NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype

511021 2ktl 16832 cing 1-original 5 XPLOR/CNS distance hydrogen bond simple
#hbond

{parallel strands}       
{link b1-b5}       
{a301}       
assign (resid 583 and name o) (resid 491 and name hn) 3.15 0.02 0.02
assign (resid 583 and name c) (resid 491 and name  n) 4.85 0.02 0.02
assign (resid 583 and name o) (resid 491 and name  n) 3.54 0.02 0.02
assign (resid 583 and name c) (resid 491 and name hn) 4.18 0.02 0.02

assign (resid 491 and name o) (resid 585 and name hn) 2.15 0.02 0.02
assign (resid 491 and name c) (resid 585 and name  n) 4.35 0.02 0.02
assign (resid 491 and name o) (resid 585 and name  n) 3.14 0.02 0.02
assign (resid 491 and name c) (resid 585 and name hn) 3.38 0.02 0.02


{V303}
assign (resid 585 and name o) (resid 493 and name hn) 2.15 0.02 0.02
assign (resid 585 and name c) (resid 493 and name  n) 4.35 0.02 0.02
assign (resid 585 and name o) (resid 493 and name  n) 3.14 0.02 0.02
assign (resid 585 and name c) (resid 493 and name hn) 3.38 0.02 0.02

assign (resid 493 and name o) (resid 587 and name hn) 2.15 0.02 0.02
assign (resid 493 and name c) (resid 587 and name  n) 4.35 0.02 0.02
assign (resid 493 and name o) (resid 587 and name  n) 3.14 0.02 0.02
assign (resid 493 and name c) (resid 587 and name hn) 3.38 0.02 0.02


{l305}       
{assign (resid 587 and name o) (resid 495 and name hn) 2.15 0.02 0.02
assign (resid 587 and name c) (resid 495 and name  n) 4.35 0.02 0.02
assign (resid 587 and name o) (resid 495 and name  n) 3.14 0.02 0.02
assign (resid 587 and name c) (resid 495 and name hn) 3.38 0.02 0.02

assign (resid 495 and name o) (resid 588 and name hn) 4.15 0.02 0.02
assign (resid 495 and name c) (resid 588 and name  n) 5.35 0.02 0.02
assign (resid 495 and name o) (resid 588 and name  n) 4.14 0.02 0.02
assign (resid 495 and name c) (resid 588 and name hn) 4.38 0.02 0.02

assign (resid 497 and name o) (resid 589 and name hn) 2.15 0.02 0.02
assign (resid 497 and name c) (resid 589 and name  n) 4.35 0.02 0.02
assign (resid 497 and name o) (resid 589 and name  n) 3.14 0.02 0.02
assign (resid 497 and name c) (resid 589 and name hn) 3.38 0.02 0.02

assign (resid 587 and name o) (resid 498 and name hn) 3.15 0.02 0.02
assign (resid 587 and name c) (resid 498 and name  n) 4.35 0.02 0.02
assign (resid 587 and name o) (resid 498 and name  n) 4.14 0.02 0.02
assign (resid 587 and name c) (resid 498 and name hn) 3.38 0.02 0.02}

assign (resid 491 and name hn)   (resid 584 and name ha)   3.90 0.10 0.10
assign (resid 585 and name hn)   (resid 492 and name ha)   2.90 0.10 0.10
assign (resid 493 and name hn)   (resid 586 and name ha)   2.90 0.10 0.10
assign (resid 587 and name hn)   (resid 494 and name ha)   2.90 0.10 0.10
assign (resid 495 and name hn)   (resid 588 and name ha)   3.90 0.10 0.10
assign (resid 589 and name hn)   (resid 496 and name ha)   3.90 0.10 0.10



{anti-parallel strands} 

{Link b2-b3}
{Y341}  

{assign (resid 530 and name o) (resid 555 and name hn) 2.15 0.02 0.02
assign (resid 530 and name c) (resid 555 and name  n) 4.35 0.02 0.02
assign (resid 530 and name o) (resid 555 and name  n) 3.14 0.02 0.02
assign (resid 530 and name c) (resid 555 and name hn) 3.38 0.02 0.02}
     
assign (resid 532 and name o) (resid 553 and name hn) 3.15 0.02 0.02
assign (resid 532 and name c) (resid 553 and name  n) 4.35 0.02 0.02
assign (resid 532 and name o) (resid 553 and name  n) 3.14 0.02 0.02
assign (resid 532 and name c) (resid 553 and name hn) 4.38 0.02 0.02

assign (resid 553 and name o) (resid 532 and name hn) 4.15 0.02 0.02
assign (resid 553 and name c) (resid 532 and name  n) 4.35 0.02 0.02
assign (resid 553 and name o) (resid 532 and name  n) 5.14 0.02 0.02
assign (resid 553 and name c) (resid 532 and name hn) 3.38 0.02 0.02

assign (resid 534 and name o) (resid 551 and name hn) 4.15 0.02 0.02
assign (resid 534 and name c) (resid 551 and name  n) 4.35 0.02 0.02
assign (resid 534 and name o) (resid 551 and name  n) 3.14 0.02 0.02
assign (resid 534 and name c) (resid 551 and name hn) 4.38 0.02 0.02

assign (resid 551 and name o) (resid 534 and name hn) 4.15 0.02 0.02
assign (resid 551 and name c) (resid 534 and name  n) 4.35 0.02 0.02
assign (resid 551 and name o) (resid 534 and name  n) 5.14 0.02 0.02
assign (resid 551 and name c) (resid 534 and name hn) 3.38 0.02 0.02

assign (resid 531 and name ha )   (resid 554 and name ha)   4.50 0.10 0.10
assign (resid 533 and name ha )   (resid 552 and name ha)   3.10 0.10 0.10

     
{link b3-b4}       
{G339}       
{assign (resid 529 and name o) (resid 579 and name hn) 3.15 0.02 0.02
assign (resid 529 and name c) (resid 579 and name  n) 4.35 0.02 0.02
assign (resid 529 and name o) (resid 579 and name  n) 3.14 0.02 0.02
assign (resid 529 and name c) (resid 579 and name hn) 3.38 0.02 0.02

assign (resid 579 and name o) (resid 529 and name hn) 3.15 0.02 0.02
assign (resid 579 and name c) (resid 529 and name  n) 4.35 0.02 0.02
assign (resid 579 and name o) (resid 529 and name  n) 4.14 0.02 0.02
assign (resid 579 and name c) (resid 529 and name hn) 3.38 0.02 0.02}

{Y341}       
assign (resid 531 and name o) (resid 577 and name hn) 2.15 0.02 0.02
assign (resid 531 and name c) (resid 577 and name  n) 4.35 0.02 0.02
assign (resid 531 and name o) (resid 577 and name  n) 3.14 0.02 0.02
assign (resid 531 and name c) (resid 577 and name hn) 3.38 0.02 0.02

assign (resid 577 and name o) (resid 531 and name hn) 2.15 0.02 0.02
assign (resid 577 and name c) (resid 531 and name  n) 4.35 0.02 0.02
assign (resid 577 and name o) (resid 531 and name  n) 3.14 0.02 0.02
assign (resid 577 and name c) (resid 531 and name hn) 3.38 0.02 0.02

{G343}       
assign (resid 533 and name o) (resid 575 and name hn) 2.15 0.02 0.02
assign (resid 533 and name c) (resid 575 and name  n) 4.35 0.02 0.02
assign (resid 533 and name o) (resid 575 and name  n) 3.14 0.02 0.02
assign (resid 533 and name c) (resid 575 and name hn) 3.38 0.02 0.02

assign (resid 575 and name o) (resid 533 and name hn) 2.15 0.02 0.02
assign (resid 575 and name c) (resid 533 and name  n) 4.35 0.02 0.02
assign (resid 575 and name o) (resid 533 and name  n) 3.14 0.02 0.02
assign (resid 575 and name c) (resid 533 and name hn) 3.38 0.02 0.02

{R345}       
assign (resid 535 and name o) (resid 573 and name hn) 4.15 0.02 0.02
assign (resid 535 and name c) (resid 573 and name  n) 4.35 0.02 0.02
assign (resid 535 and name o) (resid 573 and name  n) 4.14 0.02 0.02
assign (resid 535 and name c) (resid 573 and name hn) 4.38 0.02 0.02

assign (resid 573 and name o) (resid 535 and name hn) 3.15 0.02 0.02
assign (resid 573 and name c) (resid 535 and name  n) 4.35 0.02 0.02
assign (resid 573 and name o) (resid 535 and name  n) 4.14 0.02 0.02
assign (resid 573 and name c) (resid 535 and name hn) 3.38 0.02 0.02

assign (resid 530 and name ha) (resid 578 and name ha) 2.10 2.10 0.0
assign (resid 532 and name ha) (resid 576 and name ha) 2.70 2.10 0.0
assign (resid 534 and name ha) (resid 574 and name ha) 2.70 2.10 0.0


{link strands b4-b5}       
{K387}       
assign (resid 578 and name o) (resid 582 and name hn) 3.15 0.02 0.02
assign (resid 578 and name c) (resid 582 and name  n) 4.35 0.02 0.02
assign (resid 578 and name o) (resid 582 and name  n) 3.14 0.02 0.02
assign (resid 578 and name c) (resid 582 and name hn) 4.38 0.02 0.02

assign (resid 582 and name o) (resid 578 and name hn) 2.15 0.02 0.02
assign (resid 582 and name c) (resid 578 and name  n) 4.35 0.02 0.02
assign (resid 582 and name o) (resid 578 and name  n) 3.14 0.02 0.02
assign (resid 582 and name c) (resid 578 and name hn) 3.38 0.02 0.02

{T385}       
assign (resid 576 and name o) (resid 584 and name hn) 2.15 0.02 0.02
assign (resid 576 and name c) (resid 584 and name  n) 4.35 0.02 0.02
assign (resid 576 and name o) (resid 584 and name  n) 3.14 0.02 0.02
assign (resid 576 and name c) (resid 584 and name hn) 3.38 0.02 0.02

assign (resid 584 and name o) (resid 576 and name hn) 2.15 0.02 0.02
assign (resid 584 and name c) (resid 576 and name  n) 4.35 0.02 0.02
assign (resid 584 and name o) (resid 576 and name  n) 3.14 0.02 0.02
assign (resid 584 and name c) (resid 576 and name hn) 3.38 0.02 0.02

{I383}       
assign (resid 574 and name o) (resid 586 and name hn) 2.15 0.02 0.02
assign (resid 574 and name c) (resid 586 and name  n) 4.35 0.02 0.02
assign (resid 574 and name o) (resid 586 and name  n) 3.14 0.02 0.02
assign (resid 574 and name c) (resid 586 and name hn) 3.38 0.02 0.02

assign (resid 586 and name o) (resid 574 and name hn) 2.15 0.02 0.02
assign (resid 586 and name c) (resid 574 and name  n) 4.35 0.02 0.02
assign (resid 586 and name o) (resid 574 and name  n) 3.14 0.02 0.02
assign (resid 586 and name c) (resid 574 and name hn) 3.38 0.02 0.02

{F381}       
{assign (resid 572 and name o) (resid 588 and name hn) 2.15 0.02 0.02
assign (resid 572 and name c) (resid 588 and name  n) 4.35 0.02 0.02
assign (resid 572 and name o) (resid 588 and name  n) 3.14 0.02 0.02
assign (resid 572 and name c) (resid 588 and name hn) 3.38 0.02 0.02

assign (resid 588 and name o) (resid 572 and name hn) 2.15 0.02 0.02
assign (resid 588 and name c) (resid 572 and name n) 4.35 0.02 0.02
assign (resid 588 and name o) (resid 572 and name n) 3.14 0.02 0.02
assign (resid 588 and name c) (resid 572 and name hn) 3.38 0.02 0.02}

{assign (resid 579 and name ha )   (resid 581 and name ha)   2.10 0.10 0.10}
assign (resid 577 and name ha )   (resid 583 and name ha)   2.10 0.10 0.10
assign (resid 575 and name ha )   (resid 585 and name ha)   2.10 0.10 0.10
assign (resid 573 and name ha )   (resid 587 and name ha)   2.50 0.10 0.10



{helix 1}       

assign (resid 505 and name o) (resid 509 and name hn) 2.15 0.02 0.02
assign (resid 505 and name c) (resid 509 and name  n) 4.35 0.02 0.02
assign (resid 505 and name o) (resid 509 and name  n) 3.14 0.02 0.02
assign (resid 505 and name c) (resid 509 and name hn) 3.38 0.02 0.02

assign (resid 506 and name o) (resid 510 and name hn) 2.15 0.02 0.02
assign (resid 506 and name c) (resid 510 and name  n) 4.35 0.02 0.02
assign (resid 506 and name o) (resid 510 and name  n) 3.14 0.02 0.02
assign (resid 506 and name c) (resid 510 and name hn) 3.38 0.02 0.02

assign (resid 507 and name o) (resid 511 and name hn) 2.15 0.02 0.02
assign (resid 507 and name c) (resid 511 and name  n) 4.35 0.02 0.02
assign (resid 507 and name o) (resid 511 and name  n) 3.14 0.02 0.02
assign (resid 507 and name c) (resid 511 and name hn) 3.38 0.02 0.02

assign (resid 508 and name o) (resid 512 and name hn) 2.15 0.02 0.02
assign (resid 508 and name c) (resid 512 and name  n) 4.35 0.02 0.02
assign (resid 508 and name o) (resid 512 and name  n) 3.14 0.02 0.02
assign (resid 508 and name c) (resid 512 and name hn) 3.38 0.02 0.02

{assign (resid 509 and name o) (resid 513 and name hn) 2.15 0.02 0.02
assign (resid 509 and name c) (resid 513 and name  n) 4.35 0.02 0.02
assign (resid 509 and name o) (resid 513 and name  n) 3.14 0.02 0.02
assign (resid 509 and name c) (resid 513 and name hn) 3.38 0.02 0.02}

{helix 2}

{assign (resid 518 and name o) (resid 522 and name hn) 2.15 0.02 0.02
assign (resid 518 and name c) (resid 522 and name  n) 4.35 0.02 0.02
assign (resid 518 and name o) (resid 522 and name  n) 3.14 0.02 0.02
assign (resid 518 and name c) (resid 522 and name hn) 3.38 0.02 0.02}

assign (resid 519 and name o) (resid 523 and name hn) 2.15 0.02 0.02
assign (resid 519 and name c) (resid 523 and name  n) 4.35 0.02 0.02
assign (resid 519 and name o) (resid 523 and name  n) 3.14 0.02 0.02
assign (resid 519 and name c) (resid 523 and name hn) 3.38 0.02 0.02
       
assign (resid 520 and name o) (resid 524 and name hn) 2.15 0.02 0.02
assign (resid 520 and name c) (resid 524 and name  n) 4.35 0.02 0.02
assign (resid 520 and name o) (resid 524 and name  n) 3.14 1.02 0.02
assign (resid 520 and name c) (resid 524 and name hn) 3.38 0.02 0.02

assign (resid 521 and name o) (resid 525 and name hn) 2.15 0.02 0.02
assign (resid 521 and name c) (resid 525 and name  n) 4.35 0.02 0.02
assign (resid 521 and name o) (resid 525 and name  n) 3.14 0.02 0.02
assign (resid 521 and name c) (resid 525 and name hn) 3.38 0.02 0.02

{assign (resid 522 and name o) (resid 526 and name hn) 2.15 0.02 0.02
assign (resid 522 and name c) (resid 526 and name  n) 4.35 0.02 0.02
assign (resid 522 and name o) (resid 526 and name  n) 3.14 0.02 0.02
assign (resid 522 and name c) (resid 526 and name hn) 3.38 0.02 0.02

assign (resid 523 and name o) (resid 527 and name hn) 2.15 0.02 0.02
assign (resid 523 and name c) (resid 527 and name  n) 4.35 0.02 0.02
assign (resid 523 and name o) (resid 527 and name  n) 3.14 0.02 0.02
assign (resid 523 and name c) (resid 527 and name hn) 3.38 0.02 0.02

assign (resid 524 and name o) (resid 528 and name hn) 2.15 0.02 0.02
assign (resid 524 and name c) (resid 528 and name  n) 4.35 0.02 0.02
assign (resid 524 and name o) (resid 528 and name  n) 3.14 0.02 0.02
assign (resid 524 and name c) (resid 528 and name hn) 3.38 0.02 0.02}

{helix 3}

{assign (resid 560 and name o) (resid 564 and name hn) 2.15 0.02 0.02
assign (resid 560 and name c) (resid 564 and name  n) 4.35 0.02 0.02
assign (resid 560 and name o) (resid 564 and name  n) 3.14 0.02 0.02
assign (resid 560 and name c) (resid 564 and name hn) 3.38 0.02 0.02}

assign (resid 561 and name o) (resid 565 and name hn) 2.15 0.02 0.02
assign (resid 561 and name c) (resid 565 and name  n) 4.35 0.02 0.02
assign (resid 561 and name o) (resid 565 and name  n) 3.14 0.02 0.02
assign (resid 561 and name c) (resid 565 and name hn) 3.38 0.02 0.02

assign (resid 562 and name o) (resid 566 and name hn) 2.15 0.02 0.02
assign (resid 562 and name c) (resid 566 and name  n) 4.35 0.02 0.02
assign (resid 562 and name o) (resid 566 and name  n) 3.14 0.02 0.02
assign (resid 562 and name c) (resid 566 and name hn) 3.38 0.02 0.02

assign (resid 563 and name o) (resid 567 and name hn) 2.15 0.02 0.02
assign (resid 563 and name c) (resid 567 and name  n) 4.35 0.02 0.02
assign (resid 563 and name o) (resid 567 and name  n) 3.14 0.02 0.02
assign (resid 563 and name c) (resid 567 and name hn) 3.38 0.02 0.02

{assign (resid 564 and name o) (resid 568 and name hn) 2.15 0.02 0.02
assign (resid 564 and name c) (resid 568 and name n) 4.35 0.02 0.02
assign (resid 564 and name o) (resid 568 and name n) 3.14 0.02 0.02
assign (resid 564 and name c) (resid 568 and name hn) 3.38 0.02 0.02

assign (resid 565 and name o) (resid 569 and name hn) 2.15 0.02 0.02
assign (resid 565 and name c) (resid 569 and name  n) 4.35 0.02 0.02
assign (resid 565 and name o) (resid 569 and name  n) 3.14 0.02 0.02
assign (resid 565 and name c) (resid 569 and name hn) 3.38 0.02 0.02

assign (resid 566 and name o) (resid 570 and name hn) 2.15 0.02 0.02
assign (resid 566 and name c) (resid 570 and name  n) 4.35 0.02 0.02
assign (resid 566 and name o) (resid 570 and name  n) 3.14 0.02 0.02
assign (resid 566 and name c) (resid 570 and name hn) 3.38 0.02 0.02}

{helix 4}    

assign (resid 590 and name o) (resid 594 and name hn)   2.15 0.02 0.02
assign (resid 590 and name c) (resid 594 and name  n)   4.35 0.02 0.02
assign (resid 590 and name o) (resid 594 and name  n)   3.14 0.02 0.02
assign (resid 590 and name c) (resid 594 and name hn)   3.38 0.02 0.02

assign (resid 591 and name o) (resid 595 and name hn)   2.15 0.02 0.02
assign (resid 591 and name c) (resid 595 and name  n)   4.35 0.02 0.02
assign (resid 591 and name o) (resid 595 and name  n)   3.14 0.02 0.02
assign (resid 591 and name c) (resid 595 and name hn)   3.38 0.02 0.02   

assign (resid 592 and name o) (resid 596 and name hn) 2.15 0.02 0.02
assign (resid 592 and name c) (resid 596 and name  n) 4.35 0.02 0.02
assign (resid 592 and name o) (resid 596 and name  n) 3.14 0.02 0.02
assign (resid 592 and name c) (resid 596 and name hn) 3.38 0.02 0.02

assign (resid 593 and name o) (resid 597 and name hn) 2.15 0.02 0.02
assign (resid 593 and name c) (resid 597 and name  n) 4.35 0.02 0.02
assign (resid 593 and name o) (resid 597 and name  n) 3.14 0.02 0.02
assign (resid 593 and name c) (resid 597 and name hn) 3.38 0.02 0.02

assign (resid 594 and name o) (resid 598 and name hn) 2.15 0.02 0.02
assign (resid 594 and name c) (resid 598 and name  n) 4.35 0.02 0.02
assign (resid 594 and name o) (resid 598 and name  n) 3.14 0.02 0.02
assign (resid 594 and name c) (resid 598 and name hn) 3.38 0.02 0.02

{helix 5}       

assign (resid 603 and name o) (resid 607 and name hn) 2.15 0.02 0.02
assign (resid 603 and name c) (resid 607 and name  n) 4.35 0.02 0.02
assign (resid 603 and name o) (resid 607 and name  n) 3.14 0.02 0.02
assign (resid 603 and name c) (resid 607 and name hn) 3.38 0.02 0.02

assign (resid 604 and name o) (resid 608 and name hn) 2.15 0.02 0.02
assign (resid 604 and name c) (resid 608 and name  n) 4.35 0.02 0.02
assign (resid 604 and name o) (resid 608 and name  n) 3.14 0.02 0.02
assign (resid 604 and name c) (resid 608 and name hn) 3.38 0.02 0.02

assign (resid 605 and name o) (resid 609 and name hn) 2.15 0.02 0.02
assign (resid 605 and name c) (resid 609 and name  n) 4.35 0.02 0.02
assign (resid 605 and name o) (resid 609 and name  n) 3.14 0.02 0.02
assign (resid 605 and name c) (resid 609 and name hn) 3.38 0.02 0.02

assign (resid 606 and name o) (resid 610 and name hn) 2.15 0.02 0.02
assign (resid 606 and name c) (resid 610 and name  n) 4.35 0.02 0.02
assign (resid 606 and name o) (resid 610 and name  n) 3.14 0.02 0.02
assign (resid 606 and name c) (resid 610 and name hn) 3.38 0.02 0.02
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	511021	2ktl	16832	cing	1-original	5	XPLOR/CNS	distance	hydrogen bond	simple