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From: Guillaume Bollot <Guillaume.Bollot.chiorg.unige.ch>

Date: Fri, 07 Jul 2006 11:38:08 +0200

Hello,

I have a problem with a predicted pKa value for lysine residue (it's the

for the tyrosine) after constant pH (5.0) simulation.

This is my calcpKa.pl log file :

LYS 137: Offset Inf Pred Inf Frac Prot 1.000 Transitions 2

GL4 160: Offset 2.201 Pred 7.201 Frac Prot 0.994 Transitions 3

LYS 161: Offset Inf Pred Inf Frac Prot 1.000 Transitions 0

GL4 164: Offset 0.210 Pred 5.210 Frac Prot 0.618 Transitions 43

GL4 168: Offset 1.456 Pred 6.456 Frac Prot 0.966 Transitions 1

LYS 172: Offset Inf Pred Inf Frac Prot 1.000 Transitions 0

AS4 174: Offset 1.535 Pred 6.535 Frac Prot 0.972 Transitions 13

TYR 176: Offset Inf Pred Inf Frac Prot 1.000 Transitions 0

what is INF or -INF values? is it normal?

Thank you very much in advance.

BOLLOT Guillaume

Organic Chemistry Department

University of Geneva

30, quai Ernest-Ansermet

CH-1211 Geneva 4

tel. +41-22 379 6155

e-mail: Guillaume.Bollot.chiorg.unige.ch

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Received on Sun Jul 09 2006 - 06:07:19 PDT

Date: Fri, 07 Jul 2006 11:38:08 +0200

Hello,

I have a problem with a predicted pKa value for lysine residue (it's the

for the tyrosine) after constant pH (5.0) simulation.

This is my calcpKa.pl log file :

LYS 137: Offset Inf Pred Inf Frac Prot 1.000 Transitions 2

GL4 160: Offset 2.201 Pred 7.201 Frac Prot 0.994 Transitions 3

LYS 161: Offset Inf Pred Inf Frac Prot 1.000 Transitions 0

GL4 164: Offset 0.210 Pred 5.210 Frac Prot 0.618 Transitions 43

GL4 168: Offset 1.456 Pred 6.456 Frac Prot 0.966 Transitions 1

LYS 172: Offset Inf Pred Inf Frac Prot 1.000 Transitions 0

AS4 174: Offset 1.535 Pred 6.535 Frac Prot 0.972 Transitions 13

TYR 176: Offset Inf Pred Inf Frac Prot 1.000 Transitions 0

what is INF or -INF values? is it normal?

Thank you very much in advance.

BOLLOT Guillaume

Organic Chemistry Department

University of Geneva

30, quai Ernest-Ansermet

CH-1211 Geneva 4

tel. +41-22 379 6155

e-mail: Guillaume.Bollot.chiorg.unige.ch

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Received on Sun Jul 09 2006 - 06:07:19 PDT

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