A0A5K4FA78_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FA78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 969 aa.

						>A0A5K4FA78_SCHMA|A0A5K4FA78
MSQPFAHLPYRTDHRKRCFATLSLICDDESLSDAQLKAYQTRLQEYRTFLDAVSRLALCSNVCVTEEAVTIGEHGLLTGESLNALQHAGAISVYNTLQQNNWEFPISEEGEVAIVKAHVPIPDEFLDSEKPIRSDWPAVHISECFVEGERAKLHGSVRPLRTFLPPTIVFRNAADVDEDVPEPEVNIINSGPEGSIEIVQSLKGLSVKKPGKDGKGVKYIPIDEYYFGRQDGNTDYVEEKGDFRFKCAVCQRIFYSNTKLMSHILGHVDEASQACLDTADTTQCSVCNQMFSCAFDLRDHIEKEHTVPPSDSNLISDEAKTNPLVQITSQLLTQQRIDGHDDPVSNFDHVEILAPNFNGTTNTPSCRICGKVAASKLLLAHHLQSTHRQREMPYVCRLCLFRSSMYEDILDHFKKMHDSSNHLLCTYCLRIFTPSDARSNAQPVCMSASGGISTVGLGLGVGQTQVYLQHLRLHQIKHQLRRCPTCRLNFTNKSDYQVHRRLDHKATRDLGTEKPDLRQDSYELECYQTKQHTTQATENFGDHNTSIDSIRIVRPHITSMNAPEAGCAKNLAINFLPENIENLECLECGKRMGDSDHAQYLPCSVCRFATCCRVGFQRHFQKLHVYSNASQSTDLDCGMPMVRQVFFDWCNEYNLPCNDNTSELATVSGDRQDHVVNEITDLTPSDMANFTTVVFTDEMGHVVNVPETEKHSLIEQPNSNDSVTRYMENQIDSRLLYCSHCGTSNLDGNSLARHLVEECGTLTATLHPDLSISFAQTNARQSEASEKHQESDRNGFQSDNPFGTTDQKIIMISSEPSLLPTSATNISDNDVVMMTVDTDQSSSMRLVESQEDQTAILSGTQITTQSDGTTTIDVTDEGGEVVQQFILPDDLQLEEGQTLVMIQGENGQPQLAIVNQADLINDNNSEILVQTDNGEANDILIYTNGLETQVESSGLRGEEEEKENQQFIM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	33.6	Very low	232 Å²	232	164.5 Å²	164.5	100%	1.143	83%	0.832	S	S	*	*				0	84.8	0	-67.1	176.5	164.8	0	0	106.9
2	S	29.3	Very low	33.2	Very low	114 Å²	114	160.4 Å²	160.4	80%	0.797	82%	0.821	S	S	*	*			cis	76.2	77.4	23	-39.2	0	0	0	0	114.6
3	Q	33.5	Very low	33.1	Very low	174 Å²	174	158.4 Å²	158.4	81%	0.813	81%	0.813	S	S	*	*				173.5	140.1	122.4	-98	179.3	-17.6	0	0	112.8
4	P	40.6	Very low	32.7	Very low	112 Å²	112	159.3 Å²	159.3	73%	0.727	81%	0.812	S	S	*	*			trans	-109	144.4	166.7	37.8	-29.1	0	0	0	112.7
5	F	33.1	Very low	32.5	Very low	192 Å²	192	164.8 Å²	164.8	84%	0.842	82%	0.819	S	S	*	*			trans	-167.9	148.5	167.8	-87.9	-71.3	0	0	0	107.4
6	A	36.1	Very low	32.4	Very low	87 Å²	87	165.5 Å²	165.5	72%	0.719	82%	0.815	S	S	*	*			cis	-151.7	158.7	2.4	0	0	0	0	0	111.9
7	H	31.6	Very low	32.1	Very low	186 Å²	186	169.4 Å²	169.4	86%	0.861	82%	0.819	S	S	*	*			trans	-78.5	153.3	167.7	-91.8	-101.1	0	0	0	112.4
8	L	31.2	Very low	32	Very low	163 Å²	163	165.4 Å²	165.4	85%	0.853	81%	0.81	S	S	*	*			trans	-135.3	156.7	152	-95.7	114.2	0	0	0	110.1
9	P	33	Very low	31.8	Very low	105 Å²	105	166.7 Å²	166.7	68%	0.682	81%	0.811	S	S	*	*			trans	-101.5	139.8	-138.9	35.6	-35.2	0	0	0	115.9
10	Y	29.3	Very low	32	Very low	230 Å²	230	161.4 Å²	161.4	90%	0.902	80%	0.796	S	S	*	*			trans	-85.3	107.8	154.2	-146.7	-96	0	0	0	107.1	T12	Y10-T12 PolarHBondContact O-N 2.89Å
11	R	30.4	Very low	32.6	Very low	215 Å²	215	159.7 Å²	159.7	81%	0.811	79%	0.794	S	S	*	*			trans	-89.2	96.8	-169.9	-152.1	-177.3	-164.3	-167	3.5	111.2
12	T	28.6	Very low	32.5	Very low	115 Å²	115	152.8 Å²	152.8	71%	0.706	76%	0.762	S	S	*	*			trans	-64.5	135.5	157.9	40.7	0	0	0	0	109.5	Y10	Y10-T12 PolarHBondContact O-N 2.89Å
13	D	31.5	Very low	32.9	Very low	134 Å²	134	151.6 Å²	151.6	72%	0.717	75%	0.753	S	S	*	*			trans	-140.5	125.1	161	-129.3	-33.9	0	0	0	110.2	R15	D13-R15 PolarHBondContact O-N 3.23Å
14	H	27.9	Very low	33.3	Very low	171 Å²	171	150.3 Å²	150.3	79%	0.792	75%	0.751	S	S	*	*			trans	-79.4	105.5	-168.6	-72.2	-97.7	0	0	0	111.4
15	R	30.3	Very low	33.6	Very low	242 Å²	242	151.2 Å²	151.2	91%	0.913	75%	0.749	S	S	*	*			trans	-90.8	100.4	146.9	-81.5	-167.2	173.4	-166.3	-1.4	109.2	D13 R17	D13-R15 PolarHBondContact O-N 3.23Å; R15-R17 PolarHBondContact O-N 3.36Å; R15-R17 VanDerWaalsContact O-N 3.14Å
16	K	30	Very low	33.7	Very low	176 Å²	176	146.4 Å²	146.4	77%	0.765	74%	0.738	S	S	*	*			trans	-47.1	118.9	169.6	-66.4	174.1	178.3	176.1	0	108.7	C18	K16-C18 PolarHBondContact O-N 3Å
17	R	27.4	Very low	34.2	Very low	232 Å²	232	149.5 Å²	149.5	88%	0.875	74%	0.742	S	S	*	*			trans	-67.5	82.9	153.5	-72.9	-176.5	179.1	176.4	-0.7	106.2	R15 F19	R15-R17 PolarHBondContact O-N 3.36Å; R15-R17 VanDerWaalsContact O-N 3.14Å; R17-F19 PolarHBondContact O-N 3.1Å
18	C	29.8	Very low	35	Very low	97 Å²	97	148.4 Å²	148.4	66%	0.655	74%	0.743	S	S	*	*			trans	-62.5	117.9	169	-71.2	0	0	0	0	106.8	K16 A20	K16-C18 PolarHBondContact O-N 3Å; C18-A20 PolarHBondContact O-N 3.31Å
19	F	29.7	Very low	36.2	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.833	74%	0.737	S	S	*	*			trans	-62.6	100.2	174.1	-70.5	-94.6	0	0	0	108.1	R17 T21	R17-F19 PolarHBondContact O-N 3.1Å; F19-T21 PolarHBondContact O-N 2.9Å; F19-T21 VanDerWaalsContact O-N 3.07Å
20	A	35.1	Very low	37.5	Very low	61 Å²	61	149 Å²	149	50%	0.504	75%	0.745	S	S	.	*			trans	-77.5	14.6	-171.3	0	0	0	0	0	113.8	C18 L22	C18-A20 PolarHBondContact O-N 3.31Å; A20-L22 PolarHBondContact O-N 3.46Å; A20-L22 VanDerWaalsContact O-N 3.14Å
21	T	44.4	Very low	38.9	Very low	125 Å²	125	143.4 Å²	143.4	77%	0.767	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	0.8	-172	28.3	0	0	0	0	115.4	F19	F19-T21 PolarHBondContact O-N 2.9Å; F19-T21 VanDerWaalsContact O-N 3.07Å
22	L	38.7	Very low	41.1	Very low	88 Å²	88	135.8 Å²	135.8	46%	0.461	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-141.4	2.5	173.8	-99.5	164.3	0	0	0	114.8	A20 L24 Y39	A20-L22 PolarHBondContact O-N 3.46Å; A20-L22 VanDerWaalsContact O-N 3.14Å; L22-L24 PolarHBondContact O-N 3.2Å; L22-Y39 HydrophobicContact CD1-CD2 4.34Å; L22-Y39 HydrophobicContact CD1-CE2 3.59Å
23	S	39	Very low	43.3	Very low	89 Å²	89	137.1 Å²	137.1	62%	0.622	71%	0.713	S	S	*	*	S	Bend	trans	-96.9	25.3	-174.4	-161.7	0	0	0	0	113.6
24	L	40.7	Very low	45.4	Very low	146 Å²	146	134.2 Å²	134.2	76%	0.764	71%	0.708	S	S	*	*	S	Bend	trans	-125.3	14.1	-168.8	-78.2	166.1	0	0	0	113.8	L22	L22-L24 PolarHBondContact O-N 3.2Å
25	I	46.9	Very low	47.2	Very low	132 Å²	132	131.1 Å²	131.1	68%	0.677	69%	0.694	S	S	*	*	S	Bend	trans	-131.5	-16	-170.4	-56.4	-177.4	0	0	0	114.4
26	C	36.8	Very low	49	Very low	90 Å²	90	123 Å²	123	61%	0.608	67%	0.668	S	S	*	*			trans	-148.3	102.8	173.6	-79.7	0	0	0	0	111.7
27	D	46.4	Very low	51.1	Low	152 Å²	152	121.7 Å²	121.7	81%	0.813	66%	0.662	S	S	*	*	S	Bend	trans	-92.1	-13.3	168	-74.4	-43.3	0	0	0	113
28	D	48.5	Very low	52.9	Low	164 Å²	164	113.1 Å²	113.1	88%	0.877	64%	0.641	S	S	*	*	S	Bend	trans	-113.9	1.3	-169.1	-72.3	-50.6	0	0	0	116.6
29	E	55.8	Low	54.3	Low	157 Å²	157	114.1 Å²	114.1	73%	0.734	63%	0.632	S	S	*	*	S	Bend	trans	-129.2	125.5	175.1	-75.6	-164.9	151.5	0	0	113.2	L31	E29-L31 PolarHBondContact O-N 3.29Å
30	S	59.7	Low	56.3	Low	122 Å²	122	110.8 Å²	110.8	85%	0.853	62%	0.619	S	S	*	*			trans	-71	112.6	174	58.7	0	0	0	0	111.1	S32	S30-S32 PolarHBondContact O-N 3.19Å
31	L	60.4	Low	57.9	Low	114 Å²	114	111.3 Å²	111.3	60%	0.597	62%	0.616	S	S	*	*			trans	-50.8	132	172.1	-70.2	168.7	0	0	0	111.4	E29 Q35	E29-L31 PolarHBondContact O-N 3.29Å; L31-Q35 HydrophobicContact CD2-CB 4.32Å
32	S	76.4	Confident	58.4	Low	55 Å²	55	112.4 Å²	112.4	39%	0.385	61%	0.606	S	S	.	*			trans	-66.1	150.5	175.1	63.9	0	0	0	0	111.9	S30 A34 Q35 L36	S30-S32 PolarHBondContact O-N 3.19Å; S32-A34 PolarHBondContact O-N 2.96Å; S32-Q35 WeakPolarHBondContact O-CB 3.5Å; S32-Q35 PolarHBondContact O-N 3.32Å; S32-Q35 VanDerWaalsContact OG-CD 3.31Å; S32-Q35 WeakPolarHBondContact OG-CG 3.43Å; S32-Q35 PolarHBondContact OG-N 3.36Å; S32-Q35 PolarHBondContact OG-OE1 3.18Å; S32-L36 PolarHBondContact O-N 3.07Å
33	D	75.1	Confident	59.5	Low	143 Å²	143	110.9 Å²	110.9	77%	0.765	60%	0.598	S	S	*	*	H	α-helix	trans	-51.9	-32.3	175.4	-74.1	-26.6	0	0	0	112.8	K37	D33-K37 WeakPolarHBondContact O-CB 3.42Å; D33-K37 PolarHBondContact O-N 3.31Å
34	A	74.4	Confident	60.7	Low	73 Å²	73	111.6 Å²	111.6	60%	0.603	59%	0.592	S	S	*	*	H	α-helix	trans	-67.4	-44.3	175.8	0	0	0	0	0	112.5	S32 A38	S32-A34 PolarHBondContact O-N 2.96Å; A34-A38 VanDerWaalsContact O-CB 3.28Å; A34-A38 WeakPolarHBondContact O-CB 3.28Å; A34-A38 PolarHBondContact O-N 2.94Å
35	Q	65	Low	61.4	Low	106 Å²	106	107.9 Å²	107.9	50%	0.495	57%	0.57	S	S	.	*	H	α-helix	trans	-66.2	-41.7	174.5	-72.2	160.6	-51.1	0	0	111.1	L31 S32 A38 Y39	L31-Q35 HydrophobicContact CD2-CB 4.32Å; S32-Q35 WeakPolarHBondContact O-CB 3.5Å; S32-Q35 PolarHBondContact O-N 3.32Å; S32-Q35 VanDerWaalsContact OG-CD 3.31Å; S32-Q35 WeakPolarHBondContact OG-CG 3.43Å; S32-Q35 PolarHBondContact OG-N 3.36Å; S32-Q35 PolarHBondContact OG-OE1 3.18Å; Q35-A38 PolarHBondContact O-N 3.45Å; Q35-Y39 WeakPolarHBondContact O-CB 3.37Å; Q35-Y39 PolarHBondContact O-N 2.96Å
36	L	68.9	Low	61.6	Low	72 Å²	72	106.7 Å²	106.7	38%	0.377	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-41.8	-178.6	-142.9	157.4	0	0	0	111.1	S32 Y39 Q40	S32-L36 PolarHBondContact O-N 3.07Å; L36-Y39 PolarHBondContact O-N 2.99Å; L36-Q40 HydrophobicContact CD2-CG 4.43Å; L36-Q40 WeakPolarHBondContact O-CG 3.49Å; L36-Q40 PolarHBondContact O-N 3.38Å
37	K	74.3	Confident	62.7	Low	147 Å²	147	109.6 Å²	109.6	64%	0.639	56%	0.556	S	S	*	*	H	α-helix	trans	-64.8	-44.3	171.8	-172.6	174.9	-178.1	178.6	0	112.3	D33 Y39 Q40 T41	D33-K37 WeakPolarHBondContact O-CB 3.42Å; D33-K37 PolarHBondContact O-N 3.31Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.25Å; K37-Q40 PolarHBondContact O-N 2.74Å; K37-T41 PolarHBondContact O-N 3.47Å; K37-T41 PolarHBondContact O-OG1 3.07Å
38	A	66	Low	63.3	Low	52 Å²	52	106 Å²	106	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-62.1	-38.3	177.1	0	0	0	0	0	112.5	A34 Q35 R42	A34-A38 VanDerWaalsContact O-CB 3.28Å; A34-A38 WeakPolarHBondContact O-CB 3.28Å; A34-A38 PolarHBondContact O-N 2.94Å; Q35-A38 PolarHBondContact O-N 3.45Å; A38-R42 PolarHBondContact O-N 2.75Å; A38-R42 VanDerWaalsContact O-N 3.09Å
39	Y	58.6	Low	63.5	Low	118 Å²	118	100.2 Å²	100.2	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-46.3	173.2	177.9	-106.2	0	0	0	112	L22 Q35 L36 K37 T41 R42 L43	L22-Y39 HydrophobicContact CD1-CD2 4.34Å; L22-Y39 HydrophobicContact CD1-CE2 3.59Å; Q35-Y39 WeakPolarHBondContact O-CB 3.37Å; Q35-Y39 PolarHBondContact O-N 2.96Å; L36-Y39 PolarHBondContact O-N 2.99Å; K37-Y39 VanDerWaalsContact C-N 3.31Å; K37-Y39 PolarHBondContact O-N 3.25Å; Y39-T41 PolarHBondContact O-N 3.12Å; Y39-R42 PolarHBondContact O-N 3.16Å; Y39-L43 HydrophobicContact CE1-CD1 3.82Å; Y39-L43 HydrophobicContact CE2-CD1 4.34Å; Y39-L43 WeakPolarHBondContact O-CB 3.49Å; Y39-L43 PolarHBondContact O-N 3.01Å; Y39-L43 WeakPolarHBondContact OH-CD1 3.43Å
40	Q	70.6	Confident	63.2	Low	121 Å²	121	96.7 Å²	96.7	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-60.1	-41.9	176	-74.2	175.2	-1.8	0	0	112.5	L36 K37 L43 Q44	L36-Q40 HydrophobicContact CD2-CG 4.43Å; L36-Q40 WeakPolarHBondContact O-CG 3.49Å; L36-Q40 PolarHBondContact O-N 3.38Å; K37-Q40 PolarHBondContact O-N 2.74Å; Q40-L43 PolarHBondContact O-N 3.32Å; Q40-Q44 PolarHBondContact O-N 3.35Å
41	T	68.9	Low	62.9	Low	72 Å²	72	94.9 Å²	94.9	44%	0.442	47%	0.474	S	S	.	.	H	α-helix	trans	-61	-49.9	175.5	-60.2	0	0	0	0	111.4	K37 Y39 L43 Q44 E45	K37-T41 PolarHBondContact O-N 3.47Å; K37-T41 PolarHBondContact O-OG1 3.07Å; Y39-T41 PolarHBondContact O-N 3.12Å; T41-L43 VanDerWaalsContact C-N 3.31Å; T41-L43 PolarHBondContact O-N 3.48Å; T41-Q44 WeakPolarHBondContact O-CB 3.4Å; T41-Q44 PolarHBondContact O-N 2.97Å; T41-Q44 VanDerWaalsContact O-N 3.15Å; T41-E45 WeakPolarHBondContact O-CG 3.36Å; T41-E45 PolarHBondContact O-N 2.66Å
42	R	54.5	Low	62.3	Low	147 Å²	147	90.3 Å²	90.3	56%	0.555	45%	0.452	S	S	*	.	H	α-helix	trans	-60.7	-37.8	177.1	-75.4	-176.1	177.7	-173	-1	113.3	A38 Y39 Q44 E45 Y46	A38-R42 PolarHBondContact O-N 2.75Å; A38-R42 VanDerWaalsContact O-N 3.09Å; Y39-R42 PolarHBondContact O-N 3.16Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-Q44 PolarHBondContact O-N 3.32Å; R42-E45 PolarHBondContact O-N 3.01Å; R42-Y46 WeakPolarHBondContact O-CB 3.44Å; R42-Y46 PolarHBondContact O-N 3.46Å
43	L	61.7	Low	61	Low	56 Å²	56	90.3 Å²	90.3	29%	0.293	45%	0.45	S	S	.	.	H	α-helix	trans	-70.8	-29.3	179.7	-160.5	146	0	0	0	111.6	Y39 Q40 T41 R47	Y39-L43 HydrophobicContact CE1-CD1 3.82Å; Y39-L43 HydrophobicContact CE2-CD1 4.34Å; Y39-L43 WeakPolarHBondContact O-CB 3.49Å; Y39-L43 PolarHBondContact O-N 3.01Å; Y39-L43 WeakPolarHBondContact OH-CD1 3.43Å; Q40-L43 PolarHBondContact O-N 3.32Å; T41-L43 VanDerWaalsContact C-N 3.31Å; T41-L43 PolarHBondContact O-N 3.48Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.14Å
44	Q	66.2	Low	59.6	Low	105 Å²	105	86.7 Å²	86.7	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-72	-42.8	169.5	-171.9	62.4	22	0	0	111.9	Q40 T41 R42 Y46 R47 T48	Q40-Q44 PolarHBondContact O-N 3.35Å; T41-Q44 WeakPolarHBondContact O-CB 3.4Å; T41-Q44 PolarHBondContact O-N 2.97Å; T41-Q44 VanDerWaalsContact O-N 3.15Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-Q44 PolarHBondContact O-N 3.32Å; Q44-Y46 VanDerWaalsContact C-N 3.34Å; Q44-Y46 PolarHBondContact O-N 3.21Å; Q44-R47 WeakPolarHBondContact O-CB 3.47Å; Q44-R47 PolarHBondContact O-N 2.92Å; Q44-T48 PolarHBondContact O-N 3.16Å; Q44-T48 PolarHBondContact O-OG1 3.05Å
45	E	55	Low	58.3	Low	68 Å²	68	89.3 Å²	89.3	32%	0.318	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-40.9	176.3	-71.1	173.4	146.5	0	0	112.2	T41 R42 R47 T48 F49 F163	T41-E45 WeakPolarHBondContact O-CG 3.36Å; T41-E45 PolarHBondContact O-N 2.66Å; R42-E45 PolarHBondContact O-N 3.01Å; E45-R47 PolarHBondContact O-N 3.08Å; E45-T48 WeakPolarHBondContact CA-OG1 3.4Å; E45-T48 PolarHBondContact O-N 3.04Å; E45-T48 PolarHBondContact O-OG1 2.98Å; E45-F49 PolarHBondContact O-N 3.42Å; E45-F163 HydrophobicContact CB-CE1 4.35Å
46	Y	51.1	Low	57.3	Low	106 Å²	106	85.9 Å²	85.9	42%	0.416	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-37	174.7	179.9	-107.3	0	0	0	112.7	R42 Q44 F49 L50	R42-Y46 WeakPolarHBondContact O-CB 3.44Å; R42-Y46 PolarHBondContact O-N 3.46Å; Q44-Y46 VanDerWaalsContact C-N 3.34Å; Q44-Y46 PolarHBondContact O-N 3.21Å; Y46-F49 HydrophobicContact CD2-CD1 4.47Å; Y46-F49 PolarHBondContact O-N 3.21Å; Y46-L50 HydrophobicContact CD1-CD1 4.18Å; Y46-L50 HydrophobicContact CE1-CD1 3.56Å; Y46-L50 HydrophobicContact CE1-CG 4.23Å; Y46-L50 HydrophobicContact CE2-CG 4.49Å; Y46-L50 PolarHBondContact O-N 3.43Å
47	R	58.3	Low	55.9	Low	151 Å²	151	85.8 Å²	85.8	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-67.1	-42.4	174.7	-75.3	171.5	175.5	169.5	-1.3	112.4	L43 Q44 E45 F49 L50 D51	L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.14Å; Q44-R47 WeakPolarHBondContact O-CB 3.47Å; Q44-R47 PolarHBondContact O-N 2.92Å; E45-R47 PolarHBondContact O-N 3.08Å; R47-F49 VanDerWaalsContact C-N 3.27Å; R47-F49 PolarHBondContact O-N 2.97Å; R47-L50 PolarHBondContact O-N 2.91Å; R47-D51 PolarHBondContact O-N 3.05Å
48	T	59.9	Low	54.2	Low	77 Å²	77	85.5 Å²	85.5	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-65.1	-32.7	175	43.9	0	0	0	0	112.2	Q44 E45 D51 A52	Q44-T48 PolarHBondContact O-N 3.16Å; Q44-T48 PolarHBondContact O-OG1 3.05Å; E45-T48 WeakPolarHBondContact CA-OG1 3.4Å; E45-T48 PolarHBondContact O-N 3.04Å; E45-T48 PolarHBondContact O-OG1 2.98Å; T48-D51 PolarHBondContact O-N 3.34Å; T48-A52 WeakPolarHBondContact O-CB 3.1Å; T48-A52 PolarHBondContact O-N 2.98Å
49	F	52.2	Low	53	Low	43 Å²	43	84 Å²	84	19%	0.189	42%	0.415	C	S	.	.	H	α-helix	trans	-64.7	-45.9	172	167.8	-101.8	0	0	0	112.2	E45 Y46 R47 D51 A52 V53 I141 L160	E45-F49 PolarHBondContact O-N 3.42Å; Y46-F49 HydrophobicContact CD2-CD1 4.47Å; Y46-F49 PolarHBondContact O-N 3.21Å; R47-F49 VanDerWaalsContact C-N 3.27Å; R47-F49 PolarHBondContact O-N 2.97Å; F49-D51 VanDerWaalsContact C-N 3.32Å; F49-D51 PolarHBondContact O-N 3.46Å; F49-A52 PolarHBondContact O-N 2.81Å; F49-V53 HydrophobicContact CD2-CG2 4.14Å; F49-V53 HydrophobicContact CE1-CG2 4.07Å; F49-V53 HydrophobicContact CE2-CG2 3.6Å; F49-V53 HydrophobicContact CZ-CG2 3.57Å; F49-V53 WeakPolarHBondContact O-CG2 3.42Å; F49-V53 PolarHBondContact O-N 3.48Å; F49-I141 HydrophobicContact CE2-CD1 4.46Å; F49-L160 HydrophobicContact CD2-CD2 4.07Å; F49-L160 HydrophobicContact CE2-CD2 3.61Å; F49-L160 HydrophobicContact CZ-CD2 4.48Å
50	L	49.6	Very low	51.9	Low	82 Å²	82	83.4 Å²	83.4	43%	0.429	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-35.8	176	-69.4	178.6	0	0	0	112.6	Y46 R47 S54	Y46-L50 HydrophobicContact CD1-CD1 4.18Å; Y46-L50 HydrophobicContact CE1-CD1 3.56Å; Y46-L50 HydrophobicContact CE1-CG 4.23Å; Y46-L50 HydrophobicContact CE2-CG 4.49Å; Y46-L50 PolarHBondContact O-N 3.43Å; R47-L50 PolarHBondContact O-N 2.91Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 2.96Å
51	D	53.2	Low	50.3	Low	85 Å²	85	81.9 Å²	81.9	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-63.3	-45.2	173.1	-161.6	72.9	0	0	0	111.1	R47 T48 F49 S54 R55	R47-D51 PolarHBondContact O-N 3.05Å; T48-D51 PolarHBondContact O-N 3.34Å; F49-D51 VanDerWaalsContact C-N 3.32Å; F49-D51 PolarHBondContact O-N 3.46Å; D51-S54 PolarHBondContact O-N 2.87Å; D51-R55 VanDerWaalsContact O-CG 3.31Å; D51-R55 WeakPolarHBondContact O-CG 3.46Å; D51-R55 PolarHBondContact O-N 3.43Å; D51-R55 IonicContact OD2-CZ 3.12Å; D51-R55 VanDerWaalsContact OD2-CZ 3.28Å; D51-R55 IonicContact OD2-NE 3.81Å; D51-R55 PolarHBondContact OD2-NE 3.3Å; D51-R55 IonicContact OD2-NH2 3.97Å; D51-R55 PolarHBondContact OD2-NH2 3.37Å
52	A	48.5	Very low	48.9	Very low	17 Å²	17	81.7 Å²	81.7	14%	0.14	42%	0.422	C	S	.	.	H	α-helix	trans	-63.8	-41.4	176.7	0	0	0	0	0	112.9	T48 F49 R55 L56	T48-A52 WeakPolarHBondContact O-CB 3.1Å; T48-A52 PolarHBondContact O-N 2.98Å; F49-A52 PolarHBondContact O-N 2.81Å; A52-R55 PolarHBondContact O-N 2.83Å; A52-L56 WeakPolarHBondContact O-CG 3.5Å; A52-L56 PolarHBondContact O-N 3.41Å
53	V	48.6	Very low	48.4	Very low	56 Å²	56	75.7 Å²	75.7	34%	0.339	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-40.3	174.3	173.3	0	0	0	0	111.2	F49 R55 L56 A57	F49-V53 HydrophobicContact CD2-CG2 4.14Å; F49-V53 HydrophobicContact CE1-CG2 4.07Å; F49-V53 HydrophobicContact CE2-CG2 3.6Å; F49-V53 HydrophobicContact CZ-CG2 3.57Å; F49-V53 WeakPolarHBondContact O-CG2 3.42Å; F49-V53 PolarHBondContact O-N 3.48Å; V53-R55 VanDerWaalsContact C-N 3.3Å; V53-R55 PolarHBondContact O-N 3.02Å; V53-L56 PolarHBondContact O-N 3.48Å; V53-A57 PolarHBondContact O-N 3.01Å
54	S	45.8	Very low	47.5	Very low	67 Å²	67	75.6 Å²	75.6	47%	0.469	41%	0.405	S	S	.	.	H	α-helix	trans	-65.5	-31.1	175.3	-171.4	0	0	0	0	112.9	L50 D51 L58	L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 2.96Å; D51-S54 PolarHBondContact O-N 2.87Å; S54-L58 WeakPolarHBondContact O-CD1 3.11Å; S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.98Å
55	R	47.1	Very low	46.4	Very low	127 Å²	127	70.9 Å²	70.9	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-71.5	-44.2	172.5	-70.8	166.8	-170.4	-96.3	-3.2	111.6	D51 A52 V53 A57 L58 C59	D51-R55 VanDerWaalsContact O-CG 3.31Å; D51-R55 WeakPolarHBondContact O-CG 3.46Å; D51-R55 PolarHBondContact O-N 3.43Å; D51-R55 IonicContact OD2-CZ 3.12Å; D51-R55 VanDerWaalsContact OD2-CZ 3.28Å; D51-R55 IonicContact OD2-NE 3.81Å; D51-R55 PolarHBondContact OD2-NE 3.3Å; D51-R55 IonicContact OD2-NH2 3.97Å; D51-R55 PolarHBondContact OD2-NH2 3.37Å; A52-R55 PolarHBondContact O-N 2.83Å; V53-R55 VanDerWaalsContact C-N 3.3Å; V53-R55 PolarHBondContact O-N 3.02Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 3.15Å; R55-L58 WeakPolarHBondContact O-CA 3.5Å; R55-L58 WeakPolarHBondContact O-CB 3.48Å; R55-L58 PolarHBondContact O-N 3.22Å; R55-C59 PolarHBondContact O-N 3.25Å; R55-C59 PolarHBondContact O-SG 2.85Å
56	L	45.1	Very low	45.6	Very low	35 Å²	35	73.8 Å²	73.8	18%	0.183	40%	0.396	C	S	.	.	H	α-helix	trans	-59.2	-37.4	175.3	-74.4	165.3	0	0	0	112.4	A52 V53 L58 C59 A113 V115 I141	A52-L56 WeakPolarHBondContact O-CG 3.5Å; A52-L56 PolarHBondContact O-N 3.41Å; V53-L56 PolarHBondContact O-N 3.48Å; L56-L58 PolarHBondContact O-N 3.09Å; L56-C59 PolarHBondContact O-N 3.47Å; L56-A113 HydrophobicContact CD2-CB 3.44Å; L56-A113 VanDerWaalsContact CD2-CB 3.44Å; L56-V115 HydrophobicContact CD2-CG2 4.13Å; L56-I141 HydrophobicContact CD1-CD1 3.72Å; L56-I141 HydrophobicContact CD1-CG1 3.89Å; L56-I141 HydrophobicContact CD1-CG2 3.89Å
57	A	38	Very low	45.3	Very low	69 Å²	69	73.7 Å²	73.7	57%	0.57	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.7	173.9	0	0	0	0	0	114.2	V53 R55	V53-A57 PolarHBondContact O-N 3.01Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 3.15Å
58	L	39.9	Very low	44.7	Very low	141 Å²	141	70.4 Å²	70.4	74%	0.738	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-10.6	173.3	-69.3	165	0	0	0	112.7	S54 R55 L56 S60	S54-L58 WeakPolarHBondContact O-CD1 3.11Å; S54-L58 WeakPolarHBondContact O-CG 3.43Å; S54-L58 PolarHBondContact O-N 2.98Å; R55-L58 WeakPolarHBondContact O-CA 3.5Å; R55-L58 WeakPolarHBondContact O-CB 3.48Å; R55-L58 PolarHBondContact O-N 3.22Å; L56-L58 PolarHBondContact O-N 3.09Å; L58-S60 PolarHBondContact O-N 3.11Å
59	C	41.1	Very low	44	Very low	21 Å²	21	68.1 Å²	68.1	14%	0.142	39%	0.391	C	S	.	.			trans	-74.7	117.2	175.1	-66.6	0	0	0	0	110.1	R55 L56 N61 V62	R55-C59 PolarHBondContact O-N 3.25Å; R55-C59 PolarHBondContact O-SG 2.85Å; L56-C59 PolarHBondContact O-N 3.47Å; C59-N61 PolarHBondContact O-N 2.65Å; C59-N61 VanDerWaalsContact O-N 3.16Å; C59-V62 HydrophobicContact CB-CG2 4.07Å
60	S	33.6	Very low	43.8	Very low	106 Å²	106	69.2 Å²	69.2	74%	0.741	40%	0.401	S	S	*	.	S	Bend	trans	-66.5	-15.5	179.1	66.4	0	0	0	0	114.2	L58	L58-S60 PolarHBondContact O-N 3.11Å
61	N	38	Very low	43.8	Very low	88 Å²	88	69.1 Å²	69.1	47%	0.471	40%	0.4	S	S	.	.			trans	-140.5	115.7	-178.6	-63.1	-64.9	0	0	0	109.6	C59	C59-N61 PolarHBondContact O-N 2.65Å; C59-N61 VanDerWaalsContact O-N 3.16Å
62	V	40.4	Very low	43.5	Very low	68 Å²	68	66.5 Å²	66.5	41%	0.412	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.6	173.7	179.2	0	0	0	0	107.9	C59 V115	C59-V62 HydrophobicContact CB-CG2 4.07Å; V62-V115 HydrophobicContact CG1-CB 4.13Å; V62-V115 HydrophobicContact CG1-CG2 3.63Å
63	C	42.1	Very low	43.2	Very low	22 Å²	22	74.8 Å²	74.8	15%	0.149	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.3	173.7	78.1	0	0	0	0	111.2	V93 A113 V115	C63-V93 HydrophobicContact CB-CG2 4.08Å; C63-A113 PolarHBondContact N-O 3.17Å; C63-V115 PolarHBondContact O-N 2.8Å
64	V	44.4	Very low	42.7	Very low	54 Å²	54	79.8 Å²	79.8	33%	0.327	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.7	-178.7	179.3	0	0	0	0	109.2	V115 A117	V64-V115 VanDerWaalsContact CA-O 3.29Å; V64-V115 WeakPolarHBondContact CA-O 3.17Å; V64-V115 HydrophobicContact CG2-CB 4.39Å; V64-A117 HydrophobicContact CG1-CB 3.56Å
65	T	42.5	Very low	42.5	Very low	5 Å²	5	79.5 Å²	79.5	3%	0.031	46%	0.456	C	S	.	.			trans	-133.5	139.8	178.1	67.6	0	0	0	0	111.5	E67 V69 L85	T65-E67 PolarHBondContact OG1-O 3.39Å; T65-V69 HydrophobicContact CG2-CG2 3.94Å; T65-L85 HydrophobicContact CG2-CD2 3.62Å; T65-L85 HydrophobicContact CG2-CG 4.39Å
66	E	39	Very low	42.4	Very low	129 Å²	129	77.2 Å²	77.2	60%	0.603	45%	0.453	S	S	*	.	S	Bend	trans	-76.5	-32.1	171.2	-60.5	-157.2	148.6	0	0	111.6	K116	E66-K116 WeakPolarHBondContact O-CE 3.41Å; E66-K116 PolarHBondContact O-NZ 3.37Å
67	E	44.2	Very low	42.7	Very low	105 Å²	105	77 Å²	77	49%	0.491	45%	0.451	S	S	.	.	S	Bend	trans	-90.8	159	-179.3	-60.8	-163.1	149.9	0	0	112.7	T65 V69 A84	T65-E67 PolarHBondContact OG1-O 3.39Å; E67-V69 PolarHBondContact O-N 2.76Å; E67-A84 HydrophobicContact CB-CB 3.97Å; E67-A84 WeakPolarHBondContact OE2-CA 3.39Å; E67-A84 WeakPolarHBondContact OE2-CB 3.48Å
68	A	44.6	Very low	43.9	Very low	82 Å²	82	75.7 Å²	75.7	68%	0.678	44%	0.437	S	S	*	.			trans	-82.9	107.7	-179.1	0	0	0	0	0	110.7	T70	A68-T70 PolarHBondContact O-N 3.13Å
69	V	47.1	Very low	44.7	Very low	28 Å²	28	71.6 Å²	71.6	17%	0.17	43%	0.428	C	S	.	.			trans	-68.6	122.2	175.9	179.3	0	0	0	0	109.9	T65 E67 L77	T65-V69 HydrophobicContact CG2-CG2 3.94Å; E67-V69 PolarHBondContact O-N 2.76Å; V69-L77 HydrophobicContact CG1-CD2 3.23Å
70	T	46.8	Very low	45.5	Very low	67 Å²	67	78.1 Å²	78.1	41%	0.411	46%	0.457	S	S	.	.			trans	-105.8	122	175.7	54.3	0	0	0	0	110.8	A68 T78 S81	A68-T70 PolarHBondContact O-N 3.13Å; T70-T78 PolarHBondContact O-N 3.14Å; T70-T78 PolarHBondContact OG1-OG1 3.09Å; T70-S81 PolarHBondContact N-OG 3.05Å; T70-S81 PolarHBondContact O-OG 2.99Å; T70-S81 PolarHBondContact OG1-OG 3.49Å
71	I	49	Very low	46.5	Very low	80 Å²	80	73.2 Å²	73.2	41%	0.41	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-93.6	120.7	175.9	-52.8	176.7	0	0	0	107.3	A151	I71-A151 HydrophobicContact CD1-CB 4.3Å
72	G	47.1	Very low	47.3	Very low	29 Å²	29	70.1 Å²	70.1	30%	0.299	41%	0.406	S	S	.	.			trans	-72.3	174.3	176.8	0	0	0	0	0	113	H74 G75 L76	G72-H74 PolarHBondContact O-N 3.48Å; G72-G75 PolarHBondContact O-N 3.36Å; G72-G75 VanDerWaalsContact O-N 3.11Å; G72-L76 PolarHBondContact N-O 2.98Å
73	E	42.1	Very low	48.3	Very low	192 Å²	192	70.7 Å²	70.7	90%	0.897	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-3.4	-171.3	-58.4	-169.9	145.5	0	0	115.6
74	H	38.9	Very low	49	Very low	161 Å²	161	69.9 Å²	69.9	75%	0.745	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	15.5	-178.8	-59.2	-40.1	0	0	0	113.7	G72 L76	G72-H74 PolarHBondContact O-N 3.48Å; H74-L76 HydrophobicContact CB-CD1 4.28Å; H74-L76 HydrophobicContact CB-CG 4.34Å; H74-L76 PolarHBondContact O-N 3.38Å
75	G	41.1	Very low	49.4	Very low	60 Å²	60	67.5 Å²	67.5	62%	0.619	39%	0.387	S	S	*	.	S	Bend	trans	76.2	-6.3	-174.2	0	0	0	0	0	114.2	G72	G72-G75 PolarHBondContact O-N 3.36Å; G72-G75 VanDerWaalsContact O-N 3.11Å
76	L	44.6	Very low	49.8	Very low	80 Å²	80	71.8 Å²	71.8	42%	0.419	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-72.9	135.4	173.1	-62.3	171.3	0	0	0	110.5	G72 H74 W102	G72-L76 PolarHBondContact N-O 2.98Å; H74-L76 HydrophobicContact CB-CD1 4.28Å; H74-L76 HydrophobicContact CB-CG 4.34Å; H74-L76 PolarHBondContact O-N 3.38Å; L76-W102 HydrophobicContact CD2-CB 3.66Å; L76-W102 HydrophobicContact CD2-CD2 4.46Å; L76-W102 HydrophobicContact CD2-CE3 4.24Å; L76-W102 HydrophobicContact CD2-CG 4.29Å
77	L	53.4	Low	50.4	Low	29 Å²	29	72.1 Å²	72.1	15%	0.152	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-60.6	143.4	166.2	-69.4	162	0	0	0	109.5	V69 L85 L97 W102	V69-L77 HydrophobicContact CG1-CD2 3.23Å; L77-L85 HydrophobicContact CD1-CD1 3.81Å; L77-L97 HydrophobicContact CD1-CD1 3.47Å; L77-L97 VanDerWaalsContact CD1-CD1 3.47Å; L77-L97 HydrophobicContact CD1-CD2 4.18Å; L77-L97 HydrophobicContact CD1-CG 4.46Å; L77-W102 HydrophobicContact CB-CZ3 4.07Å; L77-W102 VanDerWaalsContact O-CZ3 3.27Å; L77-W102 WeakPolarHBondContact O-CZ3 3.14Å
78	T	61.7	Low	50.4	Low	43 Å²	43	68.9 Å²	68.9	26%	0.264	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-67.5	154.4	168.2	60.8	0	0	0	0	109.9	T70 E80 S81 L82	T70-T78 PolarHBondContact O-N 3.14Å; T70-T78 PolarHBondContact OG1-OG1 3.09Å; T78-E80 PolarHBondContact O-N 3.15Å; T78-S81 WeakPolarHBondContact O-CA 3.15Å; T78-S81 WeakPolarHBondContact O-CB 3.37Å; T78-S81 PolarHBondContact O-N 2.95Å; T78-S81 WeakPolarHBondContact OG1-CB 3.49Å; T78-S81 PolarHBondContact OG1-N 2.94Å; T78-S81 PolarHBondContact OG1-OG 3.07Å; T78-L82 PolarHBondContact O-N 3.28Å
79	G	56.8	Low	50.2	Low	55 Å²	55	67.5 Å²	67.5	57%	0.567	39%	0.392	S	S	*	.	H	α-helix	trans	-57.2	-32.1	174.4	0	0	0	0	0	112.6	L82 N83	G79-L82 PolarHBondContact O-N 2.8Å; G79-N83 WeakPolarHBondContact O-CB 3.41Å; G79-N83 PolarHBondContact O-N 3.46Å
80	E	58.1	Low	50.3	Low	158 Å²	158	66.7 Å²	66.7	74%	0.738	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-42.4	170.5	-61.1	173.7	164.6	0	0	111.7	T78 N83 A84	T78-E80 PolarHBondContact O-N 3.15Å; E80-N83 PolarHBondContact O-N 3.21Å; E80-A84 VanDerWaalsContact O-CB 3.31Å; E80-A84 WeakPolarHBondContact O-CB 3.33Å; E80-A84 PolarHBondContact O-N 2.97Å
81	S	54.2	Low	50.4	Low	2 Å²	2	68.1 Å²	68.1	1%	0.014	39%	0.393	C	S	.	.	H	α-helix	trans	-72.2	-30.9	178	-56.1	0	0	0	0	113.7	T70 T78 A84 L85	T70-S81 PolarHBondContact N-OG 3.05Å; T70-S81 PolarHBondContact O-OG 2.99Å; T70-S81 PolarHBondContact OG1-OG 3.49Å; T78-S81 WeakPolarHBondContact O-CA 3.15Å; T78-S81 WeakPolarHBondContact O-CB 3.37Å; T78-S81 PolarHBondContact O-N 2.95Å; T78-S81 WeakPolarHBondContact OG1-CB 3.49Å; T78-S81 PolarHBondContact OG1-N 2.94Å; T78-S81 PolarHBondContact OG1-OG 3.07Å; S81-A84 WeakPolarHBondContact O-CB 3.45Å; S81-L85 WeakPolarHBondContact O-CG 3.23Å; S81-L85 PolarHBondContact O-N 2.72Å
82	L	56	Low	50.3	Low	24 Å²	24	68.5 Å²	68.5	13%	0.126	40%	0.402	C	S	.	.	H	α-helix	trans	-71.2	-41	173.3	-167.5	75.3	0	0	0	110.8	T78 G79 A84 L85 Q86 Y94 L97 W102	T78-L82 PolarHBondContact O-N 3.28Å; G79-L82 PolarHBondContact O-N 2.8Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-L85 PolarHBondContact O-N 3.25Å; L82-Q86 PolarHBondContact O-N 3.41Å; L82-Q86 VanDerWaalsContact O-N 3.07Å; L82-Y94 HydrophobicContact CD1-CD2 4.02Å; L82-Y94 HydrophobicContact CD1-CE2 4.32Å; L82-Y94 HydrophobicContact CD2-CE2 4.14Å; L82-Y94 HydrophobicContact CG-CD2 3.96Å; L82-Y94 HydrophobicContact CG-CE2 3.83Å; L82-L97 HydrophobicContact CD1-CD1 4.33Å; L82-W102 HydrophobicContact CB-CH2 4.33Å; L82-W102 HydrophobicContact CD2-CH2 3.73Å; L82-W102 HydrophobicContact CD2-CZ2 3.89Å; L82-W102 HydrophobicContact CD2-CZ3 4.49Å; L82-W102 HydrophobicContact CG-CH2 4.46Å
83	N	61.1	Low	50.3	Low	80 Å²	80	69 Å²	69	43%	0.428	40%	0.4	S	S	.	.	H	α-helix	trans	-63.5	-40.6	172.4	-160.2	28.6	0	0	0	110.8	G79 E80 L85 Q86 H87	G79-N83 WeakPolarHBondContact O-CB 3.41Å; G79-N83 PolarHBondContact O-N 3.46Å; E80-N83 PolarHBondContact O-N 3.21Å; N83-L85 PolarHBondContact O-N 2.7Å; N83-Q86 WeakPolarHBondContact O-CB 3.49Å; N83-Q86 PolarHBondContact O-N 3.31Å; N83-Q86 VanDerWaalsContact O-N 3.13Å; N83-H87 PolarHBondContact O-CD2 2.71Å; N83-H87 PolarHBondContact O-N 2.68Å; N83-H87 PolarHBondContact OD1-CD2 3.14Å; N83-H87 PolarHBondContact OD1-NE2 2.76Å
84	A	56.5	Low	50.6	Low	4 Å²	4	61.6 Å²	61.6	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-58.9	-41.6	173.6	0	0	0	0	0	113.1	E67 E80 S81 L82 Q86 H87 A88	E67-A84 HydrophobicContact CB-CB 3.97Å; E67-A84 WeakPolarHBondContact OE2-CA 3.39Å; E67-A84 WeakPolarHBondContact OE2-CB 3.48Å; E80-A84 VanDerWaalsContact O-CB 3.31Å; E80-A84 WeakPolarHBondContact O-CB 3.33Å; E80-A84 PolarHBondContact O-N 2.97Å; S81-A84 WeakPolarHBondContact O-CB 3.45Å; L82-A84 VanDerWaalsContact C-N 3.34Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-H87 PolarHBondContact O-N 2.05Å; A84-A88 WeakPolarHBondContact O-CB 2.98Å; A84-A88 PolarHBondContact O-N 3.09Å
85	L	53.3	Low	51.1	Low	5 Å²	5	57.1 Å²	57.1	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-38.3	173.4	-81.3	159.1	0	0	0	112.2	T65 L77 S81 L82 N83 A90 V93 L97	T65-L85 HydrophobicContact CG2-CD2 3.62Å; T65-L85 HydrophobicContact CG2-CG 4.39Å; L77-L85 HydrophobicContact CD1-CD1 3.81Å; S81-L85 WeakPolarHBondContact O-CG 3.23Å; S81-L85 PolarHBondContact O-N 2.72Å; L82-L85 PolarHBondContact O-N 3.25Å; N83-L85 PolarHBondContact O-N 2.7Å; L85-A90 HydrophobicContact CD2-CB 3.82Å; L85-A90 PolarHBondContact O-N 3.35Å; L85-V93 HydrophobicContact CD2-CG1 4.18Å; L85-L97 HydrophobicContact CD1-CD1 3.96Å
86	Q	51	Low	51.6	Low	94 Å²	94	57.1 Å²	57.1	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-43.8	176	-166.2	173.6	-14.5	0	0	111.7	L82 N83 A84 G89 Y94	L82-Q86 PolarHBondContact O-N 3.41Å; L82-Q86 VanDerWaalsContact O-N 3.07Å; N83-Q86 WeakPolarHBondContact O-CB 3.49Å; N83-Q86 PolarHBondContact O-N 3.31Å; N83-Q86 VanDerWaalsContact O-N 3.13Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-G89 PolarHBondContact O-N 3.22Å; Q86-Y94 HydrophobicContact CB-CD2 3.86Å; Q86-Y94 HydrophobicContact CB-CE2 3.83Å; Q86-Y94 HydrophobicContact CG-CD2 4.32Å; Q86-Y94 HydrophobicContact CG-CE2 4.04Å; Q86-Y94 VanDerWaalsContact OE1-CZ 3.27Å; Q86-Y94 PolarHBondContact OE1-OH 3.45Å
87	H	50.8	Low	51.9	Low	137 Å²	137	54.3 Å²	54.3	63%	0.634	32%	0.319	S	S	*	.	H	α-helix	trans	-71	-28.6	175.7	-70.9	-57.6	0	0	0	113.5	N83 A84 G89	N83-H87 PolarHBondContact O-CD2 2.71Å; N83-H87 PolarHBondContact O-N 2.68Å; N83-H87 PolarHBondContact OD1-CD2 3.14Å; N83-H87 PolarHBondContact OD1-NE2 2.76Å; A84-H87 PolarHBondContact O-N 2.05Å; H87-G89 PolarHBondContact O-N 2.77Å
88	A	44	Very low	51.8	Low	36 Å²	36	58 Å²	58	30%	0.298	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2.9	178.1	0	0	0	0	0	114.3	A84 A90	A84-A88 WeakPolarHBondContact O-CB 2.98Å; A84-A88 PolarHBondContact O-N 3.09Å; A88-A90 PolarHBondContact O-N 2.61Å
89	G	41.7	Very low	51.4	Low	53 Å²	53	62.8 Å²	62.8	55%	0.546	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	10.4	-177.5	0	0	0	0	0	114.3	Q86 H87 I91	Q86-G89 PolarHBondContact O-N 3.22Å; H87-G89 PolarHBondContact O-N 2.77Å; G89-I91 PolarHBondContact O-N 3.37Å
90	A	48.1	Very low	51	Low	12 Å²	12	63.5 Å²	63.5	10%	0.099	35%	0.345	C	S	.	.			trans	-78.9	46.7	177.6	0	0	0	0	0	111.6	L85 A88 S92 V93 Y94	L85-A90 HydrophobicContact CD2-CB 3.82Å; L85-A90 PolarHBondContact O-N 3.35Å; A88-A90 PolarHBondContact O-N 2.61Å; A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 3.17Å; A90-V93 HydrophobicContact CB-CB 4.33Å; A90-V93 HydrophobicContact CB-CG2 4.45Å; A90-V93 PolarHBondContact O-N 2.99Å; A90-Y94 PolarHBondContact O-N 2.94Å
91	I	49.2	Very low	50.5	Low	97 Å²	97	62.6 Å²	62.6	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-61	-35	-171.1	-64.6	168.9	0	0	0	111.3	G89 Y94 N95	G89-I91 PolarHBondContact O-N 3.37Å; I91-Y94 PolarHBondContact O-N 3.06Å; I91-N95 VanDerWaalsContact O-CB 3.23Å; I91-N95 WeakPolarHBondContact O-CB 3.48Å; I91-N95 PolarHBondContact O-N 3.08Å; I91-N95 PolarHBondContact O-ND2 3.3Å
92	S	46.2	Very low	49.9	Very low	87 Å²	87	67.9 Å²	67.9	61%	0.608	37%	0.365	S	S	*	.	H	α-helix	trans	-62.5	-42.5	173.8	56.5	0	0	0	0	112.6	A90 T96	A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 3.17Å; S92-T96 WeakPolarHBondContact O-CB 3.14Å; S92-T96 PolarHBondContact O-N 3Å; S92-T96 PolarHBondContact O-OG1 3.11Å
93	V	47.4	Very low	48.9	Very low	41 Å²	41	74 Å²	74	25%	0.248	39%	0.393	C	S	.	.	H	α-helix	trans	-70.3	-42.9	178.2	-177.5	0	0	0	0	110.4	C63 L85 A90 T96 L97	C63-V93 HydrophobicContact CB-CG2 4.08Å; L85-V93 HydrophobicContact CD2-CG1 4.18Å; A90-V93 HydrophobicContact CB-CB 4.33Å; A90-V93 HydrophobicContact CB-CG2 4.45Å; A90-V93 PolarHBondContact O-N 2.99Å; V93-T96 PolarHBondContact O-N 3.19Å; V93-L97 HydrophobicContact CG1-CD1 3.96Å; V93-L97 WeakPolarHBondContact O-CB 3.31Å; V93-L97 WeakPolarHBondContact O-CD1 3.12Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.42Å; V93-L97 PolarHBondContact O-N 3.34Å
94	Y	48.8	Very low	47.9	Very low	36 Å²	36	75 Å²	75	14%	0.141	39%	0.394	C	S	.	.	H	α-helix	trans	-58.6	-49.4	173.5	177.9	-86.1	0	0	0	111.9	L82 Q86 A90 I91 T96 L97 Q98	L82-Y94 HydrophobicContact CD1-CD2 4.02Å; L82-Y94 HydrophobicContact CD1-CE2 4.32Å; L82-Y94 HydrophobicContact CD2-CE2 4.14Å; L82-Y94 HydrophobicContact CG-CD2 3.96Å; L82-Y94 HydrophobicContact CG-CE2 3.83Å; Q86-Y94 HydrophobicContact CB-CD2 3.86Å; Q86-Y94 HydrophobicContact CB-CE2 3.83Å; Q86-Y94 HydrophobicContact CG-CD2 4.32Å; Q86-Y94 HydrophobicContact CG-CE2 4.04Å; Q86-Y94 VanDerWaalsContact OE1-CZ 3.27Å; Q86-Y94 PolarHBondContact OE1-OH 3.45Å; A90-Y94 PolarHBondContact O-N 2.94Å; I91-Y94 PolarHBondContact O-N 3.06Å; Y94-T96 VanDerWaalsContact C-N 3.35Å; Y94-T96 PolarHBondContact O-N 3.23Å; Y94-L97 PolarHBondContact O-N 2.97Å; Y94-Q98 HydrophobicContact CD1-CG 4.35Å; Y94-Q98 VanDerWaalsContact CE1-CD 3.5Å; Y94-Q98 HydrophobicContact CE1-CG 4Å; Y94-Q98 VanDerWaalsContact CE1-NE2 3.26Å; Y94-Q98 VanDerWaalsContact CZ-NE2 3.34Å; Y94-Q98 PolarHBondContact O-N 2.82Å; Y94-Q98 PolarHBondContact OH-NE2 3.48Å; Y94-Q98 VanDerWaalsContact OH-NE2 3.08Å
95	N	50.1	Low	46.8	Very low	66 Å²	66	79.6 Å²	79.6	35%	0.353	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.8	-72.4	-9.8	0	0	0	111.2	I91 L97 Q98 Q99	I91-N95 VanDerWaalsContact O-CB 3.23Å; I91-N95 WeakPolarHBondContact O-CB 3.48Å; I91-N95 PolarHBondContact O-N 3.08Å; I91-N95 PolarHBondContact O-ND2 3.3Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.24Å; N95-Q98 PolarHBondContact O-N 2.77Å; N95-Q99 VanDerWaalsContact O-CB 3.29Å; N95-Q99 WeakPolarHBondContact O-CB 3.45Å; N95-Q99 WeakPolarHBondContact O-CG 3.44Å; N95-Q99 PolarHBondContact O-N 2.97Å
96	T	50.9	Low	46	Very low	61 Å²	61	86.6 Å²	86.6	37%	0.374	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-38.4	175.9	-55.6	0	0	0	0	111.7	S92 V93 Y94 N100	S92-T96 WeakPolarHBondContact O-CB 3.14Å; S92-T96 PolarHBondContact O-N 3Å; S92-T96 PolarHBondContact O-OG1 3.11Å; V93-T96 PolarHBondContact O-N 3.19Å; Y94-T96 VanDerWaalsContact C-N 3.35Å; Y94-T96 PolarHBondContact O-N 3.23Å; T96-N100 PolarHBondContact O-N 2.95Å; T96-N100 PolarHBondContact O-ND2 2.81Å
97	L	50.3	Low	45.2	Very low	21 Å²	21	86.3 Å²	86.3	11%	0.11	47%	0.468	C	S	.	.	H	α-helix	trans	-70.8	-37.4	176.5	-73.9	162.7	0	0	0	112.7	L77 L82 L85 V93 Y94 N95 W102 F104	L77-L97 HydrophobicContact CD1-CD1 3.47Å; L77-L97 VanDerWaalsContact CD1-CD1 3.47Å; L77-L97 HydrophobicContact CD1-CD2 4.18Å; L77-L97 HydrophobicContact CD1-CG 4.46Å; L82-L97 HydrophobicContact CD1-CD1 4.33Å; L85-L97 HydrophobicContact CD1-CD1 3.96Å; V93-L97 HydrophobicContact CG1-CD1 3.96Å; V93-L97 WeakPolarHBondContact O-CB 3.31Å; V93-L97 WeakPolarHBondContact O-CD1 3.12Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.42Å; V93-L97 PolarHBondContact O-N 3.34Å; Y94-L97 PolarHBondContact O-N 2.97Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.24Å; L97-W102 PolarHBondContact O-N 2.94Å; L97-F104 HydrophobicContact CD2-CD2 4.45Å
98	Q	52	Low	44.5	Very low	107 Å²	107	89.3 Å²	89.3	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-65.4	-47.6	171.6	-79.9	-160.3	-12.1	0	0	111.8	Y94 N95 N100 N101	Y94-Q98 HydrophobicContact CD1-CG 4.35Å; Y94-Q98 VanDerWaalsContact CE1-CD 3.5Å; Y94-Q98 HydrophobicContact CE1-CG 4Å; Y94-Q98 VanDerWaalsContact CE1-NE2 3.26Å; Y94-Q98 VanDerWaalsContact CZ-NE2 3.34Å; Y94-Q98 PolarHBondContact O-N 2.82Å; Y94-Q98 PolarHBondContact OH-NE2 3.48Å; Y94-Q98 VanDerWaalsContact OH-NE2 3.08Å; N95-Q98 PolarHBondContact O-N 2.77Å; Q98-N100 PolarHBondContact O-N 3.26Å; Q98-N101 PolarHBondContact O-N 3.4Å
99	Q	53.8	Low	44.1	Very low	142 Å²	142	96.2 Å²	96.2	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-31.6	-177.7	-76	169.9	6.2	0	0	112.8	N95	N95-Q99 VanDerWaalsContact O-CB 3.29Å; N95-Q99 WeakPolarHBondContact O-CB 3.45Å; N95-Q99 WeakPolarHBondContact O-CG 3.44Å; N95-Q99 PolarHBondContact O-N 2.97Å
100	N	48.2	Very low	43.9	Very low	70 Å²	70	97 Å²	97	37%	0.374	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	21.4	-178.6	-63.7	-72.9	0	0	0	114.2	T96 Q98 W102 E103	T96-N100 PolarHBondContact O-N 2.95Å; T96-N100 PolarHBondContact O-ND2 2.81Å; Q98-N100 PolarHBondContact O-N 3.26Å; N100-W102 VanDerWaalsContact C-N 3.26Å; N100-W102 PolarHBondContact O-N 3.33Å; N100-W102 VanDerWaalsContact O-N 3.15Å; N100-E103 VanDerWaalsContact CB-O 3.24Å; N100-E103 WeakPolarHBondContact CB-O 3.48Å; N100-E103 PolarHBondContact O-N 3.23Å
101	N	46.4	Very low	43.3	Very low	139 Å²	139	102 Å²	102	74%	0.743	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	35.6	172.1	-105.5	-8	0	0	0	114.2	Q98 E103	Q98-N101 PolarHBondContact O-N 3.4Å; N101-E103 PolarHBondContact O-N 2.85Å
102	W	43	Very low	42.7	Very low	114 Å²	114	100.6 Å²	100.6	43%	0.432	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	2.7	-172.8	-52.4	72.7	0	0	0	116.1	L76 L77 L82 L97 N100	L76-W102 HydrophobicContact CD2-CB 3.66Å; L76-W102 HydrophobicContact CD2-CD2 4.46Å; L76-W102 HydrophobicContact CD2-CE3 4.24Å; L76-W102 HydrophobicContact CD2-CG 4.29Å; L77-W102 HydrophobicContact CB-CZ3 4.07Å; L77-W102 VanDerWaalsContact O-CZ3 3.27Å; L77-W102 WeakPolarHBondContact O-CZ3 3.14Å; L82-W102 HydrophobicContact CB-CH2 4.33Å; L82-W102 HydrophobicContact CD2-CH2 3.73Å; L82-W102 HydrophobicContact CD2-CZ2 3.89Å; L82-W102 HydrophobicContact CD2-CZ3 4.49Å; L82-W102 HydrophobicContact CG-CH2 4.46Å; L97-W102 PolarHBondContact O-N 2.94Å; N100-W102 VanDerWaalsContact C-N 3.26Å; N100-W102 PolarHBondContact O-N 3.33Å; N100-W102 VanDerWaalsContact O-N 3.15Å
103	E	34.8	Very low	42.3	Very low	152 Å²	152	97 Å²	97	71%	0.71	51%	0.509	S	S	*	.			trans	-96.6	119.2	178.5	-63.7	-174.6	170.2	0	0	110.5	N100 N101 P105	N100-E103 VanDerWaalsContact CB-O 3.24Å; N100-E103 WeakPolarHBondContact CB-O 3.48Å; N100-E103 PolarHBondContact O-N 3.23Å; N101-E103 PolarHBondContact O-N 2.85Å; E103-P105 WeakPolarHBondContact O-CD 3.15Å
104	F	39.2	Very low	42	Very low	102 Å²	102	97 Å²	97	45%	0.447	51%	0.507	S	S	.	.			trans	-83.6	121.5	168.6	-138.9	-89	0	0	0	108.1	L97 I106	L97-F104 HydrophobicContact CD2-CD2 4.45Å; F104-I106 PolarHBondContact O-N 2.78Å
105	P	34.9	Very low	41.6	Very low	99 Å²	99	95.6 Å²	95.6	64%	0.643	50%	0.502	S	S	*	.			trans	-67	101.5	171.7	26.4	-31.9	0	0	0	108.9	E103 S107	E103-P105 WeakPolarHBondContact O-CD 3.15Å; P105-S107 PolarHBondContact O-N 3.35Å
106	I	36.1	Very low	41.1	Very low	153 Å²	153	96.2 Å²	96.2	79%	0.785	50%	0.502	S	S	*	.			trans	-69.1	99.5	175.6	-55.4	173.1	0	0	0	107.6	F104	F104-I106 PolarHBondContact O-N 2.78Å
107	S	33	Very low	40.5	Very low	88 Å²	88	93.5 Å²	93.5	62%	0.615	49%	0.485	S	S	*	.			trans	-63.6	138.7	159.9	-167.4	0	0	0	0	108.2	P105 E109	P105-S107 PolarHBondContact O-N 3.35Å; S107-E109 PolarHBondContact O-N 3.19Å
108	E	37.3	Very low	40.1	Very low	199 Å²	199	98 Å²	98	93%	0.93	51%	0.506	S	S	*	.	S	Bend	trans	-66.1	-2.4	-175.7	-60.2	-173	159.2	0	0	113.4
109	E	35.2	Very low	39.7	Very low	181 Å²	181	96.3 Å²	96.3	85%	0.846	50%	0.503	S	S	*	.	S	Bend	trans	-138.1	89.7	179.5	-58.8	-176.1	164.8	0	0	110.4	S107	S107-E109 PolarHBondContact O-N 3.19Å
110	G	36.6	Very low	39.1	Very low	70 Å²	70	94.9 Å²	94.9	72%	0.722	51%	0.506	S	S	*	.			trans	-178.9	125.9	174.3	0	0	0	0	0	116.5
111	E	35.2	Very low	38.8	Very low	118 Å²	118	93.9 Å²	93.9	55%	0.551	50%	0.5	S	S	*	.			trans	-91.8	138	171.9	-64.3	-179.8	166.5	0	0	110.4
112	V	37.7	Very low	38.8	Very low	66 Å²	66	91.5 Å²	91.5	40%	0.4	49%	0.492	S	S	.	.			trans	-110	122.1	176.2	179.5	0	0	0	0	109.9
113	A	38.4	Very low	38.8	Very low	11 Å²	11	92.9 Å²	92.9	9%	0.091	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132	-178.6	0	0	0	0	0	112.4	L56 C63	L56-A113 HydrophobicContact CD2-CB 3.44Å; L56-A113 VanDerWaalsContact CD2-CB 3.44Å; C63-A113 PolarHBondContact N-O 3.17Å
114	I	39.8	Very low	39.6	Very low	41 Å²	41	93.2 Å²	93.2	21%	0.21	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.4	175	-53.6	-177.5	0	0	0	108
115	V	41.4	Very low	39.7	Very low	8 Å²	8	92 Å²	92	5%	0.048	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.5	-174.6	176.4	0	0	0	0	110.1	L56 V62 C63 V64 A117 V139	L56-V115 HydrophobicContact CD2-CG2 4.13Å; V62-V115 HydrophobicContact CG1-CB 4.13Å; V62-V115 HydrophobicContact CG1-CG2 3.63Å; C63-V115 PolarHBondContact O-N 2.8Å; V64-V115 VanDerWaalsContact CA-O 3.29Å; V64-V115 WeakPolarHBondContact CA-O 3.17Å; V64-V115 HydrophobicContact CG2-CB 4.39Å; V115-A117 PolarHBondContact O-N 2.73Å; V115-A117 VanDerWaalsContact O-N 3.17Å; V115-V139 HydrophobicContact CG1-CG1 3.47Å; V115-V139 VanDerWaalsContact CG1-CG1 3.47Å
116	K	38.7	Very low	40.3	Very low	78 Å²	78	93 Å²	93	34%	0.339	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	87.7	175	-177.6	162.1	-172.9	148.3	0	109.9	E66 H140	E66-K116 WeakPolarHBondContact O-CE 3.41Å; E66-K116 PolarHBondContact O-NZ 3.37Å; K116-H140 HydrophobicContact CB-CB 4.18Å; K116-H140 PolarHBondContact N-O 2.83Å; K116-H140 WeakPolarHBondContact O-CA 3.29Å; K116-H140 VanDerWaalsContact O-CB 3.31Å; K116-H140 WeakPolarHBondContact O-CB 3.46Å; K116-H140 PolarHBondContact O-N 3.5Å
117	A	37.9	Very low	40.5	Very low	4 Å²	4	93.1 Å²	93.1	3%	0.033	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.9	171.8	0	0	0	0	0	110.6	V64 V115 V119 I121	V64-A117 HydrophobicContact CG1-CB 3.56Å; V115-A117 PolarHBondContact O-N 2.73Å; V115-A117 VanDerWaalsContact O-N 3.17Å; A117-V119 VanDerWaalsContact C-N 3.3Å; A117-V119 VanDerWaalsContact CB-O 3.26Å; A117-V119 WeakPolarHBondContact CB-O 3.38Å; A117-I121 HydrophobicContact CB-CD1 4.49Å; A117-I121 HydrophobicContact CB-CG1 4.49Å
118	H	41.6	Very low	40.8	Very low	115 Å²	115	91.4 Å²	91.4	53%	0.532	49%	0.493	S	S	.	.	S	Bend	trans	-89	2.9	170.9	-81.7	-75.4	0	0	0	113.3	H140	H118-H140 AromaticContact CD2-CE1 3.34Å; H118-H140 PolarHBondContact CD2-CE1 3Å; H118-H140 AromaticContact CD2-ND1 3.37Å; H118-H140 PolarHBondContact CD2-ND1 3.01Å; H118-H140 AromaticContact NE2-CE1 3.4Å; H118-H140 PolarHBondContact NE2-CE1 3.39Å; H118-H140 AromaticContact NE2-ND1 3.64Å
119	V	44.8	Very low	40.8	Very low	72 Å²	72	92 Å²	92	44%	0.436	50%	0.496	S	S	.	.	S	Bend	trans	-156	138.3	-179.1	-173.1	0	0	0	0	106.3	A117 P137	A117-V119 VanDerWaalsContact C-N 3.3Å; A117-V119 VanDerWaalsContact CB-O 3.26Å; A117-V119 WeakPolarHBondContact CB-O 3.38Å; V119-P137 HydrophobicContact CB-CB 3.89Å; V119-P137 HydrophobicContact CB-CG 4.44Å; V119-P137 HydrophobicContact CG2-CB 3.82Å
120	P	41.5	Very low	41.2	Very low	112 Å²	112	90.4 Å²	90.4	73%	0.727	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-57.8	139	170.9	23.6	-33.7	0	0	0	111.4
121	I	41.2	Very low	41.3	Very low	50 Å²	50	92.4 Å²	92.4	26%	0.256	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-94.4	126.9	179	-58.1	175.1	0	0	0	107.5	A117 F125 V139	A117-I121 HydrophobicContact CB-CD1 4.49Å; A117-I121 HydrophobicContact CB-CG1 4.49Å; I121-F125 HydrophobicContact CG2-CB 3.55Å; I121-F125 HydrophobicContact CG2-CD1 3.93Å; I121-F125 HydrophobicContact CG2-CD2 3.54Å; I121-F125 HydrophobicContact CG2-CE1 4.48Å; I121-F125 HydrophobicContact CG2-CE2 4.1Å; I121-F125 HydrophobicContact CG2-CG 3.43Å; I121-F125 VanDerWaalsContact CG2-CG 3.43Å; I121-V139 HydrophobicContact CD1-CG1 4.46Å; I121-V139 HydrophobicContact CD1-CG2 3.96Å
122	P	46.4	Very low	41.4	Very low	88 Å²	88	91.6 Å²	91.6	57%	0.571	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-67.3	142.3	174.6	-18.5	31.7	0	0	0	111.7	E124 F125	P122-E124 PolarHBondContact O-N 3.27Å; P122-E124 VanDerWaalsContact O-N 3.1Å; P122-F125 WeakPolarHBondContact O-CB 3.49Å; P122-F125 PolarHBondContact O-N 3.32Å
123	D	42.9	Very low	41.5	Very low	144 Å²	144	95.3 Å²	95.3	77%	0.77	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-59.2	-26.8	-177.9	-61.9	-41.3	0	0	0	113.5	F125 L126	D123-F125 PolarHBondContact O-N 3.33Å; D123-L126 PolarHBondContact O-N 3.49Å
124	E	51.2	Low	41.4	Very low	159 Å²	159	101 Å²	101	74%	0.743	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-55.9	-13.7	172.4	-57.9	-170.5	155.7	0	0	114.6	P122 L126	P122-E124 PolarHBondContact O-N 3.27Å; P122-E124 VanDerWaalsContact O-N 3.1Å; E124-L126 VanDerWaalsContact C-N 3.34Å
125	F	43	Very low	41.5	Very low	76 Å²	76	103.2 Å²	103.2	33%	0.333	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-68	-27.4	178	-173.2	-83.3	0	0	0	113.5	I121 P122 D123 W136	I121-F125 HydrophobicContact CG2-CB 3.55Å; I121-F125 HydrophobicContact CG2-CD1 3.93Å; I121-F125 HydrophobicContact CG2-CD2 3.54Å; I121-F125 HydrophobicContact CG2-CE1 4.48Å; I121-F125 HydrophobicContact CG2-CE2 4.1Å; I121-F125 HydrophobicContact CG2-CG 3.43Å; I121-F125 VanDerWaalsContact CG2-CG 3.43Å; P122-F125 WeakPolarHBondContact O-CB 3.49Å; P122-F125 PolarHBondContact O-N 3.32Å; D123-F125 PolarHBondContact O-N 3.33Å; F125-W136 HydrophobicContact CD2-CE3 4.29Å; F125-W136 AromaticContact CD2-CH2 3.94Å; F125-W136 HydrophobicContact CD2-CH2 3.94Å; F125-W136 AromaticContact CD2-CZ3 3.73Å; F125-W136 HydrophobicContact CD2-CZ3 3.73Å; F125-W136 HydrophobicContact CE2-CD2 4.47Å; F125-W136 AromaticContact CE2-CE3 3.51Å; F125-W136 HydrophobicContact CE2-CE3 3.51Å; F125-W136 AromaticContact CE2-CH2 3.82Å; F125-W136 HydrophobicContact CE2-CH2 3.82Å; F125-W136 AromaticContact CE2-CZ3 3.12Å; F125-W136 HydrophobicContact CE2-CZ3 3.12Å; F125-W136 HydrophobicContact CZ-CE3 4.18Å; F125-W136 HydrophobicContact CZ-CH2 4.49Å; F125-W136 AromaticContact CZ-CZ3 3.63Å; F125-W136 HydrophobicContact CZ-CZ3 3.63Å
126	L	46.3	Very low	41.8	Very low	121 Å²	121	108 Å²	108	63%	0.634	56%	0.561	S	S	*	*	S	Bend	trans	-88.5	-24.4	-173.5	-66.8	172.1	0	0	0	113.6	D123 E124	D123-L126 PolarHBondContact O-N 3.49Å; E124-L126 VanDerWaalsContact C-N 3.34Å
127	D	40.5	Very low	41.6	Very low	155 Å²	155	106.7 Å²	106.7	83%	0.829	56%	0.56	S	S	*	*	S	Bend	trans	-105.3	12.2	-166.9	-78.5	-20.6	0	0	0	115.6
128	S	38.8	Very low	41.6	Very low	51 Å²	51	107.9 Å²	107.9	36%	0.357	57%	0.57	S	S	.	*			trans	-142.6	127.3	-179	66.4	0	0	0	0	116.7	K130	S128-K130 PolarHBondContact O-N 3.16Å; S128-K130 WeakPolarHBondContact OG-CD 3.26Å
129	E	38.5	Very low	41.3	Very low	212 Å²	212	103.2 Å²	103.2	99%	0.991	55%	0.549	S	S	*	.			trans	-67.7	28.7	175.3	-57.8	-174	132.3	0	0	114
130	K	42.8	Very low	40.9	Very low	147 Å²	147	102.2 Å²	102.2	64%	0.639	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-76.3	141.7	-173.5	-70.8	172.3	-171.5	157.6	0	111.3	S128	S128-K130 PolarHBondContact O-N 3.16Å; S128-K130 WeakPolarHBondContact OG-CD 3.26Å
131	P	38.8	Very low	40.5	Very low	113 Å²	113	99.6 Å²	99.6	73%	0.734	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-65.3	136.4	178.5	26	-33.7	0	0	0	112.2	R133	P131-R133 PolarHBondContact O-N 3.46Å
132	I	37.9	Very low	40.4	Very low	101 Å²	101	99.8 Å²	99.8	52%	0.518	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-57.8	126.4	-177.5	-56.9	168	0	0	0	110.6	W136	I132-W136 HydrophobicContact CG2-CD2 4.04Å; I132-W136 HydrophobicContact CG2-CE3 4.16Å; I132-W136 HydrophobicContact CG2-CG 4.27Å
133	R	39	Very low	39.8	Very low	144 Å²	144	100.2 Å²	100.2	54%	0.543	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-94	159.9	177.2	-66.3	168.6	55.7	120.3	0.8	111.3	P131 D135	P131-R133 PolarHBondContact O-N 3.46Å; R133-D135 WeakPolarHBondContact CB-OD1 2.99Å; R133-D135 IonicContact CZ-OD2 3.95Å; R133-D135 IonicContact NE-OD1 2.73Å; R133-D135 PolarHBondContact NE-OD1 3.17Å; R133-D135 IonicContact NE-OD2 2.91Å; R133-D135 PolarHBondContact NE-OD2 2.8Å; R133-D135 IonicContact NH2-OD2 3.68Å; R133-D135 PolarHBondContact NH2-OD2 2.67Å; R133-D135 PolarHBondContact O-N 3Å
134	S	37.4	Very low	39.5	Very low	131 Å²	131	94.5 Å²	94.5	92%	0.916	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.8	-176.2	53.6	0	0	0	0	115.2
135	D	41.1	Very low	38.6	Very low	87 Å²	87	91.4 Å²	91.4	47%	0.465	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	1.5	-178.7	43.5	17.6	0	0	0	113.1	R133	R133-D135 WeakPolarHBondContact CB-OD1 2.99Å; R133-D135 IonicContact CZ-OD2 3.95Å; R133-D135 IonicContact NE-OD1 2.73Å; R133-D135 PolarHBondContact NE-OD1 3.17Å; R133-D135 IonicContact NE-OD2 2.91Å; R133-D135 PolarHBondContact NE-OD2 2.8Å; R133-D135 IonicContact NH2-OD2 3.68Å; R133-D135 PolarHBondContact NH2-OD2 2.67Å; R133-D135 PolarHBondContact O-N 3Å
136	W	46.7	Very low	38	Very low	109 Å²	109	92.5 Å²	92.5	41%	0.413	49%	0.487	S	S	.	.			trans	-72.4	140.1	-173.7	-75.3	36.5	0	0	0	113.7	F125 I132	F125-W136 HydrophobicContact CD2-CE3 4.29Å; F125-W136 AromaticContact CD2-CH2 3.94Å; F125-W136 HydrophobicContact CD2-CH2 3.94Å; F125-W136 AromaticContact CD2-CZ3 3.73Å; F125-W136 HydrophobicContact CD2-CZ3 3.73Å; F125-W136 HydrophobicContact CE2-CD2 4.47Å; F125-W136 AromaticContact CE2-CE3 3.51Å; F125-W136 HydrophobicContact CE2-CE3 3.51Å; F125-W136 AromaticContact CE2-CH2 3.82Å; F125-W136 HydrophobicContact CE2-CH2 3.82Å; F125-W136 AromaticContact CE2-CZ3 3.12Å; F125-W136 HydrophobicContact CE2-CZ3 3.12Å; F125-W136 HydrophobicContact CZ-CE3 4.18Å; F125-W136 HydrophobicContact CZ-CH2 4.49Å; F125-W136 AromaticContact CZ-CZ3 3.63Å; F125-W136 HydrophobicContact CZ-CZ3 3.63Å; I132-W136 HydrophobicContact CG2-CD2 4.04Å; I132-W136 HydrophobicContact CG2-CE3 4.16Å; I132-W136 HydrophobicContact CG2-CG 4.27Å
137	P	35.7	Very low	37.2	Very low	49 Å²	49	93.5 Å²	93.5	32%	0.318	49%	0.489	S	S	.	.			trans	-70.2	152.8	-179.3	28.9	-34.8	0	0	0	112.9	V119 V139	V119-P137 HydrophobicContact CB-CB 3.89Å; V119-P137 HydrophobicContact CB-CG 4.44Å; V119-P137 HydrophobicContact CG2-CB 3.82Å; P137-V139 PolarHBondContact O-N 3.44Å; P137-V139 VanDerWaalsContact O-N 3.11Å
138	A	37.6	Very low	37.2	Very low	30 Å²	30	89.1 Å²	89.1	25%	0.248	48%	0.481	C	S	.	.			trans	-79.3	93.7	176	0	0	0	0	0	111
139	V	34.9	Very low	36.7	Very low	16 Å²	16	96.6 Å²	96.6	10%	0.097	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.2	172	-172.1	0	0	0	0	110.2	V115 I121 P137 I141 L160	V115-V139 HydrophobicContact CG1-CG1 3.47Å; V115-V139 VanDerWaalsContact CG1-CG1 3.47Å; I121-V139 HydrophobicContact CD1-CG1 4.46Å; I121-V139 HydrophobicContact CD1-CG2 3.96Å; P137-V139 PolarHBondContact O-N 3.44Å; P137-V139 VanDerWaalsContact O-N 3.11Å; V139-I141 HydrophobicContact CG1-CG1 4.26Å; V139-L160 HydrophobicContact CB-CD1 3.77Å; V139-L160 WeakPolarHBondContact O-CD1 3.28Å; V139-L160 VanDerWaalsContact O-CG 3.23Å; V139-L160 WeakPolarHBondContact O-CG 3.24Å
140	H	37.4	Very low	36.1	Very low	51 Å²	51	95.7 Å²	95.7	24%	0.236	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111	165	-62	82.5	0	0	0	109.3	K116 H118	K116-H140 HydrophobicContact CB-CB 4.18Å; K116-H140 PolarHBondContact N-O 2.83Å; K116-H140 WeakPolarHBondContact O-CA 3.29Å; K116-H140 VanDerWaalsContact O-CB 3.31Å; K116-H140 WeakPolarHBondContact O-CB 3.46Å; K116-H140 PolarHBondContact O-N 3.5Å; H118-H140 AromaticContact CD2-CE1 3.34Å; H118-H140 PolarHBondContact CD2-CE1 3Å; H118-H140 AromaticContact CD2-ND1 3.37Å; H118-H140 PolarHBondContact CD2-ND1 3.01Å; H118-H140 AromaticContact NE2-CE1 3.4Å; H118-H140 PolarHBondContact NE2-CE1 3.39Å; H118-H140 AromaticContact NE2-ND1 3.64Å
141	I	33.3	Very low	35.5	Very low	57 Å²	57	91.2 Å²	91.2	29%	0.292	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.7	175.6	-62.5	163.5	0	0	0	107.7	F49 L56 V139	F49-I141 HydrophobicContact CE2-CD1 4.46Å; L56-I141 HydrophobicContact CD1-CD1 3.72Å; L56-I141 HydrophobicContact CD1-CG1 3.89Å; L56-I141 HydrophobicContact CD1-CG2 3.89Å; V139-I141 HydrophobicContact CG1-CG1 4.26Å
142	S	37.5	Very low	35	Very low	54 Å²	54	91.6 Å²	91.6	38%	0.378	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115	172.9	-53.7	0	0	0	0	108	C144	S142-C144 PolarHBondContact O-N 2.92Å
143	E	35	Very low	34.6	Very low	97 Å²	97	92.7 Å²	92.7	45%	0.453	48%	0.484	S	S	.	.			trans	-77.8	122	178.6	-65.8	174.5	171.1	0	0	109.8	F145	E143-F145 HydrophobicContact CB-CD2 4.21Å; E143-F145 HydrophobicContact CB-CE2 3.58Å; E143-F145 HydrophobicContact CB-CZ 4.11Å; E143-F145 HydrophobicContact CG-CE2 4.41Å; E143-F145 WeakPolarHBondContact OE2-CE2 3.43Å; E143-F145 WeakPolarHBondContact OE2-CZ 3.34Å
144	C	35.3	Very low	34.2	Very low	25 Å²	25	91.9 Å²	91.9	17%	0.169	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.9	170.4	-169.1	0	0	0	0	108.6	S142	S142-C144 PolarHBondContact O-N 2.92Å
145	F	32.1	Very low	33.6	Very low	93 Å²	93	89.2 Å²	89.2	41%	0.408	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.4	173.3	-67.9	-80.8	0	0	0	109.9	E143 A151 K152	E143-F145 HydrophobicContact CB-CD2 4.21Å; E143-F145 HydrophobicContact CB-CE2 3.58Å; E143-F145 HydrophobicContact CB-CZ 4.11Å; E143-F145 HydrophobicContact CG-CE2 4.41Å; E143-F145 WeakPolarHBondContact OE2-CE2 3.43Å; E143-F145 WeakPolarHBondContact OE2-CZ 3.34Å; F145-A151 CarbonylContact O-C 3.54Å; F145-A151 WeakPolarHBondContact O-CA 3.47Å; F145-K152 PolarHBondContact O-N 2.73Å
146	V	32	Very low	33.1	Very low	99 Å²	99	89.7 Å²	89.7	60%	0.6	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.7	172.6	-177.9	0	0	0	0	108.2	G148	V146-G148 VanDerWaalsContact CG1-O 3.24Å; V146-G148 WeakPolarHBondContact CG1-O 3.48Å
147	E	29.3	Very low	32.2	Very low	143 Å²	143	91 Å²	91	67%	0.668	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	88.9	170.7	-79.3	-170.5	135.8	0	0	109.1	R150	E147-R150 PolarHBondContact N-O 3.21Å; E147-R150 PolarHBondContact O-N 2.87Å
148	G	40.9	Very low	32.2	Very low	63 Å²	63	96 Å²	96	65%	0.649	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-134.8	-176.9	0	0	0	0	0	112.1	V146 R150	V146-G148 VanDerWaalsContact CG1-O 3.24Å; V146-G148 WeakPolarHBondContact CG1-O 3.48Å; G148-R150 PolarHBondContact O-N 3.4Å
149	E	27.8	Very low	31.9	Very low	208 Å²	208	97.5 Å²	97.5	97%	0.972	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	8.4	177.5	-59.8	177	158.6	0	0	114.2
150	R	25.3	Very low	32	Very low	193 Å²	193	98.9 Å²	98.9	73%	0.728	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	107.1	-166.8	-55.9	-177.6	72.5	153.1	6.1	111.8	E147 G148	E147-R150 PolarHBondContact N-O 3.21Å; E147-R150 PolarHBondContact O-N 2.87Å; G148-R150 PolarHBondContact O-N 3.4Å
151	A	30.7	Very low	32	Very low	53 Å²	53	106.1 Å²	106.1	44%	0.438	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.2	138.3	163.5	0	0	0	0	0	110.5	I71 F145	I71-A151 HydrophobicContact CD1-CB 4.3Å; F145-A151 CarbonylContact O-C 3.54Å; F145-A151 WeakPolarHBondContact O-CA 3.47Å
152	K	28.3	Very low	32.2	Very low	121 Å²	121	108.2 Å²	108.2	53%	0.526	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.5	99.5	-177.8	-144.6	-178	-168.1	178.3	0	110.5	F145 H154	F145-K152 PolarHBondContact O-N 2.73Å; K152-H154 PolarHBondContact O-N 2.75Å
153	L	28.9	Very low	32.3	Very low	123 Å²	123	108.3 Å²	108.3	64%	0.644	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.5	108.9	176.5	-80	161.1	0	0	0	110.8	G155	L153-G155 PolarHBondContact O-N 2.85Å
154	H	30.9	Very low	32.2	Very low	127 Å²	127	109.4 Å²	109.4	59%	0.588	58%	0.579	S	S	*	*			trans	-85	86.2	170.2	-94.7	-91.7	0	0	0	110.2	K152 S156	K152-H154 PolarHBondContact O-N 2.75Å; H154-S156 PolarHBondContact O-N 3.4Å
155	G	25.5	Very low	31.9	Very low	76 Å²	76	112.4 Å²	112.4	78%	0.784	60%	0.598	S	S	*	*			trans	-65.8	89.8	-179.6	0	0	0	0	0	113.8	L153	L153-G155 PolarHBondContact O-N 2.85Å
156	S	29	Very low	31.9	Very low	97 Å²	97	112 Å²	112	68%	0.678	61%	0.605	S	S	*	*			trans	-112.6	78.3	164.3	66.8	0	0	0	0	110.8	H154 R158	H154-S156 PolarHBondContact O-N 3.4Å; S156-R158 PolarHBondContact O-N 3.2Å; S156-R158 VanDerWaalsContact O-N 3.07Å
157	V	29.2	Very low	31.8	Very low	136 Å²	136	112.4 Å²	112.4	82%	0.824	61%	0.608	S	S	*	*			trans	-63.7	109.4	179.7	-175.6	0	0	0	0	109.9
158	R	34.4	Very low	31.8	Very low	155 Å²	155	111.3 Å²	111.3	59%	0.585	61%	0.605	S	S	*	*			trans	-138.2	124	173.7	-71.8	-171.5	175.6	-175.3	-0.3	111.1	S156	S156-R158 PolarHBondContact O-N 3.2Å; S156-R158 VanDerWaalsContact O-N 3.07Å
159	P	32.9	Very low	31.2	Very low	61 Å²	61	114.3 Å²	114.3	40%	0.396	61%	0.61	S	S	.	*			trans	-65	137.4	176.5	-20.6	32	0	0	0	112.1	R161 T162	P159-R161 PolarHBondContact O-N 3.22Å; P159-T162 PolarHBondContact O-N 2.94Å; P159-T162 PolarHBondContact O-OG1 3.04Å
160	L	35.4	Very low	31.3	Very low	44 Å²	44	112.2 Å²	112.2	23%	0.23	60%	0.598	C	S	.	*	G	3₁₀ helix	trans	-59.3	-15.5	176.3	-86.7	-173.2	0	0	0	114.7	F49 V139 T162 F163	F49-L160 HydrophobicContact CD2-CD2 4.07Å; F49-L160 HydrophobicContact CE2-CD2 3.61Å; F49-L160 HydrophobicContact CZ-CD2 4.48Å; V139-L160 HydrophobicContact CB-CD1 3.77Å; V139-L160 WeakPolarHBondContact O-CD1 3.28Å; V139-L160 VanDerWaalsContact O-CG 3.23Å; V139-L160 WeakPolarHBondContact O-CG 3.24Å; L160-T162 PolarHBondContact O-N 3Å; L160-F163 HydrophobicContact CD2-CD2 4.01Å; L160-F163 HydrophobicContact CD2-CE2 4.41Å; L160-F163 PolarHBondContact O-N 2.92Å
161	R	37.6	Very low	31.6	Very low	203 Å²	203	113.2 Å²	113.2	77%	0.766	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-60	-8.2	175.1	-57.7	-179.3	-175.7	167.1	2.6	114.1	P159	P159-R161 PolarHBondContact O-N 3.22Å
162	T	38.9	Very low	31.7	Very low	102 Å²	102	118.4 Å²	118.4	63%	0.626	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-93.1	-9.2	-176.2	-28.7	0	0	0	0	113.9	P159 L160	P159-T162 PolarHBondContact O-N 2.94Å; P159-T162 PolarHBondContact O-OG1 3.04Å; L160-T162 PolarHBondContact O-N 3Å
163	F	38.4	Very low	31.8	Very low	55 Å²	55	115.4 Å²	115.4	24%	0.241	62%	0.62	C	S	.	*	S	Bend	trans	-108.2	6.6	-166.8	-63.3	-84.9	0	0	0	115.9	E45 L160	E45-F163 HydrophobicContact CB-CE1 4.35Å; L160-F163 HydrophobicContact CD2-CD2 4.01Å; L160-F163 HydrophobicContact CD2-CE2 4.41Å; L160-F163 PolarHBondContact O-N 2.92Å
164	L	33.5	Very low	32	Very low	121 Å²	121	113.1 Å²	113.1	63%	0.634	62%	0.619	S	S	*	*	S	Bend	trans	-98.5	146.6	179.5	-76.5	158.9	0	0	0	112.4
165	P	29.5	Very low	32.1	Very low	87 Å²	87	114.6 Å²	114.6	57%	0.565	63%	0.631	S	S	*	*			trans	-68.9	149.6	-171.1	26	-34.2	0	0	0	114.2	T167	P165-T167 VanDerWaalsContact C-N 3.34Å; P165-T167 PolarHBondContact O-N 3.44Å
166	P	31.2	Very low	32.8	Very low	86 Å²	86	117.7 Å²	117.7	56%	0.558	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	63.4	-168.3	36.9	-38.8	0	0	0	113.7
167	T	31	Very low	33.1	Very low	107 Å²	107	120.4 Å²	120.4	66%	0.656	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-2.7	164.1	33.2	0	0	0	0	113.2	P165	P165-T167 VanDerWaalsContact C-N 3.34Å; P165-T167 PolarHBondContact O-N 3.44Å
168	I	28.9	Very low	33.6	Very low	119 Å²	119	122.3 Å²	122.3	61%	0.61	64%	0.642	S	S	*	*	S	Bend	trans	-120	121.5	174.4	-47.1	178.2	0	0	0	109.6	F170	I168-F170 HydrophobicContact CB-CD2 4.46Å; I168-F170 HydrophobicContact CB-CE2 4.25Å; I168-F170 HydrophobicContact CG2-CD2 3.85Å; I168-F170 HydrophobicContact CG2-CE2 3.33Å; I168-F170 HydrophobicContact CG2-CZ 3.82Å; I168-F170 PolarHBondContact O-N 2.9Å; I168-F170 VanDerWaalsContact O-N 3.1Å
169	V	27	Very low	33.8	Very low	126 Å²	126	122.7 Å²	122.7	76%	0.764	66%	0.655	S	S	*	*			trans	-81.5	91.1	-173.9	-176.8	0	0	0	0	111
170	F	30.1	Very low	34.1	Very low	164 Å²	164	126 Å²	126	72%	0.719	67%	0.674	S	S	*	*			trans	-112	117.9	163.4	-63.7	-60.5	0	0	0	110.3	I168	I168-F170 HydrophobicContact CB-CD2 4.46Å; I168-F170 HydrophobicContact CB-CE2 4.25Å; I168-F170 HydrophobicContact CG2-CD2 3.85Å; I168-F170 HydrophobicContact CG2-CE2 3.33Å; I168-F170 HydrophobicContact CG2-CZ 3.82Å; I168-F170 PolarHBondContact O-N 2.9Å; I168-F170 VanDerWaalsContact O-N 3.1Å
171	R	31.9	Very low	34	Very low	214 Å²	214	129.1 Å²	129.1	81%	0.808	70%	0.697	S	S	*	*			trans	-88.4	132.5	175.4	-77.6	176.8	160.9	141.2	-9.6	109.5
172	N	33	Very low	33.7	Very low	162 Å²	162	127.9 Å²	127.9	87%	0.866	70%	0.7	S	S	*	*			trans	-53.2	144.9	-174.1	-57.4	-0.6	0	0	0	113.3
173	A	30.6	Very low	33.5	Very low	59 Å²	59	128.6 Å²	128.6	49%	0.488	71%	0.706	S	S	.	*			trans	-147.7	29.9	176.9	0	0	0	0	0	113	R501	A173-R501 PolarHBondContact O-NH1 2.94Å
174	A	32.3	Very low	33.1	Very low	74 Å²	74	133.7 Å²	133.7	61%	0.612	73%	0.731	S	S	*	*			trans	-97.9	161	153	0	0	0	0	0	107.2
175	D	34	Very low	33	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	74%	0.74	S	S	*	*	S	Bend	trans	81.4	45.3	-176.1	-44.3	-16	0	0	0	116.2
176	V	40.6	Very low	33	Very low	141 Å²	141	136 Å²	136	86%	0.855	74%	0.744	S	S	*	*			trans	-146.1	98.5	146.4	-172.7	0	0	0	0	108.8
177	D	34.1	Very low	32.8	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	76%	0.757	S	S	*	*			trans	-83	156.3	159.2	-67	-55	0	0	0	110.1
178	E	40.5	Very low	32.9	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	76%	0.761	S	S	*	*			trans	136.7	124.9	166.6	-80.5	-74.2	117.6	0	0	109.8	V180	E178-V180 VanDerWaalsContact C-N 3.33Å; E178-V180 PolarHBondContact O-N 2.59Å
179	D	37.5	Very low	32.8	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	77%	0.772	S	S	*	*			trans	-70.9	83.8	177.2	-72	-68	0	0	0	110.8	P181	D179-P181 WeakPolarHBondContact O-CD 3.09Å
180	V	39.3	Very low	33.2	Very low	130 Å²	130	143.1 Å²	143.1	79%	0.788	78%	0.776	S	S	*	*			trans	-64.5	115.8	171	-179.2	0	0	0	0	108.7	E178	E178-V180 VanDerWaalsContact C-N 3.33Å; E178-V180 PolarHBondContact O-N 2.59Å
181	P	33.6	Very low	33.3	Very low	110 Å²	110	138.7 Å²	138.7	71%	0.714	78%	0.777	S	S	*	*			trans	-62.7	159.6	178.5	-20.2	33.6	0	0	0	111.3	D179	D179-P181 WeakPolarHBondContact O-CD 3.09Å
182	E	32.4	Very low	33.7	Very low	178 Å²	178	134.5 Å²	134.5	83%	0.832	78%	0.777	S	S	*	*			trans	-54.3	133.8	175.3	-58.7	-172.5	137.8	0	0	110.5	E184	E182-E184 VanDerWaalsContact C-N 3.34Å; E182-E184 PolarHBondContact O-N 3.26Å
183	P	35.1	Very low	33.6	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	78%	0.782	S	S	*	*			trans	-70.4	96.6	171.3	29	-32.2	0	0	0	108.2	V185	P183-V185 WeakPolarHBondContact O-CG2 3.26Å; P183-V185 PolarHBondContact O-N 3.3Å
184	E	29.5	Very low	33.9	Very low	163 Å²	163	136.5 Å²	136.5	76%	0.762	79%	0.787	S	S	*	*			trans	-49.6	113.8	164.2	-71.9	-175.2	178.7	0	0	108.4	E182 N186	E182-E184 VanDerWaalsContact C-N 3.34Å; E182-E184 PolarHBondContact O-N 3.26Å; E184-N186 PolarHBondContact O-N 2.96Å
185	V	32.1	Very low	34.4	Very low	136 Å²	136	137.6 Å²	137.6	82%	0.824	79%	0.79	S	S	*	*			trans	-78.8	70.6	-176	-172.3	0	0	0	0	109.2	P183 I187	P183-V185 WeakPolarHBondContact O-CG2 3.26Å; P183-V185 PolarHBondContact O-N 3.3Å; V185-I187 PolarHBondContact O-N 2.9Å
186	N	27.6	Very low	35.4	Very low	121 Å²	121	132.6 Å²	132.6	65%	0.647	76%	0.763	S	S	*	*			trans	-68.7	121.4	175.3	-89.2	-51.4	0	0	0	110.4	E184 I188	E184-N186 PolarHBondContact O-N 2.96Å; N186-I188 PolarHBondContact O-N 3.43Å
187	I	28.6	Very low	36.2	Very low	164 Å²	164	130.4 Å²	130.4	84%	0.841	74%	0.743	S	S	*	*			trans	-72.5	95.2	-173.4	-57.6	169.4	0	0	0	109.8	V185	V185-I187 PolarHBondContact O-N 2.9Å
188	I	31.7	Very low	37.4	Very low	145 Å²	145	125 Å²	125	74%	0.744	71%	0.714	S	S	*	*			trans	-134.9	115.3	169.5	-54.7	-177.9	0	0	0	111.2	N186 S190	N186-I188 PolarHBondContact O-N 3.43Å; I188-S190 PolarHBondContact O-N 3.24Å
189	N	28.2	Very low	38.4	Very low	157 Å²	157	118.8 Å²	118.8	84%	0.84	69%	0.688	S	S	*	*			trans	-66.4	117	167.5	-76.4	-36.4	0	0	0	111
190	S	35.5	Very low	39.3	Very low	120 Å²	120	117.8 Å²	117.8	84%	0.839	68%	0.678	S	S	*	*			trans	-171.8	128	150.3	-82.7	0	0	0	0	111.2	I188	I188-S190 PolarHBondContact O-N 3.24Å
191	G	31.4	Very low	40.2	Very low	72 Å²	72	114.7 Å²	114.7	74%	0.742	66%	0.662	S	S	*	*			trans	-91.7	-148.2	176.2	0	0	0	0	0	113.1
192	P	41.2	Very low	41.1	Very low	126 Å²	126	118.4 Å²	118.4	82%	0.818	68%	0.675	S	S	*	*			cis	-147.1	125.9	3.8	37.3	-15.1	0	0	0	116.9
193	E	29.9	Very low	42.1	Very low	204 Å²	204	120 Å²	120	95%	0.953	68%	0.679	S	S	*	*	S	Bend	trans	-140.6	109.5	151	-77.1	-157.5	158	0	0	110.9
194	G	37.6	Very low	43.3	Very low	58 Å²	58	116 Å²	116	60%	0.598	66%	0.659	S	S	*	*			trans	73.4	64.6	173.2	0	0	0	0	0	115.3	I196	G194-I196 PolarHBondContact O-N 2.83Å
195	S	41.4	Very low	45	Very low	98 Å²	98	109.7 Å²	109.7	69%	0.685	63%	0.63	S	S	*	*			trans	-58.3	102.6	175.3	57.6	0	0	0	0	112.4	E197	S195-E197 PolarHBondContact O-N 3.44Å
196	I	55.5	Low	46.4	Very low	53 Å²	53	103.8 Å²	103.8	27%	0.272	60%	0.595	S	S	.	*			trans	-71.6	106.2	167.9	-71.2	158.1	0	0	0	108.1	G194 V207 Y225	G194-I196 PolarHBondContact O-N 2.83Å; I196-V207 HydrophobicContact CG2-CB 4.39Å; I196-V207 HydrophobicContact CG2-CG1 3.73Å; I196-V207 HydrophobicContact CG2-CG2 4.04Å; I196-Y225 HydrophobicContact CD1-CE1 4.44Å; I196-Y225 VanDerWaalsContact CD1-OH 3.25Å; I196-Y225 WeakPolarHBondContact CD1-OH 3.3Å
197	E	57.3	Low	48.2	Very low	96 Å²	96	98 Å²	98	45%	0.449	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.2	125.3	169	-71.6	179.3	147.7	0	0	109.4	S195 V199 K208	S195-E197 PolarHBondContact O-N 3.44Å; E197-V199 HydrophobicContact CB-CG2 4.3Å; E197-V199 PolarHBondContact O-N 3.28Å; E197-K208 HydrophobicContact CB-CB 4.21Å; E197-K208 HydrophobicContact CB-CD 4.28Å; E197-K208 VanDerWaalsContact O-CB 3.29Å; E197-K208 WeakPolarHBondContact O-CB 3.33Å; E197-K208 PolarHBondContact O-N 3.36Å; E197-K208 VanDerWaalsContact OE2-CD 3.32Å; E197-K208 WeakPolarHBondContact OE2-CD 3.29Å; E197-K208 WeakPolarHBondContact OE2-CE 3.4Å; E197-K208 IonicContact OE2-NZ 3.47Å; E197-K208 PolarHBondContact OE2-NZ 2.92Å
198	I	60.6	Low	49.8	Very low	41 Å²	41	93.2 Å²	93.2	21%	0.21	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	110.9	168.3	-66.4	153.1	0	0	0	107.6	L205 I222 A380	I198-L205 HydrophobicContact CG2-CB 4.31Å; I198-L205 HydrophobicContact CG2-CD2 3.8Å; I198-I222 HydrophobicContact CG2-CD1 3.98Å; I198-A380 HydrophobicContact CD1-CB 3.87Å; I198-A380 HydrophobicContact CG2-CB 4.18Å
199	V	59.6	Low	50.9	Low	44 Å²	44	90.3 Å²	90.3	27%	0.267	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.5	-179.4	-178.4	0	0	0	0	109.8	E197 S201 S206 K208 Y219	E197-V199 HydrophobicContact CB-CG2 4.3Å; E197-V199 PolarHBondContact O-N 3.28Å; V199-S201 PolarHBondContact O-N 3.05Å; V199-S206 PolarHBondContact N-O 3.39Å; V199-S206 PolarHBondContact O-N 3.41Å; V199-S206 PolarHBondContact O-OG 2.99Å; V199-S206 VanDerWaalsContact O-OG 3.09Å; V199-K208 HydrophobicContact CG2-CB 3.85Å; V199-K208 HydrophobicContact CG2-CD 3.89Å; V199-K208 HydrophobicContact CG2-CG 4.42Å; V199-Y219 HydrophobicContact CB-CE1 4.19Å; V199-Y219 HydrophobicContact CG1-CE1 4.18Å; V199-Y219 HydrophobicContact CG2-CE1 4.26Å
200	Q	57.2	Low	52.2	Low	141 Å²	141	86.7 Å²	86.7	66%	0.659	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.1	169	-63.7	-177.4	4.7	0	0	109.2	L205	Q200-L205 HydrophobicContact CG-CG 4.35Å
201	S	57.7	Low	53	Low	66 Å²	66	82 Å²	82	46%	0.462	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	160.6	173.8	179.8	0	0	0	0	109.8	V199 K203 G204	V199-S201 PolarHBondContact O-N 3.05Å; S201-K203 PolarHBondContact O-N 2.99Å; S201-G204 WeakPolarHBondContact CA-O 3.49Å; S201-G204 WeakPolarHBondContact CB-O 3.31Å; S201-G204 PolarHBondContact N-O 2.93Å; S201-G204 PolarHBondContact O-N 3.44Å; S201-G204 VanDerWaalsContact O-O 3.1Å
202	L	53	Low	54.1	Low	188 Å²	188	88.2 Å²	88.2	98%	0.984	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.2	175.7	-68.6	167.8	0	0	0	113.5
203	K	52.6	Low	54.7	Low	211 Å²	211	89.3 Å²	89.3	92%	0.917	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	1.7	177.6	-63.9	-173.5	177	-175.3	0	114.5	S201	S201-K203 PolarHBondContact O-N 2.99Å
204	G	60.9	Low	55.9	Low	31 Å²	31	83 Å²	83	32%	0.32	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.6	-172.6	-176.6	0	0	0	0	0	113.5	S201	S201-G204 WeakPolarHBondContact CA-O 3.49Å; S201-G204 WeakPolarHBondContact CB-O 3.31Å; S201-G204 PolarHBondContact N-O 2.93Å; S201-G204 PolarHBondContact O-N 3.44Å; S201-G204 VanDerWaalsContact O-O 3.1Å
205	L	65.5	Low	56.5	Low	31 Å²	31	90.1 Å²	90.1	16%	0.162	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.3	176.5	-67	85.5	0	0	0	110.3	I198 Q200 I222 K376 A380	I198-L205 HydrophobicContact CG2-CB 4.31Å; I198-L205 HydrophobicContact CG2-CD2 3.8Å; Q200-L205 HydrophobicContact CG-CG 4.35Å; L205-I222 HydrophobicContact CB-CD1 3.45Å; L205-I222 VanDerWaalsContact CB-CD1 3.45Å; L205-I222 HydrophobicContact CB-CG1 3.96Å; L205-I222 HydrophobicContact CD2-CD1 4.09Å; L205-I222 HydrophobicContact CG-CD1 4.39Å; L205-I222 PolarHBondContact O-N 2.94Å; L205-K376 HydrophobicContact CD1-CB 3.64Å; L205-K376 HydrophobicContact CD1-CD 3.91Å; L205-K376 HydrophobicContact CD1-CG 4.38Å; L205-A380 HydrophobicContact CD2-CB 3.96Å
206	S	62.6	Low	56.8	Low	12 Å²	12	87.4 Å²	87.4	8%	0.084	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.3	-177.3	52	0	0	0	0	111.7	V199 I220	V199-S206 PolarHBondContact N-O 3.39Å; V199-S206 PolarHBondContact O-N 3.41Å; V199-S206 PolarHBondContact O-OG 2.99Å; V199-S206 VanDerWaalsContact O-OG 3.09Å; S206-I220 CarbonylContact C-O 3.56Å; S206-I220 VanDerWaalsContact CA-O 3.26Å; S206-I220 WeakPolarHBondContact CA-O 3.49Å; S206-I220 WeakPolarHBondContact CB-O 3.46Å
207	V	64.5	Low	56.9	Low	0 Å²	0	88.2 Å²	88.2	0%	0	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	120	173.3	160.8	0	0	0	0	109.1	I196 Y219 I220 I222 Y225 Y226	I196-V207 HydrophobicContact CG2-CB 4.39Å; I196-V207 HydrophobicContact CG2-CG1 3.73Å; I196-V207 HydrophobicContact CG2-CG2 4.04Å; V207-Y219 WeakPolarHBondContact O-CA 3.38Å; V207-I220 PolarHBondContact N-O 2.84Å; V207-I220 PolarHBondContact O-N 3.3Å; V207-I222 HydrophobicContact CG2-CG1 4.37Å; V207-Y225 HydrophobicContact CB-CD2 4.41Å; V207-Y225 HydrophobicContact CB-CG 4.35Å; V207-Y225 HydrophobicContact CG1-CD2 3.99Å; V207-Y225 HydrophobicContact CG1-CE2 4.01Å; V207-Y225 HydrophobicContact CG1-CG 4.31Å; V207-Y225 HydrophobicContact CG2-CD1 4.09Å; V207-Y225 HydrophobicContact CG2-CG 4.09Å; V207-Y226 HydrophobicContact CG2-CE2 4.49Å
208	K	61.1	Low	57.2	Low	63 Å²	63	90.9 Å²	90.9	27%	0.274	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	104.8	174.5	-175.1	-175.7	161	-163.8	0	109.2	E197 V199 V217 Y219	E197-K208 HydrophobicContact CB-CB 4.21Å; E197-K208 HydrophobicContact CB-CD 4.28Å; E197-K208 VanDerWaalsContact O-CB 3.29Å; E197-K208 WeakPolarHBondContact O-CB 3.33Å; E197-K208 PolarHBondContact O-N 3.36Å; E197-K208 VanDerWaalsContact OE2-CD 3.32Å; E197-K208 WeakPolarHBondContact OE2-CD 3.29Å; E197-K208 WeakPolarHBondContact OE2-CE 3.4Å; E197-K208 IonicContact OE2-NZ 3.47Å; E197-K208 PolarHBondContact OE2-NZ 2.92Å; V199-K208 HydrophobicContact CG2-CB 3.85Å; V199-K208 HydrophobicContact CG2-CD 3.89Å; V199-K208 HydrophobicContact CG2-CG 4.42Å; K208-V217 HydrophobicContact CD-CG1 4.11Å; K208-V217 HydrophobicContact CG-CG1 3.33Å; K208-Y219 HydrophobicContact CB-CD1 4.43Å; K208-Y219 HydrophobicContact CB-CE1 4.27Å; K208-Y219 HydrophobicContact CD-CE1 4.37Å; K208-Y219 HydrophobicContact CG-CE1 4.09Å
209	K	55.9	Low	57.5	Low	85 Å²	85	95.4 Å²	95.4	37%	0.37	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.3	177.6	-170.3	168.2	-176.5	169.4	0	110.5	G211 K218	K209-G211 PolarHBondContact O-N 3.13Å; K209-K218 PolarHBondContact N-O 3.3Å; K209-K218 PolarHBondContact O-N 3.05Å
210	P	56.2	Low	57.8	Low	80 Å²	80	95.4 Å²	95.4	52%	0.519	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.8	168.3	27.8	-32.4	0	0	0	109.5
211	G	51.4	Low	58.5	Low	22 Å²	22	91.1 Å²	91.1	23%	0.227	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-69	149.3	176	0	0	0	0	0	111.8	K209 D213 G214 G216	K209-G211 PolarHBondContact O-N 3.13Å; G211-D213 PolarHBondContact O-N 3.46Å; G211-G214 PolarHBondContact O-N 3.01Å; G211-G214 VanDerWaalsContact O-N 3.12Å; G211-G216 PolarHBondContact N-O 2.87Å
212	K	53.7	Low	59.1	Low	202 Å²	202	88.7 Å²	88.7	88%	0.878	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-26	178.7	-79.6	-173.2	172.1	-176.5	0	113.1	G214	K212-G214 PolarHBondContact O-N 3.17Å
213	D	54.1	Low	59.9	Low	149 Å²	149	84.1 Å²	84.1	80%	0.797	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	6.1	-175.3	-39.9	-64	0	0	0	114.2	G211 K215	G211-D213 PolarHBondContact O-N 3.46Å; D213-K215 PolarHBondContact O-N 3.05Å
214	G	55.6	Low	60.7	Low	73 Å²	73	79.8 Å²	79.8	75%	0.753	43%	0.429	S	S	*	.	S	Bend	trans	66	-1.5	176.4	0	0	0	0	0	116.4	G211 K212	G211-G214 PolarHBondContact O-N 3.01Å; G211-G214 VanDerWaalsContact O-N 3.12Å; K212-G214 PolarHBondContact O-N 3.17Å
215	K	49.6	Very low	61.3	Low	206 Å²	206	79.3 Å²	79.3	90%	0.896	42%	0.418	S	S	*	.	S	Bend	trans	-124.1	20.1	-173.5	-75.5	-174.6	174.8	178.2	0	114.9	D213	D213-K215 PolarHBondContact O-N 3.05Å
216	G	48.2	Very low	61.9	Low	41 Å²	41	78.2 Å²	78.2	42%	0.423	41%	0.412	S	S	.	.			trans	-156.4	146	176.4	0	0	0	0	0	112.4	G211	G211-G216 PolarHBondContact N-O 2.87Å
217	V	57.9	Low	62.8	Low	71 Å²	71	79 Å²	79	43%	0.43	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.3	174.7	174.1	0	0	0	0	107.6	K208 Y219	K208-V217 HydrophobicContact CD-CG1 4.11Å; K208-V217 HydrophobicContact CG-CG1 3.33Å; V217-Y219 HydrophobicContact CB-CE2 4.35Å; V217-Y219 HydrophobicContact CG1-CD2 4.14Å; V217-Y219 HydrophobicContact CG1-CE2 3.64Å
218	K	64.5	Low	63.6	Low	152 Å²	152	79.8 Å²	79.8	66%	0.661	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	125.5	173.8	-67.6	-171.5	178.2	-175	0	109	K209	K209-K218 PolarHBondContact N-O 3.3Å; K209-K218 PolarHBondContact O-N 3.05Å
219	Y	65.5	Low	64.6	Low	135 Å²	135	81 Å²	81	53%	0.529	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.1	171.8	-66	-94.7	0	0	0	107.9	V199 V207 K208 V217	V199-Y219 HydrophobicContact CB-CE1 4.19Å; V199-Y219 HydrophobicContact CG1-CE1 4.18Å; V199-Y219 HydrophobicContact CG2-CE1 4.26Å; V207-Y219 WeakPolarHBondContact O-CA 3.38Å; K208-Y219 HydrophobicContact CB-CD1 4.43Å; K208-Y219 HydrophobicContact CB-CE1 4.27Å; K208-Y219 HydrophobicContact CD-CE1 4.37Å; K208-Y219 HydrophobicContact CG-CE1 4.09Å; V217-Y219 HydrophobicContact CB-CE2 4.35Å; V217-Y219 HydrophobicContact CG1-CD2 4.14Å; V217-Y219 HydrophobicContact CG1-CE2 3.64Å
220	I	65.4	Low	65.9	Low	44 Å²	44	79.6 Å²	79.6	23%	0.226	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130	179.3	-55.9	173	0	0	0	107.3	S206 V207 E224 Y225	S206-I220 CarbonylContact C-O 3.56Å; S206-I220 VanDerWaalsContact CA-O 3.26Å; S206-I220 WeakPolarHBondContact CA-O 3.49Å; S206-I220 WeakPolarHBondContact CB-O 3.46Å; V207-I220 PolarHBondContact N-O 2.84Å; V207-I220 PolarHBondContact O-N 3.3Å; I220-E224 HydrophobicContact CG2-CB 4Å; I220-Y225 HydrophobicContact CD1-CD2 4.44Å
221	P	73.7	Confident	67.1	Low	52 Å²	52	78.5 Å²	78.5	34%	0.338	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	143	172.9	-26.6	36.1	0	0	0	111.8	D223 E224 Y225	P221-D223 PolarHBondContact O-N 2.94Å; P221-E224 HydrophobicContact CB-CB 4.42Å; P221-E224 HydrophobicContact CB-CG 4.21Å; P221-E224 WeakPolarHBondContact CD-OE2 3.39Å; P221-E224 HydrophobicContact CG-CG 4.26Å; P221-E224 PolarHBondContact O-N 3.22Å; P221-Y225 PolarHBondContact O-N 2.81Å
222	I	70.5	Confident	68.4	Low	14 Å²	14	78.5 Å²	78.5	7%	0.072	41%	0.409	C	S	.	.	H	α-helix	trans	-53.8	-41.2	177.8	-78.3	-169	0	0	0	111	I198 L205 V207 E224 Y225 Y226 A380 L383	I198-I222 HydrophobicContact CG2-CD1 3.98Å; L205-I222 HydrophobicContact CB-CD1 3.45Å; L205-I222 VanDerWaalsContact CB-CD1 3.45Å; L205-I222 HydrophobicContact CB-CG1 3.96Å; L205-I222 HydrophobicContact CD2-CD1 4.09Å; L205-I222 HydrophobicContact CG-CD1 4.39Å; L205-I222 PolarHBondContact O-N 2.94Å; V207-I222 HydrophobicContact CG2-CG1 4.37Å; I222-E224 PolarHBondContact O-N 2.81Å; I222-Y225 PolarHBondContact O-N 2.83Å; I222-Y225 VanDerWaalsContact O-N 3.16Å; I222-Y226 HydrophobicContact CG2-CD2 3.89Å; I222-Y226 HydrophobicContact CG2-CE2 4.32Å; I222-Y226 WeakPolarHBondContact O-CD2 3.4Å; I222-Y226 PolarHBondContact O-N 2.85Å; I222-A380 HydrophobicContact CD1-CB 3.62Å; I222-L383 HydrophobicContact CG2-CD1 3.58Å
223	D	69.4	Low	69.6	Low	92 Å²	92	72.7 Å²	72.7	49%	0.492	39%	0.388	S	S	.	.	H	α-helix	trans	-63.9	-43.5	-176.3	-58.3	-28	0	0	0	112.1	P221 Y225 F227	P221-D223 PolarHBondContact O-N 2.94Å; D223-Y225 PolarHBondContact O-N 3.14Å; D223-F227 HydrophobicContact CB-CD2 3.9Å; D223-F227 HydrophobicContact CB-CE2 4.25Å; D223-F227 WeakPolarHBondContact O-CB 3.32Å; D223-F227 WeakPolarHBondContact O-CD2 3.34Å; D223-F227 PolarHBondContact O-N 3.29Å; D223-F227 WeakPolarHBondContact OD1-CE2 3.43Å
224	E	68.9	Low	70.6	Confident	121 Å²	121	71.5 Å²	71.5	57%	0.565	39%	0.386	S	S	*	.	H	α-helix	trans	-69	-20	176.5	-67.6	177.8	-161.9	0	0	113.9	I220 P221 I222	I220-E224 HydrophobicContact CG2-CB 4Å; P221-E224 HydrophobicContact CB-CB 4.42Å; P221-E224 HydrophobicContact CB-CG 4.21Å; P221-E224 WeakPolarHBondContact CD-OE2 3.39Å; P221-E224 HydrophobicContact CG-CG 4.26Å; P221-E224 PolarHBondContact O-N 3.22Å; I222-E224 PolarHBondContact O-N 2.81Å
225	Y	74.2	Confident	71.4	Confident	20 Å²	20	74.1 Å²	74.1	8%	0.078	38%	0.383	C	S	.	.	H	α-helix	trans	-86.6	-45.2	-179.5	-169.6	-96	0	0	0	112.2	I196 V207 I220 P221 I222 D223 Q389 R390	I196-Y225 HydrophobicContact CD1-CE1 4.44Å; I196-Y225 VanDerWaalsContact CD1-OH 3.25Å; I196-Y225 WeakPolarHBondContact CD1-OH 3.3Å; V207-Y225 HydrophobicContact CB-CD2 4.41Å; V207-Y225 HydrophobicContact CB-CG 4.35Å; V207-Y225 HydrophobicContact CG1-CD2 3.99Å; V207-Y225 HydrophobicContact CG1-CE2 4.01Å; V207-Y225 HydrophobicContact CG1-CG 4.31Å; V207-Y225 HydrophobicContact CG2-CD1 4.09Å; V207-Y225 HydrophobicContact CG2-CG 4.09Å; I220-Y225 HydrophobicContact CD1-CD2 4.44Å; P221-Y225 PolarHBondContact O-N 2.81Å; I222-Y225 PolarHBondContact O-N 2.83Å; I222-Y225 VanDerWaalsContact O-N 3.16Å; D223-Y225 PolarHBondContact O-N 3.14Å; Y225-Q389 HydrophobicContact CD1-CG 3.99Å; Y225-Q389 HydrophobicContact CD2-CG 4.15Å; Y225-Q389 HydrophobicContact CE1-CB 3.96Å; Y225-Q389 HydrophobicContact CE1-CG 3.71Å; Y225-Q389 HydrophobicContact CE2-CG 3.87Å; Y225-Q389 HydrophobicContact CG-CG 4.2Å; Y225-Q389 WeakPolarHBondContact O-CG 3.4Å; Y225-Q389 PolarHBondContact OH-OE1 2.95Å; Y225-R390 PolarHBondContact O-N 3.48Å
226	Y	77.5	Confident	72.6	Confident	8 Å²	8	68.1 Å²	68.1	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-92.7	-38.2	-176.1	-71.7	-81.4	0	0	0	113.7	V207 I222 L383 Q384 H387 R390	V207-Y226 HydrophobicContact CG2-CE2 4.49Å; I222-Y226 HydrophobicContact CG2-CD2 3.89Å; I222-Y226 HydrophobicContact CG2-CE2 4.32Å; I222-Y226 WeakPolarHBondContact O-CD2 3.4Å; I222-Y226 PolarHBondContact O-N 2.85Å; Y226-L383 HydrophobicContact CD1-CB 4.19Å; Y226-L383 HydrophobicContact CD2-CB 4.17Å; Y226-L383 HydrophobicContact CD2-CD1 4.17Å; Y226-L383 HydrophobicContact CE1-CB 4.06Å; Y226-L383 WeakPolarHBondContact CE1-O 3.27Å; Y226-L383 HydrophobicContact CE2-CB 4.03Å; Y226-L383 HydrophobicContact CG-CB 4.24Å; Y226-L383 HydrophobicContact CG-CD1 4.5Å; Y226-L383 HydrophobicContact CG-CD2 4.37Å; Y226-Q384 WeakPolarHBondContact OH-CA 3.34Å; Y226-H387 HydrophobicContact CD1-CB 4.49Å; Y226-R390 WeakPolarHBondContact O-CA 3.31Å; Y226-R390 PolarHBondContact O-N 2.96Å
227	F	82	Confident	73.6	Confident	28 Å²	28	72.3 Å²	72.3	12%	0.123	37%	0.372	C	S	.	.			trans	-90.5	154.9	-175.7	-52.2	-52.3	0	0	0	112	D223 R367 I368 L383 S404	D223-F227 HydrophobicContact CB-CD2 3.9Å; D223-F227 HydrophobicContact CB-CE2 4.25Å; D223-F227 WeakPolarHBondContact O-CB 3.32Å; D223-F227 WeakPolarHBondContact O-CD2 3.34Å; D223-F227 PolarHBondContact O-N 3.29Å; D223-F227 WeakPolarHBondContact OD1-CE2 3.43Å; F227-R367 HydrophobicContact CE1-CB 3.92Å; F227-R367 HydrophobicContact CZ-CB 3.98Å; F227-R367 HydrophobicContact CZ-CG 4.37Å; F227-I368 HydrophobicContact CD1-CD1 3.93Å; F227-I368 HydrophobicContact CD1-CG1 3.91Å; F227-I368 HydrophobicContact CE1-CD1 3.8Å; F227-I368 HydrophobicContact CE1-CG1 3.81Å; F227-L383 HydrophobicContact CE1-CD2 4.32Å; F227-L383 HydrophobicContact CZ-CD2 4.26Å; F227-S404 VanDerWaalsContact CA-OG 3.32Å; F227-S404 WeakPolarHBondContact CA-OG 3.49Å; F227-S404 VanDerWaalsContact CB-OG 3.29Å; F227-S404 WeakPolarHBondContact CB-OG 3.29Å
228	G	79.7	Confident	74.3	Confident	17 Å²	17	70 Å²	70	18%	0.175	36%	0.357	C	S	.	.			trans	-165.8	154.6	-175.5	0	0	0	0	0	112.7	M392 S403 S404	G228-M392 VanDerWaalsContact C-SD 3.58Å; G228-M392 WeakPolarHBondContact O-CG 3.49Å; G228-S403 CarbonylContact O-C 3.55Å; G228-S403 WeakPolarHBondContact O-CA 3.36Å; G228-S404 PolarHBondContact N-OG 2.83Å; G228-S404 PolarHBondContact O-N 3.28Å; G228-S404 PolarHBondContact O-OG 3.14Å
229	R	83.3	Confident	74.5	Confident	89 Å²	89	68.4 Å²	68.4	34%	0.336	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.7	179.3	177.7	175.9	161.7	142.2	2.3	108.9	D231 M392 F401 R402	R229-D231 IonicContact CZ-OD1 3.66Å; R229-D231 IonicContact NE-OD1 2.78Å; R229-D231 PolarHBondContact NE-OD1 3.24Å; R229-D231 VanDerWaalsContact NE-OD1 3.12Å; R229-D231 IonicContact NH2-OD1 3.87Å; R229-D231 PolarHBondContact NH2-OD1 2.92Å; R229-M392 VanDerWaalsContact C-CE 3.49Å; R229-F401 HydrophobicContact CG-CE2 3.69Å; R229-F401 HydrophobicContact CG-CZ 3.86Å; R229-R402 WeakPolarHBondContact CA-O 3.32Å
230	Q	82.1	Confident	74.9	Confident	55 Å²	55	66.9 Å²	66.9	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.9	175.8	170.3	-176.4	4.9	0	0	106.2	M392 F401 R402	Q230-M392 HydrophobicContact CB-CE 3.51Å; Q230-M392 VanDerWaalsContact N-CE 3.28Å; Q230-F401 WeakPolarHBondContact O-CD2 3.38Å; Q230-R402 HydrophobicContact CB-CB 4.27Å; Q230-R402 PolarHBondContact N-O 3.47Å; Q230-R402 PolarHBondContact O-N 3.23Å
231	D	82.1	Confident	75	Confident	58 Å²	58	66.1 Å²	66.1	31%	0.31	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-67	149.5	-179.3	-58.6	-56.5	0	0	0	110.3	R229 T558	R229-D231 IonicContact CZ-OD1 3.66Å; R229-D231 IonicContact NE-OD1 2.78Å; R229-D231 PolarHBondContact NE-OD1 3.24Å; R229-D231 VanDerWaalsContact NE-OD1 3.12Å; R229-D231 IonicContact NH2-OD1 3.87Å; R229-D231 PolarHBondContact NH2-OD1 2.92Å; D231-T558 PolarHBondContact OD2-OG1 3.39Å; D231-T558 VanDerWaalsContact OD2-OG1 3.13Å
232	G	78.5	Confident	74.7	Confident	22 Å²	22	71.1 Å²	71.1	23%	0.227	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-69.2	170.1	-176.7	0	0	0	0	0	112.3	T234 C399	G232-T234 PolarHBondContact O-N 3.36Å; G232-C399 CarbonylContact C-O 3.47Å; G232-C399 VanDerWaalsContact CA-O 3.26Å; G232-C399 WeakPolarHBondContact CA-O 3.44Å
233	N	79.7	Confident	74.8	Confident	80 Å²	80	70.8 Å²	70.8	43%	0.428	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-60.9	118.6	170.1	-173.3	12.8	0	0	0	109.8	D235 Y236 C399	N233-D235 PolarHBondContact O-N 3.18Å; N233-D235 WeakPolarHBondContact OD1-CB 3.48Å; N233-D235 PolarHBondContact OD1-N 2.95Å; N233-D235 VanDerWaalsContact OD1-N 3.13Å; N233-Y236 WeakPolarHBondContact O-CB 3.3Å; N233-Y236 PolarHBondContact O-N 3.49Å; N233-C399 PolarHBondContact N-O 3.45Å
234	T	74.4	Confident	75.2	Confident	123 Å²	123	73 Å²	73	76%	0.755	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.6	176.3	44.3	0	0	0	0	112.7	G232 Y236	G232-T234 PolarHBondContact O-N 3.36Å; T234-Y236 PolarHBondContact O-N 2.98Å
235	D	73.3	Confident	75.7	Confident	129 Å²	129	67.4 Å²	67.4	69%	0.69	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.1	-175.7	-47.4	-13.6	0	0	0	111.6	N233 V237	N233-D235 PolarHBondContact O-N 3.18Å; N233-D235 WeakPolarHBondContact OD1-CB 3.48Å; N233-D235 PolarHBondContact OD1-N 2.95Å; N233-D235 VanDerWaalsContact OD1-N 3.13Å; D235-V237 PolarHBondContact O-N 3.31Å
236	Y	74.1	Confident	76	Confident	80 Å²	80	70 Å²	70	31%	0.314	36%	0.36	S	S	.	.			trans	-81.6	101.9	-179.9	-176.8	-105.7	0	0	0	111.2	N233 T234 E238 L398 C399 H417	N233-Y236 WeakPolarHBondContact O-CB 3.3Å; N233-Y236 PolarHBondContact O-N 3.49Å; T234-Y236 PolarHBondContact O-N 2.98Å; Y236-E238 HydrophobicContact CD1-CG 4.17Å; Y236-E238 HydrophobicContact CE1-CG 3.32Å; Y236-E238 WeakPolarHBondContact CE1-OE1 3.28Å; Y236-E238 PolarHBondContact OH-OE1 3.43Å; Y236-L398 HydrophobicContact CE1-CB 3.66Å; Y236-L398 VanDerWaalsContact OH-CD2 3.26Å; Y236-L398 WeakPolarHBondContact OH-CD2 3.42Å; Y236-C399 HydrophobicContact CD1-CB 3.62Å; Y236-C399 HydrophobicContact CE1-CB 4.36Å; Y236-C399 HydrophobicContact CG-CB 4.09Å; Y236-H417 AromaticContact CE1-CE1 3.77Å
237	V	69.3	Low	76.3	Confident	129 Å²	129	69.7 Å²	69.7	78%	0.782	36%	0.358	S	S	*	.			trans	-99.7	122.7	176.9	-177	0	0	0	0	109.8	D235	D235-V237 PolarHBondContact O-N 3.31Å
238	E	73.6	Confident	76.3	Confident	22 Å²	22	69.1 Å²	69.1	10%	0.103	36%	0.359	C	S	.	.			trans	-96.7	147.5	168.1	-68.2	178.4	156.1	0	0	110.7	Y236 K240 L398 H417 S420 H422	Y236-E238 HydrophobicContact CD1-CG 4.17Å; Y236-E238 HydrophobicContact CE1-CG 3.32Å; Y236-E238 WeakPolarHBondContact CE1-OE1 3.28Å; Y236-E238 PolarHBondContact OH-OE1 3.43Å; E238-K240 PolarHBondContact O-N 3.24Å; E238-L398 WeakPolarHBondContact OE1-CD1 3.36Å; E238-H417 IonicContact OE1-CE1 2.67Å; E238-H417 PolarHBondContact OE1-CE1 2.95Å; E238-H417 IonicContact OE1-CG 3.44Å; E238-H417 IonicContact OE1-ND1 3.81Å; E238-H417 PolarHBondContact OE1-ND1 2.81Å; E238-H417 IonicContact OE2-CE1 3.52Å; E238-H417 IonicContact OE2-CG 3.69Å; E238-H417 IonicContact OE2-ND1 3.81Å; E238-H417 PolarHBondContact OE2-ND1 2.79Å; E238-S420 WeakPolarHBondContact OE2-CB 3.32Å; E238-H422 IonicContact OE1-CD2 3.76Å; E238-H422 PolarHBondContact OE1-CD2 3.04Å; E238-H422 IonicContact OE1-NE2 3.9Å
239	E	66.9	Low	76.4	Confident	119 Å²	119	71.6 Å²	71.6	56%	0.556	37%	0.37	S	S	*	.			trans	-67.6	103.2	164.1	-67.5	-171.7	-148.4	0	0	109.2	F243 R438	E239-F243 VanDerWaalsContact O-CE2 3.25Å; E239-F243 WeakPolarHBondContact O-CE2 3.33Å; E239-F243 VanDerWaalsContact O-CZ 3.27Å; E239-F243 WeakPolarHBondContact O-CZ 3.48Å; E239-R438 IonicContact OE2-CZ 3.56Å; E239-R438 IonicContact OE2-NH1 3.21Å; E239-R438 PolarHBondContact OE2-NH1 3.12Å; E239-R438 IonicContact OE2-NH2 2.66Å
240	K	75.1	Confident	76.4	Confident	103 Å²	103	69.6 Å²	69.6	45%	0.448	37%	0.369	S	S	.	.			trans	-91.5	130.1	171.2	-60.8	-167.9	178.2	-163.1	0	109.5	E238 M416 S419	E238-K240 PolarHBondContact O-N 3.24Å; K240-M416 PolarHBondContact NZ-O 3.13Å; K240-S419 WeakPolarHBondContact CA-O 3.3Å
241	G	67	Low	76.4	Confident	28 Å²	28	71.1 Å²	71.1	29%	0.289	38%	0.377	S	S	.	.			trans	-165.4	177.7	-175	0	0	0	0	0	113	F243 S419	G241-F243 VanDerWaalsContact C-N 3.26Å; G241-F243 WeakPolarHBondContact O-CD2 3.31Å; G241-F243 PolarHBondContact O-N 3.32Å; G241-S419 PolarHBondContact N-O 2.83Å
242	D	68.5	Low	76.3	Confident	157 Å²	157	72.3 Å²	72.3	84%	0.84	38%	0.377	S	S	*	.			trans	-77.8	77.2	179.4	-69.7	-21.5	0	0	0	110.7
243	F	72.4	Confident	76.4	Confident	6 Å²	6	75.8 Å²	75.8	3%	0.026	39%	0.389	C	S	.	.			trans	-79.6	123.8	179.1	-64.2	-62.3	0	0	0	111.4	E239 G241 F245 Y255 S419 S420 N421 A437 R438	E239-F243 VanDerWaalsContact O-CE2 3.25Å; E239-F243 WeakPolarHBondContact O-CE2 3.33Å; E239-F243 VanDerWaalsContact O-CZ 3.27Å; E239-F243 WeakPolarHBondContact O-CZ 3.48Å; G241-F243 VanDerWaalsContact C-N 3.26Å; G241-F243 WeakPolarHBondContact O-CD2 3.31Å; G241-F243 PolarHBondContact O-N 3.32Å; F243-F245 HydrophobicContact CB-CD2 4.37Å; F243-F245 HydrophobicContact CB-CE1 4.37Å; F243-F245 HydrophobicContact CB-CE2 3.49Å; F243-F245 VanDerWaalsContact CB-CE2 3.49Å; F243-F245 HydrophobicContact CB-CZ 3.49Å; F243-F245 VanDerWaalsContact CB-CZ 3.49Å; F243-F245 HydrophobicContact CG-CZ 4.28Å; F243-Y255 CarbonylContact O-C 3.58Å; F243-Y255 WeakPolarHBondContact O-CA 3.28Å; F243-S419 WeakPolarHBondContact CD2-O 3.42Å; F243-S419 VanDerWaalsContact CE2-O 3.29Å; F243-S419 WeakPolarHBondContact CE2-O 3.34Å; F243-S420 VanDerWaalsContact CD2-C 3.42Å; F243-N421 HydrophobicContact CD1-CB 3.92Å; F243-N421 HydrophobicContact CD2-CB 4.37Å; F243-N421 HydrophobicContact CE1-CB 3.73Å; F243-N421 HydrophobicContact CE2-CB 4.21Å; F243-N421 HydrophobicContact CG-CB 4.23Å; F243-N421 HydrophobicContact CZ-CB 3.89Å; F243-A437 WeakPolarHBondContact CA-O 3.38Å; F243-A437 HydrophobicContact CB-CB 3.98Å; F243-A437 HydrophobicContact CD1-CB 3.56Å; F243-A437 HydrophobicContact CE1-CB 4.48Å; F243-A437 HydrophobicContact CG-CB 4.15Å; F243-R438 HydrophobicContact CD1-CG 4.01Å; F243-R438 HydrophobicContact CE1-CG 3.63Å
244	R	76.8	Confident	76.5	Confident	139 Å²	139	73.7 Å²	73.7	53%	0.525	38%	0.376	S	S	.	.			trans	-99.6	117.4	175.4	-60.4	-175.3	-174.4	-172.5	1	109.6	I253 Y255 A437	R244-I253 HydrophobicContact CB-CG2 4.26Å; R244-Y255 HydrophobicContact CG-CD1 4Å; R244-Y255 HydrophobicContact CG-CE1 3.79Å; R244-A437 PolarHBondContact N-O 3.46Å
245	F	79.7	Confident	76.7	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.7	179.2	-53.5	-87.5	0	0	0	110.5	F243 I253 F254 N257 L260 P434 A437	F243-F245 HydrophobicContact CB-CD2 4.37Å; F243-F245 HydrophobicContact CB-CE1 4.37Å; F243-F245 HydrophobicContact CB-CE2 3.49Å; F243-F245 VanDerWaalsContact CB-CE2 3.49Å; F243-F245 HydrophobicContact CB-CZ 3.49Å; F243-F245 VanDerWaalsContact CB-CZ 3.49Å; F243-F245 HydrophobicContact CG-CZ 4.28Å; F245-I253 CarbonylContact O-C 3.41Å; F245-I253 WeakPolarHBondContact O-CA 3.43Å; F245-F254 WeakPolarHBondContact CD2-O 3.47Å; F245-F254 PolarHBondContact N-O 3.02Å; F245-F254 PolarHBondContact O-N 3.46Å; F245-N257 HydrophobicContact CE1-CB 4.42Å; F245-N257 HydrophobicContact CE2-CB 3.91Å; F245-N257 VanDerWaalsContact CE2-N 3.34Å; F245-N257 HydrophobicContact CZ-CB 3.71Å; F245-L260 HydrophobicContact CB-CB 4.22Å; F245-L260 HydrophobicContact CB-CD1 3.84Å; F245-L260 HydrophobicContact CB-CD2 3.56Å; F245-L260 HydrophobicContact CB-CG 4.04Å; F245-L260 HydrophobicContact CD1-CD2 4.03Å; F245-L260 HydrophobicContact CG-CD2 3.93Å; F245-P434 HydrophobicContact CD1-CG 3.91Å; F245-P434 HydrophobicContact CE1-CG 3.73Å; F245-A437 HydrophobicContact CE1-CB 4.3Å
246	K	79.9	Confident	77.2	Confident	75 Å²	75	69.4 Å²	69.4	33%	0.326	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.8	174.3	-156.2	-174.2	-169.5	-151.4	0	109.8	A248 Q251 I253 V461 T464	K246-A248 PolarHBondContact O-N 3.39Å; K246-Q251 WeakPolarHBondContact CE-O 3.34Å; K246-Q251 VanDerWaalsContact CG-O 3.31Å; K246-Q251 WeakPolarHBondContact CG-O 3.37Å; K246-I253 HydrophobicContact CG-CG1 4.21Å; K246-V461 HydrophobicContact CD-CG2 4.04Å; K246-T464 WeakPolarHBondContact O-CG2 3.44Å
247	C	84.3	Confident	77.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.325	C	S	.	.			trans	-67.5	123.3	171.8	177.1	0	0	0	0	109.7	V249 Q251 R252 F254 L260 H263	C247-V249 PolarHBondContact O-N 3.48Å; C247-V249 PolarHBondContact SG-N 3.45Å; C247-Q251 WeakPolarHBondContact O-CA 3.47Å; C247-Q251 PolarHBondContact O-N 3.32Å; C247-R252 PolarHBondContact N-O 3.15Å; C247-F254 HydrophobicContact CB-CE2 4.19Å; C247-L260 HydrophobicContact CB-CD1 4.28Å; C247-H263 PolarHBondContact SG-NE2 3.32Å
248	A	81.2	Confident	78.5	Confident	16 Å²	16	61 Å²	61	13%	0.132	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7	-178.5	0	0	0	0	0	114.9	K246 V461 Q465 L468	K246-A248 PolarHBondContact O-N 3.39Å; A248-V461 HydrophobicContact CB-CG1 3.82Å; A248-Q465 HydrophobicContact CB-CB 4.46Å; A248-Q465 HydrophobicContact CB-CG 3.32Å; A248-L468 HydrophobicContact CB-CD1 3.7Å
249	V	81.7	Confident	79.1	Confident	69 Å²	69	66.2 Å²	66.2	42%	0.418	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-60	175.3	-175.5	0	0	0	0	110.7	C247 H267 L468	C247-V249 PolarHBondContact O-N 3.48Å; C247-V249 PolarHBondContact SG-N 3.45Å; V249-H267 HydrophobicContact CG2-CB 4.36Å; V249-L468 HydrophobicContact CG2-CD1 3.99Å; V249-L468 HydrophobicContact CG2-CD2 3.87Å
250	C	83.7	Confident	80	Confident	47 Å²	47	60.6 Å²	60.6	32%	0.318	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	8.5	-175.8	75.4	0	0	0	0	114.7	R252 H263	C250-R252 PolarHBondContact O-N 3.29Å; C250-R252 VanDerWaalsContact SG-CG 3.57Å; C250-H263 PolarHBondContact SG-CE1 3.34Å; C250-H263 PolarHBondContact SG-NE2 3.28Å
251	Q	82.2	Confident	80.6	Confident	87 Å²	87	56.5 Å²	56.5	41%	0.407	28%	0.276	S	S	.	.			trans	59	-0.4	178.7	-53.9	-64	-13.7	0	0	116.5	K246 C247	K246-Q251 WeakPolarHBondContact CE-O 3.34Å; K246-Q251 VanDerWaalsContact CG-O 3.31Å; K246-Q251 WeakPolarHBondContact CG-O 3.37Å; C247-Q251 WeakPolarHBondContact O-CA 3.47Å; C247-Q251 PolarHBondContact O-N 3.32Å
252	R	79.5	Confident	81.5	Confident	84 Å²	84	58.4 Å²	58.4	32%	0.317	29%	0.285	S	S	.	.			trans	-59.6	138.7	176.1	-70.9	-178.3	176.5	-155.1	-7.3	111.8	C247 C250 F254 S292 C293 D296	C247-R252 PolarHBondContact N-O 3.15Å; C250-R252 PolarHBondContact O-N 3.29Å; C250-R252 VanDerWaalsContact SG-CG 3.57Å; R252-F254 HydrophobicContact CB-CE2 3.71Å; R252-F254 HydrophobicContact CB-CZ 4.12Å; R252-F254 WeakPolarHBondContact O-CD2 3.43Å; R252-S292 PolarHBondContact NH2-O 3.32Å; R252-S292 PolarHBondContact NH2-OG 2.82Å; R252-C293 VanDerWaalsContact CZ-SG 3.54Å; R252-C293 PolarHBondContact NH1-SG 2.83Å; R252-C293 PolarHBondContact NH2-SG 3.32Å; R252-D296 IonicContact NH1-OD1 2.7Å; R252-D296 IonicContact NH1-OD2 3.25Å
253	I	81.1	Confident	82.3	Confident	94 Å²	94	51.5 Å²	51.5	48%	0.482	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129	179.7	-58.8	172.5	0	0	0	110.1	R244 F245 K246 Y255	R244-I253 HydrophobicContact CB-CG2 4.26Å; F245-I253 CarbonylContact O-C 3.41Å; F245-I253 WeakPolarHBondContact O-CA 3.43Å; K246-I253 HydrophobicContact CG-CG1 4.21Å; I253-Y255 HydrophobicContact CG2-CE2 4.35Å
254	F	81.7	Confident	83	Confident	37 Å²	37	51.2 Å²	51.2	16%	0.162	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.1	177.2	-63.8	-93.1	0	0	0	109.9	F245 C247 R252 S256 K259 L260 H263	F245-F254 WeakPolarHBondContact CD2-O 3.47Å; F245-F254 PolarHBondContact N-O 3.02Å; F245-F254 PolarHBondContact O-N 3.46Å; C247-F254 HydrophobicContact CB-CE2 4.19Å; R252-F254 HydrophobicContact CB-CE2 3.71Å; R252-F254 HydrophobicContact CB-CZ 4.12Å; R252-F254 WeakPolarHBondContact O-CD2 3.43Å; F254-S256 VanDerWaalsContact C-N 3.31Å; F254-K259 HydrophobicContact CD1-CB 4Å; F254-L260 HydrophobicContact CB-CB 4.12Å; F254-L260 HydrophobicContact CB-CD1 4.28Å; F254-L260 HydrophobicContact CD2-CD1 3.54Å; F254-L260 HydrophobicContact CE2-CD1 4.25Å; F254-L260 HydrophobicContact CG-CB 4.35Å; F254-L260 HydrophobicContact CG-CD1 4.14Å; F254-H263 HydrophobicContact CE1-CB 3.93Å; F254-H263 HydrophobicContact CE2-CB 4.2Å; F254-H263 AromaticContact CE2-CD2 3.35Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.4Å; F254-H263 AromaticContact CE2-CG 3.67Å; F254-H263 AromaticContact CE2-NE2 3.79Å; F254-H263 HydrophobicContact CZ-CB 3.64Å; F254-H263 AromaticContact CZ-CD2 3.44Å; F254-H263 VanDerWaalsContact CZ-CD2 3.44Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.16Å; F254-H263 AromaticContact CZ-CE1 3.95Å; F254-H263 AromaticContact CZ-CG 3.24Å; F254-H263 AromaticContact CZ-ND1 3.6Å; F254-H263 AromaticContact CZ-NE2 3.88Å
255	Y	79.4	Confident	83.4	Confident	146 Å²	146	46 Å²	46	57%	0.573	23%	0.229	S	C	*	.	S	Bend	trans	-95.3	19.1	178.6	-63.2	-90.6	0	0	0	112.9	F243 R244 I253	F243-Y255 CarbonylContact O-C 3.58Å; F243-Y255 WeakPolarHBondContact O-CA 3.28Å; R244-Y255 HydrophobicContact CG-CD1 4Å; R244-Y255 HydrophobicContact CG-CE1 3.79Å; I253-Y255 HydrophobicContact CG2-CE2 4.35Å
256	S	82.4	Confident	83.5	Confident	16 Å²	16	46.4 Å²	46.4	11%	0.112	23%	0.234	C	C	.	.			trans	-156.9	124.6	-172.3	170.7	0	0	0	0	109	F254 T258 K259 L260 D418	F254-S256 VanDerWaalsContact C-N 3.31Å; S256-T258 VanDerWaalsContact C-N 3.3Å; S256-T258 PolarHBondContact O-N 2.98Å; S256-T258 PolarHBondContact OG-OG1 3.27Å; S256-K259 PolarHBondContact O-N 3.04Å; S256-L260 PolarHBondContact O-N 2.91Å; S256-D418 PolarHBondContact OG-OD1 3.25Å
257	N	85.9	Confident	83.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-42.7	179.9	58.8	-27.7	0	0	0	111.5	F245 K259 L260 M261 H417 D418 S419 S420 H422 L423	F245-N257 HydrophobicContact CE1-CB 4.42Å; F245-N257 HydrophobicContact CE2-CB 3.91Å; F245-N257 VanDerWaalsContact CE2-N 3.34Å; F245-N257 HydrophobicContact CZ-CB 3.71Å; N257-K259 PolarHBondContact O-N 2.62Å; N257-L260 PolarHBondContact O-N 2.86Å; N257-M261 WeakPolarHBondContact O-CG 3.35Å; N257-M261 PolarHBondContact O-N 3.42Å; N257-H417 PolarHBondContact ND2-O 3.3Å; N257-D418 PolarHBondContact OD1-OD1 2.87Å; N257-S419 PolarHBondContact OD1-N 3.02Å; N257-S420 PolarHBondContact ND2-O 3.14Å; N257-S420 PolarHBondContact ND2-OG 3.49Å; N257-H422 WeakPolarHBondContact CB-O 3.46Å; N257-H422 PolarHBondContact ND2-O 3.21Å; N257-L423 HydrophobicContact CB-CD2 3.97Å
258	T	85.8	Confident	83.2	Confident	31 Å²	31	44.9 Å²	44.9	19%	0.19	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-41.2	177.9	54.5	0	0	0	0	112.4	S256 M261 S262 K414 D418	S256-T258 VanDerWaalsContact C-N 3.3Å; S256-T258 PolarHBondContact O-N 2.98Å; S256-T258 PolarHBondContact OG-OG1 3.27Å; T258-M261 PolarHBondContact O-N 3.19Å; T258-S262 PolarHBondContact O-N 2.71Å; T258-S262 PolarHBondContact O-OG 3.11Å; T258-K414 HydrophobicContact CG2-CB 4.46Å; T258-K414 HydrophobicContact CG2-CG 4.19Å; T258-D418 HydrophobicContact CG2-CB 4.34Å; T258-D418 WeakPolarHBondContact CG2-OD1 3.28Å; T258-D418 PolarHBondContact OG1-OD1 2.79Å
259	K	86.2	Confident	82.7	Confident	133 Å²	133	47.4 Å²	47.4	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-68.4	-42.7	175.7	-65.5	-174.4	-178.3	-178	0	112.8	F254 S256 N257 M261 S262 H263	F254-K259 HydrophobicContact CD1-CB 4Å; S256-K259 PolarHBondContact O-N 3.04Å; N257-K259 PolarHBondContact O-N 2.62Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-M261 PolarHBondContact O-N 3.06Å; K259-S262 WeakPolarHBondContact CA-OG 3.24Å; K259-S262 PolarHBondContact O-N 3.29Å; K259-S262 PolarHBondContact O-OG 2.81Å; K259-H263 WeakPolarHBondContact O-CB 3.34Å; K259-H263 PolarHBondContact O-N 3.33Å
260	L	86.2	Confident	81.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-45.3	174.9	-176.2	81.3	0	0	0	110.7	F245 C247 F254 S256 N257 S262 H263 I264 L423 T464	F245-L260 HydrophobicContact CB-CB 4.22Å; F245-L260 HydrophobicContact CB-CD1 3.84Å; F245-L260 HydrophobicContact CB-CD2 3.56Å; F245-L260 HydrophobicContact CB-CG 4.04Å; F245-L260 HydrophobicContact CD1-CD2 4.03Å; F245-L260 HydrophobicContact CG-CD2 3.93Å; C247-L260 HydrophobicContact CB-CD1 4.28Å; F254-L260 HydrophobicContact CB-CB 4.12Å; F254-L260 HydrophobicContact CB-CD1 4.28Å; F254-L260 HydrophobicContact CD2-CD1 3.54Å; F254-L260 HydrophobicContact CE2-CD1 4.25Å; F254-L260 HydrophobicContact CG-CB 4.35Å; F254-L260 HydrophobicContact CG-CD1 4.14Å; S256-L260 PolarHBondContact O-N 2.91Å; N257-L260 PolarHBondContact O-N 2.86Å; L260-S262 PolarHBondContact O-N 3.42Å; L260-H263 PolarHBondContact O-N 3.03Å; L260-I264 HydrophobicContact CD1-CD1 4.01Å; L260-I264 HydrophobicContact CD1-CG1 4.41Å; L260-I264 HydrophobicContact CD2-CD1 3.87Å; L260-I264 HydrophobicContact CG-CD1 3.66Å; L260-I264 HydrophobicContact CG-CG1 4.25Å; L260-I264 WeakPolarHBondContact O-CB 3.34Å; L260-I264 WeakPolarHBondContact O-CG1 3.4Å; L260-I264 PolarHBondContact O-N 3.16Å; L260-L423 HydrophobicContact CD2-CD1 3.82Å; L260-L423 HydrophobicContact CD2-CD2 3.71Å; L260-L423 HydrophobicContact CD2-CG 4.43Å; L260-T464 HydrophobicContact CD2-CG2 4.15Å
261	M	86.2	Confident	80.1	Confident	17 Å²	17	51.2 Å²	51.2	8%	0.084	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-49.5	178.8	-75.1	175.8	46.3	0	0	112.4	N257 T258 K259 H263 I264 L265 F413 L423 L424 Y467	N257-M261 WeakPolarHBondContact O-CG 3.35Å; N257-M261 PolarHBondContact O-N 3.42Å; T258-M261 PolarHBondContact O-N 3.19Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-M261 PolarHBondContact O-N 3.06Å; M261-H263 VanDerWaalsContact C-N 3.28Å; M261-H263 PolarHBondContact O-N 2.89Å; M261-I264 PolarHBondContact O-N 3.46Å; M261-L265 WeakPolarHBondContact O-CG 3.36Å; M261-L265 PolarHBondContact O-N 2.84Å; M261-F413 HydrophobicContact CE-CE1 4.42Å; M261-F413 HydrophobicContact SD-CD1 4.36Å; M261-F413 HydrophobicContact SD-CE1 3.67Å; M261-F413 HydrophobicContact SD-CZ 4.46Å; M261-L423 HydrophobicContact CG-CB 4.39Å; M261-L423 HydrophobicContact CG-CD2 3.8Å; M261-L423 HydrophobicContact SD-CD2 4.49Å; M261-L424 HydrophobicContact CE-CB 3.99Å; M261-L424 WeakPolarHBondContact CE-O 3.29Å; M261-L424 HydrophobicContact SD-CB 4.24Å; M261-L424 PolarHBondContact SD-N 3.42Å; M261-Y467 HydrophobicContact CG-CE1 4.48Å
262	S	85.9	Confident	78.6	Confident	68 Å²	68	48.1 Å²	48.1	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-36.9	177.1	44.2	0	0	0	0	112.7	T258 K259 L260 G266	T258-S262 PolarHBondContact O-N 2.71Å; T258-S262 PolarHBondContact O-OG 3.11Å; K259-S262 WeakPolarHBondContact CA-OG 3.24Å; K259-S262 PolarHBondContact O-N 3.29Å; K259-S262 PolarHBondContact O-OG 2.81Å; L260-S262 PolarHBondContact O-N 3.42Å; S262-G266 PolarHBondContact O-N 3.28Å
263	H	87	Confident	77.2	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.06	25%	0.25	C	C	.	.	H	α-helix	trans	-68.8	-43.6	177.4	171.6	72.2	0	0	0	112.2	C247 C250 F254 K259 L260 M261 G266 H267	C247-H263 PolarHBondContact SG-NE2 3.32Å; C250-H263 PolarHBondContact SG-CE1 3.34Å; C250-H263 PolarHBondContact SG-NE2 3.28Å; F254-H263 HydrophobicContact CE1-CB 3.93Å; F254-H263 HydrophobicContact CE2-CB 4.2Å; F254-H263 AromaticContact CE2-CD2 3.35Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.4Å; F254-H263 AromaticContact CE2-CG 3.67Å; F254-H263 AromaticContact CE2-NE2 3.79Å; F254-H263 HydrophobicContact CZ-CB 3.64Å; F254-H263 AromaticContact CZ-CD2 3.44Å; F254-H263 VanDerWaalsContact CZ-CD2 3.44Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.16Å; F254-H263 AromaticContact CZ-CE1 3.95Å; F254-H263 AromaticContact CZ-CG 3.24Å; F254-H263 AromaticContact CZ-ND1 3.6Å; F254-H263 AromaticContact CZ-NE2 3.88Å; K259-H263 WeakPolarHBondContact O-CB 3.34Å; K259-H263 PolarHBondContact O-N 3.33Å; L260-H263 PolarHBondContact O-N 3.03Å; M261-H263 VanDerWaalsContact C-N 3.28Å; M261-H263 PolarHBondContact O-N 2.89Å; H263-G266 PolarHBondContact O-N 3.33Å; H263-H267 AromaticContact CD2-NE2 3.86Å; H263-H267 AromaticContact CE1-CD2 3.99Å; H263-H267 AromaticContact CE1-NE2 3.22Å; H263-H267 PolarHBondContact CE1-NE2 2.85Å; H263-H267 AromaticContact NE2-CD2 3.61Å; H263-H267 AromaticContact NE2-NE2 2.98Å; H263-H267 PolarHBondContact NE2-NE2 3.36Å; H263-H267 PolarHBondContact O-CD2 2.83Å
264	I	85.5	Confident	75.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-39.8	178.3	-78.2	177.6	0	0	0	111.9	L260 M261 G266 H267 V268 T464 Y467 L468 L471	L260-I264 HydrophobicContact CD1-CD1 4.01Å; L260-I264 HydrophobicContact CD1-CG1 4.41Å; L260-I264 HydrophobicContact CD2-CD1 3.87Å; L260-I264 HydrophobicContact CG-CD1 3.66Å; L260-I264 HydrophobicContact CG-CG1 4.25Å; L260-I264 WeakPolarHBondContact O-CB 3.34Å; L260-I264 WeakPolarHBondContact O-CG1 3.4Å; L260-I264 PolarHBondContact O-N 3.16Å; M261-I264 PolarHBondContact O-N 3.46Å; I264-G266 PolarHBondContact O-N 3.5Å; I264-H267 WeakPolarHBondContact O-CB 3.49Å; I264-H267 PolarHBondContact O-N 2.65Å; I264-V268 PolarHBondContact O-N 2.74Å; I264-T464 HydrophobicContact CD1-CG2 3.63Å; I264-Y467 HydrophobicContact CB-CE1 4.3Å; I264-Y467 HydrophobicContact CD1-CD1 3.89Å; I264-Y467 HydrophobicContact CD1-CE1 4.17Å; I264-Y467 HydrophobicContact CG2-CD1 4.02Å; I264-Y467 HydrophobicContact CG2-CE1 3.74Å; I264-L468 HydrophobicContact CB-CD2 4.45Å; I264-L468 HydrophobicContact CD1-CD1 4.44Å; I264-L468 HydrophobicContact CD1-CG 4.25Å; I264-L468 HydrophobicContact CG1-CD2 4.33Å; I264-L468 HydrophobicContact CG1-CG 4.48Å; I264-L468 HydrophobicContact CG2-CD2 3.58Å; I264-L468 HydrophobicContact CG2-CG 4.02Å; I264-L471 HydrophobicContact CG2-CD1 3.42Å; I264-L471 VanDerWaalsContact CG2-CD1 3.42Å
265	L	85.3	Confident	73.3	Confident	30 Å²	30	46.7 Å²	46.7	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-38.4	174.4	-71.7	166.9	0	0	0	111.4	M261 H267 V268 D269 T426 Y427 L471	M261-L265 WeakPolarHBondContact O-CG 3.36Å; M261-L265 PolarHBondContact O-N 2.84Å; L265-H267 PolarHBondContact O-N 3.32Å; L265-H267 VanDerWaalsContact O-N 3.13Å; L265-V268 PolarHBondContact O-N 2.83Å; L265-D269 PolarHBondContact O-N 3.11Å; L265-T426 HydrophobicContact CD1-CG2 4.15Å; L265-Y427 HydrophobicContact CD2-CE2 4.28Å; L265-L471 HydrophobicContact CD2-CD1 4.3Å; L265-L471 HydrophobicContact CD2-CD2 4.26Å
266	G	82.1	Confident	71.2	Confident	11 Å²	11	42 Å²	42	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-1.1	174.1	0	0	0	0	0	116.4	S262 H263 I264 S272 R298	S262-G266 PolarHBondContact O-N 3.28Å; H263-G266 PolarHBondContact O-N 3.33Å; I264-G266 PolarHBondContact O-N 3.5Å; G266-S272 PolarHBondContact O-OG 2.51Å; G266-R298 PolarHBondContact O-NH2 3.47Å
267	H	81.9	Confident	69.1	Low	39 Å²	39	48.3 Å²	48.3	18%	0.181	28%	0.277	C	S	.	.	H	α-helix	trans	-101.8	-14.1	165.5	-71.6	-67.3	0	0	0	113.1	V249 H263 I264 L265 Q273	V249-H267 HydrophobicContact CG2-CB 4.36Å; H263-H267 AromaticContact CD2-NE2 3.86Å; H263-H267 AromaticContact CE1-CD2 3.99Å; H263-H267 AromaticContact CE1-NE2 3.22Å; H263-H267 PolarHBondContact CE1-NE2 2.85Å; H263-H267 AromaticContact NE2-CD2 3.61Å; H263-H267 AromaticContact NE2-NE2 2.98Å; H263-H267 PolarHBondContact NE2-NE2 3.36Å; H263-H267 PolarHBondContact O-CD2 2.83Å; I264-H267 WeakPolarHBondContact O-CB 3.49Å; I264-H267 PolarHBondContact O-N 2.65Å; L265-H267 PolarHBondContact O-N 3.32Å; L265-H267 VanDerWaalsContact O-N 3.13Å; H267-Q273 PolarHBondContact O-NE2 3.14Å
268	V	77.6	Confident	67.2	Low	5 Å²	5	51.8 Å²	51.8	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-108.4	-33.4	-172.2	178.2	0	0	0	0	112.5	I264 L265 E270 L468 L471 Q475	I264-V268 PolarHBondContact O-N 2.74Å; L265-V268 PolarHBondContact O-N 2.83Å; V268-E270 PolarHBondContact O-N 3.16Å; V268-E270 VanDerWaalsContact O-N 3.13Å; V268-L468 HydrophobicContact CG2-CD2 4.37Å; V268-L471 HydrophobicContact CG1-CB 4.14Å; V268-L471 HydrophobicContact CG2-CB 4.05Å; V268-L471 HydrophobicContact CG2-CD1 4.48Å; V268-Q475 HydrophobicContact CG1-CG 3.77Å; V268-Q475 PolarHBondContact O-NE2 3.04Å
269	D	70.6	Confident	65.3	Low	69 Å²	69	52.4 Å²	52.4	37%	0.369	31%	0.307	S	S	.	.			trans	-69.8	113.1	178.7	-74.7	-43.8	0	0	0	110.4	L265 A271 S272 Q273 Y427	L265-D269 PolarHBondContact O-N 3.11Å; D269-A271 PolarHBondContact O-N 3.24Å; D269-S272 CarbonylContact O-C 3.58Å; D269-S272 WeakPolarHBondContact O-CA 3.46Å; D269-S272 VanDerWaalsContact O-CB 3.32Å; D269-S272 WeakPolarHBondContact O-CB 3.39Å; D269-S272 PolarHBondContact O-N 2.05Å; D269-S272 PolarHBondContact O-OG 2.74Å; D269-Q273 PolarHBondContact O-N 2.83Å; D269-Y427 PolarHBondContact OD1-OH 2.92Å; D269-Y427 VanDerWaalsContact OD1-OH 3.13Å
270	E	58	Low	63.6	Low	120 Å²	120	54 Å²	54	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-52.2	-38.2	176.4	-75.5	176	129.5	0	0	111.8	V268 S272 Q273 A274	V268-E270 PolarHBondContact O-N 3.16Å; V268-E270 VanDerWaalsContact O-N 3.13Å; E270-S272 PolarHBondContact O-N 3.48Å; E270-Q273 CarbonylContact O-C 3.58Å; E270-Q273 WeakPolarHBondContact O-CA 3.47Å; E270-Q273 WeakPolarHBondContact O-CB 3.31Å; E270-Q273 PolarHBondContact O-N 3.48Å; E270-A274 PolarHBondContact O-N 3.24Å
271	A	51.6	Low	62.2	Low	76 Å²	76	57.4 Å²	57.4	63%	0.628	34%	0.342	S	S	*	.	H	α-helix	trans	-66.6	-21.7	176	0	0	0	0	0	113.4	D269	D269-A271 PolarHBondContact O-N 3.24Å
272	S	50.7	Low	61.2	Low	21 Å²	21	58.7 Å²	58.7	15%	0.147	35%	0.351	C	S	.	.	H	α-helix	trans	-85.4	-31	169	84.4	0	0	0	0	111.4	G266 D269 E270 C275 L276 R298	G266-S272 PolarHBondContact O-OG 2.51Å; D269-S272 CarbonylContact O-C 3.58Å; D269-S272 WeakPolarHBondContact O-CA 3.46Å; D269-S272 VanDerWaalsContact O-CB 3.32Å; D269-S272 WeakPolarHBondContact O-CB 3.39Å; D269-S272 PolarHBondContact O-N 2.05Å; D269-S272 PolarHBondContact O-OG 2.74Å; E270-S272 PolarHBondContact O-N 3.48Å; S272-C275 PolarHBondContact O-N 3.28Å; S272-L276 PolarHBondContact O-N 3.48Å; S272-R298 PolarHBondContact O-NH1 3.37Å
273	Q	50	Low	60.5	Low	73 Å²	73	59.1 Å²	59.1	34%	0.341	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-31.2	174.6	-66.8	178.3	-17.4	0	0	113.2	H267 D269 E270 C275 L276 D277	H267-Q273 PolarHBondContact O-NE2 3.14Å; D269-Q273 PolarHBondContact O-N 2.83Å; E270-Q273 CarbonylContact O-C 3.58Å; E270-Q273 WeakPolarHBondContact O-CA 3.47Å; E270-Q273 WeakPolarHBondContact O-CB 3.31Å; E270-Q273 PolarHBondContact O-N 3.48Å; Q273-C275 PolarHBondContact O-N 2.84Å; Q273-L276 HydrophobicContact CG-CD1 4.29Å; Q273-L276 CarbonylContact O-C 3.39Å; Q273-L276 VanDerWaalsContact O-CA 3.28Å; Q273-L276 WeakPolarHBondContact O-CA 3.48Å; Q273-L276 WeakPolarHBondContact O-CB 3.49Å; Q273-L276 PolarHBondContact O-N 2.69Å; Q273-D277 PolarHBondContact O-N 3.25Å
274	A	41.7	Very low	60.1	Low	66 Å²	66	58.5 Å²	58.5	55%	0.545	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.2	170.9	0	0	0	0	0	114.2	E270	E270-A274 PolarHBondContact O-N 3.24Å
275	C	38.5	Very low	59.5	Low	47 Å²	47	63.6 Å²	63.6	32%	0.318	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-1.4	169.1	-169.7	0	0	0	0	112.4	S272 Q273	S272-C275 PolarHBondContact O-N 3.28Å; Q273-C275 PolarHBondContact O-N 2.84Å
276	L	36.7	Very low	59	Low	48 Å²	48	66.9 Å²	66.9	25%	0.251	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-14.5	165	-77.4	143.8	0	0	0	112	S272 Q273 T278 A279 A294	S272-L276 PolarHBondContact O-N 3.48Å; Q273-L276 HydrophobicContact CG-CD1 4.29Å; Q273-L276 CarbonylContact O-C 3.39Å; Q273-L276 VanDerWaalsContact O-CA 3.28Å; Q273-L276 WeakPolarHBondContact O-CA 3.48Å; Q273-L276 WeakPolarHBondContact O-CB 3.49Å; Q273-L276 PolarHBondContact O-N 2.69Å; L276-T278 PolarHBondContact O-N 2.71Å; L276-A279 HydrophobicContact CD2-CB 4.49Å; L276-A279 WeakPolarHBondContact O-CA 3.47Å; L276-A279 WeakPolarHBondContact O-CB 3.27Å; L276-A279 PolarHBondContact O-N 3.35Å; L276-A294 HydrophobicContact CD2-CB 3.68Å; L276-A294 HydrophobicContact CG-CB 4.29Å
277	D	38.6	Very low	58.9	Low	148 Å²	148	68.5 Å²	68.5	79%	0.791	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	3.7	164	-61.6	-32.9	0	0	0	112.5	Q273	Q273-D277 PolarHBondContact O-N 3.25Å
278	T	45.9	Very low	58.6	Low	72 Å²	72	71.5 Å²	71.5	44%	0.442	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	16.6	164.7	-10.3	0	0	0	0	112.1	L276 D280 T281	L276-T278 PolarHBondContact O-N 2.71Å; T278-D280 VanDerWaalsContact C-N 3.29Å; T278-D280 PolarHBondContact O-N 3.27Å; T278-T281 WeakPolarHBondContact O-CA 3.45Å; T278-T281 WeakPolarHBondContact O-CB 3.39Å; T278-T281 PolarHBondContact O-N 3.36Å
279	A	45.4	Very low	58.6	Low	45 Å²	45	76.4 Å²	76.4	37%	0.372	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.8	-170.5	0	0	0	0	0	114.9	L276 T281	L276-A279 HydrophobicContact CD2-CB 4.49Å; L276-A279 WeakPolarHBondContact O-CA 3.47Å; L276-A279 WeakPolarHBondContact O-CB 3.27Å; L276-A279 PolarHBondContact O-N 3.35Å; A279-T281 PolarHBondContact O-N 2.93Å
280	D	50.4	Low	58.8	Low	167 Å²	167	79.7 Å²	79.7	89%	0.893	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22	171.6	-60.7	-20.4	0	0	0	111.7	T278 T282	T278-D280 VanDerWaalsContact C-N 3.29Å; T278-D280 PolarHBondContact O-N 3.27Å; D280-T282 PolarHBondContact O-N 3.48Å
281	T	55.9	Low	59.7	Low	70 Å²	70	76 Å²	76	43%	0.429	45%	0.446	S	S	.	.			trans	-98.5	83.1	178.8	-38	0	0	0	0	110.2	T278 A279 Q283 L297	T278-T281 WeakPolarHBondContact O-CA 3.45Å; T278-T281 WeakPolarHBondContact O-CB 3.39Å; T278-T281 PolarHBondContact O-N 3.36Å; A279-T281 PolarHBondContact O-N 2.93Å; T281-Q283 HydrophobicContact CG2-CB 4.16Å; T281-Q283 PolarHBondContact O-N 3.23Å; T281-L297 VanDerWaalsContact O-CD2 3.31Å; T281-L297 WeakPolarHBondContact O-CD2 3.45Å
282	T	66	Low	60.3	Low	45 Å²	45	76.5 Å²	76.5	28%	0.276	44%	0.444	S	S	.	.			trans	-66.9	2.8	167.3	51.5	0	0	0	0	113.6	D280 M290 F291	D280-T282 PolarHBondContact O-N 3.48Å; T282-M290 CarbonylContact O-C 3.54Å; T282-M290 WeakPolarHBondContact O-CA 3.49Å; T282-F291 WeakPolarHBondContact CB-O 3.35Å; T282-F291 PolarHBondContact O-N 2.88Å
283	Q	70.9	Confident	60.7	Low	77 Å²	77	76.8 Å²	76.8	36%	0.36	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-103.9	129	-175.3	-177.1	176.7	-30.5	0	0	112.3	T281 S285 N288 Q289 M290	T281-Q283 HydrophobicContact CG2-CB 4.16Å; T281-Q283 PolarHBondContact O-N 3.23Å; Q283-S285 PolarHBondContact O-N 3.48Å; Q283-N288 HydrophobicContact CG-CB 4.43Å; Q283-N288 PolarHBondContact NE2-OD1 3.44Å; Q283-Q289 CarbonylContact C-O 3.57Å; Q283-Q289 WeakPolarHBondContact CA-O 3.11Å; Q283-M290 HydrophobicContact CB-CG 4.39Å; Q283-M290 HydrophobicContact CG-CG 4.5Å
284	C	78.3	Confident	61.5	Low	0 Å²	0	73.8 Å²	73.8	0%	0	43%	0.434	C	S	.	.			trans	-62.3	118.5	171.9	156.8	0	0	0	0	112.2	V286 C287 N288 Q289 F291 L297 H300 H305	C284-V286 VanDerWaalsContact C-N 3.27Å; C284-V286 PolarHBondContact O-N 3.1Å; C284-C287 HydrophobicContact CB-CB 4.46Å; C284-C287 WeakPolarHBondContact CB-SG 2.98Å; C284-C287 PolarHBondContact O-N 3.42Å; C284-C287 VanDerWaalsContact SG-CA 3.56Å; C284-C287 WeakPolarHBondContact SG-CB 3.44Å; C284-C287 PolarHBondContact SG-N 3.26Å; C284-C287 CovalentContact SG-SG 2.05Å; C284-C287 PolarHBondContact SG-SG 2.95Å; C284-N288 WeakPolarHBondContact O-CA 3.34Å; C284-N288 PolarHBondContact O-N 3.43Å; C284-N288 PolarHBondContact O-OD1 3.05Å; C284-Q289 WeakPolarHBondContact CB-O 3.33Å; C284-Q289 PolarHBondContact N-O 2.89Å; C284-F291 HydrophobicContact CB-CD2 4.48Å; C284-F291 HydrophobicContact CB-CE2 3.82Å; C284-L297 VanDerWaalsContact CA-CD1 3.47Å; C284-L297 HydrophobicContact CB-CD1 3.7Å; C284-H300 PolarHBondContact SG-NE2 2.85Å; C284-H305 PolarHBondContact SG-NE2 3.48Å
285	S	72.6	Confident	62.5	Low	106 Å²	106	74.3 Å²	74.3	74%	0.741	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.6	-177.9	56.6	0	0	0	0	114.8	Q283	Q283-S285 PolarHBondContact O-N 3.48Å
286	V	76.5	Confident	64.2	Low	100 Å²	100	74.1 Å²	74.1	61%	0.606	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-29.8	-178.5	-176.6	0	0	0	0	112.3	C284	C284-V286 VanDerWaalsContact C-N 3.27Å; C284-V286 PolarHBondContact O-N 3.1Å
287	C	80.1	Confident	66.2	Low	44 Å²	44	72.6 Å²	72.6	30%	0.297	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-8.3	-166.2	73.1	0	0	0	0	114.4	C284 Q289 H300	C284-C287 HydrophobicContact CB-CB 4.46Å; C284-C287 WeakPolarHBondContact CB-SG 2.98Å; C284-C287 PolarHBondContact O-N 3.42Å; C284-C287 VanDerWaalsContact SG-CA 3.56Å; C284-C287 WeakPolarHBondContact SG-CB 3.44Å; C284-C287 PolarHBondContact SG-N 3.26Å; C284-C287 CovalentContact SG-SG 2.05Å; C284-C287 PolarHBondContact SG-SG 2.95Å; C287-Q289 PolarHBondContact O-N 3.35Å; C287-Q289 VanDerWaalsContact O-N 3.16Å; C287-H300 PolarHBondContact SG-NE2 3.02Å
288	N	75.4	Confident	67.7	Low	103 Å²	103	67.7 Å²	67.7	55%	0.551	38%	0.382	S	S	*	.			trans	56.7	21	-179.1	-61.3	-49.1	0	0	0	116.1	Q283 C284	Q283-N288 HydrophobicContact CG-CB 4.43Å; Q283-N288 PolarHBondContact NE2-OD1 3.44Å; C284-N288 WeakPolarHBondContact O-CA 3.34Å; C284-N288 PolarHBondContact O-N 3.43Å; C284-N288 PolarHBondContact O-OD1 3.05Å
289	Q	77	Confident	69.1	Low	107 Å²	107	67.3 Å²	67.3	50%	0.5	38%	0.377	S	S	.	.			trans	-74.3	137	169.8	-67	-174.6	17.7	0	0	110.8	Q283 C284 C287 F291	Q283-Q289 CarbonylContact C-O 3.57Å; Q283-Q289 WeakPolarHBondContact CA-O 3.11Å; C284-Q289 WeakPolarHBondContact CB-O 3.33Å; C284-Q289 PolarHBondContact N-O 2.89Å; C287-Q289 PolarHBondContact O-N 3.35Å; C287-Q289 VanDerWaalsContact O-N 3.16Å; Q289-F291 HydrophobicContact CB-CE2 3.57Å; Q289-F291 HydrophobicContact CB-CZ 3.7Å; Q289-F291 WeakPolarHBondContact O-CD2 3.12Å; Q289-F291 VanDerWaalsContact O-CE2 3.27Å; Q289-F291 WeakPolarHBondContact O-CE2 3.46Å
290	M	74.3	Confident	70.7	Confident	138 Å²	138	65.9 Å²	65.9	68%	0.68	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-93.4	140	174.6	-61.1	-178.9	76.4	0	0	110.7	T282 Q283	T282-M290 CarbonylContact O-C 3.54Å; T282-M290 WeakPolarHBondContact O-CA 3.49Å; Q283-M290 HydrophobicContact CB-CG 4.39Å; Q283-M290 HydrophobicContact CG-CG 4.5Å
291	F	76.8	Confident	72.2	Confident	44 Å²	44	60.8 Å²	60.8	19%	0.193	34%	0.335	C	S	.	.			trans	-123.6	161.2	-173.7	-69.8	-79.5	0	0	0	111.9	T282 C284 Q289 C293 D296 L297 H300	T282-F291 WeakPolarHBondContact CB-O 3.35Å; T282-F291 PolarHBondContact O-N 2.88Å; C284-F291 HydrophobicContact CB-CD2 4.48Å; C284-F291 HydrophobicContact CB-CE2 3.82Å; Q289-F291 HydrophobicContact CB-CE2 3.57Å; Q289-F291 HydrophobicContact CB-CZ 3.7Å; Q289-F291 WeakPolarHBondContact O-CD2 3.12Å; Q289-F291 VanDerWaalsContact O-CE2 3.27Å; Q289-F291 WeakPolarHBondContact O-CE2 3.46Å; F291-C293 PolarHBondContact O-N 3.27Å; F291-D296 HydrophobicContact CB-CB 4.01Å; F291-D296 HydrophobicContact CD1-CB 4.04Å; F291-D296 HydrophobicContact CG-CB 4.39Å; F291-L297 HydrophobicContact CB-CB 4.23Å; F291-L297 HydrophobicContact CD2-CB 4.09Å; F291-L297 HydrophobicContact CD2-CD1 3.87Å; F291-L297 HydrophobicContact CE2-CD1 4.14Å; F291-L297 HydrophobicContact CG-CB 4.27Å; F291-H300 HydrophobicContact CD1-CB 4.38Å; F291-H300 HydrophobicContact CE1-CB 3.64Å; F291-H300 AromaticContact CE1-CG 3.84Å; F291-H300 HydrophobicContact CE2-CB 4.04Å; F291-H300 AromaticContact CE2-CD2 3.61Å; F291-H300 AromaticContact CE2-CG 3.7Å; F291-H300 HydrophobicContact CZ-CB 3.46Å; F291-H300 VanDerWaalsContact CZ-CB 3.46Å; F291-H300 AromaticContact CZ-CD2 3.54Å; F291-H300 AromaticContact CZ-CG 3.15Å; F291-H300 AromaticContact CZ-ND1 3.5Å
292	S	64.8	Low	73.2	Confident	85 Å²	85	64.1 Å²	64.1	59%	0.594	35%	0.346	S	S	*	.	S	Bend	trans	-76.3	-12	-175.9	90	0	0	0	0	114.1	R252 D296	R252-S292 PolarHBondContact NH2-O 3.32Å; R252-S292 PolarHBondContact NH2-OG 2.82Å; S292-D296 WeakPolarHBondContact CB-OD2 3.44Å; S292-D296 PolarHBondContact OG-OD2 3.44Å
293	C	58.8	Low	73.6	Confident	28 Å²	28	68.2 Å²	68.2	19%	0.189	36%	0.36	C	S	.	.	S	Bend	trans	-170.3	171.5	172.7	62.4	0	0	0	0	111	R252 F291 F295 D296 L297	R252-C293 VanDerWaalsContact CZ-SG 3.54Å; R252-C293 PolarHBondContact NH1-SG 2.83Å; R252-C293 PolarHBondContact NH2-SG 3.32Å; F291-C293 PolarHBondContact O-N 3.27Å; C293-F295 PolarHBondContact O-N 2.9Å; C293-F295 PolarHBondContact SG-N 3.31Å; C293-D296 PolarHBondContact O-N 3.44Å; C293-L297 PolarHBondContact O-N 2.96Å
294	A	66.8	Low	73.6	Confident	9 Å²	9	71.1 Å²	71.1	7%	0.074	37%	0.373	C	S	.	.	H	α-helix	trans	-56.4	-27.7	172.4	0	0	0	0	0	114.1	L276 R298	L276-A294 HydrophobicContact CD2-CB 3.68Å; L276-A294 HydrophobicContact CG-CB 4.29Å; A294-R298 WeakPolarHBondContact O-CG 3.27Å; A294-R298 PolarHBondContact O-N 3.32Å
295	F	63.9	Low	73.3	Confident	78 Å²	78	73.7 Å²	73.7	34%	0.342	39%	0.385	S	S	.	.	H	α-helix	trans	-67.5	-46	176.9	179.2	-83.9	0	0	0	112.1	C293 L297 R298 D299	C293-F295 PolarHBondContact O-N 2.9Å; C293-F295 PolarHBondContact SG-N 3.31Å; F295-L297 VanDerWaalsContact C-N 3.28Å; F295-L297 PolarHBondContact O-N 3.33Å; F295-R298 PolarHBondContact O-N 3.06Å; F295-D299 PolarHBondContact O-N 2.88Å
296	D	74.2	Confident	72.8	Confident	43 Å²	43	72.6 Å²	72.6	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-67.4	-34.5	179.2	-56.5	-20.4	0	0	0	110.6	R252 F291 S292 C293 D299 H300	R252-D296 IonicContact NH1-OD1 2.7Å; R252-D296 IonicContact NH1-OD2 3.25Å; F291-D296 HydrophobicContact CB-CB 4.01Å; F291-D296 HydrophobicContact CD1-CB 4.04Å; F291-D296 HydrophobicContact CG-CB 4.39Å; S292-D296 WeakPolarHBondContact CB-OD2 3.44Å; S292-D296 PolarHBondContact OG-OD2 3.44Å; C293-D296 PolarHBondContact O-N 3.44Å; D296-D299 PolarHBondContact O-N 3.26Å; D296-H300 VanDerWaalsContact O-CB 3.3Å; D296-H300 WeakPolarHBondContact O-CB 3.25Å; D296-H300 PolarHBondContact O-N 3.26Å
297	L	78.3	Confident	71.5	Confident	15 Å²	15	74 Å²	74	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-62.1	-42.8	170.6	173	58.9	0	0	0	112.1	T281 C284 F291 C293 F295 H300 I301	T281-L297 VanDerWaalsContact O-CD2 3.31Å; T281-L297 WeakPolarHBondContact O-CD2 3.45Å; C284-L297 VanDerWaalsContact CA-CD1 3.47Å; C284-L297 HydrophobicContact CB-CD1 3.7Å; F291-L297 HydrophobicContact CB-CB 4.23Å; F291-L297 HydrophobicContact CD2-CB 4.09Å; F291-L297 HydrophobicContact CD2-CD1 3.87Å; F291-L297 HydrophobicContact CE2-CD1 4.14Å; F291-L297 HydrophobicContact CG-CB 4.27Å; C293-L297 PolarHBondContact O-N 2.96Å; F295-L297 VanDerWaalsContact C-N 3.28Å; F295-L297 PolarHBondContact O-N 3.33Å; L297-H300 PolarHBondContact O-N 3.09Å; L297-I301 HydrophobicContact CD1-CD1 3.8Å; L297-I301 HydrophobicContact CD1-CG1 4.09Å; L297-I301 HydrophobicContact CG-CD1 3.93Å; L297-I301 VanDerWaalsContact O-CG1 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.44Å; L297-I301 PolarHBondContact O-N 2.98Å
298	R	69.2	Low	69.8	Low	45 Å²	45	76 Å²	76	17%	0.17	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-46.4	175.1	-72.7	-172.3	-48.8	-147.5	7	112	G266 S272 A294 F295 H300 I301 E302	G266-R298 PolarHBondContact O-NH2 3.47Å; S272-R298 PolarHBondContact O-NH1 3.37Å; A294-R298 WeakPolarHBondContact O-CG 3.27Å; A294-R298 PolarHBondContact O-N 3.32Å; F295-R298 PolarHBondContact O-N 3.06Å; R298-H300 VanDerWaalsContact C-N 3.26Å; R298-H300 PolarHBondContact O-N 2.87Å; R298-I301 PolarHBondContact O-N 3.06Å; R298-E302 WeakPolarHBondContact O-CB 3.18Å; R298-E302 PolarHBondContact O-N 3.38Å
299	D	76.3	Confident	68	Low	64 Å²	64	78 Å²	78	34%	0.342	41%	0.413	S	S	.	.	H	α-helix	trans	-60.6	-36.9	177	-178.8	68.8	0	0	0	111.8	F295 D296 K303	F295-D299 PolarHBondContact O-N 2.88Å; D296-D299 PolarHBondContact O-N 3.26Å; D299-K303 WeakPolarHBondContact O-CB 3.49Å; D299-K303 WeakPolarHBondContact O-CD 3.34Å; D299-K303 VanDerWaalsContact O-CG 3.27Å; D299-K303 WeakPolarHBondContact O-CG 3.48Å; D299-K303 PolarHBondContact O-N 3.01Å; D299-K303 VanDerWaalsContact O-N 3.12Å; D299-K303 WeakPolarHBondContact OD1-CE 3.08Å; D299-K303 IonicContact OD1-NZ 3.41Å; D299-K303 PolarHBondContact OD1-NZ 2.95Å; D299-K303 IonicContact OD2-NZ 3.88Å; D299-K303 PolarHBondContact OD2-NZ 3.16Å
300	H	79.4	Confident	66	Low	15 Å²	15	76.6 Å²	76.6	7%	0.069	42%	0.416	C	S	.	.	H	α-helix	trans	-66.8	-47.2	171.7	167.4	73.9	0	0	0	113.1	C284 C287 F291 D296 L297 R298 E302 K303 E304 H305	C284-H300 PolarHBondContact SG-NE2 2.85Å; C287-H300 PolarHBondContact SG-NE2 3.02Å; F291-H300 HydrophobicContact CD1-CB 4.38Å; F291-H300 HydrophobicContact CE1-CB 3.64Å; F291-H300 AromaticContact CE1-CG 3.84Å; F291-H300 HydrophobicContact CE2-CB 4.04Å; F291-H300 AromaticContact CE2-CD2 3.61Å; F291-H300 AromaticContact CE2-CG 3.7Å; F291-H300 HydrophobicContact CZ-CB 3.46Å; F291-H300 VanDerWaalsContact CZ-CB 3.46Å; F291-H300 AromaticContact CZ-CD2 3.54Å; F291-H300 AromaticContact CZ-CG 3.15Å; F291-H300 AromaticContact CZ-ND1 3.5Å; D296-H300 VanDerWaalsContact O-CB 3.3Å; D296-H300 WeakPolarHBondContact O-CB 3.25Å; D296-H300 PolarHBondContact O-N 3.26Å; L297-H300 PolarHBondContact O-N 3.09Å; R298-H300 VanDerWaalsContact C-N 3.26Å; R298-H300 PolarHBondContact O-N 2.87Å; H300-E302 VanDerWaalsContact C-N 3.29Å; H300-E302 PolarHBondContact O-N 3.47Å; H300-K303 PolarHBondContact O-N 3.27Å; H300-E304 WeakPolarHBondContact ND1-CG 3.43Å; H300-E304 WeakPolarHBondContact O-CB 3.46Å; H300-E304 PolarHBondContact O-N 3.12Å; H300-H305 AromaticContact CE1-NE2 3.84Å; H300-H305 AromaticContact NE2-CD2 3.54Å; H300-H305 AromaticContact NE2-NE2 3.11Å; H300-H305 PolarHBondContact NE2-NE2 3.42Å; H300-H305 VanDerWaalsContact NE2-NE2 3.11Å
301	I	80.2	Confident	63.9	Low	61 Å²	61	77.6 Å²	77.6	31%	0.313	42%	0.424	S	S	.	.	I	π-helix	trans	-60.5	-41.5	176.7	-69.7	164.4	0	0	0	110.5	L297 R298 K303 H305 T306	L297-I301 HydrophobicContact CD1-CD1 3.8Å; L297-I301 HydrophobicContact CD1-CG1 4.09Å; L297-I301 HydrophobicContact CG-CD1 3.93Å; L297-I301 VanDerWaalsContact O-CG1 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.44Å; L297-I301 PolarHBondContact O-N 2.98Å; R298-I301 PolarHBondContact O-N 3.06Å; I301-K303 VanDerWaalsContact C-N 3.3Å; I301-K303 PolarHBondContact O-N 3.3Å; I301-H305 HydrophobicContact CG2-CB 4.33Å; I301-H305 CarbonylContact O-C 3.59Å; I301-H305 WeakPolarHBondContact O-CA 3.43Å; I301-H305 WeakPolarHBondContact O-CB 3.38Å; I301-H305 PolarHBondContact O-N 3.32Å; I301-T306 PolarHBondContact O-N 3.22Å
302	E	76.8	Confident	61.9	Low	139 Å²	139	81.2 Å²	81.2	65%	0.65	45%	0.454	S	S	*	.	I	π-helix	trans	-67.3	-26.5	178.3	-168.2	172.7	-175.6	0	0	113.1	R298 H300 T306	R298-E302 WeakPolarHBondContact O-CB 3.18Å; R298-E302 PolarHBondContact O-N 3.38Å; H300-E302 VanDerWaalsContact C-N 3.29Å; H300-E302 PolarHBondContact O-N 3.47Å; E302-T306 PolarHBondContact O-OG1 3Å
303	K	74.3	Confident	60.3	Low	132 Å²	132	85.1 Å²	85.1	57%	0.574	47%	0.469	S	S	*	.	I	π-helix	trans	-94.1	-41.4	179.5	-73.1	170.1	-175.5	165.1	0	114.2	D299 H300 I301	D299-K303 WeakPolarHBondContact O-CB 3.49Å; D299-K303 WeakPolarHBondContact O-CD 3.34Å; D299-K303 VanDerWaalsContact O-CG 3.27Å; D299-K303 WeakPolarHBondContact O-CG 3.48Å; D299-K303 PolarHBondContact O-N 3.01Å; D299-K303 VanDerWaalsContact O-N 3.12Å; D299-K303 WeakPolarHBondContact OD1-CE 3.08Å; D299-K303 IonicContact OD1-NZ 3.41Å; D299-K303 PolarHBondContact OD1-NZ 2.95Å; D299-K303 IonicContact OD2-NZ 3.88Å; D299-K303 PolarHBondContact OD2-NZ 3.16Å; H300-K303 PolarHBondContact O-N 3.27Å; I301-K303 VanDerWaalsContact C-N 3.3Å; I301-K303 PolarHBondContact O-N 3.3Å
304	E	72.1	Confident	59.2	Low	137 Å²	137	91.9 Å²	91.9	64%	0.64	50%	0.502	S	S	*	.	I	π-helix	trans	-105.3	-19.3	-168.5	-57.9	-63.7	141.2	0	0	113.2	H300	H300-E304 WeakPolarHBondContact ND1-CG 3.43Å; H300-E304 WeakPolarHBondContact O-CB 3.46Å; H300-E304 PolarHBondContact O-N 3.12Å
305	H	71.7	Confident	57.5	Low	54 Å²	54	99.1 Å²	99.1	25%	0.25	54%	0.538	C	S	.	.	I	π-helix	trans	-121.3	-6.1	-173.4	-61.9	-34.4	0	0	0	115.2	C284 H300 I301 V307	C284-H305 PolarHBondContact SG-NE2 3.48Å; H300-H305 AromaticContact CE1-NE2 3.84Å; H300-H305 AromaticContact NE2-CD2 3.54Å; H300-H305 AromaticContact NE2-NE2 3.11Å; H300-H305 PolarHBondContact NE2-NE2 3.42Å; H300-H305 VanDerWaalsContact NE2-NE2 3.11Å; I301-H305 HydrophobicContact CG2-CB 4.33Å; I301-H305 CarbonylContact O-C 3.59Å; I301-H305 WeakPolarHBondContact O-CA 3.43Å; I301-H305 WeakPolarHBondContact O-CB 3.38Å; I301-H305 PolarHBondContact O-N 3.32Å; H305-V307 PolarHBondContact O-N 2.94Å
306	T	61.4	Low	56	Low	84 Å²	84	100.2 Å²	100.2	52%	0.515	56%	0.555	S	S	.	*			trans	-76.1	94.5	164.3	62	0	0	0	0	109.7	I301 E302 P308	I301-T306 PolarHBondContact O-N 3.22Å; E302-T306 PolarHBondContact O-OG1 3Å; T306-P308 VanDerWaalsContact O-CD 3.3Å; T306-P308 WeakPolarHBondContact O-CD 3.21Å
307	V	50.6	Low	53.9	Low	129 Å²	129	104.9 Å²	104.9	78%	0.782	58%	0.58	S	S	*	*			trans	-63.5	118.2	171.6	-179.4	0	0	0	0	108.6	H305	H305-V307 PolarHBondContact O-N 2.94Å
308	P	42.7	Very low	51.7	Low	87 Å²	87	113.2 Å²	113.2	57%	0.565	62%	0.619	S	S	*	*			trans	-65.7	135.4	174.7	27.2	-33.2	0	0	0	109.4	T306 S310	T306-P308 VanDerWaalsContact O-CD 3.3Å; T306-P308 WeakPolarHBondContact O-CD 3.21Å; P308-S310 PolarHBondContact O-N 3.17Å
309	P	39	Very low	49.9	Very low	143 Å²	143	115.4 Å²	115.4	93%	0.929	65%	0.647	S	S	*	*	S	Bend	trans	-76.8	76.9	-180	31.7	-35.1	0	0	0	110.5
310	S	33.6	Very low	47.9	Very low	79 Å²	79	121.9 Å²	121.9	55%	0.552	67%	0.672	S	S	*	*			trans	-138.7	131.7	175.7	47.5	0	0	0	0	110.3	P308	P308-S310 PolarHBondContact O-N 3.17Å
311	D	31.3	Very low	45.8	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	71%	0.711	S	S	*	*			trans	70.2	70.8	172.2	-55.8	-24	0	0	0	118
312	S	35.1	Very low	43.8	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	73%	0.73	S	S	*	*			trans	-146.9	66.7	153.6	-29.1	0	0	0	0	113.2	L314	S312-L314 PolarHBondContact O-N 3.46Å
313	N	30.3	Very low	42.1	Very low	167 Å²	167	129.3 Å²	129.3	89%	0.893	73%	0.727	S	S	*	*			trans	-71	102.9	154.4	-81.3	-57.7	0	0	0	108.2
314	L	35.3	Very low	40.5	Very low	170 Å²	170	129.2 Å²	129.2	89%	0.89	73%	0.733	S	S	*	*			trans	-175.5	129.8	147.1	-101.3	160.6	0	0	0	110.2	S312	S312-L314 PolarHBondContact O-N 3.46Å
315	I	32.2	Very low	39.1	Very low	161 Å²	161	127.9 Å²	127.9	83%	0.826	73%	0.734	S	S	*	*			trans	-84.2	123.6	178.2	-61.6	164.2	0	0	0	108.9
316	S	31.7	Very low	37.4	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	75%	0.751	S	S	*	*			trans	-166.2	102	148.6	58.4	0	0	0	0	111.3
317	D	31.1	Very low	36.3	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	75%	0.751	S	S	*	*			trans	33.8	124.5	131.7	-53	-29.1	0	0	0	120.8
318	E	31	Very low	35.6	Very low	191 Å²	191	131.3 Å²	131.3	89%	0.893	75%	0.745	S	S	*	*			trans	85.4	140.3	150.3	-43.2	-131.5	124.8	0	0	119.9
319	A	31.3	Very low	35.5	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	74%	0.74	S	S	*	*	S	Bend	trans	80.8	110.8	168.2	0	0	0	0	0	120.2
320	K	35.5	Very low	35.6	Very low	199 Å²	199	129.9 Å²	129.9	87%	0.865	73%	0.725	S	S	*	*			trans	71.4	77.3	148.2	-57.6	176.1	-177.7	-178.8	0	117.7
321	T	33.8	Very low	36.1	Very low	146 Å²	146	131.1 Å²	131.1	90%	0.896	73%	0.725	S	S	*	*			trans	-76.9	127.2	163.2	43.9	0	0	0	0	111.7
322	N	39.2	Very low	36.6	Very low	134 Å²	134	128.7 Å²	128.7	72%	0.717	71%	0.712	S	S	*	*			trans	-72	145.9	-178.6	-81.2	-39.5	0	0	0	113.1	L324	N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.2Å
323	P	40.4	Very low	37	Very low	91 Å²	91	127.3 Å²	127.3	59%	0.591	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-15.2	-173	27.3	-35.7	0	0	0	115.1	V325 Q326	P323-V325 VanDerWaalsContact C-N 3.26Å; P323-V325 PolarHBondContact O-N 3.22Å; P323-Q326 PolarHBondContact O-N 2.98Å
324	L	40.6	Very low	37.5	Very low	131 Å²	131	126.8 Å²	126.8	69%	0.686	69%	0.691	S	S	*	*	H	α-helix	trans	-69.4	-20.4	-170.4	-138.6	139.2	0	0	0	113.8	N322 T328	N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.2Å; L324-T328 PolarHBondContact O-OG1 3.41Å
325	V	43.3	Very low	38	Very low	109 Å²	109	126.6 Å²	126.6	66%	0.661	69%	0.685	S	S	*	*	H	α-helix	trans	-77.8	-21.4	177.1	-177.8	0	0	0	0	112.6	P323 S329	P323-V325 VanDerWaalsContact C-N 3.26Å; P323-V325 PolarHBondContact O-N 3.22Å; V325-S329 PolarHBondContact O-OG 3.18Å
326	Q	35.7	Very low	38	Very low	133 Å²	133	128.4 Å²	128.4	62%	0.621	68%	0.681	S	S	*	*	H	α-helix	trans	-76.6	-35.6	178.6	-72.5	-179.7	-33.3	0	0	112.3	P323 T328 S329 Q330	P323-Q326 PolarHBondContact O-N 2.98Å; Q326-T328 PolarHBondContact O-N 3.18Å; Q326-S329 PolarHBondContact O-N 2.86Å; Q326-Q330 PolarHBondContact O-N 3.04Å
327	I	37.7	Very low	38.1	Very low	101 Å²	101	131.3 Å²	131.3	52%	0.518	69%	0.687	S	S	.	*	H	α-helix	trans	-62.7	-43.9	-177.7	-56.8	173.6	0	0	0	110.8	S329 Q330 L331	I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 2.85Å; I327-Q330 PolarHBondContact O-N 3.42Å; I327-L331 HydrophobicContact CG2-CD1 4.45Å
328	T	36.9	Very low	38.1	Very low	105 Å²	105	132.4 Å²	132.4	64%	0.644	69%	0.694	S	S	*	*	H	α-helix	trans	-67	-25.1	-179.6	-27.4	0	0	0	0	113.3	L324 Q326	L324-T328 PolarHBondContact O-OG1 3.41Å; Q326-T328 PolarHBondContact O-N 3.18Å
329	S	40	Very low	38	Very low	66 Å²	66	127.1 Å²	127.1	46%	0.462	69%	0.69	S	S	.	*	H	α-helix	trans	-87.7	-23.8	-179.4	-60.7	0	0	0	0	113.4	V325 Q326 I327 T333	V325-S329 PolarHBondContact O-OG 3.18Å; Q326-S329 PolarHBondContact O-N 2.86Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 2.85Å; S329-T333 PolarHBondContact O-OG1 3.18Å
330	Q	42.5	Very low	38.3	Very low	133 Å²	133	130.6 Å²	130.6	62%	0.621	69%	0.69	S	S	*	*	H	α-helix	trans	-80.9	-33.3	-178.6	-73.5	176.7	-8.2	0	0	112.9	Q326 I327 L332 T333	Q326-Q330 PolarHBondContact O-N 3.04Å; I327-Q330 PolarHBondContact O-N 3.42Å; Q330-L332 VanDerWaalsContact C-N 3.35Å; Q330-L332 PolarHBondContact O-N 3.38Å; Q330-T333 PolarHBondContact O-N 3.2Å
331	L	44.1	Very low	38	Very low	105 Å²	105	128.1 Å²	128.1	55%	0.55	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.8	-23.2	-177	-72.4	167	0	0	0	114.7	I327 T333	I327-L331 HydrophobicContact CG2-CD1 4.45Å; L331-T333 VanDerWaalsContact C-N 3.3Å; L331-T333 PolarHBondContact O-N 2.89Å
332	L	41	Very low	38.3	Very low	108 Å²	108	128.1 Å²	128.1	57%	0.565	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-1.6	179	-139.4	68.9	0	0	0	113.8	Q330 P355	Q330-L332 VanDerWaalsContact C-N 3.35Å; Q330-L332 PolarHBondContact O-N 3.38Å; L332-P355 HydrophobicContact CD2-CG 4.17Å; L332-P355 WeakPolarHBondContact CD2-O 3.36Å
333	T	42.7	Very low	38	Very low	91 Å²	91	127.2 Å²	127.2	56%	0.558	68%	0.683	S	S	*	*	S	Bend	trans	-104.5	-13.2	-172	-48.2	0	0	0	0	113.4	S329 Q330 L331 Q335	S329-T333 PolarHBondContact O-OG1 3.18Å; Q330-T333 PolarHBondContact O-N 3.2Å; L331-T333 VanDerWaalsContact C-N 3.3Å; L331-T333 PolarHBondContact O-N 2.89Å; T333-Q335 PolarHBondContact O-N 3.4Å; T333-Q335 VanDerWaalsContact O-N 3.09Å
334	Q	42.8	Very low	37.9	Very low	156 Å²	156	129.3 Å²	129.3	73%	0.729	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	18.3	177.1	-64.5	-174.8	-1.6	0	0	114.8
335	Q	44.3	Very low	37.6	Very low	165 Å²	165	127.3 Å²	127.3	77%	0.771	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	22.1	170.6	-69.1	-163.8	-5.7	0	0	113.2	T333	T333-Q335 PolarHBondContact O-N 3.4Å; T333-Q335 VanDerWaalsContact O-N 3.09Å
336	R	33.3	Very low	36.9	Very low	199 Å²	199	129.1 Å²	129.1	75%	0.751	70%	0.696	S	S	*	*			trans	-141.9	165.8	168.8	-57.4	-174.1	-156.7	158.8	9.6	108.9
337	I	32.4	Very low	36.8	Very low	162 Å²	162	131.9 Å²	131.9	83%	0.831	71%	0.707	S	S	*	*			trans	87.9	86.2	-174.2	-50	159.5	0	0	0	111.9
338	D	31.1	Very low	36.6	Very low	165 Å²	165	133.5 Å²	133.5	88%	0.882	72%	0.716	S	S	*	*			trans	-160.4	116.9	137.6	-98.4	-29.6	0	0	0	109.1
339	G	28.9	Very low	36.2	Very low	79 Å²	79	137.1 Å²	137.1	81%	0.814	73%	0.726	S	S	*	*			trans	66.3	87.3	156.8	0	0	0	0	0	121.6
340	H	38.2	Very low	35.9	Very low	165 Å²	165	140.7 Å²	140.7	76%	0.764	74%	0.744	S	S	*	*				-163	119.5	128.6	-161.8	-71.7	0	0	0	110.7	D342	H340-D342 IonicContact CE1-OD2 3.69Å
341	D	29.1	Very low	35.4	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	75%	0.754	S	S	*	*			trans	-79.5	131.1	173.1	-62.2	-76.3	0	0	0	111.1
342	D	39.6	Very low	34.7	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	77%	0.767	S	S	*	*			trans	-174.2	108.7	154	-100.5	-38.3	0	0	0	110.5	H340	H340-D342 IonicContact CE1-OD2 3.69Å
343	P	33.8	Very low	34.5	Very low	116 Å²	116	148.4 Å²	148.4	75%	0.753	78%	0.782	S	S	*	*			trans	-93.8	146.7	172.4	34.8	-30.6	0	0	0	111.7
344	V	39.1	Very low	34.1	Very low	134 Å²	134	147 Å²	147	81%	0.812	78%	0.78	S	S	*	*				173	113.8	127.9	153.5	0	0	0	0	113.1
345	S	33.3	Very low	33.8	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	77%	0.771	S	S	*	*			trans	52	119.7	150.6	74.9	0	0	0	0	123.7
346	N	28.3	Very low	33.3	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	77%	0.769	S	S	*	*			trans	70.3	109.4	130.9	-57.3	-5.1	0	0	0	120.1
347	F	34	Very low	33.4	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.842	77%	0.772	S	S	*	*				-168.6	119.3	110.4	-101.1	-70.7	0	0	0	111.5
348	D	33.5	Very low	33.4	Very low	134 Å²	134	140.6 Å²	140.6	72%	0.717	77%	0.769	S	S	*	*			trans	39.7	111.7	155.5	-53.7	-24.1	0	0	0	123.3
349	H	28.9	Very low	33.4	Very low	182 Å²	182	135.7 Å²	135.7	84%	0.843	76%	0.757	S	S	*	*			trans	42.2	94.2	140.9	-83.7	-82	0	0	0	120.6
350	V	33	Very low	33.6	Very low	141 Å²	141	139.1 Å²	139.1	86%	0.855	76%	0.762	S	S	*	*			trans	-140.7	121.9	141.5	-176.3	0	0	0	0	109.4
351	E	31.4	Very low	33.7	Very low	178 Å²	178	136.5 Å²	136.5	83%	0.832	76%	0.758	S	S	*	*			trans	-69.8	147.1	178.6	-97.9	172	131.6	0	0	113.3	L353	E351-L353 PolarHBondContact O-N 3.44Å
352	I	31.1	Very low	34.9	Very low	161 Å²	161	137.6 Å²	137.6	83%	0.826	76%	0.764	S	S	*	*			trans	-87.5	99.5	-167.5	-60.3	169.2	0	0	0	109.8
353	L	36.1	Very low	36.4	Very low	168 Å²	168	134.3 Å²	134.3	88%	0.88	75%	0.749	S	S	*	*			trans	-86.2	119.9	174.5	-74.1	166.9	0	0	0	111.6	E351	E351-L353 PolarHBondContact O-N 3.44Å
354	A	34.2	Very low	38.5	Very low	62 Å²	62	129.7 Å²	129.7	51%	0.512	72%	0.719	S	S	.	*			trans	-67.8	149.8	171.4	0	0	0	0	0	111.7	N356	A354-N356 PolarHBondContact O-N 3.04Å
355	P	36.3	Very low	40.6	Very low	81 Å²	81	125.8 Å²	125.8	53%	0.526	70%	0.698	S	S	.	*			trans	-81.1	86.4	-177.9	32	-32.3	0	0	0	111.6	L332 F357	L332-P355 HydrophobicContact CD2-CG 4.17Å; L332-P355 WeakPolarHBondContact CD2-O 3.36Å; P355-F357 PolarHBondContact O-N 3.26Å
356	N	34.2	Very low	43	Very low	140 Å²	140	121.5 Å²	121.5	75%	0.749	67%	0.668	S	S	*	*			trans	-65.2	116.7	171.8	-76.4	-13.9	0	0	0	111.2	A354 N358	A354-N356 PolarHBondContact O-N 3.04Å; N356-N358 PolarHBondContact O-N 2.85Å
357	F	36	Very low	45.6	Very low	184 Å²	184	120.2 Å²	120.2	81%	0.807	65%	0.652	S	S	*	*			trans	-84.8	87.6	173	-170.4	-88.8	0	0	0	109.8	P355	P355-F357 PolarHBondContact O-N 3.26Å
358	N	31.6	Very low	48	Very low	143 Å²	143	111.1 Å²	111.1	77%	0.765	61%	0.612	S	S	*	*	S	Bend	trans	166	137.9	147.2	-86.2	-24.1	0	0	0	110.7	N356	N356-N358 PolarHBondContact O-N 2.85Å
359	G	30.3	Very low	50.4	Low	61 Å²	61	105.4 Å²	105.4	63%	0.629	58%	0.583	S	S	*	*	S	Bend	trans	83	95.1	165.3	0	0	0	0	0	117.3	T361	G359-T361 PolarHBondContact O-N 3.24Å
360	T	33.1	Very low	52.9	Low	151 Å²	151	98 Å²	98	93%	0.926	56%	0.555	S	S	*	*			trans	49.7	61.3	150.9	49.2	0	0	0	0	118.5
361	T	40.2	Very low	55.2	Low	110 Å²	110	96.3 Å²	96.3	68%	0.675	54%	0.536	S	S	*	.			trans	-121.6	137.4	147.1	62.6	0	0	0	0	109.5	G359 T363	G359-T361 PolarHBondContact O-N 3.24Å; T361-T363 PolarHBondContact O-N 3.26Å
362	N	54.4	Low	57.7	Low	169 Å²	169	92.5 Å²	92.5	90%	0.904	53%	0.525	S	S	*	.			trans	-78.4	51.8	-171	-79.6	-45.9	0	0	0	113	P364	N362-P364 VanDerWaalsContact O-CD 3.26Å; N362-P364 WeakPolarHBondContact O-CD 3.47Å
363	T	71	Confident	60.3	Low	77 Å²	77	85.6 Å²	85.6	47%	0.472	49%	0.492	S	S	.	.			trans	-84	113.8	175.2	53.5	0	0	0	0	110.4	T361 S365	T361-T363 PolarHBondContact O-N 3.26Å; T363-S365 PolarHBondContact O-N 3.33Å
364	P	77.7	Confident	62.4	Low	19 Å²	19	82 Å²	82	12%	0.123	49%	0.486	C	S	.	.			trans	-77.9	114.6	-178	28.3	-33.3	0	0	0	111.6	N362 A373 S375 K376 L379	N362-P364 VanDerWaalsContact O-CD 3.26Å; N362-P364 WeakPolarHBondContact O-CD 3.47Å; P364-A373 VanDerWaalsContact CD-O 3.23Å; P364-A373 WeakPolarHBondContact CD-O 3.32Å; P364-A373 WeakPolarHBondContact O-CB 3.44Å; P364-A373 PolarHBondContact O-N 3.09Å; P364-S375 WeakPolarHBondContact CG-O 3.35Å; P364-K376 HydrophobicContact CB-CG 4.05Å; P364-K376 HydrophobicContact CG-CB 4.47Å; P364-K376 HydrophobicContact CG-CG 3.97Å; P364-L379 HydrophobicContact CB-CB 4.15Å; P364-L379 HydrophobicContact CB-CD2 3.73Å; P364-L379 HydrophobicContact CG-CB 4.37Å
365	S	83.5	Confident	64.6	Low	52 Å²	52	81.1 Å²	81.1	36%	0.364	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-97.8	151	174.6	61.1	0	0	0	0	112.8	T363 R367 K371	T363-S365 PolarHBondContact O-N 3.33Å; S365-R367 PolarHBondContact O-N 3.37Å; S365-K371 CarbonylContact C-O 3.59Å; S365-K371 WeakPolarHBondContact CA-O 3.47Å
366	C	84.1	Confident	66.7	Low	0 Å²	0	83.7 Å²	83.7	0%	0	48%	0.479	C	S	.	.			trans	-74.3	122.2	171.2	-176.2	0	0	0	0	110.5	I368 C369 G370 K371 L379 H382 H387	C366-I368 VanDerWaalsContact C-N 3.34Å; C366-I368 PolarHBondContact O-N 2.81Å; C366-C369 VanDerWaalsContact SG-SG 3.69Å; C366-G370 WeakPolarHBondContact O-CA 3.42Å; C366-G370 PolarHBondContact O-N 2.91Å; C366-K371 PolarHBondContact N-O 2.87Å; C366-L379 HydrophobicContact CB-CD1 3.85Å; C366-H382 WeakPolarHBondContact CB-NE2 3.43Å; C366-H382 PolarHBondContact SG-NE2 3.21Å; C366-H387 PolarHBondContact SG-NE2 3.22Å
367	R	83.6	Confident	69	Low	120 Å²	120	81.7 Å²	81.7	45%	0.453	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.1	-178.7	-64.6	174.5	167.9	-155.1	-2.2	113.7	F227 S365 M405	F227-R367 HydrophobicContact CE1-CB 3.92Å; F227-R367 HydrophobicContact CZ-CB 3.98Å; F227-R367 HydrophobicContact CZ-CG 4.37Å; S365-R367 PolarHBondContact O-N 3.37Å; R367-M405 HydrophobicContact CB-CE 3.73Å; R367-M405 HydrophobicContact CB-SD 3.5Å; R367-M405 VanDerWaalsContact CB-SD 3.5Å; R367-M405 HydrophobicContact CG-CE 3.99Å; R367-M405 HydrophobicContact CG-SD 4.2Å
368	I	83.1	Confident	71.2	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-63.2	173.8	-61.5	154.5	0	0	0	110.3	F227 C366 H387 P393 Y394 S404	F227-I368 HydrophobicContact CD1-CD1 3.93Å; F227-I368 HydrophobicContact CD1-CG1 3.91Å; F227-I368 HydrophobicContact CE1-CD1 3.8Å; F227-I368 HydrophobicContact CE1-CG1 3.81Å; C366-I368 VanDerWaalsContact C-N 3.34Å; C366-I368 PolarHBondContact O-N 2.81Å; I368-H387 HydrophobicContact CD1-CB 4.13Å; I368-H387 WeakPolarHBondContact CG2-CE1 3.29Å; I368-P393 HydrophobicContact CG2-CG 3.92Å; I368-Y394 PolarHBondContact O-OH 3.21Å; I368-S404 WeakPolarHBondContact CA-O 3.44Å; I368-S404 WeakPolarHBondContact CG1-O 3.34Å
369	C	84.4	Confident	73.8	Confident	15 Å²	15	71.8 Å²	71.8	10%	0.101	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.3	-173.8	68.8	0	0	0	0	115.9	C366 K371 H382 H387 R487	C366-C369 VanDerWaalsContact SG-SG 3.69Å; C369-K371 VanDerWaalsContact C-N 3.31Å; C369-K371 PolarHBondContact O-N 2.93Å; C369-K371 VanDerWaalsContact SG-CG 3.6Å; C369-H382 PolarHBondContact SG-CE1 3.39Å; C369-H382 PolarHBondContact SG-NE2 3.18Å; C369-H387 PolarHBondContact SG-NE2 3.22Å; C369-H387 VanDerWaalsContact SG-NE2 3.39Å; C369-R487 WeakPolarHBondContact O-CG 3.37Å
370	G	81.7	Confident	76.3	Confident	25 Å²	25	69 Å²	69	26%	0.258	39%	0.394	S	S	.	.			trans	82.2	-7.6	179	0	0	0	0	0	116.2	C366 V372 R487	C366-G370 WeakPolarHBondContact O-CA 3.42Å; C366-G370 PolarHBondContact O-N 2.91Å; G370-V372 PolarHBondContact O-N 2.98Å; G370-R487 VanDerWaalsContact CA-NE 3.34Å
371	K	82.3	Confident	78.7	Confident	107 Å²	107	67.4 Å²	67.4	47%	0.465	38%	0.376	S	S	.	.			trans	-60.3	122.1	-178.9	-67.5	177	-171.9	175.4	0	111.3	S365 C366 C369 P484	S365-K371 CarbonylContact C-O 3.59Å; S365-K371 WeakPolarHBondContact CA-O 3.47Å; C366-K371 PolarHBondContact N-O 2.87Å; C369-K371 VanDerWaalsContact C-N 3.31Å; C369-K371 PolarHBondContact O-N 2.93Å; C369-K371 VanDerWaalsContact SG-CG 3.6Å; K371-P484 PolarHBondContact NZ-O 3.38Å
372	V	83.5	Confident	80.8	Confident	98 Å²	98	63.3 Å²	63.3	59%	0.594	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-77.8	130.3	174.3	-176.1	0	0	0	0	109.2	G370	G370-V372 PolarHBondContact O-N 2.98Å
373	A	84.7	Confident	82.3	Confident	15 Å²	15	55.3 Å²	55.3	12%	0.124	31%	0.306	C	S	.	.			trans	-111.4	147	174.6	0	0	0	0	0	110.8	P364 S375 L378 L379	P364-A373 VanDerWaalsContact CD-O 3.23Å; P364-A373 WeakPolarHBondContact CD-O 3.32Å; P364-A373 WeakPolarHBondContact O-CB 3.44Å; P364-A373 PolarHBondContact O-N 3.09Å; A373-S375 VanDerWaalsContact C-N 3.29Å; A373-S375 PolarHBondContact O-N 3.13Å; A373-L378 HydrophobicContact CB-CB 4.13Å; A373-L379 HydrophobicContact CB-CB 4.05Å
374	A	80.3	Confident	82.8	Confident	92 Å²	92	56.4 Å²	56.4	76%	0.76	31%	0.306	S	S	*	.	S	Bend	trans	-72.9	-17.4	-179.4	0	0	0	0	0	114	L378	A374-L378 HydrophobicContact CB-CD1 4.08Å
375	S	81.4	Confident	83	Confident	45 Å²	45	59.4 Å²	59.4	32%	0.315	33%	0.327	S	S	.	.	S	Bend	trans	-151	158.5	178.4	85.1	0	0	0	0	112.3	P364 A373 L377 L378 L379	P364-S375 WeakPolarHBondContact CG-O 3.35Å; A373-S375 VanDerWaalsContact C-N 3.29Å; A373-S375 PolarHBondContact O-N 3.13Å; S375-L377 PolarHBondContact O-N 3.32Å; S375-L377 PolarHBondContact OG-N 3.2Å; S375-L378 PolarHBondContact O-N 3.39Å; S375-L378 VanDerWaalsContact O-N 3.12Å; S375-L378 PolarHBondContact OG-N 3.27Å; S375-L379 PolarHBondContact O-N 3.06Å
376	K	80	Confident	82.9	Confident	134 Å²	134	58.8 Å²	58.8	58%	0.583	32%	0.321	S	S	*	.	H	α-helix	trans	-65.3	-25.7	-179.3	-67.7	-173.7	178.7	-177.9	0	112.3	L205 P364 A380	L205-K376 HydrophobicContact CD1-CB 3.64Å; L205-K376 HydrophobicContact CD1-CD 3.91Å; L205-K376 HydrophobicContact CD1-CG 4.38Å; P364-K376 HydrophobicContact CB-CG 4.05Å; P364-K376 HydrophobicContact CG-CB 4.47Å; P364-K376 HydrophobicContact CG-CG 3.97Å; K376-A380 WeakPolarHBondContact O-CB 3.45Å; K376-A380 PolarHBondContact O-N 3.1Å
377	L	81.5	Confident	82.8	Confident	99 Å²	99	59.2 Å²	59.2	52%	0.518	32%	0.323	S	S	.	.	H	α-helix	trans	-72.8	-40.3	174.6	-172.5	66	0	0	0	111.3	S375 A380 H381	S375-L377 PolarHBondContact O-N 3.32Å; S375-L377 PolarHBondContact OG-N 3.2Å; L377-A380 PolarHBondContact O-N 2.85Å; L377-H381 PolarHBondContact O-N 3.4Å
378	L	83.4	Confident	82.6	Confident	93 Å²	93	60.9 Å²	60.9	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-38.9	173	-70.4	171.8	0	0	0	111.7	A373 A374 S375 A380 H381 H382	A373-L378 HydrophobicContact CB-CB 4.13Å; A374-L378 HydrophobicContact CB-CD1 4.08Å; S375-L378 PolarHBondContact O-N 3.39Å; S375-L378 VanDerWaalsContact O-N 3.12Å; S375-L378 PolarHBondContact OG-N 3.27Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-H381 PolarHBondContact O-N 3.38Å; L378-H382 WeakPolarHBondContact O-CB 3.06Å; L378-H382 PolarHBondContact O-N 2.85Å
379	L	85.9	Confident	82.3	Confident	26 Å²	26	63.3 Å²	63.3	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-45.2	170.7	176.2	60.6	0	0	0	111.1	P364 C366 A373 S375 H382 L383	P364-L379 HydrophobicContact CB-CB 4.15Å; P364-L379 HydrophobicContact CB-CD2 3.73Å; P364-L379 HydrophobicContact CG-CB 4.37Å; C366-L379 HydrophobicContact CB-CD1 3.85Å; A373-L379 HydrophobicContact CB-CB 4.05Å; S375-L379 PolarHBondContact O-N 3.06Å; L379-H382 PolarHBondContact O-N 3.47Å; L379-L383 HydrophobicContact CD1-CD1 4.34Å; L379-L383 HydrophobicContact CD1-CG 4.21Å; L379-L383 HydrophobicContact CG-CD1 4.13Å; L379-L383 HydrophobicContact CG-CG 4.45Å; L379-L383 WeakPolarHBondContact O-CG 3.3Å; L379-L383 PolarHBondContact O-N 3.42Å
380	A	82.2	Confident	81.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-38.4	179.9	0	0	0	0	0	112.8	I198 L205 I222 K376 L377 L378 L383 Q384	I198-A380 HydrophobicContact CD1-CB 3.87Å; I198-A380 HydrophobicContact CG2-CB 4.18Å; L205-A380 HydrophobicContact CD2-CB 3.96Å; I222-A380 HydrophobicContact CD1-CB 3.62Å; K376-A380 WeakPolarHBondContact O-CB 3.45Å; K376-A380 PolarHBondContact O-N 3.1Å; L377-A380 PolarHBondContact O-N 2.85Å; L378-A380 VanDerWaalsContact C-N 3.34Å; A380-L383 PolarHBondContact O-N 2.99Å; A380-Q384 WeakPolarHBondContact O-CB 3.36Å; A380-Q384 PolarHBondContact O-N 3.18Å
381	H	84.2	Confident	81.7	Confident	118 Å²	118	65.6 Å²	65.6	55%	0.546	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-42.7	171.4	-179.9	-99.9	0	0	0	111.8	L377 L378 Q384 S385	L377-H381 PolarHBondContact O-N 3.4Å; L378-H381 PolarHBondContact O-N 3.38Å; H381-Q384 PolarHBondContact O-N 2.86Å; H381-S385 WeakPolarHBondContact O-CB 3.46Å; H381-S385 PolarHBondContact O-N 2.83Å; H381-S385 PolarHBondContact O-OG 2.94Å
382	H	85	Confident	81.7	Confident	24 Å²	24	61.1 Å²	61.1	11%	0.111	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-42.8	174.9	161.8	57.4	0	0	0	112.6	C366 C369 L378 L379 Q384 S385 T386 H387	C366-H382 WeakPolarHBondContact CB-NE2 3.43Å; C366-H382 PolarHBondContact SG-NE2 3.21Å; C369-H382 PolarHBondContact SG-CE1 3.39Å; C369-H382 PolarHBondContact SG-NE2 3.18Å; L378-H382 WeakPolarHBondContact O-CB 3.06Å; L378-H382 PolarHBondContact O-N 2.85Å; L379-H382 PolarHBondContact O-N 3.47Å; H382-Q384 VanDerWaalsContact C-N 3.3Å; H382-Q384 PolarHBondContact O-N 3.36Å; H382-S385 PolarHBondContact O-N 3.18Å; H382-S385 PolarHBondContact O-OG 3.41Å; H382-T386 VanDerWaalsContact CE1-CB 3.5Å; H382-T386 WeakPolarHBondContact CE1-CB 3.43Å; H382-T386 PolarHBondContact CE1-OG1 3.28Å; H382-T386 PolarHBondContact ND1-OG1 3.24Å; H382-T386 WeakPolarHBondContact O-CB 3.41Å; H382-T386 PolarHBondContact O-N 3.35Å; H382-T386 PolarHBondContact O-OG1 3.35Å; H382-H387 AromaticContact CE1-CD2 3.78Å; H382-H387 AromaticContact CE1-NE2 3.54Å; H382-H387 AromaticContact NE2-CD2 3.6Å; H382-H387 AromaticContact NE2-NE2 3.39Å; H382-H387 PolarHBondContact NE2-NE2 3.02Å
383	L	84.1	Confident	81.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-42.4	173	-72.3	169.6	0	0	0	110.9	I222 Y226 F227 L379 A380 H387	I222-L383 HydrophobicContact CG2-CD1 3.58Å; Y226-L383 HydrophobicContact CD1-CB 4.19Å; Y226-L383 HydrophobicContact CD2-CB 4.17Å; Y226-L383 HydrophobicContact CD2-CD1 4.17Å; Y226-L383 HydrophobicContact CE1-CB 4.06Å; Y226-L383 WeakPolarHBondContact CE1-O 3.27Å; Y226-L383 HydrophobicContact CE2-CB 4.03Å; Y226-L383 HydrophobicContact CG-CB 4.24Å; Y226-L383 HydrophobicContact CG-CD1 4.5Å; Y226-L383 HydrophobicContact CG-CD2 4.37Å; F227-L383 HydrophobicContact CE1-CD2 4.32Å; F227-L383 HydrophobicContact CZ-CD2 4.26Å; L379-L383 HydrophobicContact CD1-CD1 4.34Å; L379-L383 HydrophobicContact CD1-CG 4.21Å; L379-L383 HydrophobicContact CG-CD1 4.13Å; L379-L383 HydrophobicContact CG-CG 4.45Å; L379-L383 WeakPolarHBondContact O-CG 3.3Å; L379-L383 PolarHBondContact O-N 3.42Å; A380-L383 PolarHBondContact O-N 2.99Å; L383-H387 HydrophobicContact CD2-CB 4.5Å; L383-H387 CarbonylContact O-C 3.6Å; L383-H387 WeakPolarHBondContact O-CB 3.41Å; L383-H387 PolarHBondContact O-N 2.71Å; L383-H387 VanDerWaalsContact O-N 3.12Å
384	Q	82.4	Confident	82	Confident	100 Å²	100	55.8 Å²	55.8	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-33.5	178.6	-175.2	173.5	6.7	0	0	113.9	Y226 A380 H381 H382	Y226-Q384 WeakPolarHBondContact OH-CA 3.34Å; A380-Q384 WeakPolarHBondContact O-CB 3.36Å; A380-Q384 PolarHBondContact O-N 3.18Å; H381-Q384 PolarHBondContact O-N 2.86Å; H382-Q384 VanDerWaalsContact C-N 3.3Å; H382-Q384 PolarHBondContact O-N 3.36Å
385	S	81.1	Confident	82.3	Confident	82 Å²	82	51.6 Å²	51.6	57%	0.573	25%	0.252	S	S	*	.	H	α-helix	trans	-89.9	-30.5	-177.7	70	0	0	0	0	114.1	H381 H382	H381-S385 WeakPolarHBondContact O-CB 3.46Å; H381-S385 PolarHBondContact O-N 2.83Å; H381-S385 PolarHBondContact O-OG 2.94Å; H382-S385 PolarHBondContact O-N 3.18Å; H382-S385 PolarHBondContact O-OG 3.41Å
386	T	81.3	Confident	82.6	Confident	39 Å²	39	49.5 Å²	49.5	24%	0.239	24%	0.237	C	C	.	.	H	α-helix	trans	-109.1	-28.8	-169.8	-47.5	0	0	0	0	113.5	H382 T485	H382-T386 VanDerWaalsContact CE1-CB 3.5Å; H382-T386 WeakPolarHBondContact CE1-CB 3.43Å; H382-T386 PolarHBondContact CE1-OG1 3.28Å; H382-T386 PolarHBondContact ND1-OG1 3.24Å; H382-T386 WeakPolarHBondContact O-CB 3.41Å; H382-T386 PolarHBondContact O-N 3.35Å; H382-T386 PolarHBondContact O-OG1 3.35Å; T386-T485 HydrophobicContact CG2-CG2 4.38Å
387	H	83	Confident	82.9	Confident	9 Å²	9	49 Å²	49	4%	0.042	23%	0.232	C	C	.	.			trans	-118.4	149.7	-170.6	-67	-66.2	0	0	0	112.5	Y226 C366 I368 C369 H382 L383 E391 T485	Y226-H387 HydrophobicContact CD1-CB 4.49Å; C366-H387 PolarHBondContact SG-NE2 3.22Å; I368-H387 HydrophobicContact CD1-CB 4.13Å; I368-H387 WeakPolarHBondContact CG2-CE1 3.29Å; C369-H387 PolarHBondContact SG-NE2 3.22Å; C369-H387 VanDerWaalsContact SG-NE2 3.39Å; H382-H387 AromaticContact CE1-CD2 3.78Å; H382-H387 AromaticContact CE1-NE2 3.54Å; H382-H387 AromaticContact NE2-CD2 3.6Å; H382-H387 AromaticContact NE2-NE2 3.39Å; H382-H387 PolarHBondContact NE2-NE2 3.02Å; L383-H387 HydrophobicContact CD2-CB 4.5Å; L383-H387 CarbonylContact O-C 3.6Å; L383-H387 WeakPolarHBondContact O-CB 3.41Å; L383-H387 PolarHBondContact O-N 2.71Å; L383-H387 VanDerWaalsContact O-N 3.12Å; H387-E391 WeakPolarHBondContact CA-OE2 3.39Å; H387-E391 IonicContact ND1-OE2 2.74Å; H387-E391 PolarHBondContact ND1-OE2 3.36Å; H387-T485 PolarHBondContact CE1-O 2.81Å
388	R	79.8	Confident	83	Confident	155 Å²	155	45.3 Å²	45.3	59%	0.585	21%	0.213	S	C	*	.			trans	-98.1	159.7	175.3	-66.2	178.1	174	150.8	-4.3	111.4	R390 E391 H504 A506	R388-R390 PolarHBondContact O-N 3.36Å; R388-E391 HydrophobicContact CB-CB 4.41Å; R388-E391 PolarHBondContact N-OE2 3.04Å; R388-E391 WeakPolarHBondContact O-CB 3.4Å; R388-E391 PolarHBondContact O-N 3.23Å; R388-H504 PolarHBondContact NH1-O 3.29Å; R388-A506 HydrophobicContact CB-CB 3.88Å
389	Q	76	Confident	83.1	Confident	52 Å²	52	41.4 Å²	41.4	24%	0.243	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	126.8	175.8	-168.6	-165.2	-20.2	0	0	110.1	Y225 E391	Y225-Q389 HydrophobicContact CD1-CG 3.99Å; Y225-Q389 HydrophobicContact CD2-CG 4.15Å; Y225-Q389 HydrophobicContact CE1-CB 3.96Å; Y225-Q389 HydrophobicContact CE1-CG 3.71Å; Y225-Q389 HydrophobicContact CE2-CG 3.87Å; Y225-Q389 HydrophobicContact CG-CG 4.2Å; Y225-Q389 WeakPolarHBondContact O-CG 3.4Å; Y225-Q389 PolarHBondContact OH-OE1 2.95Å; Q389-E391 VanDerWaalsContact C-N 3.3Å; Q389-E391 PolarHBondContact O-N 3.4Å
390	R	73.2	Confident	83.1	Confident	83 Å²	83	45.1 Å²	45.1	31%	0.313	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	47.4	-179.9	-65.4	175.6	175.1	177.7	-9.3	113.6	Y225 Y226 R388 D509	Y225-R390 PolarHBondContact O-N 3.48Å; Y226-R390 WeakPolarHBondContact O-CA 3.31Å; Y226-R390 PolarHBondContact O-N 2.96Å; R388-R390 PolarHBondContact O-N 3.36Å; R390-D509 IonicContact NH1-OD1 3.47Å; R390-D509 PolarHBondContact NH1-OD1 3.29Å
391	E	79.7	Confident	83.4	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.023	21%	0.212	C	C	.	.			trans	-80.5	127.4	174	-177.2	168.2	-144	0	0	110.5	H387 R388 Q389 S404 H504	H387-E391 WeakPolarHBondContact CA-OE2 3.39Å; H387-E391 IonicContact ND1-OE2 2.74Å; H387-E391 PolarHBondContact ND1-OE2 3.36Å; R388-E391 HydrophobicContact CB-CB 4.41Å; R388-E391 PolarHBondContact N-OE2 3.04Å; R388-E391 WeakPolarHBondContact O-CB 3.4Å; R388-E391 PolarHBondContact O-N 3.23Å; Q389-E391 VanDerWaalsContact C-N 3.3Å; Q389-E391 PolarHBondContact O-N 3.4Å; E391-S404 WeakPolarHBondContact O-CB 3.25Å; E391-H504 WeakPolarHBondContact OE1-CA 3.28Å; E391-H504 WeakPolarHBondContact OE1-CB 3.44Å; E391-H504 IonicContact OE1-CE1 3.41Å; E391-H504 IonicContact OE1-CG 3.06Å; E391-H504 IonicContact OE1-ND1 2.85Å; E391-H504 PolarHBondContact OE1-ND1 2.86Å
392	M	82.9	Confident	83.5	Confident	12 Å²	12	42.1 Å²	42.1	6%	0.059	20%	0.196	C	C	.	.			trans	-132.1	75.5	-169.9	-67	165.3	52.1	0	0	109.9	G228 R229 Q230 Y394 R402 S403	G228-M392 VanDerWaalsContact C-SD 3.58Å; G228-M392 WeakPolarHBondContact O-CG 3.49Å; R229-M392 VanDerWaalsContact C-CE 3.49Å; Q230-M392 HydrophobicContact CB-CE 3.51Å; Q230-M392 VanDerWaalsContact N-CE 3.28Å; M392-Y394 VanDerWaalsContact C-N 3.32Å; M392-Y394 PolarHBondContact O-N 3.34Å; M392-R402 HydrophobicContact CB-CB 4.37Å; M392-R402 HydrophobicContact CE-CB 3.55Å; M392-R402 WeakPolarHBondContact CE-O 3.45Å; M392-R402 PolarHBondContact O-NH1 2.83Å; M392-S403 CarbonylContact C-O 3.43Å; M392-S403 WeakPolarHBondContact CA-O 3.39Å
393	P	84.7	Confident	83.6	Confident	1 Å²	1	41 Å²	41	1%	0.006	19%	0.191	C	C	.	.			trans	-81.1	-10.9	-170	33.7	-34.7	0	0	0	113.4	I368 C486	I368-P393 HydrophobicContact CG2-CG 3.92Å; P393-C486 HydrophobicContact CB-CB 4.19Å; P393-C486 HydrophobicContact CG-CB 4.02Å
394	Y	90	Very high	83.7	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.3	179.7	-55.3	-63.7	0	0	0	110.1	I368 M392 R402 S403 M405 Y406 I409 L429 C486 R487 L488	I368-Y394 PolarHBondContact O-OH 3.21Å; M392-Y394 VanDerWaalsContact C-N 3.32Å; M392-Y394 PolarHBondContact O-N 3.34Å; Y394-R402 VanDerWaalsContact O-CA 3.26Å; Y394-R402 WeakPolarHBondContact O-CA 3.35Å; Y394-S403 WeakPolarHBondContact CB-O 3.32Å; Y394-S403 PolarHBondContact N-O 3.5Å; Y394-S403 PolarHBondContact O-N 3.29Å; Y394-M405 WeakPolarHBondContact CD2-O 2.94Å; Y394-Y406 AromaticContact CD1-CD2 3.95Å; Y394-Y406 HydrophobicContact CD1-CD2 3.95Å; Y394-Y406 AromaticContact CE1-CD2 3.64Å; Y394-Y406 HydrophobicContact CE1-CD2 3.64Å; Y394-Y406 HydrophobicContact CE1-CG 4.29Å; Y394-I409 HydrophobicContact CG-CG2 4.29Å; Y394-L429 HydrophobicContact CD1-CD1 3.82Å; Y394-L429 HydrophobicContact CG-CD1 4.49Å; Y394-C486 HydrophobicContact CE1-CB 4.3Å; Y394-R487 WeakPolarHBondContact OH-CB 3.4Å; Y394-R487 WeakPolarHBondContact OH-CG 3.26Å; Y394-R487 PolarHBondContact OH-N 2.81Å; Y394-L488 HydrophobicContact CD1-CD1 4.38Å; Y394-L488 HydrophobicContact CD1-CD2 4.12Å; Y394-L488 HydrophobicContact CD1-CG 4.26Å; Y394-L488 HydrophobicContact CE1-CD1 4.46Å; Y394-L488 HydrophobicContact CE1-CD2 3.89Å; Y394-L488 HydrophobicContact CE1-CG 3.91Å
395	V	87.1	Confident	83.9	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.3	-167.9	-170.5	0	0	0	0	109.9	R397 F401 R402 D503	V395-R397 PolarHBondContact O-N 2.86Å; V395-F401 CarbonylContact C-O 3.5Å; V395-F401 WeakPolarHBondContact CA-O 3.36Å; V395-R402 HydrophobicContact CB-CG 4.31Å; V395-R402 HydrophobicContact CG1-CG 3.95Å; V395-R402 HydrophobicContact CG2-CG 4.02Å; V395-R402 VanDerWaalsContact CG2-CZ 3.4Å; V395-D503 HydrophobicContact CG2-CB 4.44Å
396	C	88.1	Confident	84.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	15%	0.153	C	C	.	.			trans	-74.1	121.7	165.4	-169.4	0	0	0	0	108.4	L398 L400 F401 I409 H417	C396-L398 VanDerWaalsContact C-N 3.26Å; C396-L398 PolarHBondContact O-N 2.76Å; C396-L400 WeakPolarHBondContact O-CA 3.18Å; C396-L400 PolarHBondContact O-N 3.47Å; C396-F401 HydrophobicContact CB-CB 3.9Å; C396-F401 PolarHBondContact N-O 3.23Å; C396-I409 HydrophobicContact CB-CD1 3.56Å; C396-H417 PolarHBondContact SG-NE2 3.26Å; C396-H417 VanDerWaalsContact SG-NE2 3.35Å
397	R	84.7	Confident	84.5	Confident	122 Å²	122	38.2 Å²	38.2	46%	0.46	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.2	179.1	-54.1	-67.6	-179.7	-175.5	-7.7	113.5	V395 I431 D503	V395-R397 PolarHBondContact O-N 2.86Å; R397-I431 HydrophobicContact CB-CD1 3.67Å; R397-I431 HydrophobicContact CG-CD1 4.21Å; R397-D503 IonicContact CZ-OD2 3.31Å; R397-D503 IonicContact NH1-OD1 3.92Å; R397-D503 IonicContact NH2-OD1 3.47Å; R397-D503 IonicContact NH2-OD2 3.84Å; R397-D503 PolarHBondContact NH2-OD2 3.18Å
398	L	84.8	Confident	84.7	Confident	23 Å²	23	39.4 Å²	39.4	12%	0.12	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-74.1	177.8	-64.5	162.2	0	0	0	110.1	Y236 E238 C396 F413 H417 H422 I431	Y236-L398 HydrophobicContact CE1-CB 3.66Å; Y236-L398 VanDerWaalsContact OH-CD2 3.26Å; Y236-L398 WeakPolarHBondContact OH-CD2 3.42Å; E238-L398 WeakPolarHBondContact OE1-CD1 3.36Å; C396-L398 VanDerWaalsContact C-N 3.26Å; C396-L398 PolarHBondContact O-N 2.76Å; L398-F413 HydrophobicContact CD1-CD2 4.34Å; L398-F413 HydrophobicContact CD1-CE2 3.73Å; L398-H417 HydrophobicContact CD1-CB 4.39Å; L398-H422 HydrophobicContact CD1-CB 3.91Å; L398-I431 HydrophobicContact CD1-CD1 4.22Å; L398-I431 HydrophobicContact CD1-CG1 4.09Å; L398-I431 HydrophobicContact CD1-CG2 4.31Å; L398-I431 HydrophobicContact CD2-CG2 4.21Å; L398-I431 HydrophobicContact CG-CD1 3.98Å; L398-I431 HydrophobicContact CG-CG1 4.24Å; L398-I431 HydrophobicContact CG-CG2 4.43Å
399	C	85.8	Confident	85.2	Confident	10 Å²	10	32 Å²	32	7%	0.068	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.8	179.4	70.7	0	0	0	0	115.2	G232 N233 Y236 F401 H412 H417	G232-C399 CarbonylContact C-O 3.47Å; G232-C399 VanDerWaalsContact CA-O 3.26Å; G232-C399 WeakPolarHBondContact CA-O 3.44Å; N233-C399 PolarHBondContact N-O 3.45Å; Y236-C399 HydrophobicContact CD1-CB 3.62Å; Y236-C399 HydrophobicContact CE1-CB 4.36Å; Y236-C399 HydrophobicContact CG-CB 4.09Å; C399-F401 PolarHBondContact O-N 3.49Å; C399-F401 VanDerWaalsContact SG-CB 3.57Å; C399-H412 PolarHBondContact SG-CE1 3.4Å; C399-H412 PolarHBondContact SG-NE2 3.37Å; C399-H417 PolarHBondContact SG-NE2 2.78Å; C399-H417 VanDerWaalsContact SG-NE2 3.41Å
400	L	85.7	Confident	85.8	Confident	104 Å²	104	31.2 Å²	31.2	55%	0.545	14%	0.141	S	C	.	.			trans	63.6	16.3	-176.4	-55.3	177.7	0	0	0	116.3	C396	C396-L400 WeakPolarHBondContact O-CA 3.18Å; C396-L400 PolarHBondContact O-N 3.47Å
401	F	87.1	Confident	86.5	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	14%	0.144	C	C	.	.			trans	-52.5	137.4	168.1	175.8	-107	0	0	0	111.6	R229 Q230 V395 C396 C399 D408 I409 H412	R229-F401 HydrophobicContact CG-CE2 3.69Å; R229-F401 HydrophobicContact CG-CZ 3.86Å; Q230-F401 WeakPolarHBondContact O-CD2 3.38Å; V395-F401 CarbonylContact C-O 3.5Å; V395-F401 WeakPolarHBondContact CA-O 3.36Å; C396-F401 HydrophobicContact CB-CB 3.9Å; C396-F401 PolarHBondContact N-O 3.23Å; C399-F401 PolarHBondContact O-N 3.49Å; C399-F401 VanDerWaalsContact SG-CB 3.57Å; F401-D408 HydrophobicContact CE1-CB 4.33Å; F401-D408 HydrophobicContact CZ-CB 4.44Å; F401-I409 HydrophobicContact CD1-CD1 4.01Å; F401-H412 VanDerWaalsContact CB-CE1 3.47Å; F401-H412 WeakPolarHBondContact CB-CE1 3.48Å; F401-H412 HydrophobicContact CD1-CB 3.71Å; F401-H412 AromaticContact CD1-CD2 3.62Å; F401-H412 AromaticContact CD1-CG 3.35Å; F401-H412 AromaticContact CD1-ND1 3.71Å; F401-H412 HydrophobicContact CE1-CB 3.68Å; F401-H412 AromaticContact CE1-CG 3.85Å; F401-H412 HydrophobicContact CG-CB 4.45Å; F401-H412 AromaticContact CG-CD2 3.97Å; F401-H412 AromaticContact CG-CE1 3.75Å; F401-H412 AromaticContact CG-CG 3.73Å; F401-H412 AromaticContact CG-ND1 3.58Å; F401-H412 AromaticContact CG-NE2 3.97Å; F401-H412 HydrophobicContact CZ-CB 4.42Å
402	R	87.6	Confident	87	Confident	56 Å²	56	31.2 Å²	31.2	21%	0.211	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.3	176.8	-65.7	-173.8	160.2	-115.7	-4.4	112.5	R229 Q230 M392 Y394 V395 D503	R229-R402 WeakPolarHBondContact CA-O 3.32Å; Q230-R402 HydrophobicContact CB-CB 4.27Å; Q230-R402 PolarHBondContact N-O 3.47Å; Q230-R402 PolarHBondContact O-N 3.23Å; M392-R402 HydrophobicContact CB-CB 4.37Å; M392-R402 HydrophobicContact CE-CB 3.55Å; M392-R402 WeakPolarHBondContact CE-O 3.45Å; M392-R402 PolarHBondContact O-NH1 2.83Å; Y394-R402 VanDerWaalsContact O-CA 3.26Å; Y394-R402 WeakPolarHBondContact O-CA 3.35Å; V395-R402 HydrophobicContact CB-CG 4.31Å; V395-R402 HydrophobicContact CG1-CG 3.95Å; V395-R402 HydrophobicContact CG2-CG 4.02Å; V395-R402 VanDerWaalsContact CG2-CZ 3.4Å; R402-D503 IonicContact CZ-OD1 2.74Å; R402-D503 IonicContact NH1-OD1 3.8Å; R402-D503 IonicContact NH2-OD1 2.93Å; R402-D503 PolarHBondContact NH2-OD1 3.23Å
403	S	87.4	Confident	87.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.9	169.9	-173.4	0	0	0	0	112.5	G228 M392 Y394 M405 D408	G228-S403 CarbonylContact O-C 3.55Å; G228-S403 WeakPolarHBondContact O-CA 3.36Å; M392-S403 CarbonylContact C-O 3.43Å; M392-S403 WeakPolarHBondContact CA-O 3.39Å; Y394-S403 WeakPolarHBondContact CB-O 3.32Å; Y394-S403 PolarHBondContact N-O 3.5Å; Y394-S403 PolarHBondContact O-N 3.29Å; S403-M405 VanDerWaalsContact C-N 3.25Å; S403-M405 WeakPolarHBondContact OG-CB 3.41Å; S403-M405 PolarHBondContact OG-N 2.85Å; S403-D408 WeakPolarHBondContact CB-OD2 3.05Å; S403-D408 PolarHBondContact OG-OD2 2.94Å
404	S	84.6	Confident	87.4	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.014	17%	0.171	C	C	.	.	S	Bend	trans	-75.8	-13.3	163.6	60.5	0	0	0	0	113	F227 G228 I368 E391	F227-S404 VanDerWaalsContact CA-OG 3.32Å; F227-S404 WeakPolarHBondContact CA-OG 3.49Å; F227-S404 VanDerWaalsContact CB-OG 3.29Å; F227-S404 WeakPolarHBondContact CB-OG 3.29Å; G228-S404 PolarHBondContact N-OG 2.83Å; G228-S404 PolarHBondContact O-N 3.28Å; G228-S404 PolarHBondContact O-OG 3.14Å; I368-S404 WeakPolarHBondContact CA-O 3.44Å; I368-S404 WeakPolarHBondContact CG1-O 3.34Å; E391-S404 WeakPolarHBondContact O-CB 3.25Å
405	M	86.4	Confident	87.3	Confident	20 Å²	20	43.6 Å²	43.6	10%	0.099	20%	0.2	C	C	.	.			trans	-101.3	135	-176.8	-56	-67.5	-59.6	0	0	111.1	R367 Y394 S403 D408	R367-M405 HydrophobicContact CB-CE 3.73Å; R367-M405 HydrophobicContact CB-SD 3.5Å; R367-M405 VanDerWaalsContact CB-SD 3.5Å; R367-M405 HydrophobicContact CG-CE 3.99Å; R367-M405 HydrophobicContact CG-SD 4.2Å; Y394-M405 WeakPolarHBondContact CD2-O 2.94Å; S403-M405 VanDerWaalsContact C-N 3.25Å; S403-M405 WeakPolarHBondContact OG-CB 3.41Å; S403-M405 PolarHBondContact OG-N 2.85Å; M405-D408 HydrophobicContact CB-CB 3.89Å; M405-D408 VanDerWaalsContact CB-CG 3.49Å
406	Y	87.6	Confident	87.2	Confident	39 Å²	39	48.8 Å²	48.8	15%	0.153	23%	0.226	C	C	.	.	H	α-helix	trans	-74.1	-32.6	173.8	178.2	-105.4	0	0	0	112.7	Y394 I409 L410 T426 L429 L488	Y394-Y406 AromaticContact CD1-CD2 3.95Å; Y394-Y406 HydrophobicContact CD1-CD2 3.95Å; Y394-Y406 AromaticContact CE1-CD2 3.64Å; Y394-Y406 HydrophobicContact CE1-CD2 3.64Å; Y394-Y406 HydrophobicContact CE1-CG 4.29Å; Y406-I409 HydrophobicContact CD2-CG2 4.42Å; Y406-I409 WeakPolarHBondContact O-CG2 3.39Å; Y406-L410 HydrophobicContact CD1-CD1 4.26Å; Y406-L410 HydrophobicContact CE1-CD1 3.58Å; Y406-L410 HydrophobicContact CE1-CG 4.33Å; Y406-T426 PolarHBondContact OH-O 3.2Å; Y406-L429 HydrophobicContact CE2-CD2 4.45Å; Y406-L488 HydrophobicContact CD2-CD2 4.45Å; Y406-L488 HydrophobicContact CE2-CD2 4.22Å
407	E	87.8	Confident	87	Confident	102 Å²	102	48.9 Å²	48.9	48%	0.477	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-42.8	178.2	-72.1	136.5	-136.8	0	0	111.3	I409 L410 D411 R487	E407-I409 VanDerWaalsContact C-N 3.28Å; E407-I409 PolarHBondContact O-N 3.34Å; E407-L410 PolarHBondContact O-N 2.85Å; E407-D411 PolarHBondContact O-N 2.9Å; E407-R487 IonicContact OE1-NH1 3.65Å; E407-R487 IonicContact OE1-NH2 3.96Å
408	D	88.8	Confident	87	Confident	34 Å²	34	45.2 Å²	45.2	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-54.1	-39.2	178.6	-75.4	6.8	0	0	0	113.7	F401 S403 M405 H412	F401-D408 HydrophobicContact CE1-CB 4.33Å; F401-D408 HydrophobicContact CZ-CB 4.44Å; S403-D408 WeakPolarHBondContact CB-OD2 3.05Å; S403-D408 PolarHBondContact OG-OD2 2.94Å; M405-D408 HydrophobicContact CB-CB 3.89Å; M405-D408 VanDerWaalsContact CB-CG 3.49Å; D408-H412 WeakPolarHBondContact O-CB 3.45Å; D408-H412 PolarHBondContact O-N 2.78Å
409	I	88.7	Confident	86.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-74	-35.7	-176.9	-179.5	60.7	0	0	0	111.7	Y394 C396 F401 Y406 E407 F413 L429	Y394-I409 HydrophobicContact CG-CG2 4.29Å; C396-I409 HydrophobicContact CB-CD1 3.56Å; F401-I409 HydrophobicContact CD1-CD1 4.01Å; Y406-I409 HydrophobicContact CD2-CG2 4.42Å; Y406-I409 WeakPolarHBondContact O-CG2 3.39Å; E407-I409 VanDerWaalsContact C-N 3.28Å; E407-I409 PolarHBondContact O-N 3.34Å; I409-F413 WeakPolarHBondContact O-CB 3.44Å; I409-F413 PolarHBondContact O-N 3.01Å; I409-L429 HydrophobicContact CG1-CD1 4.12Å; I409-L429 HydrophobicContact CG1-CD2 4.14Å; I409-L429 HydrophobicContact CG2-CD1 4.11Å; I409-L429 HydrophobicContact CG2-CD2 4.18Å
410	L	88.2	Confident	86.4	Confident	35 Å²	35	44.9 Å²	44.9	18%	0.183	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-43.7	174.5	-63.8	-178.2	0	0	0	110.9	Y406 E407 F413 K414 L424 T426	Y406-L410 HydrophobicContact CD1-CD1 4.26Å; Y406-L410 HydrophobicContact CE1-CD1 3.58Å; Y406-L410 HydrophobicContact CE1-CG 4.33Å; E407-L410 PolarHBondContact O-N 2.85Å; L410-F413 PolarHBondContact O-N 3.35Å; L410-K414 WeakPolarHBondContact O-CB 3.48Å; L410-K414 VanDerWaalsContact O-CG 3.29Å; L410-K414 WeakPolarHBondContact O-CG 3.34Å; L410-K414 PolarHBondContact O-N 3.45Å; L410-L424 HydrophobicContact CD2-CD2 4.18Å; L410-T426 HydrophobicContact CD2-CG2 4.08Å
411	D	89.6	Confident	86.3	Confident	71 Å²	71	41.7 Å²	41.7	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-41.9	176	-104	36.2	0	0	0	112.2	E407 K414 K415	E407-D411 PolarHBondContact O-N 2.9Å; D411-K414 PolarHBondContact O-N 3.02Å; D411-K415 VanDerWaalsContact O-CB 3.32Å; D411-K415 WeakPolarHBondContact O-CB 3.45Å; D411-K415 WeakPolarHBondContact O-CD 3.41Å; D411-K415 VanDerWaalsContact O-CG 3.25Å; D411-K415 WeakPolarHBondContact O-CG 3.49Å; D411-K415 PolarHBondContact O-N 3.34Å; D411-K415 IonicContact OD2-NZ 2.62Å; D411-K415 PolarHBondContact OD2-NZ 2.87Å
412	H	89	Confident	86.3	Confident	17 Å²	17	42.3 Å²	42.3	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-47.7	172.9	164.4	79.7	0	0	0	111.2	C399 F401 D408 K415 M416 H417	C399-H412 PolarHBondContact SG-CE1 3.4Å; C399-H412 PolarHBondContact SG-NE2 3.37Å; F401-H412 VanDerWaalsContact CB-CE1 3.47Å; F401-H412 WeakPolarHBondContact CB-CE1 3.48Å; F401-H412 HydrophobicContact CD1-CB 3.71Å; F401-H412 AromaticContact CD1-CD2 3.62Å; F401-H412 AromaticContact CD1-CG 3.35Å; F401-H412 AromaticContact CD1-ND1 3.71Å; F401-H412 HydrophobicContact CE1-CB 3.68Å; F401-H412 AromaticContact CE1-CG 3.85Å; F401-H412 HydrophobicContact CG-CB 4.45Å; F401-H412 AromaticContact CG-CD2 3.97Å; F401-H412 AromaticContact CG-CE1 3.75Å; F401-H412 AromaticContact CG-CG 3.73Å; F401-H412 AromaticContact CG-ND1 3.58Å; F401-H412 AromaticContact CG-NE2 3.97Å; F401-H412 HydrophobicContact CZ-CB 4.42Å; D408-H412 WeakPolarHBondContact O-CB 3.45Å; D408-H412 PolarHBondContact O-N 2.78Å; H412-K415 PolarHBondContact O-N 3.24Å; H412-M416 WeakPolarHBondContact ND1-CG 3.49Å; H412-M416 WeakPolarHBondContact O-CB 3.46Å; H412-M416 PolarHBondContact O-N 2.81Å; H412-H417 AromaticContact CD2-CD2 3.98Å; H412-H417 AromaticContact CE1-NE2 3.82Å; H412-H417 AromaticContact NE2-CD2 3.42Å; H412-H417 PolarHBondContact NE2-CD2 2.77Å; H412-H417 AromaticContact NE2-NE2 3.18Å; H412-H417 PolarHBondContact NE2-NE2 2.74Å; H412-H417 VanDerWaalsContact NE2-NE2 3.18Å
413	F	89.2	Confident	86.3	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-46.5	177.6	-170.2	-93	0	0	0	111.6	M261 L398 I409 L410 K415 H417 D418 H422 L424 I431	M261-F413 HydrophobicContact CE-CE1 4.42Å; M261-F413 HydrophobicContact SD-CD1 4.36Å; M261-F413 HydrophobicContact SD-CE1 3.67Å; M261-F413 HydrophobicContact SD-CZ 4.46Å; L398-F413 HydrophobicContact CD1-CD2 4.34Å; L398-F413 HydrophobicContact CD1-CE2 3.73Å; I409-F413 WeakPolarHBondContact O-CB 3.44Å; I409-F413 PolarHBondContact O-N 3.01Å; L410-F413 PolarHBondContact O-N 3.35Å; F413-K415 PolarHBondContact O-N 3.45Å; F413-H417 HydrophobicContact CD2-CB 3.76Å; F413-H417 HydrophobicContact CE2-CB 3.82Å; F413-H417 HydrophobicContact CG-CB 4.21Å; F413-H417 HydrophobicContact CZ-CB 4.31Å; F413-H417 CarbonylContact O-C 3.55Å; F413-H417 WeakPolarHBondContact O-CA 3.44Å; F413-H417 WeakPolarHBondContact O-CB 2.95Å; F413-H417 PolarHBondContact O-N 3.24Å; F413-D418 PolarHBondContact O-N 3.44Å; F413-H422 HydrophobicContact CE2-CB 4.39Å; F413-H422 HydrophobicContact CZ-CB 4.21Å; F413-H422 WeakPolarHBondContact CZ-O 3.23Å; F413-L424 HydrophobicContact CB-CD2 3.84Å; F413-L424 HydrophobicContact CD1-CB 3.95Å; F413-L424 HydrophobicContact CD1-CD2 4.16Å; F413-L424 HydrophobicContact CD2-CB 3.96Å; F413-L424 HydrophobicContact CD2-CD2 3.94Å; F413-L424 HydrophobicContact CD2-CG 4.42Å; F413-L424 HydrophobicContact CE1-CB 3.76Å; F413-L424 HydrophobicContact CE2-CB 3.76Å; F413-L424 HydrophobicContact CG-CB 4.05Å; F413-L424 HydrophobicContact CG-CD2 3.7Å; F413-L424 HydrophobicContact CG-CG 4.48Å; F413-L424 HydrophobicContact CZ-CB 3.65Å; F413-I431 HydrophobicContact CE2-CG1 4.45Å
414	K	88.2	Confident	86.4	Confident	127 Å²	127	39.8 Å²	39.8	55%	0.552	19%	0.192	S	C	*	.	H	α-helix	trans	-64.1	-18.5	176.5	-71.6	173.1	-179.3	179.7	0	115.1	T258 L410 D411 D418	T258-K414 HydrophobicContact CG2-CB 4.46Å; T258-K414 HydrophobicContact CG2-CG 4.19Å; L410-K414 WeakPolarHBondContact O-CB 3.48Å; L410-K414 VanDerWaalsContact O-CG 3.29Å; L410-K414 WeakPolarHBondContact O-CG 3.34Å; L410-K414 PolarHBondContact O-N 3.45Å; D411-K414 PolarHBondContact O-N 3.02Å; K414-D418 WeakPolarHBondContact O-CB 3.38Å
415	K	86.9	Confident	86.7	Confident	143 Å²	143	39.7 Å²	39.7	62%	0.622	19%	0.191	S	C	*	.	H	α-helix	trans	-105.5	-45.1	-177.5	-72	165.7	178.8	160.6	0	112.5	D411 H412 F413	D411-K415 VanDerWaalsContact O-CB 3.32Å; D411-K415 WeakPolarHBondContact O-CB 3.45Å; D411-K415 WeakPolarHBondContact O-CD 3.41Å; D411-K415 VanDerWaalsContact O-CG 3.25Å; D411-K415 WeakPolarHBondContact O-CG 3.49Å; D411-K415 PolarHBondContact O-N 3.34Å; D411-K415 IonicContact OD2-NZ 2.62Å; D411-K415 PolarHBondContact OD2-NZ 2.87Å; H412-K415 PolarHBondContact O-N 3.24Å; F413-K415 PolarHBondContact O-N 3.45Å
416	M	84.5	Confident	86.8	Confident	113 Å²	113	39.7 Å²	39.7	56%	0.557	19%	0.192	S	C	*	.	H	α-helix	trans	-88.1	-37.2	-176.5	-60.6	-59	-69.8	0	0	112.4	K240 H412	K240-M416 PolarHBondContact NZ-O 3.13Å; H412-M416 WeakPolarHBondContact ND1-CG 3.49Å; H412-M416 WeakPolarHBondContact O-CB 3.46Å; H412-M416 PolarHBondContact O-N 2.81Å
417	H	85.4	Confident	86.8	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.019	20%	0.195	C	C	.	.	S	Bend	trans	-108.5	12	-172.5	-59.4	-67.7	0	0	0	113.1	Y236 E238 N257 C396 L398 C399 H412 F413 S420	Y236-H417 AromaticContact CE1-CE1 3.77Å; E238-H417 IonicContact OE1-CE1 2.67Å; E238-H417 PolarHBondContact OE1-CE1 2.95Å; E238-H417 IonicContact OE1-CG 3.44Å; E238-H417 IonicContact OE1-ND1 3.81Å; E238-H417 PolarHBondContact OE1-ND1 2.81Å; E238-H417 IonicContact OE2-CE1 3.52Å; E238-H417 IonicContact OE2-CG 3.69Å; E238-H417 IonicContact OE2-ND1 3.81Å; E238-H417 PolarHBondContact OE2-ND1 2.79Å; N257-H417 PolarHBondContact ND2-O 3.3Å; C396-H417 PolarHBondContact SG-NE2 3.26Å; C396-H417 VanDerWaalsContact SG-NE2 3.35Å; L398-H417 HydrophobicContact CD1-CB 4.39Å; C399-H417 PolarHBondContact SG-NE2 2.78Å; C399-H417 VanDerWaalsContact SG-NE2 3.41Å; H412-H417 AromaticContact CD2-CD2 3.98Å; H412-H417 AromaticContact CE1-NE2 3.82Å; H412-H417 AromaticContact NE2-CD2 3.42Å; H412-H417 PolarHBondContact NE2-CD2 2.77Å; H412-H417 AromaticContact NE2-NE2 3.18Å; H412-H417 PolarHBondContact NE2-NE2 2.74Å; H412-H417 VanDerWaalsContact NE2-NE2 3.18Å; F413-H417 HydrophobicContact CD2-CB 3.76Å; F413-H417 HydrophobicContact CE2-CB 3.82Å; F413-H417 HydrophobicContact CG-CB 4.21Å; F413-H417 HydrophobicContact CZ-CB 4.31Å; F413-H417 CarbonylContact O-C 3.55Å; F413-H417 WeakPolarHBondContact O-CA 3.44Å; F413-H417 WeakPolarHBondContact O-CB 2.95Å; F413-H417 PolarHBondContact O-N 3.24Å; H417-S420 WeakPolarHBondContact O-CB 3.41Å; H417-S420 PolarHBondContact O-OG 3.28Å
418	D	83	Confident	86.8	Confident	45 Å²	45	36.3 Å²	36.3	24%	0.241	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	148	166.8	-172.4	53.5	0	0	0	110.6	S256 N257 T258 F413 K414 S420	S256-D418 PolarHBondContact OG-OD1 3.25Å; N257-D418 PolarHBondContact OD1-OD1 2.87Å; T258-D418 HydrophobicContact CG2-CB 4.34Å; T258-D418 WeakPolarHBondContact CG2-OD1 3.28Å; T258-D418 PolarHBondContact OG1-OD1 2.79Å; F413-D418 PolarHBondContact O-N 3.44Å; K414-D418 WeakPolarHBondContact O-CB 3.38Å; D418-S420 PolarHBondContact O-N 3.47Å
419	S	76	Confident	86.8	Confident	26 Å²	26	35.1 Å²	35.1	18%	0.182	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	26	-172.9	61.1	0	0	0	0	115.1	K240 G241 F243 N257 R607	K240-S419 WeakPolarHBondContact CA-O 3.3Å; G241-S419 PolarHBondContact N-O 2.83Å; F243-S419 WeakPolarHBondContact CD2-O 3.42Å; F243-S419 VanDerWaalsContact CE2-O 3.29Å; F243-S419 WeakPolarHBondContact CE2-O 3.34Å; N257-S419 PolarHBondContact OD1-N 3.02Å; S419-R607 PolarHBondContact OG-NH1 3.07Å
420	S	83.5	Confident	86.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-100.8	165.4	167.7	71.3	0	0	0	0	111.3	E238 F243 N257 H417 D418 H422	E238-S420 WeakPolarHBondContact OE2-CB 3.32Å; F243-S420 VanDerWaalsContact CD2-C 3.42Å; N257-S420 PolarHBondContact ND2-O 3.14Å; N257-S420 PolarHBondContact ND2-OG 3.49Å; H417-S420 WeakPolarHBondContact O-CB 3.41Å; H417-S420 PolarHBondContact O-OG 3.28Å; D418-S420 PolarHBondContact O-N 3.47Å; S420-H422 PolarHBondContact O-N 3.07Å; S420-H422 PolarHBondContact OG-N 2.91Å
421	N	83.1	Confident	86.6	Confident	36 Å²	36	40.7 Å²	40.7	19%	0.193	19%	0.192	C	C	.	.	S	Bend	trans	-81.7	22.6	171.3	69.9	-33.8	0	0	0	113.4	F243 P434 A437	F243-N421 HydrophobicContact CD1-CB 3.92Å; F243-N421 HydrophobicContact CD2-CB 4.37Å; F243-N421 HydrophobicContact CE1-CB 3.73Å; F243-N421 HydrophobicContact CE2-CB 4.21Å; F243-N421 HydrophobicContact CG-CB 4.23Å; F243-N421 HydrophobicContact CZ-CB 3.89Å; N421-P434 WeakPolarHBondContact O-CD 3.44Å; N421-A437 HydrophobicContact CB-CB 4.47Å
422	H	86.4	Confident	86.4	Confident	14 Å²	14	38.7 Å²	38.7	7%	0.065	18%	0.18	C	C	.	.			trans	-104.9	136	-178.8	-60.6	-56.4	0	0	0	111.9	E238 N257 L398 F413 S420 I431 T433	E238-H422 IonicContact OE1-CD2 3.76Å; E238-H422 PolarHBondContact OE1-CD2 3.04Å; E238-H422 IonicContact OE1-NE2 3.9Å; N257-H422 WeakPolarHBondContact CB-O 3.46Å; N257-H422 PolarHBondContact ND2-O 3.21Å; L398-H422 HydrophobicContact CD1-CB 3.91Å; F413-H422 HydrophobicContact CE2-CB 4.39Å; F413-H422 HydrophobicContact CZ-CB 4.21Å; F413-H422 WeakPolarHBondContact CZ-O 3.23Å; S420-H422 PolarHBondContact O-N 3.07Å; S420-H422 PolarHBondContact OG-N 2.91Å; H422-I431 HydrophobicContact CB-CG2 3.86Å; H422-T433 VanDerWaalsContact CE1-CG2 3.42Å; H422-T433 WeakPolarHBondContact CE1-CG2 3.06Å; H422-T433 WeakPolarHBondContact ND1-CG2 3.47Å
423	L	88.2	Confident	86.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.9	170.9	-58.3	172.9	0	0	0	109.1	N257 L260 M261 I431 F432 P434 Y467	N257-L423 HydrophobicContact CB-CD2 3.97Å; L260-L423 HydrophobicContact CD2-CD1 3.82Å; L260-L423 HydrophobicContact CD2-CD2 3.71Å; L260-L423 HydrophobicContact CD2-CG 4.43Å; M261-L423 HydrophobicContact CG-CB 4.39Å; M261-L423 HydrophobicContact CG-CD2 3.8Å; M261-L423 HydrophobicContact SD-CD2 4.49Å; L423-I431 CarbonylContact O-C 3.58Å; L423-I431 VanDerWaalsContact O-CA 3.32Å; L423-I431 WeakPolarHBondContact O-CA 3.18Å; L423-F432 HydrophobicContact CB-CB 4.37Å; L423-F432 PolarHBondContact N-O 3.06Å; L423-F432 PolarHBondContact O-N 2.76Å; L423-P434 HydrophobicContact CD1-CG 4.01Å; L423-P434 HydrophobicContact CG-CG 4.3Å; L423-Y467 HydrophobicContact CB-CD2 4.08Å; L423-Y467 HydrophobicContact CB-CE2 4.03Å; L423-Y467 HydrophobicContact CB-CG 4.37Å; L423-Y467 HydrophobicContact CD1-CD1 3.96Å; L423-Y467 HydrophobicContact CD1-CD2 4.49Å; L423-Y467 HydrophobicContact CD1-CE1 4.48Å; L423-Y467 HydrophobicContact CD1-CG 3.96Å
424	L	89.8	Confident	85.4	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.1	-179	176	72.1	0	0	0	110.6	M261 L410 F413 T426 L429 I431 Y467	M261-L424 HydrophobicContact CE-CB 3.99Å; M261-L424 WeakPolarHBondContact CE-O 3.29Å; M261-L424 HydrophobicContact SD-CB 4.24Å; M261-L424 PolarHBondContact SD-N 3.42Å; L410-L424 HydrophobicContact CD2-CD2 4.18Å; F413-L424 HydrophobicContact CB-CD2 3.84Å; F413-L424 HydrophobicContact CD1-CB 3.95Å; F413-L424 HydrophobicContact CD1-CD2 4.16Å; F413-L424 HydrophobicContact CD2-CB 3.96Å; F413-L424 HydrophobicContact CD2-CD2 3.94Å; F413-L424 HydrophobicContact CD2-CG 4.42Å; F413-L424 HydrophobicContact CE1-CB 3.76Å; F413-L424 HydrophobicContact CE2-CB 3.76Å; F413-L424 HydrophobicContact CG-CB 4.05Å; F413-L424 HydrophobicContact CG-CD2 3.7Å; F413-L424 HydrophobicContact CG-CG 4.48Å; F413-L424 HydrophobicContact CZ-CB 3.65Å; L424-T426 PolarHBondContact O-N 3.31Å; L424-L429 HydrophobicContact CD1-CB 4.2Å; L424-L429 HydrophobicContact CD1-CD2 4.17Å; L424-L429 HydrophobicContact CD2-CD2 4.07Å; L424-L429 HydrophobicContact CG-CD2 4.35Å; L424-I431 HydrophobicContact CD1-CD1 4.15Å; L424-I431 HydrophobicContact CD1-CG1 3.85Å; L424-Y467 PolarHBondContact O-OH 2.92Å
425	C	89.7	Confident	83.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.			trans	-72.4	119.8	167.6	177.6	0	0	0	0	110	Y427 C428 L429 R430 F432 Y467 H470	C425-Y427 PolarHBondContact O-N 2.99Å; C425-C428 PolarHBondContact SG-SG 3.33Å; C425-L429 WeakPolarHBondContact O-CA 3.26Å; C425-L429 PolarHBondContact O-N 3.16Å; C425-R430 PolarHBondContact N-O 3.26Å; C425-F432 HydrophobicContact CB-CE2 4.09Å; C425-Y467 HydrophobicContact CB-CE2 4.42Å; C425-H470 VanDerWaalsContact SG-CD2 3.55Å; C425-H470 PolarHBondContact SG-NE2 2.89Å; C425-H470 VanDerWaalsContact SG-NE2 3.36Å
426	T	88.7	Confident	82.3	Confident	20 Å²	20	34.6 Å²	34.6	12%	0.123	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-39.3	-179.4	48.6	0	0	0	0	112.3	L265 Y406 L410 L424 C428	L265-T426 HydrophobicContact CD1-CG2 4.15Å; Y406-T426 PolarHBondContact OH-O 3.2Å; L410-T426 HydrophobicContact CD2-CG2 4.08Å; L424-T426 PolarHBondContact O-N 3.31Å; T426-C428 PolarHBondContact O-N 3.24Å
427	Y	87.9	Confident	80.8	Confident	55 Å²	55	29.6 Å²	29.6	22%	0.216	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-34.9	-175.3	-53.3	-74.9	0	0	0	114.4	L265 D269 C425 L471 H474 L488 N489	L265-Y427 HydrophobicContact CD2-CE2 4.28Å; D269-Y427 PolarHBondContact OD1-OH 2.92Å; D269-Y427 VanDerWaalsContact OD1-OH 3.13Å; C425-Y427 PolarHBondContact O-N 2.99Å; Y427-L471 HydrophobicContact CD2-CD2 3.93Å; Y427-L471 HydrophobicContact CE2-CD2 3.86Å; Y427-H474 WeakPolarHBondContact CB-ND1 3.16Å; Y427-H474 HydrophobicContact CD2-CB 3.66Å; Y427-H474 AromaticContact CD2-CD2 3.78Å; Y427-H474 AromaticContact CD2-CG 3.63Å; Y427-H474 HydrophobicContact CE2-CB 4.02Å; Y427-H474 HydrophobicContact CG-CB 4.02Å; Y427-H474 AromaticContact CG-CG 3.86Å; Y427-L488 WeakPolarHBondContact O-CA 3.49Å; Y427-N489 PolarHBondContact O-N 3.31Å
428	C	87.4	Confident	79	Confident	15 Å²	15	37.7 Å²	37.7	10%	0.101	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-6	-173.7	69.8	0	0	0	0	115.4	C425 T426 R430 H470 N489 F490	C425-C428 PolarHBondContact SG-SG 3.33Å; T426-C428 PolarHBondContact O-N 3.24Å; C428-R430 PolarHBondContact O-N 3.39Å; C428-R430 WeakPolarHBondContact SG-CB 3.23Å; C428-R430 PolarHBondContact SG-N 3.16Å; C428-R430 VanDerWaalsContact SG-N 3.41Å; C428-H470 PolarHBondContact SG-NE2 3.39Å; C428-N489 WeakPolarHBondContact CB-O 3.29Å; C428-F490 HydrophobicContact CB-CD1 4.22Å; C428-F490 HydrophobicContact CB-CE1 4.33Å
429	L	88.6	Confident	77.1	Confident	9 Å²	9	39.2 Å²	39.2	5%	0.047	20%	0.202	C	C	.	.			trans	57.9	24.4	-173	-55	176.1	0	0	0	115.5	Y394 Y406 I409 L424 C425 L488	Y394-L429 HydrophobicContact CD1-CD1 3.82Å; Y394-L429 HydrophobicContact CG-CD1 4.49Å; Y406-L429 HydrophobicContact CE2-CD2 4.45Å; I409-L429 HydrophobicContact CG1-CD1 4.12Å; I409-L429 HydrophobicContact CG1-CD2 4.14Å; I409-L429 HydrophobicContact CG2-CD1 4.11Å; I409-L429 HydrophobicContact CG2-CD2 4.18Å; L424-L429 HydrophobicContact CD1-CB 4.2Å; L424-L429 HydrophobicContact CD1-CD2 4.17Å; L424-L429 HydrophobicContact CD2-CD2 4.07Å; L424-L429 HydrophobicContact CG-CD2 4.35Å; C425-L429 WeakPolarHBondContact O-CA 3.26Å; C425-L429 PolarHBondContact O-N 3.16Å; L429-L488 HydrophobicContact CD1-CD1 4.17Å; L429-L488 HydrophobicContact CD1-CD2 3.93Å; L429-L488 HydrophobicContact CG-CD1 4.49Å; L429-L488 HydrophobicContact CG-CD2 3.8Å
430	R	86.2	Confident	75.3	Confident	121 Å²	121	41.9 Å²	41.9	46%	0.457	21%	0.214	S	C	.	.			trans	-76.1	135.2	169.4	-171.7	170.2	-178.9	137	-2.1	109.7	C425 C428 F432 D495	C425-R430 PolarHBondContact N-O 3.26Å; C428-R430 PolarHBondContact O-N 3.39Å; C428-R430 WeakPolarHBondContact SG-CB 3.23Å; C428-R430 PolarHBondContact SG-N 3.16Å; C428-R430 VanDerWaalsContact SG-N 3.41Å; R430-F432 HydrophobicContact CB-CE2 3.97Å; R430-F432 HydrophobicContact CG-CE2 3.81Å; R430-F432 HydrophobicContact CG-CZ 4.04Å; R430-D495 IonicContact NH1-OD2 2.65Å; R430-D495 PolarHBondContact NH1-OD2 2.69Å; R430-D495 VanDerWaalsContact NH1-OD2 3.1Å
431	I	87.3	Confident	72.9	Confident	33 Å²	33	46.9 Å²	46.9	17%	0.169	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.8	174.7	-70.2	114.5	0	0	0	110.2	R397 L398 F413 H422 L423 L424	R397-I431 HydrophobicContact CB-CD1 3.67Å; R397-I431 HydrophobicContact CG-CD1 4.21Å; L398-I431 HydrophobicContact CD1-CD1 4.22Å; L398-I431 HydrophobicContact CD1-CG1 4.09Å; L398-I431 HydrophobicContact CD1-CG2 4.31Å; L398-I431 HydrophobicContact CD2-CG2 4.21Å; L398-I431 HydrophobicContact CG-CD1 3.98Å; L398-I431 HydrophobicContact CG-CG1 4.24Å; L398-I431 HydrophobicContact CG-CG2 4.43Å; F413-I431 HydrophobicContact CE2-CG1 4.45Å; H422-I431 HydrophobicContact CB-CG2 3.86Å; L423-I431 CarbonylContact O-C 3.58Å; L423-I431 VanDerWaalsContact O-CA 3.32Å; L423-I431 WeakPolarHBondContact O-CA 3.18Å; L424-I431 HydrophobicContact CD1-CD1 4.15Å; L424-I431 HydrophobicContact CD1-CG1 3.85Å
432	F	86.3	Confident	70.6	Confident	28 Å²	28	48.4 Å²	48.4	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.8	176.8	-66.6	-99.1	0	0	0	109.3	L423 C425 R430 V466 Y467 H470	L423-F432 HydrophobicContact CB-CB 4.37Å; L423-F432 PolarHBondContact N-O 3.06Å; L423-F432 PolarHBondContact O-N 2.76Å; C425-F432 HydrophobicContact CB-CE2 4.09Å; R430-F432 HydrophobicContact CB-CE2 3.97Å; R430-F432 HydrophobicContact CG-CE2 3.81Å; R430-F432 HydrophobicContact CG-CZ 4.04Å; F432-V466 HydrophobicContact CD1-CG1 4.3Å; F432-V466 HydrophobicContact CE1-CG1 4.27Å; F432-Y467 HydrophobicContact CB-CD2 4.12Å; F432-Y467 AromaticContact CD2-CD2 3.63Å; F432-Y467 HydrophobicContact CD2-CD2 3.63Å; F432-Y467 HydrophobicContact CD2-CE2 4.16Å; F432-Y467 HydrophobicContact CE2-CD2 4.24Å; F432-Y467 AromaticContact CG-CD2 3.86Å; F432-Y467 HydrophobicContact CG-CD2 3.86Å; F432-H470 HydrophobicContact CE1-CB 3.94Å; F432-H470 HydrophobicContact CE2-CB 4.35Å; F432-H470 AromaticContact CE2-CD2 3.5Å; F432-H470 AromaticContact CE2-CG 3.88Å; F432-H470 HydrophobicContact CZ-CB 3.58Å; F432-H470 AromaticContact CZ-CD2 3.4Å; F432-H470 VanDerWaalsContact CZ-CD2 3.4Å; F432-H470 WeakPolarHBondContact CZ-CD2 3.49Å; F432-H470 AromaticContact CZ-CG 3.26Å; F432-H470 AromaticContact CZ-ND1 3.77Å; F432-H470 AromaticContact CZ-NE2 3.97Å
433	T	83.3	Confident	67.9	Low	58 Å²	58	52.7 Å²	52.7	36%	0.356	29%	0.29	S	S	.	.			trans	-115.7	98.6	177.2	41.1	0	0	0	0	109.9	H422 S435	H422-T433 VanDerWaalsContact CE1-CG2 3.42Å; H422-T433 WeakPolarHBondContact CE1-CG2 3.06Å; H422-T433 WeakPolarHBondContact ND1-CG2 3.47Å; T433-S435 PolarHBondContact O-N 3.45Å; T433-S435 VanDerWaalsContact O-N 3.1Å
434	P	72.9	Confident	65.2	Low	7 Å²	7	59.6 Å²	59.6	5%	0.045	33%	0.332	C	S	.	.			trans	-63.7	103.6	157	27.3	-35.2	0	0	0	109.8	F245 N421 L423 D436 Q463	F245-P434 HydrophobicContact CD1-CG 3.91Å; F245-P434 HydrophobicContact CE1-CG 3.73Å; N421-P434 WeakPolarHBondContact O-CD 3.44Å; L423-P434 HydrophobicContact CD1-CG 4.01Å; L423-P434 HydrophobicContact CG-CG 4.3Å; P434-D436 VanDerWaalsContact C-N 3.27Å; P434-D436 PolarHBondContact O-N 3.23Å; P434-Q463 HydrophobicContact CB-CB 4.09Å
435	S	57.1	Low	62.4	Low	83 Å²	83	64.5 Å²	64.5	58%	0.58	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.4	176.7	-49.5	0	0	0	0	113.9	T433 A437	T433-S435 PolarHBondContact O-N 3.45Å; T433-S435 VanDerWaalsContact O-N 3.1Å; S435-A437 VanDerWaalsContact C-N 3.27Å; S435-A437 PolarHBondContact O-N 3.27Å
436	D	54	Low	59.5	Low	56 Å²	56	72.9 Å²	72.9	30%	0.299	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.8	-169.6	-61.2	-9.6	0	0	0	114.4	P434 R438 S439 G460 Q463	P434-D436 VanDerWaalsContact C-N 3.27Å; P434-D436 PolarHBondContact O-N 3.23Å; D436-R438 PolarHBondContact O-N 3.13Å; D436-S439 PolarHBondContact O-N 3.12Å; D436-S439 VanDerWaalsContact O-N 3.16Å; D436-S439 PolarHBondContact O-OG 3.22Å; D436-G460 WeakPolarHBondContact OD2-CA 3.32Å; D436-G460 PolarHBondContact OD2-N 3Å; D436-Q463 PolarHBondContact OD1-NE2 3.12Å; D436-Q463 PolarHBondContact OD1-OE1 2.88Å
437	A	51.6	Low	56.7	Low	8 Å²	8	77.5 Å²	77.5	7%	0.066	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	1.5	-168.5	0	0	0	0	0	116	F243 R244 F245 N421 S435	F243-A437 WeakPolarHBondContact CA-O 3.38Å; F243-A437 HydrophobicContact CB-CB 3.98Å; F243-A437 HydrophobicContact CD1-CB 3.56Å; F243-A437 HydrophobicContact CE1-CB 4.48Å; F243-A437 HydrophobicContact CG-CB 4.15Å; R244-A437 PolarHBondContact N-O 3.46Å; F245-A437 HydrophobicContact CE1-CB 4.3Å; N421-A437 HydrophobicContact CB-CB 4.47Å; S435-A437 VanDerWaalsContact C-N 3.27Å; S435-A437 PolarHBondContact O-N 3.27Å
438	R	48.5	Very low	54	Low	174 Å²	174	79.7 Å²	79.7	66%	0.657	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-3.8	176.8	-58.4	-177.1	86.8	172.8	16.7	114.7	E239 F243 D436 N440	E239-R438 IonicContact OE2-CZ 3.56Å; E239-R438 IonicContact OE2-NH1 3.21Å; E239-R438 PolarHBondContact OE2-NH1 3.12Å; E239-R438 IonicContact OE2-NH2 2.66Å; F243-R438 HydrophobicContact CD1-CG 4.01Å; F243-R438 HydrophobicContact CE1-CG 3.63Å; D436-R438 PolarHBondContact O-N 3.13Å; R438-N440 PolarHBondContact O-N 3.34Å
439	S	41.9	Very low	51.7	Low	77 Å²	77	84.3 Å²	84.3	54%	0.538	50%	0.501	S	S	.	.			trans	-74.5	98.9	177.8	51.6	0	0	0	0	110.2	D436 A441	D436-S439 PolarHBondContact O-N 3.12Å; D436-S439 VanDerWaalsContact O-N 3.16Å; D436-S439 PolarHBondContact O-OG 3.22Å; S439-A441 PolarHBondContact O-N 2.81Å
440	N	38.6	Very low	48.8	Very low	83 Å²	83	88.2 Å²	88.2	44%	0.444	54%	0.544	S	S	.	.			trans	-57.7	138.4	162.2	-92.9	-29.3	0	0	0	109	R438 Q442	R438-N440 PolarHBondContact O-N 3.34Å; N440-Q442 PolarHBondContact O-N 3.09Å
441	A	34.1	Very low	46.2	Very low	104 Å²	104	85.8 Å²	85.8	86%	0.86	56%	0.556	S	S	*	*			trans	-59.8	104.1	163.6	0	0	0	0	0	108.9	S439	S439-A441 PolarHBondContact O-N 2.81Å
442	Q	34.8	Very low	43.5	Very low	69 Å²	69	91 Å²	91	32%	0.322	58%	0.583	S	S	.	*			trans	-122.3	120.5	170	-94	-81.4	-73.4	0	0	107	N440 V444 V756	N440-Q442 PolarHBondContact O-N 3.09Å; Q442-V444 PolarHBondContact O-N 2.83Å; Q442-V756 PolarHBondContact NE2-O 3.05Å; Q442-V756 PolarHBondContact OE1-O 3.29Å
443	P	29.3	Very low	40.9	Very low	104 Å²	104	94.8 Å²	94.8	68%	0.675	61%	0.613	S	S	*	*			trans	-72.1	100.7	170.9	29.9	-30.8	0	0	0	108	C445	P443-C445 VanDerWaalsContact C-N 3.3Å; P443-C445 PolarHBondContact O-N 2.85Å
444	V	31.7	Very low	38.6	Very low	145 Å²	145	98.6 Å²	98.6	88%	0.879	64%	0.637	S	S	*	*			trans	-69.1	93	172.7	-179.7	0	0	0	0	107.9	Q442	Q442-V444 PolarHBondContact O-N 2.83Å
445	C	30	Very low	36.8	Very low	105 Å²	105	105.3 Å²	105.3	71%	0.709	68%	0.677	S	S	*	*			trans	-87.3	132.7	179.2	50.9	0	0	0	0	111	P443	P443-C445 VanDerWaalsContact C-N 3.3Å; P443-C445 PolarHBondContact O-N 2.85Å
446	M	29	Very low	35.5	Very low	176 Å²	176	104.6 Å²	104.6	87%	0.867	68%	0.683	S	S	*	*			trans	62.6	89.6	155.7	-53.8	-85.9	92.1	0	0	117.4
447	S	29.7	Very low	34.6	Very low	118 Å²	118	110.2 Å²	110.2	83%	0.825	71%	0.712	S	S	*	*			trans	-98	132	137.4	-172.6	0	0	0	0	108.8	S449	S447-S449 VanDerWaalsContact C-N 3.32Å; S447-S449 PolarHBondContact O-N 3.33Å
448	A	30.9	Very low	33.8	Very low	100 Å²	100	111.9 Å²	111.9	83%	0.826	73%	0.73	S	S	*	*	S	Bend	trans	-81.3	66.4	-167.4	0	0	0	0	0	113.1
449	S	39.2	Very low	33.3	Very low	112 Å²	112	111.4 Å²	111.4	78%	0.783	74%	0.74	S	S	*	*	S	Bend	trans	-160.7	66.2	168.9	-78.1	0	0	0	0	113.9	S447 G451	S447-S449 VanDerWaalsContact C-N 3.32Å; S447-S449 PolarHBondContact O-N 3.33Å; S449-G451 PolarHBondContact O-N 3.38Å
450	G	27.4	Very low	33.3	Very low	91 Å²	91	108.8 Å²	108.8	94%	0.938	72%	0.724	S	S	*	*			trans	50.2	40.7	135.7	0	0	0	0	0	121.3
451	G	33.5	Very low	33.8	Very low	70 Å²	70	105.8 Å²	105.8	72%	0.722	71%	0.709	S	S	*	*			trans	-117.6	116.9	166.6	0	0	0	0	0	110.8	S449	S449-G451 PolarHBondContact O-N 3.38Å
452	I	30.1	Very low	34.7	Very low	143 Å²	143	102.8 Å²	102.8	73%	0.733	69%	0.688	S	S	*	*			trans	-89.3	128.9	177.8	-59.1	170.2	0	0	0	108.2
453	S	31.8	Very low	36	Very low	108 Å²	108	102.1 Å²	102.1	76%	0.755	69%	0.685	S	S	*	*			trans	-140.8	140.6	168.3	-70.9	0	0	0	0	109.6	V455	S453-V455 PolarHBondContact O-N 2.97Å
454	T	34.8	Very low	38.3	Very low	137 Å²	137	97.3 Å²	97.3	84%	0.84	65%	0.653	S	S	*	*			trans	-56.5	117.2	-165.2	35.4	0	0	0	0	113.7
455	V	35	Very low	40.5	Very low	149 Å²	149	95.3 Å²	95.3	90%	0.903	64%	0.635	S	S	*	*			trans	-83.3	125.1	168.2	175.8	0	0	0	0	107.8	S453	S453-V455 PolarHBondContact O-N 2.97Å
456	G	29.2	Very low	43.1	Very low	67 Å²	67	94.4 Å²	94.4	69%	0.691	63%	0.625	S	S	*	*			trans	-176.9	-42.3	176.5	0	0	0	0	0	119.8
457	L	34.8	Very low	45.8	Very low	175 Å²	175	86 Å²	86	92%	0.916	58%	0.584	S	S	*	*	S	Bend	trans	-131.8	90.8	-167.4	-71.6	176.5	0	0	0	115.4	L459	L457-L459 PolarHBondContact O-N 3.21Å
458	G	34.6	Very low	48.4	Very low	43 Å²	43	80.7 Å²	80.7	44%	0.443	55%	0.547	S	S	.	.			trans	46.4	68.3	142.3	0	0	0	0	0	120.2	G460 V461	G458-G460 PolarHBondContact O-N 3.18Å; G458-V461 WeakPolarHBondContact O-CG2 3.04Å; G458-V461 PolarHBondContact O-N 2.79Å
459	L	39.5	Very low	51	Low	164 Å²	164	80.8 Å²	80.8	86%	0.859	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	122.5	156	-76.5	70	0	0	0	108.5	L457	L457-L459 PolarHBondContact O-N 3.21Å
460	G	40.3	Very low	53.3	Low	21 Å²	21	76.2 Å²	76.2	22%	0.216	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	117.1	-14.5	-173.8	0	0	0	0	0	117.2	D436 G458	D436-G460 WeakPolarHBondContact OD2-CA 3.32Å; D436-G460 PolarHBondContact OD2-N 3Å; G458-G460 PolarHBondContact O-N 3.18Å
461	V	49.2	Very low	56.1	Low	21 Å²	21	71.9 Å²	71.9	13%	0.127	45%	0.451	C	S	.	.	S	Bend	trans	-86.5	-38.6	-174.1	-176.7	0	0	0	0	113.2	K246 A248 G458 Q463 T464 Q465	K246-V461 HydrophobicContact CD-CG2 4.04Å; A248-V461 HydrophobicContact CB-CG1 3.82Å; G458-V461 WeakPolarHBondContact O-CG2 3.04Å; G458-V461 PolarHBondContact O-N 2.79Å; V461-Q463 PolarHBondContact O-N 3.15Å; V461-T464 PolarHBondContact O-N 3.35Å; V461-Q465 HydrophobicContact CG1-CG 4.21Å; V461-Q465 PolarHBondContact O-N 3.05Å
462	G	53.2	Low	58.6	Low	40 Å²	40	74.4 Å²	74.4	41%	0.412	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-39.9	-164.4	0	0	0	0	0	115.7	Q465 V466	G462-Q465 WeakPolarHBondContact O-CB 3.43Å; G462-Q465 PolarHBondContact O-N 2.9Å; G462-V466 PolarHBondContact O-N 3.33Å
463	Q	63.5	Low	61.3	Low	56 Å²	56	70.4 Å²	70.4	26%	0.262	42%	0.419	S	S	.	.	H	α-helix	trans	-79	-25.7	-176.1	-60.1	134.8	12.4	0	0	112.8	P434 D436 V461 Q465 V466 Y467	P434-Q463 HydrophobicContact CB-CB 4.09Å; D436-Q463 PolarHBondContact OD1-NE2 3.12Å; D436-Q463 PolarHBondContact OD1-OE1 2.88Å; V461-Q463 PolarHBondContact O-N 3.15Å; Q463-Q465 VanDerWaalsContact C-N 3.29Å; Q463-V466 PolarHBondContact O-N 2.91Å; Q463-Y467 PolarHBondContact O-N 3.44Å
464	T	76.8	Confident	63.8	Low	2 Å²	2	66.1 Å²	66.1	1%	0.012	39%	0.387	C	S	.	.	H	α-helix	trans	-69.7	-30.7	169.3	-53	0	0	0	0	110.8	K246 L260 I264 V461 Y467 L468	K246-T464 WeakPolarHBondContact O-CG2 3.44Å; L260-T464 HydrophobicContact CD2-CG2 4.15Å; I264-T464 HydrophobicContact CD1-CG2 3.63Å; V461-T464 PolarHBondContact O-N 3.35Å; T464-Y467 PolarHBondContact O-N 2.81Å; T464-L468 HydrophobicContact CG2-CD1 4.42Å; T464-L468 PolarHBondContact O-N 2.94Å
465	Q	78.2	Confident	66.1	Low	104 Å²	104	62.6 Å²	62.6	49%	0.486	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-38.3	169.7	-68.4	-179.7	-19.2	0	0	112.3	A248 V461 G462 Q463 Y467 L468 Q469	A248-Q465 HydrophobicContact CB-CB 4.46Å; A248-Q465 HydrophobicContact CB-CG 3.32Å; V461-Q465 HydrophobicContact CG1-CG 4.21Å; V461-Q465 PolarHBondContact O-N 3.05Å; G462-Q465 WeakPolarHBondContact O-CB 3.43Å; G462-Q465 PolarHBondContact O-N 2.9Å; Q463-Q465 VanDerWaalsContact C-N 3.29Å; Q465-Y467 VanDerWaalsContact C-N 3.3Å; Q465-Y467 PolarHBondContact O-N 2.97Å; Q465-L468 PolarHBondContact O-N 2.99Å; Q465-Q469 WeakPolarHBondContact O-CB 3.44Å; Q465-Q469 PolarHBondContact O-N 2.69Å
466	V	83.5	Confident	68.2	Low	85 Å²	85	59 Å²	59	52%	0.515	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-40.6	175.1	178.8	0	0	0	0	111.5	F432 G462 Q463 H470	F432-V466 HydrophobicContact CD1-CG1 4.3Å; F432-V466 HydrophobicContact CE1-CG1 4.27Å; G462-V466 PolarHBondContact O-N 3.33Å; Q463-V466 PolarHBondContact O-N 2.91Å; V466-H470 WeakPolarHBondContact O-CB 3.37Å; V466-H470 PolarHBondContact O-N 3.2Å
467	Y	86	Confident	70.2	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-44.5	174.7	178.8	-110.5	0	0	0	112.2	M261 I264 L423 L424 C425 F432 Q463 T464 Q465 H470 L471	M261-Y467 HydrophobicContact CG-CE1 4.48Å; I264-Y467 HydrophobicContact CB-CE1 4.3Å; I264-Y467 HydrophobicContact CD1-CD1 3.89Å; I264-Y467 HydrophobicContact CD1-CE1 4.17Å; I264-Y467 HydrophobicContact CG2-CD1 4.02Å; I264-Y467 HydrophobicContact CG2-CE1 3.74Å; L423-Y467 HydrophobicContact CB-CD2 4.08Å; L423-Y467 HydrophobicContact CB-CE2 4.03Å; L423-Y467 HydrophobicContact CB-CG 4.37Å; L423-Y467 HydrophobicContact CD1-CD1 3.96Å; L423-Y467 HydrophobicContact CD1-CD2 4.49Å; L423-Y467 HydrophobicContact CD1-CE1 4.48Å; L423-Y467 HydrophobicContact CD1-CG 3.96Å; L424-Y467 PolarHBondContact O-OH 2.92Å; C425-Y467 HydrophobicContact CB-CE2 4.42Å; F432-Y467 HydrophobicContact CB-CD2 4.12Å; F432-Y467 AromaticContact CD2-CD2 3.63Å; F432-Y467 HydrophobicContact CD2-CD2 3.63Å; F432-Y467 HydrophobicContact CD2-CE2 4.16Å; F432-Y467 HydrophobicContact CE2-CD2 4.24Å; F432-Y467 AromaticContact CG-CD2 3.86Å; F432-Y467 HydrophobicContact CG-CD2 3.86Å; Q463-Y467 PolarHBondContact O-N 3.44Å; T464-Y467 PolarHBondContact O-N 2.81Å; Q465-Y467 VanDerWaalsContact C-N 3.3Å; Q465-Y467 PolarHBondContact O-N 2.97Å; Y467-H470 PolarHBondContact O-N 2.8Å; Y467-L471 HydrophobicContact CD1-CD1 4.07Å; Y467-L471 HydrophobicContact CE1-CD1 3.54Å; Y467-L471 HydrophobicContact CE1-CG 4.44Å; Y467-L471 HydrophobicContact CE2-CD1 4.34Å; Y467-L471 HydrophobicContact CE2-CG 4.46Å; Y467-L471 WeakPolarHBondContact O-CG 3.33Å; Y467-L471 PolarHBondContact O-N 3Å
468	L	85.6	Confident	71.9	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-46.6	174.4	-84.5	155.3	0	0	0	112.4	A248 V249 I264 V268 T464 Q465 H470 L471 R472	A248-L468 HydrophobicContact CB-CD1 3.7Å; V249-L468 HydrophobicContact CG2-CD1 3.99Å; V249-L468 HydrophobicContact CG2-CD2 3.87Å; I264-L468 HydrophobicContact CB-CD2 4.45Å; I264-L468 HydrophobicContact CD1-CD1 4.44Å; I264-L468 HydrophobicContact CD1-CG 4.25Å; I264-L468 HydrophobicContact CG1-CD2 4.33Å; I264-L468 HydrophobicContact CG1-CG 4.48Å; I264-L468 HydrophobicContact CG2-CD2 3.58Å; I264-L468 HydrophobicContact CG2-CG 4.02Å; V268-L468 HydrophobicContact CG2-CD2 4.37Å; T464-L468 HydrophobicContact CG2-CD1 4.42Å; T464-L468 PolarHBondContact O-N 2.94Å; Q465-L468 PolarHBondContact O-N 2.99Å; L468-H470 VanDerWaalsContact C-N 3.31Å; L468-H470 PolarHBondContact O-N 2.82Å; L468-L471 PolarHBondContact O-N 2.93Å; L468-L471 VanDerWaalsContact O-N 3.12Å; L468-R472 WeakPolarHBondContact O-CG 3.43Å; L468-R472 PolarHBondContact O-N 3.02Å
469	Q	85.4	Confident	73.6	Confident	102 Å²	102	67.4 Å²	67.4	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-38	178.4	-173	62.5	6.4	0	0	111.3	Q465 L471 R472 L473	Q465-Q469 WeakPolarHBondContact O-CB 3.44Å; Q465-Q469 PolarHBondContact O-N 2.69Å; Q469-L471 VanDerWaalsContact C-N 3.34Å; Q469-L471 PolarHBondContact O-N 2.99Å; Q469-R472 PolarHBondContact O-N 3.32Å; Q469-L473 WeakPolarHBondContact O-CG 3.38Å; Q469-L473 PolarHBondContact O-N 3.5Å; Q469-L473 VanDerWaalsContact O-N 3.1Å
470	H	87.5	Confident	75.5	Confident	16 Å²	16	60.6 Å²	60.6	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-40.4	171.9	179.5	69.6	0	0	0	112.8	C425 C428 F432 V466 Y467 L468 L473 H474	C425-H470 VanDerWaalsContact SG-CD2 3.55Å; C425-H470 PolarHBondContact SG-NE2 2.89Å; C425-H470 VanDerWaalsContact SG-NE2 3.36Å; C428-H470 PolarHBondContact SG-NE2 3.39Å; F432-H470 HydrophobicContact CE1-CB 3.94Å; F432-H470 HydrophobicContact CE2-CB 4.35Å; F432-H470 AromaticContact CE2-CD2 3.5Å; F432-H470 AromaticContact CE2-CG 3.88Å; F432-H470 HydrophobicContact CZ-CB 3.58Å; F432-H470 AromaticContact CZ-CD2 3.4Å; F432-H470 VanDerWaalsContact CZ-CD2 3.4Å; F432-H470 WeakPolarHBondContact CZ-CD2 3.49Å; F432-H470 AromaticContact CZ-CG 3.26Å; F432-H470 AromaticContact CZ-ND1 3.77Å; F432-H470 AromaticContact CZ-NE2 3.97Å; V466-H470 WeakPolarHBondContact O-CB 3.37Å; V466-H470 PolarHBondContact O-N 3.2Å; Y467-H470 PolarHBondContact O-N 2.8Å; L468-H470 VanDerWaalsContact C-N 3.31Å; L468-H470 PolarHBondContact O-N 2.82Å; H470-L473 PolarHBondContact O-N 3.21Å; H470-H474 AromaticContact CD2-NE2 3.79Å; H470-H474 AromaticContact CE1-NE2 3.4Å; H470-H474 PolarHBondContact CE1-NE2 3.28Å; H470-H474 AromaticContact NE2-CD2 3.73Å; H470-H474 AromaticContact NE2-NE2 3.02Å; H470-H474 PolarHBondContact NE2-NE2 2.94Å; H470-H474 PolarHBondContact O-CD2 3.46Å
471	L	86.6	Confident	77.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-37	176.1	-67.8	173.4	0	0	0	112.1	I264 L265 V268 Y427 Y467 L468 Q469 L473 H474	I264-L471 HydrophobicContact CG2-CD1 3.42Å; I264-L471 VanDerWaalsContact CG2-CD1 3.42Å; L265-L471 HydrophobicContact CD2-CD1 4.3Å; L265-L471 HydrophobicContact CD2-CD2 4.26Å; V268-L471 HydrophobicContact CG1-CB 4.14Å; V268-L471 HydrophobicContact CG2-CB 4.05Å; V268-L471 HydrophobicContact CG2-CD1 4.48Å; Y427-L471 HydrophobicContact CD2-CD2 3.93Å; Y427-L471 HydrophobicContact CE2-CD2 3.86Å; Y467-L471 HydrophobicContact CD1-CD1 4.07Å; Y467-L471 HydrophobicContact CE1-CD1 3.54Å; Y467-L471 HydrophobicContact CE1-CG 4.44Å; Y467-L471 HydrophobicContact CE2-CD1 4.34Å; Y467-L471 HydrophobicContact CE2-CG 4.46Å; Y467-L471 WeakPolarHBondContact O-CG 3.33Å; Y467-L471 PolarHBondContact O-N 3Å; L468-L471 PolarHBondContact O-N 2.93Å; L468-L471 VanDerWaalsContact O-N 3.12Å; Q469-L471 VanDerWaalsContact C-N 3.34Å; Q469-L471 PolarHBondContact O-N 2.99Å; L471-L473 VanDerWaalsContact C-N 3.3Å; L471-L473 PolarHBondContact O-N 3.2Å; L471-H474 WeakPolarHBondContact O-CA 3.32Å; L471-H474 WeakPolarHBondContact O-CB 3.44Å; L471-H474 PolarHBondContact O-N 3.21Å
472	R	86	Confident	79.1	Confident	122 Å²	122	72.7 Å²	72.7	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-38.1	172.6	-72	174.3	174.2	172	-5.6	112.6	L468 Q469 H474 Q475	L468-R472 WeakPolarHBondContact O-CG 3.43Å; L468-R472 PolarHBondContact O-N 3.02Å; Q469-R472 PolarHBondContact O-N 3.32Å; R472-H474 PolarHBondContact O-N 3.01Å; R472-H474 VanDerWaalsContact O-N 3.14Å; R472-Q475 VanDerWaalsContact CA-OE1 3.31Å; R472-Q475 WeakPolarHBondContact O-CB 3.44Å; R472-Q475 PolarHBondContact O-N 3.17Å
473	L	85.4	Confident	80.5	Confident	60 Å²	60	71.1 Å²	71.1	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-21.3	172.8	-66	173.4	0	0	0	113.2	Q469 H470 L471 I476 T491	Q469-L473 WeakPolarHBondContact O-CG 3.38Å; Q469-L473 PolarHBondContact O-N 3.5Å; Q469-L473 VanDerWaalsContact O-N 3.1Å; H470-L473 PolarHBondContact O-N 3.21Å; L471-L473 VanDerWaalsContact C-N 3.3Å; L471-L473 PolarHBondContact O-N 3.2Å; L473-I476 HydrophobicContact CD2-CD1 4.14Å; L473-T491 HydrophobicContact CB-CG2 3.51Å
474	H	84.1	Confident	81.4	Confident	18 Å²	18	72.1 Å²	72.1	8%	0.083	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.8	171.3	-68.3	-79.1	0	0	0	114.8	Y427 H470 L471 R472 L480 N489	Y427-H474 WeakPolarHBondContact CB-ND1 3.16Å; Y427-H474 HydrophobicContact CD2-CB 3.66Å; Y427-H474 AromaticContact CD2-CD2 3.78Å; Y427-H474 AromaticContact CD2-CG 3.63Å; Y427-H474 HydrophobicContact CE2-CB 4.02Å; Y427-H474 HydrophobicContact CG-CB 4.02Å; Y427-H474 AromaticContact CG-CG 3.86Å; H470-H474 AromaticContact CD2-NE2 3.79Å; H470-H474 AromaticContact CE1-NE2 3.4Å; H470-H474 PolarHBondContact CE1-NE2 3.28Å; H470-H474 AromaticContact NE2-CD2 3.73Å; H470-H474 AromaticContact NE2-NE2 3.02Å; H470-H474 PolarHBondContact NE2-NE2 2.94Å; H470-H474 PolarHBondContact O-CD2 3.46Å; L471-H474 WeakPolarHBondContact O-CA 3.32Å; L471-H474 WeakPolarHBondContact O-CB 3.44Å; L471-H474 PolarHBondContact O-N 3.21Å; R472-H474 PolarHBondContact O-N 3.01Å; R472-H474 VanDerWaalsContact O-N 3.14Å; H474-L480 HydrophobicContact CB-CD2 4.47Å; H474-L480 WeakPolarHBondContact O-CD1 3.4Å; H474-N489 PolarHBondContact CE1-O 2.92Å
475	Q	82.9	Confident	81.7	Confident	62 Å²	62	73.5 Å²	73.5	29%	0.29	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-30.5	169.1	-57.9	169.5	-59.1	0	0	111.4	V268 R472 K477	V268-Q475 HydrophobicContact CG1-CG 3.77Å; V268-Q475 PolarHBondContact O-NE2 3.04Å; R472-Q475 VanDerWaalsContact CA-OE1 3.31Å; R472-Q475 WeakPolarHBondContact O-CB 3.44Å; R472-Q475 PolarHBondContact O-N 3.17Å; Q475-K477 VanDerWaalsContact C-N 3.34Å; Q475-K477 PolarHBondContact O-N 3.44Å
476	I	80.3	Confident	82	Confident	75 Å²	75	68.9 Å²	68.9	39%	0.385	32%	0.321	S	S	.	.			trans	-74.3	82.2	-173.2	-50.6	178	0	0	0	110.9	L473 H478 Q479	L473-I476 HydrophobicContact CD2-CD1 4.14Å; I476-H478 PolarHBondContact O-N 3.45Å; I476-Q479 HydrophobicContact CG2-CB 4.43Å; I476-Q479 HydrophobicContact CG2-CG 4.09Å; I476-Q479 PolarHBondContact O-N 3.3Å
477	K	70	Confident	82.1	Confident	150 Å²	150	68.7 Å²	68.7	65%	0.652	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-43.9	-41	-175.2	-66.9	171.8	-171.9	161.5	0	113.8	Q475 Q479	Q475-K477 VanDerWaalsContact C-N 3.34Å; Q475-K477 PolarHBondContact O-N 3.44Å; K477-Q479 PolarHBondContact O-N 2.86Å
478	H	72.4	Confident	82.2	Confident	189 Å²	189	69 Å²	69	88%	0.875	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72.6	-20.9	-174	-120.5	-79	0	0	0	115.6	I476	I476-H478 PolarHBondContact O-N 3.45Å
479	Q	69.2	Low	82.3	Confident	121 Å²	121	70 Å²	70	57%	0.565	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-97.3	-11.3	179.4	-63	-165	14.3	0	0	113.2	I476 K477	I476-Q479 HydrophobicContact CG2-CB 4.43Å; I476-Q479 HydrophobicContact CG2-CG 4.09Å; I476-Q479 PolarHBondContact O-N 3.3Å; K477-Q479 PolarHBondContact O-N 2.86Å
480	L	79.5	Confident	82.3	Confident	22 Å²	22	65.8 Å²	65.8	12%	0.115	30%	0.298	C	S	.	.			trans	-80.3	131.2	-171.4	-69.2	161.6	0	0	0	113.2	H474 T491	H474-L480 HydrophobicContact CB-CD2 4.47Å; H474-L480 WeakPolarHBondContact O-CD1 3.4Å; L480-T491 HydrophobicContact CD2-CG2 3.92Å
481	R	80.4	Confident	82.2	Confident	142 Å²	142	66.5 Å²	66.5	54%	0.536	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	103.3	172.4	-58.4	-55.3	-179.2	173.9	-2.1	109.2	F490 Y496	R481-F490 PolarHBondContact N-O 3.34Å; R481-F490 PolarHBondContact O-N 3.01Å; R481-Y496 HydrophobicContact CB-CD1 4.24Å; R481-Y496 HydrophobicContact CB-CG 4.12Å
482	R	83.7	Confident	82	Confident	154 Å²	154	70.2 Å²	70.2	58%	0.581	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.5	174.8	-52.5	-158.5	165.6	145.5	1.3	110.1	N489	R482-N489 VanDerWaalsContact CD-OD1 3.26Å; R482-N489 WeakPolarHBondContact CD-OD1 3.41Å; R482-N489 VanDerWaalsContact CG-OD1 3.23Å; R482-N489 WeakPolarHBondContact CG-OD1 3.31Å; R482-N489 PolarHBondContact NE-OD1 2.97Å
483	C	84.1	Confident	81.8	Confident	7 Å²	7	71 Å²	71	5%	0.047	33%	0.331	C	S	.	.			trans	-80.6	125.1	173.8	-162.6	0	0	0	0	109.8	T485 C486 L488 F490 Y496 H499 H504	C483-T485 PolarHBondContact O-N 2.79Å; C483-T485 PolarHBondContact SG-OG1 2.93Å; C483-C486 VanDerWaalsContact CB-SG 3.54Å; C483-L488 PolarHBondContact N-O 3.25Å; C483-F490 HydrophobicContact CB-CE2 4.33Å; C483-Y496 HydrophobicContact CB-CE2 4.26Å; C483-H499 VanDerWaalsContact SG-CD2 3.55Å; C483-H499 PolarHBondContact SG-NE2 3.47Å; C483-H499 VanDerWaalsContact SG-NE2 3.4Å; C483-H504 PolarHBondContact SG-NE2 3.49Å; C483-H504 VanDerWaalsContact SG-NE2 3.42Å
484	P	82.2	Confident	81.6	Confident	76 Å²	76	70.8 Å²	70.8	49%	0.494	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.7	-177.5	27.3	-34.9	0	0	0	113.7	K371	K371-P484 PolarHBondContact NZ-O 3.38Å
485	T	82.9	Confident	81.6	Confident	31 Å²	31	72.4 Å²	72.4	19%	0.19	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-4	-173.2	42.4	0	0	0	0	114.4	T386 H387 C483 H504	T386-T485 HydrophobicContact CG2-CG2 4.38Å; H387-T485 PolarHBondContact CE1-O 2.81Å; C483-T485 PolarHBondContact O-N 2.79Å; C483-T485 PolarHBondContact SG-OG1 2.93Å; T485-H504 WeakPolarHBondContact CB-CE1 3.11Å; T485-H504 PolarHBondContact O-CE1 2.81Å; T485-H504 PolarHBondContact OG1-CD2 3.5Å; T485-H504 PolarHBondContact OG1-CE1 2.99Å; T485-H504 PolarHBondContact OG1-ND1 2.95Å; T485-H504 PolarHBondContact OG1-NE2 3.1Å
486	C	84.9	Confident	81.7	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.054	34%	0.337	C	S	.	.	S	Bend	trans	-149.1	-175.7	173.4	74.4	0	0	0	0	111.1	P393 Y394 C483 L488 H499	P393-C486 HydrophobicContact CB-CB 4.19Å; P393-C486 HydrophobicContact CG-CB 4.02Å; Y394-C486 HydrophobicContact CE1-CB 4.3Å; C483-C486 VanDerWaalsContact CB-SG 3.54Å; C486-L488 PolarHBondContact SG-N 3.05Å; C486-L488 VanDerWaalsContact SG-N 3.42Å; C486-H499 PolarHBondContact SG-NE2 3.36Å
487	R	86.2	Confident	81.9	Confident	81 Å²	81	71.2 Å²	71.2	31%	0.306	33%	0.334	S	S	.	.	S	Bend	trans	-84.9	-0.2	179	-63	-174.9	-170.2	-179	8.5	114.4	C369 G370 Y394 E407 N489	C369-R487 WeakPolarHBondContact O-CG 3.37Å; G370-R487 VanDerWaalsContact CA-NE 3.34Å; Y394-R487 WeakPolarHBondContact OH-CB 3.4Å; Y394-R487 WeakPolarHBondContact OH-CG 3.26Å; Y394-R487 PolarHBondContact OH-N 2.81Å; E407-R487 IonicContact OE1-NH1 3.65Å; E407-R487 IonicContact OE1-NH2 3.96Å; R487-N489 PolarHBondContact O-ND2 2.92Å
488	L	86.5	Confident	82.4	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.026	32%	0.319	C	S	.	.			trans	-80.6	141.6	-171.9	-57.1	-176.8	0	0	0	113.4	Y394 Y406 Y427 L429 C483 C486 F490	Y394-L488 HydrophobicContact CD1-CD1 4.38Å; Y394-L488 HydrophobicContact CD1-CD2 4.12Å; Y394-L488 HydrophobicContact CD1-CG 4.26Å; Y394-L488 HydrophobicContact CE1-CD1 4.46Å; Y394-L488 HydrophobicContact CE1-CD2 3.89Å; Y394-L488 HydrophobicContact CE1-CG 3.91Å; Y406-L488 HydrophobicContact CD2-CD2 4.45Å; Y406-L488 HydrophobicContact CE2-CD2 4.22Å; Y427-L488 WeakPolarHBondContact O-CA 3.49Å; L429-L488 HydrophobicContact CD1-CD1 4.17Å; L429-L488 HydrophobicContact CD1-CD2 3.93Å; L429-L488 HydrophobicContact CG-CD1 4.49Å; L429-L488 HydrophobicContact CG-CD2 3.8Å; C483-L488 PolarHBondContact N-O 3.25Å; C486-L488 PolarHBondContact SG-N 3.05Å; C486-L488 VanDerWaalsContact SG-N 3.42Å; L488-F490 HydrophobicContact CB-CE2 3.65Å; L488-F490 HydrophobicContact CB-CZ 3.74Å; L488-F490 HydrophobicContact CD1-CZ 3.89Å; L488-F490 HydrophobicContact CG-CZ 4.48Å
489	N	87.8	Confident	83	Confident	29 Å²	29	57.8 Å²	57.8	16%	0.155	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.7	175	-54.1	-93.6	0	0	0	108.3	Y427 C428 H474 R482 R487	Y427-N489 PolarHBondContact O-N 3.31Å; C428-N489 WeakPolarHBondContact CB-O 3.29Å; H474-N489 PolarHBondContact CE1-O 2.92Å; R482-N489 VanDerWaalsContact CD-OD1 3.26Å; R482-N489 WeakPolarHBondContact CD-OD1 3.41Å; R482-N489 VanDerWaalsContact CG-OD1 3.23Å; R482-N489 WeakPolarHBondContact CG-OD1 3.31Å; R482-N489 PolarHBondContact NE-OD1 2.97Å; R487-N489 PolarHBondContact O-ND2 2.92Å
490	F	85.4	Confident	83.7	Confident	13 Å²	13	58.6 Å²	58.6	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.8	-179	-61.8	-85.5	0	0	0	110.7	C428 R481 C483 L488 N492 D495 Y496 H499	C428-F490 HydrophobicContact CB-CD1 4.22Å; C428-F490 HydrophobicContact CB-CE1 4.33Å; R481-F490 PolarHBondContact N-O 3.34Å; R481-F490 PolarHBondContact O-N 3.01Å; C483-F490 HydrophobicContact CB-CE2 4.33Å; L488-F490 HydrophobicContact CB-CE2 3.65Å; L488-F490 HydrophobicContact CB-CZ 3.74Å; L488-F490 HydrophobicContact CD1-CZ 3.89Å; L488-F490 HydrophobicContact CG-CZ 4.48Å; F490-N492 VanDerWaalsContact C-N 3.34Å; F490-D495 HydrophobicContact CD1-CB 3.91Å; F490-Y496 HydrophobicContact CD2-CD2 4.08Å; F490-Y496 HydrophobicContact CE2-CD2 4.48Å; F490-H499 HydrophobicContact CE1-CB 3.99Å; F490-H499 HydrophobicContact CE2-CB 4.07Å; F490-H499 AromaticContact CE2-CD2 3.36Å; F490-H499 WeakPolarHBondContact CE2-CD2 3.34Å; F490-H499 AromaticContact CE2-CG 3.75Å; F490-H499 HydrophobicContact CZ-CB 3.51Å; F490-H499 AromaticContact CZ-CD2 3.43Å; F490-H499 VanDerWaalsContact CZ-CD2 3.43Å; F490-H499 WeakPolarHBondContact CZ-CD2 3.38Å; F490-H499 AromaticContact CZ-CG 3.32Å; F490-H499 AromaticContact CZ-ND1 3.96Å
491	T	85.8	Confident	83.8	Confident	32 Å²	32	63.3 Å²	63.3	20%	0.196	29%	0.292	C	S	.	.	S	Bend	trans	-77	-22.3	174	54.8	0	0	0	0	112.3	L473 L480	L473-T491 HydrophobicContact CB-CG2 3.51Å; L480-T491 HydrophobicContact CD2-CG2 3.92Å
492	N	82	Confident	83.7	Confident	78 Å²	78	60.4 Å²	60.4	42%	0.417	29%	0.287	S	S	.	.	S	Bend	trans	-118.6	136.3	-177.3	-164.9	-27	0	0	0	111.9	F490 S494 D495 Y496	F490-N492 VanDerWaalsContact C-N 3.34Å; N492-S494 VanDerWaalsContact C-N 3.26Å; N492-S494 PolarHBondContact ND2-OG 2.92Å; N492-S494 PolarHBondContact O-N 3.46Å; N492-S494 PolarHBondContact OD1-N 3Å; N492-S494 PolarHBondContact OD1-OG 2.96Å; N492-D495 HydrophobicContact CB-CB 4.35Å; N492-D495 PolarHBondContact O-N 3.3Å; N492-Y496 PolarHBondContact O-N 2.8Å
493	K	82.9	Confident	83.6	Confident	139 Å²	139	53.1 Å²	53.1	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-58.3	-36.5	174.3	-176.2	-179.3	178.4	-176.9	0	111.9	Q497	K493-Q497 WeakPolarHBondContact O-CG 3.24Å; K493-Q497 PolarHBondContact O-N 3.46Å
494	S	81	Confident	83.3	Confident	54 Å²	54	53.3 Å²	53.3	38%	0.378	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-47.7	-179.1	62.8	0	0	0	0	112	N492 Y496 Q497 V498	N492-S494 VanDerWaalsContact C-N 3.26Å; N492-S494 PolarHBondContact ND2-OG 2.92Å; N492-S494 PolarHBondContact O-N 3.46Å; N492-S494 PolarHBondContact OD1-N 3Å; N492-S494 PolarHBondContact OD1-OG 2.96Å; S494-Y496 VanDerWaalsContact C-N 3.33Å; S494-Y496 PolarHBondContact O-N 3.16Å; S494-Q497 PolarHBondContact O-N 2.93Å; S494-Q497 VanDerWaalsContact O-N 3.12Å; S494-V498 WeakPolarHBondContact O-CG2 3.26Å; S494-V498 PolarHBondContact O-N 2.92Å
495	D	83.2	Confident	82.8	Confident	52 Å²	52	56.3 Å²	56.3	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-44.3	176.8	-73.6	-17.5	0	0	0	111	R430 F490 N492 Q497 V498 H499	R430-D495 IonicContact NH1-OD2 2.65Å; R430-D495 PolarHBondContact NH1-OD2 2.69Å; R430-D495 VanDerWaalsContact NH1-OD2 3.1Å; F490-D495 HydrophobicContact CD1-CB 3.91Å; N492-D495 HydrophobicContact CB-CB 4.35Å; N492-D495 PolarHBondContact O-N 3.3Å; D495-Q497 PolarHBondContact O-N 3.03Å; D495-V498 PolarHBondContact O-N 3.35Å; D495-H499 WeakPolarHBondContact O-CB 3.29Å; D495-H499 PolarHBondContact O-N 3.22Å
496	Y	85	Confident	81.7	Confident	41 Å²	41	56.5 Å²	56.5	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-46.6	172.5	168.4	-119.4	0	0	0	112.8	R481 C483 F490 N492 S494 V498 H499 R500	R481-Y496 HydrophobicContact CB-CD1 4.24Å; R481-Y496 HydrophobicContact CB-CG 4.12Å; C483-Y496 HydrophobicContact CB-CE2 4.26Å; F490-Y496 HydrophobicContact CD2-CD2 4.08Å; F490-Y496 HydrophobicContact CE2-CD2 4.48Å; N492-Y496 PolarHBondContact O-N 2.8Å; S494-Y496 VanDerWaalsContact C-N 3.33Å; S494-Y496 PolarHBondContact O-N 3.16Å; Y496-V498 VanDerWaalsContact C-N 3.33Å; Y496-V498 PolarHBondContact O-N 2.91Å; Y496-H499 PolarHBondContact O-N 2.93Å; Y496-R500 WeakPolarHBondContact O-CB 3.47Å; Y496-R500 PolarHBondContact O-N 2.85Å
497	Q	84.6	Confident	80.4	Confident	72 Å²	72	59.5 Å²	59.5	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-31.5	178.1	-76.4	-180	-7.3	0	0	113.4	K493 S494 D495 R501	K493-Q497 WeakPolarHBondContact O-CG 3.24Å; K493-Q497 PolarHBondContact O-N 3.46Å; S494-Q497 PolarHBondContact O-N 2.93Å; S494-Q497 VanDerWaalsContact O-N 3.12Å; D495-Q497 PolarHBondContact O-N 3.03Å; Q497-R501 VanDerWaalsContact O-CG 3.31Å; Q497-R501 WeakPolarHBondContact O-CG 3.44Å; Q497-R501 PolarHBondContact O-N 3.29Å; Q497-R501 PolarHBondContact O-NE 3.46Å
498	V	81.7	Confident	78.6	Confident	53 Å²	53	66.1 Å²	66.1	32%	0.321	31%	0.313	S	S	.	.	H	α-helix	trans	-71.1	-49.7	174.7	171.3	0	0	0	0	109.9	S494 D495 Y496 R500 R501 L502	S494-V498 WeakPolarHBondContact O-CG2 3.26Å; S494-V498 PolarHBondContact O-N 2.92Å; D495-V498 PolarHBondContact O-N 3.35Å; Y496-V498 VanDerWaalsContact C-N 3.33Å; Y496-V498 PolarHBondContact O-N 2.91Å; V498-R500 PolarHBondContact O-N 3.3Å; V498-R501 PolarHBondContact O-N 3.46Å; V498-R501 VanDerWaalsContact O-N 3.1Å; V498-L502 HydrophobicContact CG1-CD1 3.69Å; V498-L502 HydrophobicContact CG1-CG 4.29Å; V498-L502 PolarHBondContact O-N 3.24Å
499	H	83.4	Confident	76.6	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.019	34%	0.338	C	S	.	.	H	α-helix	trans	-55.4	-50.1	176.4	169.1	63.9	0	0	0	112.4	C483 C486 F490 D495 Y496 R501 L502 D503 H504	C483-H499 VanDerWaalsContact SG-CD2 3.55Å; C483-H499 PolarHBondContact SG-NE2 3.47Å; C483-H499 VanDerWaalsContact SG-NE2 3.4Å; C486-H499 PolarHBondContact SG-NE2 3.36Å; F490-H499 HydrophobicContact CE1-CB 3.99Å; F490-H499 HydrophobicContact CE2-CB 4.07Å; F490-H499 AromaticContact CE2-CD2 3.36Å; F490-H499 WeakPolarHBondContact CE2-CD2 3.34Å; F490-H499 AromaticContact CE2-CG 3.75Å; F490-H499 HydrophobicContact CZ-CB 3.51Å; F490-H499 AromaticContact CZ-CD2 3.43Å; F490-H499 VanDerWaalsContact CZ-CD2 3.43Å; F490-H499 WeakPolarHBondContact CZ-CD2 3.38Å; F490-H499 AromaticContact CZ-CG 3.32Å; F490-H499 AromaticContact CZ-ND1 3.96Å; D495-H499 WeakPolarHBondContact O-CB 3.29Å; D495-H499 PolarHBondContact O-N 3.22Å; Y496-H499 PolarHBondContact O-N 2.93Å; H499-R501 PolarHBondContact O-N 3.19Å; H499-R501 VanDerWaalsContact O-N 3.12Å; H499-L502 PolarHBondContact O-N 3.45Å; H499-D503 IonicContact CG-OD2 3.48Å; H499-D503 IonicContact ND1-OD2 2.73Å; H499-D503 PolarHBondContact ND1-OD2 2.87Å; H499-D503 VanDerWaalsContact ND1-OD2 3.12Å; H499-D503 PolarHBondContact O-N 3.28Å; H499-H504 AromaticContact CE1-CD2 3.86Å; H499-H504 AromaticContact CE1-NE2 3.72Å; H499-H504 AromaticContact NE2-CD2 3.47Å; H499-H504 PolarHBondContact NE2-CD2 2.82Å; H499-H504 AromaticContact NE2-NE2 3.24Å; H499-H504 PolarHBondContact NE2-NE2 2.62Å
500	R	84.8	Confident	74.2	Confident	138 Å²	138	78.5 Å²	78.5	52%	0.521	38%	0.378	S	S	.	.	H	α-helix	trans	-56.8	-28.5	177.7	-169.2	178.4	74	166.8	2.6	113.2	Y496 V498	Y496-R500 WeakPolarHBondContact O-CB 3.47Å; Y496-R500 PolarHBondContact O-N 2.85Å; V498-R500 PolarHBondContact O-N 3.3Å
501	R	81.3	Confident	71.7	Confident	120 Å²	120	79.9 Å²	79.9	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-92.2	-36.7	-178.7	-73	-175.4	-71	174.4	0.2	114	A173 Q497 V498 H499	A173-R501 PolarHBondContact O-NH1 2.94Å; Q497-R501 VanDerWaalsContact O-CG 3.31Å; Q497-R501 WeakPolarHBondContact O-CG 3.44Å; Q497-R501 PolarHBondContact O-N 3.29Å; Q497-R501 PolarHBondContact O-NE 3.46Å; V498-R501 PolarHBondContact O-N 3.46Å; V498-R501 VanDerWaalsContact O-N 3.1Å; H499-R501 PolarHBondContact O-N 3.19Å; H499-R501 VanDerWaalsContact O-N 3.12Å
502	L	79.3	Confident	69.1	Low	81 Å²	81	84.1 Å²	84.1	42%	0.424	42%	0.422	S	S	.	.	H	α-helix	trans	-96.6	-35	-171.9	-63.4	-175.5	0	0	0	113.9	V498 H499	V498-L502 HydrophobicContact CG1-CD1 3.69Å; V498-L502 HydrophobicContact CG1-CG 4.29Å; V498-L502 PolarHBondContact O-N 3.24Å; H499-L502 PolarHBondContact O-N 3.45Å
503	D	80.5	Confident	66.6	Low	1 Å²	1	89.7 Å²	89.7	1%	0.005	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-26.2	-167.8	-56.6	-38.2	0	0	0	112.5	V395 R397 R402 H499 K505	V395-D503 HydrophobicContact CG2-CB 4.44Å; R397-D503 IonicContact CZ-OD2 3.31Å; R397-D503 IonicContact NH1-OD1 3.92Å; R397-D503 IonicContact NH2-OD1 3.47Å; R397-D503 IonicContact NH2-OD2 3.84Å; R397-D503 PolarHBondContact NH2-OD2 3.18Å; R402-D503 IonicContact CZ-OD1 2.74Å; R402-D503 IonicContact NH1-OD1 3.8Å; R402-D503 IonicContact NH2-OD1 2.93Å; R402-D503 PolarHBondContact NH2-OD1 3.23Å; H499-D503 IonicContact CG-OD2 3.48Å; H499-D503 IonicContact ND1-OD2 2.73Å; H499-D503 PolarHBondContact ND1-OD2 2.87Å; H499-D503 VanDerWaalsContact ND1-OD2 3.12Å; H499-D503 PolarHBondContact O-N 3.28Å; D503-K505 PolarHBondContact O-N 3Å
504	H	78.5	Confident	64.1	Low	12 Å²	12	91.8 Å²	91.8	6%	0.056	46%	0.455	C	S	.	.	S	Bend	trans	-85.7	32.1	174.1	-78.9	-67.5	0	0	0	114.4	R388 E391 C483 T485 H499	R388-H504 PolarHBondContact NH1-O 3.29Å; E391-H504 WeakPolarHBondContact OE1-CA 3.28Å; E391-H504 WeakPolarHBondContact OE1-CB 3.44Å; E391-H504 IonicContact OE1-CE1 3.41Å; E391-H504 IonicContact OE1-CG 3.06Å; E391-H504 IonicContact OE1-ND1 2.85Å; E391-H504 PolarHBondContact OE1-ND1 2.86Å; C483-H504 PolarHBondContact SG-NE2 3.49Å; C483-H504 VanDerWaalsContact SG-NE2 3.42Å; T485-H504 WeakPolarHBondContact CB-CE1 3.11Å; T485-H504 PolarHBondContact O-CE1 2.81Å; T485-H504 PolarHBondContact OG1-CD2 3.5Å; T485-H504 PolarHBondContact OG1-CE1 2.99Å; T485-H504 PolarHBondContact OG1-ND1 2.95Å; T485-H504 PolarHBondContact OG1-NE2 3.1Å; H499-H504 AromaticContact CE1-CD2 3.86Å; H499-H504 AromaticContact CE1-NE2 3.72Å; H499-H504 AromaticContact NE2-CD2 3.47Å; H499-H504 PolarHBondContact NE2-CD2 2.82Å; H499-H504 AromaticContact NE2-NE2 3.24Å; H499-H504 PolarHBondContact NE2-NE2 2.62Å
505	K	70.8	Confident	61.8	Low	139 Å²	139	94.8 Å²	94.8	60%	0.604	47%	0.472	S	S	*	.			trans	-102.3	123.4	-178.4	-168.9	170.8	-175.1	171.2	0	111.1	D503 T507	D503-K505 PolarHBondContact O-N 3Å; K505-T507 PolarHBondContact O-N 3.21Å
506	A	60.9	Low	59.1	Low	35 Å²	35	99.8 Å²	99.8	29%	0.289	50%	0.499	S	S	.	.			trans	-69	124.4	176.7	0	0	0	0	0	111.6	R388 R508	R388-A506 HydrophobicContact CB-CB 3.88Å; A506-R508 PolarHBondContact O-N 3.41Å; A506-R508 VanDerWaalsContact O-N 3.12Å
507	T	57.2	Low	56.8	Low	70 Å²	70	105.6 Å²	105.6	43%	0.429	53%	0.532	S	S	.	.			trans	-75.2	97.8	173	-58.5	0	0	0	0	109.4	K505 I557	K505-T507 PolarHBondContact O-N 3.21Å; T507-I557 HydrophobicContact CG2-CD1 4.45Å
508	R	49	Very low	54.2	Low	221 Å²	221	113.3 Å²	113.3	83%	0.834	56%	0.558	S	S	*	*			trans	-73.3	133.6	169	-82.2	-177	158.6	-178	-6.5	109.9	A506 L510	A506-R508 PolarHBondContact O-N 3.41Å; A506-R508 VanDerWaalsContact O-N 3.12Å; R508-L510 PolarHBondContact O-N 2.87Å; R508-L510 VanDerWaalsContact O-N 3.09Å
509	D	44	Very low	51.9	Low	104 Å²	104	118.9 Å²	118.9	56%	0.556	58%	0.581	S	S	*	*			trans	-56.3	111.4	178.9	-55.4	-59.9	0	0	0	111.1	R390 G511	R390-D509 IonicContact NH1-OD1 3.47Å; R390-D509 PolarHBondContact NH1-OD1 3.29Å; D509-G511 PolarHBondContact O-N 3.48Å
510	L	36.4	Very low	49.4	Very low	189 Å²	189	126.1 Å²	126.1	99%	0.99	62%	0.62	S	S	*	*			trans	-74.5	78.4	158.2	-91.5	87.5	0	0	0	108	R508	R508-L510 PolarHBondContact O-N 2.87Å; R508-L510 VanDerWaalsContact O-N 3.09Å
511	G	32.8	Very low	47	Very low	43 Å²	43	124.6 Å²	124.6	44%	0.443	63%	0.63	S	S	.	*			trans	-139.9	109.3	-177.9	0	0	0	0	0	112.1	D509	D509-G511 PolarHBondContact O-N 3.48Å
512	T	31.1	Very low	44.8	Very low	121 Å²	121	129.1 Å²	129.1	74%	0.742	65%	0.649	S	S	*	*			trans	75	71.7	171.5	-0.6	0	0	0	0	117
513	E	30.8	Very low	42.4	Very low	194 Å²	194	134 Å²	134	91%	0.907	67%	0.669	S	S	*	*			trans	-113.2	120.5	132.3	-69.9	-168.5	174.4	0	0	107.2
514	K	30.9	Very low	40	Very low	184 Å²	184	141.8 Å²	141.8	80%	0.8	71%	0.71	S	S	*	*			trans	-75.9	135.7	179.8	-73.6	179.8	172.1	-176.2	0	109.2	D516	K514-D516 PolarHBondContact O-N 3.23Å
515	P	31.2	Very low	37.6	Very low	116 Å²	116	149 Å²	149	75%	0.753	74%	0.744	S	S	*	*			trans	-64	122.8	151.4	-9.4	25.8	0	0	0	107.7	L517	P515-L517 VanDerWaalsContact C-N 3.29Å; P515-L517 PolarHBondContact O-N 3.47Å
516	D	28.1	Very low	35.5	Very low	158 Å²	158	146.9 Å²	146.9	85%	0.845	75%	0.746	S	S	*	*			trans	-81.6	74.2	179.8	-169.8	22.6	0	0	0	110.4	K514	K514-D516 PolarHBondContact O-N 3.23Å
517	L	35.2	Very low	34	Very low	163 Å²	163	155.5 Å²	155.5	85%	0.853	77%	0.772	S	S	*	*			trans	-129	129.4	169.6	-78	176.1	0	0	0	111.6	P515	P515-L517 VanDerWaalsContact C-N 3.29Å; P515-L517 PolarHBondContact O-N 3.47Å
518	R	31	Very low	33	Very low	233 Å²	233	158.1 Å²	158.1	88%	0.879	78%	0.78	S	S	*	*			trans	-65	126.6	-168.2	-71.5	167.1	153	-174.9	-10.2	113.1
519	Q	33.9	Very low	32	Very low	171 Å²	171	154.8 Å²	154.8	80%	0.799	78%	0.784	S	S	*	*				30	103.7	117.2	-175.5	169.9	0.6	0	0	116.4
520	D	30.4	Very low	31.5	Very low	155 Å²	155	157.6 Å²	157.6	83%	0.829	79%	0.791	S	S	*	*				-153.8	159	109.5	-93.5	-28.9	0	0	0	110.8
521	S	34.2	Very low	31.4	Very low	106 Å²	106	157.5 Å²	157.5	74%	0.741	79%	0.786	S	S	*	*			trans	-98.2	140.2	-157.8	53.3	0	0	0	0	115.4
522	Y	35.1	Very low	31.1	Very low	215 Å²	215	164.3 Å²	164.3	84%	0.843	81%	0.806	S	S	*	*				-154.1	132.9	126.6	57.3	-84.2	0	0	0	110.6
523	E	29.5	Very low	31	Very low	184 Å²	184	164.7 Å²	164.7	86%	0.86	81%	0.808	S	S	*	*			trans	-91.2	147.9	179.5	-66.9	170.4	131	0	0	110.4
524	L	29.3	Very low	31	Very low	164 Å²	164	160.4 Å²	160.4	86%	0.859	80%	0.795	S	S	*	*			trans	-142.5	97.1	166.3	-103.5	151.5	0	0	0	108.5
525	E	28	Very low	31.1	Very low	165 Å²	165	160.3 Å²	160.3	77%	0.771	80%	0.797	S	S	*	*			trans	-79	146.7	173.9	-62.2	-175.5	110.4	0	0	111.5
526	C	27.6	Very low	31	Very low	94 Å²	94	158.8 Å²	158.8	64%	0.635	80%	0.795	S	S	*	*			trans	168.3	150.8	133.1	-93.2	0	0	0	0	111.4
527	Y	29.6	Very low	31.2	Very low	215 Å²	215	156.8 Å²	156.8	84%	0.843	79%	0.789	S	S	*	*			cis	-130.3	144.9	-5.3	-99.6	-71.9	0	0	0	109.9
528	Q	34.3	Very low	30.9	Very low	126 Å²	126	156.3 Å²	156.3	59%	0.589	78%	0.782	S	S	*	*			trans	-92.8	124.3	168.1	-67.7	172.4	8.6	0	0	110	K530	Q528-K530 HydrophobicContact CB-CG 4.46Å; Q528-K530 PolarHBondContact O-N 3.02Å
529	T	28.1	Very low	31.1	Very low	151 Å²	151	150.8 Å²	150.8	93%	0.926	77%	0.77	S	S	*	*			trans	-74.8	72.8	166.3	-43.7	0	0	0	0	110.1
530	K	34.2	Very low	30.9	Very low	163 Å²	163	151.7 Å²	151.7	71%	0.709	77%	0.771	S	S	*	*			trans	-78.2	131.9	168.2	-88.4	171	172.8	152.4	0	109.6	Q528	Q528-K530 HydrophobicContact CB-CG 4.46Å; Q528-K530 PolarHBondContact O-N 3.02Å
531	Q	33.6	Very low	30.9	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	77%	0.765	S	S	*	*			trans	-61.2	146	175.7	-66.1	168.7	-8.8	0	0	110.8	T533	Q531-T533 PolarHBondContact O-N 3.36Å
532	H	28.1	Very low	30.9	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.866	76%	0.761	S	S	*	*			trans	-39.8	124.4	178.2	-83	-119	0	0	0	114.4
533	T	28.9	Very low	30.9	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	76%	0.759	S	S	*	*			trans	-155.2	108.6	130.7	-15.7	0	0	0	0	112.5	Q531	Q531-T533 PolarHBondContact O-N 3.36Å
534	T	29.8	Very low	30.8	Very low	105 Å²	105	143.7 Å²	143.7	64%	0.644	75%	0.751	S	S	*	*			trans	54.4	114.6	147.7	51.7	0	0	0	0	122.6
535	Q	32.6	Very low	31	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	74%	0.744	S	S	*	*				90.1	124.2	127.3	-66.9	171.4	18.4	0	0	121.6
536	A	30.2	Very low	31.2	Very low	84 Å²	84	138.5 Å²	138.5	69%	0.694	74%	0.741	S	S	*	*			trans	90.8	113	141.8	0	0	0	0	0	120.7
537	T	32.2	Very low	31.3	Very low	117 Å²	117	140.6 Å²	140.6	72%	0.718	75%	0.745	S	S	*	*				53.3	137.5	128.7	62.2	0	0	0	0	120
538	E	29.1	Very low	31.3	Very low	152 Å²	152	137.3 Å²	137.3	71%	0.71	74%	0.742	S	S	*	*			cis	-171.8	151.3	6.6	-118.8	172.1	-124.7	0	0	111
539	N	35	Very low	31.3	Very low	118 Å²	118	136.8 Å²	136.8	63%	0.631	75%	0.752	S	S	*	*			trans	68.4	128.4	147.5	-57.6	-30	0	0	0	124.2
540	F	30.2	Very low	31.4	Very low	189 Å²	189	137.8 Å²	137.8	83%	0.829	75%	0.75	S	S	*	*			trans	44.7	130.5	141.8	-73.3	-104.2	0	0	0	119.3
541	G	30.3	Very low	31.3	Very low	67 Å²	67	140.7 Å²	140.7	69%	0.691	76%	0.757	S	S	*	*			cis	160.6	-174.5	18.6	0	0	0	0	0	108.3
542	D	33.3	Very low	31	Very low	124 Å²	124	139.3 Å²	139.3	66%	0.663	75%	0.754	S	S	*	*			cis	-165.5	153.6	-9.1	-74.1	-44.5	0	0	0	109.1
543	H	35.1	Very low	31.1	Very low	175 Å²	175	136.6 Å²	136.6	81%	0.81	75%	0.75	S	S	*	*			trans	61.9	150.5	165.6	-69.4	-56.4	0	0	0	120.4
544	N	27.7	Very low	31	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	75%	0.751	S	S	*	*			cis	-168.9	161.9	-25.4	-131.2	-7.7	0	0	0	111
545	T	32.4	Very low	31.2	Very low	116 Å²	116	140 Å²	140	71%	0.712	75%	0.748	S	S	*	*			trans	71.7	141.3	151.2	51.9	0	0	0	0	125.1
546	S	33.4	Very low	31.3	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	74%	0.74	S	S	*	*			trans	73.8	106.5	160.5	-59.5	0	0	0	0	118.6
547	I	30.2	Very low	31.4	Very low	139 Å²	139	138.5 Å²	138.5	71%	0.713	73%	0.728	S	S	*	*				91.2	136.1	65.3	-73.6	169.2	0	0	0	112.8
548	D	28.7	Very low	31.6	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	71%	0.712	S	S	*	*			trans	62.4	110.5	171.6	-64.9	-25.3	0	0	0	120.5
549	S	34	Very low	31.9	Very low	115 Å²	115	133.6 Å²	133.6	80%	0.804	71%	0.713	S	S	*	*			trans	-167	109.6	143.3	-84.3	0	0	0	0	112.3	R551	S549-R551 PolarHBondContact O-N 3.4Å
550	I	30.6	Very low	31.7	Very low	171 Å²	171	134.8 Å²	134.8	88%	0.877	72%	0.717	S	S	*	*			trans	-51	123.3	171.1	-61.6	165.1	0	0	0	110.2
551	R	31	Very low	31.7	Very low	224 Å²	224	133.4 Å²	133.4	85%	0.845	72%	0.718	S	S	*	*			trans	-107.5	107.7	173.7	-76.5	-169.1	178.1	-173	1.8	112.1	S549 V553	S549-R551 PolarHBondContact O-N 3.4Å; R551-V553 PolarHBondContact O-N 3.5Å; R551-V553 VanDerWaalsContact O-N 3.16Å
552	I	28.1	Very low	31.5	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	72%	0.722	S	S	*	*			trans	-55.2	110.6	168.9	-61.4	162.5	0	0	0	109.5	R554	I552-R554 PolarHBondContact O-N 2.93Å
553	V	29.7	Very low	31.2	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	73%	0.729	S	S	*	*			trans	-81.4	112.4	179.2	-176.6	0	0	0	0	109.9	R551	R551-V553 PolarHBondContact O-N 3.5Å; R551-V553 VanDerWaalsContact O-N 3.16Å
554	R	28.1	Very low	30.8	Very low	215 Å²	215	135.7 Å²	135.7	81%	0.811	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-77.2	139.8	165.6	-79.1	177	157.4	106.8	-5.8	109.2	I552 H556	I552-R554 PolarHBondContact O-N 2.93Å; R554-H556 PolarHBondContact O-N 3.21Å; R554-H556 VanDerWaalsContact O-N 3.16Å
555	P	32.4	Very low	30.8	Very low	89 Å²	89	134.5 Å²	134.5	58%	0.578	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-64.8	118.1	178.2	26.5	-33.6	0	0	0	110.3
556	H	35	Very low	31	Very low	147 Å²	147	132.3 Å²	132.3	68%	0.681	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-79.5	121.2	-178.9	-167.5	-86.6	0	0	0	109.7	R554 T558	R554-H556 PolarHBondContact O-N 3.21Å; R554-H556 VanDerWaalsContact O-N 3.16Å; H556-T558 PolarHBondContact ND1-OG1 3.47Å; H556-T558 PolarHBondContact O-N 2.96Å; H556-T558 PolarHBondContact O-OG1 3.4Å
557	I	33.5	Very low	31.4	Very low	88 Å²	88	131.8 Å²	131.8	45%	0.451	74%	0.737	S	S	.	*			trans	-81.7	100.9	175.6	-63	175.6	0	0	0	107.8	T507	T507-I557 HydrophobicContact CG2-CD1 4.45Å
558	T	35.4	Very low	32.3	Very low	60 Å²	60	127.9 Å²	127.9	37%	0.368	73%	0.726	S	S	.	*			trans	-88.8	115.5	-172.9	-45.1	0	0	0	0	111.4	D231 H556	D231-T558 PolarHBondContact OD2-OG1 3.39Å; D231-T558 VanDerWaalsContact OD2-OG1 3.13Å; H556-T558 PolarHBondContact ND1-OG1 3.47Å; H556-T558 PolarHBondContact O-N 2.96Å; H556-T558 PolarHBondContact O-OG1 3.4Å
559	S	35.9	Very low	33.4	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	72%	0.717	S	S	*	*			trans	-70.9	130.6	169.8	53.7	0	0	0	0	110.4	N561	S559-N561 PolarHBondContact O-N 3.1Å; S559-N561 VanDerWaalsContact O-N 3.09Å
560	M	30.1	Very low	34.4	Very low	144 Å²	144	126 Å²	126	71%	0.709	70%	0.7	S	S	*	*	S	Bend	trans	-54.4	112.7	-172.3	-61.7	-169.4	-52.5	0	0	114
561	N	29.7	Very low	35.5	Very low	160 Å²	160	119.8 Å²	119.8	86%	0.856	67%	0.669	S	S	*	*			trans	-150.8	120.1	141.5	-86.8	-45.5	0	0	0	106.3	S559	S559-N561 PolarHBondContact O-N 3.1Å; S559-N561 VanDerWaalsContact O-N 3.09Å
562	A	27.7	Very low	36.4	Very low	95 Å²	95	112.9 Å²	112.9	79%	0.785	66%	0.66	S	S	*	*			trans	-72.3	166.2	-170.1	0	0	0	0	0	112.6
563	P	26.6	Very low	37.4	Very low	124 Å²	124	112.2 Å²	112.2	81%	0.805	66%	0.656	S	S	*	*				-150.9	123.5	84.5	35.6	-15.8	0	0	0	116.5
564	E	26.2	Very low	38	Very low	194 Å²	194	110 Å²	110	91%	0.907	64%	0.64	S	S	*	*			trans	-162	142.6	158.9	-115.1	169.9	-165.2	0	0	108.6
565	A	27.9	Very low	38.7	Very low	101 Å²	101	109.8 Å²	109.8	84%	0.835	65%	0.645	S	S	*	*	S	Bend	cis	-134.3	158.4	1.7	0	0	0	0	0	110.2
566	G	36.3	Very low	39.5	Very low	71 Å²	71	109 Å²	109	73%	0.732	64%	0.636	S	S	*	*			trans	135.3	4.1	175.4	0	0	0	0	0	116.8
567	C	41.5	Very low	40.3	Very low	92 Å²	92	105.8 Å²	105.8	62%	0.622	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-84	125.6	173	50.3	0	0	0	0	111.5	K569	C567-K569 PolarHBondContact O-N 3.32Å
568	A	50.8	Low	41.3	Very low	57 Å²	57	109.6 Å²	109.6	47%	0.471	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-60.3	123.9	163.6	0	0	0	0	0	108.6	Y600 L601	A568-Y600 WeakPolarHBondContact CA-O 3.38Å; A568-L601 HydrophobicContact CB-CD2 4.36Å
569	K	51.6	Low	42.5	Very low	139 Å²	139	113 Å²	113	60%	0.604	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.2	123.3	176.7	-67.4	-178	179.5	177.4	0	108.2	C567 L571 Y600	C567-K569 PolarHBondContact O-N 3.32Å; K569-L571 PolarHBondContact O-N 2.91Å; K569-Y600 PolarHBondContact N-O 3.23Å; K569-Y600 PolarHBondContact O-N 3.29Å
570	N	53.6	Low	43.7	Very low	82 Å²	82	110 Å²	110	44%	0.439	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	114.3	177.1	-159.7	-32.3	0	0	0	108.4	A572 A598	N570-A572 PolarHBondContact O-N 3.13Å; N570-A572 VanDerWaalsContact OD1-CB 3.28Å; N570-A572 WeakPolarHBondContact OD1-CB 3.43Å; N570-A572 PolarHBondContact OD1-N 2.73Å; N570-A598 PolarHBondContact OD1-O 3.13Å
571	L	55.2	Low	45.1	Very low	41 Å²	41	109.1 Å²	109.1	22%	0.215	63%	0.629	C	S	.	*	G	3₁₀ helix	trans	-71.6	-9.9	-179.4	-82.9	86.6	0	0	0	112.4	K569 I573 N574 A598	K569-L571 PolarHBondContact O-N 2.91Å; L571-I573 PolarHBondContact O-N 3Å; L571-N574 PolarHBondContact O-N 3.28Å; L571-N574 VanDerWaalsContact O-O 3.12Å; L571-A598 PolarHBondContact N-O 2.99Å
572	A	48.1	Very low	46.8	Very low	80 Å²	80	107.3 Å²	107.3	66%	0.661	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-59.4	-9.7	177.6	0	0	0	0	0	115.1	N570	N570-A572 PolarHBondContact O-N 3.13Å; N570-A572 VanDerWaalsContact OD1-CB 3.28Å; N570-A572 WeakPolarHBondContact OD1-CB 3.43Å; N570-A572 PolarHBondContact OD1-N 2.73Å
573	I	50.4	Low	48.8	Very low	144 Å²	144	107.5 Å²	107.5	74%	0.738	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-95	-15.1	174.7	-41.6	-179.9	0	0	0	111.5	L571	L571-I573 PolarHBondContact O-N 3Å
574	N	42.9	Very low	51.1	Low	81 Å²	81	108.1 Å²	108.1	43%	0.433	60%	0.599	S	S	.	*	S	Bend	trans	-97.7	129.9	177.9	-65.7	-4.5	0	0	0	109.5	L571 L576	L571-N574 PolarHBondContact O-N 3.28Å; L571-N574 VanDerWaalsContact O-O 3.12Å; N574-L576 PolarHBondContact O-N 2.96Å
575	F	42.6	Very low	53.4	Low	211 Å²	211	99.2 Å²	99.2	93%	0.925	56%	0.558	S	S	*	*			trans	-66.7	104	170.2	-76.9	-92.4	0	0	0	109.8
576	L	49	Very low	55.6	Low	73 Å²	73	103.1 Å²	103.1	38%	0.382	56%	0.564	S	S	.	*			trans	-67.6	132.5	160.8	-71.8	141.8	0	0	0	107.5	N574 E578 I580	N574-L576 PolarHBondContact O-N 2.96Å; L576-E578 PolarHBondContact O-N 3.33Å; L576-I580 HydrophobicContact CD2-CB 4.38Å; L576-I580 HydrophobicContact CD2-CD1 4.13Å; L576-I580 HydrophobicContact CD2-CG2 3.94Å
577	P	51	Low	57.5	Low	79 Å²	79	102.6 Å²	102.6	51%	0.513	54%	0.542	S	S	.	.			trans	-52.8	137.4	167.9	-25	31.9	0	0	0	110.5	N579 I580	P577-N579 PolarHBondContact O-N 3.41Å; P577-I580 HydrophobicContact CB-CG1 4.35Å; P577-I580 HydrophobicContact CG-CD1 4.22Å; P577-I580 HydrophobicContact CG-CG1 4.48Å; P577-I580 WeakPolarHBondContact O-CB 3.4Å; P577-I580 PolarHBondContact O-N 3.24Å
578	E	54.3	Low	59.3	Low	169 Å²	169	99.8 Å²	99.8	79%	0.79	52%	0.524	S	S	*	.	H	α-helix	trans	-52.7	-29.7	-176.7	-64.9	179.4	146.7	0	0	112.9	L576 I580 E581	L576-E578 PolarHBondContact O-N 3.33Å; E578-I580 PolarHBondContact O-N 3.38Å; E578-E581 PolarHBondContact O-N 3.45Å
579	N	60.9	Low	60.5	Low	130 Å²	130	99.4 Å²	99.4	70%	0.695	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-23.3	175.7	-64.8	-40.7	0	0	0	114.1	P577	P577-N579 PolarHBondContact O-N 3.41Å
580	I	61.4	Low	61.8	Low	44 Å²	44	97 Å²	97	23%	0.226	51%	0.514	C	S	.	.	H	α-helix	trans	-75.6	-29.3	-179.2	-58.5	-169.2	0	0	0	111.6	L576 P577 E578 N582 L583 M592	L576-I580 HydrophobicContact CD2-CB 4.38Å; L576-I580 HydrophobicContact CD2-CD1 4.13Å; L576-I580 HydrophobicContact CD2-CG2 3.94Å; P577-I580 HydrophobicContact CB-CG1 4.35Å; P577-I580 HydrophobicContact CG-CD1 4.22Å; P577-I580 HydrophobicContact CG-CG1 4.48Å; P577-I580 WeakPolarHBondContact O-CB 3.4Å; P577-I580 PolarHBondContact O-N 3.24Å; E578-I580 PolarHBondContact O-N 3.38Å; I580-N582 PolarHBondContact O-N 3.38Å; I580-N582 VanDerWaalsContact O-N 3.11Å; I580-L583 HydrophobicContact CB-CD1 4.47Å; I580-L583 HydrophobicContact CG1-CD1 4.27Å; I580-L583 HydrophobicContact CG2-CD1 4.43Å; I580-L583 WeakPolarHBondContact O-CB 3.26Å; I580-L583 PolarHBondContact O-N 3.43Å; I580-M592 HydrophobicContact CG2-CB 3.92Å; I580-M592 HydrophobicContact CG2-CE 4.37Å; I580-M592 HydrophobicContact CG2-CG 4.46Å; I580-M592 WeakPolarHBondContact O-CB 3.37Å
581	E	58.9	Low	62.9	Low	124 Å²	124	100.5 Å²	100.5	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-59.9	-27.6	177.9	-61.1	-167.6	164.4	0	0	112.7	E578	E578-E581 PolarHBondContact O-N 3.45Å
582	N	66.7	Low	63.6	Low	122 Å²	122	100.5 Å²	100.5	65%	0.652	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-8.3	177.4	-67.2	-48.3	0	0	0	114.4	I580	I580-N582 PolarHBondContact O-N 3.38Å; I580-N582 VanDerWaalsContact O-N 3.11Å
583	L	68.1	Low	64.6	Low	99 Å²	99	99 Å²	99	52%	0.518	51%	0.513	S	S	.	.	S	Bend	trans	-80.3	140.8	178.1	-69	174.1	0	0	0	111.4	I580 M592	I580-L583 HydrophobicContact CB-CD1 4.47Å; I580-L583 HydrophobicContact CG1-CD1 4.27Å; I580-L583 HydrophobicContact CG2-CD1 4.43Å; I580-L583 WeakPolarHBondContact O-CB 3.26Å; I580-L583 PolarHBondContact O-N 3.43Å; L583-M592 HydrophobicContact CB-CG 4.27Å; L583-M592 WeakPolarHBondContact O-CB 3.38Å; L583-M592 WeakPolarHBondContact O-CG 3.45Å; L583-M592 PolarHBondContact O-N 3.31Å
584	E	76	Confident	65.7	Low	138 Å²	138	95.5 Å²	95.5	65%	0.645	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-85.2	135.3	172.5	-64.8	-177.2	174.7	0	0	110.7	L586	E584-L586 PolarHBondContact O-N 3.17Å
585	C	73.8	Confident	67.1	Low	6 Å²	6	96.5 Å²	96.5	4%	0.041	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-70.6	119.7	177.8	176.7	0	0	0	0	110.7	E587 C588 G589 K590 M592 H597 C612	C585-E587 PolarHBondContact O-N 3.22Å; C585-E587 PolarHBondContact SG-N 3.25Å; C585-C588 PolarHBondContact O-N 3.04Å; C585-C588 VanDerWaalsContact O-N 3.16Å; C585-G589 WeakPolarHBondContact O-CA 3.5Å; C585-G589 PolarHBondContact O-N 3.35Å; C585-K590 WeakPolarHBondContact CB-O 3.19Å; C585-K590 PolarHBondContact N-O 3.3Å; C585-M592 HydrophobicContact CB-CG 4.37Å; C585-M592 HydrophobicContact CB-SD 3.76Å; C585-H597 VanDerWaalsContact CB-NE2 3.29Å; C585-H597 WeakPolarHBondContact CB-NE2 3.44Å; C585-H597 PolarHBondContact SG-NE2 3.03Å; C585-C612 VanDerWaalsContact SG-CB 3.59Å
586	L	74.2	Confident	68.5	Low	183 Å²	183	88.3 Å²	88.3	96%	0.958	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.7	179.2	-61.8	173.8	0	0	0	114.5	E584	E584-L586 PolarHBondContact O-N 3.17Å
587	E	75.9	Confident	69.7	Low	60 Å²	60	85.1 Å²	85.1	28%	0.28	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-20.1	-179.6	-61	-171	166.5	0	0	114.4	C585 T610 C612 G615 R618	C585-E587 PolarHBondContact O-N 3.22Å; C585-E587 PolarHBondContact SG-N 3.25Å; E587-T610 PolarHBondContact OE1-OG1 2.95Å; E587-T610 VanDerWaalsContact OE2-CB 3.3Å; E587-T610 WeakPolarHBondContact OE2-CB 3.47Å; E587-T610 PolarHBondContact OE2-OG1 2.9Å; E587-C612 HydrophobicContact CB-CB 4.03Å; E587-C612 WeakPolarHBondContact OE2-CB 3.48Å; E587-G615 WeakPolarHBondContact OE2-CA 3.48Å; E587-R618 PolarHBondContact O-NH1 3.39Å
588	C	79.5	Confident	70.7	Confident	34 Å²	34	82.8 Å²	82.8	23%	0.23	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-6.9	-177.1	79.3	0	0	0	0	116.7	C585 K590 H597 V614	C585-C588 PolarHBondContact O-N 3.04Å; C585-C588 VanDerWaalsContact O-N 3.16Å; C588-K590 PolarHBondContact O-N 2.93Å; C588-H597 PolarHBondContact SG-CE1 3.23Å; C588-H597 PolarHBondContact SG-NE2 2.8Å; C588-V614 HydrophobicContact CB-CB 3.91Å; C588-V614 HydrophobicContact CB-CG1 4.15Å; C588-V614 HydrophobicContact CB-CG2 4.33Å
589	G	76.8	Confident	71.3	Confident	48 Å²	48	78.6 Å²	78.6	50%	0.495	43%	0.426	S	S	.	.	S	Bend	trans	71.6	-0.2	-180	0	0	0	0	0	115.6	C585	C585-G589 WeakPolarHBondContact O-CA 3.5Å; C585-G589 PolarHBondContact O-N 3.35Å
590	K	79.2	Confident	71.9	Confident	88 Å²	88	77.6 Å²	77.6	38%	0.383	41%	0.413	S	S	.	.	S	Bend	trans	-85.5	165.2	174.9	-57.2	-176.6	-175.7	-174	0	111.5	C585 C588 D594 D596	C585-K590 WeakPolarHBondContact CB-O 3.19Å; C585-K590 PolarHBondContact N-O 3.3Å; C588-K590 PolarHBondContact O-N 2.93Å; K590-D594 WeakPolarHBondContact CB-OD2 3.05Å; K590-D596 IonicContact NZ-OD2 3.1Å; K590-D596 PolarHBondContact NZ-OD2 2.95Å
591	R	75.7	Confident	72.6	Confident	156 Å²	156	76.6 Å²	76.6	59%	0.589	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-67.7	140.2	177.8	-67.6	-177.8	-179	172.6	-1.3	111.6	G593 D594 H597	R591-G593 PolarHBondContact O-N 3.49Å; R591-D594 WeakPolarHBondContact O-CB 3.39Å; R591-D594 PolarHBondContact O-N 3.32Å; R591-H597 PolarHBondContact O-ND1 2.93Å
592	M	69.9	Low	73.3	Confident	41 Å²	41	72.8 Å²	72.8	20%	0.202	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.1	177.7	-73.1	-73.2	-62.3	0	0	113.2	I580 L583 C585 D594 H597	I580-M592 HydrophobicContact CG2-CB 3.92Å; I580-M592 HydrophobicContact CG2-CE 4.37Å; I580-M592 HydrophobicContact CG2-CG 4.46Å; I580-M592 WeakPolarHBondContact O-CB 3.37Å; L583-M592 HydrophobicContact CB-CG 4.27Å; L583-M592 WeakPolarHBondContact O-CB 3.38Å; L583-M592 WeakPolarHBondContact O-CG 3.45Å; L583-M592 PolarHBondContact O-N 3.31Å; C585-M592 HydrophobicContact CB-CG 4.37Å; C585-M592 HydrophobicContact CB-SD 3.76Å; M592-D594 VanDerWaalsContact C-N 3.31Å; M592-H597 WeakPolarHBondContact O-CB 3.4Å; M592-H597 HydrophobicContact SD-CB 4.28Å
593	G	69	Low	73.7	Confident	49 Å²	49	67.6 Å²	67.6	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13	168.5	0	0	0	0	0	115	R591	R591-G593 PolarHBondContact O-N 3.49Å
594	D	73.3	Confident	73.8	Confident	70 Å²	70	68.6 Å²	68.6	37%	0.374	38%	0.383	S	S	.	.	S	Bend	trans	-67.3	146.6	177.3	-73.9	-20.5	0	0	0	111.5	K590 R591 M592 D596 H597	K590-D594 WeakPolarHBondContact CB-OD2 3.05Å; R591-D594 WeakPolarHBondContact O-CB 3.39Å; R591-D594 PolarHBondContact O-N 3.32Å; M592-D594 VanDerWaalsContact C-N 3.31Å; D594-D596 PolarHBondContact O-N 3.09Å; D594-H597 PolarHBondContact O-N 3.15Å
595	S	73	Confident	73.1	Confident	103 Å²	103	66.6 Å²	66.6	72%	0.72	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.9	179.4	59.3	0	0	0	0	115.1	H597	S595-H597 PolarHBondContact O-N 3.44Å
596	D	72	Confident	72.9	Confident	38 Å²	38	68.7 Å²	68.7	20%	0.203	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.5	174.3	-73.8	-22.7	0	0	0	113.8	K590 D594 R613	K590-D596 IonicContact NZ-OD2 3.1Å; K590-D596 PolarHBondContact NZ-OD2 2.95Å; D594-D596 PolarHBondContact O-N 3.09Å; D596-R613 HydrophobicContact CB-CB 4.4Å; D596-R613 WeakPolarHBondContact O-CB 3.48Å; D596-R613 PolarHBondContact O-N 3.15Å
597	H	75.2	Confident	72.4	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.028	38%	0.384	C	S	.	.	S	Bend	trans	-111.8	-6.5	-178.8	-60.1	103.8	0	0	0	114.6	C585 C588 R591 M592 D594 S595 Q599 C611 C612	C585-H597 VanDerWaalsContact CB-NE2 3.29Å; C585-H597 WeakPolarHBondContact CB-NE2 3.44Å; C585-H597 PolarHBondContact SG-NE2 3.03Å; C588-H597 PolarHBondContact SG-CE1 3.23Å; C588-H597 PolarHBondContact SG-NE2 2.8Å; R591-H597 PolarHBondContact O-ND1 2.93Å; M592-H597 WeakPolarHBondContact O-CB 3.4Å; M592-H597 HydrophobicContact SD-CB 4.28Å; D594-H597 PolarHBondContact O-N 3.15Å; S595-H597 PolarHBondContact O-N 3.44Å; H597-Q599 PolarHBondContact O-N 3.45Å; H597-C611 WeakPolarHBondContact CA-O 3.47Å; H597-C612 PolarHBondContact NE2-SG 3.39Å
598	A	70.2	Confident	71.9	Confident	30 Å²	30	68.8 Å²	68.8	25%	0.248	38%	0.381	C	S	.	.	S	Bend	trans	-75.4	11	-172.8	0	0	0	0	0	114.9	N570 L571	N570-A598 PolarHBondContact OD1-O 3.13Å; L571-A598 PolarHBondContact N-O 2.99Å
599	Q	67.1	Low	71.5	Confident	81 Å²	81	69 Å²	69	38%	0.379	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.6	-173.4	-59.9	-177.4	16.2	0	0	111.9	H597 L601 C611	H597-Q599 PolarHBondContact O-N 3.45Å; Q599-L601 HydrophobicContact CB-CD2 4.18Å; Q599-L601 HydrophobicContact CB-CG 4.4Å; Q599-C611 CarbonylContact O-C 3.57Å; Q599-C611 VanDerWaalsContact O-CA 3.31Å; Q599-C611 WeakPolarHBondContact O-CA 3.35Å
600	Y	73.8	Confident	71.5	Confident	109 Å²	109	67.3 Å²	67.3	43%	0.427	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116.6	170.1	179.8	-105.3	0	0	0	109.2	A568 K569 P602 A609	A568-Y600 WeakPolarHBondContact CA-O 3.38Å; K569-Y600 PolarHBondContact N-O 3.23Å; K569-Y600 PolarHBondContact O-N 3.29Å; Y600-P602 HydrophobicContact CD1-CG 4.12Å; Y600-P602 HydrophobicContact CE1-CB 3.86Å; Y600-P602 HydrophobicContact CE1-CG 3.83Å; Y600-P602 VanDerWaalsContact O-CD 3.24Å; Y600-P602 WeakPolarHBondContact O-CD 3.32Å; Y600-A609 HydrophobicContact CE2-CB 3.79Å; Y600-A609 WeakPolarHBondContact OH-CB 3.37Å
601	L	76.8	Confident	71.4	Confident	24 Å²	24	64.8 Å²	64.8	13%	0.126	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	86.8	-174.2	-58.5	174.2	0	0	0	110.1	A568 Q599 A609 T610 R613 F616	A568-L601 HydrophobicContact CB-CD2 4.36Å; Q599-L601 HydrophobicContact CB-CD2 4.18Å; Q599-L601 HydrophobicContact CB-CG 4.4Å; L601-A609 WeakPolarHBondContact O-CA 3.4Å; L601-T610 HydrophobicContact CB-CG2 4.47Å; L601-T610 WeakPolarHBondContact CB-O 3.15Å; L601-T610 PolarHBondContact N-O 2.95Å; L601-T610 PolarHBondContact O-N 2.93Å; L601-T610 VanDerWaalsContact O-N 3.14Å; L601-R613 HydrophobicContact CD1-CB 4.11Å; L601-R613 HydrophobicContact CD1-CG 4.36Å; L601-F616 HydrophobicContact CB-CB 4.18Å; L601-F616 HydrophobicContact CB-CD2 3.72Å; L601-F616 HydrophobicContact CB-CE2 4.25Å; L601-F616 HydrophobicContact CB-CG 3.88Å; L601-F616 HydrophobicContact CD1-CB 3.88Å; L601-F616 HydrophobicContact CD1-CG 4.2Å; L601-F616 WeakPolarHBondContact O-CD2 3.15Å
602	P	73.9	Confident	71.7	Confident	43 Å²	43	57.4 Å²	57.4	28%	0.279	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.3	172.2	32.7	-33	0	0	0	110.8	Y600 A609	Y600-P602 HydrophobicContact CD1-CG 4.12Å; Y600-P602 HydrophobicContact CE1-CB 3.86Å; Y600-P602 HydrophobicContact CE1-CG 3.83Å; Y600-P602 VanDerWaalsContact O-CD 3.24Å; Y600-P602 WeakPolarHBondContact O-CD 3.32Å; P602-A609 HydrophobicContact CB-CB 4.2Å
603	C	73.6	Confident	72.3	Confident	14 Å²	14	63 Å²	63	10%	0.095	35%	0.349	C	S	.	.			trans	-74	140.3	171.1	-172.5	0	0	0	0	110.2	V605 F608 F616 H619 H624	C603-V605 VanDerWaalsContact C-N 3.32Å; C603-V605 PolarHBondContact SG-N 3.1Å; C603-V605 VanDerWaalsContact SG-N 3.42Å; C603-F608 HydrophobicContact CB-CB 4.35Å; C603-F608 WeakPolarHBondContact CB-O 3.26Å; C603-F608 PolarHBondContact N-O 3.46Å; C603-F616 HydrophobicContact CB-CE2 4.17Å; C603-H619 PolarHBondContact SG-NE2 2.86Å; C603-H624 PolarHBondContact SG-CD2 2.87Å; C603-H624 PolarHBondContact SG-NE2 3.26Å
604	S	70.3	Confident	72.9	Confident	119 Å²	119	63 Å²	63	83%	0.832	34%	0.339	S	S	*	.	S	Bend	trans	-80.8	-10.8	175.6	54.1	0	0	0	0	113.8
605	V	63.1	Low	73.3	Confident	96 Å²	96	60 Å²	60	58%	0.582	32%	0.324	S	S	*	.	S	Bend	trans	-113	-21.4	-171.4	-172	0	0	0	0	112.6	C603	C603-V605 VanDerWaalsContact C-N 3.32Å; C603-V605 PolarHBondContact SG-N 3.1Å; C603-V605 VanDerWaalsContact SG-N 3.42Å
606	C	67.5	Low	73.8	Confident	50 Å²	50	57.4 Å²	57.4	34%	0.338	30%	0.3	S	S	.	.	S	Bend	trans	-149.2	177.1	176.4	75.2	0	0	0	0	112	F608 H619	C606-F608 PolarHBondContact O-N 2.97Å; C606-F608 VanDerWaalsContact O-N 3.15Å; C606-F608 VanDerWaalsContact SG-CB 3.6Å; C606-H619 PolarHBondContact SG-CE1 3.12Å; C606-H619 PolarHBondContact SG-NE2 2.98Å
607	R	64.3	Low	74.2	Confident	197 Å²	197	60.7 Å²	60.7	74%	0.743	31%	0.314	S	S	*	.	S	Bend	trans	-74	2.4	-176.6	-56.3	-176	70.2	115.5	-1.7	115	S419 A609	S419-R607 PolarHBondContact OG-NH1 3.07Å; R607-A609 PolarHBondContact O-N 3.11Å
608	F	65.8	Low	74.5	Confident	49 Å²	49	66.2 Å²	66.2	22%	0.215	34%	0.335	C	S	.	.			trans	-67.5	130.1	177.5	-177.6	-94.3	0	0	0	110.5	C603 C606 T610 F616 H619	C603-F608 HydrophobicContact CB-CB 4.35Å; C603-F608 WeakPolarHBondContact CB-O 3.26Å; C603-F608 PolarHBondContact N-O 3.46Å; C606-F608 PolarHBondContact O-N 2.97Å; C606-F608 VanDerWaalsContact O-N 3.15Å; C606-F608 VanDerWaalsContact SG-CB 3.6Å; F608-T610 HydrophobicContact CE1-CG2 3.54Å; F608-T610 HydrophobicContact CZ-CG2 3.91Å; F608-F616 HydrophobicContact CD1-CD2 4.5Å; F608-F616 HydrophobicContact CE1-CD2 4.4Å; F608-H619 HydrophobicContact CD1-CB 3.78Å; F608-H619 AromaticContact CD1-CD2 3.34Å; F608-H619 WeakPolarHBondContact CD1-CD2 3.48Å; F608-H619 AromaticContact CD1-CG 3.26Å; F608-H619 AromaticContact CD1-ND1 3.72Å; F608-H619 AromaticContact CD1-NE2 3.87Å; F608-H619 HydrophobicContact CE1-CB 3.55Å; F608-H619 AromaticContact CE1-CD2 3.96Å; F608-H619 AromaticContact CE1-CG 3.61Å; F608-H619 HydrophobicContact CE2-CB 4.47Å; F608-H619 HydrophobicContact CG-CB 4.34Å; F608-H619 AromaticContact CG-CD2 3.89Å; F608-H619 AromaticContact CG-CE1 3.81Å; F608-H619 AromaticContact CG-CG 3.61Å; F608-H619 AromaticContact CG-ND1 3.54Å; F608-H619 HydrophobicContact CZ-CB 3.94Å
609	A	70.2	Confident	75	Confident	39 Å²	39	65.6 Å²	65.6	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.9	170.6	0	0	0	0	0	109.2	Y600 L601 P602 R607	Y600-A609 HydrophobicContact CE2-CB 3.79Å; Y600-A609 WeakPolarHBondContact OH-CB 3.37Å; L601-A609 WeakPolarHBondContact O-CA 3.4Å; P602-A609 HydrophobicContact CB-CB 4.2Å; R607-A609 PolarHBondContact O-N 3.11Å
610	T	77.2	Confident	75.5	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.067	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.8	-179.5	-179	0	0	0	0	110.8	E587 L601 F608 C612 F616	E587-T610 PolarHBondContact OE1-OG1 2.95Å; E587-T610 VanDerWaalsContact OE2-CB 3.3Å; E587-T610 WeakPolarHBondContact OE2-CB 3.47Å; E587-T610 PolarHBondContact OE2-OG1 2.9Å; L601-T610 HydrophobicContact CB-CG2 4.47Å; L601-T610 WeakPolarHBondContact CB-O 3.15Å; L601-T610 PolarHBondContact N-O 2.95Å; L601-T610 PolarHBondContact O-N 2.93Å; L601-T610 VanDerWaalsContact O-N 3.14Å; F608-T610 HydrophobicContact CE1-CG2 3.54Å; F608-T610 HydrophobicContact CZ-CG2 3.91Å; T610-C612 VanDerWaalsContact CG2-O 3.3Å; T610-C612 WeakPolarHBondContact CG2-O 3.42Å; T610-C612 PolarHBondContact OG1-N 3.31Å; T610-F616 HydrophobicContact CG2-CB 3.68Å; T610-F616 HydrophobicContact CG2-CD2 4.31Å
611	C	78.4	Confident	75.7	Confident	36 Å²	36	65.6 Å²	65.6	24%	0.243	33%	0.329	C	S	.	.	S	Bend	trans	-83.8	-22.3	163.5	53.4	0	0	0	0	112.3	H597 Q599	H597-C611 WeakPolarHBondContact CA-O 3.47Å; Q599-C611 CarbonylContact O-C 3.57Å; Q599-C611 VanDerWaalsContact O-CA 3.31Å; Q599-C611 WeakPolarHBondContact O-CA 3.35Å
612	C	80.6	Confident	75.4	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.349	C	S	.	.			trans	-86.7	117.1	-171.4	-173.8	0	0	0	0	112.7	C585 E587 H597 T610 V614 G615 F616	C585-C612 VanDerWaalsContact SG-CB 3.59Å; E587-C612 HydrophobicContact CB-CB 4.03Å; E587-C612 WeakPolarHBondContact OE2-CB 3.48Å; H597-C612 PolarHBondContact NE2-SG 3.39Å; T610-C612 VanDerWaalsContact CG2-O 3.3Å; T610-C612 WeakPolarHBondContact CG2-O 3.42Å; T610-C612 PolarHBondContact OG1-N 3.31Å; C612-V614 VanDerWaalsContact C-N 3.28Å; C612-V614 PolarHBondContact O-N 3.34Å; C612-G615 PolarHBondContact O-N 3.37Å; C612-G615 PolarHBondContact SG-N 2.88Å; C612-G615 VanDerWaalsContact SG-N 3.43Å; C612-F616 WeakPolarHBondContact O-CB 3.38Å; C612-F616 PolarHBondContact O-N 2.89Å
613	R	82.5	Confident	75.3	Confident	159 Å²	159	72.9 Å²	72.9	60%	0.6	36%	0.36	S	S	*	.	H	α-helix	trans	-58.4	-37.5	175.1	-165.5	177.1	-168.6	176.5	5.4	113.6	D596 L601 Q617	D596-R613 HydrophobicContact CB-CB 4.4Å; D596-R613 WeakPolarHBondContact O-CB 3.48Å; D596-R613 PolarHBondContact O-N 3.15Å; L601-R613 HydrophobicContact CD1-CB 4.11Å; L601-R613 HydrophobicContact CD1-CG 4.36Å; R613-Q617 WeakPolarHBondContact O-CB 3.43Å; R613-Q617 PolarHBondContact O-N 3.19Å
614	V	81.9	Confident	75.2	Confident	49 Å²	49	74.6 Å²	74.6	30%	0.297	37%	0.367	S	S	.	.	H	α-helix	trans	-71	-42.4	179.8	-178.7	0	0	0	0	111.1	C588 C612 Q617 R618	C588-V614 HydrophobicContact CB-CB 3.91Å; C588-V614 HydrophobicContact CB-CG1 4.15Å; C588-V614 HydrophobicContact CB-CG2 4.33Å; C612-V614 VanDerWaalsContact C-N 3.28Å; C612-V614 PolarHBondContact O-N 3.34Å; V614-Q617 PolarHBondContact O-N 3.07Å; V614-R618 WeakPolarHBondContact O-CB 3.34Å; V614-R618 PolarHBondContact O-N 3.05Å
615	G	81.4	Confident	74.9	Confident	6 Å²	6	72.7 Å²	72.7	6%	0.062	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-41.4	175.6	0	0	0	0	0	112.4	E587 C612 Q617 R618 H619	E587-G615 WeakPolarHBondContact OE2-CA 3.48Å; C612-G615 PolarHBondContact O-N 3.37Å; C612-G615 PolarHBondContact SG-N 2.88Å; C612-G615 VanDerWaalsContact SG-N 3.43Å; G615-Q617 PolarHBondContact O-N 3.17Å; G615-R618 PolarHBondContact O-N 2.88Å; G615-H619 WeakPolarHBondContact O-CB 3.49Å; G615-H619 PolarHBondContact O-N 2.91Å
616	F	83.3	Confident	73.9	Confident	49 Å²	49	77 Å²	77	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-58.3	-45.4	172.8	-173.2	-98.8	0	0	0	112.5	L601 C603 F608 T610 C612 H619 F620	L601-F616 HydrophobicContact CB-CB 4.18Å; L601-F616 HydrophobicContact CB-CD2 3.72Å; L601-F616 HydrophobicContact CB-CE2 4.25Å; L601-F616 HydrophobicContact CB-CG 3.88Å; L601-F616 HydrophobicContact CD1-CB 3.88Å; L601-F616 HydrophobicContact CD1-CG 4.2Å; L601-F616 WeakPolarHBondContact O-CD2 3.15Å; C603-F616 HydrophobicContact CB-CE2 4.17Å; F608-F616 HydrophobicContact CD1-CD2 4.5Å; F608-F616 HydrophobicContact CE1-CD2 4.4Å; T610-F616 HydrophobicContact CG2-CB 3.68Å; T610-F616 HydrophobicContact CG2-CD2 4.31Å; C612-F616 WeakPolarHBondContact O-CB 3.38Å; C612-F616 PolarHBondContact O-N 2.89Å; F616-H619 WeakPolarHBondContact O-CB 3.16Å; F616-H619 PolarHBondContact O-N 3.08Å; F616-F620 WeakPolarHBondContact O-CB 3.45Å; F616-F620 PolarHBondContact O-N 3.46Å
617	Q	81.4	Confident	72.5	Confident	108 Å²	108	79.3 Å²	79.3	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-41.2	177.3	-174.7	174.3	-13.3	0	0	111.9	R613 V614 G615 F620 Q621	R613-Q617 WeakPolarHBondContact O-CB 3.43Å; R613-Q617 PolarHBondContact O-N 3.19Å; V614-Q617 PolarHBondContact O-N 3.07Å; G615-Q617 PolarHBondContact O-N 3.17Å; Q617-F620 PolarHBondContact O-N 3.13Å; Q617-Q621 HydrophobicContact CG-CG 4.4Å; Q617-Q621 WeakPolarHBondContact O-CB 3.23Å; Q617-Q621 VanDerWaalsContact O-CG 3.28Å; Q617-Q621 WeakPolarHBondContact O-CG 3.48Å; Q617-Q621 PolarHBondContact O-N 3.32Å
618	R	81.3	Confident	70.9	Confident	122 Å²	122	77.1 Å²	77.1	46%	0.46	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-41.4	176.2	-169.5	-174.9	-67.3	128.9	-5.4	111.7	E587 V614 G615 K622	E587-R618 PolarHBondContact O-NH1 3.39Å; V614-R618 WeakPolarHBondContact O-CB 3.34Å; V614-R618 PolarHBondContact O-N 3.05Å; G615-R618 PolarHBondContact O-N 2.88Å; R618-K622 HydrophobicContact CG-CD 4.48Å; R618-K622 WeakPolarHBondContact O-CB 3.5Å; R618-K622 PolarHBondContact O-N 3.44Å
619	H	79.8	Confident	69.4	Low	16 Å²	16	79 Å²	79	7%	0.074	40%	0.402	C	S	.	.	H	α-helix	trans	-58.1	-54.5	173.4	162.4	68.8	0	0	0	111.2	C603 C606 F608 G615 F616 Q621 K622 L623 H624	C603-H619 PolarHBondContact SG-NE2 2.86Å; C606-H619 PolarHBondContact SG-CE1 3.12Å; C606-H619 PolarHBondContact SG-NE2 2.98Å; F608-H619 HydrophobicContact CD1-CB 3.78Å; F608-H619 AromaticContact CD1-CD2 3.34Å; F608-H619 WeakPolarHBondContact CD1-CD2 3.48Å; F608-H619 AromaticContact CD1-CG 3.26Å; F608-H619 AromaticContact CD1-ND1 3.72Å; F608-H619 AromaticContact CD1-NE2 3.87Å; F608-H619 HydrophobicContact CE1-CB 3.55Å; F608-H619 AromaticContact CE1-CD2 3.96Å; F608-H619 AromaticContact CE1-CG 3.61Å; F608-H619 HydrophobicContact CE2-CB 4.47Å; F608-H619 HydrophobicContact CG-CB 4.34Å; F608-H619 AromaticContact CG-CD2 3.89Å; F608-H619 AromaticContact CG-CE1 3.81Å; F608-H619 AromaticContact CG-CG 3.61Å; F608-H619 AromaticContact CG-ND1 3.54Å; F608-H619 HydrophobicContact CZ-CB 3.94Å; G615-H619 WeakPolarHBondContact O-CB 3.49Å; G615-H619 PolarHBondContact O-N 2.91Å; F616-H619 WeakPolarHBondContact O-CB 3.16Å; F616-H619 PolarHBondContact O-N 3.08Å; H619-Q621 PolarHBondContact O-N 3.26Å; H619-K622 PolarHBondContact O-N 3.49Å; H619-L623 PolarHBondContact O-N 2.78Å; H619-H624 AromaticContact CE1-NE2 3.54Å; H619-H624 AromaticContact NE2-CD2 3.51Å; H619-H624 AromaticContact NE2-NE2 3.29Å; H619-H624 PolarHBondContact NE2-NE2 3.22Å
620	F	78.9	Confident	67.7	Low	88 Å²	88	82.1 Å²	82.1	39%	0.386	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-46	-179.2	-174	-96.6	0	0	0	111.8	F616 Q617 H624 V625	F616-F620 WeakPolarHBondContact O-CB 3.45Å; F616-F620 PolarHBondContact O-N 3.46Å; Q617-F620 PolarHBondContact O-N 3.13Å; F620-H624 HydrophobicContact CD2-CB 4.07Å; F620-H624 HydrophobicContact CE2-CB 4.17Å; F620-H624 WeakPolarHBondContact O-CA 3.44Å; F620-H624 WeakPolarHBondContact O-CB 3.39Å; F620-H624 PolarHBondContact O-N 2.97Å; F620-V625 HydrophobicContact CD1-CG2 3.72Å; F620-V625 HydrophobicContact CE1-CG2 3.58Å; F620-V625 HydrophobicContact CZ-CG2 4.46Å; F620-V625 PolarHBondContact O-N 3.48Å
621	Q	78.1	Confident	65.7	Low	102 Å²	102	91 Å²	91	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-64.4	-41.3	178.9	-74.4	178.6	-16	0	0	113.2	Q617 H619	Q617-Q621 HydrophobicContact CG-CG 4.4Å; Q617-Q621 WeakPolarHBondContact O-CB 3.23Å; Q617-Q621 VanDerWaalsContact O-CG 3.28Å; Q617-Q621 WeakPolarHBondContact O-CG 3.48Å; Q617-Q621 PolarHBondContact O-N 3.32Å; H619-Q621 PolarHBondContact O-N 3.26Å
622	K	70.5	Confident	63.6	Low	121 Å²	121	95 Å²	95	53%	0.526	49%	0.49	S	S	.	.	H	α-helix	trans	-78.9	-32.6	-178.4	-74.9	-165.3	171.7	-164.9	0	114.1	R618 H619 C637	R618-K622 HydrophobicContact CG-CD 4.48Å; R618-K622 WeakPolarHBondContact O-CB 3.5Å; R618-K622 PolarHBondContact O-N 3.44Å; H619-K622 PolarHBondContact O-N 3.49Å; K622-C637 PolarHBondContact NZ-SG 2.59Å; K622-C637 VanDerWaalsContact NZ-SG 3.37Å
623	L	71.5	Confident	61.3	Low	99 Å²	99	101 Å²	101	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-112	-15.5	-171	-61.8	-177.3	0	0	0	115.2	H619	H619-L623 PolarHBondContact O-N 2.78Å
624	H	71.6	Confident	58.9	Low	51 Å²	51	100.4 Å²	100.4	24%	0.236	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-12	-175.3	-60.4	-40.7	0	0	0	114.7	C603 H619 F620	C603-H624 PolarHBondContact SG-CD2 2.87Å; C603-H624 PolarHBondContact SG-NE2 3.26Å; H619-H624 AromaticContact CE1-NE2 3.54Å; H619-H624 AromaticContact NE2-CD2 3.51Å; H619-H624 AromaticContact NE2-NE2 3.29Å; H619-H624 PolarHBondContact NE2-NE2 3.22Å; F620-H624 HydrophobicContact CD2-CB 4.07Å; F620-H624 HydrophobicContact CE2-CB 4.17Å; F620-H624 WeakPolarHBondContact O-CA 3.44Å; F620-H624 WeakPolarHBondContact O-CB 3.39Å; F620-H624 PolarHBondContact O-N 2.97Å
625	V	62.9	Low	56.8	Low	79 Å²	79	105.5 Å²	105.5	48%	0.479	56%	0.561	S	S	.	*	S	Bend	trans	-96	-20.6	175.5	178.9	0	0	0	0	112.8	F620	F620-V625 HydrophobicContact CD1-CG2 3.72Å; F620-V625 HydrophobicContact CE1-CG2 3.58Å; F620-V625 HydrophobicContact CZ-CG2 4.46Å; F620-V625 PolarHBondContact O-N 3.48Å
626	Y	43.4	Very low	54.4	Low	185 Å²	185	113 Å²	113	73%	0.725	60%	0.599	S	S	*	*			trans	-130	97.4	176.9	-74.9	-87.6	0	0	0	111.2
627	S	38	Very low	51.9	Low	99 Å²	99	115.2 Å²	115.2	69%	0.692	62%	0.62	S	S	*	*			trans	-124.7	14.3	171.1	-57.1	0	0	0	0	113.6
628	N	31.2	Very low	49.6	Very low	151 Å²	151	113.4 Å²	113.4	81%	0.807	63%	0.63	S	S	*	*	S	Bend	trans	-119	142.3	173.8	-74.5	-8.3	0	0	0	110.8
629	A	33	Very low	47.2	Very low	90 Å²	90	115.9 Å²	115.9	74%	0.744	65%	0.649	S	S	*	*			trans	71.3	96.7	169.4	0	0	0	0	0	118.6
630	S	34.5	Very low	44.9	Very low	104 Å²	104	119.6 Å²	119.6	73%	0.727	68%	0.675	S	S	*	*				35.4	126.5	124.7	60	0	0	0	0	121.4
631	Q	35.3	Very low	42.4	Very low	196 Å²	196	123 Å²	123	92%	0.916	69%	0.693	S	S	*	*			trans	66.6	97.1	152.5	-61.8	178.4	2.9	0	0	118.7
632	S	33.7	Very low	40.1	Very low	121 Å²	121	124.7 Å²	124.7	85%	0.846	71%	0.711	S	S	*	*			trans	-147.3	113.2	134.6	68.1	0	0	0	0	110.1
633	T	33	Very low	38	Very low	125 Å²	125	127.6 Å²	127.6	77%	0.767	72%	0.718	S	S	*	*			trans	-69.7	163.8	162.8	47.2	0	0	0	0	110.5
634	D	32.4	Very low	35.8	Very low	147 Å²	147	130.4 Å²	130.4	79%	0.786	73%	0.729	S	S	*	*			trans	90.5	131.7	170.6	-58.3	-32.4	0	0	0	120
635	L	37.5	Very low	33.5	Very low	157 Å²	157	132.8 Å²	132.8	82%	0.822	75%	0.746	S	S	*	*			trans	67.9	88.1	168.6	-79.1	77.2	0	0	0	120	C637	L635-C637 PolarHBondContact O-N 3.26Å
636	D	31.4	Very low	31.6	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	76%	0.76	S	S	*	*				45.3	69.3	120.7	-153.7	17.3	0	0	0	117.8
637	C	30.3	Very low	30.7	Very low	95 Å²	95	136 Å²	136	64%	0.642	76%	0.758	S	S	*	*			trans	-123.3	100.8	161	-91.1	0	0	0	0	108.7	K622 L635	K622-C637 PolarHBondContact NZ-SG 2.59Å; K622-C637 VanDerWaalsContact NZ-SG 3.37Å; L635-C637 PolarHBondContact O-N 3.26Å
638	G	34	Very low	30.1	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-51.6	137.1	-172.7	0	0	0	0	0	114.7
639	M	29.6	Very low	29.9	Very low	173 Å²	173	140.6 Å²	140.6	85%	0.852	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.1	129.4	165.4	-65.6	-72.9	-83	0	0	108.6	M641	M639-M641 PolarHBondContact O-N 2.93Å; M639-M641 VanDerWaalsContact O-N 3.17Å
640	P	31.8	Very low	29.6	Very low	95 Å²	95	140.9 Å²	140.9	62%	0.617	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.4	119.6	-178.1	26.1	-32.9	0	0	0	110	V642	P640-V642 PolarHBondContact O-N 3.33Å
641	M	26.3	Very low	29.2	Very low	158 Å²	158	143.6 Å²	143.6	78%	0.778	76%	0.762	S	S	*	*			trans	-65.4	103.3	173.2	-69	-175.7	69.4	0	0	109.5	M639 R643 L766	M639-M641 PolarHBondContact O-N 2.93Å; M639-M641 VanDerWaalsContact O-N 3.17Å; M641-R643 VanDerWaalsContact C-N 3.33Å; M641-R643 PolarHBondContact O-N 3.34Å; M641-L766 HydrophobicContact CE-CD1 3.77Å
642	V	30.3	Very low	28.8	Very low	139 Å²	139	142.2 Å²	142.2	84%	0.842	76%	0.756	S	S	*	*			trans	-74.1	87.5	174.2	-176.6	0	0	0	0	108.9	P640	P640-V642 PolarHBondContact O-N 3.33Å
643	R	26.4	Very low	28.5	Very low	181 Å²	181	146.2 Å²	146.2	68%	0.683	75%	0.754	S	S	*	*			trans	-87.7	121.9	169.2	-154.4	174.9	-163.4	166.2	6.2	108.6	M641 V645 L766	M641-R643 VanDerWaalsContact C-N 3.33Å; M641-R643 PolarHBondContact O-N 3.34Å; R643-V645 PolarHBondContact O-N 3.14Å; R643-L766 PolarHBondContact NH2-O 2.87Å
644	Q	24.5	Very low	28.2	Very low	159 Å²	159	146.9 Å²	146.9	74%	0.743	75%	0.753	S	S	*	*			trans	-63.2	117.2	167.7	-75.4	-179.1	-13.5	0	0	108.6	F646	Q644-F646 HydrophobicContact CB-CE2 4.31Å
645	V	24.6	Very low	28	Very low	100 Å²	100	148.2 Å²	148.2	61%	0.606	76%	0.759	S	S	*	*			trans	-99.6	106.1	168.2	-177.4	0	0	0	0	107.1	R643 F647	R643-V645 PolarHBondContact O-N 3.14Å; V645-F647 HydrophobicContact CB-CE2 4.28Å; V645-F647 HydrophobicContact CG1-CD2 4.17Å; V645-F647 HydrophobicContact CG1-CE1 4.27Å; V645-F647 HydrophobicContact CG1-CE2 3.81Å; V645-F647 HydrophobicContact CG1-CZ 3.87Å
646	F	23.5	Very low	27.5	Very low	172 Å²	172	146.4 Å²	146.4	75%	0.754	76%	0.757	S	S	*	*			trans	-75.2	120.9	164.4	-77.7	-96.3	0	0	0	108	Q644	Q644-F646 HydrophobicContact CB-CE2 4.31Å
647	F	24.5	Very low	27.4	Very low	159 Å²	159	145 Å²	145	70%	0.697	76%	0.758	S	S	*	*			trans	-93.5	95.8	165.9	-68.7	-85.2	0	0	0	107.8	V645 W649	V645-F647 HydrophobicContact CB-CE2 4.28Å; V645-F647 HydrophobicContact CG1-CD2 4.17Å; V645-F647 HydrophobicContact CG1-CE1 4.27Å; V645-F647 HydrophobicContact CG1-CE2 3.81Å; V645-F647 HydrophobicContact CG1-CZ 3.87Å; F647-W649 PolarHBondContact O-N 2.83Å
648	D	24.1	Very low	27.3	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	77%	0.765	S	S	*	*			trans	-70.5	117.2	162.1	-102.8	-32.8	0	0	0	108.3	C650	D648-C650 PolarHBondContact O-N 3.06Å
649	W	27.6	Very low	26.9	Very low	198 Å²	198	150.2 Å²	150.2	75%	0.75	76%	0.763	S	S	*	*			trans	-87.3	87.1	173.8	-76.2	17.2	0	0	0	108.1	F647 N651	F647-W649 PolarHBondContact O-N 2.83Å; W649-N651 VanDerWaalsContact C-N 3.27Å; W649-N651 PolarHBondContact O-N 2.99Å
650	C	26.9	Very low	26.9	Very low	96 Å²	96	149 Å²	149	65%	0.649	76%	0.76	S	S	*	*			trans	-63.5	84.1	174.5	-62.9	0	0	0	0	111.4	D648 E652	D648-C650 PolarHBondContact O-N 3.06Å; C650-E652 HydrophobicContact CB-CB 4.49Å; C650-E652 HydrophobicContact CB-CG 4.39Å; C650-E652 PolarHBondContact O-N 3.26Å
651	N	24.7	Very low	27	Very low	161 Å²	161	150.8 Å²	150.8	86%	0.861	77%	0.769	S	S	*	*			trans	-76.3	51.5	152.4	-95.4	-9.6	0	0	0	109.6	W649 Y653	W649-N651 VanDerWaalsContact C-N 3.27Å; W649-N651 PolarHBondContact O-N 2.99Å; N651-Y653 PolarHBondContact O-N 2.85Å
652	E	27	Very low	27.1	Very low	168 Å²	168	148.4 Å²	148.4	79%	0.785	77%	0.768	S	S	*	*			trans	-89.4	84.6	171.7	-71.9	-164.3	146	0	0	109.4	C650	C650-E652 HydrophobicContact CB-CB 4.49Å; C650-E652 HydrophobicContact CB-CG 4.39Å; C650-E652 PolarHBondContact O-N 3.26Å
653	Y	28.9	Very low	27.2	Very low	205 Å²	205	149.8 Å²	149.8	80%	0.804	77%	0.766	S	S	*	*			trans	-104	136.8	151.3	-83.3	-82.9	0	0	0	108.8	N651	N651-Y653 PolarHBondContact O-N 2.85Å
654	N	27	Very low	27.3	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	77%	0.771	S	S	*	*			trans	87	86.2	178.2	-46.4	-72	0	0	0	116.7
655	L	27.9	Very low	27.6	Very low	175 Å²	175	144.7 Å²	144.7	92%	0.916	77%	0.767	S	S	*	*				-146.2	140.2	121.6	-97.5	138.5	0	0	0	109.1
656	P	27.1	Very low	27.8	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	78%	0.775	S	S	*	*			trans	-97.6	156.4	-162.7	37.3	-34.4	0	0	0	113.8
657	C	28.7	Very low	28.2	Very low	134 Å²	134	144 Å²	144	91%	0.905	78%	0.777	S	S	*	*			trans	-127.4	148.2	168.6	-88.5	0	0	0	0	112
658	N	28.1	Very low	28.3	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	78%	0.781	S	S	*	*			trans	-63	152.2	-164.7	-79.6	-14.2	0	0	0	116.8
659	D	24.8	Very low	28.7	Very low	129 Å²	129	138 Å²	138	69%	0.69	78%	0.779	S	S	*	*			trans	22.3	118.3	135.2	-51.7	-29.8	0	0	0	118.5
660	N	31.1	Very low	29	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	78%	0.779	S	S	*	*				173.7	147.7	100	-88.9	-64	0	0	0	112.6
661	T	31.9	Very low	29.4	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	79%	0.785	S	S	*	*			trans	61.7	113.4	168	53.7	0	0	0	0	118.1
662	S	30.1	Very low	29.7	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	77%	0.774	S	S	*	*				62.3	124.6	82.1	-112.3	0	0	0	0	113
663	E	31.4	Very low	29.7	Very low	168 Å²	168	137.1 Å²	137.1	79%	0.785	77%	0.768	S	S	*	*			cis	-151.3	165.7	25.3	-74.7	-175	114.3	0	0	114
664	L	29.6	Very low	29.9	Very low	152 Å²	152	135.2 Å²	135.2	80%	0.796	77%	0.766	S	S	*	*			trans	42.4	113.7	153	-86.8	65	0	0	0	120.2
665	A	30.9	Very low	29.9	Very low	80 Å²	80	134.5 Å²	134.5	66%	0.661	77%	0.766	S	S	*	*				91.5	101	63	0	0	0	0	0	114.2
666	T	27	Very low	30	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	76%	0.761	S	S	*	*				99.6	155.2	85.5	-40.9	0	0	0	0	113.1
667	V	32	Very low	30	Very low	132 Å²	132	133.8 Å²	133.8	80%	0.8	76%	0.762	S	S	*	*			trans	85.2	129.9	168.6	-165.9	0	0	0	0	115.1
668	S	27	Very low	30.1	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	76%	0.757	S	S	*	*			cis	154.5	138.3	-24.3	-85.6	0	0	0	0	107.5
669	G	32.9	Very low	30.1	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	76%	0.756	S	S	*	*			trans	94.4	156.9	168.2	0	0	0	0	0	115.6
670	D	33.9	Very low	30.5	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	76%	0.76	S	S	*	*			cis	-160.6	146.8	-13.5	-139.9	-25.3	0	0	0	110.2
671	R	34.4	Very low	30.5	Very low	201 Å²	201	135 Å²	135	76%	0.758	76%	0.757	S	S	*	*			trans	27.5	125.6	153.4	-78.7	175.9	138.8	112.8	3.8	124.3
672	Q	32.4	Very low	30.4	Very low	138 Å²	138	135.3 Å²	135.3	65%	0.645	75%	0.752	S	S	*	*				96.4	112.7	119.3	-71.1	-177.4	-92.2	0	0	123.6
673	D	27.4	Very low	30.4	Very low	121 Å²	121	136.4 Å²	136.4	65%	0.647	76%	0.755	S	S	*	*				76.8	141	119	-58.7	-25.6	0	0	0	124.4
674	H	31.8	Very low	30.6	Very low	165 Å²	165	134 Å²	134	76%	0.764	75%	0.753	S	S	*	*			trans	85.2	98.6	151.1	-75.7	-58.3	0	0	0	122.5
675	V	27.2	Very low	30.5	Very low	123 Å²	123	131.9 Å²	131.9	75%	0.745	75%	0.752	S	S	*	*				54.5	122.5	113.7	178.5	0	0	0	0	119.1
676	V	30.8	Very low	30.6	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	75%	0.754	S	S	*	*				-171.8	156.7	118	150.2	0	0	0	0	109.4
677	N	26.4	Very low	30.8	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	76%	0.759	S	S	*	*			trans	-81	-171.2	-175.8	-64.7	-37.1	0	0	0	114.8
678	E	30.7	Very low	30.6	Very low	174 Å²	174	134.6 Å²	134.6	81%	0.813	76%	0.755	S	S	*	*			trans	98.8	104.3	166.7	-55.9	-174.8	153	0	0	113.6
679	I	28.4	Very low	31	Very low	148 Å²	148	137.2 Å²	137.2	76%	0.759	76%	0.76	S	S	*	*				77	141.8	62.3	-59.3	165.1	0	0	0	112.1
680	T	34.1	Very low	30.7	Very low	125 Å²	125	142.6 Å²	142.6	77%	0.767	76%	0.763	S	S	*	*			trans	79.3	154	-179.3	74	0	0	0	0	116.6
681	D	30.6	Very low	30.5	Very low	136 Å²	136	142.2 Å²	142.2	73%	0.727	77%	0.766	S	S	*	*			cis	-165.3	149	-46.7	-114.8	-35.5	0	0	0	109.7
682	L	29.5	Very low	30.3	Very low	137 Å²	137	137.8 Å²	137.8	72%	0.717	76%	0.761	S	S	*	*			trans	58.2	106.1	148.5	-60.3	169.8	0	0	0	122.5
683	T	30.4	Very low	30.2	Very low	132 Å²	132	136.2 Å²	136.2	81%	0.81	76%	0.761	S	S	*	*				83.2	151.6	126.3	58.8	0	0	0	0	122.7
684	P	34.6	Very low	30.5	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	76%	0.763	S	S	*	*			trans	-114.8	165.2	-159.8	42.1	-31.2	0	0	0	115.5
685	S	28.9	Very low	30.5	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	77%	0.765	S	S	*	*			trans	-158	153.2	160.2	-26	0	0	0	0	112.4
686	D	32.1	Very low	30.9	Very low	133 Å²	133	136.2 Å²	136.2	71%	0.711	76%	0.762	S	S	*	*			trans	73.2	105.8	145.5	-65	-9	0	0	0	123.1
687	M	31.8	Very low	31.3	Very low	174 Å²	174	134.8 Å²	134.8	86%	0.857	75%	0.75	S	S	*	*				92.6	130.4	123.1	-66	-173.8	-166.7	0	0	120.8
688	A	28.2	Very low	32.2	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	76%	0.759	S	S	*	*			trans	-74.8	155.1	169	0	0	0	0	0	112.1
689	N	33.7	Very low	32.8	Very low	166 Å²	166	137 Å²	137	89%	0.888	76%	0.757	S	S	*	*			trans	-164.1	149.9	134.4	-101.8	-37.1	0	0	0	113.4
690	F	26.9	Very low	33.2	Very low	186 Å²	186	132.6 Å²	132.6	82%	0.816	75%	0.749	S	S	*	*			trans	-59.4	150.6	172.6	-99.2	-117	0	0	0	112.8
691	T	30	Very low	33.4	Very low	135 Å²	135	133.9 Å²	133.9	83%	0.828	75%	0.745	S	S	*	*			trans	-148.3	115.4	142.2	-55.1	0	0	0	0	110.7
692	T	30	Very low	33.7	Very low	108 Å²	108	133.7 Å²	133.7	66%	0.663	75%	0.749	S	S	*	*			trans	-74.6	136	170.8	-56.8	0	0	0	0	110.2
693	V	30.6	Very low	34	Very low	104 Å²	104	133.1 Å²	133.1	63%	0.63	75%	0.751	S	S	*	*			trans	-104.6	118.7	169.9	-170.6	0	0	0	0	109.3	F695	V693-F695 HydrophobicContact CB-CE2 4.24Å; V693-F695 HydrophobicContact CG1-CD2 4.19Å; V693-F695 HydrophobicContact CG1-CE1 4.27Å; V693-F695 HydrophobicContact CG1-CE2 3.51Å; V693-F695 HydrophobicContact CG1-CZ 3.56Å
694	V	34.1	Very low	34.1	Very low	114 Å²	114	133.3 Å²	133.3	69%	0.691	75%	0.747	S	S	*	*			trans	-92.7	132	174.1	175.7	0	0	0	0	108.3
695	F	31.2	Very low	33.9	Very low	186 Å²	186	133.9 Å²	133.9	82%	0.816	75%	0.748	S	S	*	*			trans	-111.4	125.6	166.9	-69.1	-77	0	0	0	109.9	V693	V693-F695 HydrophobicContact CB-CE2 4.24Å; V693-F695 HydrophobicContact CG1-CD2 4.19Å; V693-F695 HydrophobicContact CG1-CE1 4.27Å; V693-F695 HydrophobicContact CG1-CE2 3.51Å; V693-F695 HydrophobicContact CG1-CZ 3.56Å
696	T	35.5	Very low	34	Very low	109 Å²	109	133.3 Å²	133.3	67%	0.669	74%	0.742	S	S	*	*			trans	-93.2	151.4	171.8	41.7	0	0	0	0	108.8
697	D	39.7	Very low	33.7	Very low	104 Å²	104	135 Å²	135	56%	0.556	75%	0.745	S	S	*	*			trans	-78.5	168.9	168.7	72.7	2.8	0	0	0	111.4	M699 G700	D697-M699 PolarHBondContact O-N 3.25Å; D697-M699 PolarHBondContact OD1-N 3.03Å; D697-M699 VanDerWaalsContact OD1-N 3.1Å; D697-G700 PolarHBondContact O-N 3.47Å; D697-G700 PolarHBondContact OD1-N 3.38Å
698	E	44.5	Very low	33.5	Very low	208 Å²	208	132.2 Å²	132.2	97%	0.972	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	12.5	179.5	-59.7	-169.7	136.9	0	0	113.8
699	M	43.6	Very low	33.5	Very low	159 Å²	159	136 Å²	136	78%	0.783	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	2.5	173.7	-65.4	-161.3	-175.1	0	0	114.6	D697 H701	D697-M699 PolarHBondContact O-N 3.25Å; D697-M699 PolarHBondContact OD1-N 3.03Å; D697-M699 VanDerWaalsContact OD1-N 3.1Å; M699-H701 PolarHBondContact O-N 3.35Å; M699-H701 PolarHBondContact O-ND1 3.28Å
700	G	37.9	Very low	33.4	Very low	56 Å²	56	137 Å²	137	58%	0.577	74%	0.738	S	S	*	*			trans	65.6	27.9	156.4	0	0	0	0	0	116.2	D697	D697-G700 PolarHBondContact O-N 3.47Å; D697-G700 PolarHBondContact OD1-N 3.38Å
701	H	38	Very low	33.4	Very low	151 Å²	151	136.6 Å²	136.6	70%	0.699	74%	0.738	S	S	*	*			trans	-110.2	108.5	178.4	-79.4	80.9	0	0	0	112.5	M699 V703	M699-H701 PolarHBondContact O-N 3.35Å; M699-H701 PolarHBondContact O-ND1 3.28Å; H701-V703 HydrophobicContact CB-CG2 4.23Å; H701-V703 PolarHBondContact O-N 3.25Å
702	V	36.5	Very low	33.1	Very low	132 Å²	132	135.3 Å²	135.3	80%	0.8	73%	0.734	S	S	*	*			trans	-78	108.7	167.5	-178.9	0	0	0	0	108.4
703	V	36.2	Very low	32.9	Very low	126 Å²	126	138.3 Å²	138.3	76%	0.764	75%	0.745	S	S	*	*			trans	-122.1	136.7	177.8	-173.3	0	0	0	0	109.9	H701	H701-V703 HydrophobicContact CB-CG2 4.23Å; H701-V703 PolarHBondContact O-N 3.25Å
704	N	32.1	Very low	32.7	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	76%	0.756	S	S	*	*			trans	-117.5	136.2	-169.1	-113.4	-27.3	0	0	0	110.1
705	V	30.1	Very low	32.4	Very low	128 Å²	128	144.5 Å²	144.5	78%	0.776	76%	0.763	S	S	*	*			trans	71.3	153.3	146.5	-179.4	0	0	0	0	115.6
706	P	31.5	Very low	32.2	Very low	98 Å²	98	144.2 Å²	144.2	64%	0.636	77%	0.765	S	S	*	*			cis	-131.8	-176.5	-28	37.6	-19.4	0	0	0	115.4
707	E	25.2	Very low	31.9	Very low	168 Å²	168	144.6 Å²	144.6	79%	0.785	77%	0.769	S	S	*	*			trans	69.1	127.7	137.3	-83.8	165.8	-164.1	0	0	125.2
708	T	28.1	Very low	31.4	Very low	115 Å²	115	146.1 Å²	146.1	71%	0.706	78%	0.777	S	S	*	*			trans	81.9	113.9	142.2	57.6	0	0	0	0	122.9
709	E	28.3	Very low	30.8	Very low	168 Å²	168	140.2 Å²	140.2	79%	0.785	76%	0.758	S	S	*	*			trans	56.7	105.2	132.2	-59	-175.9	-179.8	0	0	120.2
710	K	31.2	Very low	30.4	Very low	187 Å²	187	138.1 Å²	138.1	81%	0.813	75%	0.751	S	S	*	*				-172.8	114.6	103.5	-101.3	159.3	-173.8	167.9	0	115
711	H	26.6	Very low	30.3	Very low	177 Å²	177	139.5 Å²	139.5	82%	0.819	75%	0.745	S	S	*	*			trans	58.7	139.4	136.6	-80.5	-115.6	0	0	0	122.2
712	S	24.5	Very low	30.1	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	74%	0.735	S	S	*	*			trans	58.9	90.2	155.2	57.2	0	0	0	0	117.2
713	L	26.6	Very low	30	Very low	172 Å²	172	132.8 Å²	132.8	90%	0.901	72%	0.717	S	S	*	*				-154.1	155.6	115.3	-99.9	153.3	0	0	0	108.9	E715	L713-E715 PolarHBondContact O-N 3.23Å
714	I	25.9	Very low	30.2	Very low	165 Å²	165	130.3 Å²	130.3	85%	0.846	70%	0.703	S	S	*	*			trans	-79.3	101.3	-171.3	-65.4	160.5	0	0	0	108.4
715	E	27.7	Very low	30.4	Very low	183 Å²	183	131.2 Å²	131.2	86%	0.855	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-74.8	135.5	171	-70.6	-171.9	149.7	0	0	110.4	L713	L713-E715 PolarHBondContact O-N 3.23Å
716	Q	27.1	Very low	30.5	Very low	180 Å²	180	130.8 Å²	130.8	84%	0.841	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-74.3	126.2	-175.3	-64.7	169.9	-19.9	0	0	109.6	N718	Q716-N718 PolarHBondContact O-N 3.4Å
717	P	29.3	Very low	30.5	Very low	116 Å²	116	131.6 Å²	131.6	75%	0.753	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-68.5	126.8	172.1	28.4	-32.1	0	0	0	109.1	S719	P717-S719 PolarHBondContact O-N 2.93Å; P717-S719 VanDerWaalsContact O-N 3.16Å
718	N	29.7	Very low	31.1	Very low	137 Å²	137	129.4 Å²	129.4	73%	0.733	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-53.5	120.8	176.2	-75.8	-39.8	0	0	0	110.2	Q716 N720 D721	Q716-N718 PolarHBondContact O-N 3.4Å; N718-N720 PolarHBondContact O-N 2.89Å; N718-D721 PolarHBondContact O-N 3.42Å; N718-D721 VanDerWaalsContact O-N 3.14Å
719	S	31.2	Very low	31.4	Very low	83 Å²	83	129.6 Å²	129.6	58%	0.58	66%	0.664	S	S	*	*	H	α-helix	trans	-53.8	-24.3	-170.5	53.1	0	0	0	0	115.2	P717 S722 V723	P717-S719 PolarHBondContact O-N 2.93Å; P717-S719 VanDerWaalsContact O-N 3.16Å; S719-S722 PolarHBondContact O-OG 3.01Å; S719-V723 WeakPolarHBondContact O-CG2 3.33Å
720	N	35.3	Very low	31.9	Very low	116 Å²	116	126.3 Å²	126.3	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-79.4	-36.4	-174.8	-62	0.7	0	0	0	112	N718 S722 V723 T724	N718-N720 PolarHBondContact O-N 2.89Å; N720-S722 VanDerWaalsContact C-N 3.33Å; N720-S722 PolarHBondContact O-N 2.92Å; N720-V723 PolarHBondContact O-N 3.04Å; N720-T724 PolarHBondContact O-N 2.93Å; N720-T724 PolarHBondContact O-OG1 3.37Å; N720-T724 VanDerWaalsContact O-OG1 3.08Å
721	D	35.4	Very low	32.2	Very low	84 Å²	84	123.7 Å²	123.7	45%	0.449	64%	0.643	S	S	.	*	H	α-helix	trans	-70.7	-32	-176.2	-163.4	60	0	0	0	111.9	N718 V723 R725	N718-D721 PolarHBondContact O-N 3.42Å; N718-D721 VanDerWaalsContact O-N 3.14Å; D721-V723 VanDerWaalsContact C-N 3.33Å; D721-R725 WeakPolarHBondContact O-CB 3.32Å; D721-R725 PolarHBondContact O-N 3.25Å; D721-R725 IonicContact OD2-CZ 3.77Å; D721-R725 IonicContact OD2-NE 3.35Å; D721-R725 IonicContact OD2-NH2 2.71Å; D721-R725 PolarHBondContact OD2-NH2 3.15Å
722	S	33	Very low	32.5	Very low	70 Å²	70	120.8 Å²	120.8	49%	0.49	63%	0.633	S	S	.	*	H	α-helix	trans	-64.3	-34.8	168.4	39.4	0	0	0	0	113	S719 N720 Y726	S719-S722 PolarHBondContact O-OG 3.01Å; N720-S722 VanDerWaalsContact C-N 3.33Å; N720-S722 PolarHBondContact O-N 2.92Å; S722-Y726 WeakPolarHBondContact O-CB 3.29Å; S722-Y726 PolarHBondContact O-N 3.46Å
723	V	34.4	Very low	33.2	Very low	72 Å²	72	118.5 Å²	118.5	44%	0.436	62%	0.617	S	S	.	*	H	α-helix	trans	-75.5	-40	177.5	176	0	0	0	0	110.6	S719 N720 D721 Y726 M727	S719-V723 WeakPolarHBondContact O-CG2 3.33Å; N720-V723 PolarHBondContact O-N 3.04Å; D721-V723 VanDerWaalsContact C-N 3.33Å; V723-Y726 PolarHBondContact O-N 3.33Å; V723-M727 HydrophobicContact CG1-CE 4.11Å; V723-M727 HydrophobicContact CG1-CG 4.42Å; V723-M727 HydrophobicContact CG1-SD 4.19Å; V723-M727 WeakPolarHBondContact O-CB 3.19Å; V723-M727 WeakPolarHBondContact O-CG 3.47Å; V723-M727 PolarHBondContact O-N 3.02Å
724	T	40.3	Very low	33.9	Very low	74 Å²	74	119.3 Å²	119.3	45%	0.454	61%	0.608	S	S	.	*	H	α-helix	trans	-63.5	-48.1	175.4	-45.3	0	0	0	0	111.1	N720 Y726 M727 E728	N720-T724 PolarHBondContact O-N 2.93Å; N720-T724 PolarHBondContact O-OG1 3.37Å; N720-T724 VanDerWaalsContact O-OG1 3.08Å; T724-Y726 VanDerWaalsContact C-N 3.3Å; T724-Y726 PolarHBondContact O-N 2.97Å; T724-M727 PolarHBondContact O-N 2.84Å; T724-M727 VanDerWaalsContact O-N 3.15Å; T724-E728 WeakPolarHBondContact O-CG 3.4Å; T724-E728 PolarHBondContact O-N 2.71Å
725	R	36.6	Very low	35.1	Very low	156 Å²	156	116.3 Å²	116.3	59%	0.589	59%	0.593	S	S	*	*	H	α-helix	trans	-66.1	-29.9	175.2	-112.2	-179	-76.9	175.8	-7.1	113.6	D721 N729	D721-R725 WeakPolarHBondContact O-CB 3.32Å; D721-R725 PolarHBondContact O-N 3.25Å; D721-R725 IonicContact OD2-CZ 3.77Å; D721-R725 IonicContact OD2-NE 3.35Å; D721-R725 IonicContact OD2-NH2 2.71Å; D721-R725 PolarHBondContact OD2-NH2 3.15Å; R725-N729 WeakPolarHBondContact O-CB 3.43Å; R725-N729 PolarHBondContact O-N 2.89Å
726	Y	33.7	Very low	36.3	Very low	119 Å²	119	110 Å²	110	47%	0.467	57%	0.565	S	S	.	*	H	α-helix	trans	-68.6	-39.9	171.6	179.8	-100.4	0	0	0	111.8	S722 V723 T724 Q730	S722-Y726 WeakPolarHBondContact O-CB 3.29Å; S722-Y726 PolarHBondContact O-N 3.46Å; V723-Y726 PolarHBondContact O-N 3.33Å; T724-Y726 VanDerWaalsContact C-N 3.3Å; T724-Y726 PolarHBondContact O-N 2.97Å; Y726-Q730 HydrophobicContact CE1-CG 4.23Å; Y726-Q730 VanDerWaalsContact CZ-NE2 3.29Å; Y726-Q730 WeakPolarHBondContact O-CB 3.2Å; Y726-Q730 WeakPolarHBondContact O-CG 3.44Å; Y726-Q730 PolarHBondContact O-N 2.98Å; Y726-Q730 PolarHBondContact OH-NE2 3.2Å; Y726-Q730 VanDerWaalsContact OH-NE2 3.07Å
727	M	31.6	Very low	37.9	Very low	115 Å²	115	105.8 Å²	105.8	57%	0.567	54%	0.542	S	S	*	.	H	α-helix	trans	-72.8	-36.3	176.3	-73.5	-174.1	170.8	0	0	112.7	V723 T724 Q730 I731	V723-M727 HydrophobicContact CG1-CE 4.11Å; V723-M727 HydrophobicContact CG1-CG 4.42Å; V723-M727 HydrophobicContact CG1-SD 4.19Å; V723-M727 WeakPolarHBondContact O-CB 3.19Å; V723-M727 WeakPolarHBondContact O-CG 3.47Å; V723-M727 PolarHBondContact O-N 3.02Å; T724-M727 PolarHBondContact O-N 2.84Å; T724-M727 VanDerWaalsContact O-N 3.15Å; M727-Q730 CarbonylContact O-C 3.58Å; M727-Q730 WeakPolarHBondContact O-CA 3.33Å; M727-Q730 WeakPolarHBondContact O-CB 3.32Å; M727-Q730 PolarHBondContact O-N 2.92Å; M727-Q730 VanDerWaalsContact O-N 3.11Å; M727-I731 WeakPolarHBondContact O-CG1 3.49Å; M727-I731 PolarHBondContact O-N 2.78Å; M727-I731 VanDerWaalsContact O-N 3.09Å
728	E	37.5	Very low	39.8	Very low	121 Å²	121	100.3 Å²	100.3	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-44.7	170.9	-72.7	179.4	148.7	0	0	111.2	T724 Q730 I731 D732	T724-E728 WeakPolarHBondContact O-CG 3.4Å; T724-E728 PolarHBondContact O-N 2.71Å; E728-Q730 PolarHBondContact O-N 3.07Å; E728-I731 WeakPolarHBondContact O-CB 3.47Å; E728-I731 PolarHBondContact O-N 2.95Å; E728-D732 PolarHBondContact O-N 3.09Å
729	N	34.5	Very low	41.3	Very low	120 Å²	120	97.7 Å²	97.7	64%	0.642	50%	0.499	S	S	*	.	H	α-helix	trans	-63.1	-28.8	169.4	-89.2	1.4	0	0	0	112.6	R725 I731 D732 S733	R725-N729 WeakPolarHBondContact O-CB 3.43Å; R725-N729 PolarHBondContact O-N 2.89Å; N729-I731 VanDerWaalsContact C-N 3.27Å; N729-I731 PolarHBondContact O-N 2.96Å; N729-D732 CarbonylContact O-C 3.51Å; N729-D732 PolarHBondContact O-N 2.88Å; N729-S733 PolarHBondContact O-N 3.4Å
730	Q	38.6	Very low	42.7	Very low	99 Å²	99	100 Å²	100	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-71.7	-19.7	173.2	-81.4	-154.8	8.9	0	0	113.3	Y726 M727 E728 D732 S733	Y726-Q730 HydrophobicContact CE1-CG 4.23Å; Y726-Q730 VanDerWaalsContact CZ-NE2 3.29Å; Y726-Q730 WeakPolarHBondContact O-CB 3.2Å; Y726-Q730 WeakPolarHBondContact O-CG 3.44Å; Y726-Q730 PolarHBondContact O-N 2.98Å; Y726-Q730 PolarHBondContact OH-NE2 3.2Å; Y726-Q730 VanDerWaalsContact OH-NE2 3.07Å; M727-Q730 CarbonylContact O-C 3.58Å; M727-Q730 WeakPolarHBondContact O-CA 3.33Å; M727-Q730 WeakPolarHBondContact O-CB 3.32Å; M727-Q730 PolarHBondContact O-N 2.92Å; M727-Q730 VanDerWaalsContact O-N 3.11Å; E728-Q730 PolarHBondContact O-N 3.07Å; Q730-D732 VanDerWaalsContact C-N 3.3Å; Q730-S733 VanDerWaalsContact C-OG 3.26Å; Q730-S733 WeakPolarHBondContact CA-OG 3.36Å; Q730-S733 WeakPolarHBondContact O-CB 3.46Å; Q730-S733 PolarHBondContact O-N 2.72Å; Q730-S733 PolarHBondContact O-OG 3.38Å
731	I	36.3	Very low	44.5	Very low	132 Å²	132	97.6 Å²	97.6	68%	0.677	49%	0.492	S	S	*	.	H	α-helix	trans	-76.9	-23.2	172.5	-66.3	162.8	0	0	0	110.9	M727 E728 N729 S733	M727-I731 WeakPolarHBondContact O-CG1 3.49Å; M727-I731 PolarHBondContact O-N 2.78Å; M727-I731 VanDerWaalsContact O-N 3.09Å; E728-I731 WeakPolarHBondContact O-CB 3.47Å; E728-I731 PolarHBondContact O-N 2.95Å; N729-I731 VanDerWaalsContact C-N 3.27Å; N729-I731 PolarHBondContact O-N 2.96Å; I731-S733 VanDerWaalsContact C-N 3.32Å
732	D	34	Very low	45.9	Very low	116 Å²	116	94.8 Å²	94.8	62%	0.62	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	11.7	165.4	-103.5	-7.7	0	0	0	113.8	E728 N729 Q730 R734	E728-D732 PolarHBondContact O-N 3.09Å; N729-D732 CarbonylContact O-C 3.51Å; N729-D732 PolarHBondContact O-N 2.88Å; Q730-D732 VanDerWaalsContact C-N 3.3Å; D732-R734 PolarHBondContact O-N 3.31Å
733	S	39.3	Very low	47.7	Very low	59 Å²	59	94.1 Å²	94.1	41%	0.413	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	14.4	173.1	-57.8	0	0	0	0	115.2	N729 Q730 I731 L735	N729-S733 PolarHBondContact O-N 3.4Å; Q730-S733 VanDerWaalsContact C-OG 3.26Å; Q730-S733 WeakPolarHBondContact CA-OG 3.36Å; Q730-S733 WeakPolarHBondContact O-CB 3.46Å; Q730-S733 PolarHBondContact O-N 2.72Å; Q730-S733 PolarHBondContact O-OG 3.38Å; I731-S733 VanDerWaalsContact C-N 3.32Å; S733-L735 PolarHBondContact O-N 3.12Å; S733-L735 VanDerWaalsContact O-N 3.13Å
734	R	41.7	Very low	49.2	Very low	189 Å²	189	93.6 Å²	93.6	71%	0.713	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-1.9	166.9	-52.8	-173.2	-163.7	-156.2	3.5	112.4	D732 D747	D732-R734 PolarHBondContact O-N 3.31Å; R734-D747 WeakPolarHBondContact O-CA 3.13Å; R734-D747 WeakPolarHBondContact O-CB 3.34Å
735	L	50.5	Low	50.3	Low	101 Å²	101	95.5 Å²	95.5	53%	0.529	48%	0.482	S	S	.	.			trans	-127.7	88	-177.9	-61.3	179.4	0	0	0	109.8	S733 N745	S733-L735 PolarHBondContact O-N 3.12Å; S733-L735 VanDerWaalsContact O-N 3.13Å; L735-N745 HydrophobicContact CD2-CB 3.94Å
736	L	53.5	Low	51.6	Low	51 Å²	51	89.1 Å²	89.1	27%	0.267	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	169.6	170.5	-54.8	169.2	0	0	0	111	N745 L746 L751	L736-N745 PolarHBondContact O-N 3.12Å; L736-N745 VanDerWaalsContact O-N 3.14Å; L736-L746 WeakPolarHBondContact CA-O 3.44Å; L736-L746 VanDerWaalsContact CB-O 3.31Å; L736-L746 WeakPolarHBondContact CB-O 3.24Å; L736-L746 PolarHBondContact N-O 3.42Å; L736-L746 PolarHBondContact O-N 3.1Å; L736-L751 HydrophobicContact CB-CB 4.13Å; L736-L751 HydrophobicContact CB-CD1 4.42Å; L736-L751 HydrophobicContact CB-CD2 3.84Å; L736-L751 HydrophobicContact CB-CG 4.32Å; L736-L751 HydrophobicContact CD1-CB 3.83Å; L736-L751 HydrophobicContact CD1-CD2 3.63Å; L736-L751 HydrophobicContact CD1-CG 4.33Å; L736-L751 HydrophobicContact CG-CD2 4.32Å
737	Y	59.2	Low	52.9	Low	92 Å²	92	87 Å²	87	36%	0.361	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.9	172.9	68.9	-86.2	0	0	0	111.9	T743 L751	Y737-T743 CarbonylContact C-O 3.48Å; Y737-T743 VanDerWaalsContact CA-O 3.23Å; Y737-T743 WeakPolarHBondContact CA-O 3.17Å; Y737-L751 WeakPolarHBondContact O-CD1 3.49Å
738	C	69	Low	54.2	Low	0 Å²	0	83.5 Å²	83.5	0%	0	45%	0.451	C	S	.	.			trans	-74	118.6	173.8	163.3	0	0	0	0	111.1	H740 C741 G742 T743 L746 L751 H754 C759	C738-H740 VanDerWaalsContact C-N 3.31Å; C738-H740 PolarHBondContact O-N 2.94Å; C738-C741 WeakPolarHBondContact CB-SG 3.38Å; C738-C741 VanDerWaalsContact SG-CA 3.57Å; C738-C741 WeakPolarHBondContact SG-CB 3.28Å; C738-C741 PolarHBondContact SG-N 2.84Å; C738-C741 CovalentContact SG-SG 2.05Å; C738-C741 PolarHBondContact SG-SG 3Å; C738-G742 WeakPolarHBondContact O-CA 3.42Å; C738-G742 PolarHBondContact O-N 3.35Å; C738-T743 WeakPolarHBondContact CB-O 3.32Å; C738-T743 PolarHBondContact N-O 2.99Å; C738-L746 HydrophobicContact CB-CD1 4.46Å; C738-L751 HydrophobicContact CB-CD1 4.33Å; C738-H754 PolarHBondContact SG-NE2 3.41Å; C738-C759 PolarHBondContact SG-SG 3.35Å
739	S	61.1	Low	55.5	Low	82 Å²	82	84.3 Å²	84.3	57%	0.573	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.5	176.4	46.9	0	0	0	0	114.2
740	H	61.4	Low	57.1	Low	132 Å²	132	80.2 Å²	80.2	61%	0.611	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-19.9	-173.1	-70.5	-94	0	0	0	114.6	C738 C759 T761	C738-H740 VanDerWaalsContact C-N 3.31Å; C738-H740 PolarHBondContact O-N 2.94Å; H740-C759 HydrophobicContact CB-CB 4.35Å; H740-T761 HydrophobicContact CB-CG2 4.38Å; H740-T761 VanDerWaalsContact CD2-CG2 3.49Å; H740-T761 WeakPolarHBondContact CD2-CG2 3.4Å
741	C	72.6	Confident	58.5	Low	65 Å²	65	76 Å²	76	44%	0.439	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	-15.3	-169.2	71.2	0	0	0	0	113.6	C738 T743 H754	C738-C741 WeakPolarHBondContact CB-SG 3.38Å; C738-C741 VanDerWaalsContact SG-CA 3.57Å; C738-C741 WeakPolarHBondContact SG-CB 3.28Å; C738-C741 PolarHBondContact SG-N 2.84Å; C738-C741 CovalentContact SG-SG 2.05Å; C738-C741 PolarHBondContact SG-SG 3Å; C741-T743 PolarHBondContact O-N 3.44Å; C741-T743 PolarHBondContact SG-N 3.21Å; C741-T743 PolarHBondContact SG-OG1 3.44Å; C741-H754 VanDerWaalsContact SG-CE1 3.54Å; C741-H754 PolarHBondContact SG-NE2 3.43Å
742	G	64.4	Low	59.8	Low	25 Å²	25	72 Å²	72	26%	0.258	41%	0.407	S	S	.	.			trans	83	-0.7	178.1	0	0	0	0	0	116.5	C738 S744 R780	C738-G742 WeakPolarHBondContact O-CA 3.42Å; C738-G742 PolarHBondContact O-N 3.35Å; G742-S744 PolarHBondContact O-N 2.91Å; G742-R780 PolarHBondContact O-NH2 3.33Å
743	T	70.6	Confident	61.6	Low	57 Å²	57	71.8 Å²	71.8	35%	0.35	40%	0.397	S	S	.	.			trans	-56.1	118.2	174.8	-56.6	0	0	0	0	110.5	Y737 C738 C741 L746	Y737-T743 CarbonylContact C-O 3.48Å; Y737-T743 VanDerWaalsContact CA-O 3.23Å; Y737-T743 WeakPolarHBondContact CA-O 3.17Å; C738-T743 WeakPolarHBondContact CB-O 3.32Å; C738-T743 PolarHBondContact N-O 2.99Å; C741-T743 PolarHBondContact O-N 3.44Å; C741-T743 PolarHBondContact SG-N 3.21Å; C741-T743 PolarHBondContact SG-OG1 3.44Å; T743-L746 HydrophobicContact CG2-CD1 3.8Å; T743-L746 HydrophobicContact CG2-CD2 4.24Å; T743-L746 HydrophobicContact CG2-CG 4.08Å
744	S	66	Low	63.3	Low	60 Å²	60	69.1 Å²	69.1	42%	0.42	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	168.2	178.6	52.7	0	0	0	0	111.8	G742	G742-S744 PolarHBondContact O-N 2.91Å
745	N	65.3	Low	64.4	Low	114 Å²	114	60.9 Å²	60.9	61%	0.61	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	69.8	38	177.4	-59.5	-12	0	0	0	114.6	L735 L736	L735-N745 HydrophobicContact CD2-CB 3.94Å; L736-N745 PolarHBondContact O-N 3.12Å; L736-N745 VanDerWaalsContact O-N 3.14Å
746	L	62	Low	65.3	Low	22 Å²	22	59 Å²	59	12%	0.115	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.8	175.5	-64.4	167.1	0	0	0	110.1	L736 C738 T743 L751 H754	L736-L746 WeakPolarHBondContact CA-O 3.44Å; L736-L746 VanDerWaalsContact CB-O 3.31Å; L736-L746 WeakPolarHBondContact CB-O 3.24Å; L736-L746 PolarHBondContact N-O 3.42Å; L736-L746 PolarHBondContact O-N 3.1Å; C738-L746 HydrophobicContact CB-CD1 4.46Å; T743-L746 HydrophobicContact CG2-CD1 3.8Å; T743-L746 HydrophobicContact CG2-CD2 4.24Å; T743-L746 HydrophobicContact CG2-CG 4.08Å; L746-L751 HydrophobicContact CB-CB 4.1Å; L746-L751 HydrophobicContact CB-CD1 4.46Å; L746-L751 HydrophobicContact CD1-CD1 3.8Å; L746-H754 HydrophobicContact CD1-CB 3.85Å; L746-H754 HydrophobicContact CD2-CB 4.42Å
747	D	62.1	Low	66.2	Low	74 Å²	74	62.5 Å²	62.5	40%	0.396	36%	0.356	S	S	.	.			trans	-67.4	172.1	170.7	70.3	19.2	0	0	0	112.7	R734 N749 S750 L751	R734-D747 WeakPolarHBondContact O-CA 3.13Å; R734-D747 WeakPolarHBondContact O-CB 3.34Å; D747-N749 PolarHBondContact O-N 2.92Å; D747-N749 VanDerWaalsContact O-N 3.14Å; D747-N749 PolarHBondContact OD1-N 2.92Å; D747-S750 CarbonylContact O-C 3.51Å; D747-S750 PolarHBondContact O-N 3.43Å; D747-S750 VanDerWaalsContact O-N 3.09Å; D747-S750 WeakPolarHBondContact OD1-CA 3.31Å; D747-S750 WeakPolarHBondContact OD1-CB 3.13Å; D747-S750 PolarHBondContact OD1-N 3.47Å; D747-S750 PolarHBondContact OD1-OG 3.05Å; D747-L751 PolarHBondContact O-N 3.26Å
748	G	58.7	Low	66.8	Low	43 Å²	43	63.6 Å²	63.6	44%	0.443	36%	0.364	S	S	.	.	H	α-helix	trans	-50.8	-40.8	-177.1	0	0	0	0	0	113.7	A752	G748-A752 WeakPolarHBondContact O-CB 3.46Å; G748-A752 PolarHBondContact O-N 3.12Å
749	N	64.8	Low	66.9	Low	137 Å²	137	65.1 Å²	65.1	73%	0.733	37%	0.374	S	S	*	.	H	α-helix	trans	-79.6	-37.7	-179.9	-67.2	-7.8	0	0	0	111.6	D747 A752 R753	D747-N749 PolarHBondContact O-N 2.92Å; D747-N749 VanDerWaalsContact O-N 3.14Å; D747-N749 PolarHBondContact OD1-N 2.92Å; N749-A752 PolarHBondContact O-N 3.42Å; N749-R753 VanDerWaalsContact O-CB 3.24Å; N749-R753 WeakPolarHBondContact O-CB 3.42Å; N749-R753 PolarHBondContact O-N 3.46Å
750	S	68.4	Low	66.7	Low	34 Å²	34	63.3 Å²	63.3	24%	0.238	37%	0.369	C	S	.	.	H	α-helix	trans	-70.4	-32.5	177.5	-58.2	0	0	0	0	111.9	D747 H754	D747-S750 CarbonylContact O-C 3.51Å; D747-S750 PolarHBondContact O-N 3.43Å; D747-S750 VanDerWaalsContact O-N 3.09Å; D747-S750 WeakPolarHBondContact OD1-CA 3.31Å; D747-S750 WeakPolarHBondContact OD1-CB 3.13Å; D747-S750 PolarHBondContact OD1-N 3.47Å; D747-S750 PolarHBondContact OD1-OG 3.05Å; S750-H754 WeakPolarHBondContact O-CB 3.27Å; S750-H754 PolarHBondContact O-N 2.99Å
751	L	67.3	Low	66.6	Low	12 Å²	12	58 Å²	58	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-69.5	-46.8	170.3	-175	77.1	0	0	0	110.1	L736 Y737 C738 L746 D747 R753 H754 L755 L766	L736-L751 HydrophobicContact CB-CB 4.13Å; L736-L751 HydrophobicContact CB-CD1 4.42Å; L736-L751 HydrophobicContact CB-CD2 3.84Å; L736-L751 HydrophobicContact CB-CG 4.32Å; L736-L751 HydrophobicContact CD1-CB 3.83Å; L736-L751 HydrophobicContact CD1-CD2 3.63Å; L736-L751 HydrophobicContact CD1-CG 4.33Å; L736-L751 HydrophobicContact CG-CD2 4.32Å; Y737-L751 WeakPolarHBondContact O-CD1 3.49Å; C738-L751 HydrophobicContact CB-CD1 4.33Å; L746-L751 HydrophobicContact CB-CB 4.1Å; L746-L751 HydrophobicContact CB-CD1 4.46Å; L746-L751 HydrophobicContact CD1-CD1 3.8Å; D747-L751 PolarHBondContact O-N 3.26Å; L751-R753 VanDerWaalsContact C-N 3.29Å; L751-R753 PolarHBondContact O-N 3.2Å; L751-H754 PolarHBondContact O-N 3.34Å; L751-L755 HydrophobicContact CD1-CD1 4.43Å; L751-L755 HydrophobicContact CD1-CG 4.27Å; L751-L755 HydrophobicContact CD2-CD1 3.98Å; L751-L755 HydrophobicContact CG-CD1 3.81Å; L751-L755 HydrophobicContact CG-CG 4.06Å; L751-L755 VanDerWaalsContact O-CB 3.29Å; L751-L755 WeakPolarHBondContact O-CB 3.38Å; L751-L755 VanDerWaalsContact O-CG 3.26Å; L751-L755 WeakPolarHBondContact O-CG 3.41Å; L751-L755 PolarHBondContact O-N 3.02Å; L751-L766 HydrophobicContact CD2-CD2 4.19Å
752	A	64.2	Low	65.7	Low	47 Å²	47	61.6 Å²	61.6	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-44.2	176.3	0	0	0	0	0	111.3	G748 N749 V756	G748-A752 WeakPolarHBondContact O-CB 3.46Å; G748-A752 PolarHBondContact O-N 3.12Å; N749-A752 PolarHBondContact O-N 3.42Å; A752-V756 VanDerWaalsContact O-CG2 3.32Å; A752-V756 WeakPolarHBondContact O-CG2 3.48Å; A752-V756 PolarHBondContact O-N 3.47Å
753	R	72.3	Confident	64.7	Low	111 Å²	111	64.9 Å²	64.9	42%	0.419	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-50.5	174.1	-169.6	178.6	65.5	70.4	4.7	111.3	N749 L751 L755 V756 E757 E758	N749-R753 VanDerWaalsContact O-CB 3.24Å; N749-R753 WeakPolarHBondContact O-CB 3.42Å; N749-R753 PolarHBondContact O-N 3.46Å; L751-R753 VanDerWaalsContact C-N 3.29Å; L751-R753 PolarHBondContact O-N 3.2Å; R753-L755 PolarHBondContact O-N 3.01Å; R753-V756 PolarHBondContact O-N 3.05Å; R753-E757 VanDerWaalsContact CD-OE2 3.28Å; R753-E757 WeakPolarHBondContact CD-OE2 3.41Å; R753-E757 HydrophobicContact CG-CG 4.01Å; R753-E757 VanDerWaalsContact CG-OE1 3.26Å; R753-E757 WeakPolarHBondContact CG-OE1 3.38Å; R753-E757 WeakPolarHBondContact CG-OE2 3.37Å; R753-E757 IonicContact CZ-OE2 3.71Å; R753-E757 IonicContact NE-OE2 3.28Å; R753-E757 IonicContact NH1-OE2 2.79Å; R753-E757 PolarHBondContact NH1-OE2 3.23Å; R753-E757 VanDerWaalsContact O-CB 3.31Å; R753-E757 WeakPolarHBondContact O-CB 3.31Å; R753-E757 WeakPolarHBondContact O-CG 3.36Å; R753-E757 PolarHBondContact O-N 3.16Å; R753-E758 IonicContact NH1-OE1 3.12Å; R753-E758 PolarHBondContact NH1-OE1 3.28Å; R753-E758 IonicContact NH2-OE1 2.86Å
754	H	73.8	Confident	63.4	Low	4 Å²	4	65.9 Å²	65.9	2%	0.019	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-41.2	179.7	174.3	85.9	0	0	0	113	C738 C741 L746 S750 L751 V756 E758 C759	C738-H754 PolarHBondContact SG-NE2 3.41Å; C741-H754 VanDerWaalsContact SG-CE1 3.54Å; C741-H754 PolarHBondContact SG-NE2 3.43Å; L746-H754 HydrophobicContact CD1-CB 3.85Å; L746-H754 HydrophobicContact CD2-CB 4.42Å; S750-H754 WeakPolarHBondContact O-CB 3.27Å; S750-H754 PolarHBondContact O-N 2.99Å; L751-H754 PolarHBondContact O-N 3.34Å; H754-V756 PolarHBondContact O-N 3.37Å; H754-E758 IonicContact CE1-OE2 2.76Å; H754-E758 PolarHBondContact CE1-OE2 3Å; H754-E758 VanDerWaalsContact CE1-OE2 3.25Å; H754-E758 IonicContact CG-OE2 3.34Å; H754-E758 IonicContact ND1-OE2 3.71Å; H754-E758 PolarHBondContact ND1-OE2 3.3Å; H754-E758 CarbonylContact O-C 3.53Å; H754-E758 WeakPolarHBondContact O-CA 3.39Å; H754-E758 WeakPolarHBondContact O-CB 3.33Å; H754-E758 PolarHBondContact O-N 3.34Å; H754-C759 PolarHBondContact NE2-SG 3.01Å; H754-C759 PolarHBondContact O-N 3.38Å
755	L	66.1	Low	62.2	Low	15 Å²	15	68.2 Å²	68.2	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-32.6	176	-76.3	173.8	0	0	0	112.1	L751 R753 G760 T761	L751-L755 HydrophobicContact CD1-CD1 4.43Å; L751-L755 HydrophobicContact CD1-CG 4.27Å; L751-L755 HydrophobicContact CD2-CD1 3.98Å; L751-L755 HydrophobicContact CG-CD1 3.81Å; L751-L755 HydrophobicContact CG-CG 4.06Å; L751-L755 VanDerWaalsContact O-CB 3.29Å; L751-L755 WeakPolarHBondContact O-CB 3.38Å; L751-L755 VanDerWaalsContact O-CG 3.26Å; L751-L755 WeakPolarHBondContact O-CG 3.41Å; L751-L755 PolarHBondContact O-N 3.02Å; R753-L755 PolarHBondContact O-N 3.01Å; L755-G760 PolarHBondContact O-N 3.24Å; L755-T761 WeakPolarHBondContact CB-OG1 3.32Å; L755-T761 WeakPolarHBondContact CD2-OG1 3.05Å; L755-T761 PolarHBondContact O-N 3.42Å; L755-T761 PolarHBondContact O-OG1 3.36Å
756	V	69.1	Low	60.8	Low	62 Å²	62	67 Å²	67	38%	0.376	39%	0.394	S	S	.	.	H	α-helix	trans	-90.4	-45	-179.5	174.1	0	0	0	0	112.7	Q442 A752 R753 H754	Q442-V756 PolarHBondContact NE2-O 3.05Å; Q442-V756 PolarHBondContact OE1-O 3.29Å; A752-V756 VanDerWaalsContact O-CG2 3.32Å; A752-V756 WeakPolarHBondContact O-CG2 3.48Å; A752-V756 PolarHBondContact O-N 3.47Å; R753-V756 PolarHBondContact O-N 3.05Å; H754-V756 PolarHBondContact O-N 3.37Å
757	E	71.9	Confident	59.7	Low	124 Å²	124	73.6 Å²	73.6	58%	0.579	42%	0.424	S	S	*	.	H	α-helix	trans	-88.6	-36.1	-173.4	-66.1	177.9	-177.8	0	0	113.4	R753	R753-E757 VanDerWaalsContact CD-OE2 3.28Å; R753-E757 WeakPolarHBondContact CD-OE2 3.41Å; R753-E757 HydrophobicContact CG-CG 4.01Å; R753-E757 VanDerWaalsContact CG-OE1 3.26Å; R753-E757 WeakPolarHBondContact CG-OE1 3.38Å; R753-E757 WeakPolarHBondContact CG-OE2 3.37Å; R753-E757 IonicContact CZ-OE2 3.71Å; R753-E757 IonicContact NE-OE2 3.28Å; R753-E757 IonicContact NH1-OE2 2.79Å; R753-E757 PolarHBondContact NH1-OE2 3.23Å; R753-E757 VanDerWaalsContact O-CB 3.31Å; R753-E757 WeakPolarHBondContact O-CB 3.31Å; R753-E757 WeakPolarHBondContact O-CG 3.36Å; R753-E757 PolarHBondContact O-N 3.16Å
758	E	71.9	Confident	58.6	Low	116 Å²	116	73.7 Å²	73.7	54%	0.542	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-25.6	-169	-65.8	172.7	-146.5	0	0	113	R753 H754	R753-E758 IonicContact NH1-OE1 3.12Å; R753-E758 PolarHBondContact NH1-OE1 3.28Å; R753-E758 IonicContact NH2-OE1 2.86Å; H754-E758 IonicContact CE1-OE2 2.76Å; H754-E758 PolarHBondContact CE1-OE2 3Å; H754-E758 VanDerWaalsContact CE1-OE2 3.25Å; H754-E758 IonicContact CG-OE2 3.34Å; H754-E758 IonicContact ND1-OE2 3.71Å; H754-E758 PolarHBondContact ND1-OE2 3.3Å; H754-E758 CarbonylContact O-C 3.53Å; H754-E758 WeakPolarHBondContact O-CA 3.39Å; H754-E758 WeakPolarHBondContact O-CB 3.33Å; H754-E758 PolarHBondContact O-N 3.34Å
759	C	70.1	Confident	57.7	Low	31 Å²	31	75 Å²	75	21%	0.209	43%	0.425	C	S	.	.	S	Bend	trans	-108.6	-9.3	179	-85.2	0	0	0	0	116	C738 H740 H754 T761	C738-C759 PolarHBondContact SG-SG 3.35Å; H740-C759 HydrophobicContact CB-CB 4.35Å; H754-C759 PolarHBondContact NE2-SG 3.01Å; H754-C759 PolarHBondContact O-N 3.38Å; C759-T761 HydrophobicContact CB-CG2 4.19Å; C759-T761 PolarHBondContact O-N 3.07Å
760	G	58.7	Low	56.7	Low	45 Å²	45	73.3 Å²	73.3	46%	0.464	42%	0.416	S	S	.	.			trans	62	24.1	179.1	0	0	0	0	0	115.1	L755 L762	L755-G760 PolarHBondContact O-N 3.24Å; G760-L762 PolarHBondContact O-N 3.42Å
761	T	58.5	Low	55.9	Low	21 Å²	21	75.8 Å²	75.8	13%	0.129	43%	0.433	C	S	.	.			trans	-88.3	110.6	-174.6	52	0	0	0	0	112.2	H740 L755 C759 T763	H740-T761 HydrophobicContact CB-CG2 4.38Å; H740-T761 VanDerWaalsContact CD2-CG2 3.49Å; H740-T761 WeakPolarHBondContact CD2-CG2 3.4Å; L755-T761 WeakPolarHBondContact CB-OG1 3.32Å; L755-T761 WeakPolarHBondContact CD2-OG1 3.05Å; L755-T761 PolarHBondContact O-N 3.42Å; L755-T761 PolarHBondContact O-OG1 3.36Å; C759-T761 HydrophobicContact CB-CG2 4.19Å; C759-T761 PolarHBondContact O-N 3.07Å; T761-T763 PolarHBondContact O-N 2.73Å; T761-T763 VanDerWaalsContact O-N 3.13Å
762	L	52.6	Low	55.1	Low	139 Å²	139	79.4 Å²	79.4	73%	0.728	45%	0.452	S	S	*	.	S	Bend	trans	-70.9	-2.4	-176.1	-72.1	160.5	0	0	0	115	G760	G760-L762 PolarHBondContact O-N 3.42Å
763	T	45.2	Very low	54.2	Low	95 Å²	95	79.1 Å²	79.1	58%	0.583	45%	0.447	S	S	*	.			trans	-137.5	111.8	177.4	59.8	0	0	0	0	111.9	T761 T765	T761-T763 PolarHBondContact O-N 2.73Å; T761-T763 VanDerWaalsContact O-N 3.13Å; T763-T765 PolarHBondContact O-N 3.42Å
764	A	42.7	Very low	53.2	Low	78 Å²	78	80.6 Å²	80.6	65%	0.645	46%	0.457	S	S	*	.			trans	-76.2	67.7	168.9	0	0	0	0	0	111.1	L766	A764-L766 PolarHBondContact O-N 3.47Å
765	T	39.6	Very low	52.4	Low	108 Å²	108	83.3 Å²	83.3	66%	0.663	48%	0.479	S	S	*	.			trans	-85.1	103.5	171.3	48.9	0	0	0	0	109.8	T763 H767	T763-T765 PolarHBondContact O-N 3.42Å; T765-H767 PolarHBondContact O-N 3.19Å
766	L	36.4	Very low	51.8	Low	90 Å²	90	86.5 Å²	86.5	47%	0.471	49%	0.494	S	S	.	.			trans	-72.8	71.3	170.1	-68.7	171.2	0	0	0	109.9	M641 R643 L751 A764 P768	M641-L766 HydrophobicContact CE-CD1 3.77Å; R643-L766 PolarHBondContact NH2-O 2.87Å; L751-L766 HydrophobicContact CD2-CD2 4.19Å; A764-L766 PolarHBondContact O-N 3.47Å; L766-P768 WeakPolarHBondContact O-CD 3.36Å
767	H	39.9	Very low	51.5	Low	159 Å²	159	86.7 Å²	86.7	74%	0.736	50%	0.496	S	S	*	.			trans	-106.2	87.3	176.4	-145	-77	0	0	0	109.7	T765 D769	T765-H767 PolarHBondContact O-N 3.19Å; H767-D769 VanDerWaalsContact C-N 3.33Å; H767-D769 PolarHBondContact O-N 3.4Å
768	P	39.4	Very low	51.2	Low	77 Å²	77	84.8 Å²	84.8	50%	0.5	49%	0.489	S	S	.	.			trans	-71	92.6	170.8	30.9	-33.4	0	0	0	108.4	L766 L770	L766-P768 WeakPolarHBondContact O-CD 3.36Å; P768-L770 VanDerWaalsContact C-N 3.34Å; P768-L770 PolarHBondContact O-N 3.42Å
769	D	38.2	Very low	50.9	Low	69 Å²	69	81.4 Å²	81.4	37%	0.369	48%	0.481	S	S	.	.			trans	-69.7	97.3	164.2	-168.9	-15.7	0	0	0	107.8	H767 S771 I772 S773	H767-D769 VanDerWaalsContact C-N 3.33Å; H767-D769 PolarHBondContact O-N 3.4Å; D769-S771 PolarHBondContact O-N 3.22Å; D769-S771 VanDerWaalsContact O-N 3.08Å; D769-S771 WeakPolarHBondContact OD1-CB 3.46Å; D769-S771 PolarHBondContact OD1-N 3.22Å; D769-S771 PolarHBondContact OD1-OG 3.21Å; D769-I772 HydrophobicContact CB-CB 4.34Å; D769-I772 HydrophobicContact CB-CD1 3.95Å; D769-I772 HydrophobicContact CB-CG1 4.03Å; D769-I772 PolarHBondContact O-N 3.49Å; D769-I772 WeakPolarHBondContact OD2-CD1 3.45Å; D769-S773 PolarHBondContact O-N 2.92Å; D769-S773 VanDerWaalsContact O-N 3.09Å
770	L	44.8	Very low	50.7	Low	102 Å²	102	86.5 Å²	86.5	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-52.2	-32.6	-179.3	-94.5	77.3	0	0	0	111.3	P768 S773 F774	P768-L770 VanDerWaalsContact C-N 3.34Å; P768-L770 PolarHBondContact O-N 3.42Å; L770-S773 PolarHBondContact O-N 3.31Å; L770-F774 WeakPolarHBondContact O-CB 3.26Å; L770-F774 PolarHBondContact O-N 2.73Å
771	S	50.3	Low	51	Low	86 Å²	86	90.4 Å²	90.4	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-59.2	-46.8	177.5	-28.1	0	0	0	0	111.8	D769 A775	D769-S771 PolarHBondContact O-N 3.22Å; D769-S771 VanDerWaalsContact O-N 3.08Å; D769-S771 WeakPolarHBondContact OD1-CB 3.46Å; D769-S771 PolarHBondContact OD1-N 3.22Å; D769-S771 PolarHBondContact OD1-OG 3.21Å; S771-A775 WeakPolarHBondContact O-CB 3.36Å; S771-A775 PolarHBondContact O-N 3.44Å; S771-A775 VanDerWaalsContact O-N 3.15Å
772	I	51.2	Low	51.3	Low	89 Å²	89	92.1 Å²	92.1	46%	0.456	52%	0.515	S	S	.	.	H	α-helix	trans	-75.1	-39.9	-177.7	-57.3	178.1	0	0	0	110.2	D769 A775 Q776	D769-I772 HydrophobicContact CB-CB 4.34Å; D769-I772 HydrophobicContact CB-CD1 3.95Å; D769-I772 HydrophobicContact CB-CG1 4.03Å; D769-I772 PolarHBondContact O-N 3.49Å; D769-I772 WeakPolarHBondContact OD2-CD1 3.45Å; I772-A775 PolarHBondContact O-N 2.99Å; I772-Q776 HydrophobicContact CG2-CG 4.31Å; I772-Q776 WeakPolarHBondContact O-CB 3.42Å; I772-Q776 WeakPolarHBondContact O-CG 3.38Å; I772-Q776 PolarHBondContact O-N 3.18Å
773	S	45.1	Very low	51.8	Low	40 Å²	40	90.2 Å²	90.2	28%	0.28	50%	0.502	S	S	.	.	H	α-helix	trans	-55.6	-54.5	174.2	176.9	0	0	0	0	111.3	D769 L770 A775 Q776 T777	D769-S773 PolarHBondContact O-N 2.92Å; D769-S773 VanDerWaalsContact O-N 3.09Å; L770-S773 PolarHBondContact O-N 3.31Å; S773-A775 VanDerWaalsContact C-N 3.34Å; S773-A775 PolarHBondContact O-N 2.82Å; S773-Q776 PolarHBondContact O-N 3.02Å; S773-T777 PolarHBondContact O-N 2.98Å; S773-T777 PolarHBondContact O-OG1 2.84Å
774	F	52.9	Low	52.6	Low	143 Å²	143	88.4 Å²	88.4	63%	0.627	50%	0.497	S	S	*	.	H	α-helix	trans	-61.3	-41.1	179.5	-122.6	-81.4	0	0	0	112.4	L770 T777 N778	L770-F774 WeakPolarHBondContact O-CB 3.26Å; L770-F774 PolarHBondContact O-N 2.73Å; F774-T777 PolarHBondContact O-N 3.07Å; F774-N778 WeakPolarHBondContact O-CB 3.1Å; F774-N778 VanDerWaalsContact O-CG 3.23Å; F774-N778 PolarHBondContact O-N 3.27Å; F774-N778 PolarHBondContact O-ND2 3.39Å
775	A	55.7	Low	53.3	Low	60 Å²	60	87.9 Å²	87.9	50%	0.496	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-45	177.7	0	0	0	0	0	112.3	S771 I772 S773 A779	S771-A775 WeakPolarHBondContact O-CB 3.36Å; S771-A775 PolarHBondContact O-N 3.44Å; S771-A775 VanDerWaalsContact O-N 3.15Å; I772-A775 PolarHBondContact O-N 2.99Å; S773-A775 VanDerWaalsContact C-N 3.34Å; S773-A775 PolarHBondContact O-N 2.82Å; A775-A779 WeakPolarHBondContact O-CB 3.22Å; A775-A779 PolarHBondContact O-N 3.22Å
776	Q	53.5	Low	54.3	Low	82 Å²	82	88.9 Å²	88.9	38%	0.383	49%	0.486	S	S	.	.	H	α-helix	trans	-69.3	-37.8	178.5	-71.8	-177.8	-3.4	0	0	112.6	I772 S773 A779 R780	I772-Q776 HydrophobicContact CG2-CG 4.31Å; I772-Q776 WeakPolarHBondContact O-CB 3.42Å; I772-Q776 WeakPolarHBondContact O-CG 3.38Å; I772-Q776 PolarHBondContact O-N 3.18Å; S773-Q776 PolarHBondContact O-N 3.02Å; Q776-A779 PolarHBondContact O-N 3.43Å; Q776-R780 WeakPolarHBondContact O-CG 3.41Å; Q776-R780 PolarHBondContact O-N 2.93Å
777	T	62	Low	55.3	Low	67 Å²	67	90.8 Å²	90.8	41%	0.411	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-44.4	175.7	-49.9	0	0	0	0	111.2	S773 F774 R780 Q781	S773-T777 PolarHBondContact O-N 2.98Å; S773-T777 PolarHBondContact O-OG1 2.84Å; F774-T777 PolarHBondContact O-N 3.07Å; T777-R780 PolarHBondContact O-N 3.45Å; T777-Q781 WeakPolarHBondContact O-CG 3.26Å; T777-Q781 PolarHBondContact O-N 3.24Å
778	N	66	Low	56	Low	84 Å²	84	90 Å²	90	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.7	-71.2	-11.3	0	0	0	111.7	F774 R780 Q781 S782	F774-N778 WeakPolarHBondContact O-CB 3.1Å; F774-N778 VanDerWaalsContact O-CG 3.23Å; F774-N778 PolarHBondContact O-N 3.27Å; F774-N778 PolarHBondContact O-ND2 3.39Å; N778-R780 PolarHBondContact O-N 2.81Å; N778-Q781 PolarHBondContact O-N 2.82Å; N778-S782 PolarHBondContact O-N 3.43Å; N778-S782 PolarHBondContact O-OG 2.89Å
779	A	65.4	Low	56.6	Low	45 Å²	45	93.2 Å²	93.2	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-60.4	-44.6	177.3	0	0	0	0	0	112.6	A775 Q776 Q781 S782 E783	A775-A779 WeakPolarHBondContact O-CB 3.22Å; A775-A779 PolarHBondContact O-N 3.22Å; Q776-A779 PolarHBondContact O-N 3.43Å; A779-Q781 VanDerWaalsContact C-N 3.34Å; A779-Q781 PolarHBondContact O-N 3.03Å; A779-S782 WeakPolarHBondContact CA-OG 3.23Å; A779-S782 PolarHBondContact O-N 3.37Å; A779-S782 PolarHBondContact O-OG 3.22Å; A779-E783 PolarHBondContact O-N 3Å
780	R	66.5	Low	57.2	Low	138 Å²	138	97 Å²	97	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-36	175.2	-72.7	-177.1	-176.4	-172.5	0.9	112.4	G742 Q776 T777 N778 A784	G742-R780 PolarHBondContact O-NH2 3.33Å; Q776-R780 WeakPolarHBondContact O-CG 3.41Å; Q776-R780 PolarHBondContact O-N 2.93Å; T777-R780 PolarHBondContact O-N 3.45Å; N778-R780 PolarHBondContact O-N 2.81Å; R780-A784 VanDerWaalsContact O-CB 3.28Å; R780-A784 WeakPolarHBondContact O-CB 3.43Å; R780-A784 PolarHBondContact O-N 2.85Å
781	Q	64.9	Low	57.3	Low	127 Å²	127	95.7 Å²	95.7	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-66.4	-42.1	175.3	-73.4	-177.7	16	0	0	111.8	T777 N778 A779 A784 S785	T777-Q781 WeakPolarHBondContact O-CG 3.26Å; T777-Q781 PolarHBondContact O-N 3.24Å; N778-Q781 PolarHBondContact O-N 2.82Å; A779-Q781 VanDerWaalsContact C-N 3.34Å; A779-Q781 PolarHBondContact O-N 3.03Å; Q781-A784 PolarHBondContact O-N 3.04Å; Q781-S785 PolarHBondContact O-N 3.09Å; Q781-S785 PolarHBondContact O-OG 2.79Å
782	S	64.9	Low	57.2	Low	56 Å²	56	98.7 Å²	98.7	39%	0.392	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-50.6	172.8	37.6	0	0	0	0	112.1	N778 A779 A784 S785 E786	N778-S782 PolarHBondContact O-N 3.43Å; N778-S782 PolarHBondContact O-OG 2.89Å; A779-S782 WeakPolarHBondContact CA-OG 3.23Å; A779-S782 PolarHBondContact O-N 3.37Å; A779-S782 PolarHBondContact O-OG 3.22Å; S782-A784 VanDerWaalsContact C-N 3.32Å; S782-A784 PolarHBondContact O-N 3.19Å; S782-S785 PolarHBondContact O-N 3.18Å; S782-S785 VanDerWaalsContact O-N 3.12Å; S782-S785 PolarHBondContact O-OG 2.76Å; S782-E786 PolarHBondContact O-N 3.4Å
783	E	63.9	Low	56.9	Low	100 Å²	100	104.1 Å²	104.1	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-61.8	-36.9	179.6	-75.3	-170.4	-155.2	0	0	113.4	A779 E786 K787	A779-E783 PolarHBondContact O-N 3Å; E783-E786 PolarHBondContact O-N 2.85Å; E783-K787 WeakPolarHBondContact O-CB 3.42Å; E783-K787 WeakPolarHBondContact O-CG 3.35Å; E783-K787 PolarHBondContact O-N 2.73Å; E783-K787 IonicContact OE2-NZ 3.18Å; E783-K787 PolarHBondContact OE2-NZ 3.11Å
784	A	61.4	Low	56.6	Low	56 Å²	56	109.7 Å²	109.7	46%	0.463	56%	0.56	S	S	.	*	H	α-helix	trans	-66.4	-39.5	176.3	0	0	0	0	0	111.6	R780 Q781 S782 H788	R780-A784 VanDerWaalsContact O-CB 3.28Å; R780-A784 WeakPolarHBondContact O-CB 3.43Å; R780-A784 PolarHBondContact O-N 2.85Å; Q781-A784 PolarHBondContact O-N 3.04Å; S782-A784 VanDerWaalsContact C-N 3.32Å; S782-A784 PolarHBondContact O-N 3.19Å; A784-H788 PolarHBondContact O-N 3.03Å
785	S	57.6	Low	55.5	Low	68 Å²	68	106.2 Å²	106.2	48%	0.476	57%	0.565	S	S	.	*	H	α-helix	trans	-69.7	-32.7	175.7	65.6	0	0	0	0	113.4	Q781 S782 Q789	Q781-S785 PolarHBondContact O-N 3.09Å; Q781-S785 PolarHBondContact O-OG 2.79Å; S782-S785 PolarHBondContact O-N 3.18Å; S782-S785 VanDerWaalsContact O-N 3.12Å; S782-S785 PolarHBondContact O-OG 2.76Å; S785-Q789 PolarHBondContact O-N 3.2Å
786	E	61.1	Low	54.4	Low	129 Å²	129	112.4 Å²	112.4	60%	0.603	58%	0.581	S	S	*	*	H	α-helix	trans	-72.6	-45.7	174.2	-71.6	-177	154.2	0	0	111.9	S782 E783 H788 Q789 E790	S782-E786 PolarHBondContact O-N 3.4Å; E783-E786 PolarHBondContact O-N 2.85Å; E786-H788 VanDerWaalsContact C-N 3.29Å; E786-H788 PolarHBondContact O-N 2.88Å; E786-Q789 WeakPolarHBondContact O-CA 3.26Å; E786-Q789 PolarHBondContact O-N 2.98Å; E786-E790 PolarHBondContact O-N 3.31Å
787	K	56.7	Low	53.5	Low	130 Å²	130	116.5 Å²	116.5	57%	0.565	60%	0.6	S	S	*	*	H	α-helix	trans	-62.1	-33.6	178.2	-76.9	168.9	-179.4	153.5	0	113	E783 S791	E783-K787 WeakPolarHBondContact O-CB 3.42Å; E783-K787 WeakPolarHBondContact O-CG 3.35Å; E783-K787 PolarHBondContact O-N 2.73Å; E783-K787 IonicContact OE2-NZ 3.18Å; E783-K787 PolarHBondContact OE2-NZ 3.11Å; K787-S791 PolarHBondContact O-N 3.43Å; K787-S791 PolarHBondContact O-OG 2.92Å
788	H	54.7	Low	51.8	Low	143 Å²	143	117.5 Å²	117.5	66%	0.662	61%	0.61	S	S	*	*	H	α-helix	trans	-73.8	-23.7	171.4	-89.9	-28.1	0	0	0	114.2	A784 E786 S791	A784-H788 PolarHBondContact O-N 3.03Å; E786-H788 VanDerWaalsContact C-N 3.29Å; E786-H788 PolarHBondContact O-N 2.88Å; H788-S791 PolarHBondContact O-OG 3.17Å
789	Q	52.3	Low	50.4	Low	144 Å²	144	119.8 Å²	119.8	67%	0.673	62%	0.622	S	S	*	*	H	α-helix	trans	-81.6	-22.5	171.3	-74.1	-169.9	12.4	0	0	113.7	S785 E786	S785-Q789 PolarHBondContact O-N 3.2Å; E786-Q789 WeakPolarHBondContact O-CA 3.26Å; E786-Q789 PolarHBondContact O-N 2.98Å
790	E	50.4	Low	48.9	Very low	148 Å²	148	125 Å²	125	69%	0.692	64%	0.644	S	S	*	*	H	α-helix	trans	-83.6	-35.2	172.4	-72.9	-163	131.5	0	0	113.5	E786 D792 R793	E786-E790 PolarHBondContact O-N 3.31Å; E790-D792 VanDerWaalsContact C-N 3.27Å; E790-D792 PolarHBondContact O-N 3.46Å; E790-R793 PolarHBondContact O-N 2.87Å
791	S	46.4	Very low	47.5	Very low	74 Å²	74	123.4 Å²	123.4	52%	0.517	65%	0.651	S	S	.	*	H	α-helix	trans	-63.3	-30.4	-179.2	61.2	0	0	0	0	113.9	K787 H788 R793	K787-S791 PolarHBondContact O-N 3.43Å; K787-S791 PolarHBondContact O-OG 2.92Å; H788-S791 PolarHBondContact O-OG 3.17Å; S791-R793 VanDerWaalsContact C-N 3.31Å; S791-R793 PolarHBondContact O-N 2.92Å
792	D	48.2	Very low	46	Very low	150 Å²	150	127.9 Å²	127.9	80%	0.802	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	2.2	-179.4	-79	-4.4	0	0	0	113.9	E790	E790-D792 VanDerWaalsContact C-N 3.27Å; E790-D792 PolarHBondContact O-N 3.46Å
793	R	45.3	Very low	44.5	Very low	202 Å²	202	128.2 Å²	128.2	76%	0.762	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-17.4	-169.1	-115.5	176.9	177.9	165.4	2.2	117.4	E790 S791	E790-R793 PolarHBondContact O-N 2.87Å; S791-R793 VanDerWaalsContact C-N 3.31Å; S791-R793 PolarHBondContact O-N 2.92Å
794	N	38	Very low	43.1	Very low	157 Å²	157	129.3 Å²	129.3	84%	0.84	70%	0.695	S	S	*	*			trans	-128.6	93.6	-175.8	-75.3	-37.9	0	0	0	112.8
795	G	29.7	Very low	41.8	Very low	70 Å²	70	133.3 Å²	133.3	72%	0.722	71%	0.714	S	S	*	*			trans	-115.1	164.5	163.7	0	0	0	0	0	112.3
796	F	33.1	Very low	40.5	Very low	191 Å²	191	136.7 Å²	136.7	84%	0.838	73%	0.727	S	S	*	*			trans	91	118.3	172.9	-85.6	-110.7	0	0	0	120.4
797	Q	34.4	Very low	39.2	Very low	167 Å²	167	140.1 Å²	140.1	78%	0.78	74%	0.743	S	S	*	*			trans	68.4	160.9	146.9	-68.6	170.8	-15.6	0	0	120.3
798	S	28.1	Very low	37.7	Very low	89 Å²	89	142.1 Å²	142.1	62%	0.622	75%	0.751	S	S	*	*				-166.8	166.6	-58.9	51.8	0	0	0	0	110
799	D	34.6	Very low	36.5	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	76%	0.761	S	S	*	*			trans	84.9	95.3	155	-52.7	-53.2	0	0	0	123.5
800	N	34.4	Very low	35.4	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	76%	0.76	S	S	*	*				81.1	153.5	122.5	-81.7	-14	0	0	0	125.8
801	P	38.5	Very low	33.9	Very low	105 Å²	105	143.6 Å²	143.6	68%	0.682	77%	0.767	S	S	*	*			trans	-132.8	-176	-154.5	44.5	-27	0	0	0	116.2
802	F	32.6	Very low	32.9	Very low	220 Å²	220	147.9 Å²	147.9	97%	0.965	78%	0.783	S	S	*	*			trans	-166.4	138.1	155.7	-119	-79.7	0	0	0	113.9
803	G	33.4	Very low	31.7	Very low	63 Å²	63	145.8 Å²	145.8	65%	0.649	78%	0.78	S	S	*	*			trans	115.2	70	147	0	0	0	0	0	122.4
804	T	35.1	Very low	30.9	Very low	124 Å²	124	141.7 Å²	141.7	76%	0.761	78%	0.782	S	S	*	*			trans	7	144	141.9	53.1	0	0	0	0	121
805	T	33.2	Very low	30.1	Very low	139 Å²	139	143.1 Å²	143.1	85%	0.853	78%	0.784	S	S	*	*				-147.8	151.6	59.2	42.8	0	0	0	0	116.9
806	D	30	Very low	30.2	Very low	139 Å²	139	145.8 Å²	145.8	74%	0.743	79%	0.788	S	S	*	*			trans	-93	159.7	-170.3	-56.8	-87.4	0	0	0	117.5
807	Q	34.3	Very low	29.8	Very low	201 Å²	201	142 Å²	142	94%	0.939	79%	0.785	S	S	*	*				-153.7	116.2	127.2	-105.9	176.4	17.2	0	0	109.8
808	K	25.4	Very low	29.6	Very low	172 Å²	172	141.7 Å²	141.7	75%	0.748	79%	0.788	S	S	*	*			trans	-157.9	128.9	-176.3	-171.9	-177.2	-175.4	178.5	0	112.1	I810	K808-I810 HydrophobicContact CG-CG1 4.33Å
809	I	29.2	Very low	29.5	Very low	167 Å²	167	145.1 Å²	145.1	86%	0.856	80%	0.799	S	S	*	*			trans	-146.7	106.3	169.7	-54.9	177.6	0	0	0	104.5
810	I	28.4	Very low	29.4	Very low	128 Å²	128	143.5 Å²	143.5	66%	0.656	80%	0.796	S	S	*	*				70	103.2	54.8	-54.4	-176.3	0	0	0	112.8	K808	K808-I810 HydrophobicContact CG-CG1 4.33Å
811	M	20.6	Very low	29.1	Very low	172 Å²	172	142 Å²	142	85%	0.847	79%	0.792	S	S	*	*			trans	-78.2	-177.4	168.9	-65	-138.5	-65.3	0	0	112.4
812	I	24.4	Very low	28.6	Very low	164 Å²	164	142.8 Å²	142.8	84%	0.841	80%	0.8	S	S	*	*			trans	95.4	127	-170.9	-54.3	155.2	0	0	0	109.1
813	S	24.2	Very low	28.4	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	79%	0.788	S	S	*	*			cis	-157.2	163.7	27.1	16	0	0	0	0	114.5
814	S	27.4	Very low	28	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	79%	0.792	S	S	*	*			trans	-26.1	150.4	164.2	32.7	0	0	0	0	121.9
815	E	22.4	Very low	27.8	Very low	187 Å²	187	140.9 Å²	140.9	87%	0.874	80%	0.797	S	S	*	*			trans	-72.5	158.8	169.2	-57.5	-175.9	131.8	0	0	115
816	P	30.8	Very low	27.7	Very low	126 Å²	126	141 Å²	141	82%	0.818	79%	0.791	S	S	*	*			trans	-128.1	155.4	145.3	37.6	-26.3	0	0	0	113.8
817	S	25.2	Very low	27.6	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	79%	0.787	S	S	*	*			trans	-93.1	169.9	-164.9	-37.4	0	0	0	0	116.3
818	L	29.4	Very low	27.4	Very low	160 Å²	160	135.5 Å²	135.5	84%	0.838	78%	0.775	S	S	*	*			trans	98.8	90.6	159.1	-55	169.8	0	0	0	119.9
819	L	26.4	Very low	27.5	Very low	161 Å²	161	133.5 Å²	133.5	84%	0.843	77%	0.773	S	S	*	*				24.8	155.9	116.5	-75.2	161.2	0	0	0	121.5
820	P	32	Very low	27.4	Very low	99 Å²	99	131.4 Å²	131.4	64%	0.643	76%	0.763	S	S	*	*			cis	-142.8	-172.1	-9.3	40.7	-20.7	0	0	0	117.5
821	T	27.6	Very low	27.2	Very low	123 Å²	123	131.9 Å²	131.9	76%	0.755	77%	0.772	S	S	*	*			trans	93.9	123.6	150.1	45.7	0	0	0	0	123.5
822	S	28.3	Very low	27.4	Very low	120 Å²	120	128.4 Å²	128.4	84%	0.839	76%	0.76	S	S	*	*			trans	63.2	123.1	158.3	51.2	0	0	0	0	118.5
823	A	28.3	Very low	27.3	Very low	86 Å²	86	128.9 Å²	128.9	71%	0.711	76%	0.761	S	S	*	*			cis	-160.8	154	31	0	0	0	0	0	114.3
824	T	26.4	Very low	27.3	Very low	120 Å²	120	131.5 Å²	131.5	74%	0.736	76%	0.763	S	S	*	*			trans	46.8	96.9	152.6	55.7	0	0	0	0	119.6
825	N	30.3	Very low	27.2	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	76%	0.764	S	S	*	*				-156.7	143.1	101.3	-92.5	-16.4	0	0	0	110.9
826	I	30.2	Very low	27.5	Very low	143 Å²	143	130.1 Å²	130.1	73%	0.733	76%	0.762	S	S	*	*			trans	-86.8	126.6	-172.6	-70.6	151	0	0	0	106.2
827	S	29.8	Very low	27.4	Very low	93 Å²	93	131.5 Å²	131.5	65%	0.65	76%	0.763	S	S	*	*				51.5	147.1	72.1	87.6	0	0	0	0	112
828	D	29.9	Very low	27.6	Very low	130 Å²	130	132.1 Å²	132.1	70%	0.695	76%	0.762	S	S	*	*			cis	-136.3	158.7	29.4	-63.3	-49	0	0	0	109.4
829	N	27.2	Very low	27.6	Very low	131 Å²	131	130.8 Å²	130.8	70%	0.701	76%	0.756	S	S	*	*			cis	75.6	140.5	44.6	-124	54.6	0	0	0	114.5
830	D	27.5	Very low	28	Very low	122 Å²	122	132.7 Å²	132.7	65%	0.652	76%	0.761	S	S	*	*			trans	81.2	126.9	155.3	-56.1	-40.5	0	0	0	122.1	V832	D830-V832 HydrophobicContact CB-CG2 4.49Å; D830-V832 PolarHBondContact O-N 2.95Å
831	V	23.7	Very low	27.8	Very low	139 Å²	139	133.4 Å²	133.4	84%	0.842	77%	0.768	S	S	*	*			trans	-60	116.5	157.8	173.7	0	0	0	0	108.5
832	V	24.7	Very low	27.7	Very low	99 Å²	99	132.8 Å²	132.8	60%	0.6	77%	0.768	S	S	*	*			trans	-120.8	101.7	174.1	-171	0	0	0	0	110.4	D830 M834	D830-V832 HydrophobicContact CB-CG2 4.49Å; D830-V832 PolarHBondContact O-N 2.95Å; V832-M834 HydrophobicContact CG1-CE 3.59Å; V832-M834 HydrophobicContact CG1-CG 3.88Å; V832-M834 PolarHBondContact O-N 3.01Å
833	M	21.6	Very low	27.7	Very low	173 Å²	173	132.3 Å²	132.3	85%	0.852	77%	0.765	S	S	*	*			trans	-64.3	123	165.1	-65.8	-80.7	-77.6	0	0	109.1
834	M	25.2	Very low	27.4	Very low	162 Å²	162	135.5 Å²	135.5	80%	0.798	77%	0.767	S	S	*	*			trans	-130	112.5	169.2	-66.6	-152.7	-175.5	0	0	111.5	V832	V832-M834 HydrophobicContact CG1-CE 3.59Å; V832-M834 HydrophobicContact CG1-CG 3.88Å; V832-M834 PolarHBondContact O-N 3.01Å
835	T	25.3	Very low	27.4	Very low	136 Å²	136	139.2 Å²	139.2	83%	0.834	77%	0.768	S	S	*	*			trans	-94.5	124.5	165.3	51	0	0	0	0	109.2
836	V	28.5	Very low	27.1	Very low	137 Å²	137	138.9 Å²	138.9	83%	0.83	77%	0.765	S	S	*	*			trans	-144.6	141.8	162.2	-166.5	0	0	0	0	109.6
837	D	27.2	Very low	26.9	Very low	155 Å²	155	138.7 Å²	138.7	83%	0.829	77%	0.77	S	S	*	*			trans	-75.5	171.1	-161	-57.8	-83	0	0	0	117.8
838	T	30.1	Very low	26.8	Very low	124 Å²	124	142.6 Å²	142.6	76%	0.761	78%	0.778	S	S	*	*			trans	-62.2	177.4	-178.3	-22.5	0	0	0	0	115.7
839	D	30.2	Very low	26.9	Very low	133 Å²	133	142.2 Å²	142.2	71%	0.711	79%	0.786	S	S	*	*			trans	82.4	93	162	-59.2	-17.3	0	0	0	118.5
840	Q	34.5	Very low	26.9	Very low	201 Å²	201	144.6 Å²	144.6	94%	0.939	79%	0.793	S	S	*	*				-166.9	132.5	105.1	-102.3	150.5	102.3	0	0	114.2
841	S	27.2	Very low	27	Very low	114 Å²	114	147.1 Å²	147.1	80%	0.797	80%	0.801	S	S	*	*			trans	-80.7	167.3	176.4	-55.8	0	0	0	0	113.2
842	S	26.6	Very low	27.2	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	79%	0.793	S	S	*	*			trans	84.4	100.3	154.6	70.8	0	0	0	0	120.7
843	S	26.8	Very low	27.4	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	80%	0.799	S	S	*	*				67.6	124.6	124.2	69.5	0	0	0	0	122.7
844	M	23.4	Very low	27.6	Very low	152 Å²	152	147.9 Å²	147.9	75%	0.749	80%	0.801	S	S	*	*			trans	100.1	109.2	130.3	-159.3	167.8	180	0	0	120.7
845	R	24.7	Very low	27.7	Very low	199 Å²	199	145.2 Å²	145.2	75%	0.751	80%	0.804	S	S	*	*			trans	72.8	116.6	147.1	-78.7	-175.5	174.4	177.3	-3.1	122.2
846	L	24.4	Very low	27.7	Very low	154 Å²	154	145.8 Å²	145.8	81%	0.806	80%	0.8	S	S	*	*				46.9	121.6	123.3	-61.8	168.5	0	0	0	119.6
847	V	27.2	Very low	27.6	Very low	138 Å²	138	146.9 Å²	146.9	84%	0.836	80%	0.801	S	S	*	*				-165.3	153.7	100.5	154.9	0	0	0	0	108.9
848	E	26.5	Very low	27.6	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	80%	0.796	S	S	*	*			trans	-70.2	153.4	-171.3	-57.7	145	122.4	0	0	115.7
849	S	31.4	Very low	27.5	Very low	123 Å²	123	141 Å²	141	86%	0.86	78%	0.784	S	S	*	*			trans	-154	142.1	134.5	-33.8	0	0	0	0	109.9
850	Q	29.2	Very low	27.8	Very low	181 Å²	181	138.2 Å²	138.2	85%	0.846	77%	0.773	S	S	*	*			trans	-82.1	148.8	177.2	-59.7	163.3	-94.1	0	0	110.9
851	E	29.4	Very low	27.9	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.813	76%	0.761	S	S	*	*				178.6	140.5	102.7	-93.6	173.2	174.4	0	0	112.5
852	D	27.9	Very low	28.4	Very low	126 Å²	126	136.1 Å²	136.1	67%	0.674	75%	0.753	S	S	*	*			trans	63	111.6	157.1	-72.4	-33.7	0	0	0	124.8
853	Q	27.5	Very low	29	Very low	159 Å²	159	133.5 Å²	133.5	74%	0.743	73%	0.732	S	S	*	*				71.3	85.7	124.7	-62.2	169.7	49	0	0	120.4
854	T	27.4	Very low	29.3	Very low	143 Å²	143	133.4 Å²	133.4	88%	0.877	73%	0.727	S	S	*	*				-169.5	138.6	112.3	16.2	0	0	0	0	109.8
855	A	25.5	Very low	29.9	Very low	105 Å²	105	131.2 Å²	131.2	87%	0.868	72%	0.715	S	S	*	*			trans	-82.8	123.2	-171	0	0	0	0	0	111.9
856	I	26.1	Very low	30.4	Very low	148 Å²	148	127.4 Å²	127.4	76%	0.759	72%	0.719	S	S	*	*			trans	-100.5	110.9	173.1	-60	171.1	0	0	0	107.3	S858	I856-S858 PolarHBondContact O-N 3.47Å; I856-S858 PolarHBondContact O-OG 3.09Å
857	L	27.1	Very low	31.3	Very low	160 Å²	160	126.2 Å²	126.2	84%	0.838	71%	0.714	S	S	*	*			trans	-67.5	132	172.2	-89	161.3	0	0	0	109.7
858	S	27.3	Very low	32.4	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	70%	0.704	S	S	*	*			trans	-132.9	130.8	-172.8	-57	0	0	0	0	108	I856	I856-S858 PolarHBondContact O-N 3.47Å; I856-S858 PolarHBondContact O-OG 3.09Å
859	G	28.4	Very low	33.4	Very low	49 Å²	49	116.9 Å²	116.9	51%	0.505	68%	0.681	S	S	.	*			trans	-169.1	45.5	-169.4	0	0	0	0	0	118.6
860	T	36.2	Very low	34.5	Very low	76 Å²	76	113.5 Å²	113.5	47%	0.466	66%	0.655	S	S	.	*			trans	-157.8	128.5	156.8	6.4	0	0	0	0	110.6
861	Q	36.6	Very low	35.8	Very low	147 Å²	147	105.3 Å²	105.3	69%	0.687	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.5	130.4	168.9	-82.6	-171.1	-1.7	0	0	110.2
862	I	37.2	Very low	37.3	Very low	124 Å²	124	99 Å²	99	64%	0.636	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.1	117.5	169	-60	173.3	0	0	0	107.2
863	T	39.5	Very low	38.9	Very low	53 Å²	53	94 Å²	94	33%	0.325	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	103.4	-176.9	-52.4	0	0	0	0	110.6	Q865	T863-Q865 PolarHBondContact O-N 2.89Å
864	T	33.4	Very low	40.2	Very low	109 Å²	109	88.5 Å²	88.5	67%	0.669	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.7	167.5	48.6	0	0	0	0	109.9	T870	T864-T870 HydrophobicContact CG2-CG2 4.37Å
865	Q	35.1	Very low	41.5	Very low	106 Å²	106	83.7 Å²	83.7	50%	0.495	51%	0.51	S	S	.	.			trans	-79.5	164.1	172	-62.7	-166.5	17	0	0	111.3	T863 D867	T863-Q865 PolarHBondContact O-N 2.89Å; Q865-D867 PolarHBondContact O-N 2.82Å
866	S	35.5	Very low	43	Very low	119 Å²	119	82.2 Å²	82.2	83%	0.832	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.7	-176.7	48.6	0	0	0	0	115.3
867	D	42.5	Very low	43.8	Very low	130 Å²	130	84.3 Å²	84.3	70%	0.695	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	18.8	-162.4	-65.9	21.1	0	0	0	112	Q865 T869	Q865-D867 PolarHBondContact O-N 2.82Å; D867-T869 VanDerWaalsContact C-N 3.29Å; D867-T869 PolarHBondContact O-N 3.12Å
868	G	51.3	Low	45	Very low	61 Å²	61	80 Å²	80	63%	0.629	49%	0.488	S	S	*	.	S	Bend	trans	85.9	-20.5	170	0	0	0	0	0	116
869	T	47	Very low	46	Very low	55 Å²	55	77.5 Å²	77.5	34%	0.337	48%	0.479	S	S	.	.			trans	-78.7	142.7	179.6	47.7	0	0	0	0	112.4	D867	D867-T869 VanDerWaalsContact C-N 3.29Å; D867-T869 PolarHBondContact O-N 3.12Å
870	T	55.2	Low	47.4	Very low	53 Å²	53	82.2 Å²	82.2	33%	0.325	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.5	173.8	50.1	0	0	0	0	110.5	T864 L887	T864-T870 HydrophobicContact CG2-CG2 4.37Å; T870-L887 PolarHBondContact O-N 3.26Å; T870-L887 WeakPolarHBondContact OG1-CB 3.25Å
871	T	56.5	Low	48.6	Very low	8 Å²	8	82.4 Å²	82.4	5%	0.049	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.6	178.4	69.5	0	0	0	0	112.8	D873 Q884 F885 I886	T871-D873 PolarHBondContact OG1-OD1 3.32Å; T871-Q884 HydrophobicContact CG2-CG 4.2Å; T871-Q884 PolarHBondContact OG1-NE2 3.25Å; T871-F885 CarbonylContact C-O 3.56Å; T871-F885 WeakPolarHBondContact CA-O 3.34Å; T871-F885 WeakPolarHBondContact CB-O 3.47Å; T871-I886 HydrophobicContact CG2-CG1 4.27Å
872	I	60.7	Low	49.8	Very low	43 Å²	43	80 Å²	80	22%	0.221	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.3	169.2	-54.9	172.9	0	0	0	106.9	F885 L887	I872-F885 HydrophobicContact CB-CB 4.29Å; I872-F885 HydrophobicContact CB-CD2 4.43Å; I872-F885 PolarHBondContact N-O 3.39Å; I872-F885 PolarHBondContact O-N 3Å; I872-L887 HydrophobicContact CD1-CD1 4.09Å; I872-L887 HydrophobicContact CD1-CD2 4.38Å; I872-L887 HydrophobicContact CD1-CG 4.37Å; I872-L887 HydrophobicContact CG1-CD1 3.97Å; I872-L887 HydrophobicContact CG1-CG 4.48Å
873	D	60.3	Low	50.6	Low	19 Å²	19	78.3 Å²	78.3	10%	0.102	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.8	-176.8	-57.5	-15.1	0	0	0	109.2	T871 V881 Q884	T871-D873 PolarHBondContact OG1-OD1 3.32Å; D873-V881 HydrophobicContact CB-CG1 4.05Å; D873-V881 HydrophobicContact CB-CG2 4.24Å; D873-Q884 WeakPolarHBondContact OD1-CG 3.45Å; D873-Q884 PolarHBondContact OD1-NE2 3.39Å
874	V	54.8	Low	51.5	Low	45 Å²	45	80.4 Å²	80.4	27%	0.273	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.9	174.1	179.8	0	0	0	0	108.7	V881 V882 Q883 F885	V874-V881 CarbonylContact O-C 3.57Å; V874-V881 WeakPolarHBondContact O-CA 3.23Å; V874-V882 PolarHBondContact O-N 2.89Å; V874-Q883 HydrophobicContact CB-CB 4.39Å; V874-Q883 PolarHBondContact N-O 2.84Å; V874-Q883 PolarHBondContact O-N 3.14Å; V874-F885 HydrophobicContact CG2-CD2 4.34Å; V874-F885 HydrophobicContact CG2-CE2 3.79Å
875	T	55	Low	52.6	Low	42 Å²	42	76.6 Å²	76.6	26%	0.258	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148.1	179.9	52.9	0	0	0	0	112.5	E880 V881	T875-E880 CarbonylContact C-O 3.57Å; T875-E880 VanDerWaalsContact CA-O 3.23Å; T875-E880 WeakPolarHBondContact CA-O 3.1Å; T875-V881 HydrophobicContact CG2-CG2 4.09Å
876	D	58.3	Low	53.9	Low	73 Å²	73	77.3 Å²	77.3	39%	0.39	46%	0.46	S	S	.	.			trans	-77.3	179.4	170.2	70.3	2.2	0	0	0	112.5	G878 G879 E880 V882	D876-G878 PolarHBondContact O-N 2.87Å; D876-G878 VanDerWaalsContact O-N 3.09Å; D876-G878 VanDerWaalsContact OD1-C 3.27Å; D876-G878 WeakPolarHBondContact OD1-CA 3.31Å; D876-G878 PolarHBondContact OD1-N 3.45Å; D876-G879 PolarHBondContact O-N 3.36Å; D876-G879 PolarHBondContact OD1-N 3.35Å; D876-E880 PolarHBondContact N-O 3.44Å; D876-E880 PolarHBondContact OD1-N 3.49Å; D876-V882 HydrophobicContact CB-CG2 3.62Å
877	E	42.4	Very low	55	Low	193 Å²	193	73.1 Å²	73.1	90%	0.902	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.2	173.8	-59.6	-174.5	156.1	0	0	113.6
878	G	50.9	Low	55.4	Low	69 Å²	69	70.8 Å²	70.8	71%	0.711	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.9	175.3	0	0	0	0	0	114.5	D876	D876-G878 PolarHBondContact O-N 2.87Å; D876-G878 VanDerWaalsContact O-N 3.09Å; D876-G878 VanDerWaalsContact OD1-C 3.27Å; D876-G878 WeakPolarHBondContact OD1-CA 3.31Å; D876-G878 PolarHBondContact OD1-N 3.45Å
879	G	48.5	Very low	55.4	Low	53 Å²	53	73.5 Å²	73.5	55%	0.546	42%	0.42	S	S	.	.	S	Bend	trans	80.7	12.9	-174.1	0	0	0	0	0	114.6	D876	D876-G879 PolarHBondContact O-N 3.36Å; D876-G879 PolarHBondContact OD1-N 3.35Å
880	E	58.6	Low	55.8	Low	148 Å²	148	78 Å²	78	69%	0.692	44%	0.442	S	S	*	.			trans	-81.7	135.5	170.3	-63.1	-158.7	163.3	0	0	110.1	T875 D876 V882	T875-E880 CarbonylContact C-O 3.57Å; T875-E880 VanDerWaalsContact CA-O 3.23Å; T875-E880 WeakPolarHBondContact CA-O 3.1Å; D876-E880 PolarHBondContact N-O 3.44Å; D876-E880 PolarHBondContact OD1-N 3.49Å; E880-V882 PolarHBondContact O-N 3.44Å; E880-V882 VanDerWaalsContact O-N 3.14Å
881	V	61	Low	55.8	Low	81 Å²	81	78.8 Å²	78.8	49%	0.491	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	107.8	178.2	-179.5	0	0	0	0	109.2	D873 V874 T875 Q884	D873-V881 HydrophobicContact CB-CG1 4.05Å; D873-V881 HydrophobicContact CB-CG2 4.24Å; V874-V881 CarbonylContact O-C 3.57Å; V874-V881 WeakPolarHBondContact O-CA 3.23Å; T875-V881 HydrophobicContact CG2-CG2 4.09Å; V881-Q884 HydrophobicContact CG1-CB 4.44Å
882	V	62.3	Low	55.7	Low	97 Å²	97	86.7 Å²	86.7	59%	0.588	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	-38.3	179.6	-165.6	0	0	0	0	110.8	V874 D876 E880	V874-V882 PolarHBondContact O-N 2.89Å; D876-V882 HydrophobicContact CB-CG2 3.62Å; E880-V882 PolarHBondContact O-N 3.44Å; E880-V882 VanDerWaalsContact O-N 3.14Å
883	Q	52.9	Low	55.4	Low	88 Å²	88	88.3 Å²	88.3	41%	0.411	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	136.6	-177.3	-164.1	152	-25.2	0	0	111.7	V874 F885	V874-Q883 HydrophobicContact CB-CB 4.39Å; V874-Q883 PolarHBondContact N-O 2.84Å; V874-Q883 PolarHBondContact O-N 3.14Å; Q883-F885 HydrophobicContact CG-CE2 4.43Å; Q883-F885 HydrophobicContact CG-CZ 4.41Å
884	Q	60.2	Low	54.9	Low	97 Å²	97	94.1 Å²	94.1	45%	0.453	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.6	-179	174.7	165.6	56.4	0	0	109.5	T871 D873 V881	T871-Q884 HydrophobicContact CG2-CG 4.2Å; T871-Q884 PolarHBondContact OG1-NE2 3.25Å; D873-Q884 WeakPolarHBondContact OD1-CG 3.45Å; D873-Q884 PolarHBondContact OD1-NE2 3.39Å; V881-Q884 HydrophobicContact CG1-CB 4.44Å
885	F	55.2	Low	54.5	Low	29 Å²	29	101.6 Å²	101.6	13%	0.127	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.3	172.9	-60.3	-89.2	0	0	0	109.7	T871 I872 V874 Q883 M901 P909 L911	T871-F885 CarbonylContact C-O 3.56Å; T871-F885 WeakPolarHBondContact CA-O 3.34Å; T871-F885 WeakPolarHBondContact CB-O 3.47Å; I872-F885 HydrophobicContact CB-CB 4.29Å; I872-F885 HydrophobicContact CB-CD2 4.43Å; I872-F885 PolarHBondContact N-O 3.39Å; I872-F885 PolarHBondContact O-N 3Å; V874-F885 HydrophobicContact CG2-CD2 4.34Å; V874-F885 HydrophobicContact CG2-CE2 3.79Å; Q883-F885 HydrophobicContact CG-CE2 4.43Å; Q883-F885 HydrophobicContact CG-CZ 4.41Å; F885-M901 HydrophobicContact CE2-SD 4.3Å; F885-M901 HydrophobicContact CZ-SD 4.33Å; F885-P909 HydrophobicContact CZ-CB 3.94Å; F885-P909 HydrophobicContact CZ-CG 3.74Å; F885-L911 HydrophobicContact CD1-CD1 4.43Å
886	I	62.3	Low	54.2	Low	121 Å²	121	100.9 Å²	100.9	62%	0.621	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.7	171.5	-56.3	172.3	0	0	0	107.1	T871	T871-I886 HydrophobicContact CG2-CG1 4.27Å
887	L	58.4	Low	54	Low	30 Å²	30	99.4 Å²	99.4	16%	0.157	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.7	171.5	-71.7	155.7	0	0	0	108.4	T870 I872 L891 L899	T870-L887 PolarHBondContact O-N 3.26Å; T870-L887 WeakPolarHBondContact OG1-CB 3.25Å; I872-L887 HydrophobicContact CD1-CD1 4.09Å; I872-L887 HydrophobicContact CD1-CD2 4.38Å; I872-L887 HydrophobicContact CD1-CG 4.37Å; I872-L887 HydrophobicContact CG1-CD1 3.97Å; I872-L887 HydrophobicContact CG1-CG 4.48Å; L887-L891 HydrophobicContact CD2-CD2 3.73Å; L887-L899 HydrophobicContact CD2-CD2 3.82Å
888	P	52.7	Low	54.8	Low	82 Å²	82	90.6 Å²	90.6	53%	0.532	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-63.8	135.3	172.2	-19.8	32.1	0	0	0	110.8	D890 L891	P888-D890 PolarHBondContact O-N 2.89Å; P888-L891 VanDerWaalsContact O-CB 3.26Å; P888-L891 WeakPolarHBondContact O-CB 3.43Å; P888-L891 PolarHBondContact O-N 3.42Å
889	D	51	Low	55.1	Low	118 Å²	118	89.7 Å²	89.7	63%	0.631	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19	178.1	-56.4	-29.2	0	0	0	112.7
890	D	54.7	Low	55.4	Low	150 Å²	150	88.9 Å²	88.9	80%	0.802	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	2	176.7	-62.4	-43.8	0	0	0	114.1	P888 Q892	P888-D890 PolarHBondContact O-N 2.89Å; D890-Q892 PolarHBondContact O-N 3.47Å
891	L	56.2	Low	55.4	Low	68 Å²	68	86.7 Å²	86.7	36%	0.356	45%	0.452	S	S	.	.			trans	-76.2	86.6	-175.6	-168.4	75.8	0	0	0	112.3	L887 P888 L899 I913	L887-L891 HydrophobicContact CD2-CD2 3.73Å; P888-L891 VanDerWaalsContact O-CB 3.26Å; P888-L891 WeakPolarHBondContact O-CB 3.43Å; P888-L891 PolarHBondContact O-N 3.42Å; L891-L899 HydrophobicContact CD2-CD1 4.5Å; L891-L899 HydrophobicContact CD2-CD2 4.38Å; L891-I913 HydrophobicContact CD1-CD1 4.25Å
892	Q	54.4	Low	55.4	Low	174 Å²	174	86.6 Å²	86.6	81%	0.813	45%	0.448	S	S	*	.			trans	-89.4	112.2	172.3	-61.9	-177.7	7.6	0	0	110.4	D890	D890-Q892 PolarHBondContact O-N 3.47Å
893	L	53.3	Low	54.9	Low	78 Å²	78	89.4 Å²	89.4	41%	0.408	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-85.9	129.2	169.2	-66.6	169	0	0	0	109.3	Q897 L899 I913	L893-Q897 HydrophobicContact CB-CB 4.32Å; L893-Q897 HydrophobicContact CD2-CB 4.11Å; L893-L899 HydrophobicContact CD1-CB 4.26Å; L893-I913 HydrophobicContact CD2-CD1 4.05Å; L893-I913 HydrophobicContact CD2-CG1 4.04Å; L893-I913 HydrophobicContact CD2-CG2 3.84Å
894	E	50.4	Low	54.8	Low	140 Å²	140	85.7 Å²	85.7	65%	0.654	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-75.2	160.4	173.8	-57.6	178.8	148.7	0	0	111.2	G896 Q897	E894-G896 PolarHBondContact O-N 2.94Å; E894-Q897 HydrophobicContact CB-CG 4.07Å; E894-Q897 WeakPolarHBondContact O-CB 3.36Å; E894-Q897 PolarHBondContact O-N 3.12Å; E894-Q897 PolarHBondContact OE2-NE2 3.25Å
895	E	45.8	Very low	54.3	Low	203 Å²	203	90.8 Å²	90.8	95%	0.949	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	126.8	171.9	-73.1	-175.8	161.3	0	0	110.1
896	G	49.8	Very low	53.7	Low	27 Å²	27	95 Å²	95	28%	0.278	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-2.4	-173.1	0	0	0	0	0	115.2	E894 N915 Q916	E894-G896 PolarHBondContact O-N 2.94Å; G896-N915 CarbonylContact O-C 3.55Å; G896-N915 WeakPolarHBondContact O-CA 3.41Å; G896-Q916 WeakPolarHBondContact O-CB 3.34Å; G896-Q916 WeakPolarHBondContact O-CG 3.32Å; G896-Q916 PolarHBondContact O-N 3.41Å
897	Q	53.8	Low	53	Low	42 Å²	42	91.1 Å²	91.1	20%	0.196	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.8	172.5	-64.7	-179.4	0.2	0	0	112	L893 E894 I913	L893-Q897 HydrophobicContact CB-CB 4.32Å; L893-Q897 HydrophobicContact CD2-CB 4.11Å; E894-Q897 HydrophobicContact CB-CG 4.07Å; E894-Q897 WeakPolarHBondContact O-CB 3.36Å; E894-Q897 PolarHBondContact O-N 3.12Å; E894-Q897 PolarHBondContact OE2-NE2 3.25Å; Q897-I913 HydrophobicContact CB-CG2 3.83Å; Q897-I913 HydrophobicContact CG-CG2 4.1Å
898	T	57.7	Low	52.4	Low	7 Å²	7	95.2 Å²	95.2	4%	0.043	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.7	176.9	-63.8	0	0	0	0	109.9	V900 V914 Q916 I941	T898-V900 HydrophobicContact CG2-CG2 4.02Å; T898-V914 PolarHBondContact N-O 2.97Å; T898-V914 PolarHBondContact O-N 3.27Å; T898-Q916 WeakPolarHBondContact OG1-CG 3.29Å; T898-Q916 PolarHBondContact OG1-NE2 3.38Å; T898-I941 HydrophobicContact CG2-CG2 4.33Å
899	L	57.2	Low	52.2	Low	51 Å²	51	93.3 Å²	93.3	27%	0.267	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.9	172.6	-166.6	73.6	0	0	0	109.4	L887 L891 L893 L911 A912 I913	L887-L899 HydrophobicContact CD2-CD2 3.82Å; L891-L899 HydrophobicContact CD2-CD1 4.5Å; L891-L899 HydrophobicContact CD2-CD2 4.38Å; L893-L899 HydrophobicContact CD1-CB 4.26Å; L899-L911 HydrophobicContact CD1-CB 4.28Å; L899-L911 HydrophobicContact CD2-CD1 4.45Å; L899-L911 HydrophobicContact CD2-CD2 4.19Å; L899-L911 HydrophobicContact CG-CD2 4.26Å; L899-A912 WeakPolarHBondContact CA-O 3.5Å; L899-I913 HydrophobicContact CD1-CG1 3.88Å
900	V	55.5	Low	52.3	Low	35 Å²	35	92.2 Å²	92.2	21%	0.212	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137	-176	-167.6	0	0	0	0	109.5	T898 I902 A912 V914	T898-V900 HydrophobicContact CG2-CG2 4.02Å; V900-I902 HydrophobicContact CG1-CG2 4.49Å; V900-A912 PolarHBondContact N-O 3.43Å; V900-A912 PolarHBondContact O-N 3.48Å; V900-V914 HydrophobicContact CB-CG2 4.22Å; V900-V914 HydrophobicContact CG2-CB 4.02Å; V900-V914 HydrophobicContact CG2-CG2 3.69Å
901	M	58.6	Low	52.4	Low	103 Å²	103	88.5 Å²	88.5	51%	0.507	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.3	170.6	-173.2	169.9	63.8	0	0	109.2	F885 P909 Q910 L911	F885-M901 HydrophobicContact CE2-SD 4.3Å; F885-M901 HydrophobicContact CZ-SD 4.33Å; M901-P909 HydrophobicContact CG-CB 3.79Å; M901-P909 HydrophobicContact SD-CB 3.62Å; M901-Q910 CarbonylContact C-O 3.5Å; M901-Q910 WeakPolarHBondContact CA-O 3.22Å; M901-L911 HydrophobicContact CB-CD2 4.46Å
902	I	61.9	Low	52.4	Low	78 Å²	78	86.4 Å²	86.4	40%	0.4	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	148.8	176.1	59.1	168.2	0	0	0	110.2	V900 P909 Q910 A912	V900-I902 HydrophobicContact CG1-CG2 4.49Å; I902-P909 WeakPolarHBondContact O-CA 3.49Å; I902-Q910 HydrophobicContact CG1-CB 4.04Å; I902-Q910 WeakPolarHBondContact CG1-O 3.38Å; I902-Q910 PolarHBondContact N-O 2.82Å; I902-Q910 PolarHBondContact O-N 3.03Å; I902-A912 HydrophobicContact CD1-CB 3.86Å; I902-A912 HydrophobicContact CG1-CB 4.07Å; I902-A912 HydrophobicContact CG2-CB 4.2Å
903	Q	50.5	Low	53	Low	157 Å²	157	82.3 Å²	82.3	73%	0.734	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	113.4	172.4	-165	168.5	29.1	0	0	108.9	G907	Q903-G907 PolarHBondContact NE2-O 3.5Å
904	G	52.3	Low	53.1	Low	9 Å²	9	80.3 Å²	80.3	9%	0.093	42%	0.421	C	S	.	.			trans	-69.5	164.9	176.1	0	0	0	0	0	112	N906 G907 Q908	G904-N906 PolarHBondContact O-N 3.47Å; G904-G907 WeakPolarHBondContact O-CA 3.49Å; G904-G907 PolarHBondContact O-N 2.74Å; G904-Q908 PolarHBondContact N-O 2.92Å
905	E	48.6	Very low	53.4	Low	205 Å²	205	77.4 Å²	77.4	96%	0.958	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.9	-177.9	-59.5	179.6	155.2	0	0	113.9	G907	E905-G907 VanDerWaalsContact C-N 3.3Å; E905-G907 PolarHBondContact O-N 3.3Å
906	N	42.7	Very low	53.8	Low	116 Å²	116	70.9 Å²	70.9	62%	0.62	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	4.1	177.4	-55	-16.8	0	0	0	113.7	G904 Q908	G904-N906 PolarHBondContact O-N 3.47Å; N906-Q908 HydrophobicContact CB-CG 4.48Å; N906-Q908 PolarHBondContact O-N 3.12Å
907	G	48	Very low	53.7	Low	41 Å²	41	73.6 Å²	73.6	42%	0.423	40%	0.399	S	S	.	.	S	Bend	trans	74.3	-5.1	-169.5	0	0	0	0	0	114.7	Q903 G904 E905	Q903-G907 PolarHBondContact NE2-O 3.5Å; G904-G907 WeakPolarHBondContact O-CA 3.49Å; G904-G907 PolarHBondContact O-N 2.74Å; E905-G907 VanDerWaalsContact C-N 3.3Å; E905-G907 PolarHBondContact O-N 3.3Å
908	Q	46.2	Very low	53.4	Low	115 Å²	115	77.8 Å²	77.8	54%	0.537	42%	0.423	S	S	.	.			trans	-79.3	137.2	179.5	-72.1	-174.5	-35.1	0	0	111.9	G904 N906	G904-Q908 PolarHBondContact N-O 2.92Å; N906-Q908 HydrophobicContact CB-CG 4.48Å; N906-Q908 PolarHBondContact O-N 3.12Å
909	P	47.2	Very low	52.8	Low	43 Å²	43	79.6 Å²	79.6	28%	0.279	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.1	171.9	26.6	-34.6	0	0	0	111.8	F885 M901 I902	F885-P909 HydrophobicContact CZ-CB 3.94Å; F885-P909 HydrophobicContact CZ-CG 3.74Å; M901-P909 HydrophobicContact CG-CB 3.79Å; M901-P909 HydrophobicContact SD-CB 3.62Å; I902-P909 WeakPolarHBondContact O-CA 3.49Å
910	Q	52.8	Low	51.9	Low	95 Å²	95	81.5 Å²	81.5	44%	0.444	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.7	174.1	-63.3	179.7	-8.1	0	0	109.2	M901 I902	M901-Q910 CarbonylContact C-O 3.5Å; M901-Q910 WeakPolarHBondContact CA-O 3.22Å; I902-Q910 HydrophobicContact CG1-CB 4.04Å; I902-Q910 WeakPolarHBondContact CG1-O 3.38Å; I902-Q910 PolarHBondContact N-O 2.82Å; I902-Q910 PolarHBondContact O-N 3.03Å
911	L	58.4	Low	51.2	Low	72 Å²	72	83 Å²	83	38%	0.377	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.8	174.8	-67.3	170.8	0	0	0	109.9	F885 L899 M901	F885-L911 HydrophobicContact CD1-CD1 4.43Å; L899-L911 HydrophobicContact CD1-CB 4.28Å; L899-L911 HydrophobicContact CD2-CD1 4.45Å; L899-L911 HydrophobicContact CD2-CD2 4.19Å; L899-L911 HydrophobicContact CG-CD2 4.26Å; M901-L911 HydrophobicContact CB-CD2 4.46Å
912	A	54.7	Low	50.8	Low	24 Å²	24	86.4 Å²	86.4	20%	0.198	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.5	175.6	0	0	0	0	0	110.4	L899 V900 I902	L899-A912 WeakPolarHBondContact CA-O 3.5Å; V900-A912 PolarHBondContact N-O 3.43Å; V900-A912 PolarHBondContact O-N 3.48Å; I902-A912 HydrophobicContact CD1-CB 3.86Å; I902-A912 HydrophobicContact CG1-CB 4.07Å; I902-A912 HydrophobicContact CG2-CB 4.2Å
913	I	67.9	Low	50.2	Low	87 Å²	87	89.2 Å²	89.2	45%	0.446	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123	172.2	-56.4	173.3	0	0	0	107.2	L891 L893 Q897 L899	L891-I913 HydrophobicContact CD1-CD1 4.25Å; L893-I913 HydrophobicContact CD2-CD1 4.05Å; L893-I913 HydrophobicContact CD2-CG1 4.04Å; L893-I913 HydrophobicContact CD2-CG2 3.84Å; Q897-I913 HydrophobicContact CB-CG2 3.83Å; Q897-I913 HydrophobicContact CG-CG2 4.1Å; L899-I913 HydrophobicContact CD1-CG1 3.88Å
914	V	56.1	Low	49.8	Very low	37 Å²	37	88.7 Å²	88.7	22%	0.224	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.4	-175.9	-176.8	0	0	0	0	109	T898 V900 L919	T898-V914 PolarHBondContact N-O 2.97Å; T898-V914 PolarHBondContact O-N 3.27Å; V900-V914 HydrophobicContact CB-CG2 4.22Å; V900-V914 HydrophobicContact CG2-CB 4.02Å; V900-V914 HydrophobicContact CG2-CG2 3.69Å; V914-L919 HydrophobicContact CG1-CD1 3.92Å; V914-L919 HydrophobicContact CG1-CG 4.06Å
915	N	55.6	Low	49.5	Very low	78 Å²	78	92.5 Å²	92.5	42%	0.417	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.7	172.8	-96.8	-20.8	0	0	0	110.3	G896 A917 D918	G896-N915 CarbonylContact O-C 3.55Å; G896-N915 WeakPolarHBondContact O-CA 3.41Å; N915-A917 PolarHBondContact O-N 2.98Å; N915-A917 VanDerWaalsContact O-N 3.16Å; N915-D918 WeakPolarHBondContact CB-OD2 3.43Å; N915-D918 WeakPolarHBondContact O-CB 3.38Å; N915-D918 PolarHBondContact O-N 3.22Å
916	Q	53.4	Low	49	Very low	67 Å²	67	89.1 Å²	89.1	31%	0.313	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-59.8	-26.3	176.7	-71.5	170.5	18.3	0	0	112.3	G896 T898 D918 L919 I920	G896-Q916 WeakPolarHBondContact O-CB 3.34Å; G896-Q916 WeakPolarHBondContact O-CG 3.32Å; G896-Q916 PolarHBondContact O-N 3.41Å; T898-Q916 WeakPolarHBondContact OG1-CG 3.29Å; T898-Q916 PolarHBondContact OG1-NE2 3.38Å; Q916-D918 PolarHBondContact O-N 2.88Å; Q916-L919 PolarHBondContact O-N 2.89Å; Q916-I920 WeakPolarHBondContact O-CD1 3.42Å; Q916-I920 WeakPolarHBondContact O-CG1 3.42Å
917	A	49.2	Very low	48.9	Very low	84 Å²	84	87.8 Å²	87.8	69%	0.694	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-64.1	-22.1	173.7	0	0	0	0	0	113.8	N915	N915-A917 PolarHBondContact O-N 2.98Å; N915-A917 VanDerWaalsContact O-N 3.16Å
918	D	47.4	Very low	48.3	Very low	129 Å²	129	90.4 Å²	90.4	69%	0.69	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-89.4	-2.6	-179.7	-60.1	-45.3	0	0	0	112.9	N915 Q916	N915-D918 WeakPolarHBondContact CB-OD2 3.43Å; N915-D918 WeakPolarHBondContact O-CB 3.38Å; N915-D918 PolarHBondContact O-N 3.22Å; Q916-D918 PolarHBondContact O-N 2.88Å
919	L	45.4	Very low	48	Very low	46 Å²	46	89.3 Å²	89.3	24%	0.241	49%	0.493	C	S	.	.	S	Bend	trans	-112.5	2.6	-173.4	-71.5	169.1	0	0	0	114.4	V914 Q916 I927	V914-L919 HydrophobicContact CG1-CD1 3.92Å; V914-L919 HydrophobicContact CG1-CG 4.06Å; Q916-L919 PolarHBondContact O-N 2.89Å; L919-I927 HydrophobicContact CB-CG2 4.46Å; L919-I927 HydrophobicContact CD2-CG2 4.18Å
920	I	38.3	Very low	47.4	Very low	91 Å²	91	94.8 Å²	94.8	47%	0.467	52%	0.515	S	S	.	.			trans	-117.8	118.3	-170.6	-59.9	168.6	0	0	0	110.4	Q916 N924	Q916-I920 WeakPolarHBondContact O-CD1 3.42Å; Q916-I920 WeakPolarHBondContact O-CG1 3.42Å; I920-N924 WeakPolarHBondContact CG2-OD1 3.19Å
921	N	40.3	Very low	46.7	Very low	66 Å²	66	94.7 Å²	94.7	35%	0.353	52%	0.521	S	S	.	.			trans	-65.9	155.7	168.5	-79.5	-31.7	0	0	0	111.6	N923 N924	N921-N923 PolarHBondContact O-N 3.2Å; N921-N924 PolarHBondContact O-N 2.89Å
922	D	50	Low	45.5	Very low	174 Å²	174	97 Å²	97	93%	0.93	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-6.7	179.7	-71.6	-40.2	0	0	0	116.7
923	N	48.9	Very low	44.5	Very low	138 Å²	138	101.8 Å²	101.8	74%	0.738	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	8.6	179.8	-70.4	-26.1	0	0	0	114.7	N921 S925	N921-N923 PolarHBondContact O-N 3.2Å; N923-S925 PolarHBondContact O-N 3.24Å; N923-S925 VanDerWaalsContact O-N 3.11Å; N923-S925 PolarHBondContact O-OG 2.95Å
924	N	41.6	Very low	43	Very low	145 Å²	145	102 Å²	102	78%	0.775	58%	0.58	S	S	*	*	S	Bend	trans	56.5	22.8	176.3	-80.1	0.4	0	0	0	116.4	I920 N921	I920-N924 WeakPolarHBondContact CG2-OD1 3.19Å; N921-N924 PolarHBondContact O-N 2.89Å
925	S	47.1	Very low	41.9	Very low	90 Å²	90	107.7 Å²	107.7	63%	0.629	60%	0.604	S	S	*	*	S	Bend	trans	-125.8	-17.2	-166.4	56.9	0	0	0	0	117.1	N923	N923-S925 PolarHBondContact O-N 3.24Å; N923-S925 VanDerWaalsContact O-N 3.11Å; N923-S925 PolarHBondContact O-OG 2.95Å
926	E	37.7	Very low	40.8	Very low	134 Å²	134	108.5 Å²	108.5	63%	0.626	62%	0.621	S	S	*	*			trans	-144.9	137.2	-174.8	-66.4	-177.7	159.3	0	0	112.3
927	I	39.8	Very low	39.7	Very low	87 Å²	87	111.7 Å²	111.7	45%	0.446	64%	0.641	S	S	.	*			trans	-92.2	119.1	171.4	-62.3	174.6	0	0	0	108	L919 V929 I941	L919-I927 HydrophobicContact CB-CG2 4.46Å; L919-I927 HydrophobicContact CD2-CG2 4.18Å; I927-V929 HydrophobicContact CG2-CG2 4.45Å; I927-V929 PolarHBondContact O-N 2.65Å; I927-I941 HydrophobicContact CD1-CD1 3.67Å; I927-I941 HydrophobicContact CG2-CD1 4.17Å
928	L	37.3	Very low	38.8	Very low	96 Å²	96	115.4 Å²	115.4	50%	0.503	65%	0.649	S	S	.	*			trans	-89.6	86.4	-170.6	-155.4	102.3	0	0	0	112.6	Q930	L928-Q930 HydrophobicContact CG-CG 4.45Å
929	V	38.7	Very low	38.2	Very low	93 Å²	93	114.2 Å²	114.2	56%	0.564	64%	0.641	S	S	*	*			trans	-106.2	90.5	163.3	-175.8	0	0	0	0	108.8	I927	I927-V929 HydrophobicContact CG2-CG2 4.45Å; I927-V929 PolarHBondContact O-N 2.65Å
930	Q	35.7	Very low	37.6	Very low	157 Å²	157	118.2 Å²	118.2	73%	0.734	66%	0.662	S	S	*	*			trans	-96.5	108.4	168.4	-74	-176.5	-13.6	0	0	109	L928	L928-Q930 HydrophobicContact CG-CG 4.45Å
931	T	38	Very low	37.4	Very low	94 Å²	94	117.7 Å²	117.7	58%	0.577	66%	0.66	S	S	*	*			trans	-86.1	128.2	167.1	44.3	0	0	0	0	109.7	N933	T931-N933 PolarHBondContact O-N 3.02Å
932	D	32.3	Very low	36.9	Very low	119 Å²	119	122.6 Å²	122.6	64%	0.636	67%	0.674	S	S	*	*	S	Bend	trans	-72.3	31.8	179	-69.9	-31.5	0	0	0	113.7
933	N	34.8	Very low	36.1	Very low	126 Å²	126	119 Å²	119	67%	0.674	66%	0.659	S	S	*	*	S	Bend	trans	-155.2	136	170.6	-81.5	-55.9	0	0	0	109.1	T931 E935	T931-N933 PolarHBondContact O-N 3.02Å; N933-E935 PolarHBondContact O-N 2.9Å
934	G	34.9	Very low	35.1	Very low	92 Å²	92	120.6 Å²	120.6	95%	0.948	67%	0.667	S	S	*	*	S	Bend	trans	-74.8	40.9	-173.2	0	0	0	0	0	116
935	E	34.3	Very low	34.6	Very low	155 Å²	155	117.1 Å²	117.1	72%	0.724	67%	0.665	S	S	*	*			trans	-116.4	97.6	173.3	-67.9	-176.4	167.7	0	0	108.2	N933 N937	N933-E935 PolarHBondContact O-N 2.9Å; E935-N937 PolarHBondContact O-N 3.38Å
936	A	31.6	Very low	33.8	Very low	95 Å²	95	120.4 Å²	120.4	79%	0.785	68%	0.675	S	S	*	*			trans	-76.9	109.9	177.3	0	0	0	0	0	109.6
937	N	30.1	Very low	33.4	Very low	134 Å²	134	122.5 Å²	122.5	72%	0.717	69%	0.685	S	S	*	*			trans	-102.8	127.9	166	-69.5	-45.7	0	0	0	108.3	E935 I939	E935-N937 PolarHBondContact O-N 3.38Å; N937-I939 PolarHBondContact O-N 3.04Å
938	D	31.4	Very low	32.9	Very low	162 Å²	162	124.4 Å²	124.4	87%	0.866	70%	0.701	S	S	*	*			trans	-64.1	120.6	-169.5	-63.5	-57.9	0	0	0	113
939	I	34.6	Very low	32.4	Very low	104 Å²	104	128.3 Å²	128.3	53%	0.533	72%	0.716	S	S	.	*			trans	-109.4	108.5	172	-61.1	178	0	0	0	108.8	N937	N937-I939 PolarHBondContact O-N 3.04Å
940	L	31.9	Very low	31.9	Very low	131 Å²	131	130 Å²	130	69%	0.686	73%	0.726	S	S	*	*			trans	-84.8	135	175.3	-75.8	163.7	0	0	0	111.1
941	I	34.4	Very low	31.6	Very low	79 Å²	79	130.7 Å²	130.7	41%	0.405	73%	0.73	S	S	.	*			trans	-114.3	128.4	-179.5	-57.6	176	0	0	0	109	T898 I927	T898-I941 HydrophobicContact CG2-CG2 4.33Å; I927-I941 HydrophobicContact CD1-CD1 3.67Å; I927-I941 HydrophobicContact CG2-CD1 4.17Å
942	Y	29.1	Very low	31	Very low	170 Å²	170	131.3 Å²	131.3	67%	0.667	74%	0.738	S	S	*	*			trans	-111	133.2	173.5	-77.2	-87.7	0	0	0	110.6
943	T	33.4	Very low	30.8	Very low	97 Å²	97	131.8 Å²	131.8	60%	0.595	75%	0.751	S	S	*	*			trans	-128	130.6	173.3	54	0	0	0	0	110
944	N	29.5	Very low	30.4	Very low	173 Å²	173	129.2 Å²	129.2	93%	0.925	75%	0.754	S	S	*	*			trans	-94.1	105.2	177.3	-143.8	12.8	0	0	0	108.6
945	G	31.2	Very low	30.1	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	75%	0.75	S	S	*	*			trans	-121.9	120.6	-178.4	0	0	0	0	0	111
946	L	30.2	Very low	29.6	Very low	160 Å²	160	135.7 Å²	135.7	84%	0.838	75%	0.754	S	S	*	*			trans	-129.2	64.7	-177.4	-150.8	154.6	0	0	0	110.4
947	E	28.9	Very low	29.4	Very low	178 Å²	178	134.4 Å²	134.4	83%	0.832	75%	0.75	S	S	*	*			trans	-80.8	137.6	166.9	-71.4	-163.2	131.2	0	0	110.7
948	T	28.9	Very low	29.6	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	76%	0.756	S	S	*	*			trans	-142.5	99	167.1	-54.3	0	0	0	0	109.5
949	Q	26.3	Very low	29.5	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	76%	0.756	S	S	*	*			trans	-115	122.2	163	-68.4	-170.3	33.7	0	0	109.4
950	V	29.3	Very low	29.5	Very low	128 Å²	128	140.4 Å²	140.4	78%	0.776	77%	0.767	S	S	*	*			trans	-144.6	107.3	153.6	-177	0	0	0	0	110.6
951	E	28.4	Very low	29.4	Very low	173 Å²	173	142.9 Å²	142.9	81%	0.808	77%	0.774	S	S	*	*			trans	44	116.7	139.4	-53.5	-170.7	143.5	0	0	123.2
952	S	26	Very low	29.6	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	79%	0.789	S	S	*	*			trans	0.2	119.5	138.6	53.8	0	0	0	0	121.1
953	S	28.5	Very low	29.8	Very low	129 Å²	129	146.7 Å²	146.7	90%	0.902	79%	0.794	S	S	*	*			trans	-161.7	127.8	132.1	-84.7	0	0	0	0	109.9
954	G	25.1	Very low	30	Very low	71 Å²	71	150 Å²	150	73%	0.732	81%	0.808	S	S	*	*			trans	-90.9	160.7	-167.6	0	0	0	0	0	115.3
955	L	28.2	Very low	30.2	Very low	165 Å²	165	149.4 Å²	149.4	86%	0.864	80%	0.8	S	S	*	*			trans	-178.2	106	139.2	-98.6	165.8	0	0	0	112.7
956	R	25.5	Very low	30.4	Very low	219 Å²	219	153.3 Å²	153.3	83%	0.826	80%	0.799	S	S	*	*				57.5	110	126.9	-163.5	-179	-163.3	-79.9	-2.2	121.2
957	G	26.8	Very low	30.8	Very low	68 Å²	68	156 Å²	156	70%	0.701	80%	0.804	S	S	*	*			trans	88.3	154.4	154.8	0	0	0	0	0	115.2
958	E	33.2	Very low	31	Very low	179 Å²	179	154.1 Å²	154.1	84%	0.836	80%	0.799	S	S	*	*			cis	-151	174.9	0.5	-104.1	161.6	-168	0	0	109.5
959	E	29.3	Very low	31.2	Very low	184 Å²	184	160.4 Å²	160.4	86%	0.86	82%	0.823	S	S	*	*			trans	-61.4	152.4	-174.3	-58.1	152.7	160	0	0	114.8
960	E	34.7	Very low	31.5	Very low	163 Å²	163	159.6 Å²	159.6	76%	0.762	82%	0.822	S	S	*	*				-173	132.7	115.1	-100.5	-156.2	136.6	0	0	112.9	K962	E960-K962 IonicContact OE1-NZ 3.56Å; E960-K962 PolarHBondContact OE1-NZ 2.79Å; E960-K962 IonicContact OE2-NZ 2.65Å; E960-K962 PolarHBondContact OE2-NZ 3.36Å
961	E	31.3	Very low	31.6	Very low	182 Å²	182	161.2 Å²	161.2	85%	0.85	82%	0.824	S	S	*	*			trans	-77.4	150.8	164.8	-57.2	166.1	124.1	0	0	110.6
962	K	38	Very low	31.7	Very low	164 Å²	164	160.6 Å²	160.6	71%	0.713	83%	0.825	S	S	*	*			trans	-163.3	138.5	139.6	-104.1	135.2	-154.4	151.7	0	114.7	E960	E960-K962 IonicContact OE1-NZ 3.56Å; E960-K962 PolarHBondContact OE1-NZ 2.79Å; E960-K962 IonicContact OE2-NZ 2.65Å; E960-K962 PolarHBondContact OE2-NZ 3.36Å
963	E	33.4	Very low	32.1	Very low	166 Å²	166	163.7 Å²	163.7	78%	0.776	83%	0.83	S	S	*	*			trans	-62.8	157.6	176	-53.9	150.3	113.4	0	0	112.8
964	N	36.7	Very low	32.3	Very low	165 Å²	165	165.9 Å²	165.9	88%	0.882	83%	0.825	S	S	*	*				-162.7	139.2	110.9	-103.2	-51.1	0	0	0	113.2
965	Q	34.6	Very low	32.8	Very low	162 Å²	162	172.2 Å²	172.2	76%	0.757	83%	0.832	S	S	*	*			trans	-91.7	173.7	175.6	-63.5	-179.3	-10.8	0	0	112
966	Q	35.6	Very low	33.1	Very low	153 Å²	153	172.7 Å²	172.7	72%	0.715	83%	0.829	S	S	*	*			trans	70.6	116.8	154.2	-73.5	171.9	-7.2	0	0	118.6
967	F	38	Very low	33.7	Very low	215 Å²	215	169.2 Å²	169.2	94%	0.943	83%	0.83	S	S	*	*				-137.4	131.4	113.2	-112.2	-83.3	0	0	0	110
968	I	32.5	Very low	34.3	Very low	140 Å²	140	177.6 Å²	177.6	72%	0.718	84%	0.84	S	S	*	*			trans	-102.7	139.8	168.9	-70.1	172.7	0	0	0	107.7
969	M	34	Very low	34.4	Very low	258 Å²	258	177.5 Å²	177.5	100%	1.271	84%	0.841	S	S	*	*			trans	-135.5	0	144.4	-121.3	-175	-178.7	0	0	108.9

Retrieved 969 of 969 residues in 946.1 ms (Link to these results)

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