Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1roa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N TYR 44.A O no hydrogen 2.833 N/A THR 6.A N ALA 42.A O no hydrogen 2.963 N/A THR 6.A OG1 ASP 7.A O no hydrogen 3.538 N/A VAL 13.A N ASP 10.A OD1 no hydrogen 3.049 N/A GLN 14.A N ASP 10.A O no hydrogen 2.789 N/A ARG 15.A N LYS 11.A O no hydrogen 3.081 N/A ALA 16.A N SER 12.A O no hydrogen 3.041 N/A LEU 17.A N VAL 13.A O no hydrogen 3.022 N/A ASP 18.A N GLN 14.A O no hydrogen 2.815 N/A PHE 19.A N ARG 15.A O no hydrogen 3.087 N/A ALA 20.A N ALA 16.A O no hydrogen 3.109 N/A ILE 21.A N LEU 17.A O no hydrogen 2.904 N/A SER 22.A N ASP 18.A O no hydrogen 2.940 N/A SER 22.A OG.B ASP 18.A O no hydrogen 2.927 N/A GLU 23.A N PHE 19.A O no hydrogen 2.963 N/A TYR 24.A N ALA 20.A O no hydrogen 2.830 N/A TYR 24.A OH GLU 86.A OE1 no hydrogen 2.436 N/A ASN 25.A N ILE 21.A O no hydrogen 3.007 N/A ASN 25.A ND2 ILE 21.A O no hydrogen 2.972 N/A ASN 25.A ND2 SER 35.A O no hydrogen 2.847 N/A LYS 26.A N SER 22.A O no hydrogen 2.870 N/A VAL 27.A N GLU 23.A O no hydrogen 2.759 N/A ILE 28.A N GLU 23.A O no hydrogen 3.282 N/A ASN 29.A N TYR 24.A O no hydrogen 2.684 N/A LYS 30.A NZ VAL 27.A O no hydrogen 2.994 N/A TYR 33.A N ASP 31.A OD2 no hydrogen 2.951 N/A TYR 34.A N CYS 64.A O no hydrogen 2.796 N/A TYR 34.A OH ASP 72.A OD1 no hydrogen 3.425 N/A SER 35.A N ASN 25.A OD1 no hydrogen 2.850 N/A SER 35.A OG GLY 60.A O no hydrogen 3.527 N/A ARG 36.A N GLY 60.A O no hydrogen 3.143 N/A ARG 36.A NE CYS 74.A O no hydrogen 2.733 N/A ARG 36.A NH2 CYS 74.A O no hydrogen 2.881 N/A LEU 38.A N LYS 58.A O no hydrogen 2.682 N/A GLN 39.A N LYS 58.A O no hydrogen 3.411 N/A MET 41.A N ASN 56.A O no hydrogen 2.947 N/A ALA 43.A N TYR 54.A O no hydrogen 2.966 N/A TYR 44.A N HIS 4.A O no hydrogen 2.812 N/A GLN 45.A N ASN 52.A O no hydrogen 2.837 N/A GLN 45.A NE2 GLY 1.A O no hydrogen 2.685 N/A ILE 47.A N GLY 50.A O no hydrogen 2.992 N/A GLY 50.A N ILE 47.A O no hydrogen 3.180 N/A VAL 51.A N GLU 94.A O no hydrogen 2.858 N/A ASN 52.A N GLN 45.A O no hydrogen 2.804 N/A ASN 52.A ND2 GLN 45.A OE1 no hydrogen 3.266 N/A TYR 53.A N ILE 92.A O no hydrogen 2.645 N/A TYR 53.A OH GLU 94.A OE1 no hydrogen 2.854 N/A TYR 54.A N ALA 43.A O no hydrogen 2.808 N/A TYR 54.A OH GLN 45.A OE1 no hydrogen 2.630 N/A PHE 55.A N PHE 90.A O no hydrogen 2.903 N/A ASN 56.A N MET 41.A O no hydrogen 2.963 N/A VAL 57.A N CYS 88.A O no hydrogen 2.649 N/A LYS 58.A N GLN 39.A O no hydrogen 3.075 N/A PHE 59.A N GLU 86.A O no hydrogen 2.722 N/A GLY 60.A N ARG 36.A O no hydrogen 3.037 N/A ARG 61.A N LYS 83.A O no hydrogen 3.029 N/A ARG 61.A NE ASP 31.A OD2 no hydrogen 3.134 N/A ARG 61.A NH1 LEU 82.A O no hydrogen 2.840 N/A ARG 61.A NH2 ASP 31.A OD1 no hydrogen 2.716 N/A ARG 61.A NH2 ASP 31.A OD2 no hydrogen 3.443 N/A THR 62.A N TYR 34.A O no hydrogen 2.829 N/A THR 62.A OG1 TYR 34.A O no hydrogen 2.557 N/A THR 62.A OG1 CYS 64.A O no hydrogen 3.541 N/A THR 63.A N PRO 75.A O no hydrogen 2.948 N/A THR 63.A OG1 PRO 75.A O no hydrogen 3.477 N/A CYS 64.A N THR 62.A OG1 no hydrogen 3.267 N/A CYS 64.A SG ASN 70.A O no hydrogen 4.043 N/A THR 65.A N GLN 68.A OE1 no hydrogen 3.008 N/A THR 65.A OG1 SER 67.A OG no hydrogen 3.337 N/A THR 65.A OG1 GLN 68.A OE1 no hydrogen 3.417 N/A LYS 66.A N GLU 32.A O no hydrogen 3.031 N/A LYS 66.A NZ ASN 25.A O no hydrogen 2.762 N/A LYS 66.A NZ ASP 31.A O no hydrogen 2.928 N/A SER 67.A OG THR 65.A OG1 no hydrogen 3.337 N/A GLN 68.A N THR 65.A O no hydrogen 3.270 N/A GLN 68.A NE2 ASN 70.A O no hydrogen 3.631 N/A ASN 73.A N LEU 71.A O no hydrogen 2.672 N/A CYS 74.A SG ASN 70.A O no hydrogen 3.755 N/A ASN 77.A N ARG 61.A O no hydrogen 2.802 N/A GLN 79.A N ASN 77.A OD1 no hydrogen 2.744 N/A GLN 79.A NE2 ASP 78.A OD1 no hydrogen 2.815 N/A LEU 82.A N GLN 79.A O no hydrogen 3.138 N/A GLU 86.A N PHE 59.A O no hydrogen 3.038 N/A PHE 87.A N ARG 109.A O no hydrogen 2.854 N/A CYS 88.A N VAL 57.A O no hydrogen 2.717 N/A SER 89.A N LYS 107.A O no hydrogen 2.903 N/A SER 89.A OG LYS 107.A O no hydrogen 3.528 N/A PHE 90.A N PHE 55.A O no hydrogen 2.702 N/A GLN 91.A N ASN 105.A O no hydrogen 2.988 N/A ILE 92.A N TYR 53.A O no hydrogen 2.785 N/A ASN 93.A N SER 102.A O no hydrogen 2.858 N/A GLU 94.A N VAL 51.A O no hydrogen 2.862 N/A VAL 95.A N LYS 100.A O no hydrogen 2.855 N/A GLU 98.A N VAL 95.A O no hydrogen 2.992 N/A SER 102.A N ASN 93.A O no hydrogen 2.788 N/A LEU 104.A N GLN 91.A O no hydrogen 2.780 N/A ASN 105.A N GLN 91.A O no hydrogen 3.417 N/A LYS 107.A N SER 89.A O no hydrogen 3.042 N/A ARG 109.A N PHE 87.A O no hydrogen 2.875 N/A VAL 111.A N GLU 85.A O no hydrogen 2.970 N/A