Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kwc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LEU 31.A O no hydrogen 2.919 N/A TYR 3.A OH GLN 1.A OE1 no hydrogen 3.360 N/A ALA 5.A N ALA 15.A O no hydrogen 2.819 N/A THR 8.A N SER 11.A O no hydrogen 2.860 N/A TRP 10.A NE1 ASP 52.A O no hydrogen 3.190 N/A SER 11.A N THR 8.A O no hydrogen 3.275 N/A SER 11.A OG ASP 13.A OD1 no hydrogen 3.460 N/A GLU 18.A N VAL 35.A O no hydrogen 3.016 N/A ALA 20.A N ILE 37.A O no hydrogen 3.051 N/A THR 22.A OG1 ASP 39.A OD1 no hydrogen 2.571 N/A ALA 23.A N ALA 20.A O no hydrogen 2.926 N/A TYR 24.A N VAL 41.A O no hydrogen 2.903 N/A TYR 24.A OH GLU 193.A OE2 no hydrogen 3.049 N/A HIS 26.A N ILE 43.A O no hydrogen 2.931 N/A HIS 26.A NE2 HIS 42.A NE2 no hydrogen 3.037 N/A SER 29.A N SER 27.A O no hydrogen 2.960 N/A SER 29.A OG HIS 26.A O no hydrogen 2.723 N/A ASN 30.A N THR 47.A O no hydrogen 2.915 N/A LEU 31.A N GLN 1.A O no hydrogen 3.220 N/A ILE 32.A N ILE 49.A O no hydrogen 2.972 N/A GLY 33.A N TYR 3.A O no hydrogen 2.976 N/A VAL 35.A N GLY 33.A O no hydrogen 2.892 N/A ARG 36.A N PHE 57.A O no hydrogen 3.048 N/A ARG 36.A NE ASP 34.A OD2 no hydrogen 3.021 N/A ARG 36.A NH1 GLN 85.A OE1.B no hydrogen 3.198 N/A ARG 36.A NH2 ASP 34.A OD1 no hydrogen 2.913 N/A ILE 37.A N GLU 18.A O no hydrogen 2.960 N/A LYS 38.A N ILE 59.A O no hydrogen 3.099 N/A TYR 40.A N THR 22.A OG1 no hydrogen 3.033 N/A HIS 42.A N THR 63.A O no hydrogen 3.201 N/A HIS 42.A ND1 ASN 182.A OD1 no hydrogen 3.099 N/A HIS 42.A NE2 HIS 26.A NE2 no hydrogen 3.037 N/A ILE 43.A N TYR 24.A O no hydrogen 2.992 N/A ALA 44.A N ILE 65.A O no hydrogen 2.857 N/A GLY 46.A N PHE 28.A O no hydrogen 2.647 N/A THR 47.A OG1 ALA 44.A O no hydrogen 3.231 N/A SER 48.A N VAL 69.A O no hydrogen 2.889 N/A ILE 49.A N ASN 30.A O no hydrogen 3.053 N/A ARG 50.A N ILE 71.A O no hydrogen 3.029 N/A ARG 50.A NH1 ASP 52.A OD1 no hydrogen 2.921 N/A ALA 51.A N ILE 32.A O no hydrogen 2.863 N/A GLY 54.A N GLY 73.A O no hydrogen 3.074 N/A PHE 57.A N ASP 34.A O no hydrogen 3.067 N/A HIS 58.A N VAL 89.A O no hydrogen 2.949 N/A ILE 59.A N ARG 36.A O no hydrogen 3.001 N/A SER 61.A N ASP 93.A OD2 no hydrogen 2.970 N/A ARG 62.A N ASP 39.A O no hydrogen 2.969 N/A THR 63.A OG1 GLY 60.A O no hydrogen 3.402 N/A THR 63.A OG1 GLY 92.A O no hydrogen 2.872 N/A ASN 64.A N VAL 95.A O no hydrogen 2.959 N/A ASN 64.A ND2 SER 96.A OG no hydrogen 2.929 N/A ILE 65.A N HIS 42.A O no hydrogen 2.820 N/A GLN 66.A N ILE 97.A O no hydrogen 2.898 N/A GLN 66.A NE2 ASN 64.A OD1 no hydrogen 2.831 N/A GLY 68.A N PRO 45.A O no hydrogen 3.307 N/A VAL 70.A N ALA 101.A O no hydrogen 3.251 N/A ILE 71.A N SER 48.A O no hydrogen 2.964 N/A HIS 72.A N ILE 103.A O no hydrogen 3.357 N/A HIS 72.A NE2 ASP 52.A OD2 no hydrogen 2.990 N/A LEU 74.A N GLY 105.A O no hydrogen 3.178 N/A GLN 75.A N GLU 53.A OE2 no hydrogen 3.217 N/A ARG 78.A NH1 LEU 74.A O no hydrogen 3.457 N/A ARG 78.A NH1 GLN 75.A O no hydrogen 3.206 N/A ARG 78.A NH1 GLY 77.A O no hydrogen 2.814 N/A ARG 78.A NH2 GLN 75.A O no hydrogen 3.297 N/A VAL 79.A N TYR 87.A O no hydrogen 2.829 N/A GLY 81.A N GLN 85.A O no hydrogen 2.761 N/A GLY 84.A N GLY 81.A O no hydrogen 3.179 N/A GLN 85.A N ASP 83.A OD1 no hydrogen 2.986 N/A TYR 87.A N VAL 79.A O no hydrogen 2.884 N/A TYR 87.A OH ASP 83.A OD2 no hydrogen 2.534 N/A SER 88.A N PRO 56.A O no hydrogen 3.000 N/A TRP 90.A N ALA 107.A O no hydrogen 2.965 N/A ILE 91.A N HIS 58.A O no hydrogen 2.849 N/A GLY 92.A N ILE 109.A O no hydrogen 2.979 N/A ASP 93.A N ASP 111.A OD2 no hydrogen 2.824 N/A ASN 94.A N SER 61.A O no hydrogen 2.960 N/A VAL 95.A N THR 63.A OG1 no hydrogen 3.128 N/A SER 96.A N CYS 113.A O no hydrogen 3.062 N/A ILE 97.A N ASN 64.A O no hydrogen 2.968 N/A THR 98.A N ILE 115.A O no hydrogen 3.116 N/A THR 98.A OG1 ILE 115.A O no hydrogen 2.642 N/A HIS 99.A ND1 ASP 67.A OD1 no hydrogen 2.981 N/A MET 100.A N ASP 67.A O no hydrogen 2.887 N/A ALA 101.A N THR 98.A O no hydrogen 3.018 N/A LEU 102.A N SER 119.A O no hydrogen 2.927 N/A ILE 103.A N VAL 70.A O no hydrogen 3.197 N/A HIS 104.A N VAL 121.A O no hydrogen 2.779 N/A HIS 104.A ND1 GLY 105.A O no hydrogen 2.874 N/A GLY 105.A N HIS 72.A O no hydrogen 2.878 N/A ALA 107.A N SER 88.A O no hydrogen 3.020 N/A TYR 108.A N ALA 124.A O no hydrogen 3.269 N/A TYR 108.A OH ASP 82.A OD2 no hydrogen 2.795 N/A ILE 109.A N TRP 90.A O no hydrogen 2.879 N/A GLY 110.A N VAL 126.A O no hydrogen 2.946 N/A GLY 112.A N ASP 93.A O no hydrogen 2.936 N/A CYS 113.A N GLY 110.A O no hydrogen 3.426 N/A CYS 113.A SG GLY 110.A O no hydrogen 3.334 N/A CYS 113.A SG GLY 127.A O no hydrogen 3.185 N/A CYS 113.A SG CYS 130.A O no hydrogen 3.876 N/A PHE 114.A N CYS 130.A O no hydrogen 3.017 N/A ILE 115.A N SER 96.A O no hydrogen 2.924 N/A ARG 118.A N HIS 99.A O no hydrogen 2.924 N/A ARG 118.A NE HIS 135.A NE2 no hydrogen 3.299 N/A SER 119.A N GLY 116.A O no hydrogen 3.274 N/A SER 119.A OG GLY 116.A O no hydrogen 3.419 N/A SER 119.A OG PHE 117.A O no hydrogen 3.526 N/A SER 119.A OG MET 133.A O no hydrogen 2.824 N/A THR 120.A N VAL 136.A O no hydrogen 2.789 N/A VAL 121.A N LEU 102.A O no hydrogen 2.934 N/A PHE 122.A N ILE 138.A O no hydrogen 2.964 N/A ASN 123.A N HIS 104.A O no hydrogen 3.411 N/A ASN 123.A ND2 ASP 140.A OD2 no hydrogen 2.939 N/A ALA 124.A N PRO 106.A O no hydrogen 3.226 N/A ARG 125.A N VAL 141.A O no hydrogen 3.132 N/A VAL 126.A N TYR 108.A O no hydrogen 2.870 N/A GLY 127.A N ILE 143.A O no hydrogen 3.001 N/A GLY 129.A N ASP 111.A O no hydrogen 2.909 N/A CYS 130.A SG GLY 127.A O no hydrogen 3.355 N/A CYS 130.A SG PRO 144.A O no hydrogen 3.103 N/A VAL 131.A N LYS 147.A O no hydrogen 2.984 N/A VAL 132.A N PHE 114.A O no hydrogen 2.825 N/A MET 133.A N VAL 149.A O no hydrogen 3.052 N/A MET 134.A N SER 151.A OG no hydrogen 2.832 N/A HIS 135.A N PHE 117.A O no hydrogen 2.832 N/A VAL 136.A N SER 119.A OG no hydrogen 2.928 N/A LEU 137.A N MET 153.A O no hydrogen 3.032 N/A ILE 138.A N THR 120.A O no hydrogen 2.798 N/A GLN 139.A N ILE 155.A O no hydrogen 3.086 N/A GLN 139.A NE2.B ASP 140.A OD1 no hydrogen 3.529 N/A ASP 140.A N PHE 122.A O no hydrogen 3.317 N/A GLU 142.A N GLN 158.A OE1 no hydrogen 2.895 N/A ILE 143.A N ARG 125.A O no hydrogen 2.902 N/A GLY 146.A N ALA 128.A O no hydrogen 2.881 N/A LYS 147.A NZ LEU 164.A O no hydrogen 3.073 N/A LYS 147.A NZ ASN 166.A OD1 no hydrogen 2.780 N/A TYR 148.A N PRO 165.A O no hydrogen 2.902 N/A VAL 149.A N VAL 131.A O no hydrogen 3.114 N/A GLY 152.A N MET 134.A O no hydrogen 2.870 N/A ILE 155.A N LEU 137.A O no hydrogen 2.853 N/A THR 156.A N GLN 160.A OE1 no hydrogen 3.198 N/A THR 157.A OG1 GLN 160.A OE1 no hydrogen 3.226 N/A GLN 158.A NE2 GLU 142.A O no hydrogen 3.064 N/A GLN 158.A NE2 ASP 162.A OD1 no hydrogen 2.662 N/A GLN 159.A N GLN 159.A OE1 no hydrogen 2.920 N/A GLN 160.A NE2 VAL 154.A O no hydrogen 3.190 N/A ALA 161.A N THR 157.A O no hydrogen 3.389 N/A ASP 162.A N GLN 158.A O no hydrogen 2.853 N/A ARG 163.A N GLN 160.A O no hydrogen 3.162 N/A VAL 167.A N GLY 146.A O no hydrogen 3.071 N/A GLU 168.A N ASP 171.A OD2 no hydrogen 2.920 N/A ASP 171.A N GLU 168.A O no hydrogen 2.967 N/A ILE 172.A N GLU 168.A O no hydrogen 3.229 N/A HIS 173.A N GLU 169.A O no hydrogen 3.132 N/A PHE 174.A N SER 170.A O no hydrogen 3.181 N/A ALA 175.A N ASP 171.A O no hydrogen 3.022 N/A GLN 176.A N ILE 172.A O no hydrogen 3.034 N/A HIS 177.A N HIS 173.A O no hydrogen 3.166 N/A VAL 178.A N PHE 174.A O no hydrogen 3.327 N/A VAL 179.A N ALA 175.A O no hydrogen 3.340 N/A GLY 180.A N GLN 176.A O no hydrogen 3.069 N/A ILE 181.A N HIS 177.A O no hydrogen 2.866 N/A ASN 182.A N VAL 178.A O no hydrogen 3.217 N/A ASN 182.A ND2 VAL 178.A O no hydrogen 2.892 N/A GLU 183.A N VAL 179.A O no hydrogen 3.190 N/A ALA 184.A N GLY 180.A O no hydrogen 3.199 N/A LEU 185.A N ILE 181.A O no hydrogen 3.103 N/A LEU 186.A N ASN 182.A O no hydrogen 3.041 N/A SER 187.A OG GLU 183.A O no hydrogen 2.935 N/A SER 187.A OG ALA 184.A O no hydrogen 3.206 N/A GLY 188.A N ALA 184.A O no hydrogen 3.228 N/A TYR 189.A N LEU 185.A O no hydrogen 2.987 N/A GLN 190.A N LEU 186.A O no hydrogen 3.084 N/A GLN 190.A NE2 PRO 21.A O no hydrogen 3.320 N/A CYS 191.A N SER 187.A O no hydrogen 3.245 N/A ALA 192.A N GLY 188.A O no hydrogen 3.170 N/A GLU 193.A N GLN 190.A O no hydrogen 3.152 N/A ASN 194.A N CYS 191.A O no hydrogen 3.083 N/A ALA 196.A N ASN 194.A OD1 no hydrogen 3.200 N/A CYS 197.A N ASN 194.A O no hydrogen 3.116 N/A ILE 198.A N ASN 194.A O no hydrogen 3.104 N/A ALA 199.A N ILE 195.A O no hydrogen 3.099 N/A ARG 202.A N ILE 198.A O no hydrogen 3.083 N/A ASN 203.A N ALA 199.A O no hydrogen 2.968 N/A GLU 204.A N ILE 201.A O no hydrogen 3.116 N/A LEU 205.A N ARG 202.A O no hydrogen 3.269 N/A