Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2grr_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N ASP 3.A OD1 no hydrogen 2.724 N/A THR 6.A OG1 ASP 3.A OD1 no hydrogen 3.298 N/A THR 6.A OG1 ASP 3.A OD2 no hydrogen 2.543 N/A PHE 7.A N ASP 3.A O no hydrogen 3.092 N/A LEU 8.A N VAL 4.A O no hydrogen 2.897 N/A ALA 9.A N SER 5.A O no hydrogen 2.908 N/A PHE 10.A N THR 6.A O no hydrogen 3.061 N/A LYS 15.A N SER 12.A OG no hydrogen 2.962 N/A LEU 16.A N SER 12.A O no hydrogen 3.098 N/A LEU 17.A N PRO 13.A O no hydrogen 3.068 N/A ARG 18.A N GLU 14.A O no hydrogen 2.843 N/A ARG 18.A NH2 PRO 1.A O no hydrogen 2.880 N/A LEU 19.A N LEU 16.A O no hydrogen 3.103 N/A GLY 20.A N LEU 17.A O no hydrogen 3.118 N/A SER 23.A N GLY 20.A O no hydrogen 3.051 N/A SER 23.A OG GLY 20.A O no hydrogen 3.406 N/A LEU 26.A N LYS 22.A O no hydrogen 3.079 N/A ILE 27.A N SER 23.A O no hydrogen 2.979 N/A ALA 28.A N SER 24.A O no hydrogen 3.376 N/A GLN 29.A N VAL 25.A O no hydrogen 2.801 N/A GLN 29.A NE2 GLN 30.A OE1 no hydrogen 2.826 N/A GLN 30.A N LEU 26.A O no hydrogen 2.908 N/A THR 31.A N ALA 28.A O no hydrogen 3.268 N/A THR 31.A OG1 ILE 27.A O no hydrogen 2.738 N/A SER 34.A N ASP 32.A OD1 no hydrogen 3.067 N/A SER 34.A OG ASP 32.A OD1 no hydrogen 2.700 N/A SER 34.A OG ASP 32.A OD2 no hydrogen 3.442 N/A ASP 35.A N ASP 32.A O no hydrogen 3.217 N/A GLU 37.A N ASP 35.A OD1 no hydrogen 2.900 N/A LYS 38.A N ASP 35.A OD1 no hydrogen 3.455 N/A VAL 39.A N ASP 35.A O no hydrogen 3.068 N/A VAL 40.A N PRO 36.A O no hydrogen 2.897 N/A SER 41.A N GLU 37.A O no hydrogen 2.981 N/A ALA 42.A N LYS 38.A O no hydrogen 2.971 N/A PHE 43.A N VAL 39.A O no hydrogen 2.848 N/A LEU 44.A N VAL 40.A O no hydrogen 2.912 N/A LYS 45.A N SER 41.A O no hydrogen 2.961 N/A LYS 45.A NZ LEU 8.A O no hydrogen 2.869 N/A VAL 46.A N ALA 42.A O no hydrogen 2.922 N/A SER 47.A N PHE 43.A O no hydrogen 2.905 N/A SER 47.A OG PHE 43.A O no hydrogen 2.982 N/A SER 47.A OG LEU 44.A O no hydrogen 3.100 N/A SER 48.A N LEU 44.A O no hydrogen 2.903 N/A SER 48.A OG LYS 45.A O no hydrogen 2.620 N/A VAL 49.A N VAL 46.A O no hydrogen 3.271 N/A PHE 50.A N SER 47.A O no hydrogen 3.027 N/A GLU 53.A N LYS 51.A O no hydrogen 2.797 N/A THR 55.A N GLU 53.A OE2 no hydrogen 2.886 N/A THR 55.A OG1 GLU 53.A OE1 no hydrogen 2.634 N/A THR 55.A OG1 GLU 53.A OE2 no hydrogen 3.096 N/A VAL 56.A N GLU 53.A OE1 no hydrogen 2.840 N/A ARG 57.A N GLU 53.A O no hydrogen 2.797 N/A MET 58.A N ALA 54.A O no hydrogen 3.041 N/A ALA 59.A N THR 55.A O no hydrogen 3.075 N/A VAL 60.A N VAL 56.A O no hydrogen 2.871 N/A GLN 61.A N ARG 57.A O no hydrogen 2.917 N/A ASP 62.A N MET 58.A O no hydrogen 2.851 N/A ALA 63.A N ALA 59.A O no hydrogen 3.072 N/A VAL 64.A N VAL 60.A O no hydrogen 2.895 N/A ASP 65.A N GLN 61.A O no hydrogen 2.938 N/A ALA 66.A N ASP 62.A O no hydrogen 2.955 N/A LEU 67.A N ALA 63.A O no hydrogen 2.956 N/A MET 68.A N VAL 64.A O no hydrogen 2.862 N/A GLN 69.A N ASP 65.A O no hydrogen 2.870 N/A LYS 70.A N ALA 66.A O no hydrogen 3.128 N/A LYS 70.A NZ ALA 28.A O no hydrogen 2.887 N/A ALA 71.A N LEU 67.A O no hydrogen 2.948 N/A PHE 72.A N MET 68.A O no hydrogen 2.788 N/A ASN 73.A N GLN 69.A O no hydrogen 2.988 N/A SER 74.A N ALA 71.A O no hydrogen 3.302 N/A SER 74.A OG SER 76.A OG no hydrogen 2.914 N/A SER 76.A OG SER 74.A OG no hydrogen 2.914 N/A PHE 77.A N SER 74.A O no hydrogen 3.052 N/A THR 81.A N ASN 78.A OD1 no hydrogen 2.896 N/A PHE 82.A N ASN 78.A O no hydrogen 3.097 N/A LEU 83.A N SER 79.A O no hydrogen 2.984 N/A THR 84.A N ASN 80.A O no hydrogen 2.897 N/A THR 84.A OG1 ASN 80.A O no hydrogen 3.234 N/A ARG 85.A N THR 81.A O no hydrogen 2.913 N/A ARG 85.A NE GLU 37.A OE1 no hydrogen 2.823 N/A ARG 85.A NH1 ASP 97.A OD1 no hydrogen 2.917 N/A ARG 85.A NH1 ASP 97.A OD2 no hydrogen 3.567 N/A ARG 85.A NH2 GLU 37.A OE2 no hydrogen 2.899 N/A ARG 85.A NH2 ASP 97.A OD2 no hydrogen 2.891 N/A LEU 86.A N PHE 82.A O no hydrogen 2.867 N/A LEU 87.A N LEU 83.A O no hydrogen 2.980 N/A VAL 88.A N THR 84.A O no hydrogen 2.942 N/A HIS 89.A N ARG 85.A O no hydrogen 2.907 N/A HIS 89.A NE2 GLU 37.A OE2 no hydrogen 2.774 N/A MET 90.A N LEU 86.A O no hydrogen 2.883 N/A GLY 91.A N VAL 88.A O no hydrogen 2.926 N/A LEU 92.A N LEU 87.A O no hydrogen 2.879 N/A SER 95.A OG ASP 97.A O no hydrogen 2.727 N/A SER 95.A OG ASP 97.A OD1 no hydrogen 3.345 N/A ILE 102.A N HIS 89.A O no hydrogen 3.346 N/A TYR 106.A N ASN 104.A OD1 no hydrogen 3.002 N/A LEU 109.A N LEU 105.A O no hydrogen 2.883 N/A MET 110.A N TYR 106.A O no hydrogen 2.971 N/A ALA 111.A N GLY 107.A O no hydrogen 2.826 N/A LEU 112.A N PRO 108.A O no hydrogen 2.903 N/A ASN 113.A N LEU 109.A O no hydrogen 2.907 N/A HIS 114.A N MET 110.A O no hydrogen 3.281 N/A HIS 114.A NE2 ASP 65.A OD2 no hydrogen 2.700 N/A MET 115.A N ALA 111.A O no hydrogen 2.871 N/A VAL 116.A N LEU 112.A O no hydrogen 2.997 N/A GLN 117.A N HIS 114.A O no hydrogen 3.128 N/A GLN 117.A NE2 ASN 113.A O no hydrogen 2.937 N/A GLN 118.A N MET 115.A O no hydrogen 3.038 N/A GLN 118.A NE2 HIS 114.A O no hydrogen 2.936 N/A TYR 120.A OH ASP 65.A OD1 no hydrogen 2.612 N/A PHE 121.A N GLN 118.A O no hydrogen 3.127 N/A LEU 125.A N PRO 122.A O no hydrogen 2.999 N/A ALA 126.A N LYS 123.A O no hydrogen 2.991 N/A LEU 129.A N LEU 125.A O no hydrogen 3.008 N/A LEU 130.A N ALA 126.A O no hydrogen 2.850 N/A ALA 131.A N PRO 127.A O no hydrogen 2.953 N/A PHE 132.A N LEU 128.A O no hydrogen 3.199 N/A VAL 133.A N LEU 129.A O no hydrogen 2.920 N/A VAL 133.A N LEU 130.A O no hydrogen 3.210 N/A THR 134.A N LEU 130.A O no hydrogen 2.954 N/A THR 134.A OG1 LEU 130.A O no hydrogen 3.093 N/A THR 134.A OG1 ALA 131.A O no hydrogen 3.254 N/A LYS 135.A N ALA 131.A O no hydrogen 3.250 N/A ASN 137.A ND2 GLY 91.A O no hydrogen 3.372 N/A LEU 140.A N ASN 137.A OD1 no hydrogen 3.000 N/A GLU 141.A N ASN 137.A O no hydrogen 3.028 N/A SER 142.A N SER 138.A O no hydrogen 3.126 N/A SER 142.A N ALA 139.A O no hydrogen 3.351 N/A SER 142.A OG SER 138.A O no hydrogen 2.962 N/A CYS 143.A N LEU 140.A O no hydrogen 3.048 N/A CYS 143.A SG ASN 104.A OD1 no hydrogen 3.650 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.650 N/A ARG 147.A N CYS 143.A O no hydrogen 2.906 N/A ARG 147.A NE VAL 133.A O no hydrogen 2.844 N/A ARG 147.A NH2 VAL 133.A O no hydrogen 3.076 N/A HIS 148.A N SER 144.A O no hydrogen 2.787 N/A SER 149.A N PHE 145.A O no hydrogen 2.938 N/A SER 149.A OG PHE 145.A O no hydrogen 2.842 N/A LEU 150.A N ALA 146.A O no hydrogen 2.958 N/A LEU 151.A N ARG 147.A O no hydrogen 3.014 N/A GLN 152.A N HIS 148.A O no hydrogen 2.914 N/A THR 153.A N SER 149.A O no hydrogen 3.018 N/A THR 153.A OG1 ASN 113.A OD1 no hydrogen 2.539 N/A THR 153.A OG1 SER 149.A O no hydrogen 3.125 N/A LEU 154.A N LEU 150.A O no hydrogen 2.837 N/A TYR 155.A N LEU 151.A O no hydrogen 2.975 N/A LYS 156.A N THR 153.A O no hydrogen 2.936 N/A VAL 157.A N LEU 154.A O no hydrogen 3.163 N/A