Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r2r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 64.A O no hydrogen 3.558 N/A MET 1.A N GLU 66.A OE2.A no hydrogen 2.550 N/A MET 1.A N GLU 66.A OE2.B no hydrogen 2.720 N/A GLN 2.A NE2 GLY 3.A O no hydrogen 2.783 N/A GLY 3.A N LEU 65.A O no hydrogen 2.984 N/A GLU 6.A N HIS 4.A ND1.B no hydrogen 2.987 N/A ILE 8.A N HIS 4.A O no hydrogen 2.915 N/A ASP 9.A N PRO 5.A O no hydrogen 2.890 N/A TYR 10.A N GLU 6.A O no hydrogen 3.000 N/A TYR 10.A OH ALA 99.A O no hydrogen 2.713 N/A LEU 11.A N VAL 7.A O no hydrogen 2.784 N/A ASN 12.A N ILE 8.A O no hydrogen 2.985 N/A ASN 12.A ND2 THR 68.A O no hydrogen 3.003 N/A THR 13.A N ASP 9.A O no hydrogen 3.030 N/A THR 13.A OG1 ASP 9.A O no hydrogen 3.302 N/A LEU 14.A N TYR 10.A O no hydrogen 2.939 N/A LEU 15.A N LEU 11.A O no hydrogen 2.828 N/A THR 16.A N ASN 12.A O no hydrogen 3.035 N/A THR 16.A OG1 THR 13.A O no hydrogen 3.149 N/A THR 16.A OG1 ASP 74.A OD1 no hydrogen 2.754 N/A GLY 17.A N THR 13.A O no hydrogen 3.285 N/A GLU 18.A N LEU 14.A O no hydrogen 2.866 N/A LEU 19.A N LEU 15.A O no hydrogen 2.949 N/A ALA 20.A N THR 16.A O no hydrogen 3.121 N/A ALA 21.A N GLY 17.A O no hydrogen 2.984 N/A ARG 22.A N GLU 18.A O no hydrogen 2.939 N/A ARG 22.A NE LEU 19.A O no hydrogen 3.326 N/A ARG 22.A NH2 ASP 23.A OD2 no hydrogen 3.248 N/A ASP 23.A N LEU 19.A O no hydrogen 3.056 N/A GLN 24.A N ALA 20.A O no hydrogen 2.807 N/A GLN 24.A NE2 ALA 88.A O no hydrogen 3.296 N/A GLN 24.A NE2 ASP 89.A OD1 no hydrogen 2.768 N/A TYR 25.A N ALA 21.A O no hydrogen 2.983 N/A TYR 25.A OH GLU 93.A OE2 no hydrogen 2.626 N/A PHE 26.A N ARG 22.A O no hydrogen 2.912 N/A ILE 27.A N ASP 23.A O no hydrogen 3.077 N/A HIS 28.A N GLN 24.A O no hydrogen 2.901 N/A HIS 28.A ND1 ASP 89.A OD2 no hydrogen 2.975 N/A SER 29.A N TYR 25.A O no hydrogen 2.859 N/A SER 29.A OG TYR 25.A O no hydrogen 2.755 N/A SER 29.A OG PHE 26.A O no hydrogen 3.008 N/A ARG 30.A N PHE 26.A O no hydrogen 3.223 N/A ARG 30.A NH1 SER 29.A OG no hydrogen 2.909 N/A ARG 30.A NH1 ASN 45.A OD1 no hydrogen 2.887 N/A ARG 30.A NH2 ASN 45.A OD1 no hydrogen 3.458 N/A MET 31.A N ILE 27.A O no hydrogen 2.917 N/A TYR 32.A N HIS 28.A O no hydrogen 2.932 N/A GLU 33.A N SER 29.A O no hydrogen 3.006 N/A ASP 34.A N ARG 30.A O no hydrogen 2.920 N/A TRP 35.A N MET 31.A O no hydrogen 3.095 N/A TRP 35.A N TYR 32.A O no hydrogen 3.145 N/A GLY 36.A N GLU 33.A O no hydrogen 2.989 N/A PHE 37.A N TYR 32.A O no hydrogen 2.989 N/A SER 38.A N ILE 154.A OXT no hydrogen 3.054 N/A SER 38.A OG.A ILE 154.A O no hydrogen 3.485 N/A SER 38.A OG.A ILE 154.A OXT no hydrogen 2.573 N/A SER 38.A OG.B ILE 154.A OXT no hydrogen 3.106 N/A LYS 39.A N GLN 153.A O no hydrogen 3.053 N/A TYR 41.A N PHE 37.A O no hydrogen 3.010 N/A GLU 42.A N SER 38.A O no hydrogen 2.894 N/A ARG 43.A N LYS 39.A O no hydrogen 3.138 N/A ARG 43.A NH2 ASP 129.A OD1 no hydrogen 2.781 N/A LEU 44.A N LEU 40.A O no hydrogen 2.909 N/A ASN 45.A N TYR 41.A O no hydrogen 2.808 N/A HIS 46.A N GLU 42.A O no hydrogen 3.044 N/A GLU 47.A N ARG 43.A O no hydrogen 2.957 N/A MET 48.A N LEU 44.A O no hydrogen 2.847 N/A GLU 49.A N ASN 45.A O no hydrogen 3.162 N/A GLU 50.A N HIS 46.A O no hydrogen 2.992 N/A GLU 51.A N GLU 47.A O no hydrogen 2.810 N/A THR 52.A N MET 48.A O no hydrogen 2.999 N/A THR 52.A OG1 MET 48.A O no hydrogen 2.870 N/A GLN 53.A N GLU 49.A O no hydrogen 3.059 N/A HIS 54.A N GLU 50.A O no hydrogen 2.933 N/A HIS 54.A NE2 ASP 125.A OD2 no hydrogen 2.835 N/A ALA 55.A N GLU 51.A O no hydrogen 2.837 N/A ASP 56.A N THR 52.A O no hydrogen 2.902 N/A ALA 57.A N GLN 53.A O no hydrogen 2.955 N/A LEU 58.A N HIS 54.A O no hydrogen 3.228 N/A LEU 59.A N ALA 55.A O no hydrogen 2.814 N/A ARG 60.A N ASP 56.A O no hydrogen 2.847 N/A ARG 60.A NE ASP 56.A OD1 no hydrogen 2.901 N/A ARG 60.A NE ASP 56.A OD2 no hydrogen 3.376 N/A ARG 60.A NH2 ASP 56.A OD2 no hydrogen 3.159 N/A ARG 61.A N ALA 57.A O no hydrogen 3.080 N/A ARG 61.A NE SER 115.A OG no hydrogen 2.826 N/A ARG 61.A NH2 ASP 112.A OD1 no hydrogen 2.892 N/A ARG 61.A NH2 SER 115.A OG no hydrogen 3.314 N/A ILE 62.A N LEU 58.A O no hydrogen 2.872 N/A LEU 63.A N LEU 59.A O no hydrogen 3.029 N/A LEU 64.A N ARG 60.A O no hydrogen 2.916 N/A LEU 65.A N ARG 61.A O no hydrogen 3.015 N/A GLU 66.A N LEU 63.A O no hydrogen 2.907 N/A GLY 67.A N ILE 62.A O no hydrogen 2.938 N/A ARG 70.A N ASN 12.A OD1 no hydrogen 2.756 N/A ARG 70.A NH1 ASP 9.A OD1 no hydrogen 3.032 N/A ASP 74.A N THR 16.A O no hydrogen 3.036 N/A HIS 77.A N GLN 24.A OE1 no hydrogen 3.205 N/A GLY 79.A N HIS 28.A NE2 no hydrogen 3.064 N/A THR 80.A N GLU 84.A OE1 no hydrogen 2.871 N/A THR 80.A OG1 GLU 84.A OE1 no hydrogen 2.746 N/A GLU 84.A N THR 81.A OG1 no hydrogen 3.200 N/A MET 85.A N THR 81.A O no hydrogen 2.896 N/A LEU 86.A N VAL 82.A O no hydrogen 2.967 N/A GLU 87.A N PRO 83.A O no hydrogen 2.998 N/A ALA 88.A N GLU 84.A O no hydrogen 2.819 N/A ASP 89.A N MET 85.A O no hydrogen 2.910 N/A LEU 90.A N LEU 86.A O no hydrogen 2.962 N/A LYS 91.A N GLU 87.A O no hydrogen 2.953 N/A LEU 92.A N ALA 88.A O no hydrogen 3.039 N/A GLU 93.A N ASP 89.A O no hydrogen 2.860 N/A ARG 94.A N LEU 90.A O no hydrogen 2.861 N/A ARG 94.A NH2 GLU 135.A OE2 no hydrogen 3.067 N/A HIS 95.A N LYS 91.A O no hydrogen 3.035 N/A VAL 96.A N LEU 92.A O no hydrogen 2.933 N/A ARG 97.A N GLU 93.A O no hydrogen 2.869 N/A ARG 97.A NH1 GLU 127.A OE2 no hydrogen 2.743 N/A ALA 98.A N ARG 94.A O no hydrogen 3.056 N/A ALA 99.A N HIS 95.A O no hydrogen 2.942 N/A LEU 100.A N VAL 96.A O no hydrogen 2.762 N/A ALA 101.A N ARG 97.A O no hydrogen 3.034 N/A LYS 102.A N ALA 98.A O no hydrogen 3.068 N/A GLY 103.A N ALA 99.A O no hydrogen 3.031 N/A ILE 104.A N LEU 100.A O no hydrogen 2.870 N/A ALA 105.A N ALA 101.A O no hydrogen 3.212 N/A LEU 106.A N LYS 102.A O no hydrogen 3.004 N/A CYS 107.A N GLY 103.A O no hydrogen 2.845 N/A CYS 107.A SG GLY 103.A O no hydrogen 3.280 N/A GLU 108.A N ILE 104.A O no hydrogen 3.075 N/A GLN 109.A N ALA 105.A O no hydrogen 3.045 N/A HIS 110.A N LEU 106.A O no hydrogen 3.060 N/A HIS 110.A NE2 GLU 6.A OE1 no hydrogen 2.853 N/A LYS 111.A N GLU 108.A O no hydrogen 3.060 N/A ASP 112.A N CYS 107.A O no hydrogen 2.905 N/A SER 115.A N ASP 112.A OD1 no hydrogen 3.110 N/A SER 115.A OG ASP 112.A OD1 no hydrogen 3.205 N/A SER 115.A OG ASP 112.A OD2 no hydrogen 2.669 N/A ARG 116.A N ASP 112.A O no hydrogen 3.115 N/A ARG 116.A NH1 ILE 104.A O no hydrogen 3.053 N/A ASP 117.A N PHE 113.A O no hydrogen 2.994 N/A ILE 118.A N VAL 114.A O no hydrogen 3.040 N/A LEU 119.A N SER 115.A O no hydrogen 3.052 N/A LYS 120.A N ARG 116.A O no hydrogen 2.901 N/A ALA 121.A N ASP 117.A O no hydrogen 3.075 N/A GLN 122.A N ILE 118.A O no hydrogen 3.271 N/A GLN 122.A NE2 HIS 54.A O no hydrogen 3.040 N/A LEU 123.A N LEU 119.A O no hydrogen 2.861 N/A ALA 124.A N LYS 120.A O no hydrogen 3.045 N/A ASP 125.A N ALA 121.A O no hydrogen 3.202 N/A THR 126.A N GLN 122.A O no hydrogen 2.808 N/A THR 126.A OG1 GLN 122.A O no hydrogen 2.818 N/A GLU 127.A N LEU 123.A O no hydrogen 2.867 N/A GLU 128.A N ALA 124.A O no hydrogen 2.827 N/A ASP 129.A N ASP 125.A O no hydrogen 3.078 N/A HIS 130.A N ASP 125.A O no hydrogen 2.966 N/A HIS 130.A NE2 GLU 50.A OE2 no hydrogen 2.956 N/A ALA 131.A N THR 126.A O no hydrogen 2.841 N/A TRP 133.A N ASP 129.A O no hydrogen 2.992 N/A LEU 134.A N HIS 130.A O no hydrogen 3.371 N/A GLU 135.A N ALA 131.A O no hydrogen 2.944 N/A GLN 136.A N TYR 132.A O no hydrogen 2.923 N/A GLN 137.A N TRP 133.A O no hydrogen 2.997 N/A GLN 137.A NE2 TRP 133.A O no hydrogen 3.016 N/A LEU 138.A N LEU 134.A O no hydrogen 3.113 N/A GLY 139.A N GLU 135.A O no hydrogen 2.945 N/A LEU 140.A N GLN 136.A O no hydrogen 2.864 N/A ILE 141.A N GLN 137.A O no hydrogen 2.975 N/A ALA 142.A N LEU 138.A O no hydrogen 3.021 N/A ARG 143.A N GLY 139.A O no hydrogen 3.069 N/A ARG 143.A N LEU 140.A O no hydrogen 3.113 N/A ARG 143.A NH1 GLY 139.A O no hydrogen 3.375 N/A MET 144.A N LEU 140.A O no hydrogen 2.945 N/A GLY 145.A N ILE 141.A O no hydrogen 2.842 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.799 N/A ASN 148.A ND2 MET 144.A O no hydrogen 3.352 N/A TYR 149.A N GLY 145.A O no hydrogen 3.083 N/A TYR 149.A OH GLN 137.A OE1 no hydrogen 2.720 N/A LEU 150.A N LEU 146.A O no hydrogen 2.860 N/A GLN 151.A N GLU 147.A O no hydrogen 3.117 N/A SER 152.A N ASN 148.A O no hydrogen 3.187 N/A SER 152.A OG TYR 149.A O no hydrogen 2.657 N/A GLN 153.A N LEU 150.A O no hydrogen 2.995 N/A GLN 153.A NE2 SER 152.A OG no hydrogen 3.029 N/A ILE 154.A N GLN 151.A O no hydrogen 3.385 N/A