Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ncc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N MET 1.A O no hydrogen 3.425 N/A PHE 6.A N LEU 2.A O no hydrogen 2.976 N/A ASP 7.A N ARG 3.A O no hydrogen 3.090 N/A ARG 8.A N ASP 4.A O no hydrogen 3.108 N/A ALA 9.A N LEU 5.A O no hydrogen 2.615 N/A VAL 10.A N PHE 6.A O no hydrogen 2.792 N/A VAL 11.A N ASP 7.A O no hydrogen 3.039 N/A LEU 12.A N ARG 8.A O no hydrogen 3.088 N/A SER 13.A N ALA 9.A O no hydrogen 2.815 N/A SER 13.A OG ALA 9.A O no hydrogen 3.474 N/A SER 13.A OG VAL 10.A O no hydrogen 3.156 N/A SER 13.A OG ASP 170.A OD1 no hydrogen 2.665 N/A HIS 14.A N VAL 10.A O no hydrogen 3.119 N/A TYR 15.A N VAL 11.A O no hydrogen 3.208 N/A TYR 15.A OH GLU 105.A OE2.B no hydrogen 2.066 N/A ILE 16.A N LEU 12.A O no hydrogen 2.791 N/A HIS 17.A N SER 13.A O no hydrogen 3.003 N/A HIS 17.A ND1 SER 166.A OG no hydrogen 3.228 N/A ASN 18.A N HIS 14.A O no hydrogen 2.926 N/A LEU 19.A N TYR 15.A O no hydrogen 3.048 N/A SER 20.A N ILE 16.A O no hydrogen 2.845 N/A SER 20.A OG ILE 16.A O no hydrogen 2.939 N/A SER 20.A OG SER 166.A OG no hydrogen 3.349 N/A SER 21.A N HIS 17.A O no hydrogen 2.997 N/A GLU 22.A N ASN 18.A O no hydrogen 3.066 N/A MET 23.A N LEU 19.A O no hydrogen 2.866 N/A PHE 24.A N SER 20.A O no hydrogen 2.928 N/A SER 25.A N SER 21.A O no hydrogen 3.082 N/A SER 25.A OG SER 21.A O no hydrogen 3.550 N/A GLU 26.A N GLU 22.A O no hydrogen 3.032 N/A PHE 27.A N MET 23.A O no hydrogen 2.974 N/A ASP 28.A N PHE 24.A O no hydrogen 2.884 N/A LYS 29.A N SER 25.A O no hydrogen 2.855 N/A ARG 30.A N GLU 26.A O no hydrogen 3.336 N/A TYR 31.A N ASP 28.A O no hydrogen 3.224 N/A THR 32.A N ASP 28.A O no hydrogen 3.035 N/A THR 32.A OG1 ASP 28.A OD1 no hydrogen 2.675 N/A HIS 33.A N ASP 28.A O no hydrogen 2.817 N/A ARG 35.A N HIS 33.A O no hydrogen 3.111 N/A THR 39.A N GLY 36.A O no hydrogen 3.133 N/A THR 39.A OG1 GLY 36.A O no hydrogen 3.487 N/A LYS 40.A N GLY 36.A O no hydrogen 3.402 N/A LYS 40.A N PHE 37.A O no hydrogen 2.900 N/A LYS 40.A NZ GLU 149.A OE2 no hydrogen 3.050 N/A ALA 41.A N PHE 37.A O no hydrogen 2.847 N/A SER 44.A OG ALA 41.A O no hydrogen 2.960 N/A HIS 46.A NE2 SER 77.A OG no hydrogen 3.091 N/A THR 47.A OG1 ASP 165.A OD1 no hydrogen 2.514 N/A THR 47.A OG1 ASP 165.A OD2 no hydrogen 3.263 N/A SER 48.A N CYS 45.A O no hydrogen 2.956 N/A SER 48.A OG CYS 45.A O no hydrogen 3.013 N/A LEU 50.A N THR 47.A O no hydrogen 2.855 N/A GLU 54.A N GLN 58.A OE1 no hydrogen 2.898 N/A GLN 58.A N ASP 55.A OD2 no hydrogen 2.861 N/A ALA 59.A N ASP 55.A O no hydrogen 2.862 N/A GLN 60.A N LYS 56.A O no hydrogen 2.827 N/A GLN 61.A N GLU 57.A O no hydrogen 3.021 N/A MET 62.A N ALA 59.A O no hydrogen 3.199 N/A GLN 64.A NE2 HIS 125.A NE2 no hydrogen 3.581 N/A ASP 66.A N ASN 63.A OD1 no hydrogen 2.718 N/A PHE 67.A N ASN 63.A O no hydrogen 2.988 N/A LEU 68.A N GLN 64.A O no hydrogen 2.977 N/A SER 69.A N LYS 65.A O no hydrogen 2.981 N/A SER 69.A OG.B ASP 66.A O no hydrogen 3.093 N/A LEU 70.A N ASP 66.A O no hydrogen 2.858 N/A ILE 71.A N PHE 67.A O no hydrogen 3.210 N/A VAL 72.A N LEU 68.A O no hydrogen 3.098 N/A SER 73.A N SER 69.A O no hydrogen 2.894 N/A SER 73.A OG SER 69.A O no hydrogen 3.092 N/A ILE 74.A N LEU 70.A O no hydrogen 2.918 N/A LEU 75.A N ILE 71.A O no hydrogen 2.979 N/A ARG 76.A N VAL 72.A O no hydrogen 2.725 N/A ARG 76.A NH2 GLU 118.A OE1 no hydrogen 2.944 N/A SER 77.A N SER 73.A O no hydrogen 2.737 N/A SER 77.A OG HIS 46.A NE2 no hydrogen 3.091 N/A SER 77.A OG ILE 74.A O no hydrogen 2.818 N/A TRP 78.A N LEU 75.A O no hydrogen 3.114 N/A TRP 78.A NE1 ASP 165.A OD1 no hydrogen 2.755 N/A ASN 79.A N ARG 76.A O no hydrogen 3.358 N/A LEU 82.A N TRP 78.A O no hydrogen 3.015 N/A TYR 83.A N ASN 79.A O no hydrogen 3.038 N/A HIS 84.A N GLU 80.A O no hydrogen 3.090 N/A HIS 84.A NE2 GLU 80.A OE2 no hydrogen 2.726 N/A LEU 85.A N PRO 81.A O no hydrogen 2.762 N/A VAL 86.A N LEU 82.A O no hydrogen 3.118 N/A THR 87.A N TYR 83.A O no hydrogen 3.053 N/A THR 87.A OG1 TYR 83.A O no hydrogen 2.792 N/A GLU 88.A N HIS 84.A O no hydrogen 2.928 N/A VAL 89.A N LEU 85.A O no hydrogen 3.033 N/A ARG 90.A N VAL 86.A O no hydrogen 2.842 N/A GLY 91.A N THR 87.A O no hydrogen 3.137 N/A MET 92.A N VAL 89.A O no hydrogen 3.125 N/A LEU 100.A N PRO 96.A O no hydrogen 2.962 N/A SER 101.A N GLU 97.A O no hydrogen 3.244 N/A SER 101.A OG GLU 97.A O no hydrogen 2.825 N/A SER 101.A OG ALA 98.A O no hydrogen 3.064 N/A LYS 102.A N ALA 98.A O no hydrogen 3.333 N/A LYS 102.A NZ GLU 26.A OE1 no hydrogen 2.822 N/A LYS 102.A NZ ALA 98.A O no hydrogen 3.553 N/A ALA 103.A N ILE 99.A O no hydrogen 3.125 N/A VAL 104.A N LEU 100.A O no hydrogen 3.009 N/A GLU 105.A N SER 101.A O no hydrogen 3.115 N/A ILE 106.A N LYS 102.A O no hydrogen 2.706 N/A GLU 107.A N ALA 103.A O no hydrogen 2.779 N/A GLU 108.A N VAL 104.A O no hydrogen 3.015 N/A GLN 109.A N GLU 105.A O no hydrogen 2.889 N/A GLN 109.A NE2 GLU 105.A OE2.A no hydrogen 2.550 N/A THR 110.A N ILE 106.A O no hydrogen 3.001 N/A THR 110.A OG1 ILE 106.A O no hydrogen 2.736 N/A ARG 112.A N GLU 108.A O no hydrogen 3.230 N/A LEU 113.A N GLN 109.A O no hydrogen 2.782 N/A LEU 114.A N THR 110.A O no hydrogen 2.996 N/A GLU 115.A N LYS 111.A O no hydrogen 3.070 N/A ARG 116.A N ARG 112.A O no hydrogen 3.029 N/A MET 117.A N LEU 113.A O no hydrogen 2.931 N/A GLU 118.A N LEU 114.A O no hydrogen 2.845 N/A LEU 119.A N GLU 115.A O no hydrogen 2.819 N/A ILE 120.A N ARG 116.A O no hydrogen 2.822 N/A VAL 121.A N MET 117.A O no hydrogen 2.796 N/A SER 122.A N GLU 118.A O no hydrogen 3.111 N/A SER 122.A OG GLU 118.A O no hydrogen 3.445 N/A SER 122.A OG LEU 119.A O no hydrogen 3.456 N/A GLN 123.A N LEU 119.A O no hydrogen 3.197 N/A GLN 123.A N ILE 120.A O no hydrogen 3.155 N/A VAL 124.A N ILE 120.A O no hydrogen 2.914 N/A VAL 124.A N VAL 121.A O no hydrogen 3.188 N/A HIS 125.A N VAL 121.A O no hydrogen 2.751 N/A THR 128.A OG1 HIS 125.A O no hydrogen 2.675 N/A LEU 143.A N GLY 139.A O no hydrogen 3.326 N/A GLN 144.A N LEU 140.A O no hydrogen 3.123 N/A GLN 144.A N PRO 141.A O no hydrogen 2.938 N/A GLN 144.A NE2 GLU 88.A OE1 no hydrogen 3.218 N/A SER 150.A OG ASP 147.A OD1 no hydrogen 2.847 N/A ARG 151.A N ASP 147.A O no hydrogen 2.835 N/A ARG 151.A NE MET 145.A O no hydrogen 3.299 N/A LEU 152.A N GLU 148.A O no hydrogen 2.845 N/A SER 153.A N GLU 149.A O no hydrogen 3.284 N/A ALA 154.A N SER 150.A O no hydrogen 3.174 N/A TYR 155.A N ARG 151.A O no hydrogen 3.102 N/A TYR 156.A N LEU 152.A O no hydrogen 2.924 N/A ASN 157.A N SER 153.A O no hydrogen 3.071 N/A ASN 157.A ND2 LYS 40.A O no hydrogen 3.617 N/A LEU 158.A N ALA 154.A O no hydrogen 3.068 N/A LEU 159.A N TYR 155.A O no hydrogen 2.871 N/A HIS 160.A N TYR 156.A O no hydrogen 2.947 N/A CYS 161.A N ASN 157.A O no hydrogen 2.663 N/A CYS 161.A SG ASN 157.A O no hydrogen 3.045 N/A LEU 162.A N LEU 158.A O no hydrogen 2.872 N/A ARG 163.A N LEU 159.A O no hydrogen 2.964 N/A ARG 164.A N HIS 160.A O no hydrogen 3.248 N/A ASP 165.A N CYS 161.A O no hydrogen 2.973 N/A SER 166.A N LEU 162.A O no hydrogen 2.911 N/A SER 166.A OG HIS 17.A ND1 no hydrogen 3.228 N/A SER 166.A OG LEU 162.A O no hydrogen 2.843 N/A SER 166.A OG ARG 163.A O no hydrogen 3.351 N/A HIS 167.A N ARG 163.A O no hydrogen 3.249 N/A LYS 168.A N ARG 164.A O no hydrogen 2.926 N/A LYS 168.A NZ THR 52.A OG1 no hydrogen 3.298 N/A ILE 169.A N ASP 165.A O no hydrogen 2.844 N/A ASP 170.A N SER 166.A O no hydrogen 3.016 N/A ASN 171.A N HIS 167.A O no hydrogen 2.885 N/A TYR 172.A N LYS 168.A O no hydrogen 2.834 N/A TYR 172.A OH PRO 53.A O no hydrogen 2.550 N/A LEU 173.A N ILE 169.A O no hydrogen 2.912 N/A LYS 174.A N ASP 170.A O no hydrogen 3.240 N/A LYS 174.A NZ ASP 170.A OD1 no hydrogen 3.123 N/A LYS 174.A NZ ASP 170.A OD2 no hydrogen 3.037 N/A LEU 175.A N ASN 171.A O no hydrogen 3.066 N/A LEU 176.A N TYR 172.A O no hydrogen 3.046 N/A LYS 177.A N LEU 173.A O no hydrogen 2.662 N/A CYS 178.A N LYS 174.A O no hydrogen 3.054 N/A CYS 178.A SG LYS 174.A O no hydrogen 3.422 N/A ARG 179.A N LEU 175.A O no hydrogen 3.092 N/A ARG 179.A NH1 ALA 59.A O no hydrogen 3.355 N/A ARG 179.A NH2 MET 62.A O no hydrogen 2.359 N/A ILE 180.A N LEU 176.A O no hydrogen 2.778 N/A ILE 181.A N LYS 177.A O no hydrogen 3.103 N/A HIS 182.A N CYS 178.A O no hydrogen 3.048 N/A ASN 184.A N CYS 178.A O no hydrogen 2.876 N/A ASN 185.A N HIS 182.A O no hydrogen 2.875 N/A ASN 185.A ND2 HIS 182.A O no hydrogen 3.446 N/A