Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1oub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N THR 40.A OG1 no hydrogen 2.740 N/A LYS 1.A N ASP 87.A OD1 no hydrogen 3.016 N/A LYS 1.A NZ GLU 7.A OE2 no hydrogen 3.171 N/A PHE 3.A N TYR 38.A O no hydrogen 2.961 N/A GLU 4.A N GLU 7.A OE1 no hydrogen 3.287 N/A ARG 5.A NH1 GLN 126.A O no hydrogen 3.109 N/A ARG 5.A NH2 TYR 124.A O no hydrogen 3.077 N/A ARG 5.A NH2 GLN 126.A O no hydrogen 2.986 N/A LEU 8.A N GLU 4.A O no hydrogen 2.988 N/A ALA 9.A N ARG 5.A O no hydrogen 3.058 N/A ARG 10.A N CYS 6.A O no hydrogen 2.963 N/A ARG 10.A NH2 CYS 128.A O no hydrogen 3.071 N/A THR 11.A N GLU 7.A O no hydrogen 3.102 N/A THR 11.A OG1 GLU 7.A O no hydrogen 2.954 N/A LEU 12.A N LEU 8.A O no hydrogen 2.812 N/A LYS 13.A N ALA 9.A O no hydrogen 3.117 N/A ARG 14.A N ARG 10.A O no hydrogen 3.142 N/A LEU 15.A N THR 11.A O no hydrogen 3.077 N/A GLY 16.A N LYS 13.A O no hydrogen 2.986 N/A MET 17.A N LEU 12.A O no hydrogen 3.122 N/A GLY 19.A N ILE 23.A O no hydrogen 2.799 N/A TYR 20.A N MET 17.A O no hydrogen 3.128 N/A GLY 22.A N GLY 19.A O no hydrogen 2.963 N/A ILE 23.A N TYR 20.A O no hydrogen 2.897 N/A LEU 25.A N ASP 18.A OD1 no hydrogen 2.997 N/A ASN 27.A N SER 24.A O no hydrogen 3.088 N/A ASN 27.A ND2 SER 24.A OG no hydrogen 2.777 N/A TRP 28.A N SER 24.A O no hydrogen 3.391 N/A MET 29.A N LEU 25.A O no hydrogen 2.965 N/A CYS 30.A N ALA 26.A O no hydrogen 2.928 N/A CYS 30.A SG ARG 115.A O no hydrogen 3.827 N/A LEU 31.A N ASN 27.A O no hydrogen 2.902 N/A ALA 32.A N TRP 28.A O no hydrogen 2.879 N/A LYS 33.A N MET 29.A O no hydrogen 2.893 N/A TRP 34.A N CYS 30.A O no hydrogen 3.098 N/A TRP 34.A NE1 TYR 124.A OH no hydrogen 2.989 N/A GLU 35.A N LEU 31.A O no hydrogen 2.901 N/A SER 36.A N ALA 32.A O no hydrogen 3.138 N/A SER 36.A OG ALA 32.A O no hydrogen 3.295 N/A SER 36.A OG ASN 39.A O no hydrogen 3.506 N/A SER 36.A OG ILE 56.A O no hydrogen 2.721 N/A GLY 37.A N ALA 32.A O no hydrogen 3.206 N/A GLY 37.A N LYS 33.A O no hydrogen 2.956 N/A TYR 38.A N ALA 32.A O no hydrogen 3.426 N/A ASN 39.A N SER 36.A OG no hydrogen 3.298 N/A THR 40.A N LYS 1.A O no hydrogen 2.933 N/A THR 40.A OG1 LYS 1.A O no hydrogen 3.309 N/A THR 40.A OG1 GLN 86.A O no hydrogen 3.351 N/A ARG 41.A N ASN 39.A OD1 no hydrogen 3.021 N/A ASN 44.A N ASP 53.A O no hydrogen 2.973 N/A ASN 46.A N SER 51.A O no hydrogen 2.888 N/A ASN 46.A ND2 SER 51.A O no hydrogen 3.202 N/A ASN 46.A ND2 SER 51.A OG no hydrogen 3.296 N/A ASN 46.A ND2 ASP 53.A OD1 no hydrogen 3.553 N/A ASN 46.A ND2 ASP 53.A OD2 no hydrogen 3.355 N/A ASP 49.A N ASN 46.A O no hydrogen 3.302 N/A ARG 50.A N ASN 46.A O no hydrogen 2.909 N/A SER 51.A N ASP 49.A OD1 no hydrogen 3.309 N/A SER 51.A OG ASP 49.A OD1 no hydrogen 2.879 N/A SER 51.A OG ASP 49.A OD2 no hydrogen 3.505 N/A THR 52.A N SER 61.A OG no hydrogen 2.956 N/A ASP 53.A N ASN 44.A O no hydrogen 2.803 N/A TYR 54.A N ILE 59.A O no hydrogen 2.870 N/A TYR 54.A OH ASP 67.A OD2 no hydrogen 2.679 N/A GLY 55.A N ALA 42.A O no hydrogen 2.837 N/A GLN 58.A N GLY 55.A O no hydrogen 2.914 N/A GLN 58.A NE2 ALA 42.A O no hydrogen 3.086 N/A GLN 58.A NE2 ASP 53.A O no hydrogen 3.426 N/A GLN 58.A NE2 GLY 55.A O no hydrogen 3.106 N/A ILE 59.A N TYR 54.A O no hydrogen 3.045 N/A ASN 60.A ND2 SER 51.A OG no hydrogen 2.911 N/A ASN 60.A ND2 ASP 53.A OD1 no hydrogen 2.836 N/A SER 61.A N THR 52.A O no hydrogen 2.972 N/A SER 61.A OG THR 52.A O no hydrogen 3.272 N/A SER 61.A OG ASP 67.A OD2 no hydrogen 3.535 N/A SER 61.A OG THR 70.A OG1 no hydrogen 2.855 N/A ARG 62.A N ASN 60.A OD1 no hydrogen 2.935 N/A ARG 62.A NE ASP 49.A OD2 no hydrogen 3.193 N/A ARG 62.A NH1 ASP 49.A O no hydrogen 2.887 N/A ARG 62.A NH2 PRO 71.A O no hydrogen 2.512 N/A TRP 64.A N ASN 60.A O no hydrogen 3.129 N/A ASN 66.A N LEU 79.A O no hydrogen 2.881 N/A GLY 68.A N ASN 66.A OD1 no hydrogen 3.069 N/A LYS 69.A NZ ASP 67.A OD2 no hydrogen 3.490 N/A THR 70.A OG1 SER 61.A OG no hydrogen 2.855 N/A THR 70.A OG1 ASP 67.A OD1 no hydrogen 2.743 N/A THR 70.A OG1 ASP 67.A OD2 no hydrogen 3.312 N/A VAL 74.A N ARG 62.A O no hydrogen 2.722 N/A ASN 75.A ND2 LEU 79.A O no hydrogen 3.463 N/A ALA 76.A N TYR 63.A O no hydrogen 2.819 N/A CYS 77.A N TRP 64.A O no hydrogen 2.885 N/A CYS 77.A SG CYS 95.A O no hydrogen 3.561 N/A HIS 78.A N ASN 75.A O no hydrogen 2.956 N/A LEU 79.A N ASN 75.A OD1 no hydrogen 2.981 N/A CYS 81.A N ASN 66.A O no hydrogen 2.924 N/A SER 82.A N SER 80.A OG no hydrogen 3.159 N/A ALA 83.A N SER 80.A O no hydrogen 3.018 N/A LEU 84.A N CYS 81.A O no hydrogen 3.097 N/A LEU 85.A N SER 82.A O no hydrogen 2.912 N/A GLN 86.A NE2 ALA 83.A O no hydrogen 2.923 N/A GLN 86.A NE2 ASP 91.A OD1 no hydrogen 3.040 N/A ALA 90.A N ASN 88.A OD1 no hydrogen 2.854 N/A VAL 93.A N ILE 89.A O no hydrogen 2.871 N/A ALA 94.A N ALA 90.A O no hydrogen 3.008 N/A CYS 95.A N ASP 91.A O no hydrogen 2.975 N/A ALA 96.A N ALA 92.A O no hydrogen 2.928 N/A LYS 97.A N VAL 93.A O no hydrogen 2.903 N/A LYS 97.A NZ LEU 15.A O no hydrogen 2.702 N/A ARG 98.A N ALA 94.A O no hydrogen 3.258 N/A ARG 98.A NH2 ARG 98.A O no hydrogen 2.845 N/A ARG 98.A NH2 ASP 102.A OD2 no hydrogen 3.164 N/A VAL 99.A N CYS 95.A O no hydrogen 3.000 N/A ALA 100.A N ALA 96.A O no hydrogen 3.043 N/A ARG 101.A N LYS 97.A O no hydrogen 3.076 N/A ARG 101.A N ARG 98.A O no hydrogen 3.123 N/A ARG 101.A NE TYR 20.A OH no hydrogen 2.999 N/A ARG 101.A NH1 TYR 20.A OH no hydrogen 2.903 N/A ASP 102.A N VAL 99.A O no hydrogen 3.056 N/A GLY 105.A N ASP 102.A O no hydrogen 2.988 N/A ARG 107.A N GLN 104.A O no hydrogen 3.100 N/A ALA 108.A N GLY 105.A O no hydrogen 3.195 N/A TRP 109.A N ILE 106.A O no hydrogen 3.356 N/A TRP 109.A NE1 PHE 57.A O no hydrogen 2.886 N/A TRP 112.A N TRP 109.A O no hydrogen 2.921 N/A TRP 112.A NE1 ASN 27.A OD1 no hydrogen 2.985 N/A ARG 113.A NH2 ARG 107.A O no hydrogen 2.679 N/A ASN 114.A N VAL 110.A O no hydrogen 3.073 N/A ARG 115.A N ALA 111.A O no hydrogen 2.910 N/A CYS 116.A N TRP 112.A O no hydrogen 2.828 N/A GLN 117.A N TRP 112.A O no hydrogen 2.946 N/A ARG 119.A N CYS 116.A O no hydrogen 3.199 N/A ARG 119.A NH1 ASN 114.A O no hydrogen 2.831 N/A ARG 122.A N ASP 120.A OD1 no hydrogen 3.410 N/A ARG 122.A NH2 ASP 120.A OD1 no hydrogen 3.118 N/A GLN 123.A NE2 ASP 120.A O no hydrogen 3.459 N/A TYR 124.A N VAL 121.A O no hydrogen 3.218 N/A VAL 125.A N ARG 122.A O no hydrogen 3.053 N/A GLN 126.A N ARG 122.A O no hydrogen 3.161 N/A GLN 126.A NE2 ARG 122.A O no hydrogen 2.823 N/A CYS 128.A N VAL 125.A O no hydrogen 3.227 N/A CYS 128.A SG VAL 125.A O no hydrogen 3.556 N/A CYS 128.A SG GLN 126.A O no hydrogen 3.949 N/A