The witches <span>predict that Macbeth will someday become king.</span>
The second choice is a fragment, not a complete sentence.
I believe the correct choice is number one, because if you turn the sentence around, it answers the question of why the crowd is gathered. You may want to confirm on the website chompchomp.com (Grammar Bites).
<span>Both thought that they had committed a moral and necessary act of defiance. </span>
It comes from serving others I believe.