Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N THR 3.A OG1 no hydrogen 3.132 N/A LYS 7.A N THR 3.A O no hydrogen 2.958 N/A PHE 8.A N ALA 4.A O no hydrogen 3.030 N/A GLU 9.A N ALA 5.A O GLU 9.A H.A 3.257 2.365 ARG 10.A N ALA 6.A O ARG 10.A H.A 3.056 2.121 ARG 10.A NE GLU 2.A OE2 no hydrogen 2.919 N/A ARG 10.A NH1 ARG 33.A O no hydrogen 2.831 N/A ARG 10.A NH2 GLU 2.A OE1 no hydrogen 2.900 N/A GLN 11.A N LYS 7.A O GLN 11.A H.A 2.888 1.993 HIS 12.A N PHE 8.A O HIS 12.A H.A 2.880 2.084 HIS 12.A ND1 THR 45.A O no hydrogen 2.791 N/A MET 13.A N GLU 9.A O MET 13.A H.A 3.091 2.219 ASP 14.A N VAL 47.A O ASP 14.A H.A 2.935 1.980 SER 15.A OG GLU 49.A O no hydrogen 2.707 N/A SER 16.A OG ASP 14.A OD1 no hydrogen 2.943 N/A THR 17.A OG1 ASP 14.A OD2 no hydrogen 2.797 N/A THR 17.A OG1 HIS 48.A ND1 no hydrogen 2.933 N/A ALA 20.A N GLN 101.A OE1 no hydrogen 2.967 N/A ASN 24.A N SER 22.A OG no hydrogen 3.418 N/A TYR 25.A N SER 22.A O no hydrogen 3.337 N/A TYR 25.A OH ASP 14.A OD2 no hydrogen 2.785 N/A CYS 26.A N THR 99.A OG1 no hydrogen 3.131 N/A CYS 26.A SG ASP 83.A O no hydrogen 3.763 N/A CYS 26.A SG LYS 98.A O no hydrogen 4.007 N/A CYS 26.A SG THR 99.A OG1 no hydrogen 3.116 N/A ASN 27.A ND2 ASN 24.A OD1 no hydrogen 3.446 N/A GLN 28.A N ASN 24.A O no hydrogen 3.130 N/A MET 29.A N TYR 25.A O MET 29.A H.A 2.922 1.992 MET 30.A N CYS 26.A O MET 30.A H.A 2.879 1.940 SER 32.A N GLN 28.A O no hydrogen 2.910 N/A ARG 33.A N MET 29.A O no hydrogen 3.004 N/A ARG 33.A NH1 ARG 10.A O no hydrogen 2.829 N/A ARG 33.A NH1 MET 13.A O no hydrogen 2.841 N/A ARG 33.A NH2 MET 13.A O no hydrogen 2.847 N/A ASN 34.A N LYS 31.A O no hydrogen 3.093 N/A LEU 35.A N MET 30.A O no hydrogen 2.979 N/A LYS 41.A NZ ASN 44.A OD1 no hydrogen 2.995 N/A ASN 44.A N CYS 84.A O no hydrogen 3.112 N/A ASN 44.A ND2 GLN 11.A O no hydrogen 2.890 N/A THR 45.A OG1 ASP 83.A OD2 no hydrogen 3.316 N/A PHE 46.A N THR 82.A O PHE 46.A H.A 2.957 1.995 VAL 47.A N HIS 12.A O VAL 47.A H.A 2.838 1.930 HIS 48.A N SER 80.A O HIS 48.A H.A 2.854 1.896 HIS 48.A ND1 THR 17.A O no hydrogen 3.017 N/A HIS 48.A NE2 THR 82.A OG1 no hydrogen 2.686 N/A ASP 53.A N SER 50.A OG no hydrogen 3.176 N/A VAL 54.A N SER 50.A O VAL 54.A H.A 3.320 2.436 GLN 55.A N LEU 51.A O GLN 55.A H.A 2.876 1.952 ALA 56.A N ALA 52.A O no hydrogen 3.044 N/A VAL 57.A N VAL 54.A O VAL 57.A H.A 3.099 2.200 CYS 58.A N GLN 55.A O CYS 58.A H.A 3.268 2.331 CYS 58.A SG TYR 115.A O no hydrogen 3.959 N/A SER 59.A N ALA 56.A O no hydrogen 3.033 N/A GLN 60.A N VAL 57.A O no hydrogen 2.997 N/A LYS 61.A N GLN 74.A O no hydrogen 3.366 N/A ASN 62.A ND2 THR 70.A O no hydrogen 3.001 N/A ASN 62.A ND2 CYS 72.A O no hydrogen 3.028 N/A VAL 63.A N CYS 72.A O VAL 63.A H.A 2.895 1.931 CYS 65.A N GLN 69.A O CYS 65.A H.A 2.821 1.896 LYS 66.A N ASP 121.A OD2 no hydrogen 3.154 N/A ASN 67.A ND2 GLN 69.A OE1 no hydrogen 2.992 N/A GLY 68.A N CYS 65.A O no hydrogen 3.009 N/A GLN 69.A N ASN 67.A OD1 no hydrogen 3.149 N/A GLN 69.A NE2 ASN 71.A OD1 no hydrogen 2.961 N/A ASN 71.A ND2 CYS 110.A O no hydrogen 3.021 N/A CYS 72.A SG ASN 71.A OD1 no hydrogen 3.993 N/A TYR 73.A N VAL 108.A O TYR 73.A H.A 2.841 1.918 TYR 73.A OH TYR 115.A OH no hydrogen 3.383 N/A GLN 74.A N LYS 61.A O GLN 74.A H.A 2.789 1.862 SER 75.A N ILE 106.A O SER 75.A H.A 2.952 2.020 SER 75.A OG SER 77.A O no hydrogen 2.858 N/A TYR 76.A N GLN 60.A OE1 no hydrogen 2.902 N/A MET 79.A N LYS 104.A O MET 79.A H.A 2.816 1.901 SER 80.A N GLU 49.A OE2 no hydrogen 3.063 N/A SER 80.A OG SER 18.A O no hydrogen 2.787 N/A ILE 81.A N ALA 102.A O ILE 81.A H.A 2.908 1.937 THR 82.A N PHE 46.A O THR 82.A H.A 2.895 2.000 THR 82.A OG1 HIS 48.A NE2 no hydrogen 2.686 N/A THR 82.A OG1 GLN 101.A OE1 no hydrogen 2.727 N/A ASP 83.A N THR 100.A O no hydrogen 2.769 N/A CYS 84.A N ASN 44.A O CYS 84.A H.A 2.901 1.957 ARG 85.A N LYS 98.A O no hydrogen 3.210 N/A GLU 86.A N PRO 42.A O no hydrogen 2.992 N/A THR 87.A N ALA 96.A O no hydrogen 3.049 N/A SER 90.A N THR 87.A O no hydrogen 3.307 N/A SER 90.A OG GLU 86.A OE2 no hydrogen 2.841 N/A LYS 91.A N ASN 94.A O no hydrogen 3.276 N/A TYR 92.A OH LYS 37.A O no hydrogen 2.681 N/A ASN 94.A N LYS 91.A O no hydrogen 2.854 N/A ALA 96.A N SER 90.A OG no hydrogen 3.053 N/A TYR 97.A N ASN 27.A OD1 no hydrogen 2.760 N/A TYR 97.A OH LYS 41.A O no hydrogen 2.740 N/A LYS 98.A N ARG 85.A O LYS 98.A H.A 2.800 1.885 THR 99.A OG1 SER 23.A O no hydrogen 3.279 N/A THR 100.A N ASP 83.A O THR 100.A H.A 2.939 2.019 GLN 101.A NE2 SER 80.A OG no hydrogen 2.944 N/A ALA 102.A N ILE 81.A O ALA 102.A H.A 3.063 2.095 LYS 104.A N MET 79.A O LYS 104.A H.A 3.045 2.181 HIS 105.A N VAL 124.A OXT no hydrogen 2.910 N/A HIS 105.A ND1 SER 75.A O no hydrogen 2.984 N/A ILE 106.A N SER 75.A OG ILE 106.A H.A 2.994 2.047 ILE 107.A N ALA 122.A O ILE 107.A H.A 2.812 1.996 VAL 108.A N TYR 73.A O VAL 108.A H.A 2.971 2.045 ALA 109.A N HIS 119.A O ALA 109.A H.A 2.951 2.007 CYS 110.A N ASN 71.A O CYS 110.A H.A 2.972 2.027 GLU 111.A N VAL 116.A O GLU 111.A H.A 3.041 2.097 TYR 115.A OH TYR 73.A OH no hydrogen 3.383 N/A VAL 116.A N GLU 111.A O VAL 116.A H.A 3.166 2.196 VAL 118.A N ALA 109.A O VAL 118.A H.A 2.918 1.964 HIS 119.A NE2 ASP 121.A OD1 no hydrogen 3.127 N/A ASP 121.A N ILE 107.A O no hydrogen 2.865 N/A ALA 122.A N ILE 107.A O no hydrogen 3.328 N/A VAL 124.A N HIS 105.A O no hydrogen 2.962 N/A