Elementary interactions: Van der Waals & H-bonds

Сентябрь 14, 2022

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Elementary interactions: Van der Waals & H-bonds

Содержание

3. Johannes Diderik van der Waals (1837 – 1923) — Nobel Prize 1910 Fritz Wolfgang London (1900
4. “London part”, precise approx. The simplest form
5. In vacuum
6. Main-chain: φ (N-Cα) , ψ (Cα-C’)
7. ω = 180ο ω = 0ο 2.8A strong repulsion
8. s t r o n g r e p u l s i o n weak
9. GLY
10. ALA Gopalasamudram Narayana Iyer Ramachandran(1922-2001)
11. >ALA: γ-atoms
12. PRO (φ = -70o) Before PRO
13. ALA, etc. GLY only
14. WATER molecule: HYDROGEN BONDS H-bond energy: 5 kcal/mol ICE sublimation: (12 kcal/mol - 2 kcal/mol[vdW])/2 10
15. WATER molecule: HYDROGEN BONDS H-bond energy: 5 kcal/mol ICE sublimation: (12 kcal/mol - 2 kcal/mol[vdW])/2 10
16. WATER molecule: HYDROGEN BONDS H-bond energy: 5 kcal/mol ICE sublimation: (12 kcal/mol - 2 kcal/mol[vdW])/2 10
18. ICE
19. MODEL OF “FORMED” and “BROKEN” H-BONDS IN WATER IS VERY ROUGH O-H O--H ::: O
20. PEPTIDE GROUP ALSO FORMS H-BONDS DONOR ACCEPTOR
22. Скачать презентацию

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Johannes Diderik van der Waals
(1837 – 1923)
— Nobel Prize 1910
Fritz Wolfgang

London
(1900 – 1954)

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“London part”,
precise
approx.
The simplest form

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In vacuum

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Main-chain:
φ (N-Cα) ,
ψ (Cα-C’)

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ω = 180ο ω = 0ο
2.8A < rmin(C…C) = 3.0A
strong

repulsion

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s
t
r
o
n
g
r
e
p
u
l
s
i
o
n
weak
attraction
weak
attraction
r0(N…N)=3.1A

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GLY

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ALA
Gopalasamudram Narayana Iyer Ramachandran(1922-2001)

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>ALA:
γ-atoms

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PRO (φ = -70o)
Before PRO

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ALA, etc. GLY only

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WATER molecule:
HYDROGEN BONDS
H-bond energy: 5 kcal/mol
ICE sublimation: (12 kcal/mol - 2

kcal/mol[vdW])/2
10 kcal/mol[CH3-CH2-OH] - 5 kcal/mol[CH3-O-CH3]

(HO)-1/3-H+1/3 ::::: O-2/3-H2+2/3: ε∙1/3 ∙2/3 ∙ (-1/2-1/4+2∙1/3)
~ 6 kcal/mol

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WATER molecule:
HYDROGEN BONDS
H-bond energy: 5 kcal/mol
ICE sublimation: (12 kcal/mol - 2

kcal/mol[vdW])/2
10 kcal/mol[CH3-CH2-OH] - 5 kcal/mol[CH3-O-CH3]

(HO)-1/3-H+1/3 ::::: O-2/3-H2+2/3: ε∙1/3 ∙2/3 ∙ (-1/2-1/4+2∙1/3)
~ 6 kcal/mol

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WATER molecule:
HYDROGEN BONDS
H-bond energy: 5 kcal/mol
ICE sublimation: (12 kcal/mol - 2

kcal/mol[vdW])/2
10 kcal/mol[CH3-CH2-OH] - 5 kcal/mol[CH3-O-CH3]

(HO)-1/3-H+1/3 ::::: O-2/3-H2+2/3: ε∙1/3 ∙2/3 ∙ (-1/2-1/4+2∙1/3)
~ 6 kcal/mol

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ICE

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MODEL OF “FORMED” and “BROKEN”
H-BONDS IN WATER IS VERY ROUGH
O-H O--H

::: O

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PEPTIDE GROUP
ALSO FORMS
H-BONDS
DONOR
ACCEPTOR