Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ecj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N PRO 26.A O no hydrogen 3.330 N/A ILE 3.A N PRO 26.A O no hydrogen 3.445 N/A ASP 4.A N VAL 57.A O no hydrogen 2.935 N/A LEU 5.A N ARG 28.A O no hydrogen 2.914 N/A TYR 6.A N ALA 55.A O no hydrogen 2.845 N/A THR 7.A N HIS 30.A O no hydrogen 3.118 N/A THR 7.A OG1 ALA 8.A O no hydrogen 3.270 N/A THR 10.A N ALA 8.A O no hydrogen 2.908 N/A GLY 13.A N THR 10.A OG1 no hydrogen 3.185 N/A HIS 14.A N THR 10.A O no hydrogen 2.919 N/A LYS 15.A N PRO 11.A O no hydrogen 3.143 N/A LYS 15.A NZ ASN 12.A OD1 no hydrogen 3.132 N/A LYS 15.A NZ SER 69.A OG no hydrogen 2.877 N/A LYS 15.A NZ GLN 101.A OE1 no hydrogen 2.923 N/A VAL 16.A N GLY 13.A O no hydrogen 3.041 N/A SER 17.A N GLY 13.A O no hydrogen 3.111 N/A SER 17.A OG HIS 14.A O no hydrogen 3.433 N/A SER 17.A OG GLY 198.A O no hydrogen 2.652 N/A ILE 18.A N HIS 14.A O no hydrogen 2.876 N/A ALA 19.A N LYS 15.A O no hydrogen 3.039 N/A LEU 20.A N VAL 16.A O no hydrogen 2.923 N/A GLU 21.A N SER 17.A O no hydrogen 3.024 N/A GLU 22.A N ILE 18.A O no hydrogen 2.871 N/A MET 23.A N ALA 19.A O no hydrogen 2.971 N/A LEU 25.A N LEU 20.A O no hydrogen 3.191 N/A TYR 27.A OH GLU 21.A OE2 no hydrogen 2.629 N/A ARG 28.A N ILE 3.A O no hydrogen 2.918 N/A HIS 30.A N LEU 5.A O no hydrogen 2.766 N/A HIS 30.A NE2 ASP 4.A OD1 no hydrogen 2.793 N/A LEU 32.A N THR 7.A O no hydrogen 3.032 N/A SER 33.A N GLU 38.A OE1 no hydrogen 2.770 N/A LYS 36.A N SER 33.A O no hydrogen 3.246 N/A LYS 37.A N PHE 34.A O no hydrogen 2.769 N/A GLU 38.A N SER 33.A O no hydrogen 3.037 N/A GLN 39.A N GLN 39.A OE1 no hydrogen 2.602 N/A LYS 40.A N LYS 37.A O no hydrogen 3.166 N/A LYS 40.A NZ GLY 51.A O no hydrogen 2.998 N/A ALA 41.A N GLU 38.A O no hydrogen 3.412 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.691 N/A LEU 45.A N ALA 41.A O no hydrogen 2.997 N/A ARG 46.A N PRO 42.A O no hydrogen 3.160 N/A ILE 47.A N PHE 44.A O no hydrogen 2.810 N/A ASN 48.A N PHE 44.A O no hydrogen 2.919 N/A ASN 48.A ND2 ARG 52.A O no hydrogen 2.720 N/A ASN 50.A N ASN 48.A OD1 no hydrogen 2.853 N/A GLY 51.A N ASN 48.A O no hydrogen 2.896 N/A ALA 55.A N TYR 6.A O no hydrogen 3.102 N/A ILE 56.A N VAL 66.A O no hydrogen 2.877 N/A VAL 57.A N ASP 4.A O no hydrogen 3.002 N/A ASP 58.A N PHE 64.A O no hydrogen 2.869 N/A ARG 59.A N MET 2.A O no hydrogen 2.784 N/A ARG 59.A NE ASP 4.A OD2 no hydrogen 2.689 N/A ARG 59.A NH2 ASP 4.A OD1 no hydrogen 2.700 N/A ARG 59.A NH2 ASP 4.A OD2 no hydrogen 3.383 N/A ASP 60.A N ASP 58.A OD1 no hydrogen 2.917 N/A ASN 61.A N ASP 58.A O no hydrogen 3.097 N/A PHE 64.A N ASN 61.A O no hydrogen 3.226 N/A VAL 66.A N ILE 56.A O no hydrogen 2.868 N/A ILE 72.A N GLU 68.A O no hydrogen 2.925 N/A LEU 73.A N SER 69.A O no hydrogen 2.915 N/A ILE 74.A N GLY 70.A O no hydrogen 3.158 N/A TYR 75.A N ALA 71.A O no hydrogen 2.945 N/A TYR 75.A OH ASP 58.A OD2 no hydrogen 2.563 N/A TYR 75.A OH ASN 61.A OD1 no hydrogen 2.917 N/A LEU 76.A N ILE 72.A O no hydrogen 2.900 N/A ALA 77.A N LEU 73.A O no hydrogen 2.927 N/A GLU 78.A N ILE 74.A O no hydrogen 2.869 N/A LYS 79.A N TYR 75.A O no hydrogen 2.894 N/A LYS 79.A NZ ASP 58.A OD1 no hydrogen 3.537 N/A LYS 79.A NZ ASP 58.A OD2 no hydrogen 2.879 N/A LYS 79.A NZ ASP 60.A OD2 no hydrogen 3.272 N/A THR 80.A N LEU 76.A O no hydrogen 2.990 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.986 N/A GLY 81.A N ALA 77.A O no hydrogen 2.785 N/A GLN 82.A N THR 80.A OG1 no hydrogen 3.123 N/A GLN 82.A NE2 MET 23.A O no hydrogen 3.171 N/A GLY 90.A N ASP 87.A OD1 no hydrogen 2.951 N/A ARG 91.A N ASP 87.A O no hydrogen 2.839 N/A ARG 91.A NH1.A GLU 78.A OE2 no hydrogen 2.549 N/A ARG 91.A NH1.B ALA 86.A O no hydrogen 2.768 N/A ARG 91.A NH2.A GLU 78.A OE2 no hydrogen 2.764 N/A SER 92.A N VAL 88.A O no hydrogen 2.993 N/A ARG 93.A N LYS 89.A O no hydrogen 2.860 N/A VAL 94.A N GLY 90.A O no hydrogen 3.354 N/A ILE 95.A N ARG 91.A O no hydrogen 3.074 N/A GLN 96.A N SER 92.A O no hydrogen 2.805 N/A GLN 96.A NE2 SER 92.A OG no hydrogen 2.896 N/A TRP 97.A N ARG 93.A O no hydrogen 3.189 N/A LEU 98.A N VAL 94.A O no hydrogen 2.826 N/A MET 99.A N ILE 95.A O no hydrogen 2.847 N/A PHE 100.A N GLN 96.A O no hydrogen 2.923 N/A GLN 101.A N TRP 97.A O no hydrogen 3.117 N/A MET 102.A N LEU 98.A O no hydrogen 2.921 N/A GLY 103.A N MET 99.A O no hydrogen 2.831 N/A VAL 105.A N PHE 100.A O no hydrogen 3.282 N/A GLY 106.A N GLN 101.A O no hydrogen 2.881 N/A MET 108.A N GLY 104.A O no hydrogen 2.910 N/A GLN 109.A N VAL 105.A O no hydrogen 2.880 N/A GLN 109.A NE2 TRP 165.A O no hydrogen 2.895 N/A GLN 109.A NE2 SER 172.A OG no hydrogen 2.858 N/A GLY 110.A N GLY 106.A O no hydrogen 2.860 N/A GLN 111.A N PRO 107.A O no hydrogen 3.016 N/A GLN 111.A NE2 PRO 107.A O no hydrogen 3.055 N/A ALA 112.A N MET 108.A O no hydrogen 3.066 N/A ASN 113.A N GLN 109.A O no hydrogen 3.033 N/A VAL 114.A N GLY 110.A O no hydrogen 3.021 N/A PHE 115.A N GLN 111.A O no hydrogen 2.966 N/A PHE 116.A N ALA 112.A O no hydrogen 2.833 N/A ARG 117.A N ASN 113.A O no hydrogen 2.902 N/A ARG 117.A NE TRP 171.A O no hydrogen 2.878 N/A ARG 117.A NH2 ASP 170.A O no hydrogen 3.456 N/A ARG 117.A NH2 TRP 171.A O no hydrogen 3.383 N/A TYR 118.A N VAL 114.A O no hydrogen 2.892 N/A GLN 124.A NE2 ASP 128.A OD1 no hydrogen 2.841 N/A ILE 127.A N LEU 123.A O no hydrogen 3.013 N/A ASP 128.A N GLN 124.A O no hydrogen 2.876 N/A ARG 129.A N GLY 125.A O no hydrogen 2.992 N/A TYR 130.A N ALA 126.A O no hydrogen 3.197 N/A GLN 131.A N ILE 127.A O no hydrogen 3.014 N/A GLN 131.A NE2 SER 172.A O no hydrogen 2.958 N/A HIS 132.A N ASP 128.A O no hydrogen 2.866 N/A GLU 133.A N ARG 129.A O no hydrogen 2.875 N/A THR 134.A N TYR 130.A O no hydrogen 2.869 N/A THR 134.A OG1 TYR 130.A O no hydrogen 2.703 N/A ARG 135.A N GLN 131.A O no hydrogen 2.999 N/A ARG 135.A NE GLU 139.A OE2 no hydrogen 2.845 N/A ARG 135.A NH1 ALA 175.A O no hydrogen 2.927 N/A ARG 135.A NH1 ASP 177.A O no hydrogen 2.923 N/A ARG 135.A NH2 ASP 177.A O no hydrogen 3.010 N/A ARG 136.A N HIS 132.A O no hydrogen 2.953 N/A ARG 136.A NE GLU 133.A OE1 no hydrogen 2.982 N/A ARG 136.A NH2 GLU 133.A OE2 no hydrogen 2.871 N/A LEU 137.A N GLU 133.A O no hydrogen 2.952 N/A TYR 138.A N THR 134.A O no hydrogen 2.903 N/A TYR 138.A OH GLN 109.A OE1 no hydrogen 2.779 N/A GLU 139.A N ARG 135.A O no hydrogen 2.919 N/A VAL 140.A N ARG 136.A O no hydrogen 3.128 N/A LEU 141.A N LEU 137.A O no hydrogen 2.977 N/A ASP 142.A N TYR 138.A O no hydrogen 2.792 N/A GLY 143.A N GLU 139.A O no hydrogen 2.973 N/A ARG 144.A N VAL 140.A O no hydrogen 3.103 N/A ARG 144.A NE LEU 151.A O no hydrogen 2.651 N/A ARG 144.A NH1 GLU 147.A OE2 no hydrogen 2.978 N/A ARG 144.A NH2 LEU 151.A O no hydrogen 3.004 N/A LEU 145.A N LEU 141.A O no hydrogen 2.924 N/A GLY 146.A N GLY 143.A O no hydrogen 3.080 N/A GLU 147.A N ARG 144.A O no hydrogen 2.784 N/A ALA 148.A N ARG 144.A O no hydrogen 3.231 N/A TYR 150.A N GLY 153.A O no hydrogen 3.130 N/A LEU 151.A N ASP 159.A OD1 no hydrogen 2.998 N/A GLY 153.A N TYR 150.A O no hydrogen 2.936 N/A TYR 155.A OH GLU 22.A OE2 no hydrogen 2.740 N/A SER 156.A N ASP 159.A OD2 no hydrogen 2.845 N/A ILE 157.A N LEU 83.A O no hydrogen 3.017 N/A ALA 158.A N SER 156.A OG no hydrogen 3.026 N/A ILE 160.A N SER 156.A O no hydrogen 3.229 N/A ALA 161.A N ILE 157.A O no hydrogen 2.976 N/A THR 162.A N ALA 158.A O no hydrogen 3.315 N/A THR 162.A N ASP 159.A O no hydrogen 3.116 N/A THR 162.A OG1 ALA 158.A O no hydrogen 2.862 N/A TYR 163.A N ASP 159.A O no hydrogen 2.907 N/A TRP 165.A N THR 162.A O no hydrogen 3.138 N/A TRP 165.A NE1 ASN 12.A OD1 no hydrogen 3.090 N/A VAL 166.A N THR 162.A O no hydrogen 3.166 N/A ARG 167.A N TYR 163.A O no hydrogen 2.800 N/A ILE 168.A N TRP 165.A O no hydrogen 3.021 N/A HIS 169.A N VAL 166.A O no hydrogen 2.955 N/A HIS 169.A ND1 VAL 174.A O no hydrogen 2.932 N/A SER 172.A N ILE 168.A O no hydrogen 3.353 N/A SER 172.A N HIS 169.A O no hydrogen 2.990 N/A SER 172.A OG ASN 113.A OD1 no hydrogen 2.629 N/A SER 172.A OG ILE 168.A O no hydrogen 3.460 N/A GLY 173.A N ASP 170.A O no hydrogen 3.093 N/A VAL 174.A N HIS 169.A O no hydrogen 2.987 N/A LEU 179.A N VAL 176.A O no hydrogen 3.035 N/A ASN 181.A ND2 ASP 142.A O no hydrogen 3.003 N/A LEU 182.A N ASP 142.A OD1 no hydrogen 2.850 N/A GLN 183.A N LEU 179.A O no hydrogen 2.928 N/A GLN 183.A NE2 VAL 176.A O no hydrogen 2.908 N/A ARG 184.A N ASP 180.A O no hydrogen 3.046 N/A ARG 184.A NH1 LEU 145.A O no hydrogen 2.956 N/A ARG 184.A NH2 LEU 145.A O no hydrogen 2.898 N/A ARG 184.A NH2 GLU 149.A O no hydrogen 3.054 N/A TRP 185.A N ASN 181.A O no hydrogen 3.020 N/A TRP 185.A NE1 ASP 159.A OD1 no hydrogen 2.809 N/A ILE 186.A N LEU 182.A O no hydrogen 2.819 N/A ALA 187.A N GLN 183.A O no hydrogen 3.126 N/A ALA 188.A N ARG 184.A O no hydrogen 2.963 N/A ILE 189.A N TRP 185.A O no hydrogen 2.985 N/A GLU 190.A N ILE 186.A O no hydrogen 2.871 N/A ARG 192.A N ILE 189.A O no hydrogen 3.049 N/A ARG 192.A NE GLU 22.A OE2 no hydrogen 2.742 N/A ARG 192.A NH2 GLU 22.A OE1 no hydrogen 2.990 N/A GLN 196.A N ARG 192.A O no hydrogen 3.062 N/A GLN 196.A NE2 GLU 190.A O no hydrogen 2.960 N/A ARG 197.A N PRO 193.A O no hydrogen 2.930 N/A ARG 197.A NE GLU 21.A OE1 no hydrogen 2.663 N/A ARG 197.A NH2 GLU 21.A O no hydrogen 3.287 N/A ARG 197.A NH2 GLU 21.A OE1 no hydrogen 3.569 N/A GLY 198.A N ALA 194.A O no hydrogen 2.887 N/A LEU 199.A N VAL 195.A O no hydrogen 2.979 N/A LEU 200.A N ARG 197.A O no hydrogen 3.098 N/A VAL 201.A N GLY 198.A O no hydrogen 3.243 N/A