2.700 N/A PHE 95.A N VAL 37.A O no hydrogen 2.994 N/A CYS 96.A N GLU 6.A OE2 no hydrogen 3.231 N/A ALA 97.A N HIS 35.A O no hydrogen 2.871 N/A ARG 98.A N TYR 107.A O no hydrogen 2.915 N/A ARG 98.A NE ASP 106.A OD1 no hydrogen 3.275 N/A ARG 98.A NE ASP 106.A OD2 no hydrogen 3.012 N/A ARG 98.A NH2 ASP 106.A OD1 no hydrogen 2.544 N/A GLY 99.A N ASN 33.A O no hydrogen 2.876 N/A ARG 100.A N GLY 104.A O no hydrogen 2.766 N/A ARG 100.A NE ASP 106.A OD1 no hydrogen 2.842 N/A TRP 108.A NE1 PHE 105A.A O no hydrogen 3.022 N/A GLY 109.A N CYS 96.A O no hydrogen 2.818 N/A SER 112.A N TYR 94.A O no hydrogen 2.691 N/A SER 112.A OG GLU 6.A OE1 no hydrogen 3.484 N/A SER 112.A OG SER 7.A O no hydrogen 2.699 N/A LEU 114.A N ALA 92.A O no hydrogen 2.810 N/A THR 115.A N GLU 10.A O no hydrogen 2.892 N/A VAL 116.A N SER 91.A OG no hydrogen 3.134 N/A SER 117.A N VAL 12.A O no hydrogen 2.818 N/A SER 118.A OG ASP 178.A OD1 no hydrogen 3.527 N/A SER 118.A OG ASP 178.A OD2 no hydrogen 3.545 N/A ALA 119.A N SER 117.A OG no hydrogen 2.931 N/A THR 122.A N PHE 151.A O no hydrogen 2.622 N/A THR 122.A OG1 LYS 120.A O no hydrogen 2.635 N/A SER 125.A N LYS 148.A O no hydrogen 2.961 N/A TYR 127.A N LEU 146.A O no hydrogen 2.781 N/A LEU 129.A N GLY 144.A O no hydrogen 2.896 N/A GLY 134.A N PRO 131.A O no hydrogen 2.665 N/A ASP 135.A N VAL 132.A O no hydrogen 3.110 N/A THR 136.A OG1 SER 140.A O no hydrogen 2.391 N/A VAL 141.A N VAL 188.A O no hydrogen 2.770 N/A THR 142.A OG1 THR 187.A OG1 no hydrogen 2.911 N/A LEU 143.A N VAL 186.A O no hydrogen 2.851 N/A GLY 144.A N LEU 129.A O no hydrogen 2.958 N/A CYS 145.A N SER 184.A O no hydrogen 2.666 N/A LEU 146.A N TYR 127.A O no hydrogen 2.770 N/A VAL 147.A N LEU 182.A O no hydrogen 3.025 N/A LYS 148.A N SER 125.A O no hydrogen 3.130 N/A GLY 149.A N TYR 180.A O no hydrogen 2.923 N/A TYR 150.A N TYR 180.A O no hydrogen 3.173 N/A TYR 150.A OH GLU 153.A OE2 no hydrogen 3.091 N/A PHE 151.A N THR 122.A O no hydrogen 2.955 N/A THR 156.A N ALA 203.A O no hydrogen 2.866 N/A THR 158.A N ASN 201.A O no hydrogen 2.994 N/A THR 158.A OG1 ASN 201.A OD1 no hydrogen 2.912 N/A TRP 159.A NE1 SER 184.A OG no hydrogen 3.129 N/A ASN 160.A N THR 199.A O no hydrogen 2.757 N/A ASN 160.A ND2 SER 197.A O no hydrogen 3.268 N/A SER 161.A N ASN 201.A OD1 no hydrogen 2.632 N/A GLY 162.A N TRP 159.A O no hydrogen 3.169 N/A SER 163.A N ASN 160.A O no hydrogen 3.165 N/A SER 163.A OG ASN 160.A O no hydrogen 2.573 N/A LEU 164.A N TRP 159.A O no hydrogen 3.254 N/A HIS 169.A N SER 185.A O no hydrogen 2.900 N/A THR 170.A OG1 SER 184.A OG no hydrogen 3.126 N/A PHE 171.A N SER 183.A O no hydrogen 2.839 N/A VAL 174.A N THR 181.A O no hydrogen 3.063 N/A GLN 176.A N LEU 179.A O no hydrogen 2.782 N/A LEU 179.A N GLN 176.A O no hydrogen 3.144 N/A TYR 180.A N TYR 150.A O no hydrogen 2.943 N/A THR 181.A N VAL 174.A O no hydrogen 3.097 N/A LEU 182.A N VAL 147.A O no hydrogen 2.715 N/A SER 184.A N CYS 145.A O no hydrogen 3.058 N/A SER 184.A OG HIS 169.A O no hydrogen 3.451 N/A SER 184.A OG THR 170.A OG1 no hydrogen 3.126 N/A SER 185.A N HIS 169.A O no hydrogen 2.854 N/A VAL 186.A N LEU 143.A O no hydrogen 2.876 N/A THR 187.A N GLY 167.A O no hydrogen 2.901 N/A THR 187.A OG1 THR 142.A OG1 no hydrogen 2.911 N/A VAL 188.A N VAL 141.A O no hydrogen 2.916 N/A THR 189.A OG1 SER 191.A OG no hydrogen 3.274 N/A THR 189.A OG1 THR 192.A OG1 no hydrogen 2.492 N/A SER 190.A N SER 139.A O no hydrogen 3.008 N/A SER 190.A OG GLY 138.A O no hydrogen 3.202 N/A SER 191.A OG THR 189.A OG1 no hydrogen 3.274 N/A THR 192.A N THR 189.A O no hydrogen 2.744 N/A THR 192.A OG1 THR 189.A O no hydrogen 3.231 N/A THR 192.A OG1 THR 189.A OG1 no hydrogen 2.492 N/A TRP 193.A NE1 ILE 215.A O no hydrogen 2.874 N/A SER 195.A OG SER 191.A O no hydrogen 3.406 N/A GLN 196.A N THR 192.A O no hydrogen 2.454 N/A THR 199.A N ASN 160.A OD1 no hydrogen 2.531 N/A CYS 200.A N LYS 213.A O no hydrogen 2.686 N/A ASN 201.A N THR 158.A O no hydrogen 2.874 N/A ASN 201.A ND2 ASP 212.A OD1 no hydrogen 3.118 N/A VAL 202.A N VAL 211.A O no hydrogen 2.711 N/A ALA 203.A N THR 156.A O no hydrogen 2.807 N/A HIS 204.A N THR 209.A O no hydrogen 2.878 N/A HIS 204.A ND1 SER 207.A OG no hydrogen 3.009 N/A HIS 204.A NE2 PRO 152.A O no hydrogen 2.712 N/A SER 207.A N HIS 204.A O no hydrogen 3.164 N/A SER 207.A OG HIS 204.A ND1 no hydrogen 3.009 N/A SER 207.A OG HIS 204.A O no hydrogen 3.566 N/A SER 208.A N PRO 205.A O no hydrogen 2.681 N/A THR 209.A N HIS 204.A O no hydrogen 3.170 N/A THR 209.A OG1 HIS 204.A O no hydrogen 3.315 N/A THR 209.A OG1 SER 207.A OG no hydrogen 2.706 N/A VAL 211.A N VAL 202.A O no hydrogen 2.711 N/A LYS 213.A N CYS 200.A O no hydrogen 2.719 N/A ILE 215.A N ILE 198.A O no hydrogen 2.940 N/A SER 84A.A N LYS 67.A O no hydrogen 3.295 N/A LEU 86C.A N ALA 16.A O no hydrogen 3.202 N/A