Correlation of TrpGly and GlyTrp Rotamer Structure with W7 and W10 UV Resonance Raman Modes and Fluorescence Emission Shifts

<table>Molecular structures with dihedral angles, <svg height="20.5625" id="M9" style="vertical-align:-3.7947pt" version="1.1" viewbox="0 0 98.287498 20.5625" width="98.287498" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
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<g transform="matrix(.012,-0,0,-.012,36.863,7.613)"><use xlink:href="#x32"></use></g>
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<g transform="matrix(.017,-0,0,-.017,71.325,15.775)"><use xlink:href="#x2C"></use></g><g transform="matrix(.017,-0,0,-.017,81.983,15.775)"><path d="M559 271q0 -109 -83 -187t-189 -89l-36 -213q-16 -30 -86 -43l-7 9q10 36 53 242q-91 11 -139.5 63.5t-48.5 132.5q0 186 242 271l11 -28q-76 -34 -119.5 -91.5t-43.5 -136.5q0 -66 29 -108.5t77 -55.5q39 205 56 260q21 71 65 111t93 40q50 0 88 -45.5t38 -131.5z
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</svg>, and <svg height="20.275" id="M10" style="vertical-align:-3.56265pt" version="1.1" viewbox="0 0 17.575001 20.275" width="17.575001" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,15.775)"><path d="M642 419q-50 -36 -71 -94q-28 -78 -68 -170q-39 -89 -114 -135q-34 -21 -83 -31l-45 -219l-31 -31q-8 7 -15 29.5t-2 45.5l35 172q-153 10 -153 169q0 28 6 84q7 68 7 88q0 48 -27 48q-18 0 -51 -28l-7 26q62 75 118 75q49 0 49 -90q0 -47 -5 -81q-10 -72 -10 -108
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<g transform="matrix(.012,-0,0,-.012,11.175,7.613)"><path d="M412 140l28 -9q0 -2 -35 -131h-373v23q112 112 161 170q59 70 92 127t33 115q0 63 -31 98t-86 35q-75 0 -137 -93l-22 20l57 81q55 59 135 59q69 0 118.5 -46.5t49.5 -122.5q0 -62 -29.5 -114t-102.5 -130l-141 -149h186q42 0 58.5 10.5t38.5 56.5z" id="x32"></path></g>
</svg>, defined for GlyTrp, left, and TrpGly, right. The indole ring atoms are enumerated on the TrpGly structure for reference.</table>

Journal of Amino Acids

fig2

Figure 2

Figure 2: Correlation of TrpGly and GlyTrp Rotamer Structure with W7 and W10 UV Resonance Raman Modes and Fluorescence Emission Shifts 