Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1agr_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 LEU 127.A O no hydrogen 3.123 N/A GLU 5.A N SER 2.A O no hydrogen 3.091 N/A VAL 6.A N SER 2.A O no hydrogen 2.991 N/A LYS 7.A N GLN 3.A O no hydrogen 2.962 N/A TRP 9.A N GLU 5.A O no hydrogen 3.141 N/A TRP 9.A N VAL 6.A O no hydrogen 3.261 N/A ALA 10.A N LYS 7.A O no hydrogen 3.046 N/A GLU 11.A N LYS 8.A O no hydrogen 3.076 N/A SER 12.A OG GLU 14.A OE1 no hydrogen 2.994 N/A SER 12.A OG ASN 15.A OD1 no hydrogen 3.087 N/A ASN 15.A ND2 LYS 8.A O no hydrogen 2.635 N/A LEU 16.A N SER 12.A O no hydrogen 3.307 N/A ILE 17.A N LEU 13.A O no hydrogen 3.029 N/A ASN 18.A N GLU 14.A O no hydrogen 2.886 N/A HIS 19.A N ASN 15.A O no hydrogen 3.028 N/A HIS 19.A N LEU 16.A O no hydrogen 3.225 N/A CYS 21.A N HIS 19.A ND1 no hydrogen 3.016 N/A LEU 23.A N HIS 19.A O no hydrogen 2.781 N/A ALA 24.A N GLU 20.A O no hydrogen 3.235 N/A ALA 25.A N CYS 21.A O no hydrogen 2.895 N/A PHE 26.A N GLY 22.A O no hydrogen 2.840 N/A LYS 27.A N LEU 23.A O no hydrogen 2.975 N/A LYS 27.A NZ ASP 40.A OD1 no hydrogen 2.695 N/A LYS 27.A NZ ASP 40.A OD2 no hydrogen 3.493 N/A ALA 28.A N ALA 24.A O no hydrogen 3.157 N/A PHE 29.A N ALA 25.A O no hydrogen 2.922 N/A LEU 30.A N PHE 26.A O no hydrogen 2.822 N/A LYS 31.A N LYS 27.A O no hydrogen 3.149 N/A SER 32.A N PHE 29.A O no hydrogen 2.785 N/A SER 32.A OG PHE 29.A O no hydrogen 2.538 N/A GLU 33.A N PHE 29.A O no hydrogen 3.073 N/A TYR 34.A N LYS 31.A O no hydrogen 3.137 N/A SER 35.A N LEU 30.A O no hydrogen 2.794 N/A ASN 38.A N SER 35.A O no hydrogen 3.064 N/A ASP 40.A N GLU 36.A O no hydrogen 2.996 N/A PHE 41.A N GLU 37.A O no hydrogen 3.165 N/A TRP 42.A N ASN 38.A O no hydrogen 3.223 N/A ILE 43.A N ILE 39.A O no hydrogen 2.803 N/A SER 44.A N ASP 40.A O no hydrogen 2.952 N/A SER 44.A OG ASP 40.A O no hydrogen 3.021 N/A CYS 45.A N PHE 41.A O no hydrogen 3.041 N/A CYS 45.A SG PHE 41.A O no hydrogen 3.255 N/A GLU 46.A N TRP 42.A O no hydrogen 2.997 N/A GLU 47.A N ILE 43.A O no hydrogen 2.792 N/A TYR 48.A N SER 44.A O no hydrogen 2.927 N/A TYR 48.A OH THR 95.A O no hydrogen 2.662 N/A LYS 49.A N CYS 45.A O no hydrogen 3.026 N/A LYS 49.A NZ GLU 46.A OE1 no hydrogen 2.632 N/A LYS 49.A NZ GLN 103.A OE1 no hydrogen 3.022 N/A LYS 50.A N GLU 46.A O no hydrogen 3.323 N/A LYS 50.A N GLU 47.A O no hydrogen 2.519 N/A ILE 51.A N TYR 48.A O no hydrogen 2.937 N/A SER 55.A OG SER 53.A OG no hydrogen 3.352 N/A LYS 56.A N SER 53.A O no hydrogen 3.259 N/A LYS 56.A N SER 53.A OG no hydrogen 3.377 N/A LYS 60.A N LYS 56.A O no hydrogen 3.258 N/A LYS 60.A NZ GLU 47.A OE1 no hydrogen 3.058 N/A ALA 61.A N LEU 57.A O no hydrogen 2.903 N/A LYS 62.A N SER 58.A O no hydrogen 2.858 N/A LYS 63.A N PRO 59.A O no hydrogen 2.973 N/A ILE 64.A N LYS 60.A O no hydrogen 2.826 N/A TYR 65.A N ALA 61.A O no hydrogen 2.907 N/A TYR 65.A OH SER 88.A OG no hydrogen 2.855 N/A ASN 66.A N LYS 62.A O no hydrogen 3.269 N/A GLU 67.A N LYS 63.A O no hydrogen 2.984 N/A GLU 67.A N ILE 64.A O no hydrogen 3.182 N/A PHE 68.A N ILE 64.A O no hydrogen 2.835 N/A ILE 69.A N TYR 65.A O no hydrogen 2.853 N/A SER 70.A N TYR 65.A O no hydrogen 2.880 N/A GLN 72.A N SER 70.A OG no hydrogen 2.722 N/A ALA 73.A N SER 70.A O no hydrogen 2.542 N/A LYS 75.A N GLU 67.A O no hydrogen 3.165 N/A LYS 75.A NZ ASP 40.A OD2 no hydrogen 2.843 N/A LYS 75.A NZ GLU 67.A OE2 no hydrogen 3.204 N/A GLU 76.A N ALA 73.A O no hydrogen 2.499 N/A VAL 77.A N PHE 68.A O no hydrogen 2.970 N/A ASP 80.A N ASP 80.A OD1 no hydrogen 2.544 N/A CYS 82.A SG ASP 80.A OD2 no hydrogen 2.857 N/A CYS 82.A SG THR 83.A OG1 no hydrogen 3.771 N/A THR 83.A OG1 ASP 80.A OD1 no hydrogen 3.172 N/A THR 83.A OG1 ASP 80.A OD2 no hydrogen 3.508 N/A ARG 84.A N ASP 80.A O no hydrogen 3.074 N/A GLU 85.A N SER 81.A O no hydrogen 2.788 N/A GLU 86.A N CYS 82.A O no hydrogen 3.082 N/A THR 87.A N THR 83.A O no hydrogen 2.994 N/A THR 87.A OG1 THR 83.A O no hydrogen 3.378 N/A SER 88.A N ARG 84.A O no hydrogen 2.955 N/A SER 88.A OG TYR 65.A OH no hydrogen 2.855 N/A SER 88.A OG ARG 84.A O no hydrogen 3.045 N/A ARG 89.A N GLU 85.A O no hydrogen 3.130 N/A ASN 90.A N GLU 86.A O no hydrogen 3.135 N/A ASN 90.A ND2 CYS 98.A O no hydrogen 2.627 N/A MET 91.A N SER 88.A O no hydrogen 3.027 N/A LEU 92.A N ARG 89.A O no hydrogen 3.056 N/A GLU 93.A N ASN 90.A O no hydrogen 3.265 N/A THR 97.A N THR 95.A OG1 no hydrogen 3.090 N/A THR 97.A OG1 THR 95.A OG1 no hydrogen 3.074 N/A ASP 100.A N THR 97.A O no hydrogen 3.331 N/A GLN 103.A N PHE 99.A O no hydrogen 2.970 N/A GLN 103.A NE2 TRP 42.A O no hydrogen 3.094 N/A GLN 103.A NE2 GLU 46.A OE1 no hydrogen 2.778 N/A LYS 104.A N ASP 100.A O no hydrogen 3.242 N/A LYS 104.A NZ GLU 101.A O no hydrogen 2.991 N/A LYS 104.A NZ GLU 101.A OE1 no hydrogen 2.582 N/A LYS 105.A N GLU 101.A O no hydrogen 2.977 N/A LYS 105.A NZ ASP 80.A OD1 no hydrogen 3.245 N/A ILE 106.A N ALA 102.A O no hydrogen 3.025 N/A PHE 107.A N GLN 103.A O no hydrogen 3.044 N/A ASN 108.A N LYS 104.A O no hydrogen 3.099 N/A LEU 109.A N LYS 105.A O no hydrogen 2.907 N/A MET 110.A N ILE 106.A O no hydrogen 3.021 N/A GLU 111.A N PHE 107.A O no hydrogen 2.973 N/A GLU 111.A N ASN 108.A O no hydrogen 3.283 N/A LYS 112.A N ASN 108.A O no hydrogen 3.171 N/A ASP 113.A N LEU 109.A O no hydrogen 3.134 N/A TYR 115.A N MET 110.A O no hydrogen 2.667 N/A TYR 115.A OH TRP 9.A O no hydrogen 2.587 N/A ARG 116.A N ASP 113.A O no hydrogen 3.200 N/A ARG 117.A NE GLU 33.A OE2 no hydrogen 2.644 N/A ARG 117.A NH1 ASP 113.A OD1 no hydrogen 2.679 N/A ARG 117.A NH2 GLU 33.A OE1 no hydrogen 2.789 N/A ARG 117.A NH2 ASP 113.A OD1 no hydrogen 3.333 N/A ARG 117.A NH2 ASP 113.A OD2 no hydrogen 3.230 N/A PHE 118.A N SER 114.A O no hydrogen 2.865 N/A LEU 119.A N TYR 115.A O no hydrogen 3.167 N/A LYS 120.A N ARG 117.A O no hydrogen 3.422 N/A SER 121.A N PHE 118.A O no hydrogen 2.878 N/A SER 121.A OG PHE 118.A O no hydrogen 2.835 N/A TYR 124.A OH VAL 6.A O no hydrogen 2.980 N/A LEU 125.A N SER 121.A O no hydrogen 3.021 N/A ASP 126.A N ARG 122.A O no hydrogen 2.548 N/A LEU 127.A N TYR 124.A O no hydrogen 2.969 N/A THR 128.A N LEU 125.A O no hydrogen 3.157 N/A