Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4itw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 1.A OE2 no hydrogen 2.907 N/A ASP 5.A N.A GLU 1.A O no hydrogen 3.081 N/A ASP 5.A N.B GLU 1.A O no hydrogen 3.114 N/A LEU 6.A N GLU 2.A O no hydrogen 2.821 N/A PHE 7.A N LEU 3.A O no hydrogen 3.011 N/A ASN 8.A N LEU 4.A O no hydrogen 3.085 N/A ASN 8.A ND2 LEU 4.A O no hydrogen 3.243 N/A ASN 8.A ND2 PRO 64.A O no hydrogen 2.960 N/A ARG 9.A N ASP 5.A O.A no hydrogen 2.830 N/A ARG 9.A N ASP 5.A O.B no hydrogen 2.783 N/A GLN 10.A N LEU 6.A O no hydrogen 2.899 N/A GLN 10.A N PHE 7.A O no hydrogen 3.120 N/A GLN 10.A NE2 GLU 14.A OE2 no hydrogen 2.780 N/A VAL 11.A N PHE 7.A O no hydrogen 3.365 N/A THR 12.A N ASN 8.A O no hydrogen 3.214 N/A THR 12.A OG1 ASN 8.A O no hydrogen 3.140 N/A THR 12.A OG1 GLN 68.A OE1 no hydrogen 2.562 N/A GLN 13.A N ARG 9.A O no hydrogen 3.016 N/A GLU 14.A N GLN 10.A O no hydrogen 2.913 N/A PHE 15.A N VAL 11.A O no hydrogen 3.127 N/A THR 16.A N THR 12.A O no hydrogen 2.702 N/A THR 16.A OG1 THR 12.A O no hydrogen 2.712 N/A ALA 17.A N GLN 13.A O no hydrogen 2.877 N/A SER 18.A N GLU 14.A O no hydrogen 2.832 N/A SER 18.A OG SER 44.A O no hydrogen 2.908 N/A SER 18.A OG SER 44.A OG no hydrogen 3.282 N/A GLN 19.A N PHE 15.A O no hydrogen 3.099 N/A VAL 20.A N THR 16.A O no hydrogen 2.897 N/A TYR 21.A N ALA 17.A O no hydrogen 2.911 N/A TYR 21.A OH GLU 92.A OE2 no hydrogen 2.678 N/A LEU 22.A N SER 18.A O no hydrogen 3.046 N/A SER 23.A N.A GLN 19.A O no hydrogen 2.826 N/A SER 23.A N.B GLN 19.A O no hydrogen 2.830 N/A SER 23.A OG.A VAL 20.A O no hydrogen 2.526 N/A ALA 24.A N VAL 20.A O no hydrogen 2.887 N/A SER 25.A N.A TYR 21.A O no hydrogen 3.004 N/A SER 25.A N.B TYR 21.A O no hydrogen 3.003 N/A SER 25.A OG.A LEU 22.A O no hydrogen 2.874 N/A SER 25.A OG.B ALA 37.A O no hydrogen 2.798 N/A ILE 26.A N LEU 22.A O no hydrogen 2.985 N/A TRP 27.A N SER 23.A O.A no hydrogen 3.037 N/A TRP 27.A N SER 23.A O.B no hydrogen 3.052 N/A PHE 28.A N ALA 24.A O no hydrogen 2.804 N/A ASP 29.A N SER 25.A O.A no hydrogen 2.805 N/A ASP 29.A N SER 25.A O.B no hydrogen 2.845 N/A GLN 30.A N ILE 26.A O no hydrogen 2.796 N/A ASN 31.A N TRP 27.A O no hydrogen 3.059 N/A ASN 31.A N PHE 28.A O no hydrogen 3.102 N/A ASN 31.A ND2 TRP 27.A O no hydrogen 2.815 N/A ASP 32.A N ASP 29.A O no hydrogen 3.144 N/A TRP 33.A N PHE 28.A O no hydrogen 2.822 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.841 N/A GLY 35.A N ASP 153.A OD2 no hydrogen 2.970 N/A MET 36.A N ASP 153.A OD1 no hydrogen 2.823 N/A ALA 37.A N TRP 33.A O no hydrogen 2.961 N/A ALA 38.A N GLU 34.A O no hydrogen 3.023 N/A TYR 39.A N GLY 35.A O no hydrogen 3.041 N/A MET 40.A N MET 36.A O no hydrogen 3.005 N/A LEU 41.A N ALA 37.A O no hydrogen 2.890 N/A ALA 42.A N ALA 38.A O no hydrogen 2.910 N/A GLU 43.A N TYR 39.A O no hydrogen 3.018 N/A SER 44.A N MET 40.A O no hydrogen 2.819 N/A SER 44.A OG SER 18.A O no hydrogen 2.662 N/A SER 44.A OG SER 18.A OG no hydrogen 3.282 N/A ALA 45.A N LEU 41.A O no hydrogen 3.202 N/A GLU 46.A N ALA 42.A O no hydrogen 3.104 N/A GLU 47.A N GLU 43.A O no hydrogen 2.988 N/A ARG 48.A N SER 44.A O no hydrogen 3.063 N/A GLU 49.A N ALA 45.A O no hydrogen 2.984 N/A HIS 50.A N GLU 46.A O no hydrogen 2.881 N/A HIS 50.A ND1 GLU 47.A OE1 no hydrogen 3.306 N/A GLY 51.A N GLU 47.A O no hydrogen 3.057 N/A LEU 52.A N ARG 48.A O no hydrogen 2.862 N/A GLY 53.A N GLU 49.A O no hydrogen 2.934 N/A PHE 54.A N HIS 50.A O no hydrogen 3.066 N/A VAL 55.A N GLY 51.A O no hydrogen 2.904 N/A ASP 56.A N LEU 52.A O no hydrogen 2.998 N/A PHE 57.A N GLY 53.A O no hydrogen 3.090 N/A ALA 58.A N PHE 54.A O no hydrogen 2.944 N/A ASN 59.A N VAL 55.A O no hydrogen 2.880 N/A LYS 60.A N ASP 56.A O no hydrogen 3.001 N/A ARG 61.A N PHE 57.A O no hydrogen 2.836 N/A ARG 61.A NE ARG 61.A O no hydrogen 3.219 N/A ARG 61.A NH1 ASP 111.A OD1 no hydrogen 3.024 N/A ARG 61.A NH2 ASP 111.A OD1 no hydrogen 3.461 N/A ARG 61.A NH2 ASP 111.A OD2 no hydrogen 2.497 N/A ASN 62.A N ASN 59.A O no hydrogen 3.081 N/A ILE 63.A N ALA 58.A O no hydrogen 2.846 N/A GLU 66.A N ASN 8.A OD1 no hydrogen 2.871 N/A GLU 77.A N SER 75.A O no hydrogen 2.932 N/A TRP 78.A NE1 SER 87.A OG no hydrogen 2.931 N/A SER 79.A N ASP 83.A OD2 no hydrogen 2.899 N/A SER 79.A OG ASP 83.A OD2 no hydrogen 3.208 N/A ASP 83.A N SER 80.A O no hydrogen 2.867 N/A ASP 83.A N SER 80.A OG no hydrogen 3.336 N/A VAL 84.A N SER 80.A O no hydrogen 3.388 N/A TRP 85.A N PRO 81.A O no hydrogen 3.064 N/A GLN 86.A N GLU 82.A O no hydrogen 3.006 N/A GLN 86.A NE2 GLU 90.A OE2 no hydrogen 2.662 N/A SER 87.A N ASP 83.A O no hydrogen 3.146 N/A SER 87.A OG ASP 83.A O no hydrogen 3.295 N/A ILE 88.A N VAL 84.A O no hydrogen 2.897 N/A LEU 89.A N TRP 85.A O no hydrogen 2.885 N/A GLU 90.A N GLN 86.A O no hydrogen 3.065 N/A LEU 91.A N SER 87.A O no hydrogen 2.868 N/A GLU 92.A N ILE 88.A O no hydrogen 2.966 N/A GLN 93.A N LEU 89.A O no hydrogen 2.873 N/A ALA 94.A N GLU 90.A O no hydrogen 2.978 N/A ASN 95.A N LEU 91.A O no hydrogen 2.785 N/A THR 96.A N GLU 92.A O no hydrogen 2.967 N/A THR 96.A OG1 GLU 92.A O no hydrogen 3.219 N/A THR 96.A OG1 GLU 129.A OE2 no hydrogen 2.624 N/A ARG 97.A N GLN 93.A O no hydrogen 3.064 N/A SER 98.A N.A ALA 94.A O no hydrogen 2.917 N/A SER 98.A N.B ALA 94.A O no hydrogen 2.953 N/A SER 98.A OG.A GLN 10.A OE1 no hydrogen 2.799 N/A SER 98.A OG.A ASN 95.A O no hydrogen 2.668 N/A SER 98.A OG.B GLN 10.A OE1 no hydrogen 2.495 N/A LEU 99.A N ASN 95.A O no hydrogen 3.081 N/A LEU 100.A N THR 96.A O no hydrogen 2.897 N/A ASN 101.A N ARG 97.A O no hydrogen 2.776 N/A LEU 102.A N SER 98.A O.A no hydrogen 3.435 N/A LEU 102.A N SER 98.A O.B no hydrogen 2.890 N/A ALA 103.A N LEU 99.A O no hydrogen 2.856 N/A GLU 104.A N LEU 100.A O no hydrogen 2.828 N/A ALA 105.A N ASN 101.A O no hydrogen 3.057 N/A ALA 106.A N LEU 102.A O no hydrogen 3.084 N/A SER 107.A N ALA 103.A O no hydrogen 2.851 N/A THR 108.A N GLU 104.A O no hydrogen 3.010 N/A THR 108.A OG1 GLU 104.A O no hydrogen 3.265 N/A CYS 109.A N ALA 105.A O no hydrogen 2.992 N/A CYS 109.A SG ALA 105.A O no hydrogen 3.381 N/A HIS 110.A N SER 107.A O no hydrogen 2.792 N/A ASP 111.A N ALA 106.A O no hydrogen 2.730 N/A VAL 114.A N ASP 111.A OD1 no hydrogen 3.142 N/A MET 115.A N ASP 111.A O no hydrogen 3.047 N/A ALA 116.A N PHE 112.A O no hydrogen 2.897 N/A PHE 117.A N ALA 113.A O no hydrogen 2.951 N/A LEU 118.A N VAL 114.A O no hydrogen 3.010 N/A ASN 119.A N MET 115.A O no hydrogen 3.281 N/A ASN 119.A N ALA 116.A O no hydrogen 3.349 N/A ASN 119.A ND2 HIS 122.A ND1 no hydrogen 3.628 N/A HIS 122.A N LEU 118.A O no hydrogen 2.980 N/A LEU 123.A N ASN 119.A O no hydrogen 3.166 N/A GLN 124.A N PRO 120.A O no hydrogen 2.910 N/A GLN 125.A N PHE 121.A O no hydrogen 2.998 N/A GLN 125.A NE2 GLU 92.A O no hydrogen 3.369 N/A GLN 125.A NE2 GLU 92.A OE1 no hydrogen 2.877 N/A GLN 125.A NE2 THR 96.A OG1 no hydrogen 3.105 N/A VAL 126.A N HIS 122.A O no hydrogen 3.242 N/A ASN 127.A N LEU 123.A O no hydrogen 3.217 N/A GLU 128.A N GLN 124.A O no hydrogen 2.862 N/A GLU 129.A N GLN 125.A O no hydrogen 2.840 N/A ASP 130.A N VAL 126.A O no hydrogen 3.104 N/A LYS 131.A N ASN 127.A O no hydrogen 2.880 N/A LYS 131.A NZ TYR 39.A OH no hydrogen 3.014 N/A LYS 131.A NZ GLU 128.A OE1 no hydrogen 3.538 N/A LYS 131.A NZ GLU 128.A OE2 no hydrogen 3.192 N/A ILE 132.A N.A GLU 128.A O no hydrogen 3.025 N/A ILE 132.A N.B GLU 128.A O no hydrogen 3.007 N/A GLY 133.A N GLU 129.A O no hydrogen 2.858 N/A SER 134.A N ASP 130.A O no hydrogen 2.973 N/A ILE 135.A N LYS 131.A O no hydrogen 2.942 N/A LEU 136.A N ILE 132.A O.A no hydrogen 2.675 N/A LEU 136.A N ILE 132.A O.B no hydrogen 2.781 N/A ALA 137.A N GLY 133.A O no hydrogen 2.982 N/A LYS 138.A N SER 134.A O no hydrogen 3.245 N/A LYS 138.A NZ SER 134.A O no hydrogen 3.408 N/A LYS 138.A NZ SER 134.A OG no hydrogen 2.981 N/A VAL 139.A N ILE 135.A O no hydrogen 2.849 N/A THR 140.A N LEU 136.A O no hydrogen 2.966 N/A THR 140.A OG1.A LEU 136.A O no hydrogen 3.284 N/A THR 140.A OG1.A ALA 137.A O no hydrogen 3.157 N/A THR 140.A OG1.B LEU 136.A O no hydrogen 2.825 N/A ASP 141.A N ALA 137.A O no hydrogen 2.886 N/A GLU 142.A N LYS 138.A O no hydrogen 2.923 N/A ASN 143.A N VAL 139.A O no hydrogen 2.876 N/A ASN 143.A ND2 GLU 82.A OE1 no hydrogen 2.732 N/A ARG 144.A N ASP 141.A O no hydrogen 3.233 N/A ARG 144.A NH2 ASP 141.A OD1 no hydrogen 2.766 N/A THR 145.A N GLU 142.A O no hydrogen 3.339 N/A LEU 148.A N THR 145.A O no hydrogen 3.058 N/A ARG 150.A NH1 ASN 31.A O no hydrogen 3.257 N/A SER 151.A N GLY 147.A O no hydrogen 3.374 N/A SER 151.A N LEU 148.A O no hydrogen 2.962 N/A SER 151.A OG LEU 148.A O no hydrogen 2.700 N/A LEU 152.A N LEU 148.A O no hydrogen 3.279 N/A LEU 152.A N LEU 149.A O no hydrogen 2.937 N/A ASP 153.A N LEU 149.A O no hydrogen 3.087 N/A