A0A3Q0KC05_SCHMA Loading...

Carbohydrate deacetylase AlphaSync

Probably catalyzes the deacetylation of acetylated carbohydrates an important step in the degradation of oligosaccharides.

AlphaFold DB , UniProt , Accession A0A3Q0KC05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 aa.

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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	41.6	Very low	41	Very low	227 Å²	227	134.9 Å²	134.9	100%	1.118	68%	0.683	S	S	*	*				0	-21.7	0	-103.1	177.5	-89.4	0	0	113.9
2	N	41.2	Very low	41.1	Very low	143 Å²	143	137.4 Å²	137.4	77%	0.765	69%	0.686	S	S	*	*			trans	-91.7	-4.4	-177.7	-83.2	-9.7	0	0	0	117.3
3	E	41.7	Very low	40.5	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	69%	0.687	S	S	*	*	S	Bend	trans	-91.2	-21.7	179.5	-73.4	-173	164.7	0	0	114.4
4	R	42.1	Very low	40.3	Very low	225 Å²	225	136.6 Å²	136.6	85%	0.849	69%	0.688	S	S	*	*	H	α-helix	trans	-78.6	-15.9	178.6	-75.7	-170	178.7	-172	-0.5	114.3
5	F	41.2	Very low	40.2	Very low	153 Å²	153	135.3 Å²	135.3	67%	0.671	68%	0.677	S	S	*	*	H	α-helix	trans	-81	-30.6	178.1	-112.2	-88.8	0	0	0	112.8
6	N	39.4	Very low	39.8	Very low	115 Å²	115	135.9 Å²	135.9	62%	0.615	68%	0.676	S	S	*	*	H	α-helix	trans	-76.1	-24.8	-178.5	-76.3	-23.2	0	0	0	113.5	S10	N6-S10 PolarHBondContact O-N 3.36Å
7	S	42.9	Very low	39.7	Very low	77 Å²	77	139.6 Å²	139.6	54%	0.538	69%	0.688	S	S	.	*	H	α-helix	trans	-75	-29.8	175.9	81.6	0	0	0	0	112.8	Q11	S7-Q11 PolarHBondContact O-N 3.18Å
8	A	43	Very low	39.4	Very low	51 Å²	51	141.3 Å²	141.3	42%	0.421	69%	0.685	S	S	.	*	H	α-helix	trans	-70.1	-39.6	176.6	0	0	0	0	0	111.6	Q11 F12	A8-Q11 PolarHBondContact O-N 3.4Å; A8-F12 PolarHBondContact O-N 3.45Å
9	I	39.4	Very low	39.2	Very low	88 Å²	88	142.7 Å²	142.7	45%	0.451	69%	0.688	S	S	.	*	H	α-helix	trans	-72.9	-34.4	178.8	-61	172.8	0	0	0	111.1	Q11 F12 F13	I9-Q11 VanDerWaalsContact C-N 3.3Å; I9-Q11 PolarHBondContact O-N 3.5Å; I9-F12 WeakPolarHBondContact O-CB 3.49Å; I9-F12 PolarHBondContact O-N 3.46Å; I9-F13 HydrophobicContact CG2-CD2 4.28Å; I9-F13 HydrophobicContact CG2-CE2 4.1Å; I9-F13 PolarHBondContact O-N 3.37Å
10	S	38.5	Very low	39.3	Very low	81 Å²	81	143.8 Å²	143.8	57%	0.566	70%	0.696	S	S	*	*	H	α-helix	trans	-66.4	-28.6	176.4	-175.8	0	0	0	0	113.5	N6	N6-S10 PolarHBondContact O-N 3.36Å
11	Q	40.4	Very low	39.7	Very low	144 Å²	144	144.1 Å²	144.1	67%	0.673	70%	0.7	S	S	*	*	H	α-helix	trans	-78.6	-23.6	174.2	-88.6	179	-22.6	0	0	113	S7 A8 I9	S7-Q11 PolarHBondContact O-N 3.18Å; A8-Q11 PolarHBondContact O-N 3.4Å; I9-Q11 VanDerWaalsContact C-N 3.3Å; I9-Q11 PolarHBondContact O-N 3.5Å
12	F	41.6	Very low	40	Very low	165 Å²	165	135.7 Å²	135.7	72%	0.724	66%	0.659	S	S	*	*	H	α-helix	trans	-68.5	-32.1	175.2	-103.9	-90.3	0	0	0	113	A8 I9 C14	A8-F12 PolarHBondContact O-N 3.45Å; I9-F12 WeakPolarHBondContact O-CB 3.49Å; I9-F12 PolarHBondContact O-N 3.46Å; F12-C14 PolarHBondContact O-N 3.18Å
13	F	33.8	Very low	40.7	Very low	159 Å²	159	137.1 Å²	137.1	70%	0.697	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-77.2	-15.3	-179.1	-85.1	-79.7	0	0	0	114.7	I9 F15	I9-F13 HydrophobicContact CG2-CD2 4.28Å; I9-F13 HydrophobicContact CG2-CE2 4.1Å; I9-F13 PolarHBondContact O-N 3.37Å; F13-F15 PolarHBondContact O-N 3.47Å
14	C	37	Very low	41.4	Very low	104 Å²	104	131.4 Å²	131.4	70%	0.703	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-75	-9.5	175.5	-76	0	0	0	0	113.9	F12 H16	F12-C14 PolarHBondContact O-N 3.18Å; C14-H16 VanDerWaalsContact C-N 3.33Å; C14-H16 PolarHBondContact O-N 3.35Å
15	F	39.1	Very low	42.1	Very low	118 Å²	118	129.3 Å²	129.3	52%	0.518	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-80.2	-7.7	179.5	-83.4	-83.4	0	0	0	114.7	F13 F17	F13-F15 PolarHBondContact O-N 3.47Å; F15-F17 VanDerWaalsContact C-N 3.25Å; F15-F17 PolarHBondContact O-N 3.3Å
16	H	34.3	Very low	42.6	Very low	144 Å²	144	129.9 Å²	129.9	67%	0.667	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-73.3	-10.7	179.2	-100.4	47.7	0	0	0	114.9	C14	C14-H16 VanDerWaalsContact C-N 3.33Å; C14-H16 PolarHBondContact O-N 3.35Å
17	F	37.7	Very low	43.2	Very low	200 Å²	200	126 Å²	126	88%	0.877	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-93.3	-4.6	-179	-109.9	-90	0	0	0	115.3	F15	F15-F17 VanDerWaalsContact C-N 3.25Å; F15-F17 PolarHBondContact O-N 3.3Å
18	W	34.3	Very low	43.6	Very low	170 Å²	170	128 Å²	128	64%	0.644	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-101.6	21.9	178.3	-121	34.1	0	0	0	113.5	L20 F31	W18-L20 VanDerWaalsContact C-N 3.35Å; W18-L20 PolarHBondContact O-N 3.46Å; W18-F31 HydrophobicContact CE3-CD2 4.48Å; W18-F31 HydrophobicContact CE3-CE2 4.44Å
19	F	35.9	Very low	44.1	Very low	168 Å²	168	129.6 Å²	129.6	74%	0.737	63%	0.625	S	S	*	*	S	Bend	trans	-80.8	-6.9	-176.2	-118	-85.4	0	0	0	114.9
20	L	41.7	Very low	44.9	Very low	163 Å²	163	129.6 Å²	129.6	85%	0.853	63%	0.625	S	S	*	*	S	Bend	trans	-121.1	4.7	-163.8	-85.6	161.2	0	0	0	116.8	W18	W18-L20 VanDerWaalsContact C-N 3.35Å; W18-L20 PolarHBondContact O-N 3.46Å
21	I	47.2	Very low	45.6	Very low	151 Å²	151	128.3 Å²	128.3	77%	0.774	61%	0.609	S	S	*	*			trans	-141.3	64.2	-179.1	-43	177.5	0	0	0	111.8
22	L	48	Very low	46.2	Very low	50 Å²	50	127.7 Å²	127.7	26%	0.262	61%	0.606	S	S	.	*			trans	-134.2	72.3	165.7	-59.5	177.3	0	0	0	108.9	S24 S27 F31	L22-S24 PolarHBondContact O-N 2.81Å; L22-S27 WeakPolarHBondContact CD2-OG 3.2Å; L22-F31 HydrophobicContact CD1-CB 3.89Å; L22-F31 HydrophobicContact CD1-CD2 4.42Å; L22-F31 HydrophobicContact CD1-CG 4.18Å
23	D	55.8	Low	46.8	Very low	173 Å²	173	121.8 Å²	121.8	93%	0.925	58%	0.582	S	S	*	*			trans	-86.2	27.2	-173.5	-152.7	14.5	0	0	0	113.7
24	S	57.2	Low	47.8	Very low	61 Å²	61	118.1 Å²	118.1	43%	0.427	57%	0.568	S	S	.	*	S	Bend	trans	-144.5	145.9	172.6	74.2	0	0	0	0	112.4	L22 K26 S27 Q28	L22-S24 PolarHBondContact O-N 2.81Å; S24-K26 PolarHBondContact O-N 3.45Å; S24-K26 VanDerWaalsContact O-N 3.13Å; S24-S27 WeakPolarHBondContact O-CA 3.18Å; S24-S27 WeakPolarHBondContact O-CB 3.36Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 PolarHBondContact OG-N 3.28Å; S24-Q28 PolarHBondContact O-N 3.38Å
25	K	55.8	Low	48.6	Very low	181 Å²	181	118 Å²	118	79%	0.787	56%	0.559	S	S	*	*	H	α-helix	trans	-49.3	-38.7	175.2	-76.3	-168.6	174.4	-167.7	0	112.3	S27 Q28 Y29	K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 3.25Å; K25-Q28 PolarHBondContact O-N 3.24Å; K25-Y29 WeakPolarHBondContact O-CB 3.44Å; K25-Y29 PolarHBondContact O-N 3.02Å
26	K	51.4	Low	49.3	Very low	164 Å²	164	116.1 Å²	116.1	71%	0.713	55%	0.553	S	S	*	*	H	α-helix	trans	-63.6	-36.3	178.8	-156.6	171.2	-172.7	174.1	0	112.2	S24 I30	S24-K26 PolarHBondContact O-N 3.45Å; S24-K26 VanDerWaalsContact O-N 3.13Å; K26-I30 WeakPolarHBondContact O-CD1 3.33Å; K26-I30 VanDerWaalsContact O-CG1 3.28Å; K26-I30 WeakPolarHBondContact O-CG1 2.91Å; K26-I30 PolarHBondContact O-N 3.46Å; K26-I30 VanDerWaalsContact O-N 3.1Å
27	S	52.3	Low	50.2	Low	33 Å²	33	111.6 Å²	111.6	23%	0.231	54%	0.541	C	S	.	.	H	α-helix	trans	-75.4	-36.8	-179.6	-146.3	0	0	0	0	112.7	L22 S24 K25 Y29 I30 F31	L22-S27 WeakPolarHBondContact CD2-OG 3.2Å; S24-S27 WeakPolarHBondContact O-CA 3.18Å; S24-S27 WeakPolarHBondContact O-CB 3.36Å; S24-S27 PolarHBondContact O-N 3.39Å; S24-S27 PolarHBondContact OG-N 3.28Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 3.25Å; S27-Y29 VanDerWaalsContact C-N 3.35Å; S27-I30 PolarHBondContact O-N 3.38Å; S27-F31 PolarHBondContact O-N 3.05Å; S27-F31 VanDerWaalsContact O-N 3.17Å
28	Q	51.8	Low	50.8	Low	119 Å²	119	107.3 Å²	107.3	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-37.5	172.2	-69.5	178.2	-9.4	0	0	112	S24 K25 F31 H32	S24-Q28 PolarHBondContact O-N 3.38Å; K25-Q28 PolarHBondContact O-N 3.24Å; Q28-F31 PolarHBondContact O-N 3.37Å; Q28-H32 PolarHBondContact O-N 3.41Å; Q28-H32 VanDerWaalsContact O-N 3.1Å
29	Y	53.3	Low	51.5	Low	86 Å²	86	102.1 Å²	102.1	34%	0.337	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-47.6	174.3	-170.9	-105.7	0	0	0	111.5	K25 S27 F31 H32 I33 I273	K25-Y29 WeakPolarHBondContact O-CB 3.44Å; K25-Y29 PolarHBondContact O-N 3.02Å; S27-Y29 VanDerWaalsContact C-N 3.35Å; Y29-F31 VanDerWaalsContact C-N 3.29Å; Y29-F31 PolarHBondContact O-N 3.33Å; Y29-H32 PolarHBondContact O-N 3.28Å; Y29-I33 HydrophobicContact CD1-CD1 3.39Å; Y29-I33 HydrophobicContact CD1-CG1 4.24Å; Y29-I33 HydrophobicContact CE1-CD1 3.4Å; Y29-I33 HydrophobicContact CE1-CG1 4.14Å; Y29-I33 HydrophobicContact CG-CD1 4.24Å; Y29-I33 WeakPolarHBondContact O-CD1 3.29Å; Y29-I33 WeakPolarHBondContact O-CG1 3.49Å; Y29-I33 PolarHBondContact O-N 3.15Å; Y29-I273 HydrophobicContact CE2-CG2 4.06Å; Y29-I273 WeakPolarHBondContact OH-CG2 3.42Å
30	I	55.6	Low	52	Low	88 Å²	88	96.6 Å²	96.6	45%	0.451	51%	0.512	S	S	.	.	H	α-helix	trans	-59.2	-37.6	176.2	-67.4	164.2	0	0	0	112.1	K26 S27 I33 I34	K26-I30 WeakPolarHBondContact O-CD1 3.33Å; K26-I30 VanDerWaalsContact O-CG1 3.28Å; K26-I30 WeakPolarHBondContact O-CG1 2.91Å; K26-I30 PolarHBondContact O-N 3.46Å; K26-I30 VanDerWaalsContact O-N 3.1Å; S27-I30 PolarHBondContact O-N 3.38Å; I30-I33 WeakPolarHBondContact O-CB 3.38Å; I30-I33 PolarHBondContact O-N 3.44Å; I30-I34 HydrophobicContact CG2-CD1 4.39Å; I30-I34 WeakPolarHBondContact O-CG1 3.43Å; I30-I34 PolarHBondContact O-N 3.46Å; I30-I34 VanDerWaalsContact O-N 3.15Å
31	F	52.6	Low	52	Low	53 Å²	53	99.4 Å²	99.4	23%	0.232	51%	0.513	C	S	.	.	H	α-helix	trans	-70.8	-40.9	178.4	-170.8	-101.2	0	0	0	112.7	W18 L22 S27 Q28 Y29 I33 I34 I35	W18-F31 HydrophobicContact CE3-CD2 4.48Å; W18-F31 HydrophobicContact CE3-CE2 4.44Å; L22-F31 HydrophobicContact CD1-CB 3.89Å; L22-F31 HydrophobicContact CD1-CD2 4.42Å; L22-F31 HydrophobicContact CD1-CG 4.18Å; S27-F31 PolarHBondContact O-N 3.05Å; S27-F31 VanDerWaalsContact O-N 3.17Å; Q28-F31 PolarHBondContact O-N 3.37Å; Y29-F31 VanDerWaalsContact C-N 3.29Å; Y29-F31 PolarHBondContact O-N 3.33Å; F31-I33 VanDerWaalsContact C-N 3.3Å; F31-I33 PolarHBondContact O-N 3.23Å; F31-I34 PolarHBondContact O-N 3.41Å; F31-I35 HydrophobicContact CD1-CD1 3.92Å; F31-I35 HydrophobicContact CE1-CD1 3.37Å; F31-I35 HydrophobicContact CE1-CG1 4.31Å; F31-I35 HydrophobicContact CZ-CD1 3.87Å; F31-I35 PolarHBondContact O-N 3.25Å
32	H	54.1	Low	51.9	Low	131 Å²	131	95.6 Å²	95.6	61%	0.606	51%	0.512	S	S	*	.	H	α-helix	trans	-59.9	-41.1	171.1	-94.2	82.8	0	0	0	111.7	Q28 Y29 I34 I35 M36	Q28-H32 PolarHBondContact O-N 3.41Å; Q28-H32 VanDerWaalsContact O-N 3.1Å; Y29-H32 PolarHBondContact O-N 3.28Å; H32-I34 VanDerWaalsContact C-N 3.34Å; H32-I34 PolarHBondContact O-N 3.1Å; H32-I35 PolarHBondContact O-N 3.4Å; H32-M36 WeakPolarHBondContact O-CB 3.5Å; H32-M36 WeakPolarHBondContact O-CG 3.1Å; H32-M36 PolarHBondContact O-N 3.17Å
33	I	54.4	Low	52.3	Low	42 Å²	42	99.5 Å²	99.5	22%	0.215	53%	0.527	C	S	.	.	H	α-helix	trans	-55.1	-47.4	174.9	-71	162.1	0	0	0	111.4	Y29 I30 F31 M36 A37 V345	Y29-I33 HydrophobicContact CD1-CD1 3.39Å; Y29-I33 HydrophobicContact CD1-CG1 4.24Å; Y29-I33 HydrophobicContact CE1-CD1 3.4Å; Y29-I33 HydrophobicContact CE1-CG1 4.14Å; Y29-I33 HydrophobicContact CG-CD1 4.24Å; Y29-I33 WeakPolarHBondContact O-CD1 3.29Å; Y29-I33 WeakPolarHBondContact O-CG1 3.49Å; Y29-I33 PolarHBondContact O-N 3.15Å; I30-I33 WeakPolarHBondContact O-CB 3.38Å; I30-I33 PolarHBondContact O-N 3.44Å; F31-I33 VanDerWaalsContact C-N 3.3Å; F31-I33 PolarHBondContact O-N 3.23Å; I33-M36 PolarHBondContact O-N 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.05Å; I33-A37 PolarHBondContact O-N 3.43Å; I33-V345 HydrophobicContact CB-CG1 4.14Å; I33-V345 HydrophobicContact CB-CG2 4.37Å; I33-V345 HydrophobicContact CG1-CG1 3.96Å; I33-V345 HydrophobicContact CG1-CG2 4.11Å; I33-V345 HydrophobicContact CG2-CB 4.31Å; I33-V345 HydrophobicContact CG2-CG1 3.83Å; I33-V345 HydrophobicContact CG2-CG2 3.46Å; I33-V345 VanDerWaalsContact CG2-CG2 3.46Å
34	I	53.7	Low	52.9	Low	81 Å²	81	94.6 Å²	94.6	42%	0.415	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-45.1	-178.2	-67.5	168.8	0	0	0	111	I30 F31 H32 M36 A37 V38	I30-I34 HydrophobicContact CG2-CD1 4.39Å; I30-I34 WeakPolarHBondContact O-CG1 3.43Å; I30-I34 PolarHBondContact O-N 3.46Å; I30-I34 VanDerWaalsContact O-N 3.15Å; F31-I34 PolarHBondContact O-N 3.41Å; H32-I34 VanDerWaalsContact C-N 3.34Å; H32-I34 PolarHBondContact O-N 3.1Å; I34-M36 VanDerWaalsContact C-N 3.35Å; I34-M36 PolarHBondContact O-N 3.49Å; I34-A37 PolarHBondContact O-N 3.18Å; I34-V38 WeakPolarHBondContact O-CG2 3.18Å; I34-V38 PolarHBondContact O-N 2.91Å
35	I	55.6	Low	54.2	Low	101 Å²	101	93.8 Å²	93.8	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-63.9	-41.8	-179.3	-67.4	177.8	0	0	0	111.2	F31 H32 V38 G39	F31-I35 HydrophobicContact CD1-CD1 3.92Å; F31-I35 HydrophobicContact CE1-CD1 3.37Å; F31-I35 HydrophobicContact CE1-CG1 4.31Å; F31-I35 HydrophobicContact CZ-CD1 3.87Å; F31-I35 PolarHBondContact O-N 3.25Å; H32-I35 PolarHBondContact O-N 3.4Å; I35-V38 PolarHBondContact O-N 3.13Å; I35-G39 PolarHBondContact O-N 3.4Å
36	M	53.8	Low	56	Low	80 Å²	80	86.4 Å²	86.4	39%	0.394	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178.2	-67.6	-102.4	-80.7	0	0	111.8	H32 I33 I34 V38 G39 S40 H346	H32-M36 WeakPolarHBondContact O-CB 3.5Å; H32-M36 WeakPolarHBondContact O-CG 3.1Å; H32-M36 PolarHBondContact O-N 3.17Å; I33-M36 PolarHBondContact O-N 3.31Å; I34-M36 VanDerWaalsContact C-N 3.35Å; I34-M36 PolarHBondContact O-N 3.49Å; M36-V38 VanDerWaalsContact C-N 3.32Å; M36-V38 PolarHBondContact O-N 3.2Å; M36-G39 PolarHBondContact O-N 3.16Å; M36-S40 PolarHBondContact O-N 2.69Å; M36-S40 PolarHBondContact O-OG 3.37Å; M36-H346 WeakPolarHBondContact CE-CD2 3.39Å; M36-H346 WeakPolarHBondContact CE-NE2 3.27Å
37	A	51.5	Low	58.1	Low	49 Å²	49	82.2 Å²	82.2	41%	0.405	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-34.4	178.1	0	0	0	0	0	113.2	I33 I34	I33-A37 WeakPolarHBondContact O-CB 3.05Å; I33-A37 PolarHBondContact O-N 3.43Å; I34-A37 PolarHBondContact O-N 3.18Å
38	V	51.9	Low	60.2	Low	109 Å²	109	80.7 Å²	80.7	66%	0.661	45%	0.452	S	S	*	.	H	α-helix	trans	-76.2	-28.1	178.4	-173.5	0	0	0	0	111.9	I34 I35 M36	I34-V38 WeakPolarHBondContact O-CG2 3.18Å; I34-V38 PolarHBondContact O-N 2.91Å; I35-V38 PolarHBondContact O-N 3.13Å; M36-V38 VanDerWaalsContact C-N 3.32Å; M36-V38 PolarHBondContact O-N 3.2Å
39	G	47.3	Very low	62.5	Low	62 Å²	62	75 Å²	75	64%	0.639	43%	0.426	S	S	*	.	H	α-helix	trans	-77.2	-22.3	179.8	0	0	0	0	0	115.4	I35 M36 Y41	I35-G39 PolarHBondContact O-N 3.4Å; M36-G39 PolarHBondContact O-N 3.16Å; G39-Y41 PolarHBondContact O-N 3.16Å
40	S	47.7	Very low	64.6	Low	51 Å²	51	70.9 Å²	70.9	36%	0.357	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.5	-169	-64.2	0	0	0	0	115.8	M36 G42 F43	M36-S40 PolarHBondContact O-N 2.69Å; M36-S40 PolarHBondContact O-OG 3.37Å; S40-G42 PolarHBondContact O-N 3.48Å; S40-F43 PolarHBondContact O-N 2.94Å
41	Y	42	Very low	66.7	Low	222 Å²	222	66.7 Å²	66.7	87%	0.871	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	18.3	-173	-102	-84.2	0	0	0	116.9	G39	G39-Y41 PolarHBondContact O-N 3.16Å
42	G	44.2	Very low	68.9	Low	72 Å²	72	64.2 Å²	64.2	74%	0.742	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.8	0.3	177.3	0	0	0	0	0	116.5	S40	S40-G42 PolarHBondContact O-N 3.48Å
43	F	56.1	Low	71	Confident	132 Å²	132	58.1 Å²	58.1	58%	0.579	35%	0.349	S	S	*	.	S	Bend	trans	-107.9	131.8	179.7	-73.4	-88.6	0	0	0	109.7	S40 N285	S40-F43 PolarHBondContact O-N 2.94Å; F43-N285 VanDerWaalsContact CD1-OD1 3.29Å; F43-N285 WeakPolarHBondContact CD1-OD1 3.48Å; F43-N285 WeakPolarHBondContact CE1-OD1 3.22Å
44	G	69.2	Low	73.1	Confident	69 Å²	69	56.4 Å²	56.4	71%	0.711	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-57.4	155	174.1	0	0	0	0	0	111.5
45	S	84.1	Confident	75.2	Confident	45 Å²	45	52.5 Å²	52.5	32%	0.315	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-55.9	138.1	175.1	43.9	0	0	0	0	111	N347 E349	S45-N347 WeakPolarHBondContact CA-ND2 3.49Å; S45-N347 WeakPolarHBondContact CA-O 3.49Å; S45-N347 WeakPolarHBondContact CB-O 3.28Å; S45-E349 PolarHBondContact OG-OE2 3.06Å
46	T	93.2	Very high	77.3	Confident	25 Å²	25	47.7 Å²	47.7	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	124.4	169.4	-64.1	0	0	0	0	107.8	C286 I289 N347 Y348 E349	T46-C286 WeakPolarHBondContact CG2-SG 3.29Å; T46-C286 PolarHBondContact OG1-O 3.4Å; T46-I289 HydrophobicContact CG2-CD1 3.85Å; T46-I289 HydrophobicContact CG2-CG1 4.03Å; T46-N347 PolarHBondContact N-O 3.42Å; T46-N347 VanDerWaalsContact N-O 3.14Å; T46-Y348 HydrophobicContact CG2-CD1 3.84Å; T46-Y348 HydrophobicContact CG2-CE1 3.67Å; T46-Y348 CarbonylContact O-C 3.52Å; T46-Y348 WeakPolarHBondContact O-CA 3.39Å; T46-E349 PolarHBondContact O-N 3.1Å
47	K	95.9	Very high	79.3	Confident	76 Å²	76	43.9 Å²	43.9	33%	0.33	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.6	178.9	-58.8	173.2	172.5	-162	0	109.3	K287 N288 I289 E349 L351 L356	K47-K287 VanDerWaalsContact CB-O 3.3Å; K47-K287 WeakPolarHBondContact CB-O 3.46Å; K47-K287 PolarHBondContact N-O 3.25Å; K47-K287 VanDerWaalsContact N-O 3.14Å; K47-N288 HydrophobicContact CB-CB 4.22Å; K47-N288 CarbonylContact O-C 3.48Å; K47-N288 WeakPolarHBondContact O-CA 3.45Å; K47-I289 PolarHBondContact O-N 2.84Å; K47-E349 CarbonylContact C-O 3.57Å; K47-E349 WeakPolarHBondContact CA-O 3.49Å; K47-L351 HydrophobicContact CB-CD1 3.92Å; K47-L351 HydrophobicContact CD-CD1 3.54Å; K47-L351 HydrophobicContact CG-CD1 3.59Å; K47-L356 HydrophobicContact CB-CD2 4.26Å; K47-L356 HydrophobicContact CD-CD2 3.63Å
48	I	97.3	Very high	81.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.9	175.4	-169.8	166.9	0	0	0	109.5	V50 I289 F291 L343 Y348 E349 L350 L351	I48-V50 HydrophobicContact CD1-CG2 4.47Å; I48-V50 HydrophobicContact CG1-CG2 4.25Å; I48-I289 WeakPolarHBondContact CA-O 3.5Å; I48-I289 HydrophobicContact CG1-CB 4.33Å; I48-F291 HydrophobicContact CD1-CB 4.19Å; I48-F291 HydrophobicContact CG1-CB 4.34Å; I48-L343 HydrophobicContact CG2-CD2 4.11Å; I48-Y348 HydrophobicContact CB-CD1 4.36Å; I48-Y348 HydrophobicContact CG2-CG 4.43Å; I48-E349 PolarHBondContact N-O 3.1Å; I48-L350 HydrophobicContact CG2-CD2 3.89Å; I48-L350 HydrophobicContact CG2-CG 4.33Å; I48-L350 WeakPolarHBondContact O-CA 3.49Å; I48-L351 PolarHBondContact O-N 3.33Å
49	I	98.5	Very high	83.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.1	170.5	-59.8	161.4	0	0	0	106.5	N51 S77 D78 T258 I289 E290 F291 L351 F353 L356	I49-N51 HydrophobicContact CG2-CB 4.43Å; I49-S77 WeakPolarHBondContact CA-OG 3.49Å; I49-D78 HydrophobicContact CG2-CB 3.85Å; I49-T258 HydrophobicContact CD1-CG2 4.13Å; I49-I289 PolarHBondContact N-O 3.29Å; I49-E290 CarbonylContact O-C 3.09Å; I49-E290 WeakPolarHBondContact O-CA 3.25Å; I49-F291 PolarHBondContact O-N 3.4Å; I49-L351 WeakPolarHBondContact CA-O 3.37Å; I49-L351 WeakPolarHBondContact CG1-O 3.46Å; I49-F353 HydrophobicContact CD1-CD1 3.63Å; I49-F353 HydrophobicContact CD1-CD2 3.97Å; I49-F353 HydrophobicContact CD1-CE1 3.74Å; I49-F353 HydrophobicContact CD1-CE2 4.07Å; I49-F353 HydrophobicContact CD1-CG 3.77Å; I49-F353 HydrophobicContact CD1-CZ 3.97Å; I49-F353 HydrophobicContact CG2-CD2 3.85Å; I49-F353 HydrophobicContact CG2-CE2 3.76Å; I49-F353 HydrophobicContact CG2-CZ 4.49Å; I49-L356 HydrophobicContact CD1-CD1 3.39Å; I49-L356 HydrophobicContact CD1-CG 4.02Å; I49-L356 HydrophobicContact CG1-CD1 4.38Å
50	V	98.7	Very high	85.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.4	172.2	-176.1	0	0	0	0	106.9	I48 V76 S77 D78 F291 V293 L334 F339 L350	I48-V50 HydrophobicContact CD1-CG2 4.47Å; I48-V50 HydrophobicContact CG1-CG2 4.25Å; V50-V76 HydrophobicContact CG1-CB 4.26Å; V50-V76 HydrophobicContact CG1-CG1 3.94Å; V50-V76 WeakPolarHBondContact O-CB 3.2Å; V50-S77 PolarHBondContact N-OG 3.07Å; V50-S77 PolarHBondContact O-N 3.42Å; V50-S77 PolarHBondContact O-OG 3.38Å; V50-D78 PolarHBondContact O-N 2.97Å; V50-F291 CarbonylContact C-O 3.58Å; V50-F291 WeakPolarHBondContact CA-O 3.41Å; V50-F291 HydrophobicContact CG1-CD1 4.13Å; V50-F291 HydrophobicContact CG2-CB 4.33Å; V50-F291 HydrophobicContact CG2-CD1 4.03Å; V50-V293 HydrophobicContact CG1-CG1 4.02Å; V50-V293 HydrophobicContact CG1-CG2 3.68Å; V50-L334 HydrophobicContact CG1-CD2 3.9Å; V50-F339 HydrophobicContact CG2-CZ 4.11Å; V50-L350 HydrophobicContact CB-CD2 4.19Å; V50-L350 HydrophobicContact CG2-CD2 3.47Å; V50-L350 VanDerWaalsContact CG2-CD2 3.47Å
51	N	98.8	Very high	88.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.2	-172.6	-167.8	63.9	0	0	0	110.8	I49 D53 D78 V79 S80 H185 D187 R215 F291 V293	I49-N51 HydrophobicContact CG2-CB 4.43Å; N51-D53 PolarHBondContact ND2-OD1 3.28Å; N51-D53 PolarHBondContact O-N 3.43Å; N51-D78 WeakPolarHBondContact CA-O 3.46Å; N51-V79 PolarHBondContact OD1-N 2.83Å; N51-S80 PolarHBondContact ND2-OG 3.42Å; N51-H185 PolarHBondContact OD1-NE2 3.15Å; N51-H185 VanDerWaalsContact OD1-NE2 3.15Å; N51-D187 PolarHBondContact ND2-OD2 3.26Å; N51-D187 VanDerWaalsContact ND2-OD2 3.1Å; N51-R215 PolarHBondContact ND2-NH2 3.01Å; N51-F291 PolarHBondContact N-O 3.47Å; N51-V293 VanDerWaalsContact O-CG2 3.31Å; N51-V293 WeakPolarHBondContact O-CG2 3.49Å; N51-V293 PolarHBondContact O-N 2.77Å
52	A	98.8	Very high	90.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	113.1	169.3	0	0	0	0	0	110.2	I65 V76 D78 V79 S80 V293 P295	A52-I65 HydrophobicContact CB-CD1 4.43Å; A52-I65 HydrophobicContact CB-CG1 4.23Å; A52-I65 HydrophobicContact CB-CG2 3.88Å; A52-V76 HydrophobicContact CB-CB 4.28Å; A52-V76 HydrophobicContact CB-CG1 4.12Å; A52-V76 HydrophobicContact CB-CG2 4.11Å; A52-D78 PolarHBondContact N-O 3.3Å; A52-V79 HydrophobicContact CB-CB 4.25Å; A52-V79 HydrophobicContact CB-CG2 4.16Å; A52-V79 VanDerWaalsContact O-CA 3.3Å; A52-V79 WeakPolarHBondContact O-CA 3.44Å; A52-V79 WeakPolarHBondContact O-CG2 3.49Å; A52-S80 PolarHBondContact O-N 3.37Å; A52-V293 WeakPolarHBondContact CA-O 3.27Å; A52-P295 HydrophobicContact CB-CG 3.96Å
53	D	98.7	Very high	93.4	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	156.6	172.5	-81	18.5	0	0	0	111.6	N51 S80 H119 R215 M292 V293	N51-D53 PolarHBondContact ND2-OD1 3.28Å; N51-D53 PolarHBondContact O-N 3.43Å; D53-S80 PolarHBondContact OD1-OG 2.82Å; D53-H119 IonicContact OD2-CE1 3.37Å; D53-H119 PolarHBondContact OD2-CE1 2.9Å; D53-H119 IonicContact OD2-ND1 3.29Å; D53-H119 IonicContact OD2-NE2 2.72Å; D53-R215 IonicContact OD1-CZ 3.63Å; D53-R215 IonicContact OD1-NH1 2.71Å; D53-R215 PolarHBondContact OD1-NH1 3.29Å; D53-R215 IonicContact OD1-NH2 3.2Å; D53-R215 PolarHBondContact OD1-NH2 3.17Å; D53-R215 IonicContact OD2-CZ 3.74Å; D53-R215 IonicContact OD2-NH1 3.63Å; D53-R215 PolarHBondContact OD2-NH1 2.76Å; D53-R215 IonicContact OD2-NH2 2.85Å; D53-M292 WeakPolarHBondContact OD2-CG 3.38Å; D53-V293 PolarHBondContact N-O 3.04Å
54	D	97.9	Very high	95.4	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.032	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64	36.6	174.8	-44.1	-58.3	0	0	0	116	Y57 R61 S80 L82 H119 H189 H294 R327	D54-Y57 WeakPolarHBondContact O-CB 3.49Å; D54-Y57 PolarHBondContact O-N 3.37Å; D54-R61 VanDerWaalsContact O-CD 3.31Å; D54-R61 WeakPolarHBondContact O-CD 3.38Å; D54-R61 IonicContact OD2-NH1 3.19Å; D54-R61 PolarHBondContact OD2-NH1 3.14Å; D54-S80 PolarHBondContact N-O 3.23Å; D54-L82 HydrophobicContact CB-CD1 3.71Å; D54-H119 IonicContact OD1-CD2 2.64Å; D54-H119 PolarHBondContact OD1-CD2 3.45Å; D54-H119 IonicContact OD1-NE2 3.57Å; D54-H119 PolarHBondContact OD1-NE2 3.22Å; D54-H189 IonicContact OD1-CE1 2.88Å; D54-H189 PolarHBondContact OD1-CE1 2.89Å; D54-H189 IonicContact OD1-ND1 3.68Å; D54-H189 PolarHBondContact OD1-ND1 3.2Å; D54-H294 IonicContact OD2-CD2 2.67Å; D54-R327 IonicContact OD2-CZ 3.38Å; D54-R327 IonicContact OD2-NH1 3.73Å; D54-R327 PolarHBondContact OD2-NH1 3.41Å; D54-R327 IonicContact OD2-NH2 3.34Å; D54-R327 PolarHBondContact OD2-NH2 2.98Å
55	G	98.5	Very high	96.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	152.6	165.4	0	0	0	0	0	111.5	Y57 S80 V81 L82	G55-Y57 PolarHBondContact O-N 3.1Å; G55-S80 PolarHBondContact N-O 3.09Å; G55-V81 WeakPolarHBondContact O-CA 3.42Å; G55-L82 PolarHBondContact O-N 2.88Å
56	F	98.1	Very high	97.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	9	-175.5	-64.3	-13	0	0	0	116.6	D62 V81 M83 G85 A86 V87 A88 L91 L105 F106 V178 F179	F56-D62 PolarHBondContact N-OD1 3.2Å; F56-V81 HydrophobicContact CB-CB 4.41Å; F56-V81 HydrophobicContact CD1-CG1 4.34Å; F56-V81 HydrophobicContact CD2-CB 3.72Å; F56-V81 HydrophobicContact CD2-CG1 3.94Å; F56-V81 HydrophobicContact CD2-CG2 4.1Å; F56-V81 HydrophobicContact CE2-CB 4.2Å; F56-V81 HydrophobicContact CE2-CG1 4.13Å; F56-V81 HydrophobicContact CE2-CG2 4.24Å; F56-V81 HydrophobicContact CG-CB 4.08Å; F56-V81 HydrophobicContact CG-CG1 4.06Å; F56-V81 HydrophobicContact CZ-CG1 4.4Å; F56-M83 HydrophobicContact CD2-SD 4.44Å; F56-G85 CarbonylContact O-C 3.51Å; F56-G85 WeakPolarHBondContact O-CA 3.5Å; F56-A86 PolarHBondContact O-N 3.21Å; F56-V87 HydrophobicContact CB-CB 3.98Å; F56-V87 HydrophobicContact CB-CG1 4.42Å; F56-V87 HydrophobicContact CD1-CB 4.24Å; F56-V87 HydrophobicContact CD1-CG1 3.77Å; F56-V87 HydrophobicContact CE1-CG1 4.32Å; F56-V87 HydrophobicContact CG-CB 4.33Å; F56-V87 HydrophobicContact CG-CG1 4.24Å; F56-V87 WeakPolarHBondContact O-CB 3.39Å; F56-V87 PolarHBondContact O-N 3.1Å; F56-V87 VanDerWaalsContact O-N 3.14Å; F56-A88 HydrophobicContact CB-CB 4.03Å; F56-A88 HydrophobicContact CD2-CB 3.96Å; F56-A88 HydrophobicContact CG-CB 4.39Å; F56-L91 HydrophobicContact CD1-CD1 4.28Å; F56-L91 HydrophobicContact CD2-CD1 4.17Å; F56-L91 HydrophobicContact CE1-CD1 3.77Å; F56-L91 HydrophobicContact CE2-CD1 3.63Å; F56-L91 HydrophobicContact CG-CD1 4.47Å; F56-L91 HydrophobicContact CZ-CD1 3.41Å; F56-L91 VanDerWaalsContact CZ-CD1 3.41Å; F56-L105 HydrophobicContact CD1-CB 4.49Å; F56-L105 HydrophobicContact CD1-CD2 3.93Å; F56-L105 HydrophobicContact CD1-CG 4.45Å; F56-L105 HydrophobicContact CE1-CB 4.2Å; F56-L105 HydrophobicContact CE1-CD2 4.08Å; F56-L105 HydrophobicContact CE1-CG 4.13Å; F56-F106 HydrophobicContact CE1-CB 4.14Å; F56-F106 HydrophobicContact CZ-CB 4.09Å; F56-F106 HydrophobicContact CZ-CD2 4.17Å; F56-V178 HydrophobicContact CE2-CG1 4.2Å; F56-F179 AromaticContact CE2-CE2 3.8Å; F56-F179 HydrophobicContact CE2-CE2 3.8Å; F56-F179 AromaticContact CE2-CZ 3.47Å; F56-F179 HydrophobicContact CE2-CZ 3.47Å; F56-F179 VanDerWaalsContact CE2-CZ 3.47Å; F56-F179 HydrophobicContact CZ-CE1 4.25Å; F56-F179 HydrophobicContact CZ-CE2 4.29Å; F56-F179 AromaticContact CZ-CZ 3.49Å; F56-F179 HydrophobicContact CZ-CZ 3.49Å; F56-F179 VanDerWaalsContact CZ-CZ 3.49Å
57	Y	96.5	Very high	97.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-66	-49	174.4	-168.4	-90.1	0	0	0	112.7	D54 G55 R61 L82 A86 E124 G311 P318 D319 S322	D54-Y57 WeakPolarHBondContact O-CB 3.49Å; D54-Y57 PolarHBondContact O-N 3.37Å; G55-Y57 PolarHBondContact O-N 3.1Å; Y57-R61 VanDerWaalsContact CB-CZ 3.42Å; Y57-R61 VanDerWaalsContact CB-NH1 3.26Å; Y57-R61 VanDerWaalsContact CD2-NH1 3.3Å; Y57-R61 VanDerWaalsContact CG-NH2 3.34Å; Y57-L82 HydrophobicContact CD2-CD1 3.68Å; Y57-A86 WeakPolarHBondContact O-CB 3.48Å; Y57-A86 PolarHBondContact O-N 2.93Å; Y57-E124 WeakPolarHBondContact CE2-OE1 3.27Å; Y57-E124 WeakPolarHBondContact CE2-OE2 3.44Å; Y57-E124 VanDerWaalsContact CZ-OE1 3.3Å; Y57-E124 PolarHBondContact OH-OE1 3.5Å; Y57-G311 WeakPolarHBondContact O-CA 3.3Å; Y57-G311 PolarHBondContact O-N 2.93Å; Y57-P318 HydrophobicContact CE1-CB 4.02Å; Y57-P318 VanDerWaalsContact OH-CA 3.23Å; Y57-P318 WeakPolarHBondContact OH-CA 3.47Å; Y57-D319 PolarHBondContact OH-N 3.41Å; Y57-S322 VanDerWaalsContact CE1-OG 3.26Å; Y57-S322 WeakPolarHBondContact CE1-OG 3.36Å
58	S	95.4	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.078	C	C	.	.			trans	-154.3	152.8	178.9	65.8	0	0	0	0	110.8	I60 R61 D62 V87 T299 E310	S58-I60 PolarHBondContact O-N 3.12Å; S58-R61 PolarHBondContact O-N 3.46Å; S58-R61 WeakPolarHBondContact OG-CB 3.23Å; S58-R61 PolarHBondContact OG-N 2.88Å; S58-D62 WeakPolarHBondContact O-CB 3.4Å; S58-D62 PolarHBondContact O-N 2.75Å; S58-V87 VanDerWaalsContact C-CG2 3.46Å; S58-T299 PolarHBondContact OG-OG1 2.94Å; S58-E310 WeakPolarHBondContact CA-OE2 3.16Å; S58-E310 WeakPolarHBondContact CB-OE2 3.48Å
59	G	95.4	Very high	97.9	Very high	38 Å²	38	13.8 Å²	13.8	39%	0.392	8%	0.084	S	C	.	.	H	α-helix	trans	-62.4	-33.7	-179	0	0	0	0	0	113.1	Q63	G59-Q63 PolarHBondContact O-N 2.84Å; G59-Q63 VanDerWaalsContact O-N 3.11Å
60	I	95.8	Very high	97.9	Very high	64 Å²	64	16.9 Å²	16.9	33%	0.328	11%	0.106	S	C	.	.	H	α-helix	trans	-75.5	-33.7	179.5	-160.9	43.8	0	0	0	112	S58 Q63 Y297	S58-I60 PolarHBondContact O-N 3.12Å; I60-Q63 PolarHBondContact O-N 3.38Å; I60-Y297 HydrophobicContact CD1-CD2 4.02Å; I60-Y297 HydrophobicContact CD1-CG 4.22Å; I60-Y297 HydrophobicContact CG1-CG 4.44Å; I60-Y297 WeakPolarHBondContact O-CD2 3.36Å
61	R	96.7	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-48.8	171.2	-177.3	-174	-60	-164.8	-6.4	110.6	D54 Y57 S58 Q63 G64 I65 S322	D54-R61 VanDerWaalsContact O-CD 3.31Å; D54-R61 WeakPolarHBondContact O-CD 3.38Å; D54-R61 IonicContact OD2-NH1 3.19Å; D54-R61 PolarHBondContact OD2-NH1 3.14Å; Y57-R61 VanDerWaalsContact CB-CZ 3.42Å; Y57-R61 VanDerWaalsContact CB-NH1 3.26Å; Y57-R61 VanDerWaalsContact CD2-NH1 3.3Å; Y57-R61 VanDerWaalsContact CG-NH2 3.34Å; S58-R61 PolarHBondContact O-N 3.46Å; S58-R61 WeakPolarHBondContact OG-CB 3.23Å; S58-R61 PolarHBondContact OG-N 2.88Å; R61-Q63 PolarHBondContact O-N 2.9Å; R61-G64 PolarHBondContact O-N 3.45Å; R61-I65 HydrophobicContact CG-CD1 4.2Å; R61-I65 PolarHBondContact O-N 2.86Å; R61-I65 VanDerWaalsContact O-N 3.1Å; R61-S322 PolarHBondContact NH2-OG 2.86Å
62	D	98.4	Very high	97.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-35.7	177.8	-82.5	5.4	0	0	0	112	F56 S58 G64 I65 V66 L105	F56-D62 PolarHBondContact N-OD1 3.2Å; S58-D62 WeakPolarHBondContact O-CB 3.4Å; S58-D62 PolarHBondContact O-N 2.75Å; D62-G64 VanDerWaalsContact C-N 3.32Å; D62-G64 PolarHBondContact O-N 3.05Å; D62-I65 PolarHBondContact O-N 2.95Å; D62-V66 WeakPolarHBondContact O-CB 3.46Å; D62-V66 VanDerWaalsContact O-CG2 3.25Å; D62-V66 WeakPolarHBondContact O-CG2 3.3Å; D62-V66 PolarHBondContact O-N 3.28Å; D62-L105 HydrophobicContact CB-CB 3.77Å; D62-L105 HydrophobicContact CB-CD2 4.45Å; D62-L105 WeakPolarHBondContact OD1-CD2 3.19Å; D62-L105 WeakPolarHBondContact OD2-CB 3.3Å
63	Q	98.3	Very high	97.4	Very high	81 Å²	81	27.4 Å²	27.4	38%	0.379	17%	0.168	S	C	.	.	H	α-helix	trans	-60.1	-39.9	174.7	-174.7	-177.1	-12.3	0	0	112.6	G59 I60 R61 S67 L104 Y297	G59-Q63 PolarHBondContact O-N 2.84Å; G59-Q63 VanDerWaalsContact O-N 3.11Å; I60-Q63 PolarHBondContact O-N 3.38Å; R61-Q63 PolarHBondContact O-N 2.9Å; Q63-S67 PolarHBondContact O-N 3.35Å; Q63-S67 PolarHBondContact O-OG 3.43Å; Q63-L104 HydrophobicContact CB-CD1 4.37Å; Q63-L104 HydrophobicContact CG-CD1 4.36Å; Q63-Y297 HydrophobicContact CB-CD2 4.24Å; Q63-Y297 HydrophobicContact CB-CE2 4.37Å; Q63-Y297 HydrophobicContact CG-CD2 4.34Å; Q63-Y297 HydrophobicContact CG-CE2 4.01Å
64	G	98.5	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-73.1	-38.2	177.1	0	0	0	0	0	112.8	R61 D62 S67 C68 M331	R61-G64 PolarHBondContact O-N 3.45Å; D62-G64 VanDerWaalsContact C-N 3.32Å; D62-G64 PolarHBondContact O-N 3.05Å; G64-S67 WeakPolarHBondContact O-CB 3.38Å; G64-S67 PolarHBondContact O-N 3.35Å; G64-C68 PolarHBondContact O-N 2.82Å; G64-C68 PolarHBondContact O-SG 2.92Å; G64-C68 VanDerWaalsContact O-SG 3.32Å; G64-M331 WeakPolarHBondContact CA-SD 3.43Å
65	I	98.8	Very high	97.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-47.3	171.8	-63	174.1	0	0	0	110.3	A52 R61 D62 S67 C68 L69 V79 L105 P295	A52-I65 HydrophobicContact CB-CD1 4.43Å; A52-I65 HydrophobicContact CB-CG1 4.23Å; A52-I65 HydrophobicContact CB-CG2 3.88Å; R61-I65 HydrophobicContact CG-CD1 4.2Å; R61-I65 PolarHBondContact O-N 2.86Å; R61-I65 VanDerWaalsContact O-N 3.1Å; D62-I65 PolarHBondContact O-N 2.95Å; I65-S67 VanDerWaalsContact C-N 3.28Å; I65-S67 PolarHBondContact O-N 3.49Å; I65-C68 WeakPolarHBondContact O-CB 3.44Å; I65-C68 PolarHBondContact O-N 3.41Å; I65-C68 VanDerWaalsContact O-N 3.07Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.36Å; I65-L69 PolarHBondContact O-N 3.25Å; I65-V79 HydrophobicContact CG2-CB 4.41Å; I65-V79 HydrophobicContact CG2-CG2 3.99Å; I65-L105 HydrophobicContact CG2-CD1 3.91Å; I65-P295 HydrophobicContact CG1-CG 4.31Å; I65-P295 WeakPolarHBondContact CG1-O 3.18Å
66	V	98.8	Very high	97.4	Very high	23 Å²	23	30.1 Å²	30.1	14%	0.139	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-37.6	176.9	168.8	0	0	0	0	111.7	D62 C68 L69 S70 L104 L105 H108	D62-V66 WeakPolarHBondContact O-CB 3.46Å; D62-V66 VanDerWaalsContact O-CG2 3.25Å; D62-V66 WeakPolarHBondContact O-CG2 3.3Å; D62-V66 PolarHBondContact O-N 3.28Å; V66-C68 VanDerWaalsContact C-N 3.28Å; V66-C68 PolarHBondContact O-N 2.86Å; V66-L69 PolarHBondContact O-N 2.83Å; V66-S70 VanDerWaalsContact O-CB 3.27Å; V66-S70 WeakPolarHBondContact O-CB 3.24Å; V66-S70 PolarHBondContact O-N 3.43Å; V66-S70 PolarHBondContact O-OG 3.14Å; V66-L104 HydrophobicContact CG2-CB 4.4Å; V66-L105 HydrophobicContact CG2-CB 4.04Å; V66-L105 HydrophobicContact CG2-CD1 3.95Å; V66-H108 HydrophobicContact CG1-CB 4.22Å; V66-H108 HydrophobicContact CG2-CB 3.93Å
67	S	98.5	Very high	97.4	Very high	49 Å²	49	30.9 Å²	30.9	34%	0.343	18%	0.184	S	C	.	.	H	α-helix	trans	-62.2	-38.4	175.5	-58.6	0	0	0	0	111.5	Q63 G64 I65 A71	Q63-S67 PolarHBondContact O-N 3.35Å; Q63-S67 PolarHBondContact O-OG 3.43Å; G64-S67 WeakPolarHBondContact O-CB 3.38Å; G64-S67 PolarHBondContact O-N 3.35Å; I65-S67 VanDerWaalsContact C-N 3.28Å; I65-S67 PolarHBondContact O-N 3.49Å; S67-A71 PolarHBondContact O-N 2.97Å
68	C	98.7	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.8	-43.9	174.8	-60.8	0	0	0	0	112.7	G64 I65 V66 S70 A71 V76 P295 T335	G64-C68 PolarHBondContact O-N 2.82Å; G64-C68 PolarHBondContact O-SG 2.92Å; G64-C68 VanDerWaalsContact O-SG 3.32Å; I65-C68 WeakPolarHBondContact O-CB 3.44Å; I65-C68 PolarHBondContact O-N 3.41Å; I65-C68 VanDerWaalsContact O-N 3.07Å; V66-C68 VanDerWaalsContact C-N 3.28Å; V66-C68 PolarHBondContact O-N 2.86Å; C68-S70 PolarHBondContact O-N 3.14Å; C68-A71 WeakPolarHBondContact O-CB 3.19Å; C68-A71 PolarHBondContact O-N 3.5Å; C68-A71 VanDerWaalsContact O-N 3.14Å; C68-V76 HydrophobicContact CB-CB 4.21Å; C68-V76 HydrophobicContact CB-CG1 3.81Å; C68-V76 HydrophobicContact CB-CG2 3.68Å; C68-V76 PolarHBondContact O-N 3.43Å; C68-P295 VanDerWaalsContact SG-CB 3.58Å; C68-T335 HydrophobicContact CB-CG2 4.44Å
69	L	98.6	Very high	97.6	Very high	23 Å²	23	30.9 Å²	30.9	12%	0.12	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-30.4	176.6	-75	166.7	0	0	0	112.3	I65 V66 A71 V76 V79 L105 I109	I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.36Å; I65-L69 PolarHBondContact O-N 3.25Å; V66-L69 PolarHBondContact O-N 2.83Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-V76 HydrophobicContact CB-CG2 4.39Å; L69-V76 HydrophobicContact CD2-CG2 3.65Å; L69-V76 HydrophobicContact CG-CG2 3.57Å; L69-V79 HydrophobicContact CD1-CG1 4.46Å; L69-L105 HydrophobicContact CD1-CD1 3.67Å; L69-I109 HydrophobicContact CD1-CG2 4.13Å
70	S	98.1	Very high	97.8	Very high	66 Å²	66	29.1 Å²	29.1	46%	0.462	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.8	179.4	-53.9	0	0	0	0	113.2	V66 C68 H108	V66-S70 VanDerWaalsContact O-CB 3.27Å; V66-S70 WeakPolarHBondContact O-CB 3.24Å; V66-S70 PolarHBondContact O-N 3.43Å; V66-S70 PolarHBondContact O-OG 3.14Å; C68-S70 PolarHBondContact O-N 3.14Å; S70-H108 PolarHBondContact OG-CE1 2.9Å
71	A	97.8	Very high	98	Very high	20 Å²	20	26 Å²	26	17%	0.165	15%	0.149	C	C	.	.	S	Bend	trans	-77.2	131.9	-178	0	0	0	0	0	110.8	S67 C68 L69 R74 T335	S67-A71 PolarHBondContact O-N 2.97Å; C68-A71 WeakPolarHBondContact O-CB 3.19Å; C68-A71 PolarHBondContact O-N 3.5Å; C68-A71 VanDerWaalsContact O-N 3.14Å; L69-A71 VanDerWaalsContact C-N 3.3Å; A71-R74 HydrophobicContact CB-CG 3.64Å; A71-T335 HydrophobicContact CB-CG2 4.34Å
72	V	94.3	Very high	98	Very high	97 Å²	97	26 Å²	26	59%	0.588	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	128.3	-176.2	-175.8	0	0	0	0	110.7	R74	V72-R74 PolarHBondContact O-N 3.31Å; V72-R74 PolarHBondContact O-NH1 3.05Å; V72-R74 VanDerWaalsContact O-NH1 3.07Å
73	D	94.5	Very high	98.1	Very high	104 Å²	104	26 Å²	26	56%	0.556	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	21.4	-177.1	-41	-48.2	0	0	0	114.9	K340	D73-K340 HydrophobicContact CB-CD 4.36Å; D73-K340 HydrophobicContact CB-CG 4.49Å; D73-K340 IonicContact OD2-NZ 3.06Å; D73-K340 PolarHBondContact OD2-NZ 3.35Å
74	R	97.3	Very high	98	Very high	60 Å²	60	22.1 Å²	22.1	23%	0.226	13%	0.131	C	C	.	.	S	Bend	trans	-160.3	-167.7	-179.5	68.4	-172.4	179.7	-92.2	20.7	110.1	A71 V72 T335 S336 F339 K340	A71-R74 HydrophobicContact CB-CG 3.64Å; V72-R74 PolarHBondContact O-N 3.31Å; V72-R74 PolarHBondContact O-NH1 3.05Å; V72-R74 VanDerWaalsContact O-NH1 3.07Å; R74-T335 PolarHBondContact NE-O 2.93Å; R74-S336 WeakPolarHBondContact CD-O 3.2Å; R74-F339 HydrophobicContact CB-CD1 4.23Å; R74-K340 HydrophobicContact CB-CB 3.99Å
75	G	98	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	84.5	-142.6	174.9	0	0	0	0	0	112.1	L334	G75-L334 WeakPolarHBondContact CA-O 3.37Å; G75-L334 PolarHBondContact N-O 3.02Å
76	V	98.6	Very high	97.7	Very high	6 Å²	6	23 Å²	23	4%	0.036	14%	0.139	C	C	.	.			trans	-108.3	142.3	174.6	-55.5	0	0	0	0	109	V50 A52 C68 L69 V293 P295 L334	V50-V76 HydrophobicContact CG1-CB 4.26Å; V50-V76 HydrophobicContact CG1-CG1 3.94Å; V50-V76 WeakPolarHBondContact O-CB 3.2Å; A52-V76 HydrophobicContact CB-CB 4.28Å; A52-V76 HydrophobicContact CB-CG1 4.12Å; A52-V76 HydrophobicContact CB-CG2 4.11Å; C68-V76 HydrophobicContact CB-CB 4.21Å; C68-V76 HydrophobicContact CB-CG1 3.81Å; C68-V76 HydrophobicContact CB-CG2 3.68Å; C68-V76 PolarHBondContact O-N 3.43Å; L69-V76 HydrophobicContact CB-CG2 4.39Å; L69-V76 HydrophobicContact CD2-CG2 3.65Å; L69-V76 HydrophobicContact CG-CG2 3.57Å; V76-V293 HydrophobicContact CG1-CG2 3.64Å; V76-P295 HydrophobicContact CG1-CG 3.87Å; V76-L334 HydrophobicContact CG1-CD1 3.87Å
77	S	98.2	Very high	97.6	Very high	16 Å²	16	22.8 Å²	22.8	11%	0.112	14%	0.137	C	C	.	.	S	Bend	trans	-98.5	-29.5	177.6	59.3	0	0	0	0	111.8	I49 V50 Q114 L351 T352	I49-S77 WeakPolarHBondContact CA-OG 3.49Å; V50-S77 PolarHBondContact N-OG 3.07Å; V50-S77 PolarHBondContact O-N 3.42Å; V50-S77 PolarHBondContact O-OG 3.38Å; S77-Q114 PolarHBondContact O-NE2 2.88Å; S77-L351 WeakPolarHBondContact CB-O 3.47Å; S77-L351 PolarHBondContact OG-O 2.87Å; S77-T352 VanDerWaalsContact O-CG2 3.31Å; S77-T352 WeakPolarHBondContact O-CG2 3.3Å
78	D	98.4	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	169.2	178.3	-137.7	-23.8	0	0	0	113.1	I49 V50 N51 A52 Q114 H185 T352 F353	I49-D78 HydrophobicContact CG2-CB 3.85Å; V50-D78 PolarHBondContact O-N 2.97Å; N51-D78 WeakPolarHBondContact CA-O 3.46Å; A52-D78 PolarHBondContact N-O 3.3Å; D78-Q114 PolarHBondContact OD1-NE2 2.97Å; D78-H185 IonicContact OD1-CE1 3.55Å; D78-H185 IonicContact OD2-CE1 3.16Å; D78-H185 IonicContact OD2-ND1 3.54Å; D78-T352 WeakPolarHBondContact OD2-CB 3.42Å; D78-F353 HydrophobicContact CB-CD2 4.49Å; D78-F353 PolarHBondContact OD2-N 3.27Å
79	V	98.9	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.7	-180	59.4	0	0	0	0	111.1	N51 A52 I65 L69 L105 I109 P116 G117	N51-V79 PolarHBondContact OD1-N 2.83Å; A52-V79 HydrophobicContact CB-CB 4.25Å; A52-V79 HydrophobicContact CB-CG2 4.16Å; A52-V79 VanDerWaalsContact O-CA 3.3Å; A52-V79 WeakPolarHBondContact O-CA 3.44Å; A52-V79 WeakPolarHBondContact O-CG2 3.49Å; I65-V79 HydrophobicContact CG2-CB 4.41Å; I65-V79 HydrophobicContact CG2-CG2 3.99Å; L69-V79 HydrophobicContact CD1-CG1 4.46Å; V79-L105 HydrophobicContact CG1-CD1 4.46Å; V79-L105 HydrophobicContact CG2-CD2 4.21Å; V79-I109 HydrophobicContact CG1-CG2 4.17Å; V79-P116 HydrophobicContact CG1-CB 3.95Å; V79-P116 CarbonylContact O-C 3.59Å; V79-P116 VanDerWaalsContact O-CA 3.3Å; V79-P116 WeakPolarHBondContact O-CA 3.33Å; V79-P116 WeakPolarHBondContact O-CB 3.4Å; V79-G117 PolarHBondContact O-N 3.35Å
80	S	98.9	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.8	170.9	61.2	0	0	0	0	110.6	N51 A52 D53 D54 G55 G117 D187	N51-S80 PolarHBondContact ND2-OG 3.42Å; A52-S80 PolarHBondContact O-N 3.37Å; D53-S80 PolarHBondContact OD1-OG 2.82Å; D54-S80 PolarHBondContact N-O 3.23Å; G55-S80 PolarHBondContact N-O 3.09Å; S80-G117 WeakPolarHBondContact CA-O 3.38Å; S80-D187 VanDerWaalsContact CB-OD1 3.31Å; S80-D187 WeakPolarHBondContact CB-OD1 3.23Å; S80-D187 WeakPolarHBondContact CB-OD2 3.21Å; S80-D187 PolarHBondContact OG-OD1 2.86Å; S80-D187 PolarHBondContact OG-OD2 3.29Å; S80-D187 VanDerWaalsContact OG-OD2 3.08Å
81	V	98.9	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.6	-172.1	-61.7	0	0	0	0	113.9	G55 F56 M83 L105 P116 G117 H119 F175 F179	G55-V81 WeakPolarHBondContact O-CA 3.42Å; F56-V81 HydrophobicContact CB-CB 4.41Å; F56-V81 HydrophobicContact CD1-CG1 4.34Å; F56-V81 HydrophobicContact CD2-CB 3.72Å; F56-V81 HydrophobicContact CD2-CG1 3.94Å; F56-V81 HydrophobicContact CD2-CG2 4.1Å; F56-V81 HydrophobicContact CE2-CB 4.2Å; F56-V81 HydrophobicContact CE2-CG1 4.13Å; F56-V81 HydrophobicContact CE2-CG2 4.24Å; F56-V81 HydrophobicContact CG-CB 4.08Å; F56-V81 HydrophobicContact CG-CG1 4.06Å; F56-V81 HydrophobicContact CZ-CG1 4.4Å; V81-M83 HydrophobicContact CG2-SD 3.96Å; V81-L105 HydrophobicContact CG1-CD2 4.49Å; V81-P116 HydrophobicContact CG1-CB 4.06Å; V81-P116 HydrophobicContact CG1-CG 4.27Å; V81-P116 HydrophobicContact CG2-CG 4.26Å; V81-G117 WeakPolarHBondContact CG2-O 3.48Å; V81-G117 PolarHBondContact N-O 2.62Å; V81-H119 PolarHBondContact O-N 3.13Å; V81-F175 HydrophobicContact CG2-CD2 3.94Å; V81-F175 HydrophobicContact CG2-CE2 3.79Å; V81-F179 HydrophobicContact CG2-CE2 4.07Å; V81-F179 HydrophobicContact CG2-CZ 4.5Å
82	L	98.7	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.			trans	-88.2	108.2	174.6	-73.6	162.8	0	0	0	110.5	D54 G55 Y57 N84 G85 A88 H119 N121 H189	D54-L82 HydrophobicContact CB-CD1 3.71Å; G55-L82 PolarHBondContact O-N 2.88Å; Y57-L82 HydrophobicContact CD2-CD1 3.68Å; L82-N84 VanDerWaalsContact C-N 3.25Å; L82-N84 PolarHBondContact O-N 3.13Å; L82-G85 PolarHBondContact O-N 2.92Å; L82-G85 VanDerWaalsContact O-N 3.1Å; L82-A88 VanDerWaalsContact O-CB 3.27Å; L82-A88 WeakPolarHBondContact O-CB 3.5Å; L82-H119 HydrophobicContact CD2-CB 4.22Å; L82-H119 WeakPolarHBondContact CD2-O 3.42Å; L82-H119 HydrophobicContact CG-CB 4.21Å; L82-N121 HydrophobicContact CD2-CB 3.69Å; L82-H189 HydrophobicContact CD2-CB 4.04Å
83	M	98.5	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.2	-176.5	-67.8	-51.4	-48.3	0	0	114.5	F56 V81 A88 L92 L118 L128 A174 F175 V178	F56-M83 HydrophobicContact CD2-SD 4.44Å; V81-M83 HydrophobicContact CG2-SD 3.96Å; M83-A88 HydrophobicContact CE-CB 4.05Å; M83-A88 VanDerWaalsContact O-CB 3.31Å; M83-A88 WeakPolarHBondContact O-CB 3.42Å; M83-L92 HydrophobicContact CE-CD1 4.31Å; M83-L92 HydrophobicContact CE-CG 4.44Å; M83-L118 HydrophobicContact CB-CD1 4.45Å; M83-L118 HydrophobicContact CG-CD1 3.66Å; M83-L128 HydrophobicContact CB-CD1 3.8Å; M83-A174 HydrophobicContact CB-CB 4.14Å; M83-A174 HydrophobicContact CE-CB 3.96Å; M83-A174 HydrophobicContact CG-CB 4.49Å; M83-F175 HydrophobicContact CG-CB 4.07Å; M83-F175 HydrophobicContact CG-CD2 4.44Å; M83-F175 HydrophobicContact SD-CB 4.14Å; M83-F175 HydrophobicContact SD-CD2 4.09Å; M83-V178 HydrophobicContact CE-CB 4.18Å; M83-V178 HydrophobicContact CE-CG2 3.67Å
84	N	96.8	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6.1	170.7	73.3	-32.2	0	0	0	113.7	L82 K89 N121 E124 K126 L128	L82-N84 VanDerWaalsContact C-N 3.25Å; L82-N84 PolarHBondContact O-N 3.13Å; N84-K89 WeakPolarHBondContact O-CE 3.21Å; N84-K89 PolarHBondContact O-NZ 3.27Å; N84-N121 PolarHBondContact ND2-ND2 3.37Å; N84-N121 PolarHBondContact OD1-ND2 2.95Å; N84-E124 PolarHBondContact ND2-O 3.25Å; N84-K126 PolarHBondContact ND2-O 3.07Å; N84-K126 VanDerWaalsContact ND2-O 3.11Å; N84-L128 HydrophobicContact CB-CD2 3.97Å; N84-L128 HydrophobicContact CB-CG 4.02Å
85	G	96.3	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-70.2	162.7	173.3	0	0	0	0	0	113.4	F56 L82 V87 A88 K89 G311	F56-G85 CarbonylContact O-C 3.51Å; F56-G85 WeakPolarHBondContact O-CA 3.5Å; L82-G85 PolarHBondContact O-N 2.92Å; L82-G85 VanDerWaalsContact O-N 3.1Å; G85-V87 PolarHBondContact O-N 3Å; G85-A88 PolarHBondContact O-N 3.28Å; G85-K89 WeakPolarHBondContact O-CG 3.34Å; G85-K89 PolarHBondContact O-N 3.45Å; G85-G311 CarbonylContact C-O 3.47Å
86	A	94.7	Very high	97.3	Very high	20 Å²	20	25.1 Å²	25.1	17%	0.165	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-43.5	-175.5	0	0	0	0	0	112.9	F56 Y57 K89 G90 L309 G311	F56-A86 PolarHBondContact O-N 3.21Å; Y57-A86 WeakPolarHBondContact O-CB 3.48Å; Y57-A86 PolarHBondContact O-N 2.93Å; A86-K89 PolarHBondContact O-N 3.39Å; A86-G90 PolarHBondContact O-N 3.5Å; A86-G90 VanDerWaalsContact O-N 3.15Å; A86-L309 VanDerWaalsContact CB-O 3.22Å; A86-L309 WeakPolarHBondContact CB-O 3.33Å; A86-G311 PolarHBondContact N-O 3.32Å
87	V	96.6	Very high	97.1	Very high	18 Å²	18	31.3 Å²	31.3	11%	0.109	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-43.2	178.5	-178.9	0	0	0	0	110.2	F56 S58 G85 K89 G90 L91 S103	F56-V87 HydrophobicContact CB-CB 3.98Å; F56-V87 HydrophobicContact CB-CG1 4.42Å; F56-V87 HydrophobicContact CD1-CB 4.24Å; F56-V87 HydrophobicContact CD1-CG1 3.77Å; F56-V87 HydrophobicContact CE1-CG1 4.32Å; F56-V87 HydrophobicContact CG-CB 4.33Å; F56-V87 HydrophobicContact CG-CG1 4.24Å; F56-V87 WeakPolarHBondContact O-CB 3.39Å; F56-V87 PolarHBondContact O-N 3.1Å; F56-V87 VanDerWaalsContact O-N 3.14Å; S58-V87 VanDerWaalsContact C-CG2 3.46Å; G85-V87 PolarHBondContact O-N 3Å; V87-K89 PolarHBondContact O-N 2.95Å; V87-G90 PolarHBondContact O-N 3.01Å; V87-G90 VanDerWaalsContact O-N 3.16Å; V87-L91 HydrophobicContact CG1-CD1 4.01Å; V87-L91 HydrophobicContact CG1-CG 4.35Å; V87-L91 WeakPolarHBondContact O-CG 3.22Å; V87-L91 PolarHBondContact O-N 2.68Å; V87-S103 WeakPolarHBondContact CG1-OG 3.49Å
88	A	97.9	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-42.9	177.9	0	0	0	0	0	112.1	F56 L82 M83 G85 G90 L91 L92	F56-A88 HydrophobicContact CB-CB 4.03Å; F56-A88 HydrophobicContact CD2-CB 3.96Å; F56-A88 HydrophobicContact CG-CB 4.39Å; L82-A88 VanDerWaalsContact O-CB 3.27Å; L82-A88 WeakPolarHBondContact O-CB 3.5Å; M83-A88 HydrophobicContact CE-CB 4.05Å; M83-A88 VanDerWaalsContact O-CB 3.31Å; M83-A88 WeakPolarHBondContact O-CB 3.42Å; G85-A88 PolarHBondContact O-N 3.28Å; A88-G90 VanDerWaalsContact C-N 3.31Å; A88-G90 PolarHBondContact O-N 3.05Å; A88-L91 PolarHBondContact O-N 2.78Å; A88-L92 WeakPolarHBondContact O-CB 3.35Å; A88-L92 VanDerWaalsContact O-CG 3.28Å; A88-L92 WeakPolarHBondContact O-CG 3.49Å; A88-L92 PolarHBondContact O-N 3Å
89	K	95.6	Very high	97	Very high	70 Å²	70	35.3 Å²	35.3	30%	0.304	19%	0.189	S	C	.	.	H	α-helix	trans	-58.3	-42.4	174.3	-72.3	166.3	178.5	153	0	112	N84 G85 A86 V87 S93 C312	N84-K89 WeakPolarHBondContact O-CE 3.21Å; N84-K89 PolarHBondContact O-NZ 3.27Å; G85-K89 WeakPolarHBondContact O-CG 3.34Å; G85-K89 PolarHBondContact O-N 3.45Å; A86-K89 PolarHBondContact O-N 3.39Å; V87-K89 PolarHBondContact O-N 2.95Å; K89-S93 WeakPolarHBondContact O-CB 3.34Å; K89-S93 PolarHBondContact O-N 3.32Å; K89-S93 PolarHBondContact O-OG 2.86Å; K89-C312 PolarHBondContact NZ-O 3.13Å; K89-C312 VanDerWaalsContact NZ-O 3.16Å
90	G	95.6	Very high	97	Very high	24 Å²	24	37.7 Å²	37.7	25%	0.247	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-46.8	174.2	0	0	0	0	0	112.5	A86 V87 A88 S93 S94	A86-G90 PolarHBondContact O-N 3.5Å; A86-G90 VanDerWaalsContact O-N 3.15Å; V87-G90 PolarHBondContact O-N 3.01Å; V87-G90 VanDerWaalsContact O-N 3.16Å; A88-G90 VanDerWaalsContact C-N 3.31Å; A88-G90 PolarHBondContact O-N 3.05Å; G90-S93 PolarHBondContact O-N 3.27Å; G90-S94 PolarHBondContact O-N 2.9Å; G90-S94 PolarHBondContact O-OG 3.34Å
91	L	98.2	Very high	96.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-36.6	179.2	-66.5	171.6	0	0	0	113.4	F56 V87 A88 S93 S94 R99 M102 F106 V178	F56-L91 HydrophobicContact CD1-CD1 4.28Å; F56-L91 HydrophobicContact CD2-CD1 4.17Å; F56-L91 HydrophobicContact CE1-CD1 3.77Å; F56-L91 HydrophobicContact CE2-CD1 3.63Å; F56-L91 HydrophobicContact CG-CD1 4.47Å; F56-L91 HydrophobicContact CZ-CD1 3.41Å; F56-L91 VanDerWaalsContact CZ-CD1 3.41Å; V87-L91 HydrophobicContact CG1-CD1 4.01Å; V87-L91 HydrophobicContact CG1-CG 4.35Å; V87-L91 WeakPolarHBondContact O-CG 3.22Å; V87-L91 PolarHBondContact O-N 2.68Å; A88-L91 PolarHBondContact O-N 2.78Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.43Å; L91-S94 PolarHBondContact O-N 3.4Å; L91-S94 PolarHBondContact O-OG 3.11Å; L91-R99 HydrophobicContact CD2-CB 3.61Å; L91-R99 HydrophobicContact CD2-CG 3.72Å; L91-R99 PolarHBondContact O-NE 3.48Å; L91-R99 PolarHBondContact O-NH2 2.81Å; L91-M102 HydrophobicContact CD2-CB 4.45Å; L91-F106 HydrophobicContact CD1-CB 4.1Å; L91-F106 HydrophobicContact CD1-CD2 4.14Å; L91-F106 HydrophobicContact CD1-CG 4.35Å; L91-F106 HydrophobicContact CD2-CB 4.29Å; L91-F106 HydrophobicContact CD2-CD2 4.48Å; L91-F106 HydrophobicContact CD2-CG 4.23Å; L91-V178 HydrophobicContact CB-CG1 4.28Å; L91-V178 HydrophobicContact CB-CG2 4.11Å; L91-V178 HydrophobicContact CD1-CG1 4.14Å
92	L	97.5	Very high	96.7	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-67.6	-30	176.2	-75.9	165	0	0	0	112.3	M83 A88 A174 N177 V178	M83-L92 HydrophobicContact CE-CD1 4.31Å; M83-L92 HydrophobicContact CE-CG 4.44Å; A88-L92 WeakPolarHBondContact O-CB 3.35Å; A88-L92 VanDerWaalsContact O-CG 3.28Å; A88-L92 WeakPolarHBondContact O-CG 3.49Å; A88-L92 PolarHBondContact O-N 3Å; L92-A174 HydrophobicContact CD1-CB 4.04Å; L92-A174 HydrophobicContact CD2-CB 3.96Å; L92-N177 HydrophobicContact CD2-CB 4.05Å; L92-V178 HydrophobicContact CD2-CG2 3.67Å; L92-V178 HydrophobicContact CG-CG2 3.82Å
93	S	96.7	Very high	96.7	Very high	111 Å²	111	48.6 Å²	48.6	78%	0.776	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.9	-178.7	-53	0	0	0	0	113.4	K89 G90 L91	K89-S93 WeakPolarHBondContact O-CB 3.34Å; K89-S93 PolarHBondContact O-N 3.32Å; K89-S93 PolarHBondContact O-OG 2.86Å; G90-S93 PolarHBondContact O-N 3.27Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.43Å
94	S	96.8	Very high	96.7	Very high	12 Å²	12	53.6 Å²	53.6	8%	0.084	28%	0.283	C	S	.	.	S	Bend	trans	-115.7	149.5	-177.6	67.3	0	0	0	0	113.1	G90 L91 R99 M102	G90-S94 PolarHBondContact O-N 2.9Å; G90-S94 PolarHBondContact O-OG 3.34Å; L91-S94 PolarHBondContact O-N 3.4Å; L91-S94 PolarHBondContact O-OG 3.11Å; S94-R99 PolarHBondContact O-NE 2.97Å; S94-R99 PolarHBondContact O-NH2 3.35Å; S94-R99 WeakPolarHBondContact OG-CG 3.48Å; S94-M102 WeakPolarHBondContact CB-SD 3.34Å; S94-M102 PolarHBondContact OG-SD 2.85Å
95	P	96.3	Very high	96.8	Very high	56 Å²	56	53.6 Å²	53.6	36%	0.364	28%	0.283	S	S	.	.			trans	-66.7	148.8	172.9	30.2	-35	0	0	0	110.4	H97 E98	P95-H97 VanDerWaalsContact C-N 3.27Å; P95-H97 PolarHBondContact O-N 3.41Å; P95-H97 VanDerWaalsContact O-N 3.12Å; P95-E98 HydrophobicContact CG-CB 4.08Å; P95-E98 HydrophobicContact CG-CG 3.74Å; P95-E98 WeakPolarHBondContact CG-OE1 3.4Å; P95-E98 PolarHBondContact O-N 3Å
96	Y	94.4	Very high	96.9	Very high	138 Å²	138	53.6 Å²	53.6	54%	0.541	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-52.6	-41.3	-172.3	179.4	-91	0	0	0	114.2	E98 R99 F106	Y96-E98 PolarHBondContact O-N 2.76Å; Y96-E98 VanDerWaalsContact O-N 3.16Å; Y96-R99 WeakPolarHBondContact O-CB 3.45Å; Y96-R99 PolarHBondContact O-N 3.2Å; Y96-F106 HydrophobicContact CD2-CZ 4.49Å; Y96-F106 HydrophobicContact CE2-CZ 4Å
97	H	95.3	Very high	97.1	Very high	136 Å²	136	53.8 Å²	53.8	63%	0.63	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-67.1	-13.5	-179.4	68.7	-84.8	0	0	0	113.5	P95 Q101	P95-H97 VanDerWaalsContact C-N 3.27Å; P95-H97 PolarHBondContact O-N 3.41Å; P95-H97 VanDerWaalsContact O-N 3.12Å; H97-Q101 PolarHBondContact O-OE1 2.94Å
98	E	97.4	Very high	97.2	Very high	77 Å²	77	53.5 Å²	53.5	36%	0.36	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-97.3	-9.6	176.4	-66.3	177.3	-160.9	0	0	114.8	P95 Y96 Q101 M102	P95-E98 HydrophobicContact CG-CB 4.08Å; P95-E98 HydrophobicContact CG-CG 3.74Å; P95-E98 WeakPolarHBondContact CG-OE1 3.4Å; P95-E98 PolarHBondContact O-N 3Å; Y96-E98 PolarHBondContact O-N 2.76Å; Y96-E98 VanDerWaalsContact O-N 3.16Å; E98-Q101 VanDerWaalsContact O-CG 3.31Å; E98-Q101 WeakPolarHBondContact O-CG 3.46Å; E98-Q101 PolarHBondContact O-NE2 2.82Å; E98-Q101 PolarHBondContact O-OE1 2.77Å; E98-M102 VanDerWaalsContact O-CG 3.28Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å
99	R	97.7	Very high	97.2	Very high	23 Å²	23	53.5 Å²	53.5	9%	0.087	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-40.6	-176.1	-67.5	177.9	-173.8	163.3	1	114	L91 S94 Y96 Q101 M102 S103 F106 N177 V178	L91-R99 HydrophobicContact CD2-CB 3.61Å; L91-R99 HydrophobicContact CD2-CG 3.72Å; L91-R99 PolarHBondContact O-NE 3.48Å; L91-R99 PolarHBondContact O-NH2 2.81Å; S94-R99 PolarHBondContact O-NE 2.97Å; S94-R99 PolarHBondContact O-NH2 3.35Å; S94-R99 WeakPolarHBondContact OG-CG 3.48Å; Y96-R99 WeakPolarHBondContact O-CB 3.45Å; Y96-R99 PolarHBondContact O-N 3.2Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 3.44Å; R99-M102 PolarHBondContact O-N 3.4Å; R99-S103 PolarHBondContact O-N 2.9Å; R99-F106 HydrophobicContact CB-CD1 3.65Å; R99-F106 HydrophobicContact CB-CE1 3.35Å; R99-F106 HydrophobicContact CB-CE2 4.46Å; R99-F106 HydrophobicContact CB-CG 4.33Å; R99-F106 HydrophobicContact CB-CZ 3.81Å; R99-F106 HydrophobicContact CG-CE1 4.48Å; R99-N177 PolarHBondContact NH1-O 2.71Å; R99-N177 PolarHBondContact NH2-O 3.28Å; R99-V178 PolarHBondContact NH1-O 2.84Å
100	P	97.4	Very high	97.3	Very high	50 Å²	50	52.4 Å²	52.4	33%	0.325	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-25.6	-178.9	-24.9	35.9	0	0	0	115.1	F106 S107	P100-F106 HydrophobicContact CG-CD1 4.38Å; P100-F106 HydrophobicContact CG-CE1 4.12Å; P100-S107 VanDerWaalsContact O-CB 3.25Å; P100-S107 WeakPolarHBondContact O-CB 3.4Å; P100-S107 PolarHBondContact O-OG 2.98Å
101	Q	96.7	Very high	97.4	Very high	129 Å²	129	58.2 Å²	58.2	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-85.9	-18.9	173.6	69.2	-93.6	32.7	0	0	113.5	H97 E98 R99	H97-Q101 PolarHBondContact O-OE1 2.94Å; E98-Q101 VanDerWaalsContact O-CG 3.31Å; E98-Q101 WeakPolarHBondContact O-CG 3.46Å; E98-Q101 PolarHBondContact O-NE2 2.82Å; E98-Q101 PolarHBondContact O-OE1 2.77Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 3.44Å
102	M	96.1	Very high	97.3	Very high	97 Å²	97	63.5 Å²	63.5	48%	0.478	32%	0.318	S	S	.	.	H	α-helix	trans	-86.3	-31	-177.6	-70.3	179.3	75	0	0	113.1	L91 S94 E98 R99	L91-M102 HydrophobicContact CD2-CB 4.45Å; S94-M102 WeakPolarHBondContact CB-SD 3.34Å; S94-M102 PolarHBondContact OG-SD 2.85Å; E98-M102 VanDerWaalsContact O-CG 3.28Å; E98-M102 WeakPolarHBondContact O-CG 3.49Å; R99-M102 PolarHBondContact O-N 3.4Å
103	S	98.2	Very high	97.3	Very high	3 Å²	3	71.6 Å²	71.6	2%	0.021	35%	0.345	C	S	.	.			trans	-133.1	119.9	-179	169.5	0	0	0	0	111.1	V87 R99 L105 F106 S107	V87-S103 WeakPolarHBondContact CG1-OG 3.49Å; R99-S103 PolarHBondContact O-N 2.9Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 PolarHBondContact O-N 3.33Å; S103-L105 PolarHBondContact OG-N 3.07Å; S103-F106 PolarHBondContact O-N 2.94Å; S103-F106 PolarHBondContact OG-N 3.28Å; S103-S107 VanDerWaalsContact O-CB 3.27Å; S103-S107 WeakPolarHBondContact O-CB 3.46Å; S103-S107 PolarHBondContact O-N 3.19Å
104	L	98.2	Very high	97.3	Very high	105 Å²	105	67.8 Å²	67.8	55%	0.55	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-41.8	172.9	-70.1	176.6	0	0	0	111.3	Q63 V66 S107 H108	Q63-L104 HydrophobicContact CB-CD1 4.37Å; Q63-L104 HydrophobicContact CG-CD1 4.36Å; V66-L104 HydrophobicContact CG2-CB 4.4Å; L104-S107 PolarHBondContact O-N 3.41Å; L104-H108 VanDerWaalsContact O-CB 3.31Å; L104-H108 WeakPolarHBondContact O-CB 3.34Å; L104-H108 PolarHBondContact O-N 3.39Å
105	L	98.7	Very high	97.4	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-48.3	179	-179.6	60.3	0	0	0	111.4	F56 D62 I65 V66 L69 V79 V81 S103 S107 H108 I109	F56-L105 HydrophobicContact CD1-CB 4.49Å; F56-L105 HydrophobicContact CD1-CD2 3.93Å; F56-L105 HydrophobicContact CD1-CG 4.45Å; F56-L105 HydrophobicContact CE1-CB 4.2Å; F56-L105 HydrophobicContact CE1-CD2 4.08Å; F56-L105 HydrophobicContact CE1-CG 4.13Å; D62-L105 HydrophobicContact CB-CB 3.77Å; D62-L105 HydrophobicContact CB-CD2 4.45Å; D62-L105 WeakPolarHBondContact OD1-CD2 3.19Å; D62-L105 WeakPolarHBondContact OD2-CB 3.3Å; I65-L105 HydrophobicContact CG2-CD1 3.91Å; V66-L105 HydrophobicContact CG2-CB 4.04Å; V66-L105 HydrophobicContact CG2-CD1 3.95Å; L69-L105 HydrophobicContact CD1-CD1 3.67Å; V79-L105 HydrophobicContact CG1-CD1 4.46Å; V79-L105 HydrophobicContact CG2-CD2 4.21Å; V81-L105 HydrophobicContact CG1-CD2 4.49Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 PolarHBondContact O-N 3.33Å; S103-L105 PolarHBondContact OG-N 3.07Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 2.9Å; L105-H108 PolarHBondContact O-N 2.94Å; L105-H108 VanDerWaalsContact O-N 3.13Å; L105-I109 HydrophobicContact CD1-CG2 3.95Å; L105-I109 HydrophobicContact CG-CD1 4.41Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 2.83Å
106	F	98.7	Very high	97.5	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-47.2	175.4	-178.8	-89.6	0	0	0	111.1	F56 L91 Y96 R99 P100 S103 H108 T110 V178 F179	F56-F106 HydrophobicContact CE1-CB 4.14Å; F56-F106 HydrophobicContact CZ-CB 4.09Å; F56-F106 HydrophobicContact CZ-CD2 4.17Å; L91-F106 HydrophobicContact CD1-CB 4.1Å; L91-F106 HydrophobicContact CD1-CD2 4.14Å; L91-F106 HydrophobicContact CD1-CG 4.35Å; L91-F106 HydrophobicContact CD2-CB 4.29Å; L91-F106 HydrophobicContact CD2-CD2 4.48Å; L91-F106 HydrophobicContact CD2-CG 4.23Å; Y96-F106 HydrophobicContact CD2-CZ 4.49Å; Y96-F106 HydrophobicContact CE2-CZ 4Å; R99-F106 HydrophobicContact CB-CD1 3.65Å; R99-F106 HydrophobicContact CB-CE1 3.35Å; R99-F106 HydrophobicContact CB-CE2 4.46Å; R99-F106 HydrophobicContact CB-CG 4.33Å; R99-F106 HydrophobicContact CB-CZ 3.81Å; R99-F106 HydrophobicContact CG-CE1 4.48Å; P100-F106 HydrophobicContact CG-CD1 4.38Å; P100-F106 HydrophobicContact CG-CE1 4.12Å; S103-F106 PolarHBondContact O-N 2.94Å; S103-F106 PolarHBondContact OG-N 3.28Å; F106-H108 VanDerWaalsContact C-N 3.3Å; F106-H108 PolarHBondContact O-N 3.44Å; F106-T110 HydrophobicContact CD1-CG2 4.08Å; F106-T110 HydrophobicContact CD2-CG2 4.28Å; F106-T110 HydrophobicContact CE1-CG2 3.74Å; F106-T110 HydrophobicContact CE2-CG2 3.96Å; F106-T110 HydrophobicContact CG-CG2 4.34Å; F106-T110 HydrophobicContact CZ-CG2 3.68Å; F106-T110 WeakPolarHBondContact O-CB 3.49Å; F106-T110 VanDerWaalsContact O-CG2 3.25Å; F106-T110 WeakPolarHBondContact O-CG2 3.39Å; F106-T110 PolarHBondContact O-N 3.47Å; F106-T110 PolarHBondContact O-OG1 2.9Å; F106-V178 HydrophobicContact CD2-CG1 3.84Å; F106-V178 HydrophobicContact CE2-CG1 3.66Å; F106-V178 WeakPolarHBondContact CE2-O 3.44Å; F106-F179 HydrophobicContact CD2-CD1 4.27Å; F106-F179 AromaticContact CD2-CE1 3.74Å; F106-F179 HydrophobicContact CD2-CE1 3.74Å; F106-F179 HydrophobicContact CD2-CZ 4.33Å; F106-F179 AromaticContact CE2-CD1 3.96Å; F106-F179 HydrophobicContact CE2-CD1 3.96Å; F106-F179 AromaticContact CE2-CE1 3.91Å; F106-F179 HydrophobicContact CE2-CE1 3.91Å
107	S	98.6	Very high	97.7	Very high	24 Å²	24	60.4 Å²	60.4	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-42.4	176.9	-167.7	0	0	0	0	111.8	P100 S103 L104 L105 T110 R111	P100-S107 VanDerWaalsContact O-CB 3.25Å; P100-S107 WeakPolarHBondContact O-CB 3.4Å; P100-S107 PolarHBondContact O-OG 2.98Å; S103-S107 VanDerWaalsContact O-CB 3.27Å; S103-S107 WeakPolarHBondContact O-CB 3.46Å; S103-S107 PolarHBondContact O-N 3.19Å; L104-S107 PolarHBondContact O-N 3.41Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 2.9Å; S107-T110 PolarHBondContact O-OG1 2.98Å; S107-R111 VanDerWaalsContact O-CB 3.26Å; S107-R111 WeakPolarHBondContact O-CB 3.3Å; S107-R111 PolarHBondContact O-N 3.35Å; S107-R111 PolarHBondContact O-NH2 3.37Å; S107-R111 PolarHBondContact OG-NH2 2.83Å
108	H	98.7	Very high	97.9	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-62.2	178.4	-171.5	98.3	0	0	0	111.7	V66 S70 L104 L105 F106 T110 R111 H112	V66-H108 HydrophobicContact CG1-CB 4.22Å; V66-H108 HydrophobicContact CG2-CB 3.93Å; S70-H108 PolarHBondContact OG-CE1 2.9Å; L104-H108 VanDerWaalsContact O-CB 3.31Å; L104-H108 WeakPolarHBondContact O-CB 3.34Å; L104-H108 PolarHBondContact O-N 3.39Å; L105-H108 PolarHBondContact O-N 2.94Å; L105-H108 VanDerWaalsContact O-N 3.13Å; F106-H108 VanDerWaalsContact C-N 3.3Å; F106-H108 PolarHBondContact O-N 3.44Å; H108-T110 VanDerWaalsContact C-N 3.3Å; H108-T110 PolarHBondContact O-N 3.47Å; H108-R111 WeakPolarHBondContact O-CB 3.33Å; H108-R111 PolarHBondContact O-N 2.83Å; H108-R111 VanDerWaalsContact O-N 3.13Å; H108-H112 AromaticContact CD2-CD2 3.8Å; H108-H112 AromaticContact CE1-CD2 3.73Å; H108-H112 AromaticContact CE1-NE2 3.67Å; H108-H112 AromaticContact NE2-CD2 3.53Å; H108-H112 AromaticContact NE2-NE2 3.89Å; H108-H112 PolarHBondContact O-CD2 3.24Å; H108-H112 VanDerWaalsContact O-CD2 3.24Å; H108-H112 PolarHBondContact O-N 3.25Å; H108-H112 VanDerWaalsContact O-N 3.09Å
109	I	98.1	Very high	98	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-36.5	-174.3	64.5	-164.1	0	0	0	112.3	L69 V79 L105 H112 R113 Q114 P116 F179	L69-I109 HydrophobicContact CD1-CG2 4.13Å; V79-I109 HydrophobicContact CG1-CG2 4.17Å; L105-I109 HydrophobicContact CD1-CG2 3.95Å; L105-I109 HydrophobicContact CG-CD1 4.41Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 2.83Å; I109-H112 CarbonylContact O-C 3.59Å; I109-H112 PolarHBondContact O-N 2.99Å; I109-R113 PolarHBondContact O-N 3.27Å; I109-Q114 HydrophobicContact CB-CB 4.29Å; I109-Q114 PolarHBondContact O-N 3.11Å; I109-P116 HydrophobicContact CD1-CB 4.37Å; I109-P116 HydrophobicContact CD1-CG 3.92Å; I109-F179 HydrophobicContact CD1-CE1 3.63Å; I109-F179 HydrophobicContact CD1-CZ 3.91Å; I109-F179 HydrophobicContact CG1-CE1 4.22Å
110	T	97.4	Very high	98	Very high	46 Å²	46	49.2 Å²	49.2	28%	0.282	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-39.4	176.2	54.4	0	0	0	0	113	F106 S107 H108 H112 R113	F106-T110 HydrophobicContact CD1-CG2 4.08Å; F106-T110 HydrophobicContact CD2-CG2 4.28Å; F106-T110 HydrophobicContact CE1-CG2 3.74Å; F106-T110 HydrophobicContact CE2-CG2 3.96Å; F106-T110 HydrophobicContact CG-CG2 4.34Å; F106-T110 HydrophobicContact CZ-CG2 3.68Å; F106-T110 WeakPolarHBondContact O-CB 3.49Å; F106-T110 VanDerWaalsContact O-CG2 3.25Å; F106-T110 WeakPolarHBondContact O-CG2 3.39Å; F106-T110 PolarHBondContact O-N 3.47Å; F106-T110 PolarHBondContact O-OG1 2.9Å; S107-T110 PolarHBondContact O-OG1 2.98Å; H108-T110 VanDerWaalsContact C-N 3.3Å; H108-T110 PolarHBondContact O-N 3.47Å; T110-H112 VanDerWaalsContact C-N 3.31Å; T110-H112 PolarHBondContact O-N 3.41Å; T110-R113 PolarHBondContact O-N 3.3Å; T110-R113 VanDerWaalsContact O-N 3.16Å
111	R	97.6	Very high	98.1	Very high	146 Å²	146	46.9 Å²	46.9	55%	0.551	21%	0.214	S	C	*	.	H	α-helix	trans	-64.5	-37.1	176	-169.4	-174.2	-37.3	95.9	9	112.3	S107 H108 R113	S107-R111 VanDerWaalsContact O-CB 3.26Å; S107-R111 WeakPolarHBondContact O-CB 3.3Å; S107-R111 PolarHBondContact O-N 3.35Å; S107-R111 PolarHBondContact O-NH2 3.37Å; S107-R111 PolarHBondContact OG-NH2 2.83Å; H108-R111 WeakPolarHBondContact O-CB 3.33Å; H108-R111 PolarHBondContact O-N 2.83Å; H108-R111 VanDerWaalsContact O-N 3.13Å; R111-R113 VanDerWaalsContact C-N 3.27Å
112	H	97.3	Very high	98.2	Very high	113 Å²	113	40.7 Å²	40.7	52%	0.523	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2.4	177	-70.4	-88.1	0	0	0	113.1	H108 I109 T110 Q114	H108-H112 AromaticContact CD2-CD2 3.8Å; H108-H112 AromaticContact CE1-CD2 3.73Å; H108-H112 AromaticContact CE1-NE2 3.67Å; H108-H112 AromaticContact NE2-CD2 3.53Å; H108-H112 AromaticContact NE2-NE2 3.89Å; H108-H112 PolarHBondContact O-CD2 3.24Å; H108-H112 VanDerWaalsContact O-CD2 3.24Å; H108-H112 PolarHBondContact O-N 3.25Å; H108-H112 VanDerWaalsContact O-N 3.09Å; I109-H112 CarbonylContact O-C 3.59Å; I109-H112 PolarHBondContact O-N 2.99Å; T110-H112 VanDerWaalsContact C-N 3.31Å; T110-H112 PolarHBondContact O-N 3.41Å; H112-Q114 PolarHBondContact O-N 3.23Å
113	R	97.1	Very high	98.2	Very high	226 Å²	226	36.4 Å²	36.4	85%	0.853	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	29.4	-176.5	-58.4	-178.6	173.4	-177.3	-2.1	113.4	I109 T110 R111	I109-R113 PolarHBondContact O-N 3.27Å; T110-R113 PolarHBondContact O-N 3.3Å; T110-R113 VanDerWaalsContact O-N 3.16Å; R111-R113 VanDerWaalsContact C-N 3.27Å
114	Q	97.4	Very high	98.1	Very high	30 Å²	30	37.2 Å²	37.2	14%	0.14	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-87.8	127.7	176.2	-178.9	170.9	-6.1	0	0	109.4	S77 D78 I109 H112	S77-Q114 PolarHBondContact O-NE2 2.88Å; D78-Q114 PolarHBondContact OD1-NE2 2.97Å; I109-Q114 HydrophobicContact CB-CB 4.29Å; I109-Q114 PolarHBondContact O-N 3.11Å; H112-Q114 PolarHBondContact O-N 3.23Å
115	I	98	Very high	97.9	Very high	51 Å²	51	32.4 Å²	32.4	26%	0.262	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-96	120	173.6	-56.3	-52.1	0	0	0	107.9	F175 T181 I182 S184	I115-F175 HydrophobicContact CG2-CE1 4.4Å; I115-F175 HydrophobicContact CG2-CZ 4.2Å; I115-T181 HydrophobicContact CD1-CG2 3.63Å; I115-T181 HydrophobicContact CG1-CG2 4.08Å; I115-T181 HydrophobicContact CG2-CG2 3.9Å; I115-I182 WeakPolarHBondContact CG2-O 3.29Å; I115-S184 WeakPolarHBondContact O-CB 3.29Å; I115-S184 PolarHBondContact O-OG 3.2Å
116	P	98.7	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-73.8	169.5	-179.8	32.2	-35.8	0	0	0	111.8	V79 V81 I109 F175 F179 S184	V79-P116 HydrophobicContact CG1-CB 3.95Å; V79-P116 CarbonylContact O-C 3.59Å; V79-P116 VanDerWaalsContact O-CA 3.3Å; V79-P116 WeakPolarHBondContact O-CA 3.33Å; V79-P116 WeakPolarHBondContact O-CB 3.4Å; V81-P116 HydrophobicContact CG1-CB 4.06Å; V81-P116 HydrophobicContact CG1-CG 4.27Å; V81-P116 HydrophobicContact CG2-CG 4.26Å; I109-P116 HydrophobicContact CD1-CB 4.37Å; I109-P116 HydrophobicContact CD1-CG 3.92Å; P116-F175 HydrophobicContact CG-CE2 3.86Å; P116-F175 HydrophobicContact CG-CZ 3.83Å; P116-F175 WeakPolarHBondContact O-CZ 3.4Å; P116-F179 HydrophobicContact CG-CD2 4.43Å; P116-F179 HydrophobicContact CG-CE1 3.9Å; P116-F179 HydrophobicContact CG-CE2 3.79Å; P116-F179 HydrophobicContact CG-CZ 3.48Å; P116-F179 VanDerWaalsContact CG-CZ 3.48Å; P116-S184 PolarHBondContact O-N 2.85Å; P116-S184 VanDerWaalsContact O-N 3.07Å; P116-S184 PolarHBondContact O-OG 3.34Å
117	G	98.8	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	166	166.2	0	0	0	0	0	112.4	V79 S80 V81 H185	V79-G117 PolarHBondContact O-N 3.35Å; S80-G117 WeakPolarHBondContact CA-O 3.38Å; V81-G117 WeakPolarHBondContact CG2-O 3.48Å; V81-G117 PolarHBondContact N-O 2.62Å; G117-H185 WeakPolarHBondContact CA-CE1 3.46Å; G117-H185 WeakPolarHBondContact CA-ND1 3.33Å; G117-H185 WeakPolarHBondContact CA-O 2.96Å; G117-H185 PolarHBondContact N-CE1 3.15Å; G117-H185 PolarHBondContact N-ND1 3.1Å
118	L	98.9	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.4	167.9	174.6	60.2	0	0	0	109.1	M83 F120 Q171 I172 F175 P183 H185 F186 D187	M83-L118 HydrophobicContact CB-CD1 4.45Å; M83-L118 HydrophobicContact CG-CD1 3.66Å; L118-F120 PolarHBondContact O-N 3.12Å; L118-Q171 HydrophobicContact CD1-CB 4.42Å; L118-Q171 HydrophobicContact CD2-CB 4.39Å; L118-I172 HydrophobicContact CD2-CG1 3.71Å; L118-F175 HydrophobicContact CB-CD2 4.4Å; L118-F175 HydrophobicContact CD1-CD2 4.47Å; L118-P183 HydrophobicContact CB-CB 4Å; L118-P183 HydrophobicContact CB-CG 3.64Å; L118-P183 HydrophobicContact CD2-CG 4.44Å; L118-H185 PolarHBondContact N-O 3.02Å; L118-H185 VanDerWaalsContact N-O 3.1Å; L118-F186 HydrophobicContact CB-CD2 4.16Å; L118-F186 HydrophobicContact CB-CE2 4.46Å; L118-F186 HydrophobicContact CD2-CD2 4.16Å; L118-F186 HydrophobicContact CD2-CE2 3.74Å; L118-F186 HydrophobicContact CG-CD2 4.36Å; L118-F186 HydrophobicContact CG-CE2 4.15Å; L118-D187 PolarHBondContact O-N 3.49Å; L118-D187 VanDerWaalsContact O-N 3.1Å; L118-D187 VanDerWaalsContact O-O 3.06Å
119	H	98.9	Very high	97.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	88.6	172	-160.5	49.5	0	0	0	109.1	D53 D54 V81 L82 N121 D187 H189	D53-H119 IonicContact OD2-CE1 3.37Å; D53-H119 PolarHBondContact OD2-CE1 2.9Å; D53-H119 IonicContact OD2-ND1 3.29Å; D53-H119 IonicContact OD2-NE2 2.72Å; D54-H119 IonicContact OD1-CD2 2.64Å; D54-H119 PolarHBondContact OD1-CD2 3.45Å; D54-H119 IonicContact OD1-NE2 3.57Å; D54-H119 PolarHBondContact OD1-NE2 3.22Å; V81-H119 PolarHBondContact O-N 3.13Å; L82-H119 HydrophobicContact CD2-CB 4.22Å; L82-H119 WeakPolarHBondContact CD2-O 3.42Å; L82-H119 HydrophobicContact CG-CB 4.21Å; H119-N121 PolarHBondContact O-N 3.06Å; H119-D187 VanDerWaalsContact CA-OD1 3.22Å; H119-D187 WeakPolarHBondContact CA-OD1 3.37Å; H119-D187 IonicContact CE1-OD1 2.9Å; H119-D187 IonicContact CG-OD1 3.76Å; H119-D187 IonicContact ND1-OD1 3.8Å; H119-D187 PolarHBondContact ND1-OD1 3.05Å; H119-H189 AromaticContact CD2-ND1 3.74Å; H119-H189 VanDerWaalsContact CE1-CA 3.47Å; H119-H189 WeakPolarHBondContact CE1-CA 3.33Å; H119-H189 PolarHBondContact CE1-N 3.01Å; H119-H189 VanDerWaalsContact NE2-CA 3.26Å; H119-H189 WeakPolarHBondContact NE2-CA 3.39Å; H119-H189 AromaticContact NE2-CG 3.87Å; H119-H189 AromaticContact NE2-ND1 3.39Å; H119-H189 PolarHBondContact NE2-ND1 3.48Å
120	F	98.9	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.4	-171.3	174.9	-128.5	0	0	0	112.2	L118 L122 V164 L168 F186 D187 G188 H189 V192 I198 V202	L118-F120 PolarHBondContact O-N 3.12Å; F120-L122 HydrophobicContact CE1-CD1 3.56Å; F120-L122 HydrophobicContact CE1-CD2 4.34Å; F120-L122 HydrophobicContact CE1-CG 3.71Å; F120-L122 HydrophobicContact CE2-CD2 3.89Å; F120-L122 HydrophobicContact CE2-CG 4.01Å; F120-L122 HydrophobicContact CZ-CD1 3.55Å; F120-L122 HydrophobicContact CZ-CD2 3.54Å; F120-L122 HydrophobicContact CZ-CG 3.42Å; F120-L122 VanDerWaalsContact CZ-CG 3.42Å; F120-V164 HydrophobicContact CZ-CG1 4.27Å; F120-L168 HydrophobicContact CD2-CD1 3.7Å; F120-L168 HydrophobicContact CE2-CB 3.79Å; F120-L168 HydrophobicContact CE2-CD1 3.77Å; F120-L168 HydrophobicContact CE2-CG 4.35Å; F120-L168 HydrophobicContact CG-CD1 4.16Å; F120-L168 HydrophobicContact CZ-CB 3.96Å; F120-L168 HydrophobicContact CZ-CD1 4.23Å; F120-F186 HydrophobicContact CB-CE1 3.68Å; F120-F186 HydrophobicContact CB-CE2 4.01Å; F120-F186 HydrophobicContact CB-CZ 3.28Å; F120-F186 HydrophobicContact CD1-CE1 4.22Å; F120-F186 AromaticContact CD1-CZ 3.93Å; F120-F186 HydrophobicContact CD1-CZ 3.93Å; F120-F186 HydrophobicContact CD2-CZ 4.36Å; F120-F186 HydrophobicContact CG-CE1 4.21Å; F120-F186 AromaticContact CG-CZ 3.63Å; F120-F186 HydrophobicContact CG-CZ 3.63Å; F120-D187 WeakPolarHBondContact CB-O 3.2Å; F120-D187 PolarHBondContact N-O 3.1Å; F120-G188 CarbonylContact O-C 3.59Å; F120-G188 WeakPolarHBondContact O-CA 3.33Å; F120-H189 PolarHBondContact O-N 3.13Å; F120-V192 HydrophobicContact CD1-CG2 3.98Å; F120-V192 HydrophobicContact CE1-CG2 4.39Å; F120-V192 WeakPolarHBondContact O-CG2 3.33Å; F120-I198 HydrophobicContact CE1-CG2 4.07Å; F120-V202 HydrophobicContact CD1-CG2 4.09Å; F120-V202 HydrophobicContact CE1-CG2 3.96Å
121	N	98.6	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.209	C	C	.	.			trans	-118.4	128.6	-173.1	-175.9	10.2	0	0	0	112	L82 N84 H119 T123 E124 Q171 H189	L82-N121 HydrophobicContact CD2-CB 3.69Å; N84-N121 PolarHBondContact ND2-ND2 3.37Å; N84-N121 PolarHBondContact OD1-ND2 2.95Å; H119-N121 PolarHBondContact O-N 3.06Å; N121-T123 PolarHBondContact OD1-N 2.93Å; N121-T123 PolarHBondContact OD1-OG1 3.48Å; N121-E124 PolarHBondContact ND2-O 3.26Å; N121-E124 PolarHBondContact OD1-N 3.41Å; N121-Q171 VanDerWaalsContact N-OE1 3.13Å; N121-Q171 PolarHBondContact O-NE2 3.12Å; N121-H189 HydrophobicContact CB-CB 4.14Å
122	L	98.4	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-128.9	8.1	173	-68.9	179.9	0	0	0	112.6	F120 L137 F144 F150 V164 E167 V192 I198	F120-L122 HydrophobicContact CE1-CD1 3.56Å; F120-L122 HydrophobicContact CE1-CD2 4.34Å; F120-L122 HydrophobicContact CE1-CG 3.71Å; F120-L122 HydrophobicContact CE2-CD2 3.89Å; F120-L122 HydrophobicContact CE2-CG 4.01Å; F120-L122 HydrophobicContact CZ-CD1 3.55Å; F120-L122 HydrophobicContact CZ-CD2 3.54Å; F120-L122 HydrophobicContact CZ-CG 3.42Å; F120-L122 VanDerWaalsContact CZ-CG 3.42Å; L122-L137 HydrophobicContact CD2-CD1 4.09Å; L122-F144 HydrophobicContact CD2-CE1 4.27Å; L122-F144 HydrophobicContact CD2-CZ 4.47Å; L122-F144 WeakPolarHBondContact O-CB 3.22Å; L122-F144 WeakPolarHBondContact O-CD1 3.46Å; L122-F144 WeakPolarHBondContact O-CG 3.31Å; L122-F150 HydrophobicContact CB-CD2 4.34Å; L122-F150 HydrophobicContact CB-CE2 3.95Å; L122-F150 HydrophobicContact CB-CZ 4.13Å; L122-F150 HydrophobicContact CD1-CE1 4.41Å; L122-F150 HydrophobicContact CD1-CE2 4.05Å; L122-F150 HydrophobicContact CD1-CZ 3.64Å; L122-V164 HydrophobicContact CD1-CG1 4.03Å; L122-V164 HydrophobicContact CD1-CG2 4.48Å; L122-E167 HydrophobicContact CD2-CB 4.29Å; L122-E167 HydrophobicContact CD2-CG 3.91Å; L122-V192 HydrophobicContact CB-CG1 4.47Å; L122-V192 HydrophobicContact CB-CG2 4.42Å; L122-V192 HydrophobicContact CG-CG2 4.48Å; L122-I198 HydrophobicContact CD1-CD1 4.33Å; L122-I198 HydrophobicContact CD1-CG2 4.19Å
123	T	97	Very high	97.7	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.037	21%	0.211	C	C	.	.	S	Bend	trans	-130.6	-18.6	-164.4	49.3	0	0	0	0	113.8	N121 G146 F150 Q190 V192	N121-T123 PolarHBondContact OD1-N 2.93Å; N121-T123 PolarHBondContact OD1-OG1 3.48Å; T123-G146 WeakPolarHBondContact O-CA 3.43Å; T123-G146 PolarHBondContact O-N 2.74Å; T123-F150 HydrophobicContact CG2-CB 3.75Å; T123-F150 HydrophobicContact CG2-CD1 4.26Å; T123-F150 HydrophobicContact CG2-CG 4.01Å; T123-Q190 PolarHBondContact OG1-OE1 3.06Å; T123-V192 HydrophobicContact CG2-CG1 3.58Å
124	E	95.8	Very high	97.7	Very high	20 Å²	20	35.5 Å²	35.5	9%	0.093	17%	0.17	C	C	.	.	S	Bend	trans	-126.8	128.6	-177.9	-159.6	-167	148.8	0	0	112.6	Y57 N84 N121 F144 H189 C312	Y57-E124 WeakPolarHBondContact CE2-OE1 3.27Å; Y57-E124 WeakPolarHBondContact CE2-OE2 3.44Å; Y57-E124 VanDerWaalsContact CZ-OE1 3.3Å; Y57-E124 PolarHBondContact OH-OE1 3.5Å; N84-E124 PolarHBondContact ND2-O 3.25Å; N121-E124 PolarHBondContact ND2-O 3.26Å; N121-E124 PolarHBondContact OD1-N 3.41Å; E124-F144 WeakPolarHBondContact O-CD2 3.25Å; E124-H189 IonicContact OE2-CE1 3.69Å; E124-H189 IonicContact OE2-NE2 3.46Å; E124-H189 PolarHBondContact OE2-NE2 3.31Å; E124-C312 HydrophobicContact CB-CB 3.97Å; E124-C312 HydrophobicContact CG-CB 3.77Å; E124-C312 WeakPolarHBondContact O-CB 3.38Å
125	G	94.8	Very high	97.8	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	19%	0.188	C	C	.	.	S	Bend	trans	80	-160.3	173.6	0	0	0	0	0	114.8	C143 F144 C312	G125-C143 CarbonylContact O-C 3.54Å; G125-C143 WeakPolarHBondContact O-CA 3.29Å; G125-F144 VanDerWaalsContact O-CD2 3.3Å; G125-F144 WeakPolarHBondContact O-CD2 3.45Å; G125-F144 PolarHBondContact O-N 2.89Å; G125-C312 WeakPolarHBondContact CA-O 3.49Å
126	K	95.2	Very high	97.8	Very high	77 Å²	77	36.8 Å²	36.8	34%	0.335	19%	0.185	S	C	.	.			trans	-86.4	146.4	179.6	-70	173.9	178.9	162.6	0	111	N84 D314	N84-K126 PolarHBondContact ND2-O 3.07Å; N84-K126 VanDerWaalsContact ND2-O 3.11Å; K126-D314 WeakPolarHBondContact CE-O 3.39Å; K126-D314 PolarHBondContact NZ-O 3.46Å; K126-D314 IonicContact NZ-OD2 2.71Å; K126-D314 PolarHBondContact NZ-OD2 2.91Å
127	P	97.3	Very high	97.7	Very high	15 Å²	15	36.8 Å²	36.8	10%	0.097	19%	0.185	C	C	.	.			trans	-65.4	157.3	170.7	31.2	-37.7	0	0	0	111	T131 V134 L138 G142 F144 E167	P127-T131 HydrophobicContact CG-CG2 4.11Å; P127-V134 HydrophobicContact CB-CG2 4.07Å; P127-V134 HydrophobicContact CG-CG2 4.08Å; P127-L138 HydrophobicContact CB-CD2 4.42Å; P127-L138 HydrophobicContact CG-CD1 4.22Å; P127-L138 HydrophobicContact CG-CD2 3.75Å; P127-G142 WeakPolarHBondContact CD-O 3.15Å; P127-F144 HydrophobicContact CB-CE1 3.94Å; P127-F144 HydrophobicContact CB-CE2 4.37Å; P127-F144 HydrophobicContact CB-CZ 3.67Å; P127-E167 VanDerWaalsContact CB-OE2 3.28Å; P127-E167 WeakPolarHBondContact CB-OE2 3.18Å
128	L	97.9	Very high	97.7	Very high	54 Å²	54	37.9 Å²	37.9	28%	0.283	19%	0.191	S	C	.	.	S	Bend	trans	-83.4	-27.9	168.6	-66.9	-177.4	0	0	0	112.2	M83 N84 E167 Q171 A174	M83-L128 HydrophobicContact CB-CD1 3.8Å; N84-L128 HydrophobicContact CB-CD2 3.97Å; N84-L128 HydrophobicContact CB-CG 4.02Å; L128-E167 PolarHBondContact N-OE1 3.37Å; L128-E167 PolarHBondContact N-OE2 2.74Å; L128-Q171 HydrophobicContact CD1-CB 4.38Å; L128-Q171 HydrophobicContact CD1-CG 3.78Å; L128-Q171 HydrophobicContact CG-CG 4.36Å; L128-A174 HydrophobicContact CD1-CB 3.55Å
129	S	98.1	Very high	97.5	Very high	11 Å²	11	40.4 Å²	40.4	8%	0.077	21%	0.205	C	C	.	.	S	Bend	trans	-67.2	159.4	170.5	61.7	0	0	0	0	111.5	T131 V134 E167 S170	S129-T131 PolarHBondContact O-N 2.93Å; S129-V134 VanDerWaalsContact OG-CG1 3.23Å; S129-V134 WeakPolarHBondContact OG-CG1 3.37Å; S129-V134 VanDerWaalsContact OG-CG2 3.27Å; S129-V134 WeakPolarHBondContact OG-CG2 3.31Å; S129-E167 WeakPolarHBondContact CB-OE2 3.3Å; S129-E167 PolarHBondContact N-OE2 2.89Å; S129-E167 PolarHBondContact OG-OE2 3.28Å; S129-S170 WeakPolarHBondContact CB-OG 3.45Å
130	K	97.9	Very high	97.2	Very high	144 Å²	144	48.6 Å²	48.6	63%	0.626	25%	0.249	S	C	*	.			trans	-67.2	127.9	173.1	-61.6	-177.6	-178.9	176.6	0	108.5	K132 F133	K130-K132 HydrophobicContact CB-CG 4.28Å; K130-K132 PolarHBondContact O-N 2.91Å; K130-F133 HydrophobicContact CB-CD2 3.76Å; K130-F133 HydrophobicContact CB-CE2 4.12Å; K130-F133 HydrophobicContact CD-CE2 4.04Å; K130-F133 HydrophobicContact CG-CD2 4.44Å; K130-F133 HydrophobicContact CG-CE2 4.43Å; K130-F133 WeakPolarHBondContact O-CB 3.43Å; K130-F133 PolarHBondContact O-N 3.06Å
131	T	97.1	Very high	96.9	Very high	76 Å²	76	54.3 Å²	54.3	47%	0.466	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-49.7	-36.2	-175.2	54.4	0	0	0	0	114.5	P127 S129 F133 V134 L138	P127-T131 HydrophobicContact CG-CG2 4.11Å; S129-T131 PolarHBondContact O-N 2.93Å; T131-F133 PolarHBondContact O-N 2.96Å; T131-F133 VanDerWaalsContact O-N 3.1Å; T131-V134 PolarHBondContact O-N 3.25Å; T131-V134 VanDerWaalsContact O-N 3.11Å; T131-L138 HydrophobicContact CG2-CD1 3.74Å
132	K	97.8	Very high	96.6	Very high	146 Å²	146	55.2 Å²	55.2	64%	0.635	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-60.4	-17.8	176.1	69.9	173.9	-174.3	169.7	0	115.2	K130	K130-K132 HydrophobicContact CB-CG 4.28Å; K130-K132 PolarHBondContact O-N 2.91Å
133	F	98.3	Very high	96.5	Very high	109 Å²	109	55.3 Å²	55.3	48%	0.478	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-98.9	-7.1	179.7	-62	-48	0	0	0	113.2	K130 T131 P135 E163 V166	K130-F133 HydrophobicContact CB-CD2 3.76Å; K130-F133 HydrophobicContact CB-CE2 4.12Å; K130-F133 HydrophobicContact CD-CE2 4.04Å; K130-F133 HydrophobicContact CG-CD2 4.44Å; K130-F133 HydrophobicContact CG-CE2 4.43Å; K130-F133 WeakPolarHBondContact O-CB 3.43Å; K130-F133 PolarHBondContact O-N 3.06Å; T131-F133 PolarHBondContact O-N 2.96Å; T131-F133 VanDerWaalsContact O-N 3.1Å; F133-P135 VanDerWaalsContact C-CD 3.46Å; F133-E163 WeakPolarHBondContact O-CG 3.41Å; F133-V166 HydrophobicContact CB-CG1 4.18Å
134	V	98.5	Very high	96.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.			trans	-134.8	38.2	-179.2	-62.3	0	0	0	0	113.9	P127 S129 T131 S136 L137 L138 E163 V166 E167	P127-V134 HydrophobicContact CB-CG2 4.07Å; P127-V134 HydrophobicContact CG-CG2 4.08Å; S129-V134 VanDerWaalsContact OG-CG1 3.23Å; S129-V134 WeakPolarHBondContact OG-CG1 3.37Å; S129-V134 VanDerWaalsContact OG-CG2 3.27Å; S129-V134 WeakPolarHBondContact OG-CG2 3.31Å; T131-V134 PolarHBondContact O-N 3.25Å; T131-V134 VanDerWaalsContact O-N 3.11Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.8Å; V134-L137 HydrophobicContact CB-CB 4.45Å; V134-L137 HydrophobicContact CB-CD1 3.81Å; V134-L137 HydrophobicContact CB-CG 4.05Å; V134-L137 HydrophobicContact CG1-CD1 4.11Å; V134-L137 WeakPolarHBondContact O-CB 3.2Å; V134-L137 PolarHBondContact O-N 3.26Å; V134-L138 HydrophobicContact CG2-CD1 4.07Å; V134-L138 HydrophobicContact CG2-CG 4.34Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-E163 VanDerWaalsContact CA-OE2 3.28Å; V134-E163 WeakPolarHBondContact CA-OE2 3.38Å; V134-E163 HydrophobicContact CB-CB 4.15Å; V134-E163 HydrophobicContact CG1-CB 3.99Å; V134-E163 WeakPolarHBondContact CG1-O 3.46Å; V134-V166 HydrophobicContact CG1-CB 4.23Å; V134-V166 HydrophobicContact CG1-CG1 3.95Å; V134-E167 HydrophobicContact CG1-CB 4.36Å
135	P	97.9	Very high	96.5	Very high	77 Å²	77	56.4 Å²	56.4	50%	0.5	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30.1	-171.2	27.7	-37.4	0	0	0	114.6	F133 L137 L138 E163	F133-P135 VanDerWaalsContact C-CD 3.46Å; P135-L137 PolarHBondContact O-N 3.19Å; P135-L138 PolarHBondContact O-N 2.7Å; P135-E163 WeakPolarHBondContact CD-OE2 3.16Å; P135-E163 VanDerWaalsContact N-OE2 3.13Å
136	S	98	Very high	96.5	Very high	31 Å²	31	57.5 Å²	57.5	22%	0.217	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-68.8	-18.4	178.5	72.9	0	0	0	0	113.2	V134 L145 I159 N160 E163	V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.8Å; S136-L145 WeakPolarHBondContact O-CD1 3.32Å; S136-I159 VanDerWaalsContact O-CD1 3.23Å; S136-I159 WeakPolarHBondContact O-CD1 3.41Å; S136-N160 PolarHBondContact OG-N 2.86Å; S136-N160 VanDerWaalsContact OG-N 3.16Å; S136-E163 WeakPolarHBondContact CA-OE2 3.44Å; S136-E163 WeakPolarHBondContact CB-OE2 3.25Å; S136-E163 PolarHBondContact N-OE2 3.46Å; S136-E163 VanDerWaalsContact OG-CD 3.24Å; S136-E163 PolarHBondContact OG-OE2 3.11Å
137	L	98.3	Very high	96.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-86.3	-8.9	179.1	-48.7	-172.2	0	0	0	112.7	L122 V134 P135 F144 L145 F150 I159 E163 V164 E167	L122-L137 HydrophobicContact CD2-CD1 4.09Å; V134-L137 HydrophobicContact CB-CB 4.45Å; V134-L137 HydrophobicContact CB-CD1 3.81Å; V134-L137 HydrophobicContact CB-CG 4.05Å; V134-L137 HydrophobicContact CG1-CD1 4.11Å; V134-L137 WeakPolarHBondContact O-CB 3.2Å; V134-L137 PolarHBondContact O-N 3.26Å; P135-L137 PolarHBondContact O-N 3.19Å; L137-F144 HydrophobicContact CB-CD1 4.02Å; L137-F144 HydrophobicContact CB-CE1 4.09Å; L137-F144 HydrophobicContact CD1-CE1 4.18Å; L137-F144 WeakPolarHBondContact O-CA 3.45Å; L137-L145 WeakPolarHBondContact O-CG 3.26Å; L137-L145 PolarHBondContact O-N 3.21Å; L137-F150 HydrophobicContact CD2-CE2 4.15Å; L137-I159 HydrophobicContact CD2-CD1 4.19Å; L137-I159 HydrophobicContact CD2-CG2 3.49Å; L137-I159 VanDerWaalsContact CD2-CG2 3.49Å; L137-E163 HydrophobicContact CD1-CB 4.35Å; L137-E163 HydrophobicContact CG-CB 4.22Å; L137-V164 HydrophobicContact CD2-CG2 4Å; L137-E167 HydrophobicContact CD1-CB 4.1Å
138	L	97.1	Very high	96.4	Very high	23 Å²	23	62.5 Å²	62.5	12%	0.12	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-117.4	150.3	-162.8	-52.6	179.3	0	0	0	113.6	P127 T131 V134 P135 C143 F144 L145	P127-L138 HydrophobicContact CB-CD2 4.42Å; P127-L138 HydrophobicContact CG-CD1 4.22Å; P127-L138 HydrophobicContact CG-CD2 3.75Å; T131-L138 HydrophobicContact CG2-CD1 3.74Å; V134-L138 HydrophobicContact CG2-CD1 4.07Å; V134-L138 HydrophobicContact CG2-CG 4.34Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; P135-L138 PolarHBondContact O-N 2.7Å; L138-C143 CarbonylContact C-O 3.55Å; L138-C143 WeakPolarHBondContact CA-O 3.37Å; L138-F144 HydrophobicContact CD2-CD1 3.95Å; L138-F144 HydrophobicContact CD2-CE1 4.31Å; L138-L145 WeakPolarHBondContact O-CD2 3.49Å
139	N	94.8	Very high	96.3	Very high	53 Å²	53	61 Å²	61	28%	0.283	33%	0.326	S	S	.	.			trans	-84.9	178.6	164.6	67.8	25.7	0	0	0	111.4	N141 G142 C143 L145	N139-N141 PolarHBondContact O-N 3.04Å; N139-N141 VanDerWaalsContact O-N 3.1Å; N139-N141 WeakPolarHBondContact OD1-CA 3.22Å; N139-N141 WeakPolarHBondContact OD1-CB 3.21Å; N139-N141 PolarHBondContact OD1-N 2.95Å; N139-G142 PolarHBondContact O-N 3.36Å; N139-G142 PolarHBondContact OD1-N 3.17Å; N139-C143 VanDerWaalsContact CG-O 3.27Å; N139-C143 PolarHBondContact N-O 2.63Å; N139-C143 PolarHBondContact OD1-N 3.36Å; N139-C143 VanDerWaalsContact OD1-N 3.11Å; N139-C143 PolarHBondContact OD1-O 2.81Å; N139-L145 HydrophobicContact CB-CD2 4.35Å
140	D	93.2	Very high	96.3	Very high	174 Å²	174	60.5 Å²	60.5	93%	0.93	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.2	-177.7	-62.5	-27.1	0	0	0	114.1	G142	D140-G142 VanDerWaalsContact C-N 3.32Å
141	N	91.8	Very high	96.3	Very high	121 Å²	121	54.7 Å²	54.7	65%	0.647	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	3.6	176.1	-62.7	-31.5	0	0	0	112.8	N139 C143	N139-N141 PolarHBondContact O-N 3.04Å; N139-N141 VanDerWaalsContact O-N 3.1Å; N139-N141 WeakPolarHBondContact OD1-CA 3.22Å; N139-N141 WeakPolarHBondContact OD1-CB 3.21Å; N139-N141 PolarHBondContact OD1-N 2.95Å; N141-C143 VanDerWaalsContact C-N 3.26Å; N141-C143 PolarHBondContact O-N 3.45Å
142	G	94.1	Very high	96.3	Very high	19 Å²	19	59.6 Å²	59.6	20%	0.196	31%	0.307	C	S	.	.	S	Bend	trans	71.9	17.6	-177.5	0	0	0	0	0	114.3	P127 N139 D140	P127-G142 WeakPolarHBondContact CD-O 3.15Å; N139-G142 PolarHBondContact O-N 3.36Å; N139-G142 PolarHBondContact OD1-N 3.17Å; D140-G142 VanDerWaalsContact C-N 3.32Å
143	C	95.1	Very high	96.3	Very high	2 Å²	2	54 Å²	54	1%	0.014	29%	0.285	C	S	.	.	S	Bend	trans	-100.8	160.4	172.9	-62.1	0	0	0	0	110.2	G125 L138 N139 N141	G125-C143 CarbonylContact O-C 3.54Å; G125-C143 WeakPolarHBondContact O-CA 3.29Å; L138-C143 CarbonylContact C-O 3.55Å; L138-C143 WeakPolarHBondContact CA-O 3.37Å; N139-C143 VanDerWaalsContact CG-O 3.27Å; N139-C143 PolarHBondContact N-O 2.63Å; N139-C143 PolarHBondContact OD1-N 3.36Å; N139-C143 VanDerWaalsContact OD1-N 3.11Å; N139-C143 PolarHBondContact OD1-O 2.81Å; N141-C143 VanDerWaalsContact C-N 3.26Å; N141-C143 PolarHBondContact O-N 3.45Å
144	F	97	Very high	96.2	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-56.7	153.1	174.1	-69.8	-55.9	0	0	0	112.3	L122 E124 G125 P127 L137 L138 G146 E167	L122-F144 HydrophobicContact CD2-CE1 4.27Å; L122-F144 HydrophobicContact CD2-CZ 4.47Å; L122-F144 WeakPolarHBondContact O-CB 3.22Å; L122-F144 WeakPolarHBondContact O-CD1 3.46Å; L122-F144 WeakPolarHBondContact O-CG 3.31Å; E124-F144 WeakPolarHBondContact O-CD2 3.25Å; G125-F144 VanDerWaalsContact O-CD2 3.3Å; G125-F144 WeakPolarHBondContact O-CD2 3.45Å; G125-F144 PolarHBondContact O-N 2.89Å; P127-F144 HydrophobicContact CB-CE1 3.94Å; P127-F144 HydrophobicContact CB-CE2 4.37Å; P127-F144 HydrophobicContact CB-CZ 3.67Å; L137-F144 HydrophobicContact CB-CD1 4.02Å; L137-F144 HydrophobicContact CB-CE1 4.09Å; L137-F144 HydrophobicContact CD1-CE1 4.18Å; L137-F144 WeakPolarHBondContact O-CA 3.45Å; L138-F144 HydrophobicContact CD2-CD1 3.95Å; L138-F144 HydrophobicContact CD2-CE1 4.31Å; F144-G146 PolarHBondContact O-N 3.19Å; F144-E167 HydrophobicContact CE1-CG 4.26Å; F144-E167 HydrophobicContact CZ-CG 3.82Å
145	L	96.2	Very high	96	Very high	43 Å²	43	56.7 Å²	56.7	23%	0.225	30%	0.301	C	S	.	.			trans	-66.3	-2.6	-174.1	-68.8	165.9	0	0	0	115.6	S136 L137 L138 N139 G149 F150 T153 I159	S136-L145 WeakPolarHBondContact O-CD1 3.32Å; L137-L145 WeakPolarHBondContact O-CG 3.26Å; L137-L145 PolarHBondContact O-N 3.21Å; L138-L145 WeakPolarHBondContact O-CD2 3.49Å; N139-L145 HydrophobicContact CB-CD2 4.35Å; L145-G149 VanDerWaalsContact O-CA 3.31Å; L145-G149 WeakPolarHBondContact O-CA 3.43Å; L145-F150 HydrophobicContact CB-CB 4.34Å; L145-T153 HydrophobicContact CD1-CG2 3.99Å; L145-I159 HydrophobicContact CD1-CD1 4.17Å
146	G	95	Very high	95.7	Very high	26 Å²	26	61 Å²	61	27%	0.268	31%	0.312	S	S	.	.	H	α-helix	trans	79.8	161.8	-172.3	0	0	0	0	0	113	T123 F144 H148 G149 F150	T123-G146 WeakPolarHBondContact O-CA 3.43Å; T123-G146 PolarHBondContact O-N 2.74Å; F144-G146 PolarHBondContact O-N 3.19Å; G146-H148 PolarHBondContact O-N 3.17Å; G146-G149 PolarHBondContact O-N 3.28Å; G146-F150 VanDerWaalsContact O-CB 3.23Å; G146-F150 WeakPolarHBondContact O-CB 3.39Å; G146-F150 PolarHBondContact O-N 2.95Å
147	K	95	Very high	95.1	Very high	59 Å²	59	64.4 Å²	64.4	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-45.6	-55.7	178.8	-172.4	177.1	176.6	179.2	0	113.4	R151 Q190 F235	K147-R151 WeakPolarHBondContact O-CG 2.99Å; K147-R151 PolarHBondContact O-N 3.21Å; K147-Q190 VanDerWaalsContact CA-OE1 3.31Å; K147-Q190 HydrophobicContact CD-CB 4.45Å; K147-Q190 HydrophobicContact CD-CG 4.28Å; K147-Q190 HydrophobicContact CG-CB 4.31Å; K147-Q190 HydrophobicContact CG-CG 4.4Å; K147-F235 VanDerWaalsContact CE-CE2 3.47Å; K147-F235 VanDerWaalsContact NZ-CZ 3.29Å
148	H	95	Very high	94.7	Very high	138 Å²	138	66.4 Å²	66.4	64%	0.639	36%	0.357	S	S	*	.	H	α-helix	trans	-81	-35.6	-175.4	-62.6	-65.8	0	0	0	112.3	G146 R152	G146-H148 PolarHBondContact O-N 3.17Å; H148-R152 VanDerWaalsContact O-CB 3.24Å; H148-R152 WeakPolarHBondContact O-CB 3.32Å; H148-R152 PolarHBondContact O-N 2.67Å
149	G	96.4	Very high	94.8	Very high	24 Å²	24	66 Å²	66	25%	0.247	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-43.9	177.5	0	0	0	0	0	111.6	L145 G146 R152 T153	L145-G149 VanDerWaalsContact O-CA 3.31Å; L145-G149 WeakPolarHBondContact O-CA 3.43Å; G146-G149 PolarHBondContact O-N 3.28Å; G149-R152 PolarHBondContact O-N 2.86Å; G149-T153 WeakPolarHBondContact O-CB 3.38Å; G149-T153 PolarHBondContact O-N 2.87Å; G149-T153 PolarHBondContact O-OG1 3.04Å; G149-T153 VanDerWaalsContact O-OG1 3.07Å
150	F	97.8	Very high	94.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.4	-51.9	175.7	-175.7	-94.8	0	0	0	111.8	L122 T123 L137 L145 G146 R152 T153 L154 I159 V192 L195 I198	L122-F150 HydrophobicContact CB-CD2 4.34Å; L122-F150 HydrophobicContact CB-CE2 3.95Å; L122-F150 HydrophobicContact CB-CZ 4.13Å; L122-F150 HydrophobicContact CD1-CE1 4.41Å; L122-F150 HydrophobicContact CD1-CE2 4.05Å; L122-F150 HydrophobicContact CD1-CZ 3.64Å; T123-F150 HydrophobicContact CG2-CB 3.75Å; T123-F150 HydrophobicContact CG2-CD1 4.26Å; T123-F150 HydrophobicContact CG2-CG 4.01Å; L137-F150 HydrophobicContact CD2-CE2 4.15Å; L145-F150 HydrophobicContact CB-CB 4.34Å; G146-F150 VanDerWaalsContact O-CB 3.23Å; G146-F150 WeakPolarHBondContact O-CB 3.39Å; G146-F150 PolarHBondContact O-N 2.95Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 2.89Å; F150-T153 PolarHBondContact O-N 2.65Å; F150-L154 HydrophobicContact CE1-CD2 4.37Å; F150-L154 WeakPolarHBondContact O-CB 3.33Å; F150-L154 PolarHBondContact O-N 3.5Å; F150-I159 HydrophobicContact CD2-CD1 4.25Å; F150-I159 HydrophobicContact CE2-CD1 4.05Å; F150-I159 HydrophobicContact CE2-CG1 4.16Å; F150-I159 HydrophobicContact CE2-CG2 4.39Å; F150-I159 HydrophobicContact CZ-CG1 4.42Å; F150-V192 HydrophobicContact CD1-CG1 4.5Å; F150-L195 HydrophobicContact CD1-CD1 3.81Å; F150-L195 HydrophobicContact CE1-CD1 3.52Å; F150-I198 HydrophobicContact CE1-CD1 4.45Å; F150-I198 HydrophobicContact CE1-CG1 4.41Å; F150-I198 HydrophobicContact CZ-CD1 3.91Å; F150-I198 HydrophobicContact CZ-CG1 4.34Å
151	R	97.6	Very high	95.1	Very high	22 Å²	22	61 Å²	61	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-41.6	178.1	-74.1	-179.6	174.9	-93.7	-10.1	112.2	K147 L154 M155 L195 E238	K147-R151 WeakPolarHBondContact O-CG 2.99Å; K147-R151 PolarHBondContact O-N 3.21Å; R151-L154 PolarHBondContact O-N 2.96Å; R151-M155 VanDerWaalsContact O-CG 3.3Å; R151-M155 WeakPolarHBondContact O-CG 3.42Å; R151-M155 PolarHBondContact O-N 2.85Å; R151-M155 VanDerWaalsContact O-N 3.09Å; R151-L195 HydrophobicContact CG-CD1 4.29Å; R151-L195 HydrophobicContact CG-CD2 4.41Å; R151-L195 VanDerWaalsContact CZ-CD2 3.42Å; R151-E238 IonicContact NH1-OE1 3.38Å; R151-E238 PolarHBondContact NH1-OE1 3.27Å
152	R	96.9	Very high	95.5	Very high	178 Å²	178	60.7 Å²	60.7	67%	0.672	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-48.6	176.1	-177.1	-176.6	169.2	-174	-4.7	111.2	H148 G149 F150 L154 M155 F156	H148-R152 VanDerWaalsContact O-CB 3.24Å; H148-R152 WeakPolarHBondContact O-CB 3.32Å; H148-R152 PolarHBondContact O-N 2.67Å; G149-R152 PolarHBondContact O-N 2.86Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 2.89Å; R152-L154 PolarHBondContact O-N 2.92Å; R152-M155 PolarHBondContact O-N 2.71Å; R152-F156 HydrophobicContact CG-CD2 3.7Å; R152-F156 HydrophobicContact CG-CE2 4.12Å; R152-F156 WeakPolarHBondContact O-CD2 3.46Å; R152-F156 PolarHBondContact O-N 2.72Å
153	T	97.3	Very high	95.7	Very high	29 Å²	29	60.8 Å²	60.8	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-42.6	179.4	-62.1	0	0	0	0	111.2	L145 G149 F150 M155 F156 S157 G158 I159	L145-T153 HydrophobicContact CD1-CG2 3.99Å; G149-T153 WeakPolarHBondContact O-CB 3.38Å; G149-T153 PolarHBondContact O-N 2.87Å; G149-T153 PolarHBondContact O-OG1 3.04Å; G149-T153 VanDerWaalsContact O-OG1 3.07Å; F150-T153 PolarHBondContact O-N 2.65Å; T153-M155 VanDerWaalsContact C-N 3.28Å; T153-M155 PolarHBondContact O-N 3.29Å; T153-F156 PolarHBondContact O-N 3.07Å; T153-S157 PolarHBondContact O-N 3.37Å; T153-G158 PolarHBondContact O-N 2.67Å; T153-I159 HydrophobicContact CG2-CD1 3.48Å; T153-I159 VanDerWaalsContact CG2-CD1 3.48Å; T153-I159 HydrophobicContact CG2-CG1 4.09Å
154	L	97.3	Very high	95.9	Very high	29 Å²	29	60.7 Å²	60.7	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-56.5	-41.5	175.4	-176.8	64.9	0	0	0	112.1	F150 R151 R152 I159 M161 L195 I198	F150-L154 HydrophobicContact CE1-CD2 4.37Å; F150-L154 WeakPolarHBondContact O-CB 3.33Å; F150-L154 PolarHBondContact O-N 3.5Å; R151-L154 PolarHBondContact O-N 2.96Å; R152-L154 PolarHBondContact O-N 2.92Å; L154-I159 HydrophobicContact CB-CG1 4.01Å; L154-I159 HydrophobicContact CD1-CB 3.93Å; L154-I159 HydrophobicContact CD1-CG1 4.06Å; L154-M161 HydrophobicContact CD1-CE 3.61Å; L154-L195 HydrophobicContact CD2-CB 3.8Å; L154-L195 HydrophobicContact CD2-CD1 4.03Å; L154-L195 HydrophobicContact CD2-CD2 4.31Å; L154-L195 HydrophobicContact CD2-CG 4.29Å; L154-I198 HydrophobicContact CD2-CG1 4.41Å
155	M	93.6	Very high	96	Very high	137 Å²	137	63 Å²	63	68%	0.675	33%	0.331	S	S	*	.	H	α-helix	trans	-77.6	-37.7	-178.4	-71.8	-60	-59.2	0	0	114.5	R151 R152 T153	R151-M155 VanDerWaalsContact O-CG 3.3Å; R151-M155 WeakPolarHBondContact O-CG 3.42Å; R151-M155 PolarHBondContact O-N 2.85Å; R151-M155 VanDerWaalsContact O-N 3.09Å; R152-M155 PolarHBondContact O-N 2.71Å; T153-M155 VanDerWaalsContact C-N 3.28Å; T153-M155 PolarHBondContact O-N 3.29Å
156	F	92.9	Very high	96.1	Very high	167 Å²	167	63.5 Å²	63.5	73%	0.732	34%	0.335	S	S	*	.	H	α-helix	trans	-112.9	-39.8	-167.2	-63.2	-68.3	0	0	0	115	R152 T153	R152-F156 HydrophobicContact CG-CD2 3.7Å; R152-F156 HydrophobicContact CG-CE2 4.12Å; R152-F156 WeakPolarHBondContact O-CD2 3.46Å; R152-F156 PolarHBondContact O-N 2.72Å; T153-F156 PolarHBondContact O-N 3.07Å
157	S	84.2	Confident	96.3	Very high	102 Å²	102	62.2 Å²	62.2	71%	0.713	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-19.7	-172.8	-55.2	0	0	0	0	112.6	T153	T153-S157 PolarHBondContact O-N 3.37Å
158	G	90.5	Very high	96.4	Very high	42 Å²	42	59.4 Å²	59.4	43%	0.433	31%	0.31	S	S	.	.			trans	85.1	136.1	-171.5	0	0	0	0	0	112	T153	T153-G158 PolarHBondContact O-N 2.67Å
159	I	98	Very high	96.6	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.072	30%	0.297	C	S	.	.			trans	-102.9	138.5	164.4	-69.3	-69.4	0	0	0	107.3	S136 L137 L145 F150 T153 L154 M161 V164	S136-I159 VanDerWaalsContact O-CD1 3.23Å; S136-I159 WeakPolarHBondContact O-CD1 3.41Å; L137-I159 HydrophobicContact CD2-CD1 4.19Å; L137-I159 HydrophobicContact CD2-CG2 3.49Å; L137-I159 VanDerWaalsContact CD2-CG2 3.49Å; L145-I159 HydrophobicContact CD1-CD1 4.17Å; F150-I159 HydrophobicContact CD2-CD1 4.25Å; F150-I159 HydrophobicContact CE2-CD1 4.05Å; F150-I159 HydrophobicContact CE2-CG1 4.16Å; F150-I159 HydrophobicContact CE2-CG2 4.39Å; F150-I159 HydrophobicContact CZ-CG1 4.42Å; T153-I159 HydrophobicContact CG2-CD1 3.48Å; T153-I159 VanDerWaalsContact CG2-CD1 3.48Å; T153-I159 HydrophobicContact CG2-CG1 4.09Å; L154-I159 HydrophobicContact CB-CG1 4.01Å; L154-I159 HydrophobicContact CD1-CB 3.93Å; L154-I159 HydrophobicContact CD1-CG1 4.06Å; I159-M161 HydrophobicContact CB-CE 4.02Å; I159-M161 HydrophobicContact CG2-CE 4.06Å; I159-M161 WeakPolarHBondContact O-CE 3.45Å; I159-M161 PolarHBondContact O-N 3.28Å; I159-V164 HydrophobicContact CG2-CG2 3.57Å
160	N	98	Very high	96.7	Very high	69 Å²	69	57 Å²	57	37%	0.369	30%	0.296	S	S	.	.			trans	-78.4	113.1	176.5	-177.4	-7.4	0	0	0	110.2	S136 N162 E163 V164	S136-N160 PolarHBondContact OG-N 2.86Å; S136-N160 VanDerWaalsContact OG-N 3.16Å; N160-N162 PolarHBondContact O-N 3.32Å; N160-N162 WeakPolarHBondContact OD1-CB 3.36Å; N160-N162 PolarHBondContact OD1-N 3.14Å; N160-N162 VanDerWaalsContact OD1-N 3.12Å; N160-E163 HydrophobicContact CB-CB 4.22Å; N160-E163 HydrophobicContact CB-CG 3.73Å; N160-E163 WeakPolarHBondContact CB-OE1 3.44Å; N160-E163 PolarHBondContact ND2-OE1 2.94Å; N160-E163 WeakPolarHBondContact O-CB 3.31Å; N160-E163 PolarHBondContact O-N 2.67Å; N160-V164 PolarHBondContact O-N 3.37Å
161	M	98.3	Very high	96.8	Very high	55 Å²	55	57 Å²	57	27%	0.271	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-25.3	-176.8	-65.2	-60.4	134.9	0	0	113.7	L154 I159 E163 V164 E165 I198 V201	L154-M161 HydrophobicContact CD1-CE 3.61Å; I159-M161 HydrophobicContact CB-CE 4.02Å; I159-M161 HydrophobicContact CG2-CE 4.06Å; I159-M161 WeakPolarHBondContact O-CE 3.45Å; I159-M161 PolarHBondContact O-N 3.28Å; M161-E163 VanDerWaalsContact C-N 3.27Å; M161-E163 PolarHBondContact O-N 2.84Å; M161-V164 WeakPolarHBondContact O-CB 3.34Å; M161-V164 PolarHBondContact O-N 2.89Å; M161-V164 HydrophobicContact SD-CG2 4.3Å; M161-E165 PolarHBondContact O-N 3.46Å; M161-I198 HydrophobicContact CE-CD1 3.87Å; M161-I198 HydrophobicContact SD-CD1 3.85Å; M161-V201 HydrophobicContact CB-CG2 3.93Å; M161-V201 HydrophobicContact CG-CG2 4.44Å; M161-V201 HydrophobicContact SD-CG2 4.17Å
162	N	98.6	Very high	96.9	Very high	113 Å²	113	56.1 Å²	56.1	60%	0.604	29%	0.293	S	S	*	.	H	α-helix	trans	-67	-33	172.7	-66	-22.5	0	0	0	111.4	N160 E165 V166	N160-N162 PolarHBondContact O-N 3.32Å; N160-N162 WeakPolarHBondContact OD1-CB 3.36Å; N160-N162 PolarHBondContact OD1-N 3.14Å; N160-N162 VanDerWaalsContact OD1-N 3.12Å; N162-E165 PolarHBondContact O-N 3.49Å; N162-V166 VanDerWaalsContact O-CG2 3.29Å; N162-V166 WeakPolarHBondContact O-CG2 3.48Å; N162-V166 PolarHBondContact O-N 2.82Å
163	E	98.7	Very high	96.9	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-35.5	177.7	-61.1	179.7	-157.9	0	0	111	F133 V134 P135 S136 L137 N160 M161 V166 E167	F133-E163 WeakPolarHBondContact O-CG 3.41Å; V134-E163 VanDerWaalsContact CA-OE2 3.28Å; V134-E163 WeakPolarHBondContact CA-OE2 3.38Å; V134-E163 HydrophobicContact CB-CB 4.15Å; V134-E163 HydrophobicContact CG1-CB 3.99Å; V134-E163 WeakPolarHBondContact CG1-O 3.46Å; P135-E163 WeakPolarHBondContact CD-OE2 3.16Å; P135-E163 VanDerWaalsContact N-OE2 3.13Å; S136-E163 WeakPolarHBondContact CA-OE2 3.44Å; S136-E163 WeakPolarHBondContact CB-OE2 3.25Å; S136-E163 PolarHBondContact N-OE2 3.46Å; S136-E163 VanDerWaalsContact OG-CD 3.24Å; S136-E163 PolarHBondContact OG-OE2 3.11Å; L137-E163 HydrophobicContact CD1-CB 4.35Å; L137-E163 HydrophobicContact CG-CB 4.22Å; N160-E163 HydrophobicContact CB-CB 4.22Å; N160-E163 HydrophobicContact CB-CG 3.73Å; N160-E163 WeakPolarHBondContact CB-OE1 3.44Å; N160-E163 PolarHBondContact ND2-OE1 2.94Å; N160-E163 WeakPolarHBondContact O-CB 3.31Å; N160-E163 PolarHBondContact O-N 2.67Å; M161-E163 VanDerWaalsContact C-N 3.27Å; M161-E163 PolarHBondContact O-N 2.84Å; E163-V166 PolarHBondContact O-N 3.02Å; E163-E167 PolarHBondContact O-N 3.44Å
164	V	98.9	Very high	97	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-45.8	170.7	177.6	0	0	0	0	110.6	F120 L122 L137 I159 N160 M161 E167 L168 I198 V201	F120-V164 HydrophobicContact CZ-CG1 4.27Å; L122-V164 HydrophobicContact CD1-CG1 4.03Å; L122-V164 HydrophobicContact CD1-CG2 4.48Å; L137-V164 HydrophobicContact CD2-CG2 4Å; I159-V164 HydrophobicContact CG2-CG2 3.57Å; N160-V164 PolarHBondContact O-N 3.37Å; M161-V164 WeakPolarHBondContact O-CB 3.34Å; M161-V164 PolarHBondContact O-N 2.89Å; M161-V164 HydrophobicContact SD-CG2 4.3Å; V164-E167 PolarHBondContact O-N 3.32Å; V164-L168 VanDerWaalsContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CB 3.42Å; V164-L168 PolarHBondContact O-N 3.28Å; V164-I198 HydrophobicContact CB-CD1 4.33Å; V164-I198 HydrophobicContact CG1-CD1 3.87Å; V164-I198 HydrophobicContact CG1-CG2 4.17Å; V164-I198 HydrophobicContact CG2-CD1 3.61Å; V164-V201 HydrophobicContact CB-CG1 4.45Å; V164-V201 HydrophobicContact CG1-CB 4.3Å; V164-V201 HydrophobicContact CG1-CG1 3.97Å
165	E	98.8	Very high	97.1	Very high	56 Å²	56	49 Å²	49	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-44.8	176.4	-177	163.2	-162.2	0	0	111.6	M161 N162 E167 L168 E169 V201 V205 R208	M161-E165 PolarHBondContact O-N 3.46Å; N162-E165 PolarHBondContact O-N 3.49Å; E165-E167 VanDerWaalsContact C-N 3.34Å; E165-E167 PolarHBondContact O-N 3.3Å; E165-L168 PolarHBondContact O-N 2.97Å; E165-E169 HydrophobicContact CG-CG 4.37Å; E165-E169 WeakPolarHBondContact O-CB 3.34Å; E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 2.7Å; E165-V201 HydrophobicContact CB-CG1 3.77Å; E165-V201 HydrophobicContact CG-CG1 4.47Å; E165-V205 HydrophobicContact CG-CG2 3.82Å; E165-R208 IonicContact OE1-CZ 2.97Å; E165-R208 IonicContact OE1-NH1 3.96Å; E165-R208 IonicContact OE1-NH2 3.83Å; E165-R208 PolarHBondContact OE1-NH2 3.03Å
166	V	98.9	Very high	97.3	Very high	52 Å²	52	48.3 Å²	48.3	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-58.1	-44.1	177.3	166.6	0	0	0	0	112	F133 V134 N162 E163 S170	F133-V166 HydrophobicContact CB-CG1 4.18Å; V134-V166 HydrophobicContact CG1-CB 4.23Å; V134-V166 HydrophobicContact CG1-CG1 3.95Å; N162-V166 VanDerWaalsContact O-CG2 3.29Å; N162-V166 WeakPolarHBondContact O-CG2 3.48Å; N162-V166 PolarHBondContact O-N 2.82Å; E163-V166 PolarHBondContact O-N 3.02Å; V166-S170 WeakPolarHBondContact O-CB 3.31Å; V166-S170 PolarHBondContact O-N 2.74Å; V166-S170 VanDerWaalsContact O-N 3.07Å; V166-S170 PolarHBondContact O-OG 2.66Å
167	E	98.9	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.5	-42.1	178.1	179.9	55.5	-157.4	0	0	111.9	L122 P127 L128 S129 V134 L137 F144 E163 V164 E165 E169 S170 Q171	L122-E167 HydrophobicContact CD2-CB 4.29Å; L122-E167 HydrophobicContact CD2-CG 3.91Å; P127-E167 VanDerWaalsContact CB-OE2 3.28Å; P127-E167 WeakPolarHBondContact CB-OE2 3.18Å; L128-E167 PolarHBondContact N-OE1 3.37Å; L128-E167 PolarHBondContact N-OE2 2.74Å; S129-E167 WeakPolarHBondContact CB-OE2 3.3Å; S129-E167 PolarHBondContact N-OE2 2.89Å; S129-E167 PolarHBondContact OG-OE2 3.28Å; V134-E167 HydrophobicContact CG1-CB 4.36Å; L137-E167 HydrophobicContact CD1-CB 4.1Å; F144-E167 HydrophobicContact CE1-CG 4.26Å; F144-E167 HydrophobicContact CZ-CG 3.82Å; E163-E167 PolarHBondContact O-N 3.44Å; V164-E167 PolarHBondContact O-N 3.32Å; E165-E167 VanDerWaalsContact C-N 3.34Å; E165-E167 PolarHBondContact O-N 3.3Å; E167-E169 PolarHBondContact O-N 2.96Å; E167-S170 WeakPolarHBondContact O-CA 3.31Å; E167-S170 WeakPolarHBondContact O-CB 3.49Å; E167-S170 PolarHBondContact O-N 3.46Å; E167-S170 VanDerWaalsContact O-N 3.11Å; E167-Q171 PolarHBondContact O-N 2.92Å; E167-Q171 PolarHBondContact OE1-NE2 3.49Å
168	L	98.9	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-47.6	176	176	56.1	0	0	0	111.6	F120 V164 E165 S170 Q171 I172 F186 V201 V202 V205	F120-L168 HydrophobicContact CD2-CD1 3.7Å; F120-L168 HydrophobicContact CE2-CB 3.79Å; F120-L168 HydrophobicContact CE2-CD1 3.77Å; F120-L168 HydrophobicContact CE2-CG 4.35Å; F120-L168 HydrophobicContact CG-CD1 4.16Å; F120-L168 HydrophobicContact CZ-CB 3.96Å; F120-L168 HydrophobicContact CZ-CD1 4.23Å; V164-L168 VanDerWaalsContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CB 3.42Å; V164-L168 PolarHBondContact O-N 3.28Å; E165-L168 PolarHBondContact O-N 2.97Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 2.91Å; L168-Q171 PolarHBondContact O-N 3.46Å; L168-I172 HydrophobicContact CD1-CD1 3.78Å; L168-I172 HydrophobicContact CD1-CG1 4.23Å; L168-I172 HydrophobicContact CG-CD1 3.84Å; L168-I172 WeakPolarHBondContact O-CG1 3.41Å; L168-I172 PolarHBondContact O-N 3.25Å; L168-F186 HydrophobicContact CD1-CE2 3.63Å; L168-F186 HydrophobicContact CD1-CZ 3.6Å; L168-V201 HydrophobicContact CD2-CG1 4.37Å; L168-V202 HydrophobicContact CD2-CB 4.47Å; L168-V202 HydrophobicContact CD2-CG2 4.06Å; L168-V205 HydrophobicContact CD2-CB 3.71Å; L168-V205 HydrophobicContact CD2-CG1 3.95Å; L168-V205 HydrophobicContact CD2-CG2 3.95Å; L168-V205 HydrophobicContact CG-CB 4.41Å; L168-V205 HydrophobicContact CG-CG1 4.1Å
169	E	98.7	Very high	98.6	Very high	78 Å²	78	39.7 Å²	39.7	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-62.3	-36	175.2	-71.5	-165.9	159.9	0	0	111.7	E165 E167 I172 N173 V205 R208	E165-E169 HydrophobicContact CG-CG 4.37Å; E165-E169 WeakPolarHBondContact O-CB 3.34Å; E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 2.7Å; E167-E169 PolarHBondContact O-N 2.96Å; E169-I172 PolarHBondContact O-N 2.93Å; E169-N173 VanDerWaalsContact O-CB 3.27Å; E169-N173 WeakPolarHBondContact O-CB 3.45Å; E169-N173 PolarHBondContact O-N 3.21Å; E169-N173 PolarHBondContact O-ND2 3.01Å; E169-V205 HydrophobicContact CG-CG1 4.28Å; E169-R208 IonicContact OE1-NH2 3.97Å; E169-R208 PolarHBondContact OE1-NH2 3.42Å
170	S	98.8	Very high	98.5	Very high	32 Å²	32	42.3 Å²	42.3	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-41.8	175.7	-61.1	0	0	0	0	111.9	S129 V166 E167 L168 N173 A174	S129-S170 WeakPolarHBondContact CB-OG 3.45Å; V166-S170 WeakPolarHBondContact O-CB 3.31Å; V166-S170 PolarHBondContact O-N 2.74Å; V166-S170 VanDerWaalsContact O-N 3.07Å; V166-S170 PolarHBondContact O-OG 2.66Å; E167-S170 WeakPolarHBondContact O-CA 3.31Å; E167-S170 WeakPolarHBondContact O-CB 3.49Å; E167-S170 PolarHBondContact O-N 3.46Å; E167-S170 VanDerWaalsContact O-N 3.11Å; L168-S170 VanDerWaalsContact C-N 3.27Å; L168-S170 PolarHBondContact O-N 2.91Å; S170-N173 PolarHBondContact O-N 2.97Å; S170-A174 WeakPolarHBondContact O-CB 3.42Å; S170-A174 PolarHBondContact O-N 3.41Å
171	Q	98.9	Very high	98.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-41.2	175.6	-69.5	-179.2	36.2	0	0	112.9	L118 N121 L128 E167 L168 A174 F175	L118-Q171 HydrophobicContact CD1-CB 4.42Å; L118-Q171 HydrophobicContact CD2-CB 4.39Å; N121-Q171 VanDerWaalsContact N-OE1 3.13Å; N121-Q171 PolarHBondContact O-NE2 3.12Å; L128-Q171 HydrophobicContact CD1-CB 4.38Å; L128-Q171 HydrophobicContact CD1-CG 3.78Å; L128-Q171 HydrophobicContact CG-CG 4.36Å; E167-Q171 PolarHBondContact O-N 2.92Å; E167-Q171 PolarHBondContact OE1-NE2 3.49Å; L168-Q171 PolarHBondContact O-N 3.46Å; Q171-A174 PolarHBondContact O-N 3.24Å; Q171-F175 PolarHBondContact O-N 3.33Å
172	I	98.8	Very high	98.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-43.8	174.1	-70.6	162.5	0	0	0	110.8	L118 L168 E169 F175 R176 V205 I206 I209	L118-I172 HydrophobicContact CD2-CG1 3.71Å; L168-I172 HydrophobicContact CD1-CD1 3.78Å; L168-I172 HydrophobicContact CD1-CG1 4.23Å; L168-I172 HydrophobicContact CG-CD1 3.84Å; L168-I172 WeakPolarHBondContact O-CG1 3.41Å; L168-I172 PolarHBondContact O-N 3.25Å; E169-I172 PolarHBondContact O-N 2.93Å; I172-F175 WeakPolarHBondContact O-CB 3.48Å; I172-F175 PolarHBondContact O-N 3.19Å; I172-R176 WeakPolarHBondContact O-CG 3.35Å; I172-R176 PolarHBondContact O-N 3.47Å; I172-V205 HydrophobicContact CD1-CG1 3.58Å; I172-I206 HydrophobicContact CD1-CG2 4.5Å; I172-I209 HydrophobicContact CD1-CD1 3.83Å; I172-I209 HydrophobicContact CG1-CD1 4.25Å; I172-I209 HydrophobicContact CG2-CD1 3.63Å
173	N	98.6	Very high	98.5	Very high	77 Å²	77	36.1 Å²	36.1	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-65.5	-40.4	178	-74.6	-35.4	0	0	0	111.6	E169 S170 F175 R176 N177	E169-N173 VanDerWaalsContact O-CB 3.27Å; E169-N173 WeakPolarHBondContact O-CB 3.45Å; E169-N173 PolarHBondContact O-N 3.21Å; E169-N173 PolarHBondContact O-ND2 3.01Å; S170-N173 PolarHBondContact O-N 2.97Å; N173-F175 VanDerWaalsContact C-N 3.35Å; N173-R176 PolarHBondContact O-N 2.91Å; N173-N177 WeakPolarHBondContact O-CB 3.19Å; N173-N177 PolarHBondContact O-N 2.9Å; N173-N177 PolarHBondContact O-ND2 3.47Å
174	A	98.8	Very high	98.5	Very high	8 Å²	8	36 Å²	36	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-45.1	172.5	0	0	0	0	0	111.6	M83 L92 L128 S170 Q171 R176 N177 V178	M83-A174 HydrophobicContact CB-CB 4.14Å; M83-A174 HydrophobicContact CE-CB 3.96Å; M83-A174 HydrophobicContact CG-CB 4.49Å; L92-A174 HydrophobicContact CD1-CB 4.04Å; L92-A174 HydrophobicContact CD2-CB 3.96Å; L128-A174 HydrophobicContact CD1-CB 3.55Å; S170-A174 WeakPolarHBondContact O-CB 3.42Å; S170-A174 PolarHBondContact O-N 3.41Å; Q171-A174 PolarHBondContact O-N 3.24Å; A174-R176 VanDerWaalsContact C-N 3.35Å; A174-R176 PolarHBondContact O-N 2.94Å; A174-N177 WeakPolarHBondContact O-CB 3.42Å; A174-N177 PolarHBondContact O-N 3.07Å; A174-V178 PolarHBondContact O-N 3.18Å
175	F	98.8	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-49.5	175.5	-173.7	-76.2	0	0	0	111	V81 M83 I115 P116 L118 Q171 I172 N173 N177 V178 F179 T181 I182 P183	V81-F175 HydrophobicContact CG2-CD2 3.94Å; V81-F175 HydrophobicContact CG2-CE2 3.79Å; M83-F175 HydrophobicContact CG-CB 4.07Å; M83-F175 HydrophobicContact CG-CD2 4.44Å; M83-F175 HydrophobicContact SD-CB 4.14Å; M83-F175 HydrophobicContact SD-CD2 4.09Å; I115-F175 HydrophobicContact CG2-CE1 4.4Å; I115-F175 HydrophobicContact CG2-CZ 4.2Å; P116-F175 HydrophobicContact CG-CE2 3.86Å; P116-F175 HydrophobicContact CG-CZ 3.83Å; P116-F175 WeakPolarHBondContact O-CZ 3.4Å; L118-F175 HydrophobicContact CB-CD2 4.4Å; L118-F175 HydrophobicContact CD1-CD2 4.47Å; Q171-F175 PolarHBondContact O-N 3.33Å; I172-F175 WeakPolarHBondContact O-CB 3.48Å; I172-F175 PolarHBondContact O-N 3.19Å; N173-F175 VanDerWaalsContact C-N 3.35Å; F175-N177 VanDerWaalsContact C-N 3.28Å; F175-N177 PolarHBondContact O-N 3.33Å; F175-V178 PolarHBondContact O-N 3.45Å; F175-V178 VanDerWaalsContact O-N 3.09Å; F175-F179 HydrophobicContact CD1-CB 4.39Å; F175-F179 AromaticContact CD1-CD2 3.8Å; F175-F179 HydrophobicContact CD1-CD2 3.8Å; F175-F179 AromaticContact CD2-CD2 3.88Å; F175-F179 HydrophobicContact CD2-CD2 3.88Å; F175-F179 AromaticContact CD2-CE2 3.96Å; F175-F179 HydrophobicContact CD2-CE2 3.96Å; F175-F179 HydrophobicContact CE1-CB 4Å; F175-F179 AromaticContact CE1-CD2 3.57Å; F175-F179 HydrophobicContact CE1-CD2 3.57Å; F175-F179 HydrophobicContact CE1-CE2 4.4Å; F175-F179 HydrophobicContact CE1-CG 4.05Å; F175-F179 AromaticContact CE2-CD2 3.71Å; F175-F179 HydrophobicContact CE2-CD2 3.71Å; F175-F179 AromaticContact CE2-CE2 3.71Å; F175-F179 HydrophobicContact CE2-CE2 3.71Å; F175-F179 AromaticContact CG-CD2 3.93Å; F175-F179 HydrophobicContact CG-CD2 3.93Å; F175-F179 HydrophobicContact CG-CE2 4.43Å; F175-F179 AromaticContact CZ-CD2 3.53Å; F175-F179 HydrophobicContact CZ-CD2 3.53Å; F175-F179 AromaticContact CZ-CE2 3.92Å; F175-F179 HydrophobicContact CZ-CE2 3.92Å; F175-F179 HydrophobicContact CZ-CG 4.16Å; F175-F179 WeakPolarHBondContact O-CD2 3.47Å; F175-F179 PolarHBondContact O-N 3.49Å; F175-T181 WeakPolarHBondContact CD1-O 3.43Å; F175-I182 VanDerWaalsContact CE1-C 3.47Å; F175-P183 HydrophobicContact CD1-CG 3.73Å; F175-P183 HydrophobicContact CD2-CB 4.49Å; F175-P183 HydrophobicContact CD2-CG 3.86Å; F175-P183 HydrophobicContact CE1-CB 4.15Å; F175-P183 HydrophobicContact CE1-CG 3.83Å; F175-P183 VanDerWaalsContact CE1-N 3.29Å; F175-P183 HydrophobicContact CE2-CB 4.04Å; F175-P183 HydrophobicContact CE2-CG 3.9Å; F175-P183 HydrophobicContact CG-CG 3.77Å; F175-P183 VanDerWaalsContact CZ-CA 3.48Å; F175-P183 HydrophobicContact CZ-CB 3.88Å; F175-P183 HydrophobicContact CZ-CG 3.91Å
176	R	98.4	Very high	98.5	Very high	123 Å²	123	33.4 Å²	33.4	46%	0.464	19%	0.191	S	C	.	.	H	α-helix	trans	-60.2	-37.1	177.5	-70.1	175.8	69.9	176.8	3.7	112.4	I172 N173 A174 V178 G180 T181 I182	I172-R176 WeakPolarHBondContact O-CG 3.35Å; I172-R176 PolarHBondContact O-N 3.47Å; N173-R176 PolarHBondContact O-N 2.91Å; A174-R176 VanDerWaalsContact C-N 3.35Å; A174-R176 PolarHBondContact O-N 2.94Å; R176-V178 VanDerWaalsContact C-N 3.33Å; R176-G180 WeakPolarHBondContact O-CA 3.49Å; R176-G180 PolarHBondContact O-N 3.25Å; R176-T181 WeakPolarHBondContact CA-O 3.38Å; R176-T181 WeakPolarHBondContact CG-O 3.48Å; R176-I182 HydrophobicContact CG-CG2 4.45Å
177	N	98.2	Very high	98.5	Very high	107 Å²	107	30.9 Å²	30.9	57%	0.572	18%	0.176	S	C	*	.	H	α-helix	trans	-67.1	-34	176.5	-70.2	-20.8	0	0	0	112.5	L92 R99 N173 A174 F175	L92-N177 HydrophobicContact CD2-CB 4.05Å; R99-N177 PolarHBondContact NH1-O 2.71Å; R99-N177 PolarHBondContact NH2-O 3.28Å; N173-N177 WeakPolarHBondContact O-CB 3.19Å; N173-N177 PolarHBondContact O-N 2.9Å; N173-N177 PolarHBondContact O-ND2 3.47Å; A174-N177 WeakPolarHBondContact O-CB 3.42Å; A174-N177 PolarHBondContact O-N 3.07Å; F175-N177 VanDerWaalsContact C-N 3.28Å; F175-N177 PolarHBondContact O-N 3.33Å
178	V	98.5	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-78	-46.9	178.8	171.6	0	0	0	0	111.8	F56 M83 L91 L92 R99 F106 A174 F175 R176	F56-V178 HydrophobicContact CE2-CG1 4.2Å; M83-V178 HydrophobicContact CE-CB 4.18Å; M83-V178 HydrophobicContact CE-CG2 3.67Å; L91-V178 HydrophobicContact CB-CG1 4.28Å; L91-V178 HydrophobicContact CB-CG2 4.11Å; L91-V178 HydrophobicContact CD1-CG1 4.14Å; L92-V178 HydrophobicContact CD2-CG2 3.67Å; L92-V178 HydrophobicContact CG-CG2 3.82Å; R99-V178 PolarHBondContact NH1-O 2.84Å; F106-V178 HydrophobicContact CD2-CG1 3.84Å; F106-V178 HydrophobicContact CE2-CG1 3.66Å; F106-V178 WeakPolarHBondContact CE2-O 3.44Å; A174-V178 PolarHBondContact O-N 3.18Å; F175-V178 PolarHBondContact O-N 3.45Å; F175-V178 VanDerWaalsContact O-N 3.09Å; R176-V178 VanDerWaalsContact C-N 3.33Å
179	F	97.5	Very high	98.4	Very high	23 Å²	23	31.3 Å²	31.3	10%	0.101	18%	0.178	C	C	.	.	H	α-helix	trans	-102.6	-15.2	-170.8	-65.9	-72.7	0	0	0	115.4	F56 V81 F106 I109 P116 F175 T181	F56-F179 AromaticContact CE2-CE2 3.8Å; F56-F179 HydrophobicContact CE2-CE2 3.8Å; F56-F179 AromaticContact CE2-CZ 3.47Å; F56-F179 HydrophobicContact CE2-CZ 3.47Å; F56-F179 VanDerWaalsContact CE2-CZ 3.47Å; F56-F179 HydrophobicContact CZ-CE1 4.25Å; F56-F179 HydrophobicContact CZ-CE2 4.29Å; F56-F179 AromaticContact CZ-CZ 3.49Å; F56-F179 HydrophobicContact CZ-CZ 3.49Å; F56-F179 VanDerWaalsContact CZ-CZ 3.49Å; V81-F179 HydrophobicContact CG2-CE2 4.07Å; V81-F179 HydrophobicContact CG2-CZ 4.5Å; F106-F179 HydrophobicContact CD2-CD1 4.27Å; F106-F179 AromaticContact CD2-CE1 3.74Å; F106-F179 HydrophobicContact CD2-CE1 3.74Å; F106-F179 HydrophobicContact CD2-CZ 4.33Å; F106-F179 AromaticContact CE2-CD1 3.96Å; F106-F179 HydrophobicContact CE2-CD1 3.96Å; F106-F179 AromaticContact CE2-CE1 3.91Å; F106-F179 HydrophobicContact CE2-CE1 3.91Å; I109-F179 HydrophobicContact CD1-CE1 3.63Å; I109-F179 HydrophobicContact CD1-CZ 3.91Å; I109-F179 HydrophobicContact CG1-CE1 4.22Å; P116-F179 HydrophobicContact CG-CD2 4.43Å; P116-F179 HydrophobicContact CG-CE1 3.9Å; P116-F179 HydrophobicContact CG-CE2 3.79Å; P116-F179 HydrophobicContact CG-CZ 3.48Å; P116-F179 VanDerWaalsContact CG-CZ 3.48Å; F175-F179 HydrophobicContact CD1-CB 4.39Å; F175-F179 AromaticContact CD1-CD2 3.8Å; F175-F179 HydrophobicContact CD1-CD2 3.8Å; F175-F179 AromaticContact CD2-CD2 3.88Å; F175-F179 HydrophobicContact CD2-CD2 3.88Å; F175-F179 AromaticContact CD2-CE2 3.96Å; F175-F179 HydrophobicContact CD2-CE2 3.96Å; F175-F179 HydrophobicContact CE1-CB 4Å; F175-F179 AromaticContact CE1-CD2 3.57Å; F175-F179 HydrophobicContact CE1-CD2 3.57Å; F175-F179 HydrophobicContact CE1-CE2 4.4Å; F175-F179 HydrophobicContact CE1-CG 4.05Å; F175-F179 AromaticContact CE2-CD2 3.71Å; F175-F179 HydrophobicContact CE2-CD2 3.71Å; F175-F179 AromaticContact CE2-CE2 3.71Å; F175-F179 HydrophobicContact CE2-CE2 3.71Å; F175-F179 AromaticContact CG-CD2 3.93Å; F175-F179 HydrophobicContact CG-CD2 3.93Å; F175-F179 HydrophobicContact CG-CE2 4.43Å; F175-F179 AromaticContact CZ-CD2 3.53Å; F175-F179 HydrophobicContact CZ-CD2 3.53Å; F175-F179 AromaticContact CZ-CE2 3.92Å; F175-F179 HydrophobicContact CZ-CE2 3.92Å; F175-F179 HydrophobicContact CZ-CG 4.16Å; F175-F179 WeakPolarHBondContact O-CD2 3.47Å; F175-F179 PolarHBondContact O-N 3.49Å; F179-T181 HydrophobicContact CB-CG2 4.24Å; F179-T181 PolarHBondContact O-N 3.37Å
180	G	97.1	Very high	98.3	Very high	70 Å²	70	29.5 Å²	29.5	72%	0.722	17%	0.169	S	C	*	.	S	Bend	trans	73.4	6.3	-175.2	0	0	0	0	0	114.6	R176	R176-G180 WeakPolarHBondContact O-CA 3.49Å; R176-G180 PolarHBondContact O-N 3.25Å
181	T	97.5	Very high	98.3	Very high	56 Å²	56	28.6 Å²	28.6	34%	0.344	16%	0.162	S	C	.	.	S	Bend	trans	-144.5	175.3	-179.8	-171.5	0	0	0	0	110.9	I115 F175 R176 F179	I115-T181 HydrophobicContact CD1-CG2 3.63Å; I115-T181 HydrophobicContact CG1-CG2 4.08Å; I115-T181 HydrophobicContact CG2-CG2 3.9Å; F175-T181 WeakPolarHBondContact CD1-O 3.43Å; R176-T181 WeakPolarHBondContact CA-O 3.38Å; R176-T181 WeakPolarHBondContact CG-O 3.48Å; F179-T181 HydrophobicContact CB-CG2 4.24Å; F179-T181 PolarHBondContact O-N 3.37Å
182	I	98.1	Very high	98.3	Very high	48 Å²	48	28.7 Å²	28.7	25%	0.246	16%	0.162	C	C	.	.			trans	-81.2	158.2	171.2	63.7	173	0	0	0	111.3	I115 F175 R176 I209 I211	I115-I182 WeakPolarHBondContact CG2-O 3.29Å; F175-I182 VanDerWaalsContact CE1-C 3.47Å; R176-I182 HydrophobicContact CG-CG2 4.45Å; I182-I209 WeakPolarHBondContact CD1-O 3.27Å; I182-I211 HydrophobicContact CD1-CG1 4.35Å
183	P	98.6	Very high	98.3	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	16%	0.161	C	C	.	.			trans	-57.6	149.7	173.4	-21.7	30.3	0	0	0	113.7	L118 F175 H185 I211	L118-P183 HydrophobicContact CB-CB 4Å; L118-P183 HydrophobicContact CB-CG 3.64Å; L118-P183 HydrophobicContact CD2-CG 4.44Å; F175-P183 HydrophobicContact CD1-CG 3.73Å; F175-P183 HydrophobicContact CD2-CB 4.49Å; F175-P183 HydrophobicContact CD2-CG 3.86Å; F175-P183 HydrophobicContact CE1-CB 4.15Å; F175-P183 HydrophobicContact CE1-CG 3.83Å; F175-P183 VanDerWaalsContact CE1-N 3.29Å; F175-P183 HydrophobicContact CE2-CB 4.04Å; F175-P183 HydrophobicContact CE2-CG 3.9Å; F175-P183 HydrophobicContact CG-CG 3.77Å; F175-P183 VanDerWaalsContact CZ-CA 3.48Å; F175-P183 HydrophobicContact CZ-CB 3.88Å; F175-P183 HydrophobicContact CZ-CG 3.91Å; P183-H185 WeakPolarHBondContact CB-O 3.38Å; P183-I211 HydrophobicContact CB-CD1 4.03Å; P183-I211 HydrophobicContact CG-CD1 3.83Å
184	S	98.3	Very high	98.3	Very high	19 Å²	19	24.9 Å²	24.9	13%	0.133	14%	0.142	C	C	.	.	S	Bend	trans	-73.3	-35.2	175.1	59.3	0	0	0	0	112.4	I115 P116	I115-S184 WeakPolarHBondContact O-CB 3.29Å; I115-S184 PolarHBondContact O-OG 3.2Å; P116-S184 PolarHBondContact O-N 2.85Å; P116-S184 VanDerWaalsContact O-N 3.07Å; P116-S184 PolarHBondContact O-OG 3.34Å
185	H	98.8	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	176.2	178.6	63.8	-79.5	0	0	0	110.8	N51 D78 G117 L118 P183 D187 W213 F353	N51-H185 PolarHBondContact OD1-NE2 3.15Å; N51-H185 VanDerWaalsContact OD1-NE2 3.15Å; D78-H185 IonicContact OD1-CE1 3.55Å; D78-H185 IonicContact OD2-CE1 3.16Å; D78-H185 IonicContact OD2-ND1 3.54Å; G117-H185 WeakPolarHBondContact CA-CE1 3.46Å; G117-H185 WeakPolarHBondContact CA-ND1 3.33Å; G117-H185 WeakPolarHBondContact CA-O 2.96Å; G117-H185 PolarHBondContact N-CE1 3.15Å; G117-H185 PolarHBondContact N-ND1 3.1Å; L118-H185 PolarHBondContact N-O 3.02Å; L118-H185 VanDerWaalsContact N-O 3.1Å; P183-H185 WeakPolarHBondContact CB-O 3.38Å; H185-D187 IonicContact NE2-OD2 3.46Å; H185-W213 CarbonylContact C-O 3.6Å; H185-W213 VanDerWaalsContact CA-O 3.31Å; H185-W213 WeakPolarHBondContact CA-O 3.34Å; H185-W213 HydrophobicContact CB-CB 3.74Å; H185-F353 HydrophobicContact CB-CB 3.84Å; H185-F353 HydrophobicContact CB-CD1 3.91Å; H185-F353 HydrophobicContact CB-CD2 3.71Å; H185-F353 HydrophobicContact CB-CE1 4.35Å; H185-F353 HydrophobicContact CB-CE2 4.16Å; H185-F353 HydrophobicContact CB-CG 3.55Å; H185-F353 HydrophobicContact CB-CZ 4.45Å; H185-F353 AromaticContact CD2-CD2 3.49Å; H185-F353 VanDerWaalsContact CD2-CD2 3.49Å; H185-F353 WeakPolarHBondContact CD2-CD2 3.28Å; H185-F353 AromaticContact CD2-CE2 3.42Å; H185-F353 VanDerWaalsContact CD2-CE2 3.42Å; H185-F353 WeakPolarHBondContact CD2-CE2 3.48Å; H185-F353 AromaticContact CE1-CD2 3.57Å; H185-F353 AromaticContact CG-CD2 3.24Å; H185-F353 AromaticContact CG-CE2 3.65Å; H185-F353 AromaticContact CG-CG 3.63Å; H185-F353 AromaticContact ND1-CD2 3.31Å; H185-F353 VanDerWaalsContact ND1-CD2 3.31Å; H185-F353 WeakPolarHBondContact ND1-CD2 3.44Å; H185-F353 AromaticContact ND1-CG 3.81Å; H185-F353 AromaticContact NE2-CD2 3.73Å; H185-F353 AromaticContact NE2-CE2 3.75Å
186	F	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.9	-177	-165.9	-84	0	0	0	111.1	L118 F120 L168 H193 V202 I206 I211 W213 I214 R215	L118-F186 HydrophobicContact CB-CD2 4.16Å; L118-F186 HydrophobicContact CB-CE2 4.46Å; L118-F186 HydrophobicContact CD2-CD2 4.16Å; L118-F186 HydrophobicContact CD2-CE2 3.74Å; L118-F186 HydrophobicContact CG-CD2 4.36Å; L118-F186 HydrophobicContact CG-CE2 4.15Å; F120-F186 HydrophobicContact CB-CE1 3.68Å; F120-F186 HydrophobicContact CB-CE2 4.01Å; F120-F186 HydrophobicContact CB-CZ 3.28Å; F120-F186 HydrophobicContact CD1-CE1 4.22Å; F120-F186 AromaticContact CD1-CZ 3.93Å; F120-F186 HydrophobicContact CD1-CZ 3.93Å; F120-F186 HydrophobicContact CD2-CZ 4.36Å; F120-F186 HydrophobicContact CG-CE1 4.21Å; F120-F186 AromaticContact CG-CZ 3.63Å; F120-F186 HydrophobicContact CG-CZ 3.63Å; L168-F186 HydrophobicContact CD1-CE2 3.63Å; L168-F186 HydrophobicContact CD1-CZ 3.6Å; F186-H193 HydrophobicContact CE1-CB 3.96Å; F186-V202 HydrophobicContact CD1-CG1 3.81Å; F186-V202 HydrophobicContact CE1-CB 4.38Å; F186-V202 HydrophobicContact CE1-CG1 3.36Å; F186-V202 HydrophobicContact CE1-CG2 4.04Å; F186-V202 HydrophobicContact CZ-CG1 3.86Å; F186-V202 HydrophobicContact CZ-CG2 4.15Å; F186-I206 HydrophobicContact CB-CD1 3.89Å; F186-I206 HydrophobicContact CD1-CD1 4.31Å; F186-I206 HydrophobicContact CD2-CD1 4.49Å; F186-I206 HydrophobicContact CD2-CG2 3.69Å; F186-I206 HydrophobicContact CE2-CG2 3.7Å; F186-I206 HydrophobicContact CG-CD1 4Å; F186-I206 HydrophobicContact CG-CG2 4.2Å; F186-I206 HydrophobicContact CZ-CG2 4.24Å; F186-I211 HydrophobicContact CB-CG2 4.27Å; F186-I211 HydrophobicContact CD2-CD1 4.36Å; F186-W213 PolarHBondContact N-O 3.36Å; F186-I214 HydrophobicContact CB-CG1 4.41Å; F186-I214 HydrophobicContact CD1-CD1 4.01Å; F186-I214 HydrophobicContact CD1-CG1 4.24Å; F186-I214 CarbonylContact O-C 3.43Å; F186-I214 VanDerWaalsContact O-CA 3.25Å; F186-I214 WeakPolarHBondContact O-CA 3.26Å; F186-R215 PolarHBondContact O-N 2.94Å
187	D	98.9	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	-179.1	168	55.1	38.8	0	0	0	108.7	N51 S80 L118 H119 F120 H185 R215	N51-D187 PolarHBondContact ND2-OD2 3.26Å; N51-D187 VanDerWaalsContact ND2-OD2 3.1Å; S80-D187 VanDerWaalsContact CB-OD1 3.31Å; S80-D187 WeakPolarHBondContact CB-OD1 3.23Å; S80-D187 WeakPolarHBondContact CB-OD2 3.21Å; S80-D187 PolarHBondContact OG-OD1 2.86Å; S80-D187 PolarHBondContact OG-OD2 3.29Å; S80-D187 VanDerWaalsContact OG-OD2 3.08Å; L118-D187 PolarHBondContact O-N 3.49Å; L118-D187 VanDerWaalsContact O-N 3.1Å; L118-D187 VanDerWaalsContact O-O 3.06Å; H119-D187 VanDerWaalsContact CA-OD1 3.22Å; H119-D187 WeakPolarHBondContact CA-OD1 3.37Å; H119-D187 IonicContact CE1-OD1 2.9Å; H119-D187 IonicContact CG-OD1 3.76Å; H119-D187 IonicContact ND1-OD1 3.8Å; H119-D187 PolarHBondContact ND1-OD1 3.05Å; F120-D187 WeakPolarHBondContact CB-O 3.2Å; F120-D187 PolarHBondContact N-O 3.1Å; H185-D187 IonicContact NE2-OD2 3.46Å; D187-R215 HydrophobicContact CB-CB 3.65Å; D187-R215 HydrophobicContact CB-CG 4.44Å; D187-R215 IonicContact OD2-CZ 2.76Å; D187-R215 IonicContact OD2-NH2 3.66Å; D187-R215 PolarHBondContact OD2-NH2 3.17Å
188	G	98.7	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.3	-174.9	0	0	0	0	0	111.7	F120 Q190 H191 H193	F120-G188 CarbonylContact O-C 3.59Å; F120-G188 WeakPolarHBondContact O-CA 3.33Å; G188-Q190 PolarHBondContact O-N 3.38Å; G188-H191 WeakPolarHBondContact O-CA 3.22Å; G188-H191 PolarHBondContact O-N 3.19Å; G188-H193 WeakPolarHBondContact CA-ND1 3.31Å; G188-H193 PolarHBondContact N-ND1 3.28Å; G188-H193 VanDerWaalsContact N-ND1 3.19Å
189	H	98.3	Very high	98.2	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.037	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.5	126.8	171	-173.2	66.7	0	0	0	109.6	D54 L82 H119 F120 N121 E124 H191 V192	D54-H189 IonicContact OD1-CE1 2.88Å; D54-H189 PolarHBondContact OD1-CE1 2.89Å; D54-H189 IonicContact OD1-ND1 3.68Å; D54-H189 PolarHBondContact OD1-ND1 3.2Å; L82-H189 HydrophobicContact CD2-CB 4.04Å; H119-H189 AromaticContact CD2-ND1 3.74Å; H119-H189 VanDerWaalsContact CE1-CA 3.47Å; H119-H189 WeakPolarHBondContact CE1-CA 3.33Å; H119-H189 PolarHBondContact CE1-N 3.01Å; H119-H189 VanDerWaalsContact NE2-CA 3.26Å; H119-H189 WeakPolarHBondContact NE2-CA 3.39Å; H119-H189 AromaticContact NE2-CG 3.87Å; H119-H189 AromaticContact NE2-ND1 3.39Å; H119-H189 PolarHBondContact NE2-ND1 3.48Å; F120-H189 PolarHBondContact O-N 3.13Å; N121-H189 HydrophobicContact CB-CB 4.14Å; E124-H189 IonicContact OE2-CE1 3.69Å; E124-H189 IonicContact OE2-NE2 3.46Å; E124-H189 PolarHBondContact OE2-NE2 3.31Å; H189-H191 PolarHBondContact O-N 3.2Å; H189-H191 VanDerWaalsContact O-N 3.12Å; H189-V192 WeakPolarHBondContact O-CG1 3.31Å; H189-V192 WeakPolarHBondContact O-CG2 3.42Å; H189-V192 PolarHBondContact O-N 2.85Å
190	Q	96.9	Very high	98.3	Very high	41 Å²	41	20.3 Å²	20.3	19%	0.192	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	55.4	27.3	-174.1	-56.5	166.3	-7.6	0	0	113.8	T123 K147 G188 V192	T123-Q190 PolarHBondContact OG1-OE1 3.06Å; K147-Q190 VanDerWaalsContact CA-OE1 3.31Å; K147-Q190 HydrophobicContact CD-CB 4.45Å; K147-Q190 HydrophobicContact CD-CG 4.28Å; K147-Q190 HydrophobicContact CG-CB 4.31Å; K147-Q190 HydrophobicContact CG-CG 4.4Å; G188-Q190 PolarHBondContact O-N 3.38Å; Q190-V192 VanDerWaalsContact C-N 3.27Å; Q190-V192 PolarHBondContact O-N 3.08Å
191	H	98.4	Very high	98.4	Very high	13 Å²	13	17.7 Å²	17.7	6%	0.06	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	59.7	30.9	178.6	-42.8	-71.4	0	0	0	114	G188 H189 H193 V194 P217 V239	G188-H191 WeakPolarHBondContact O-CA 3.22Å; G188-H191 PolarHBondContact O-N 3.19Å; H189-H191 PolarHBondContact O-N 3.2Å; H189-H191 VanDerWaalsContact O-N 3.12Å; H191-H193 PolarHBondContact O-N 2.64Å; H191-V194 HydrophobicContact CB-CG2 4.16Å; H191-V194 VanDerWaalsContact O-CG2 3.3Å; H191-V194 WeakPolarHBondContact O-CG2 3.44Å; H191-V194 PolarHBondContact O-N 3.26Å; H191-P217 HydrophobicContact CB-CG 4.48Å; H191-V239 HydrophobicContact CB-CG1 3.75Å; H191-V239 HydrophobicContact CB-CG2 4.37Å
192	V	98.7	Very high	98.4	Very high	2 Å²	2	15 Å²	15	1%	0.012	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.9	-25.3	-179.6	-67.7	0	0	0	0	113.2	F120 L122 T123 F150 H189 Q190 V194 L195 I198	F120-V192 HydrophobicContact CD1-CG2 3.98Å; F120-V192 HydrophobicContact CE1-CG2 4.39Å; F120-V192 WeakPolarHBondContact O-CG2 3.33Å; L122-V192 HydrophobicContact CB-CG1 4.47Å; L122-V192 HydrophobicContact CB-CG2 4.42Å; L122-V192 HydrophobicContact CG-CG2 4.48Å; T123-V192 HydrophobicContact CG2-CG1 3.58Å; F150-V192 HydrophobicContact CD1-CG1 4.5Å; H189-V192 WeakPolarHBondContact O-CG1 3.31Å; H189-V192 WeakPolarHBondContact O-CG2 3.42Å; H189-V192 PolarHBondContact O-N 2.85Å; Q190-V192 VanDerWaalsContact C-N 3.27Å; Q190-V192 PolarHBondContact O-N 3.08Å; V192-V194 VanDerWaalsContact C-N 3.26Å; V192-V194 PolarHBondContact O-N 3.1Å; V192-L195 HydrophobicContact CB-CD1 4.18Å; V192-L195 HydrophobicContact CG1-CD1 4.2Å; V192-L195 VanDerWaalsContact O-CB 3.3Å; V192-L195 WeakPolarHBondContact O-CB 3.45Å; V192-L195 WeakPolarHBondContact O-CG 3.33Å; V192-L195 PolarHBondContact O-N 3.33Å; V192-I198 VanDerWaalsContact O-CG2 3.28Å; V192-I198 WeakPolarHBondContact O-CG2 3.28Å
193	H	98.8	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-70.8	-16.3	-176.3	67.8	-59.6	0	0	0	114.4	F186 G188 H191 D199 V202 R215	F186-H193 HydrophobicContact CE1-CB 3.96Å; G188-H193 WeakPolarHBondContact CA-ND1 3.31Å; G188-H193 PolarHBondContact N-ND1 3.28Å; G188-H193 VanDerWaalsContact N-ND1 3.19Å; H191-H193 PolarHBondContact O-N 2.64Å; H193-D199 WeakPolarHBondContact O-CA 3.41Å; H193-V202 HydrophobicContact CB-CG2 4.35Å; H193-R215 PolarHBondContact NE2-O 3.43Å
194	V	98.7	Very high	98.5	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-100.7	4.6	174.7	-61.6	0	0	0	0	113.5	H191 V192 P217 V239 Q242 A243 A246 F250	H191-V194 HydrophobicContact CB-CG2 4.16Å; H191-V194 VanDerWaalsContact O-CG2 3.3Å; H191-V194 WeakPolarHBondContact O-CG2 3.44Å; H191-V194 PolarHBondContact O-N 3.26Å; V192-V194 VanDerWaalsContact C-N 3.26Å; V192-V194 PolarHBondContact O-N 3.1Å; V194-P217 HydrophobicContact CG1-CG 4.13Å; V194-P217 HydrophobicContact CG2-CG 4.17Å; V194-V239 HydrophobicContact CG2-CG1 4.48Å; V194-Q242 HydrophobicContact CG2-CB 4.16Å; V194-A243 HydrophobicContact CG1-CB 4.3Å; V194-A246 HydrophobicContact CB-CB 3.8Å; V194-A246 HydrophobicContact CG1-CB 3.86Å; V194-F250 HydrophobicContact CG1-CE2 4.17Å; V194-F250 HydrophobicContact CG1-CZ 4.23Å
195	L	98.5	Very high	98.5	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	9%	0.085	C	C	.	.	S	Bend	trans	-68.4	142	177.3	-74.2	175.2	0	0	0	111	F150 R151 L154 V192 G197 I198 D199	F150-L195 HydrophobicContact CD1-CD1 3.81Å; F150-L195 HydrophobicContact CE1-CD1 3.52Å; R151-L195 HydrophobicContact CG-CD1 4.29Å; R151-L195 HydrophobicContact CG-CD2 4.41Å; R151-L195 VanDerWaalsContact CZ-CD2 3.42Å; L154-L195 HydrophobicContact CD2-CB 3.8Å; L154-L195 HydrophobicContact CD2-CD1 4.03Å; L154-L195 HydrophobicContact CD2-CD2 4.31Å; L154-L195 HydrophobicContact CD2-CG 4.29Å; V192-L195 HydrophobicContact CB-CD1 4.18Å; V192-L195 HydrophobicContact CG1-CD1 4.2Å; V192-L195 VanDerWaalsContact O-CB 3.3Å; V192-L195 WeakPolarHBondContact O-CB 3.45Å; V192-L195 WeakPolarHBondContact O-CG 3.33Å; V192-L195 PolarHBondContact O-N 3.33Å; L195-G197 PolarHBondContact O-N 2.98Å; L195-I198 HydrophobicContact CB-CB 4.07Å; L195-I198 HydrophobicContact CB-CG1 3.74Å; L195-I198 WeakPolarHBondContact O-CB 3.21Å; L195-I198 PolarHBondContact O-N 2.85Å; L195-D199 PolarHBondContact O-N 2.92Å
196	P	97.3	Very high	98.5	Very high	66 Å²	66	13.5 Å²	13.5	43%	0.429	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	127	178.8	-26.9	34.8	0	0	0	112.5	I198	P196-I198 PolarHBondContact O-N 2.9Å
197	G	97.4	Very high	98.5	Very high	26 Å²	26	15.3 Å²	15.3	27%	0.268	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-37.9	-177.4	0	0	0	0	0	113	L195 D199 V201	L195-G197 PolarHBondContact O-N 2.98Å; G197-D199 WeakPolarHBondContact CA-OD1 3.5Å; G197-D199 PolarHBondContact N-OD1 3.39Å; G197-V201 PolarHBondContact O-N 3.31Å
198	I	98.7	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-41	174.5	-49.2	-60.1	0	0	0	110.2	F120 L122 F150 L154 M161 V164 V192 L195 P196 V200 V201 V202	F120-I198 HydrophobicContact CE1-CG2 4.07Å; L122-I198 HydrophobicContact CD1-CD1 4.33Å; L122-I198 HydrophobicContact CD1-CG2 4.19Å; F150-I198 HydrophobicContact CE1-CD1 4.45Å; F150-I198 HydrophobicContact CE1-CG1 4.41Å; F150-I198 HydrophobicContact CZ-CD1 3.91Å; F150-I198 HydrophobicContact CZ-CG1 4.34Å; L154-I198 HydrophobicContact CD2-CG1 4.41Å; M161-I198 HydrophobicContact CE-CD1 3.87Å; M161-I198 HydrophobicContact SD-CD1 3.85Å; V164-I198 HydrophobicContact CB-CD1 4.33Å; V164-I198 HydrophobicContact CG1-CD1 3.87Å; V164-I198 HydrophobicContact CG1-CG2 4.17Å; V164-I198 HydrophobicContact CG2-CD1 3.61Å; V192-I198 VanDerWaalsContact O-CG2 3.28Å; V192-I198 WeakPolarHBondContact O-CG2 3.28Å; L195-I198 HydrophobicContact CB-CB 4.07Å; L195-I198 HydrophobicContact CB-CG1 3.74Å; L195-I198 WeakPolarHBondContact O-CB 3.21Å; L195-I198 PolarHBondContact O-N 2.85Å; P196-I198 PolarHBondContact O-N 2.9Å; I198-V200 VanDerWaalsContact C-N 3.29Å; I198-V200 PolarHBondContact O-N 2.87Å; I198-V201 PolarHBondContact O-N 3.44Å; I198-V202 HydrophobicContact CG2-CG2 4.09Å; I198-V202 WeakPolarHBondContact O-CB 3.2Å; I198-V202 WeakPolarHBondContact O-CG2 3.3Å; I198-V202 PolarHBondContact O-N 2.68Å
199	D	98.7	Very high	98.3	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.059	13%	0.133	C	C	.	.	H	α-helix	trans	-52.2	-43.1	174.2	56.9	-8.9	0	0	0	113.2	H193 L195 G197 A203 A246 F250	H193-D199 WeakPolarHBondContact O-CA 3.41Å; L195-D199 PolarHBondContact O-N 2.92Å; G197-D199 WeakPolarHBondContact CA-OD1 3.5Å; G197-D199 PolarHBondContact N-OD1 3.39Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 3.09Å; D199-A246 HydrophobicContact CB-CB 3.82Å; D199-F250 HydrophobicContact CB-CE1 3.97Å; D199-F250 HydrophobicContact CB-CZ 4.34Å
200	V	98.7	Very high	98.3	Very high	60 Å²	60	25.3 Å²	25.3	36%	0.364	15%	0.151	S	C	.	.	H	α-helix	trans	-67.2	-46	177.3	-178.8	0	0	0	0	111.6	I198 A203 S204 I249	I198-V200 VanDerWaalsContact C-N 3.29Å; I198-V200 PolarHBondContact O-N 2.87Å; V200-A203 PolarHBondContact O-N 3.33Å; V200-S204 WeakPolarHBondContact O-CB 3.3Å; V200-S204 PolarHBondContact O-N 3.3Å; V200-I249 HydrophobicContact CG2-CD1 4.34Å; V200-I249 HydrophobicContact CG2-CG1 4.41Å; V200-I249 HydrophobicContact CG2-CG2 4.02Å
201	V	98.8	Very high	98.3	Very high	16 Å²	16	23.6 Å²	23.6	10%	0.097	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-49.3	178.3	174.4	0	0	0	0	110.1	M161 V164 E165 L168 G197 I198 A203 S204 V205	M161-V201 HydrophobicContact CB-CG2 3.93Å; M161-V201 HydrophobicContact CG-CG2 4.44Å; M161-V201 HydrophobicContact SD-CG2 4.17Å; V164-V201 HydrophobicContact CB-CG1 4.45Å; V164-V201 HydrophobicContact CG1-CB 4.3Å; V164-V201 HydrophobicContact CG1-CG1 3.97Å; E165-V201 HydrophobicContact CB-CG1 3.77Å; E165-V201 HydrophobicContact CG-CG1 4.47Å; L168-V201 HydrophobicContact CD2-CG1 4.37Å; G197-V201 PolarHBondContact O-N 3.31Å; I198-V201 PolarHBondContact O-N 3.44Å; V201-A203 PolarHBondContact O-N 3.33Å; V201-S204 PolarHBondContact O-N 3.12Å; V201-V205 HydrophobicContact CG1-CG2 4.41Å; V201-V205 VanDerWaalsContact O-CG2 3.29Å; V201-V205 WeakPolarHBondContact O-CG2 3.13Å; V201-V205 PolarHBondContact O-N 3.42Å
202	V	98.9	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-53.7	177.2	167.3	0	0	0	0	110.2	F120 L168 F186 H193 I198 S204 V205 I206 I214	F120-V202 HydrophobicContact CD1-CG2 4.09Å; F120-V202 HydrophobicContact CE1-CG2 3.96Å; L168-V202 HydrophobicContact CD2-CB 4.47Å; L168-V202 HydrophobicContact CD2-CG2 4.06Å; F186-V202 HydrophobicContact CD1-CG1 3.81Å; F186-V202 HydrophobicContact CE1-CB 4.38Å; F186-V202 HydrophobicContact CE1-CG1 3.36Å; F186-V202 HydrophobicContact CE1-CG2 4.04Å; F186-V202 HydrophobicContact CZ-CG1 3.86Å; F186-V202 HydrophobicContact CZ-CG2 4.15Å; H193-V202 HydrophobicContact CB-CG2 4.35Å; I198-V202 HydrophobicContact CG2-CG2 4.09Å; I198-V202 WeakPolarHBondContact O-CB 3.2Å; I198-V202 WeakPolarHBondContact O-CG2 3.3Å; I198-V202 PolarHBondContact O-N 2.68Å; V202-S204 VanDerWaalsContact C-N 3.32Å; V202-S204 PolarHBondContact O-N 2.91Å; V202-V205 PolarHBondContact O-N 3.13Å; V202-I206 HydrophobicContact CG1-CD1 4.03Å; V202-I206 HydrophobicContact CG1-CG2 4.27Å; V202-I206 WeakPolarHBondContact O-CG1 3.22Å; V202-I206 WeakPolarHBondContact O-CG2 3.38Å; V202-I206 PolarHBondContact O-N 3.26Å; V202-I214 HydrophobicContact CG1-CD1 3.61Å
203	A	98.9	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-43.5	-176.5	0	0	0	0	0	112.5	D199 V200 V201 S207 I249 F250 Y253 L255	D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 3.09Å; V200-A203 PolarHBondContact O-N 3.33Å; V201-A203 PolarHBondContact O-N 3.33Å; A203-S207 WeakPolarHBondContact O-CB 3.3Å; A203-S207 PolarHBondContact O-N 3.07Å; A203-S207 PolarHBondContact O-OG 3.32Å; A203-I249 HydrophobicContact CB-CG2 4.05Å; A203-F250 HydrophobicContact CB-CD1 3.9Å; A203-F250 HydrophobicContact CB-CE1 4.33Å; A203-Y253 HydrophobicContact CB-CD2 3.5Å; A203-Y253 VanDerWaalsContact CB-CD2 3.5Å; A203-Y253 HydrophobicContact CB-CE2 3.98Å; A203-Y253 HydrophobicContact CB-CG 3.81Å; A203-L255 HydrophobicContact CB-CD1 3.99Å
204	S	98.7	Very high	98.3	Very high	36 Å²	36	29 Å²	29	25%	0.252	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-46.5	177.9	178.1	0	0	0	0	112.6	V200 V201 V202 S207 R208 Y253	V200-S204 WeakPolarHBondContact O-CB 3.3Å; V200-S204 PolarHBondContact O-N 3.3Å; V201-S204 PolarHBondContact O-N 3.12Å; V202-S204 VanDerWaalsContact C-N 3.32Å; V202-S204 PolarHBondContact O-N 2.91Å; S204-S207 PolarHBondContact O-OG 3.07Å; S204-R208 VanDerWaalsContact O-CB 3.28Å; S204-R208 WeakPolarHBondContact O-CB 3.4Å; S204-R208 PolarHBondContact O-N 3.32Å; S204-R208 PolarHBondContact O-NH1 3.22Å; S204-Y253 VanDerWaalsContact CA-CE1 3.5Å
205	V	98.8	Very high	98.3	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-71.5	-49.3	-176.9	175.6	0	0	0	0	111.2	E165 L168 E169 I172 V201 V202 S207 R208 I209	E165-V205 HydrophobicContact CG-CG2 3.82Å; L168-V205 HydrophobicContact CD2-CB 3.71Å; L168-V205 HydrophobicContact CD2-CG1 3.95Å; L168-V205 HydrophobicContact CD2-CG2 3.95Å; L168-V205 HydrophobicContact CG-CB 4.41Å; L168-V205 HydrophobicContact CG-CG1 4.1Å; E169-V205 HydrophobicContact CG-CG1 4.28Å; I172-V205 HydrophobicContact CD1-CG1 3.58Å; V201-V205 HydrophobicContact CG1-CG2 4.41Å; V201-V205 VanDerWaalsContact O-CG2 3.29Å; V201-V205 WeakPolarHBondContact O-CG2 3.13Å; V201-V205 PolarHBondContact O-N 3.42Å; V202-V205 PolarHBondContact O-N 3.13Å; V205-S207 PolarHBondContact O-N 3.36Å; V205-R208 WeakPolarHBondContact O-CB 3.36Å; V205-R208 PolarHBondContact O-N 2.8Å; V205-I209 PolarHBondContact O-N 2.99Å
206	I	98.5	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.4	-33.8	-171.5	77	174.6	0	0	0	112.2	I172 F186 V202 I209 G210 I211 I214 L255	I172-I206 HydrophobicContact CD1-CG2 4.5Å; F186-I206 HydrophobicContact CB-CD1 3.89Å; F186-I206 HydrophobicContact CD1-CD1 4.31Å; F186-I206 HydrophobicContact CD2-CD1 4.49Å; F186-I206 HydrophobicContact CD2-CG2 3.69Å; F186-I206 HydrophobicContact CE2-CG2 3.7Å; F186-I206 HydrophobicContact CG-CD1 4Å; F186-I206 HydrophobicContact CG-CG2 4.2Å; F186-I206 HydrophobicContact CZ-CG2 4.24Å; V202-I206 HydrophobicContact CG1-CD1 4.03Å; V202-I206 HydrophobicContact CG1-CG2 4.27Å; V202-I206 WeakPolarHBondContact O-CG1 3.22Å; V202-I206 WeakPolarHBondContact O-CG2 3.38Å; V202-I206 PolarHBondContact O-N 3.26Å; I206-I209 VanDerWaalsContact O-CG1 3.23Å; I206-I209 WeakPolarHBondContact O-CG1 3.31Å; I206-I209 PolarHBondContact O-N 3.06Å; I206-G210 PolarHBondContact O-N 3.39Å; I206-I211 HydrophobicContact CB-CB 4.05Å; I206-I211 HydrophobicContact CB-CD1 4.07Å; I206-I211 HydrophobicContact CB-CG1 4.49Å; I206-I211 HydrophobicContact CD1-CG2 4.47Å; I206-I211 HydrophobicContact CG2-CD1 4.21Å; I206-I211 PolarHBondContact O-N 3.16Å; I206-I214 HydrophobicContact CD1-CB 4.17Å; I206-I214 HydrophobicContact CD1-CD1 3.72Å; I206-I214 HydrophobicContact CD1-CG1 4.36Å; I206-L255 HydrophobicContact CD1-CD1 3.88Å; I206-L255 HydrophobicContact CD1-CD2 4.17Å; I206-L255 HydrophobicContact CG1-CD1 3.96Å; I206-L255 HydrophobicContact CG1-CD2 3.95Å
207	S	98.2	Very high	98.3	Very high	38 Å²	38	26.1 Å²	26.1	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-66.5	-40.7	174	61.9	0	0	0	0	111.5	A203 S204 V205 I209 G210 Y253	A203-S207 WeakPolarHBondContact O-CB 3.3Å; A203-S207 PolarHBondContact O-N 3.07Å; A203-S207 PolarHBondContact O-OG 3.32Å; S204-S207 PolarHBondContact O-OG 3.07Å; V205-S207 PolarHBondContact O-N 3.36Å; S207-I209 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact O-N 3.34Å; S207-G210 PolarHBondContact O-N 3.1Å; S207-G210 VanDerWaalsContact O-N 3.12Å; S207-Y253 WeakPolarHBondContact OG-CD1 3.39Å
208	R	98	Very high	98.3	Very high	130 Å²	130	27.4 Å²	27.4	49%	0.491	15%	0.147	S	C	.	.	H	α-helix	trans	-59.5	-35.8	177.5	176.7	173	68.2	-122.4	19.1	113	E165 E169 S204 V205	E165-R208 IonicContact OE1-CZ 2.97Å; E165-R208 IonicContact OE1-NH1 3.96Å; E165-R208 IonicContact OE1-NH2 3.83Å; E165-R208 PolarHBondContact OE1-NH2 3.03Å; E169-R208 IonicContact OE1-NH2 3.97Å; E169-R208 PolarHBondContact OE1-NH2 3.42Å; S204-R208 VanDerWaalsContact O-CB 3.28Å; S204-R208 WeakPolarHBondContact O-CB 3.4Å; S204-R208 PolarHBondContact O-N 3.32Å; S204-R208 PolarHBondContact O-NH1 3.22Å; V205-R208 WeakPolarHBondContact O-CB 3.36Å; V205-R208 PolarHBondContact O-N 2.8Å
209	I	96.9	Very high	98.2	Very high	49 Å²	49	28 Å²	28	25%	0.251	15%	0.15	S	C	.	.	H	α-helix	trans	-90.7	-4.7	179.2	65.9	170.9	0	0	0	113.6	I172 I182 V205 I206 S207 I211	I172-I209 HydrophobicContact CD1-CD1 3.83Å; I172-I209 HydrophobicContact CG1-CD1 4.25Å; I172-I209 HydrophobicContact CG2-CD1 3.63Å; I182-I209 WeakPolarHBondContact CD1-O 3.27Å; V205-I209 PolarHBondContact O-N 2.99Å; I206-I209 VanDerWaalsContact O-CG1 3.23Å; I206-I209 WeakPolarHBondContact O-CG1 3.31Å; I206-I209 PolarHBondContact O-N 3.06Å; S207-I209 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact O-N 3.34Å; I209-I211 HydrophobicContact CD1-CD1 3.65Å; I209-I211 HydrophobicContact CD1-CG1 3.89Å; I209-I211 HydrophobicContact CG1-CD1 4.29Å; I209-I211 HydrophobicContact CG1-CG1 4.05Å
210	G	97.1	Very high	97.8	Very high	40 Å²	40	35.6 Å²	35.6	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	14.8	174.9	0	0	0	0	0	115.9	I206 S207 K212	I206-G210 PolarHBondContact O-N 3.39Å; S207-G210 PolarHBondContact O-N 3.1Å; S207-G210 VanDerWaalsContact O-N 3.12Å; G210-K212 PolarHBondContact O-N 3.39Å
211	I	97.9	Very high	97.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.164	C	C	.	.			trans	-69.2	129.8	165.5	-59.9	174.9	0	0	0	107.4	I182 P183 F186 I206 I209 L255	I182-I211 HydrophobicContact CD1-CG1 4.35Å; P183-I211 HydrophobicContact CB-CD1 4.03Å; P183-I211 HydrophobicContact CG-CD1 3.83Å; F186-I211 HydrophobicContact CB-CG2 4.27Å; F186-I211 HydrophobicContact CD2-CD1 4.36Å; I206-I211 HydrophobicContact CB-CB 4.05Å; I206-I211 HydrophobicContact CB-CD1 4.07Å; I206-I211 HydrophobicContact CB-CG1 4.49Å; I206-I211 HydrophobicContact CD1-CG2 4.47Å; I206-I211 HydrophobicContact CG2-CD1 4.21Å; I206-I211 PolarHBondContact O-N 3.16Å; I209-I211 HydrophobicContact CD1-CD1 3.65Å; I209-I211 HydrophobicContact CD1-CG1 3.89Å; I209-I211 HydrophobicContact CG1-CD1 4.29Å; I209-I211 HydrophobicContact CG1-CG1 4.05Å; I211-L255 WeakPolarHBondContact O-CD2 3.4Å
212	K	97.3	Very high	96.6	Very high	117 Å²	117	33.7 Å²	33.7	51%	0.509	17%	0.167	S	C	.	.			trans	-101.7	-32.8	-174.2	-63.9	-179.8	-176.4	172.6	0	113.4	G210 K256	G210-K212 PolarHBondContact O-N 3.39Å; K212-K256 WeakPolarHBondContact O-CA 3.31Å; K212-K256 WeakPolarHBondContact O-CB 3.25Å; K212-K256 PolarHBondContact O-N 3.33Å
213	W	98.6	Very high	95.8	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.045	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.3	-172	-69.7	97.3	0	0	0	111.3	H185 F186 K256 F353 L356 S357	H185-W213 CarbonylContact C-O 3.6Å; H185-W213 VanDerWaalsContact CA-O 3.31Å; H185-W213 WeakPolarHBondContact CA-O 3.34Å; H185-W213 HydrophobicContact CB-CB 3.74Å; F186-W213 PolarHBondContact N-O 3.36Å; W213-K256 CarbonylContact C-O 3.51Å; W213-K256 WeakPolarHBondContact CA-O 3.41Å; W213-K256 HydrophobicContact CD2-CB 3.73Å; W213-K256 HydrophobicContact CD2-CD 4.38Å; W213-K256 HydrophobicContact CE3-CB 3.65Å; W213-K256 HydrophobicContact CG-CB 4.39Å; W213-K256 HydrophobicContact CH2-CB 4.06Å; W213-K256 HydrophobicContact CH2-CD 4.14Å; W213-K256 HydrophobicContact CZ2-CB 4.13Å; W213-K256 HydrophobicContact CZ2-CD 3.61Å; W213-K256 HydrophobicContact CZ3-CB 3.84Å; W213-F353 HydrophobicContact CB-CD1 3.63Å; W213-F353 HydrophobicContact CB-CE1 4.14Å; W213-F353 HydrophobicContact CB-CG 4.39Å; W213-F353 AromaticContact CD2-CD1 3.87Å; W213-F353 HydrophobicContact CD2-CD1 3.87Å; W213-F353 HydrophobicContact CD2-CE1 4.45Å; W213-F353 AromaticContact CE3-CD1 3.94Å; W213-F353 HydrophobicContact CE3-CD1 3.94Å; W213-F353 HydrophobicContact CE3-CE1 4.09Å; W213-F353 AromaticContact CG-CD1 3.75Å; W213-F353 HydrophobicContact CG-CD1 3.75Å; W213-F353 HydrophobicContact CG-CE1 4.5Å; W213-L356 HydrophobicContact CH2-CB 3.82Å; W213-L356 HydrophobicContact CH2-CD1 3.64Å; W213-L356 HydrophobicContact CH2-CG 4.41Å; W213-L356 HydrophobicContact CZ2-CB 3.36Å; W213-L356 HydrophobicContact CZ2-CD1 4.02Å; W213-L356 HydrophobicContact CZ2-CG 4.37Å; W213-L356 HydrophobicContact CZ3-CD1 3.91Å; W213-S357 PolarHBondContact NE1-OG 3.28Å
214	I	98.9	Very high	94.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.2	173.7	-173.5	161.6	0	0	0	110.3	F186 V202 I206 F250 L255 K256 Y257	F186-I214 HydrophobicContact CB-CG1 4.41Å; F186-I214 HydrophobicContact CD1-CD1 4.01Å; F186-I214 HydrophobicContact CD1-CG1 4.24Å; F186-I214 CarbonylContact O-C 3.43Å; F186-I214 VanDerWaalsContact O-CA 3.25Å; F186-I214 WeakPolarHBondContact O-CA 3.26Å; V202-I214 HydrophobicContact CG1-CD1 3.61Å; I206-I214 HydrophobicContact CD1-CB 4.17Å; I206-I214 HydrophobicContact CD1-CD1 3.72Å; I206-I214 HydrophobicContact CD1-CG1 4.36Å; I214-F250 HydrophobicContact CD1-CD1 4.12Å; I214-F250 HydrophobicContact CD1-CD2 4.05Å; I214-F250 HydrophobicContact CD1-CE1 3.67Å; I214-F250 HydrophobicContact CD1-CE2 3.6Å; I214-F250 HydrophobicContact CD1-CG 4.31Å; I214-F250 HydrophobicContact CD1-CZ 3.39Å; I214-F250 HydrophobicContact CG1-CD2 4.23Å; I214-F250 HydrophobicContact CG1-CE2 3.87Å; I214-F250 HydrophobicContact CG1-CZ 4.16Å; I214-F250 HydrophobicContact CG2-CB 4.16Å; I214-F250 HydrophobicContact CG2-CD2 3.58Å; I214-F250 HydrophobicContact CG2-CE2 4.1Å; I214-F250 HydrophobicContact CG2-CG 3.9Å; I214-L255 HydrophobicContact CG2-CB 3.9Å; I214-L255 HydrophobicContact CG2-CD1 4.05Å; I214-K256 PolarHBondContact N-O 3.47Å; I214-Y257 WeakPolarHBondContact O-CA 3.36Å; I214-Y257 WeakPolarHBondContact O-CB 3.33Å
215	R	98.9	Very high	93.8	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.238	C	C	.	.			trans	-66.7	132.6	173.3	173	-177.8	-65.4	175.6	0.1	110.9	N51 D53 F186 D187 H193 P217 F261 E290 M292	N51-R215 PolarHBondContact ND2-NH2 3.01Å; D53-R215 IonicContact OD1-CZ 3.63Å; D53-R215 IonicContact OD1-NH1 2.71Å; D53-R215 PolarHBondContact OD1-NH1 3.29Å; D53-R215 IonicContact OD1-NH2 3.2Å; D53-R215 PolarHBondContact OD1-NH2 3.17Å; D53-R215 IonicContact OD2-CZ 3.74Å; D53-R215 IonicContact OD2-NH1 3.63Å; D53-R215 PolarHBondContact OD2-NH1 2.76Å; D53-R215 IonicContact OD2-NH2 2.85Å; F186-R215 PolarHBondContact O-N 2.94Å; D187-R215 HydrophobicContact CB-CB 3.65Å; D187-R215 HydrophobicContact CB-CG 4.44Å; D187-R215 IonicContact OD2-CZ 2.76Å; D187-R215 IonicContact OD2-NH2 3.66Å; D187-R215 PolarHBondContact OD2-NH2 3.17Å; H193-R215 PolarHBondContact NE2-O 3.43Å; R215-P217 HydrophobicContact CG-CB 4.32Å; R215-F261 VanDerWaalsContact CD-CE2 3.45Å; R215-F261 HydrophobicContact CG-CD2 3.94Å; R215-F261 HydrophobicContact CG-CE2 3.83Å; R215-E290 WeakPolarHBondContact CB-OE2 3.47Å; R215-E290 WeakPolarHBondContact CG-OE2 3.35Å; R215-E290 IonicContact CZ-OE1 3.53Å; R215-E290 IonicContact NE-OE1 3.43Å; R215-E290 PolarHBondContact NE-OE1 3.02Å; R215-E290 IonicContact NE-OE2 3.29Å; R215-E290 IonicContact NH2-OE1 2.76Å; R215-E290 PolarHBondContact NH2-OE1 3.46Å; R215-M292 PolarHBondContact NH1-SD 3.43Å
216	V	98.8	Very high	92.9	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.048	27%	0.273	C	S	.	.			trans	-114.8	97.7	165.6	173.6	0	0	0	0	107.4	M218 A243 K247 F250 Y257 F261	V216-M218 HydrophobicContact CG1-CB 4.2Å; V216-M218 HydrophobicContact CG1-CG 3.6Å; V216-M218 HydrophobicContact CG1-SD 3.74Å; V216-M218 PolarHBondContact O-N 3.35Å; V216-A243 HydrophobicContact CG1-CB 4.23Å; V216-K247 HydrophobicContact CG1-CB 4.02Å; V216-K247 HydrophobicContact CG1-CD 4.34Å; V216-K247 HydrophobicContact CG1-CG 4.4Å; V216-K247 HydrophobicContact CG2-CB 4.38Å; V216-F250 HydrophobicContact CG2-CD2 3.73Å; V216-F250 HydrophobicContact CG2-CE2 4.12Å; V216-Y257 HydrophobicContact CB-CG 4.45Å; V216-Y257 HydrophobicContact CG2-CD1 3.96Å; V216-Y257 HydrophobicContact CG2-CD2 4.27Å; V216-Y257 HydrophobicContact CG2-CG 3.67Å; V216-F261 WeakPolarHBondContact O-CB 3.22Å
217	P	98.5	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.295	C	S	.	.			trans	-78.7	53.4	-175.5	34	-33.1	0	0	0	112	H191 V194 R215 V239 A243 F261 M264	H191-P217 HydrophobicContact CB-CG 4.48Å; V194-P217 HydrophobicContact CG1-CG 4.13Å; V194-P217 HydrophobicContact CG2-CG 4.17Å; R215-P217 HydrophobicContact CG-CB 4.32Å; P217-V239 HydrophobicContact CB-CG1 4.25Å; P217-V239 HydrophobicContact CG-CG1 3.91Å; P217-A243 HydrophobicContact CG-CB 3.89Å; P217-F261 HydrophobicContact CB-CD1 3.97Å; P217-F261 HydrophobicContact CB-CE1 3.79Å; P217-F261 HydrophobicContact CB-CE2 4.37Å; P217-F261 HydrophobicContact CB-CG 4.33Å; P217-F261 HydrophobicContact CB-CZ 4Å; P217-M264 HydrophobicContact CB-CE 4.38Å; P217-M264 VanDerWaalsContact O-CE 3.27Å; P217-M264 WeakPolarHBondContact O-CE 3.46Å
218	M	97.5	Very high	91.5	Very high	53 Å²	53	56.3 Å²	56.3	26%	0.261	29%	0.285	S	S	.	.			trans	-83.9	108.9	170.1	-73.4	177.9	70.8	0	0	108.7	V216 A243 M244 K247	V216-M218 HydrophobicContact CG1-CB 4.2Å; V216-M218 HydrophobicContact CG1-CG 3.6Å; V216-M218 HydrophobicContact CG1-SD 3.74Å; V216-M218 PolarHBondContact O-N 3.35Å; M218-A243 HydrophobicContact CG-CB 3.62Å; M218-M244 HydrophobicContact CE-CB 3.84Å; M218-M244 HydrophobicContact CE-CE 3.8Å; M218-M244 HydrophobicContact CE-CG 3.77Å; M218-M244 HydrophobicContact CG-CB 4.45Å; M218-M244 VanDerWaalsContact SD-CA 3.6Å; M218-M244 HydrophobicContact SD-CB 4.07Å; M218-M244 HydrophobicContact SD-CG 4.36Å; M218-K247 HydrophobicContact SD-CB 4.44Å; M218-K247 HydrophobicContact SD-CD 3.7Å
219	E	95.7	Very high	91.2	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.061	28%	0.284	C	S	.	.			trans	-127.5	143.8	-179.3	-168.9	170.9	-170.1	0	0	109.9	I221 S240 F261 I262 G263 M264	E219-I221 HydrophobicContact CB-CD1 3.9Å; E219-I221 HydrophobicContact CG-CD1 3.92Å; E219-I221 PolarHBondContact O-N 3.28Å; E219-S240 PolarHBondContact N-OG 3.49Å; E219-S240 PolarHBondContact O-OG 2.72Å; E219-F261 HydrophobicContact CB-CD1 4.25Å; E219-I262 WeakPolarHBondContact OE1-CA 3.42Å; E219-G263 PolarHBondContact OE1-N 3.05Å; E219-G263 PolarHBondContact OE2-N 3.24Å; E219-M264 HydrophobicContact CB-CE 3.61Å; E219-M264 WeakPolarHBondContact OE2-CA 3.21Å; E219-M264 WeakPolarHBondContact OE2-CB 3.3Å; E219-M264 WeakPolarHBondContact OE2-CE 3.03Å; E219-M264 PolarHBondContact OE2-N 3.08Å
220	Y	90.6	Very high	90.9	Very high	170 Å²	170	58.8 Å²	58.8	67%	0.667	31%	0.306	S	S	*	.			trans	-75.4	114.8	167.9	174.4	-98.9	0	0	0	109
221	I	90.5	Very high	90.7	Very high	9 Å²	9	61.3 Å²	61.3	5%	0.046	32%	0.317	C	S	.	.			trans	-99.2	120.8	-179.2	-51.7	-55.4	0	0	0	109.4	E219 I233 Y236 R237 M264	E219-I221 HydrophobicContact CB-CD1 3.9Å; E219-I221 HydrophobicContact CG-CD1 3.92Å; E219-I221 PolarHBondContact O-N 3.28Å; I221-I233 HydrophobicContact CG2-CB 4.46Å; I221-I233 HydrophobicContact CG2-CG1 4.49Å; I221-I233 HydrophobicContact CG2-CG2 4.03Å; I221-Y236 HydrophobicContact CD1-CG 4.45Å; I221-R237 HydrophobicContact CB-CG 3.95Å; I221-R237 HydrophobicContact CG1-CG 4.23Å; I221-R237 HydrophobicContact CG2-CG 4.23Å; I221-M264 HydrophobicContact CD1-CE 4.34Å
222	P	82.5	Confident	90.5	Very high	27 Å²	27	64.8 Å²	64.8	18%	0.175	33%	0.334	C	S	.	.			trans	-60.8	147.4	-179.3	25.8	-34	0	0	0	111.6	T224	P222-T224 VanDerWaalsContact C-N 3.31Å; P222-T224 PolarHBondContact O-N 3.13Å
223	E	80.5	Confident	90.3	Very high	151 Å²	151	59.7 Å²	59.7	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-64.5	-35.2	-179.8	-66.7	-175.2	172	0	0	113.4
224	T	77.8	Confident	90.2	Very high	122 Å²	122	63 Å²	63	75%	0.748	33%	0.331	S	S	*	.			trans	-136.8	143.5	178.2	58.4	0	0	0	0	109.3	P222	P222-T224 VanDerWaalsContact C-N 3.31Å; P222-T224 PolarHBondContact O-N 3.13Å
225	S	78.8	Confident	90	Very high	40 Å²	40	64.3 Å²	64.3	28%	0.28	34%	0.336	S	S	.	.			trans	-139.4	143.5	173.7	176.2	0	0	0	0	109.4	Y227 I228	S225-Y227 PolarHBondContact OG-N 3.38Å; S225-Y227 VanDerWaalsContact OG-N 3.07Å; S225-I228 PolarHBondContact OG-N 3.49Å; S225-I228 VanDerWaalsContact OG-N 3.13Å
226	C	78.6	Confident	89.9	Confident	110 Å²	110	65 Å²	65	74%	0.743	34%	0.339	S	S	*	.	S	Bend	trans	-77.1	-9.9	170.5	52.8	0	0	0	0	112.7
227	Y	80.9	Confident	89.8	Confident	115 Å²	115	69 Å²	69	45%	0.451	35%	0.353	S	S	.	.	S	Bend	trans	-118.3	-22.2	-175.3	-49.4	-72.4	0	0	0	115	S225 N270	S225-Y227 PolarHBondContact OG-N 3.38Å; S225-Y227 VanDerWaalsContact OG-N 3.07Å; Y227-N270 WeakPolarHBondContact CB-OD1 3.44Å
228	I	87.5	Confident	89.7	Confident	11 Å²	11	73 Å²	73	6%	0.056	37%	0.372	C	S	.	.	S	Bend	trans	-105.1	130	-178.5	-50.5	167.5	0	0	0	108.5	S225 E232 I233 Y236 A265 N270	S225-I228 PolarHBondContact OG-N 3.49Å; S225-I228 VanDerWaalsContact OG-N 3.13Å; I228-E232 HydrophobicContact CG2-CB 3.39Å; I228-E232 HydrophobicContact CG2-CG 4.48Å; I228-I233 HydrophobicContact CB-CG1 4.14Å; I228-I233 HydrophobicContact CG2-CG1 3.7Å; I228-Y236 HydrophobicContact CG2-CD2 4.23Å; I228-Y236 HydrophobicContact CG2-CE2 3.74Å; I228-A265 HydrophobicContact CD1-CB 3.82Å; I228-N270 WeakPolarHBondContact CG1-ND2 3.48Å
229	T	91.1	Very high	89.7	Confident	78 Å²	78	70.4 Å²	70.4	48%	0.479	36%	0.359	S	S	.	.			trans	-70.7	157	176	65.4	0	0	0	0	111.5	S231 E232 I233	T229-S231 PolarHBondContact O-N 3.35Å; T229-E232 WeakPolarHBondContact CB-OE2 3.47Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.35Å; T229-E232 PolarHBondContact N-OE2 2.87Å; T229-E232 PolarHBondContact O-N 3.29Å; T229-E232 VanDerWaalsContact OG1-CD 3.27Å; T229-E232 VanDerWaalsContact OG1-CG 3.29Å; T229-E232 WeakPolarHBondContact OG1-CG 3.16Å; T229-E232 PolarHBondContact OG1-N 3.32Å; T229-E232 PolarHBondContact OG1-OE2 3Å; T229-I233 WeakPolarHBondContact O-CG1 3.39Å; T229-I233 PolarHBondContact O-N 3.36Å
230	E	91.7	Very high	89.9	Confident	154 Å²	154	70.6 Å²	70.6	72%	0.72	36%	0.362	S	S	*	.	H	α-helix	trans	-57.2	-37	175.1	-172.7	-179.9	177.2	0	0	112.2	E232 I233 N234	E230-E232 PolarHBondContact O-N 3.03Å; E230-I233 PolarHBondContact O-N 3.16Å; E230-N234 WeakPolarHBondContact O-CB 3.35Å; E230-N234 VanDerWaalsContact O-CG 3.24Å; E230-N234 PolarHBondContact O-N 3.47Å; E230-N234 PolarHBondContact O-ND2 2.92Å
231	S	92.2	Very high	90.2	Very high	92 Å²	92	67 Å²	67	64%	0.643	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-40.3	175.4	-177.7	0	0	0	0	112.4	T229 F235	T229-S231 PolarHBondContact O-N 3.35Å; S231-F235 WeakPolarHBondContact O-CB 3.35Å; S231-F235 PolarHBondContact O-N 3.05Å
232	E	93	Very high	90.6	Very high	78 Å²	78	67.6 Å²	67.6	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-71.4	-42.6	177.2	-73.5	161.7	141.4	0	0	111.1	I228 T229 E230 N234 F235 Y236	I228-E232 HydrophobicContact CG2-CB 3.39Å; I228-E232 HydrophobicContact CG2-CG 4.48Å; T229-E232 WeakPolarHBondContact CB-OE2 3.47Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.35Å; T229-E232 PolarHBondContact N-OE2 2.87Å; T229-E232 PolarHBondContact O-N 3.29Å; T229-E232 VanDerWaalsContact OG1-CD 3.27Å; T229-E232 VanDerWaalsContact OG1-CG 3.29Å; T229-E232 WeakPolarHBondContact OG1-CG 3.16Å; T229-E232 PolarHBondContact OG1-N 3.32Å; T229-E232 PolarHBondContact OG1-OE2 3Å; E230-E232 PolarHBondContact O-N 3.03Å; E232-N234 VanDerWaalsContact C-N 3.3Å; E232-N234 PolarHBondContact O-N 3.09Å; E232-F235 WeakPolarHBondContact O-CB 3.27Å; E232-F235 PolarHBondContact O-N 3.27Å; E232-F235 VanDerWaalsContact O-N 3.13Å; E232-Y236 HydrophobicContact CB-CE2 3.95Å; E232-Y236 VanDerWaalsContact O-CD2 3.26Å; E232-Y236 WeakPolarHBondContact O-CD2 3.46Å; E232-Y236 PolarHBondContact O-N 2.94Å
233	I	94.4	Very high	91.4	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.046	35%	0.348	C	S	.	.	H	α-helix	trans	-55	-48.1	173.9	-70.8	173.1	0	0	0	110.5	I221 I228 T229 E230 F235 Y236 R237	I221-I233 HydrophobicContact CG2-CB 4.46Å; I221-I233 HydrophobicContact CG2-CG1 4.49Å; I221-I233 HydrophobicContact CG2-CG2 4.03Å; I228-I233 HydrophobicContact CB-CG1 4.14Å; I228-I233 HydrophobicContact CG2-CG1 3.7Å; T229-I233 WeakPolarHBondContact O-CG1 3.39Å; T229-I233 PolarHBondContact O-N 3.36Å; E230-I233 PolarHBondContact O-N 3.16Å; I233-F235 VanDerWaalsContact C-N 3.34Å; I233-F235 PolarHBondContact O-N 3.24Å; I233-Y236 PolarHBondContact O-N 3.33Å; I233-R237 WeakPolarHBondContact O-CG 3.28Å; I233-R237 PolarHBondContact O-N 3.36Å
234	N	95	Very high	92.2	Very high	83 Å²	83	63.9 Å²	63.9	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-41.7	178.3	-72.2	-26.2	0	0	0	111.7	E230 E232 R237 E238	E230-N234 WeakPolarHBondContact O-CB 3.35Å; E230-N234 VanDerWaalsContact O-CG 3.24Å; E230-N234 PolarHBondContact O-N 3.47Å; E230-N234 PolarHBondContact O-ND2 2.92Å; E232-N234 VanDerWaalsContact C-N 3.3Å; E232-N234 PolarHBondContact O-N 3.09Å; N234-R237 PolarHBondContact O-N 3.38Å; N234-E238 PolarHBondContact O-N 2.87Å
235	F	95.5	Very high	93.2	Very high	26 Å²	26	64.6 Å²	64.6	11%	0.114	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-45.3	175.8	176.3	-103.6	0	0	0	112.2	K147 S231 E232 I233 R237 E238 V239	K147-F235 VanDerWaalsContact CE-CE2 3.47Å; K147-F235 VanDerWaalsContact NZ-CZ 3.29Å; S231-F235 WeakPolarHBondContact O-CB 3.35Å; S231-F235 PolarHBondContact O-N 3.05Å; E232-F235 WeakPolarHBondContact O-CB 3.27Å; E232-F235 PolarHBondContact O-N 3.27Å; E232-F235 VanDerWaalsContact O-N 3.13Å; I233-F235 VanDerWaalsContact C-N 3.34Å; I233-F235 PolarHBondContact O-N 3.24Å; F235-R237 VanDerWaalsContact C-N 3.34Å; F235-R237 PolarHBondContact O-N 2.79Å; F235-E238 WeakPolarHBondContact O-CB 3.48Å; F235-E238 PolarHBondContact O-N 3.48Å; F235-V239 HydrophobicContact CD1-CG2 4.46Å; F235-V239 HydrophobicContact CE1-CG2 3.92Å; F235-V239 HydrophobicContact CE2-CG2 4.03Å; F235-V239 HydrophobicContact CZ-CG2 3.66Å; F235-V239 WeakPolarHBondContact O-CG2 3.38Å; F235-V239 PolarHBondContact O-N 2.84Å
236	Y	96.6	Very high	94.1	Very high	16 Å²	16	62.7 Å²	62.7	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-36.3	179.5	-57.8	-32.6	0	0	0	112.3	I221 I228 E232 I233 V239 S240 M264	I221-Y236 HydrophobicContact CD1-CG 4.45Å; I228-Y236 HydrophobicContact CG2-CD2 4.23Å; I228-Y236 HydrophobicContact CG2-CE2 3.74Å; E232-Y236 HydrophobicContact CB-CE2 3.95Å; E232-Y236 VanDerWaalsContact O-CD2 3.26Å; E232-Y236 WeakPolarHBondContact O-CD2 3.46Å; E232-Y236 PolarHBondContact O-N 2.94Å; I233-Y236 PolarHBondContact O-N 3.33Å; Y236-V239 PolarHBondContact O-N 3.49Å; Y236-S240 WeakPolarHBondContact O-CB 3.38Å; Y236-S240 PolarHBondContact O-N 2.87Å; Y236-M264 HydrophobicContact CD1-CB 3.64Å; Y236-M264 HydrophobicContact CD1-CG 4.21Å; Y236-M264 HydrophobicContact CD1-SD 4.12Å; Y236-M264 HydrophobicContact CD2-CB 4.31Å; Y236-M264 HydrophobicContact CE1-CB 3.91Å; Y236-M264 VanDerWaalsContact CE2-O 3.29Å; Y236-M264 WeakPolarHBondContact CE2-O 3.24Å; Y236-M264 HydrophobicContact CG-CB 3.86Å; Y236-M264 PolarHBondContact OH-O 3.33Å
237	R	96.3	Very high	95.1	Very high	91 Å²	91	60.7 Å²	60.7	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-44.7	172.1	-74.6	173	173.3	-176.4	-9.2	111.8	I221 I233 N234 F235 V239 S240 D241	I221-R237 HydrophobicContact CB-CG 3.95Å; I221-R237 HydrophobicContact CG1-CG 4.23Å; I221-R237 HydrophobicContact CG2-CG 4.23Å; I233-R237 WeakPolarHBondContact O-CG 3.28Å; I233-R237 PolarHBondContact O-N 3.36Å; N234-R237 PolarHBondContact O-N 3.38Å; F235-R237 VanDerWaalsContact C-N 3.34Å; F235-R237 PolarHBondContact O-N 2.79Å; R237-V239 VanDerWaalsContact C-N 3.31Å; R237-V239 PolarHBondContact O-N 2.94Å; R237-S240 PolarHBondContact O-N 2.86Å; R237-D241 PolarHBondContact O-N 3.48Å
238	E	97	Very high	95.9	Very high	84 Å²	84	62.1 Å²	62.1	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-44.3	175.2	-170.4	-162.3	141.4	0	0	111.4	R151 N234 F235 D241 Q242	R151-E238 IonicContact NH1-OE1 3.38Å; R151-E238 PolarHBondContact NH1-OE1 3.27Å; N234-E238 PolarHBondContact O-N 2.87Å; F235-E238 WeakPolarHBondContact O-CB 3.48Å; F235-E238 PolarHBondContact O-N 3.48Å; E238-D241 PolarHBondContact O-N 2.95Å; E238-Q242 WeakPolarHBondContact O-CB 3.45Å; E238-Q242 VanDerWaalsContact O-CG 3.22Å; E238-Q242 WeakPolarHBondContact O-CG 3.29Å; E238-Q242 PolarHBondContact O-N 2.9Å; E238-Q242 PolarHBondContact OE1-NE2 3.19Å
239	V	98.2	Very high	96.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-42.8	176.3	172.5	0	0	0	0	111.3	H191 V194 P217 F235 Y236 R237 Q242 A243 M264	H191-V239 HydrophobicContact CB-CG1 3.75Å; H191-V239 HydrophobicContact CB-CG2 4.37Å; V194-V239 HydrophobicContact CG2-CG1 4.48Å; P217-V239 HydrophobicContact CB-CG1 4.25Å; P217-V239 HydrophobicContact CG-CG1 3.91Å; F235-V239 HydrophobicContact CD1-CG2 4.46Å; F235-V239 HydrophobicContact CE1-CG2 3.92Å; F235-V239 HydrophobicContact CE2-CG2 4.03Å; F235-V239 HydrophobicContact CZ-CG2 3.66Å; F235-V239 WeakPolarHBondContact O-CG2 3.38Å; F235-V239 PolarHBondContact O-N 2.84Å; Y236-V239 PolarHBondContact O-N 3.49Å; R237-V239 VanDerWaalsContact C-N 3.31Å; R237-V239 PolarHBondContact O-N 2.94Å; V239-Q242 PolarHBondContact O-N 2.97Å; V239-A243 VanDerWaalsContact O-CB 3.3Å; V239-A243 WeakPolarHBondContact O-CB 3.38Å; V239-A243 PolarHBondContact O-N 3.38Å; V239-M264 HydrophobicContact CB-SD 3.9Å; V239-M264 HydrophobicContact CG1-CE 4.23Å; V239-M264 HydrophobicContact CG1-SD 3.55Å; V239-M264 VanDerWaalsContact CG1-SD 3.55Å
240	S	98.1	Very high	96.8	Very high	16 Å²	16	60.2 Å²	60.2	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-40.9	178.7	-161.2	0	0	0	0	111.7	E219 Y236 R237 A243 M244	E219-S240 PolarHBondContact N-OG 3.49Å; E219-S240 PolarHBondContact O-OG 2.72Å; Y236-S240 WeakPolarHBondContact O-CB 3.38Å; Y236-S240 PolarHBondContact O-N 2.87Å; R237-S240 PolarHBondContact O-N 2.86Å; S240-A243 PolarHBondContact O-N 3.49Å; S240-M244 PolarHBondContact O-N 3.19Å
241	D	97.9	Very high	97.1	Very high	95 Å²	95	55.2 Å²	55.2	51%	0.508	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-39.3	174.4	-74	-16.7	0	0	0	112.4	R237 E238 M244 K245	R237-D241 PolarHBondContact O-N 3.48Å; E238-D241 PolarHBondContact O-N 2.95Å; D241-M244 PolarHBondContact O-N 3.11Å; D241-K245 PolarHBondContact O-N 2.85Å
242	Q	98.5	Very high	97.4	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-44	174.2	-76.7	165.8	-4.7	0	0	110.9	V194 E238 V239 M244 K245 A246	V194-Q242 HydrophobicContact CG2-CB 4.16Å; E238-Q242 WeakPolarHBondContact O-CB 3.45Å; E238-Q242 VanDerWaalsContact O-CG 3.22Å; E238-Q242 WeakPolarHBondContact O-CG 3.29Å; E238-Q242 PolarHBondContact O-N 2.9Å; E238-Q242 PolarHBondContact OE1-NE2 3.19Å; V239-Q242 PolarHBondContact O-N 2.97Å; Q242-M244 VanDerWaalsContact C-N 3.31Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-K245 PolarHBondContact O-N 2.85Å; Q242-A246 WeakPolarHBondContact O-CB 3.44Å; Q242-A246 PolarHBondContact O-N 3Å
243	A	98.7	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-37.5	176.7	0	0	0	0	0	112.5	V194 V216 P217 M218 V239 S240 K245 A246 K247	V194-A243 HydrophobicContact CG1-CB 4.3Å; V216-A243 HydrophobicContact CG1-CB 4.23Å; P217-A243 HydrophobicContact CG-CB 3.89Å; M218-A243 HydrophobicContact CG-CB 3.62Å; V239-A243 VanDerWaalsContact O-CB 3.3Å; V239-A243 WeakPolarHBondContact O-CB 3.38Å; V239-A243 PolarHBondContact O-N 3.38Å; S240-A243 PolarHBondContact O-N 3.49Å; A243-K245 VanDerWaalsContact C-N 3.32Å; A243-K245 PolarHBondContact O-N 3.41Å; A243-A246 PolarHBondContact O-N 2.92Å; A243-K247 VanDerWaalsContact O-CB 3.3Å; A243-K247 WeakPolarHBondContact O-CB 3.26Å; A243-K247 PolarHBondContact O-N 2.97Å
244	M	98.2	Very high	97.9	Very high	99 Å²	99	59.8 Å²	59.8	49%	0.488	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175.7	-170.3	-177.5	-60.4	0	0	112.3	M218 S240 D241 Q242 K247	M218-M244 HydrophobicContact CE-CB 3.84Å; M218-M244 HydrophobicContact CE-CE 3.8Å; M218-M244 HydrophobicContact CE-CG 3.77Å; M218-M244 HydrophobicContact CG-CB 4.45Å; M218-M244 VanDerWaalsContact SD-CA 3.6Å; M218-M244 HydrophobicContact SD-CB 4.07Å; M218-M244 HydrophobicContact SD-CG 4.36Å; S240-M244 PolarHBondContact O-N 3.19Å; D241-M244 PolarHBondContact O-N 3.11Å; Q242-M244 VanDerWaalsContact C-N 3.31Å; Q242-M244 PolarHBondContact O-N 3.48Å; M244-K247 WeakPolarHBondContact O-CB 3.44Å
245	K	98.2	Very high	98	Very high	137 Å²	137	56.4 Å²	56.4	60%	0.596	29%	0.287	S	S	*	.	H	α-helix	trans	-72	-46.1	176.5	-64.6	168.3	-174.6	169	0	111.3	D241 Q242 A243 K247 E248	D241-K245 PolarHBondContact O-N 2.85Å; Q242-K245 PolarHBondContact O-N 2.85Å; A243-K245 VanDerWaalsContact C-N 3.32Å; A243-K245 PolarHBondContact O-N 3.41Å; K245-K247 PolarHBondContact O-N 3.07Å; K245-E248 WeakPolarHBondContact O-CB 3.45Å; K245-E248 PolarHBondContact O-N 2.84Å; K245-E248 VanDerWaalsContact O-N 3.11Å
246	A	98.8	Very high	98.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-33.9	178.2	0	0	0	0	0	112.1	V194 D199 Q242 A243 E248 I249 F250	V194-A246 HydrophobicContact CB-CB 3.8Å; V194-A246 HydrophobicContact CG1-CB 3.86Å; D199-A246 HydrophobicContact CB-CB 3.82Å; Q242-A246 WeakPolarHBondContact O-CB 3.44Å; Q242-A246 PolarHBondContact O-N 3Å; A243-A246 PolarHBondContact O-N 2.92Å; A246-E248 VanDerWaalsContact C-N 3.29Å; A246-E248 PolarHBondContact O-N 3.31Å; A246-I249 CarbonylContact O-C 3.51Å; A246-I249 WeakPolarHBondContact O-CB 3.43Å; A246-I249 PolarHBondContact O-N 3.28Å; A246-I249 VanDerWaalsContact O-N 3.13Å; A246-F250 HydrophobicContact CB-CE1 4.3Å; A246-F250 HydrophobicContact CB-CE2 3.97Å; A246-F250 HydrophobicContact CB-CZ 3.82Å; A246-F250 WeakPolarHBondContact O-CD1 3.5Å; A246-F250 WeakPolarHBondContact O-CG 3.33Å; A246-F250 PolarHBondContact O-N 3.34Å
247	K	98.6	Very high	98.2	Very high	69 Å²	69	61.2 Å²	61.2	30%	0.3	31%	0.307	S	S	.	.	H	α-helix	trans	-56.4	-39.3	174.8	180	-179.3	173.7	172.8	0	112.9	V216 M218 A243 M244 K245 F250 S251 Y257	V216-K247 HydrophobicContact CG1-CB 4.02Å; V216-K247 HydrophobicContact CG1-CD 4.34Å; V216-K247 HydrophobicContact CG1-CG 4.4Å; V216-K247 HydrophobicContact CG2-CB 4.38Å; M218-K247 HydrophobicContact SD-CB 4.44Å; M218-K247 HydrophobicContact SD-CD 3.7Å; A243-K247 VanDerWaalsContact O-CB 3.3Å; A243-K247 WeakPolarHBondContact O-CB 3.26Å; A243-K247 PolarHBondContact O-N 2.97Å; M244-K247 WeakPolarHBondContact O-CB 3.44Å; K245-K247 PolarHBondContact O-N 3.07Å; K247-F250 PolarHBondContact O-N 3.25Å; K247-S251 WeakPolarHBondContact O-CB 3.39Å; K247-S251 PolarHBondContact O-N 2.81Å; K247-S251 PolarHBondContact O-OG 2.88Å; K247-Y257 HydrophobicContact CD-CE2 4.17Å; K247-Y257 VanDerWaalsContact CE-CE2 3.49Å; K247-Y257 WeakPolarHBondContact CE-OH 3.46Å; K247-Y257 HydrophobicContact CG-CE1 4.06Å; K247-Y257 HydrophobicContact CG-CE2 4.05Å
248	E	98.5	Very high	98.3	Very high	144 Å²	144	57 Å²	57	67%	0.673	29%	0.292	S	S	*	.	H	α-helix	trans	-65.1	-44	176.8	-62.5	-176.6	167.8	0	0	110.7	K245 A246 S251 S252	K245-E248 WeakPolarHBondContact O-CB 3.45Å; K245-E248 PolarHBondContact O-N 2.84Å; K245-E248 VanDerWaalsContact O-N 3.11Å; A246-E248 VanDerWaalsContact C-N 3.29Å; A246-E248 PolarHBondContact O-N 3.31Å; E248-S251 PolarHBondContact O-N 3.45Å; E248-S252 PolarHBondContact O-N 3.3Å
249	I	98.6	Very high	98.3	Very high	49 Å²	49	57.5 Å²	57.5	25%	0.251	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-52.1	174.5	-59	-57.8	0	0	0	110.4	V200 A203 A246 S251 S252 Y253	V200-I249 HydrophobicContact CG2-CD1 4.34Å; V200-I249 HydrophobicContact CG2-CG1 4.41Å; V200-I249 HydrophobicContact CG2-CG2 4.02Å; A203-I249 HydrophobicContact CB-CG2 4.05Å; A246-I249 CarbonylContact O-C 3.51Å; A246-I249 WeakPolarHBondContact O-CB 3.43Å; A246-I249 PolarHBondContact O-N 3.28Å; A246-I249 VanDerWaalsContact O-N 3.13Å; I249-S251 VanDerWaalsContact C-N 3.27Å; I249-S251 PolarHBondContact O-N 3.24Å; I249-S252 WeakPolarHBondContact O-CB 3.43Å; I249-S252 PolarHBondContact O-N 3.46Å; I249-S252 PolarHBondContact O-OG 3.32Å; I249-Y253 HydrophobicContact CG2-CD2 4.24Å; I249-Y253 HydrophobicContact CG2-CE2 4.2Å; I249-Y253 WeakPolarHBondContact O-CD2 3.38Å; I249-Y253 PolarHBondContact O-N 3.19Å
250	F	98.8	Very high	98.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-40.2	-179.7	-61.2	-15.1	0	0	0	112	V194 D199 A203 I214 V216 A246 K247 S252 Y253 S254 L255	V194-F250 HydrophobicContact CG1-CE2 4.17Å; V194-F250 HydrophobicContact CG1-CZ 4.23Å; D199-F250 HydrophobicContact CB-CE1 3.97Å; D199-F250 HydrophobicContact CB-CZ 4.34Å; A203-F250 HydrophobicContact CB-CD1 3.9Å; A203-F250 HydrophobicContact CB-CE1 4.33Å; I214-F250 HydrophobicContact CD1-CD1 4.12Å; I214-F250 HydrophobicContact CD1-CD2 4.05Å; I214-F250 HydrophobicContact CD1-CE1 3.67Å; I214-F250 HydrophobicContact CD1-CE2 3.6Å; I214-F250 HydrophobicContact CD1-CG 4.31Å; I214-F250 HydrophobicContact CD1-CZ 3.39Å; I214-F250 HydrophobicContact CG1-CD2 4.23Å; I214-F250 HydrophobicContact CG1-CE2 3.87Å; I214-F250 HydrophobicContact CG1-CZ 4.16Å; I214-F250 HydrophobicContact CG2-CB 4.16Å; I214-F250 HydrophobicContact CG2-CD2 3.58Å; I214-F250 HydrophobicContact CG2-CE2 4.1Å; I214-F250 HydrophobicContact CG2-CG 3.9Å; V216-F250 HydrophobicContact CG2-CD2 3.73Å; V216-F250 HydrophobicContact CG2-CE2 4.12Å; A246-F250 HydrophobicContact CB-CE1 4.3Å; A246-F250 HydrophobicContact CB-CE2 3.97Å; A246-F250 HydrophobicContact CB-CZ 3.82Å; A246-F250 WeakPolarHBondContact O-CD1 3.5Å; A246-F250 WeakPolarHBondContact O-CG 3.33Å; A246-F250 PolarHBondContact O-N 3.34Å; K247-F250 PolarHBondContact O-N 3.25Å; F250-S252 VanDerWaalsContact C-N 3.33Å; F250-S252 PolarHBondContact O-N 2.95Å; F250-Y253 CarbonylContact O-C 3.52Å; F250-Y253 PolarHBondContact O-N 2.83Å; F250-S254 PolarHBondContact O-N 3.21Å; F250-L255 HydrophobicContact CB-CB 4.21Å; F250-L255 HydrophobicContact CB-CD1 4.2Å; F250-L255 HydrophobicContact CD1-CD1 4.25Å; F250-L255 HydrophobicContact CG-CD1 4.38Å; F250-L255 WeakPolarHBondContact O-CB 3.46Å; F250-L255 PolarHBondContact O-N 3Å
251	S	98.5	Very high	98.2	Very high	49 Å²	49	58.7 Å²	58.7	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-38.9	175.7	-56	0	0	0	0	111.9	K247 E248 I249 Y253 S254 Y257	K247-S251 WeakPolarHBondContact O-CB 3.39Å; K247-S251 PolarHBondContact O-N 2.81Å; K247-S251 PolarHBondContact O-OG 2.88Å; E248-S251 PolarHBondContact O-N 3.45Å; I249-S251 VanDerWaalsContact C-N 3.27Å; I249-S251 PolarHBondContact O-N 3.24Å; S251-Y253 PolarHBondContact O-N 2.7Å; S251-S254 PolarHBondContact O-N 3.48Å; S251-Y257 WeakPolarHBondContact OG-CE1 3.31Å; S251-Y257 PolarHBondContact OG-OH 3.27Å
252	S	98.4	Very high	98.2	Very high	85 Å²	85	54.2 Å²	54.2	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-64.4	-26.8	177	78.5	0	0	0	0	113.5	E248 I249 F250 S254	E248-S252 PolarHBondContact O-N 3.3Å; I249-S252 WeakPolarHBondContact O-CB 3.43Å; I249-S252 PolarHBondContact O-N 3.46Å; I249-S252 PolarHBondContact O-OG 3.32Å; F250-S252 VanDerWaalsContact C-N 3.33Å; F250-S252 PolarHBondContact O-N 2.95Å; S252-S254 VanDerWaalsContact C-N 3.33Å
253	Y	98.5	Very high	98.1	Very high	82 Å²	82	53.2 Å²	53.2	32%	0.322	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	10.7	173.3	-76	-90.4	0	0	0	113.4	A203 S204 S207 I249 F250 S251 L255	A203-Y253 HydrophobicContact CB-CD2 3.5Å; A203-Y253 VanDerWaalsContact CB-CD2 3.5Å; A203-Y253 HydrophobicContact CB-CE2 3.98Å; A203-Y253 HydrophobicContact CB-CG 3.81Å; S204-Y253 VanDerWaalsContact CA-CE1 3.5Å; S207-Y253 WeakPolarHBondContact OG-CD1 3.39Å; I249-Y253 HydrophobicContact CG2-CD2 4.24Å; I249-Y253 HydrophobicContact CG2-CE2 4.2Å; I249-Y253 WeakPolarHBondContact O-CD2 3.38Å; I249-Y253 PolarHBondContact O-N 3.19Å; F250-Y253 CarbonylContact O-C 3.52Å; F250-Y253 PolarHBondContact O-N 2.83Å; S251-Y253 PolarHBondContact O-N 2.7Å; Y253-L255 PolarHBondContact O-N 2.88Å
254	S	98.1	Very high	98	Very high	109 Å²	109	53.2 Å²	53.2	76%	0.762	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	26.5	-178.2	-55.2	0	0	0	0	114.4	F250 S251 S252	F250-S254 PolarHBondContact O-N 3.21Å; S251-S254 PolarHBondContact O-N 3.48Å; S252-S254 VanDerWaalsContact C-N 3.33Å
255	L	98.6	Very high	97.8	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	25%	0.252	C	S	.	.			trans	-74.9	144	172.3	-62.3	172.6	0	0	0	110.1	A203 I206 I211 I214 F250 Y253	A203-L255 HydrophobicContact CB-CD1 3.99Å; I206-L255 HydrophobicContact CD1-CD1 3.88Å; I206-L255 HydrophobicContact CD1-CD2 4.17Å; I206-L255 HydrophobicContact CG1-CD1 3.96Å; I206-L255 HydrophobicContact CG1-CD2 3.95Å; I211-L255 WeakPolarHBondContact O-CD2 3.4Å; I214-L255 HydrophobicContact CG2-CB 3.9Å; I214-L255 HydrophobicContact CG2-CD1 4.05Å; F250-L255 HydrophobicContact CB-CB 4.21Å; F250-L255 HydrophobicContact CB-CD1 4.2Å; F250-L255 HydrophobicContact CD1-CD1 4.25Å; F250-L255 HydrophobicContact CG-CD1 4.38Å; F250-L255 WeakPolarHBondContact O-CB 3.46Å; F250-L255 PolarHBondContact O-N 3Å; Y253-L255 PolarHBondContact O-N 2.88Å
256	K	98.2	Very high	97.7	Very high	83 Å²	83	42.7 Å²	42.7	36%	0.361	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-92.5	150.9	172.7	-59.7	-177.2	-180	-178.7	0	109.6	K212 W213 I214 S357	K212-K256 WeakPolarHBondContact O-CA 3.31Å; K212-K256 WeakPolarHBondContact O-CB 3.25Å; K212-K256 PolarHBondContact O-N 3.33Å; W213-K256 CarbonylContact C-O 3.51Å; W213-K256 WeakPolarHBondContact CA-O 3.41Å; W213-K256 HydrophobicContact CD2-CB 3.73Å; W213-K256 HydrophobicContact CD2-CD 4.38Å; W213-K256 HydrophobicContact CE3-CB 3.65Å; W213-K256 HydrophobicContact CG-CB 4.39Å; W213-K256 HydrophobicContact CH2-CB 4.06Å; W213-K256 HydrophobicContact CH2-CD 4.14Å; W213-K256 HydrophobicContact CZ2-CB 4.13Å; W213-K256 HydrophobicContact CZ2-CD 3.61Å; W213-K256 HydrophobicContact CZ3-CB 3.84Å; I214-K256 PolarHBondContact N-O 3.47Å; K256-S357 PolarHBondContact NZ-OXT 2.87Å
257	Y	98.3	Very high	97.5	Very high	60 Å²	60	44.7 Å²	44.7	24%	0.235	23%	0.234	C	C	.	.			trans	-149.4	158.9	175.7	42.6	-98.6	0	0	0	108.4	I214 V216 K247 S251	I214-Y257 WeakPolarHBondContact O-CA 3.36Å; I214-Y257 WeakPolarHBondContact O-CB 3.33Å; V216-Y257 HydrophobicContact CB-CG 4.45Å; V216-Y257 HydrophobicContact CG2-CD1 3.96Å; V216-Y257 HydrophobicContact CG2-CD2 4.27Å; V216-Y257 HydrophobicContact CG2-CG 3.67Å; K247-Y257 HydrophobicContact CD-CE2 4.17Å; K247-Y257 VanDerWaalsContact CE-CE2 3.49Å; K247-Y257 WeakPolarHBondContact CE-OH 3.46Å; K247-Y257 HydrophobicContact CG-CE1 4.06Å; K247-Y257 HydrophobicContact CG-CE2 4.05Å; S251-Y257 WeakPolarHBondContact OG-CE1 3.31Å; S251-Y257 PolarHBondContact OG-OH 3.27Å
258	T	97.8	Very high	97.2	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.025	22%	0.22	C	C	.	.			trans	-67.1	153.6	174.6	47.6	0	0	0	0	111	I49 N260 N288 E290 F353	I49-T258 HydrophobicContact CD1-CG2 4.13Å; T258-N260 VanDerWaalsContact C-N 3.34Å; T258-N260 PolarHBondContact OG1-O 2.95Å; T258-N288 VanDerWaalsContact CA-OD1 3.24Å; T258-N288 WeakPolarHBondContact CA-OD1 3.28Å; T258-N288 HydrophobicContact CG2-CB 4.45Å; T258-E290 HydrophobicContact CG2-CB 3.88Å; T258-E290 WeakPolarHBondContact OG1-CB 3.23Å; T258-F353 HydrophobicContact CG2-CE1 4.15Å
259	Q	96.5	Very high	97	Very high	93 Å²	93	40.4 Å²	40.4	44%	0.435	21%	0.213	S	C	.	.	S	Bend	trans	-68.4	-38.7	-178.5	-70.1	-172.4	-32.3	0	0	111.9	N288	Q259-N288 PolarHBondContact N-O 3.16Å; Q259-N288 PolarHBondContact N-OD1 2.76Å
260	N	96.8	Very high	96.7	Very high	39 Å²	39	38.6 Å²	38.6	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152	178.6	-61.1	-55	0	0	0	110.2	T258 F283 C286 N288 I289 E290	T258-N260 VanDerWaalsContact C-N 3.34Å; T258-N260 PolarHBondContact OG1-O 2.95Å; N260-F283 HydrophobicContact CB-CD1 4.01Å; N260-F283 HydrophobicContact CB-CD2 3.99Å; N260-F283 HydrophobicContact CB-CE1 3.76Å; N260-F283 HydrophobicContact CB-CE2 3.73Å; N260-F283 HydrophobicContact CB-CG 4.13Å; N260-F283 HydrophobicContact CB-CZ 3.62Å; N260-F283 VanDerWaalsContact CG-CD1 3.4Å; N260-F283 WeakPolarHBondContact ND2-CG 3.07Å; N260-F283 WeakPolarHBondContact OD1-CD1 3.47Å; N260-C286 WeakPolarHBondContact ND2-CB 3.34Å; N260-N288 PolarHBondContact N-O 3.32Å; N260-I289 HydrophobicContact CB-CG1 4.33Å; N260-I289 HydrophobicContact CB-CG2 4.37Å; N260-I289 WeakPolarHBondContact O-CA 3.37Å; N260-E290 PolarHBondContact O-N 3.44Å
261	F	98.1	Very high	96.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.7	175.5	174.7	-86.2	0	0	0	109.4	R215 V216 P217 E219 M264 E290 M292	R215-F261 VanDerWaalsContact CD-CE2 3.45Å; R215-F261 HydrophobicContact CG-CD2 3.94Å; R215-F261 HydrophobicContact CG-CE2 3.83Å; V216-F261 WeakPolarHBondContact O-CB 3.22Å; P217-F261 HydrophobicContact CB-CD1 3.97Å; P217-F261 HydrophobicContact CB-CE1 3.79Å; P217-F261 HydrophobicContact CB-CE2 4.37Å; P217-F261 HydrophobicContact CB-CG 4.33Å; P217-F261 HydrophobicContact CB-CZ 4Å; E219-F261 HydrophobicContact CB-CD1 4.25Å; F261-M264 HydrophobicContact CE1-CE 4.24Å; F261-M264 HydrophobicContact CE1-CG 4.13Å; F261-E290 WeakPolarHBondContact CA-O 3.27Å; F261-E290 HydrophobicContact CD2-CB 4.04Å; F261-E290 HydrophobicContact CD2-CG 4.01Å; F261-E290 HydrophobicContact CE2-CG 4.22Å; F261-M292 HydrophobicContact CE2-CB 3.67Å; F261-M292 HydrophobicContact CZ-CB 3.5Å; F261-M292 HydrophobicContact CZ-CE 4.18Å; F261-M292 HydrophobicContact CZ-CG 4.31Å; F261-M292 HydrophobicContact CZ-SD 3.97Å
262	I	97.7	Very high	96.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.5	169.3	57.8	165.5	0	0	0	109.7	E219 L266 L276 L280 F283 I289 E290 F291 M292	E219-I262 WeakPolarHBondContact OE1-CA 3.42Å; I262-L266 HydrophobicContact CB-CD1 4.21Å; I262-L266 HydrophobicContact CD1-CD1 3.85Å; I262-L266 HydrophobicContact CG1-CD1 4.38Å; I262-L276 HydrophobicContact CD1-CD1 3.7Å; I262-L280 HydrophobicContact CD1-CD1 4.37Å; I262-L280 HydrophobicContact CD1-CD2 3.56Å; I262-L280 HydrophobicContact CD1-CG 3.83Å; I262-L280 HydrophobicContact CG1-CD2 4.46Å; I262-F283 HydrophobicContact CG2-CE2 3.6Å; I262-F283 HydrophobicContact CG2-CZ 3.77Å; I262-I289 HydrophobicContact CG1-CG2 4.27Å; I262-E290 PolarHBondContact N-O 3.1Å; I262-F291 HydrophobicContact CD1-CB 4.07Å; I262-F291 HydrophobicContact CD1-CD1 4.42Å; I262-F291 HydrophobicContact CD1-CD2 3.86Å; I262-F291 HydrophobicContact CD1-CE2 4.43Å; I262-F291 HydrophobicContact CD1-CG 3.86Å; I262-F291 HydrophobicContact CG1-CB 3.88Å; I262-F291 HydrophobicContact CG1-CD2 3.78Å; I262-F291 HydrophobicContact CG1-CG 3.99Å; I262-F291 WeakPolarHBondContact O-CA 3.32Å; I262-M292 PolarHBondContact O-N 3.29Å
263	G	97.1	Very high	96.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.18	C	C	.	.			trans	146	-26.1	168.6	0	0	0	0	0	114.8	E219 L266 M267 M292	E219-G263 PolarHBondContact OE1-N 3.05Å; E219-G263 PolarHBondContact OE2-N 3.24Å; G263-L266 PolarHBondContact O-N 3.09Å; G263-M267 VanDerWaalsContact O-CG 3.22Å; G263-M267 WeakPolarHBondContact O-CG 3.44Å; G263-M267 PolarHBondContact O-N 3.13Å; G263-M292 VanDerWaalsContact C-CE 3.48Å
264	M	96.2	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-67.1	-43	179.3	-63.9	179.4	-75.2	0	0	110.6	P217 E219 I221 Y236 V239 F261 L266 M292	P217-M264 HydrophobicContact CB-CE 4.38Å; P217-M264 VanDerWaalsContact O-CE 3.27Å; P217-M264 WeakPolarHBondContact O-CE 3.46Å; E219-M264 HydrophobicContact CB-CE 3.61Å; E219-M264 WeakPolarHBondContact OE2-CA 3.21Å; E219-M264 WeakPolarHBondContact OE2-CB 3.3Å; E219-M264 WeakPolarHBondContact OE2-CE 3.03Å; E219-M264 PolarHBondContact OE2-N 3.08Å; I221-M264 HydrophobicContact CD1-CE 4.34Å; Y236-M264 HydrophobicContact CD1-CB 3.64Å; Y236-M264 HydrophobicContact CD1-CG 4.21Å; Y236-M264 HydrophobicContact CD1-SD 4.12Å; Y236-M264 HydrophobicContact CD2-CB 4.31Å; Y236-M264 HydrophobicContact CE1-CB 3.91Å; Y236-M264 VanDerWaalsContact CE2-O 3.29Å; Y236-M264 WeakPolarHBondContact CE2-O 3.24Å; Y236-M264 HydrophobicContact CG-CB 3.86Å; Y236-M264 PolarHBondContact OH-O 3.33Å; V239-M264 HydrophobicContact CB-SD 3.9Å; V239-M264 HydrophobicContact CG1-CE 4.23Å; V239-M264 HydrophobicContact CG1-SD 3.55Å; V239-M264 VanDerWaalsContact CG1-SD 3.55Å; F261-M264 HydrophobicContact CE1-CE 4.24Å; F261-M264 HydrophobicContact CE1-CG 4.13Å; M264-L266 PolarHBondContact O-N 2.92Å; M264-M292 HydrophobicContact CG-CE 4.1Å
265	A	94.2	Very high	95.8	Very high	12 Å²	12	34.5 Å²	34.5	10%	0.099	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.9	176.8	0	0	0	0	0	113.5	I228	I228-A265 HydrophobicContact CD1-CB 3.82Å
266	L	95	Very high	95.6	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	3.2	-175.4	-60.2	177.7	0	0	0	113.5	I262 G263 M264 Q271 S275 L276 F291	I262-L266 HydrophobicContact CB-CD1 4.21Å; I262-L266 HydrophobicContact CD1-CD1 3.85Å; I262-L266 HydrophobicContact CG1-CD1 4.38Å; G263-L266 PolarHBondContact O-N 3.09Å; M264-L266 PolarHBondContact O-N 2.92Å; L266-Q271 WeakPolarHBondContact O-CA 3.4Å; L266-Q271 WeakPolarHBondContact O-CB 3.36Å; L266-Q271 PolarHBondContact O-N 3.2Å; L266-Q271 VanDerWaalsContact O-N 3.11Å; L266-S275 VanDerWaalsContact CD2-CB 3.42Å; L266-L276 HydrophobicContact CD1-CD1 4.03Å; L266-F291 HydrophobicContact CB-CE2 4.21Å; L266-F291 HydrophobicContact CD1-CD2 4.39Å; L266-F291 HydrophobicContact CD1-CE2 3.77Å; L266-F291 HydrophobicContact CD1-CZ 4.21Å
267	M	94.3	Very high	95.4	Very high	41 Å²	41	32.7 Å²	32.7	20%	0.202	16%	0.162	C	C	.	.			trans	-60.3	142.7	-178	-63.8	-177.8	63.4	0	0	113.1	G263 N270 M292 F321	G263-M267 VanDerWaalsContact O-CG 3.22Å; G263-M267 WeakPolarHBondContact O-CG 3.44Å; G263-M267 PolarHBondContact O-N 3.13Å; M267-N270 WeakPolarHBondContact O-CB 3.49Å; M267-N270 PolarHBondContact O-N 3.45Å; M267-M292 HydrophobicContact CG-CE 4.35Å; M267-M292 HydrophobicContact SD-CE 4.39Å; M267-F321 HydrophobicContact CE-CD1 4.08Å; M267-F321 HydrophobicContact CE-CE1 3.52Å; M267-F321 HydrophobicContact CE-CE2 4.19Å; M267-F321 HydrophobicContact CE-CZ 3.61Å
268	G	93.9	Very high	95.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	59.7	-136.8	173.6	0	0	0	0	0	113.6	N270 Q271 D326 H329 E330	G268-N270 PolarHBondContact O-N 3.4Å; G268-Q271 VanDerWaalsContact O-CB 3.29Å; G268-Q271 WeakPolarHBondContact O-CB 3.25Å; G268-Q271 PolarHBondContact O-N 3.24Å; G268-D326 VanDerWaalsContact CA-CB 3.46Å; G268-H329 PolarHBondContact O-CD2 2.97Å; G268-E330 WeakPolarHBondContact CA-OE1 3.47Å; G268-E330 PolarHBondContact N-OE1 3.18Å
269	K	93.1	Very high	94.8	Very high	122 Å²	122	36.9 Å²	36.9	53%	0.53	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-51.1	-17.5	176	70.1	-172.3	179	-176.6	0	115.2	Q271 D326	K269-Q271 PolarHBondContact O-N 3.12Å; K269-D326 PolarHBondContact N-OD1 2.99Å
270	N	92.8	Very high	94.7	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.064	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-77	-15.5	178.8	-56.5	-7.9	0	0	0	112.2	Y227 I228 M267 G268 T272 S275	Y227-N270 WeakPolarHBondContact CB-OD1 3.44Å; I228-N270 WeakPolarHBondContact CG1-ND2 3.48Å; M267-N270 WeakPolarHBondContact O-CB 3.49Å; M267-N270 PolarHBondContact O-N 3.45Å; G268-N270 PolarHBondContact O-N 3.4Å; N270-T272 VanDerWaalsContact C-N 3.33Å; N270-T272 PolarHBondContact O-N 3.39Å; N270-S275 VanDerWaalsContact O-CB 3.22Å; N270-S275 WeakPolarHBondContact O-CB 3.49Å; N270-S275 PolarHBondContact O-OG 2.86Å
271	Q	95.5	Very high	94.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	18%	0.18	C	C	.	.			trans	-72.3	87.3	176.9	-155.8	171.5	-83.9	0	0	110.2	L266 G268 K269 F291 H329 E330 F333	L266-Q271 WeakPolarHBondContact O-CA 3.4Å; L266-Q271 WeakPolarHBondContact O-CB 3.36Å; L266-Q271 PolarHBondContact O-N 3.2Å; L266-Q271 VanDerWaalsContact O-N 3.11Å; G268-Q271 VanDerWaalsContact O-CB 3.29Å; G268-Q271 WeakPolarHBondContact O-CB 3.25Å; G268-Q271 PolarHBondContact O-N 3.24Å; K269-Q271 PolarHBondContact O-N 3.12Å; Q271-F291 HydrophobicContact CG-CZ 4.01Å; Q271-H329 PolarHBondContact O-NE2 3.16Å; Q271-E330 HydrophobicContact CB-CG 4.18Å; Q271-E330 PolarHBondContact NE2-O 3.35Å; Q271-E330 PolarHBondContact OE1-OE2 3.03Å; Q271-F333 HydrophobicContact CG-CD1 3.69Å; Q271-F333 HydrophobicContact CG-CE1 3.83Å; Q271-F333 HydrophobicContact CG-CG 4.05Å; Q271-F333 HydrophobicContact CG-CZ 4.34Å; Q271-F333 VanDerWaalsContact O-CD2 3.31Å; Q271-F333 WeakPolarHBondContact O-CD2 3.28Å
272	T	95.4	Very high	93.5	Very high	42 Å²	42	37.2 Å²	37.2	26%	0.258	20%	0.201	S	C	.	.			trans	-128.3	161	177.8	74.8	0	0	0	0	109.5	N270 E274 S275 L276	N270-T272 VanDerWaalsContact C-N 3.33Å; N270-T272 PolarHBondContact O-N 3.39Å; T272-E274 PolarHBondContact O-N 3.41Å; T272-S275 PolarHBondContact O-N 3.01Å; T272-S275 PolarHBondContact OG1-N 3.38Å; T272-S275 VanDerWaalsContact OG1-N 3.14Å; T272-S275 PolarHBondContact OG1-OG 3.28Å; T272-L276 WeakPolarHBondContact O-CB 3.35Å; T272-L276 PolarHBondContact O-N 2.91Å
273	I	96.4	Very high	93.1	Very high	32 Å²	32	39 Å²	39	16%	0.164	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-38.3	176.6	-65.3	-62	0	0	0	110.9	Y29 D277 F333 E338 Y342	Y29-I273 HydrophobicContact CE2-CG2 4.06Å; Y29-I273 WeakPolarHBondContact OH-CG2 3.42Å; I273-D277 WeakPolarHBondContact O-CB 3.44Å; I273-D277 PolarHBondContact O-N 3.48Å; I273-F333 HydrophobicContact CD1-CE2 3.73Å; I273-F333 HydrophobicContact CD1-CZ 3.8Å; I273-F333 HydrophobicContact CG1-CE2 3.99Å; I273-E338 HydrophobicContact CD1-CB 4.33Å; I273-E338 HydrophobicContact CG1-CB 4.21Å; I273-Y342 HydrophobicContact CD1-CD2 4.37Å; I273-Y342 HydrophobicContact CD1-CG 4.24Å; I273-Y342 HydrophobicContact CG2-CD2 3.89Å; I273-Y342 HydrophobicContact CG2-CE2 4.42Å
274	E	93.7	Very high	92.2	Very high	142 Å²	142	45.8 Å²	45.8	66%	0.664	25%	0.245	S	C	*	.	H	α-helix	trans	-63.9	-48.8	178.6	-177	173.6	-177.6	0	0	111.7	T272 D277 Q278	T272-E274 PolarHBondContact O-N 3.41Å; E274-D277 PolarHBondContact O-N 3.39Å; E274-Q278 WeakPolarHBondContact O-CB 3.46Å; E274-Q278 PolarHBondContact O-N 2.94Å
275	S	92.7	Very high	91.4	Very high	20 Å²	20	51.7 Å²	51.7	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-40.4	178	-49.3	0	0	0	0	112.3	L266 N270 T272 Q278 S279	L266-S275 VanDerWaalsContact CD2-CB 3.42Å; N270-S275 VanDerWaalsContact O-CB 3.22Å; N270-S275 WeakPolarHBondContact O-CB 3.49Å; N270-S275 PolarHBondContact O-OG 2.86Å; T272-S275 PolarHBondContact O-N 3.01Å; T272-S275 PolarHBondContact OG1-N 3.38Å; T272-S275 VanDerWaalsContact OG1-N 3.14Å; T272-S275 PolarHBondContact OG1-OG 3.28Å; S275-Q278 PolarHBondContact O-N 3.24Å; S275-S279 WeakPolarHBondContact O-CB 3.34Å; S275-S279 PolarHBondContact O-N 3.11Å; S275-S279 PolarHBondContact O-OG 2.9Å
276	L	94.8	Very high	91	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-46.5	177	179.5	64.3	0	0	0	110.2	I262 L266 T272 S279 L280 F291 F333 F339 Y342	I262-L276 HydrophobicContact CD1-CD1 3.7Å; L266-L276 HydrophobicContact CD1-CD1 4.03Å; T272-L276 WeakPolarHBondContact O-CB 3.35Å; T272-L276 PolarHBondContact O-N 2.91Å; L276-S279 PolarHBondContact O-N 2.93Å; L276-L280 HydrophobicContact CD1-CD1 3.56Å; L276-L280 HydrophobicContact CD1-CG 4.02Å; L276-L280 HydrophobicContact CD2-CD1 4.43Å; L276-L280 HydrophobicContact CG-CD1 3.78Å; L276-L280 HydrophobicContact CG-CG 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 WeakPolarHBondContact O-CG 3.41Å; L276-L280 PolarHBondContact O-N 2.67Å; L276-F291 HydrophobicContact CD1-CD1 4.32Å; L276-F291 HydrophobicContact CD1-CE1 3.93Å; L276-F291 HydrophobicContact CD1-CZ 4.17Å; L276-F333 HydrophobicContact CD2-CE1 4.29Å; L276-F333 HydrophobicContact CD2-CZ 3.9Å; L276-F339 HydrophobicContact CD2-CD2 3.89Å; L276-F339 HydrophobicContact CD2-CE2 3.75Å; L276-Y342 HydrophobicContact CD2-CD1 3.76Å; L276-Y342 HydrophobicContact CD2-CE1 3.84Å; L276-Y342 HydrophobicContact CD2-CG 4.35Å; L276-Y342 HydrophobicContact CG-CD1 4.48Å; L276-Y342 HydrophobicContact CG-CE1 4.08Å
277	D	93.9	Very high	90.8	Very high	56 Å²	56	58.5 Å²	58.5	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-44.4	178.4	-168.7	61.7	0	0	0	112.4	I273 E274 S279 L280 S281 Y342 H346	I273-D277 WeakPolarHBondContact O-CB 3.44Å; I273-D277 PolarHBondContact O-N 3.48Å; E274-D277 PolarHBondContact O-N 3.39Å; D277-S279 PolarHBondContact O-N 3.35Å; D277-L280 PolarHBondContact O-N 3.4Å; D277-S281 WeakPolarHBondContact O-CB 3.25Å; D277-S281 PolarHBondContact O-N 2.85Å; D277-S281 PolarHBondContact O-OG 3.13Å; D277-Y342 WeakPolarHBondContact CA-OH 3.37Å; D277-Y342 HydrophobicContact CB-CE2 3.82Å; D277-Y342 WeakPolarHBondContact OD1-CE2 3.22Å; D277-Y342 PolarHBondContact OD1-OH 3.25Å; D277-H346 IonicContact OD1-CE1 3.99Å; D277-H346 IonicContact OD1-NE2 3.48Å; D277-H346 PolarHBondContact OD1-NE2 3.27Å
278	Q	91.4	Very high	90.9	Very high	127 Å²	127	57.6 Å²	57.6	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-58.4	-37.9	174.5	-176.1	179.3	-6.7	0	0	112.2	E274 S275 S281	E274-Q278 WeakPolarHBondContact O-CB 3.46Å; E274-Q278 PolarHBondContact O-N 2.94Å; S275-Q278 PolarHBondContact O-N 3.24Å; Q278-S281 PolarHBondContact O-OG 3.34Å
279	S	92	Very high	91.1	Very high	25 Å²	25	57.5 Å²	57.5	18%	0.175	30%	0.301	C	S	.	.	H	α-helix	trans	-73.2	-47.5	-179.6	-55.4	0	0	0	0	111.3	S275 L276 D277 S282	S275-S279 WeakPolarHBondContact O-CB 3.34Å; S275-S279 PolarHBondContact O-N 3.11Å; S275-S279 PolarHBondContact O-OG 2.9Å; L276-S279 PolarHBondContact O-N 2.93Å; D277-S279 PolarHBondContact O-N 3.35Å; S279-S282 PolarHBondContact O-OG 2.95Å
280	L	93.1	Very high	91.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-77.9	-34	-174.3	-73.7	178.9	0	0	0	113.8	I262 L276 D277 S282 F283 I289 Y342 Y348	I262-L280 HydrophobicContact CD1-CD1 4.37Å; I262-L280 HydrophobicContact CD1-CD2 3.56Å; I262-L280 HydrophobicContact CD1-CG 3.83Å; I262-L280 HydrophobicContact CG1-CD2 4.46Å; L276-L280 HydrophobicContact CD1-CD1 3.56Å; L276-L280 HydrophobicContact CD1-CG 4.02Å; L276-L280 HydrophobicContact CD2-CD1 4.43Å; L276-L280 HydrophobicContact CG-CD1 3.78Å; L276-L280 HydrophobicContact CG-CG 4.45Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 WeakPolarHBondContact O-CG 3.41Å; L276-L280 PolarHBondContact O-N 2.67Å; D277-L280 PolarHBondContact O-N 3.4Å; L280-S282 PolarHBondContact O-N 3.23Å; L280-S282 VanDerWaalsContact O-N 3.1Å; L280-F283 HydrophobicContact CD2-CD2 4.04Å; L280-F283 HydrophobicContact CD2-CE2 4.11Å; L280-F283 PolarHBondContact O-N 3.03Å; L280-I289 HydrophobicContact CD2-CD1 3.54Å; L280-I289 HydrophobicContact CD2-CG2 4.19Å; L280-Y342 HydrophobicContact CD1-CE1 3.68Å; L280-Y348 WeakPolarHBondContact CB-OH 3.5Å; L280-Y348 HydrophobicContact CD1-CE2 3.81Å
281	S	88.4	Confident	91.6	Very high	73 Å²	73	51.1 Å²	51.1	51%	0.51	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	178.2	59.1	0	0	0	0	113.4	D277 Q278 F283	D277-S281 WeakPolarHBondContact O-CB 3.25Å; D277-S281 PolarHBondContact O-N 2.85Å; D277-S281 PolarHBondContact O-OG 3.13Å; Q278-S281 PolarHBondContact O-OG 3.34Å; S281-F283 PolarHBondContact O-N 3.45Å
282	S	83.2	Confident	91.8	Very high	66 Å²	66	51.2 Å²	51.2	46%	0.462	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.7	173.7	76	0	0	0	0	113.6	S279 L280	S279-S282 PolarHBondContact O-OG 2.95Å; L280-S282 PolarHBondContact O-N 3.23Å; L280-S282 VanDerWaalsContact O-N 3.1Å
283	F	88.2	Confident	92	Very high	39 Å²	39	49.2 Å²	49.2	17%	0.171	26%	0.26	C	S	.	.			trans	-97.8	102.3	-175.9	-53.7	-41.3	0	0	0	112.2	N260 I262 L280 S281 C286 I289	N260-F283 HydrophobicContact CB-CD1 4.01Å; N260-F283 HydrophobicContact CB-CD2 3.99Å; N260-F283 HydrophobicContact CB-CE1 3.76Å; N260-F283 HydrophobicContact CB-CE2 3.73Å; N260-F283 HydrophobicContact CB-CG 4.13Å; N260-F283 HydrophobicContact CB-CZ 3.62Å; N260-F283 VanDerWaalsContact CG-CD1 3.4Å; N260-F283 WeakPolarHBondContact ND2-CG 3.07Å; N260-F283 WeakPolarHBondContact OD1-CD1 3.47Å; I262-F283 HydrophobicContact CG2-CE2 3.6Å; I262-F283 HydrophobicContact CG2-CZ 3.77Å; L280-F283 HydrophobicContact CD2-CD2 4.04Å; L280-F283 HydrophobicContact CD2-CE2 4.11Å; L280-F283 PolarHBondContact O-N 3.03Å; S281-F283 PolarHBondContact O-N 3.45Å; F283-C286 HydrophobicContact CB-CB 4.37Å; F283-I289 HydrophobicContact CD2-CD1 3.84Å; F283-I289 HydrophobicContact CD2-CG1 4.49Å; F283-I289 HydrophobicContact CE2-CD1 4.47Å; F283-I289 HydrophobicContact CE2-CG2 4.46Å
284	N	78.4	Confident	92.1	Very high	144 Å²	144	48.3 Å²	48.3	77%	0.77	26%	0.255	S	S	*	.			trans	-84.9	131.8	171.8	-71.2	-33.4	0	0	0	111.5	C286	N284-C286 VanDerWaalsContact C-N 3.25Å; N284-C286 PolarHBondContact O-N 2.94Å; N284-C286 VanDerWaalsContact O-N 3.16Å
285	N	80	Confident	92.3	Very high	124 Å²	124	41.5 Å²	41.5	66%	0.663	22%	0.224	S	C	*	.	S	Bend	trans	51.9	37.1	169.8	-63.7	-31.3	0	0	0	114.9	F43	F43-N285 VanDerWaalsContact CD1-OD1 3.29Å; F43-N285 WeakPolarHBondContact CD1-OD1 3.48Å; F43-N285 WeakPolarHBondContact CE1-OD1 3.22Å
286	C	85.3	Confident	92.5	Very high	11 Å²	11	40.6 Å²	40.6	7%	0.074	22%	0.217	C	C	.	.			trans	-82.3	149.2	177.8	71.1	0	0	0	0	111.7	T46 N260 F283 N284 I289	T46-C286 WeakPolarHBondContact CG2-SG 3.29Å; T46-C286 PolarHBondContact OG1-O 3.4Å; N260-C286 WeakPolarHBondContact ND2-CB 3.34Å; F283-C286 HydrophobicContact CB-CB 4.37Å; N284-C286 VanDerWaalsContact C-N 3.25Å; N284-C286 PolarHBondContact O-N 2.94Å; N284-C286 VanDerWaalsContact O-N 3.16Å; C286-I289 VanDerWaalsContact SG-CD1 3.53Å; C286-I289 VanDerWaalsContact SG-CG1 3.54Å
287	K	91.6	Very high	92.6	Very high	147 Å²	147	43.6 Å²	43.6	64%	0.639	23%	0.229	S	C	*	.	S	Bend	trans	-89	-41	-176.3	-65.5	-176.9	179.1	179.9	0	112.2	K47	K47-K287 VanDerWaalsContact CB-O 3.3Å; K47-K287 WeakPolarHBondContact CB-O 3.46Å; K47-K287 PolarHBondContact N-O 3.25Å; K47-K287 VanDerWaalsContact N-O 3.14Å
288	N	95.9	Very high	92.7	Very high	22 Å²	22	47 Å²	47	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	142	-179.1	53.3	42.6	0	0	0	111.9	K47 T258 Q259 N260 L356	K47-N288 HydrophobicContact CB-CB 4.22Å; K47-N288 CarbonylContact O-C 3.48Å; K47-N288 WeakPolarHBondContact O-CA 3.45Å; T258-N288 VanDerWaalsContact CA-OD1 3.24Å; T258-N288 WeakPolarHBondContact CA-OD1 3.28Å; T258-N288 HydrophobicContact CG2-CB 4.45Å; Q259-N288 PolarHBondContact N-O 3.16Å; Q259-N288 PolarHBondContact N-OD1 2.76Å; N260-N288 PolarHBondContact N-O 3.32Å; N288-L356 HydrophobicContact CB-CD1 4.09Å; N288-L356 HydrophobicContact CB-CD2 4.46Å
289	I	97.6	Very high	92.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.2	178.4	-51.9	176	0	0	0	107.8	T46 K47 I48 I49 N260 I262 L280 F283 C286 Y348	T46-I289 HydrophobicContact CG2-CD1 3.85Å; T46-I289 HydrophobicContact CG2-CG1 4.03Å; K47-I289 PolarHBondContact O-N 2.84Å; I48-I289 WeakPolarHBondContact CA-O 3.5Å; I48-I289 HydrophobicContact CG1-CB 4.33Å; I49-I289 PolarHBondContact N-O 3.29Å; N260-I289 HydrophobicContact CB-CG1 4.33Å; N260-I289 HydrophobicContact CB-CG2 4.37Å; N260-I289 WeakPolarHBondContact O-CA 3.37Å; I262-I289 HydrophobicContact CG1-CG2 4.27Å; L280-I289 HydrophobicContact CD2-CD1 3.54Å; L280-I289 HydrophobicContact CD2-CG2 4.19Å; F283-I289 HydrophobicContact CD2-CD1 3.84Å; F283-I289 HydrophobicContact CD2-CG1 4.49Å; F283-I289 HydrophobicContact CE2-CD1 4.47Å; F283-I289 HydrophobicContact CE2-CG2 4.46Å; C286-I289 VanDerWaalsContact SG-CD1 3.53Å; C286-I289 VanDerWaalsContact SG-CG1 3.54Å; I289-Y348 HydrophobicContact CD1-CE1 3.9Å
290	E	98.5	Very high	92.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.8	162.7	-177.9	178.7	-174.4	0	0	109.4	I49 R215 T258 N260 F261 I262 F353	I49-E290 CarbonylContact O-C 3.09Å; I49-E290 WeakPolarHBondContact O-CA 3.25Å; R215-E290 WeakPolarHBondContact CB-OE2 3.47Å; R215-E290 WeakPolarHBondContact CG-OE2 3.35Å; R215-E290 IonicContact CZ-OE1 3.53Å; R215-E290 IonicContact NE-OE1 3.43Å; R215-E290 PolarHBondContact NE-OE1 3.02Å; R215-E290 IonicContact NE-OE2 3.29Å; R215-E290 IonicContact NH2-OE1 2.76Å; R215-E290 PolarHBondContact NH2-OE1 3.46Å; T258-E290 HydrophobicContact CG2-CB 3.88Å; T258-E290 WeakPolarHBondContact OG1-CB 3.23Å; N260-E290 PolarHBondContact O-N 3.44Å; F261-E290 WeakPolarHBondContact CA-O 3.27Å; F261-E290 HydrophobicContact CD2-CB 4.04Å; F261-E290 HydrophobicContact CD2-CG 4.01Å; F261-E290 HydrophobicContact CE2-CG 4.22Å; I262-E290 PolarHBondContact N-O 3.1Å; E290-F353 HydrophobicContact CG-CZ 4.23Å
291	F	98.6	Very high	92.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	103.7	171.4	179.6	-162.8	0	0	0	108.9	I48 I49 V50 N51 I262 L266 Q271 L276 V293 L334 F339	I48-F291 HydrophobicContact CD1-CB 4.19Å; I48-F291 HydrophobicContact CG1-CB 4.34Å; I49-F291 PolarHBondContact O-N 3.4Å; V50-F291 CarbonylContact C-O 3.58Å; V50-F291 WeakPolarHBondContact CA-O 3.41Å; V50-F291 HydrophobicContact CG1-CD1 4.13Å; V50-F291 HydrophobicContact CG2-CB 4.33Å; V50-F291 HydrophobicContact CG2-CD1 4.03Å; N51-F291 PolarHBondContact N-O 3.47Å; I262-F291 HydrophobicContact CD1-CB 4.07Å; I262-F291 HydrophobicContact CD1-CD1 4.42Å; I262-F291 HydrophobicContact CD1-CD2 3.86Å; I262-F291 HydrophobicContact CD1-CE2 4.43Å; I262-F291 HydrophobicContact CD1-CG 3.86Å; I262-F291 HydrophobicContact CG1-CB 3.88Å; I262-F291 HydrophobicContact CG1-CD2 3.78Å; I262-F291 HydrophobicContact CG1-CG 3.99Å; I262-F291 WeakPolarHBondContact O-CA 3.32Å; L266-F291 HydrophobicContact CB-CE2 4.21Å; L266-F291 HydrophobicContact CD1-CD2 4.39Å; L266-F291 HydrophobicContact CD1-CE2 3.77Å; L266-F291 HydrophobicContact CD1-CZ 4.21Å; Q271-F291 HydrophobicContact CG-CZ 4.01Å; L276-F291 HydrophobicContact CD1-CD1 4.32Å; L276-F291 HydrophobicContact CD1-CE1 3.93Å; L276-F291 HydrophobicContact CD1-CZ 4.17Å; F291-V293 HydrophobicContact CD1-CG1 4.11Å; F291-V293 HydrophobicContact CD2-CG1 3.75Å; F291-V293 HydrophobicContact CE1-CG1 3.82Å; F291-V293 HydrophobicContact CE2-CG1 3.43Å; F291-V293 VanDerWaalsContact CE2-CG1 3.43Å; F291-V293 HydrophobicContact CG-CG1 4.07Å; F291-V293 HydrophobicContact CZ-CG1 3.47Å; F291-V293 VanDerWaalsContact CZ-CG1 3.47Å; F291-L334 HydrophobicContact CE1-CD2 4.3Å; F291-F339 HydrophobicContact CE1-CE2 4.24Å; F291-F339 HydrophobicContact CE1-CZ 4.41Å
292	M	98.8	Very high	91.7	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.7	175.5	175.9	-166.8	69.5	0	0	110.4	D53 R215 F261 I262 G263 M264 M267	D53-M292 WeakPolarHBondContact OD2-CG 3.38Å; R215-M292 PolarHBondContact NH1-SD 3.43Å; F261-M292 HydrophobicContact CE2-CB 3.67Å; F261-M292 HydrophobicContact CZ-CB 3.5Å; F261-M292 HydrophobicContact CZ-CE 4.18Å; F261-M292 HydrophobicContact CZ-CG 4.31Å; F261-M292 HydrophobicContact CZ-SD 3.97Å; I262-M292 PolarHBondContact O-N 3.29Å; G263-M292 VanDerWaalsContact C-CE 3.48Å; M264-M292 HydrophobicContact CG-CE 4.1Å; M267-M292 HydrophobicContact CG-CE 4.35Å; M267-M292 HydrophobicContact SD-CE 4.39Å
293	V	98.8	Very high	91.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.3	179.1	-62.4	0	0	0	0	111.3	V50 N51 A52 D53 V76 F291 P295 L334	V50-V293 HydrophobicContact CG1-CG1 4.02Å; V50-V293 HydrophobicContact CG1-CG2 3.68Å; N51-V293 VanDerWaalsContact O-CG2 3.31Å; N51-V293 WeakPolarHBondContact O-CG2 3.49Å; N51-V293 PolarHBondContact O-N 2.77Å; A52-V293 WeakPolarHBondContact CA-O 3.27Å; D53-V293 PolarHBondContact N-O 3.04Å; V76-V293 HydrophobicContact CG1-CG2 3.64Å; F291-V293 HydrophobicContact CD1-CG1 4.11Å; F291-V293 HydrophobicContact CD2-CG1 3.75Å; F291-V293 HydrophobicContact CE1-CG1 3.82Å; F291-V293 HydrophobicContact CE2-CG1 3.43Å; F291-V293 VanDerWaalsContact CE2-CG1 3.43Å; F291-V293 HydrophobicContact CG-CG1 4.07Å; F291-V293 HydrophobicContact CZ-CG1 3.47Å; F291-V293 VanDerWaalsContact CZ-CG1 3.47Å; V293-P295 HydrophobicContact CG2-CG 4.35Å; V293-L334 HydrophobicContact CB-CD1 3.86Å; V293-L334 HydrophobicContact CG1-CD1 4.1Å; V293-L334 HydrophobicContact CG1-CD2 4.2Å; V293-L334 HydrophobicContact CG2-CD1 3.76Å
294	H	98.4	Very high	90.8	Very high	13 Å²	13	60 Å²	60	6%	0.06	29%	0.29	C	S	.	.			trans	-131.6	46.6	-172.2	-63	98.3	0	0	0	112.4	D54 F321 R327 E330	D54-H294 IonicContact OD2-CD2 2.67Å; H294-F321 HydrophobicContact CB-CE1 3.61Å; H294-F321 HydrophobicContact CB-CZ 3.98Å; H294-F321 AromaticContact CD2-CE1 3.88Å; H294-F321 AromaticContact CG-CE1 3.58Å; H294-R327 VanDerWaalsContact CB-CZ 3.48Å; H294-R327 WeakPolarHBondContact O-CA 3.47Å; H294-R327 VanDerWaalsContact O-CB 3.27Å; H294-R327 WeakPolarHBondContact O-CB 3.26Å; H294-R327 WeakPolarHBondContact O-CG 3.19Å; H294-R327 PolarHBondContact O-NE 2.95Å; H294-E330 WeakPolarHBondContact CA-OE2 3.47Å; H294-E330 PolarHBondContact N-OE2 3.23Å
295	P	98.4	Very high	90.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.284	C	S	.	.			trans	-65.6	144.3	-178.2	29.2	-35	0	0	0	111.1	A52 I65 C68 V76 V293 M331 L334	A52-P295 HydrophobicContact CB-CG 3.96Å; I65-P295 HydrophobicContact CG1-CG 4.31Å; I65-P295 WeakPolarHBondContact CG1-O 3.18Å; C68-P295 VanDerWaalsContact SG-CB 3.58Å; V76-P295 HydrophobicContact CG1-CG 3.87Å; V293-P295 HydrophobicContact CG2-CG 4.35Å; P295-M331 HydrophobicContact CB-CB 3.82Å; P295-M331 HydrophobicContact CB-CG 4.3Å; P295-L334 HydrophobicContact CB-CD1 4.01Å; P295-L334 HydrophobicContact CG-CD1 4.07Å
296	G	97.8	Very high	90	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.			trans	162.3	158	174.1	0	0	0	0	0	112.7	R327 E328	G296-R327 PolarHBondContact N-O 3.21Å; G296-R327 CarbonylContact O-C 3.58Å; G296-R327 WeakPolarHBondContact O-CB 2.98Å; G296-E328 PolarHBondContact O-N 2.85Å
297	Y	97.4	Very high	89.4	Confident	65 Å²	65	60.5 Å²	60.5	26%	0.255	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-72.8	140.6	165.7	-64.3	-71.3	0	0	0	110	I60 Q63 T299 E328 M331	I60-Y297 HydrophobicContact CD1-CD2 4.02Å; I60-Y297 HydrophobicContact CD1-CG 4.22Å; I60-Y297 HydrophobicContact CG1-CG 4.44Å; I60-Y297 WeakPolarHBondContact O-CD2 3.36Å; Q63-Y297 HydrophobicContact CB-CD2 4.24Å; Q63-Y297 HydrophobicContact CB-CE2 4.37Å; Q63-Y297 HydrophobicContact CG-CD2 4.34Å; Q63-Y297 HydrophobicContact CG-CE2 4.01Å; Y297-T299 PolarHBondContact O-N 2.9Å; Y297-E328 HydrophobicContact CD1-CG 4.24Å; Y297-M331 HydrophobicContact CD1-CE 4.16Å; Y297-M331 HydrophobicContact CD2-SD 4.5Å; Y297-M331 HydrophobicContact CE1-CE 3.61Å; Y297-M331 HydrophobicContact CE1-SD 4.31Å; Y297-M331 HydrophobicContact CE2-CE 4.44Å; Y297-M331 HydrophobicContact CE2-SD 4.13Å
298	R	94.8	Very high	88.7	Confident	126 Å²	126	53.6 Å²	53.6	48%	0.475	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60	135.7	176.8	60.8	-174.7	164.9	167	-1.6	111.6	S322 E328	R298-S322 CarbonylContact C-O 3.58Å; R298-S322 VanDerWaalsContact CA-O 3.25Å; R298-S322 WeakPolarHBondContact CA-O 3.31Å; R298-E328 IonicContact NE-OE2 3Å; R298-E328 PolarHBondContact NE-OE2 3.41Å
299	T	92.1	Very high	87.9	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.025	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-87.9	130.1	175.6	-54.9	0	0	0	0	108.7	S58 Y297 E310 P318 S322 Q323	S58-T299 PolarHBondContact OG-OG1 2.94Å; Y297-T299 PolarHBondContact O-N 2.9Å; T299-E310 HydrophobicContact CG2-CB 3.57Å; T299-E310 HydrophobicContact CG2-CG 4.12Å; T299-P318 HydrophobicContact CG2-CB 3.86Å; T299-P318 HydrophobicContact CG2-CG 3.93Å; T299-S322 WeakPolarHBondContact CB-OG 3.2Å; T299-S322 PolarHBondContact N-O 3.11Å; T299-S322 PolarHBondContact OG1-OG 3.09Å; T299-Q323 VanDerWaalsContact O-CG 3.25Å; T299-Q323 WeakPolarHBondContact O-CG 3.23Å
300	K	87.2	Confident	87.3	Confident	165 Å²	165	61.8 Å²	61.8	72%	0.717	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-83.8	128.2	179.2	-67.6	-178.5	-179.7	176.5	0	110
301	K	84.7	Confident	86.8	Confident	99 Å²	99	61.9 Å²	61.9	43%	0.43	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-75.3	132	166.6	-171.6	163.1	176.5	161.2	0	109.6	D316 P318 Q323	K301-D316 VanDerWaalsContact CE-O 3.27Å; K301-D316 WeakPolarHBondContact CE-O 3.42Å; K301-D316 PolarHBondContact NZ-O 3.31Å; K301-P318 HydrophobicContact CB-CG 3.92Å; K301-Q323 VanDerWaalsContact CB-OE1 3.3Å
302	H	80	Confident	86.3	Confident	95 Å²	95	61.9 Å²	61.9	44%	0.44	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-81.9	144.8	176.4	-71.7	-87.8	0	0	0	110.4	N304 N307 N308	H302-N304 PolarHBondContact O-N 3.11Å; H302-N307 HydrophobicContact CB-CB 3.7Å; H302-N307 PolarHBondContact CD2-O 3.14Å; H302-N308 WeakPolarHBondContact CA-OD1 3.36Å; H302-N308 WeakPolarHBondContact CB-OD1 3.46Å; H302-N308 PolarHBondContact N-OD1 2.9Å; H302-N308 PolarHBondContact O-OD1 2.78Å
303	T	77.6	Confident	84.8	Confident	158 Å²	158	61.9 Å²	61.9	97%	0.969	31%	0.307	S	S	*	.	S	Bend	trans	-67.2	-26.7	176.5	49.8	0	0	0	0	112.6
304	N	75.7	Confident	83.2	Confident	84 Å²	84	65.1 Å²	65.1	45%	0.449	32%	0.324	S	S	.	.	S	Bend	trans	-94.5	119.5	171.6	-174.8	2.8	0	0	0	109.4	H302 S306 N307	H302-N304 PolarHBondContact O-N 3.11Å; N304-S306 VanDerWaalsContact CG-OG 3.3Å; N304-S306 PolarHBondContact ND2-OG 3.25Å; N304-S306 PolarHBondContact O-N 3.46Å; N304-S306 PolarHBondContact OD1-N 3.3Å; N304-S306 PolarHBondContact OD1-OG 3.01Å; N304-N307 WeakPolarHBondContact O-CB 3.49Å; N304-N307 PolarHBondContact O-N 3.21Å
305	E	69.1	Low	81.7	Confident	135 Å²	135	66.4 Å²	66.4	63%	0.631	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-57	-32.9	-178.9	-66.9	-178.4	174.3	0	0	112.8	N307 N308	E305-N307 PolarHBondContact O-N 2.62Å; E305-N308 WeakPolarHBondContact O-CB 3.45Å; E305-N308 PolarHBondContact O-N 2.96Å
306	S	72.3	Confident	80.9	Confident	74 Å²	74	70.7 Å²	70.7	52%	0.517	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-62.5	-16.3	177.6	72.8	0	0	0	0	113.9	N304	N304-S306 VanDerWaalsContact CG-OG 3.3Å; N304-S306 PolarHBondContact ND2-OG 3.25Å; N304-S306 PolarHBondContact O-N 3.46Å; N304-S306 PolarHBondContact OD1-N 3.3Å; N304-S306 PolarHBondContact OD1-OG 3.01Å
307	N	71.5	Confident	80.2	Confident	80 Å²	80	70.8 Å²	70.8	43%	0.428	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-103.2	1.5	-179.9	-63.4	-13.8	0	0	0	112.4	H302 N304 E305 L309	H302-N307 HydrophobicContact CB-CB 3.7Å; H302-N307 PolarHBondContact CD2-O 3.14Å; N304-N307 WeakPolarHBondContact O-CB 3.49Å; N304-N307 PolarHBondContact O-N 3.21Å; E305-N307 PolarHBondContact O-N 2.62Å; N307-L309 PolarHBondContact O-N 3.3Å
308	N	76.8	Confident	79.9	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.016	35%	0.346	C	S	.	.			trans	-79	59.8	174.4	-74.5	-22.3	0	0	0	110.7	H302 E305 G313 P315	H302-N308 WeakPolarHBondContact CA-OD1 3.36Å; H302-N308 WeakPolarHBondContact CB-OD1 3.46Å; H302-N308 PolarHBondContact N-OD1 2.9Å; H302-N308 PolarHBondContact O-OD1 2.78Å; E305-N308 WeakPolarHBondContact O-CB 3.45Å; E305-N308 PolarHBondContact O-N 2.96Å; N308-G313 VanDerWaalsContact O-O 3.1Å; N308-P315 PolarHBondContact ND2-O 3.17Å
309	L	79.1	Confident	79.7	Confident	121 Å²	121	64.1 Å²	64.1	63%	0.634	34%	0.336	S	S	*	.			trans	-88.5	-11.4	-177.1	-59.2	178.5	0	0	0	113.2	A86 N307	A86-L309 VanDerWaalsContact CB-O 3.22Å; A86-L309 WeakPolarHBondContact CB-O 3.33Å; N307-L309 PolarHBondContact O-N 3.3Å
310	E	85.6	Confident	79.6	Confident	73 Å²	73	71 Å²	71	34%	0.341	37%	0.371	S	S	.	.	S	Bend	trans	-87.6	153.7	179.1	-63	-68.6	165.2	0	0	111.7	S58 T299	S58-E310 WeakPolarHBondContact CA-OE2 3.16Å; S58-E310 WeakPolarHBondContact CB-OE2 3.48Å; T299-E310 HydrophobicContact CG2-CB 3.57Å; T299-E310 HydrophobicContact CG2-CG 4.12Å
311	G	88.7	Confident	79.8	Confident	1 Å²	1	65 Å²	65	1%	0.01	35%	0.346	C	S	.	.	S	Bend	trans	84.4	-159.5	-175.9	0	0	0	0	0	113.9	Y57 G85 A86	Y57-G311 WeakPolarHBondContact O-CA 3.3Å; Y57-G311 PolarHBondContact O-N 2.93Å; G85-G311 CarbonylContact C-O 3.47Å; A86-G311 PolarHBondContact N-O 3.32Å
312	C	87	Confident	80.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-87	-25.7	176.2	-60.6	0	0	0	0	111.7	K89 E124 G125	K89-C312 PolarHBondContact NZ-O 3.13Å; K89-C312 VanDerWaalsContact NZ-O 3.16Å; E124-C312 HydrophobicContact CB-CB 3.97Å; E124-C312 HydrophobicContact CG-CB 3.77Å; E124-C312 WeakPolarHBondContact O-CB 3.38Å; G125-C312 WeakPolarHBondContact CA-O 3.49Å
313	G	67.8	Low	80.8	Confident	4 Å²	4	58.9 Å²	58.9	4%	0.041	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-89.6	115	-170.9	0	0	0	0	0	115.2	N308 G317	N308-G313 VanDerWaalsContact O-O 3.1Å; G313-G317 VanDerWaalsContact O-CA 3.32Å; G313-G317 WeakPolarHBondContact O-CA 3.4Å; G313-G317 PolarHBondContact O-N 2.98Å
314	D	64.9	Low	81.7	Confident	68 Å²	68	52.7 Å²	52.7	36%	0.364	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	112.7	148.6	157.5	32.2	0	0	0	105.7	K126	K126-D314 WeakPolarHBondContact CE-O 3.39Å; K126-D314 PolarHBondContact NZ-O 3.46Å; K126-D314 IonicContact NZ-OD2 2.71Å; K126-D314 PolarHBondContact NZ-OD2 2.91Å
315	P	68.3	Low	82.7	Confident	40 Å²	40	52 Å²	52	26%	0.26	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	cis	-99.7	-4.7	16.1	37.4	-35.7	0	0	0	115.9	N308 G317	N308-P315 PolarHBondContact ND2-O 3.17Å; P315-G317 PolarHBondContact O-N 2.8Å; P315-G317 VanDerWaalsContact O-N 3.13Å
316	D	79.7	Confident	84	Confident	89 Å²	89	47.4 Å²	47.4	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.1	-167.5	-67.1	-36	0	0	0	114	K301	K301-D316 VanDerWaalsContact CE-O 3.27Å; K301-D316 WeakPolarHBondContact CE-O 3.42Å; K301-D316 PolarHBondContact NZ-O 3.31Å
317	G	84.7	Confident	85.2	Confident	2 Å²	2	44 Å²	44	2%	0.021	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	69.7	-158.9	-177.2	0	0	0	0	0	113.3	G313 P315	G313-G317 VanDerWaalsContact O-CA 3.32Å; G313-G317 WeakPolarHBondContact O-CA 3.4Å; G313-G317 PolarHBondContact O-N 2.98Å; P315-G317 PolarHBondContact O-N 2.8Å; P315-G317 VanDerWaalsContact O-N 3.13Å
318	P	90.3	Very high	86.4	Confident	3 Å²	3	42 Å²	42	2%	0.019	23%	0.227	C	C	.	.	S	Bend	trans	-67.6	141.7	-179.3	28.4	-35.6	0	0	0	111.7	Y57 T299 K301 Q323	Y57-P318 HydrophobicContact CE1-CB 4.02Å; Y57-P318 VanDerWaalsContact OH-CA 3.23Å; Y57-P318 WeakPolarHBondContact OH-CA 3.47Å; T299-P318 HydrophobicContact CG2-CB 3.86Å; T299-P318 HydrophobicContact CG2-CG 3.93Å; K301-P318 HydrophobicContact CB-CG 3.92Å; P318-Q323 HydrophobicContact CB-CG 4.38Å; P318-Q323 HydrophobicContact CG-CG 4.16Å; P318-Q323 PolarHBondContact O-NE2 2.87Å
319	D	89.9	Confident	87.5	Confident	49 Å²	49	45.2 Å²	45.2	26%	0.262	24%	0.242	S	C	.	.			trans	-67.7	174	175.7	83.5	-14	0	0	0	112.1	Y57 F321 S322 Q323	Y57-D319 PolarHBondContact OH-N 3.41Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 2.76Å; D319-F321 PolarHBondContact OD1-N 3.07Å; D319-S322 WeakPolarHBondContact O-CB 3.48Å; D319-S322 PolarHBondContact O-N 2.74Å; D319-S322 WeakPolarHBondContact OD1-CA 3.48Å; D319-S322 WeakPolarHBondContact OD1-CB 3.49Å; D319-S322 PolarHBondContact OD1-N 2.59Å; D319-Q323 WeakPolarHBondContact O-CG 3.39Å; D319-Q323 PolarHBondContact O-N 3.04Å; D319-Q323 PolarHBondContact O-NE2 2.78Å
320	L	90.9	Very high	88.4	Confident	148 Å²	148	39.5 Å²	39.5	78%	0.775	21%	0.212	S	C	*	.	H	α-helix	trans	-65.6	-36.8	-177.3	-69	177.6	0	0	0	112.3	Q323 S324	L320-Q323 PolarHBondContact O-N 2.63Å; L320-S324 PolarHBondContact O-N 3.33Å
321	F	91.8	Very high	89	Confident	40 Å²	40	36.2 Å²	36.2	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-72.2	-35.4	-178.5	-172.1	-125.1	0	0	0	111.6	M267 H294 D319 Q323 S324 D326 R327	M267-F321 HydrophobicContact CE-CD1 4.08Å; M267-F321 HydrophobicContact CE-CE1 3.52Å; M267-F321 HydrophobicContact CE-CE2 4.19Å; M267-F321 HydrophobicContact CE-CZ 3.61Å; H294-F321 HydrophobicContact CB-CE1 3.61Å; H294-F321 HydrophobicContact CB-CZ 3.98Å; H294-F321 AromaticContact CD2-CE1 3.88Å; H294-F321 AromaticContact CG-CE1 3.58Å; D319-F321 VanDerWaalsContact C-N 3.33Å; D319-F321 PolarHBondContact O-N 2.76Å; D319-F321 PolarHBondContact OD1-N 3.07Å; F321-Q323 PolarHBondContact O-N 2.93Å; F321-S324 WeakPolarHBondContact O-CB 3.38Å; F321-S324 PolarHBondContact O-N 2.96Å; F321-S324 VanDerWaalsContact O-N 3.08Å; F321-D326 HydrophobicContact CD2-CB 4.42Å; F321-D326 HydrophobicContact CE2-CB 3.69Å; F321-D326 HydrophobicContact CZ-CB 4.45Å; F321-R327 HydrophobicContact CE1-CG 4.37Å; F321-R327 HydrophobicContact CZ-CG 4.38Å
322	S	92.4	Very high	89.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-27.9	169.7	-172.3	0	0	0	0	113.3	Y57 R61 R298 T299 D319	Y57-S322 VanDerWaalsContact CE1-OG 3.26Å; Y57-S322 WeakPolarHBondContact CE1-OG 3.36Å; R61-S322 PolarHBondContact NH2-OG 2.86Å; R298-S322 CarbonylContact C-O 3.58Å; R298-S322 VanDerWaalsContact CA-O 3.25Å; R298-S322 WeakPolarHBondContact CA-O 3.31Å; T299-S322 WeakPolarHBondContact CB-OG 3.2Å; T299-S322 PolarHBondContact N-O 3.11Å; T299-S322 PolarHBondContact OG1-OG 3.09Å; D319-S322 WeakPolarHBondContact O-CB 3.48Å; D319-S322 PolarHBondContact O-N 2.74Å; D319-S322 WeakPolarHBondContact OD1-CA 3.48Å; D319-S322 WeakPolarHBondContact OD1-CB 3.49Å; D319-S322 PolarHBondContact OD1-N 2.59Å
323	Q	93.7	Very high	90	Very high	64 Å²	64	42.9 Å²	42.9	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-89.8	-13	178.8	-69.7	171	83.4	0	0	112.5	T299 K301 P318 D319 L320 F321	T299-Q323 VanDerWaalsContact O-CG 3.25Å; T299-Q323 WeakPolarHBondContact O-CG 3.23Å; K301-Q323 VanDerWaalsContact CB-OE1 3.3Å; P318-Q323 HydrophobicContact CB-CG 4.38Å; P318-Q323 HydrophobicContact CG-CG 4.16Å; P318-Q323 PolarHBondContact O-NE2 2.87Å; D319-Q323 WeakPolarHBondContact O-CG 3.39Å; D319-Q323 PolarHBondContact O-N 3.04Å; D319-Q323 PolarHBondContact O-NE2 2.78Å; L320-Q323 PolarHBondContact O-N 2.63Å; F321-Q323 PolarHBondContact O-N 2.93Å
324	S	94.9	Very high	91.5	Very high	29 Å²	29	42.7 Å²	42.7	20%	0.203	22%	0.224	C	C	.	.	S	Bend	trans	-73.8	147	-176.5	-175.2	0	0	0	0	112.3	L320 F321 D326	L320-S324 PolarHBondContact O-N 3.33Å; F321-S324 WeakPolarHBondContact O-CB 3.38Å; F321-S324 PolarHBondContact O-N 2.96Å; F321-S324 VanDerWaalsContact O-N 3.08Å; S324-D326 PolarHBondContact O-N 2.89Å; S324-D326 VanDerWaalsContact OG-CB 3.29Å; S324-D326 WeakPolarHBondContact OG-CB 3.21Å; S324-D326 PolarHBondContact OG-N 3.2Å; S324-D326 PolarHBondContact OG-OD2 3.42Å
325	S	96.3	Very high	93.1	Very high	69 Å²	69	41.3 Å²	41.3	48%	0.483	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.5	166.7	52.7	0	0	0	0	113	R327 E328 H329	S325-R327 VanDerWaalsContact C-N 3.27Å; S325-R327 PolarHBondContact O-N 3.43Å; S325-E328 WeakPolarHBondContact O-CB 3.25Å; S325-E328 PolarHBondContact O-N 2.87Å; S325-E328 VanDerWaalsContact O-N 3.13Å; S325-H329 PolarHBondContact O-N 3.22Å
326	D	96.6	Very high	94.5	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-38.5	176.8	-76.8	-40	0	0	0	112.7	G268 K269 F321 S324 E328 H329 E330	G268-D326 VanDerWaalsContact CA-CB 3.46Å; K269-D326 PolarHBondContact N-OD1 2.99Å; F321-D326 HydrophobicContact CD2-CB 4.42Å; F321-D326 HydrophobicContact CE2-CB 3.69Å; F321-D326 HydrophobicContact CZ-CB 4.45Å; S324-D326 PolarHBondContact O-N 2.89Å; S324-D326 VanDerWaalsContact OG-CB 3.29Å; S324-D326 WeakPolarHBondContact OG-CB 3.21Å; S324-D326 PolarHBondContact OG-N 3.2Å; S324-D326 PolarHBondContact OG-OD2 3.42Å; D326-E328 VanDerWaalsContact C-N 3.32Å; D326-E328 PolarHBondContact O-N 2.99Å; D326-H329 WeakPolarHBondContact O-CB 3.23Å; D326-H329 PolarHBondContact O-N 2.97Å; D326-E330 WeakPolarHBondContact O-CG 3.49Å; D326-E330 PolarHBondContact O-N 3.2Å
327	R	97.6	Very high	95.4	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-34.9	177.1	-58.4	-164.4	91.1	93.6	-10.1	112.7	D54 H294 G296 F321 S325 M331	D54-R327 IonicContact OD2-CZ 3.38Å; D54-R327 IonicContact OD2-NH1 3.73Å; D54-R327 PolarHBondContact OD2-NH1 3.41Å; D54-R327 IonicContact OD2-NH2 3.34Å; D54-R327 PolarHBondContact OD2-NH2 2.98Å; H294-R327 VanDerWaalsContact CB-CZ 3.48Å; H294-R327 WeakPolarHBondContact O-CA 3.47Å; H294-R327 VanDerWaalsContact O-CB 3.27Å; H294-R327 WeakPolarHBondContact O-CB 3.26Å; H294-R327 WeakPolarHBondContact O-CG 3.19Å; H294-R327 PolarHBondContact O-NE 2.95Å; G296-R327 PolarHBondContact N-O 3.21Å; G296-R327 CarbonylContact O-C 3.58Å; G296-R327 WeakPolarHBondContact O-CB 2.98Å; F321-R327 HydrophobicContact CE1-CG 4.37Å; F321-R327 HydrophobicContact CZ-CG 4.38Å; S325-R327 VanDerWaalsContact C-N 3.27Å; S325-R327 PolarHBondContact O-N 3.43Å; R327-M331 WeakPolarHBondContact O-CB 3.44Å; R327-M331 PolarHBondContact O-N 3.27Å
328	E	98.3	Very high	96	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-41.8	174.4	-66.6	174.4	128.4	0	0	109.7	G296 Y297 R298 S325 D326 M331 F332	G296-E328 PolarHBondContact O-N 2.85Å; Y297-E328 HydrophobicContact CD1-CG 4.24Å; R298-E328 IonicContact NE-OE2 3Å; R298-E328 PolarHBondContact NE-OE2 3.41Å; S325-E328 WeakPolarHBondContact O-CB 3.25Å; S325-E328 PolarHBondContact O-N 2.87Å; S325-E328 VanDerWaalsContact O-N 3.13Å; D326-E328 VanDerWaalsContact C-N 3.32Å; D326-E328 PolarHBondContact O-N 2.99Å; E328-M331 PolarHBondContact O-N 3.02Å; E328-F332 HydrophobicContact CB-CD2 4.42Å; E328-F332 HydrophobicContact CB-CE2 4.01Å; E328-F332 WeakPolarHBondContact O-CD2 3.27Å; E328-F332 WeakPolarHBondContact O-CG 3.19Å; E328-F332 PolarHBondContact O-N 2.92Å
329	H	98.2	Very high	96.4	Very high	70 Å²	70	46.4 Å²	46.4	32%	0.324	24%	0.24	S	C	.	.	H	α-helix	trans	-56.3	-51	173.2	174.6	94.2	0	0	0	111.6	G268 Q271 S325 D326 M331 F332 F333	G268-H329 PolarHBondContact O-CD2 2.97Å; Q271-H329 PolarHBondContact O-NE2 3.16Å; S325-H329 PolarHBondContact O-N 3.22Å; D326-H329 WeakPolarHBondContact O-CB 3.23Å; D326-H329 PolarHBondContact O-N 2.97Å; H329-M331 VanDerWaalsContact C-N 3.35Å; H329-M331 PolarHBondContact O-N 3.16Å; H329-F332 PolarHBondContact O-N 3.43Å; H329-F333 WeakPolarHBondContact O-CB 3.36Å; H329-F333 PolarHBondContact O-N 3.39Å
330	E	98.4	Very high	96.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-44	178.1	-70.8	-173.2	-136.1	0	0	111.9	G268 Q271 H294 D326 F332 F333 L334	G268-E330 WeakPolarHBondContact CA-OE1 3.47Å; G268-E330 PolarHBondContact N-OE1 3.18Å; Q271-E330 HydrophobicContact CB-CG 4.18Å; Q271-E330 PolarHBondContact NE2-O 3.35Å; Q271-E330 PolarHBondContact OE1-OE2 3.03Å; H294-E330 WeakPolarHBondContact CA-OE2 3.47Å; H294-E330 PolarHBondContact N-OE2 3.23Å; D326-E330 WeakPolarHBondContact O-CG 3.49Å; D326-E330 PolarHBondContact O-N 3.2Å; E330-F332 PolarHBondContact O-N 3.05Å; E330-F333 PolarHBondContact O-N 3.25Å; E330-L334 WeakPolarHBondContact O-CB 3.44Å; E330-L334 WeakPolarHBondContact O-CD1 3.21Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 3.24Å
331	M	98.5	Very high	97.1	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.02	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-45.8	176.3	-176.8	-168.7	67.6	0	0	112	G64 P295 Y297 R327 E328 H329 L334 T335	G64-M331 WeakPolarHBondContact CA-SD 3.43Å; P295-M331 HydrophobicContact CB-CB 3.82Å; P295-M331 HydrophobicContact CB-CG 4.3Å; Y297-M331 HydrophobicContact CD1-CE 4.16Å; Y297-M331 HydrophobicContact CD2-SD 4.5Å; Y297-M331 HydrophobicContact CE1-CE 3.61Å; Y297-M331 HydrophobicContact CE1-SD 4.31Å; Y297-M331 HydrophobicContact CE2-CE 4.44Å; Y297-M331 HydrophobicContact CE2-SD 4.13Å; R327-M331 WeakPolarHBondContact O-CB 3.44Å; R327-M331 PolarHBondContact O-N 3.27Å; E328-M331 PolarHBondContact O-N 3.02Å; H329-M331 VanDerWaalsContact C-N 3.35Å; H329-M331 PolarHBondContact O-N 3.16Å; M331-L334 PolarHBondContact O-N 2.79Å; M331-T335 WeakPolarHBondContact O-CB 3.28Å; M331-T335 WeakPolarHBondContact O-CG2 3.4Å; M331-T335 PolarHBondContact O-N 3.34Å; M331-T335 VanDerWaalsContact O-N 3.11Å; M331-T335 PolarHBondContact O-OG1 3.1Å
332	F	98.4	Very high	97.4	Very high	121 Å²	121	41.3 Å²	41.3	53%	0.531	21%	0.213	S	C	.	.	H	α-helix	trans	-67.4	-39.1	177.7	-66	-48.9	0	0	0	112.2	E328 H329 E330 T335 S336	E328-F332 HydrophobicContact CB-CD2 4.42Å; E328-F332 HydrophobicContact CB-CE2 4.01Å; E328-F332 WeakPolarHBondContact O-CD2 3.27Å; E328-F332 WeakPolarHBondContact O-CG 3.19Å; E328-F332 PolarHBondContact O-N 2.92Å; H329-F332 PolarHBondContact O-N 3.43Å; E330-F332 PolarHBondContact O-N 3.05Å; F332-T335 PolarHBondContact O-N 2.98Å; F332-T335 PolarHBondContact O-OG1 2.79Å; F332-S336 WeakPolarHBondContact O-CB 3.27Å; F332-S336 PolarHBondContact O-N 3.41Å; F332-S336 VanDerWaalsContact O-N 3.13Å
333	F	98.6	Very high	97.5	Very high	21 Å²	21	41.6 Å²	41.6	9%	0.092	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-50.4	173	174.1	-86.7	0	0	0	111.3	Q271 I273 L276 H329 E330 T335 S336 F339	Q271-F333 HydrophobicContact CG-CD1 3.69Å; Q271-F333 HydrophobicContact CG-CE1 3.83Å; Q271-F333 HydrophobicContact CG-CG 4.05Å; Q271-F333 HydrophobicContact CG-CZ 4.34Å; Q271-F333 VanDerWaalsContact O-CD2 3.31Å; Q271-F333 WeakPolarHBondContact O-CD2 3.28Å; I273-F333 HydrophobicContact CD1-CE2 3.73Å; I273-F333 HydrophobicContact CD1-CZ 3.8Å; I273-F333 HydrophobicContact CG1-CE2 3.99Å; L276-F333 HydrophobicContact CD2-CE1 4.29Å; L276-F333 HydrophobicContact CD2-CZ 3.9Å; H329-F333 WeakPolarHBondContact O-CB 3.36Å; H329-F333 PolarHBondContact O-N 3.39Å; E330-F333 PolarHBondContact O-N 3.25Å; F333-T335 PolarHBondContact O-N 3.11Å; F333-S336 VanDerWaalsContact O-CB 3.25Å; F333-S336 WeakPolarHBondContact O-CB 3.23Å; F333-S336 PolarHBondContact O-N 2.95Å; F333-S336 VanDerWaalsContact O-N 3.12Å; F333-S336 PolarHBondContact O-OG 2.72Å; F333-F339 HydrophobicContact CD1-CB 4.49Å; F333-F339 HydrophobicContact CD1-CD2 4.34Å; F333-F339 HydrophobicContact CD1-CG 4.41Å; F333-F339 HydrophobicContact CE1-CB 4.21Å; F333-F339 AromaticContact CE1-CD2 3.46Å; F333-F339 HydrophobicContact CE1-CD2 3.46Å; F333-F339 VanDerWaalsContact CE1-CD2 3.46Å; F333-F339 HydrophobicContact CE1-CE2 4Å; F333-F339 AromaticContact CE1-CG 3.95Å; F333-F339 HydrophobicContact CE1-CG 3.95Å; F333-F339 HydrophobicContact CZ-CB 4.45Å; F333-F339 AromaticContact CZ-CD2 3.87Å; F333-F339 HydrophobicContact CZ-CD2 3.87Å; F333-F339 HydrophobicContact CZ-CG 4.48Å; F333-F339 VanDerWaalsContact O-CB 3.31Å; F333-F339 WeakPolarHBondContact O-CB 3.31Å
334	L	98.7	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-175.7	-69.7	164.4	0	0	0	112.8	V50 G75 V76 F291 V293 P295 E330 M331 F339	V50-L334 HydrophobicContact CG1-CD2 3.9Å; G75-L334 WeakPolarHBondContact CA-O 3.37Å; G75-L334 PolarHBondContact N-O 3.02Å; V76-L334 HydrophobicContact CG1-CD1 3.87Å; F291-L334 HydrophobicContact CE1-CD2 4.3Å; V293-L334 HydrophobicContact CB-CD1 3.86Å; V293-L334 HydrophobicContact CG1-CD1 4.1Å; V293-L334 HydrophobicContact CG1-CD2 4.2Å; V293-L334 HydrophobicContact CG2-CD1 3.76Å; P295-L334 HydrophobicContact CB-CD1 4.01Å; P295-L334 HydrophobicContact CG-CD1 4.07Å; E330-L334 WeakPolarHBondContact O-CB 3.44Å; E330-L334 WeakPolarHBondContact O-CD1 3.21Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 3.24Å; M331-L334 PolarHBondContact O-N 2.79Å; L334-F339 HydrophobicContact CD2-CD1 4.24Å; L334-F339 HydrophobicContact CD2-CE1 3.79Å; L334-F339 HydrophobicContact CD2-CZ 3.96Å; L334-F339 WeakPolarHBondContact O-CD1 3.32Å
335	T	98.4	Very high	97.5	Very high	39 Å²	39	44.4 Å²	44.4	24%	0.239	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.9	178.2	54.5	0	0	0	0	113.6	C68 A71 R74 M331 F332 F333	C68-T335 HydrophobicContact CB-CG2 4.44Å; A71-T335 HydrophobicContact CB-CG2 4.34Å; R74-T335 PolarHBondContact NE-O 2.93Å; M331-T335 WeakPolarHBondContact O-CB 3.28Å; M331-T335 WeakPolarHBondContact O-CG2 3.4Å; M331-T335 PolarHBondContact O-N 3.34Å; M331-T335 VanDerWaalsContact O-N 3.11Å; M331-T335 PolarHBondContact O-OG1 3.1Å; F332-T335 PolarHBondContact O-N 2.98Å; F332-T335 PolarHBondContact O-OG1 2.79Å; F333-T335 PolarHBondContact O-N 3.11Å
336	S	98.3	Very high	97.3	Very high	21 Å²	21	42.9 Å²	42.9	15%	0.147	21%	0.213	C	C	.	.	S	Bend	trans	-75	156.2	-179.3	74.2	0	0	0	0	113.5	R74 F332 F333 E338 F339 K340	R74-S336 WeakPolarHBondContact CD-O 3.2Å; F332-S336 WeakPolarHBondContact O-CB 3.27Å; F332-S336 PolarHBondContact O-N 3.41Å; F332-S336 VanDerWaalsContact O-N 3.13Å; F333-S336 VanDerWaalsContact O-CB 3.25Å; F333-S336 WeakPolarHBondContact O-CB 3.23Å; F333-S336 PolarHBondContact O-N 2.95Å; F333-S336 VanDerWaalsContact O-N 3.12Å; F333-S336 PolarHBondContact O-OG 2.72Å; S336-E338 VanDerWaalsContact C-N 3.29Å; S336-E338 WeakPolarHBondContact CB-OE2 3.28Å; S336-F339 PolarHBondContact OG-N 3.43Å; S336-F339 VanDerWaalsContact OG-N 3.09Å; S336-K340 PolarHBondContact O-N 2.91Å
337	D	98.1	Very high	97.1	Very high	99 Å²	99	44.3 Å²	44.3	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-70.4	-30.1	171.5	-69.5	-29.9	0	0	0	110.7	F339 K340 D341	D337-F339 PolarHBondContact O-N 3.13Å; D337-K340 WeakPolarHBondContact O-CB 3.42Å; D337-K340 PolarHBondContact O-N 3.12Å; D337-D341 WeakPolarHBondContact O-CB 3.44Å; D337-D341 PolarHBondContact O-N 2.85Å
338	E	98	Very high	97	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	23%	0.226	S	C	*	.	H	α-helix	trans	-60.4	-42.3	176.1	-67.5	85.5	168	0	0	112.5	I273 S336 Y342	I273-E338 HydrophobicContact CD1-CB 4.33Å; I273-E338 HydrophobicContact CG1-CB 4.21Å; S336-E338 VanDerWaalsContact C-N 3.29Å; S336-E338 WeakPolarHBondContact CB-OE2 3.28Å; E338-Y342 WeakPolarHBondContact O-CB 3.04Å; E338-Y342 PolarHBondContact O-N 3.41Å
339	F	98.3	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-40.3	176	-179.3	-118.5	0	0	0	111.7	V50 R74 L276 F291 F333 L334 S336 D337 Y342 L343	V50-F339 HydrophobicContact CG2-CZ 4.11Å; R74-F339 HydrophobicContact CB-CD1 4.23Å; L276-F339 HydrophobicContact CD2-CD2 3.89Å; L276-F339 HydrophobicContact CD2-CE2 3.75Å; F291-F339 HydrophobicContact CE1-CE2 4.24Å; F291-F339 HydrophobicContact CE1-CZ 4.41Å; F333-F339 HydrophobicContact CD1-CB 4.49Å; F333-F339 HydrophobicContact CD1-CD2 4.34Å; F333-F339 HydrophobicContact CD1-CG 4.41Å; F333-F339 HydrophobicContact CE1-CB 4.21Å; F333-F339 AromaticContact CE1-CD2 3.46Å; F333-F339 HydrophobicContact CE1-CD2 3.46Å; F333-F339 VanDerWaalsContact CE1-CD2 3.46Å; F333-F339 HydrophobicContact CE1-CE2 4Å; F333-F339 AromaticContact CE1-CG 3.95Å; F333-F339 HydrophobicContact CE1-CG 3.95Å; F333-F339 HydrophobicContact CZ-CB 4.45Å; F333-F339 AromaticContact CZ-CD2 3.87Å; F333-F339 HydrophobicContact CZ-CD2 3.87Å; F333-F339 HydrophobicContact CZ-CG 4.48Å; F333-F339 VanDerWaalsContact O-CB 3.31Å; F333-F339 WeakPolarHBondContact O-CB 3.31Å; L334-F339 HydrophobicContact CD2-CD1 4.24Å; L334-F339 HydrophobicContact CD2-CE1 3.79Å; L334-F339 HydrophobicContact CD2-CZ 3.96Å; L334-F339 WeakPolarHBondContact O-CD1 3.32Å; S336-F339 PolarHBondContact OG-N 3.43Å; S336-F339 VanDerWaalsContact OG-N 3.09Å; D337-F339 PolarHBondContact O-N 3.13Å; F339-Y342 WeakPolarHBondContact O-CB 3.41Å; F339-Y342 PolarHBondContact O-N 3.12Å; F339-L343 HydrophobicContact CD1-CD1 4.14Å; F339-L343 HydrophobicContact CD2-CG 4.49Å; F339-L343 HydrophobicContact CE1-CD1 3.66Å; F339-L343 HydrophobicContact CE1-CG 4.31Å; F339-L343 HydrophobicContact CE2-CD1 4.35Å; F339-L343 HydrophobicContact CE2-CD2 4.07Å; F339-L343 HydrophobicContact CE2-CG 4.13Å; F339-L343 HydrophobicContact CZ-CD1 3.78Å; F339-L343 HydrophobicContact CZ-CD2 4.01Å; F339-L343 HydrophobicContact CZ-CG 4.03Å; F339-L343 WeakPolarHBondContact O-CG 3.46Å; F339-L343 PolarHBondContact O-N 3.45Å
340	K	98.3	Very high	96.8	Very high	52 Å²	52	46.4 Å²	46.4	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-50.8	173.8	-179.7	171.9	176.7	148.9	0	111.8	D73 R74 S336 D337 Y342 L343 M344	D73-K340 HydrophobicContact CB-CD 4.36Å; D73-K340 HydrophobicContact CB-CG 4.49Å; D73-K340 IonicContact OD2-NZ 3.06Å; D73-K340 PolarHBondContact OD2-NZ 3.35Å; R74-K340 HydrophobicContact CB-CB 3.99Å; S336-K340 PolarHBondContact O-N 2.91Å; D337-K340 WeakPolarHBondContact O-CB 3.42Å; D337-K340 PolarHBondContact O-N 3.12Å; K340-Y342 VanDerWaalsContact C-N 3.29Å; K340-Y342 PolarHBondContact O-N 3.21Å; K340-L343 PolarHBondContact O-N 3.38Å; K340-M344 PolarHBondContact O-N 2.98Å
341	D	97.8	Very high	96.7	Very high	78 Å²	78	47.5 Å²	47.5	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-39.9	179.7	-74.2	-13.7	0	0	0	110.7	D337 M344 V345	D337-D341 WeakPolarHBondContact O-CB 3.44Å; D337-D341 PolarHBondContact O-N 2.85Å; D341-M344 PolarHBondContact O-N 3.45Å; D341-V345 WeakPolarHBondContact O-CB 3.18Å; D341-V345 VanDerWaalsContact O-CG2 3.23Å; D341-V345 WeakPolarHBondContact O-CG2 3.44Å; D341-V345 PolarHBondContact O-N 3.32Å
342	Y	97.2	Very high	96.7	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-49.7	175.7	-176.4	-87.1	0	0	0	112	I273 L276 D277 L280 E338 F339 K340 M344 V345 H346 Y348	I273-Y342 HydrophobicContact CD1-CD2 4.37Å; I273-Y342 HydrophobicContact CD1-CG 4.24Å; I273-Y342 HydrophobicContact CG2-CD2 3.89Å; I273-Y342 HydrophobicContact CG2-CE2 4.42Å; L276-Y342 HydrophobicContact CD2-CD1 3.76Å; L276-Y342 HydrophobicContact CD2-CE1 3.84Å; L276-Y342 HydrophobicContact CD2-CG 4.35Å; L276-Y342 HydrophobicContact CG-CD1 4.48Å; L276-Y342 HydrophobicContact CG-CE1 4.08Å; D277-Y342 WeakPolarHBondContact CA-OH 3.37Å; D277-Y342 HydrophobicContact CB-CE2 3.82Å; D277-Y342 WeakPolarHBondContact OD1-CE2 3.22Å; D277-Y342 PolarHBondContact OD1-OH 3.25Å; L280-Y342 HydrophobicContact CD1-CE1 3.68Å; E338-Y342 WeakPolarHBondContact O-CB 3.04Å; E338-Y342 PolarHBondContact O-N 3.41Å; F339-Y342 WeakPolarHBondContact O-CB 3.41Å; F339-Y342 PolarHBondContact O-N 3.12Å; K340-Y342 VanDerWaalsContact C-N 3.29Å; K340-Y342 PolarHBondContact O-N 3.21Å; Y342-M344 VanDerWaalsContact C-N 3.33Å; Y342-M344 PolarHBondContact O-N 3.17Å; Y342-V345 PolarHBondContact O-N 3.49Å; Y342-H346 AromaticContact CD2-CE1 3.51Å; Y342-H346 AromaticContact CD2-ND1 3.62Å; Y342-H346 AromaticContact CE1-ND1 3.92Å; Y342-H346 AromaticContact CE2-CE1 3.16Å; Y342-H346 WeakPolarHBondContact CE2-CE1 3.32Å; Y342-H346 AromaticContact CE2-ND1 3.48Å; Y342-H346 WeakPolarHBondContact CE2-ND1 3.21Å; Y342-H346 AromaticContact CE2-NE2 3.8Å; Y342-H346 AromaticContact CG-ND1 3.89Å; Y342-H346 AromaticContact CZ-CE1 3.64Å; Y342-H346 AromaticContact CZ-CG 3.96Å; Y342-H346 AromaticContact CZ-ND1 3.61Å; Y342-H346 WeakPolarHBondContact O-CB 3.42Å; Y342-H346 PolarHBondContact O-N 3.24Å; Y342-H346 VanDerWaalsContact O-N 3.12Å; Y342-H346 PolarHBondContact O-ND1 3.16Å; Y342-Y348 HydrophobicContact CE1-CD2 4.18Å; Y342-Y348 AromaticContact CE1-CE2 3.81Å; Y342-Y348 HydrophobicContact CE1-CE2 3.81Å
343	L	96	Very high	96.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-45.3	177.8	-67.3	176	0	0	0	111.6	I48 F339 K340 N347 Y348 L350	I48-L343 HydrophobicContact CG2-CD2 4.11Å; F339-L343 HydrophobicContact CD1-CD1 4.14Å; F339-L343 HydrophobicContact CD2-CG 4.49Å; F339-L343 HydrophobicContact CE1-CD1 3.66Å; F339-L343 HydrophobicContact CE1-CG 4.31Å; F339-L343 HydrophobicContact CE2-CD1 4.35Å; F339-L343 HydrophobicContact CE2-CD2 4.07Å; F339-L343 HydrophobicContact CE2-CG 4.13Å; F339-L343 HydrophobicContact CZ-CD1 3.78Å; F339-L343 HydrophobicContact CZ-CD2 4.01Å; F339-L343 HydrophobicContact CZ-CG 4.03Å; F339-L343 WeakPolarHBondContact O-CG 3.46Å; F339-L343 PolarHBondContact O-N 3.45Å; K340-L343 PolarHBondContact O-N 3.38Å; L343-N347 PolarHBondContact O-N 3.34Å; L343-N347 VanDerWaalsContact O-N 3.1Å; L343-Y348 HydrophobicContact CD2-CD2 4.12Å; L343-Y348 HydrophobicContact CD2-CG 4.17Å; L343-Y348 PolarHBondContact O-N 3.36Å; L343-L350 HydrophobicContact CD1-CD1 3.61Å; L343-L350 HydrophobicContact CD1-CD2 4.15Å; L343-L350 HydrophobicContact CD1-CG 3.85Å
344	M	95.1	Very high	96.5	Very high	129 Å²	129	44.2 Å²	44.2	64%	0.635	23%	0.23	S	C	*	.	H	α-helix	trans	-63.8	-48	-179.9	-178.5	-179	60.4	0	0	112.3	K340 D341 Y342 H346 N347	K340-M344 PolarHBondContact O-N 2.98Å; D341-M344 PolarHBondContact O-N 3.45Å; Y342-M344 VanDerWaalsContact C-N 3.33Å; Y342-M344 PolarHBondContact O-N 3.17Å; M344-H346 VanDerWaalsContact C-N 3.31Å; M344-H346 PolarHBondContact O-N 2.88Å; M344-N347 PolarHBondContact O-N 2.8Å
345	V	93.4	Very high	96.3	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-39.6	-178.6	165.6	0	0	0	0	111.8	I33 D341 Y342 N347	I33-V345 HydrophobicContact CB-CG1 4.14Å; I33-V345 HydrophobicContact CB-CG2 4.37Å; I33-V345 HydrophobicContact CG1-CG1 3.96Å; I33-V345 HydrophobicContact CG1-CG2 4.11Å; I33-V345 HydrophobicContact CG2-CB 4.31Å; I33-V345 HydrophobicContact CG2-CG1 3.83Å; I33-V345 HydrophobicContact CG2-CG2 3.46Å; I33-V345 VanDerWaalsContact CG2-CG2 3.46Å; D341-V345 WeakPolarHBondContact O-CB 3.18Å; D341-V345 VanDerWaalsContact O-CG2 3.23Å; D341-V345 WeakPolarHBondContact O-CG2 3.44Å; D341-V345 PolarHBondContact O-N 3.32Å; Y342-V345 PolarHBondContact O-N 3.49Å; V345-N347 VanDerWaalsContact C-N 3.29Å
346	H	92.2	Very high	96	Very high	36 Å²	36	47.8 Å²	47.8	17%	0.167	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.6	-178.3	-63.1	84.3	0	0	0	113	M36 D277 Y342 M344 Y348	M36-H346 WeakPolarHBondContact CE-CD2 3.39Å; M36-H346 WeakPolarHBondContact CE-NE2 3.27Å; D277-H346 IonicContact OD1-CE1 3.99Å; D277-H346 IonicContact OD1-NE2 3.48Å; D277-H346 PolarHBondContact OD1-NE2 3.27Å; Y342-H346 AromaticContact CD2-CE1 3.51Å; Y342-H346 AromaticContact CD2-ND1 3.62Å; Y342-H346 AromaticContact CE1-ND1 3.92Å; Y342-H346 AromaticContact CE2-CE1 3.16Å; Y342-H346 WeakPolarHBondContact CE2-CE1 3.32Å; Y342-H346 AromaticContact CE2-ND1 3.48Å; Y342-H346 WeakPolarHBondContact CE2-ND1 3.21Å; Y342-H346 AromaticContact CE2-NE2 3.8Å; Y342-H346 AromaticContact CG-ND1 3.89Å; Y342-H346 AromaticContact CZ-CE1 3.64Å; Y342-H346 AromaticContact CZ-CG 3.96Å; Y342-H346 AromaticContact CZ-ND1 3.61Å; Y342-H346 WeakPolarHBondContact O-CB 3.42Å; Y342-H346 PolarHBondContact O-N 3.24Å; Y342-H346 VanDerWaalsContact O-N 3.12Å; Y342-H346 PolarHBondContact O-ND1 3.16Å; M344-H346 VanDerWaalsContact C-N 3.31Å; M344-H346 PolarHBondContact O-N 2.88Å; H346-Y348 VanDerWaalsContact C-N 3.3Å; H346-Y348 HydrophobicContact CB-CD2 3.48Å; H346-Y348 VanDerWaalsContact CB-CD2 3.48Å; H346-Y348 HydrophobicContact CB-CE2 3.27Å; H346-Y348 PolarHBondContact O-N 2.83Å
347	N	92.2	Very high	95	Very high	70 Å²	70	51.2 Å²	51.2	37%	0.374	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.8	178.3	-165.2	34.5	0	0	0	113	S45 T46 L343 M344 V345	S45-N347 WeakPolarHBondContact CA-ND2 3.49Å; S45-N347 WeakPolarHBondContact CA-O 3.49Å; S45-N347 WeakPolarHBondContact CB-O 3.28Å; T46-N347 PolarHBondContact N-O 3.42Å; T46-N347 VanDerWaalsContact N-O 3.14Å; L343-N347 PolarHBondContact O-N 3.34Å; L343-N347 VanDerWaalsContact O-N 3.1Å; M344-N347 PolarHBondContact O-N 2.8Å; V345-N347 VanDerWaalsContact C-N 3.29Å
348	Y	95	Very high	94.8	Very high	32 Å²	32	48.9 Å²	48.9	13%	0.125	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.7	171.8	-71.1	-63.3	0	0	0	110.9	T46 I48 L280 I289 Y342 L343 H346	T46-Y348 HydrophobicContact CG2-CD1 3.84Å; T46-Y348 HydrophobicContact CG2-CE1 3.67Å; T46-Y348 CarbonylContact O-C 3.52Å; T46-Y348 WeakPolarHBondContact O-CA 3.39Å; I48-Y348 HydrophobicContact CB-CD1 4.36Å; I48-Y348 HydrophobicContact CG2-CG 4.43Å; L280-Y348 WeakPolarHBondContact CB-OH 3.5Å; L280-Y348 HydrophobicContact CD1-CE2 3.81Å; I289-Y348 HydrophobicContact CD1-CE1 3.9Å; Y342-Y348 HydrophobicContact CE1-CD2 4.18Å; Y342-Y348 AromaticContact CE1-CE2 3.81Å; Y342-Y348 HydrophobicContact CE1-CE2 3.81Å; L343-Y348 HydrophobicContact CD2-CD2 4.12Å; L343-Y348 HydrophobicContact CD2-CG 4.17Å; L343-Y348 PolarHBondContact O-N 3.36Å; H346-Y348 VanDerWaalsContact C-N 3.3Å; H346-Y348 HydrophobicContact CB-CD2 3.48Å; H346-Y348 VanDerWaalsContact CB-CD2 3.48Å; H346-Y348 HydrophobicContact CB-CE2 3.27Å; H346-Y348 PolarHBondContact O-N 2.83Å
349	E	95.6	Very high	94.7	Very high	79 Å²	79	45.1 Å²	45.1	37%	0.369	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.2	176.6	-175.6	-176.3	174.5	0	0	109.7	S45 T46 K47 I48 L351	S45-E349 PolarHBondContact OG-OE2 3.06Å; T46-E349 PolarHBondContact O-N 3.1Å; K47-E349 CarbonylContact C-O 3.57Å; K47-E349 WeakPolarHBondContact CA-O 3.49Å; I48-E349 PolarHBondContact N-O 3.1Å; E349-L351 HydrophobicContact CG-CD2 4.29Å; E349-L351 HydrophobicContact CG-CG 4.16Å; E349-L351 PolarHBondContact O-N 3.01Å
350	L	96.4	Very high	94.5	Very high	43 Å²	43	47.6 Å²	47.6	23%	0.225	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.4	176.3	-77.7	168.1	0	0	0	110.7	I48 V50 L343	I48-L350 HydrophobicContact CG2-CD2 3.89Å; I48-L350 HydrophobicContact CG2-CG 4.33Å; I48-L350 WeakPolarHBondContact O-CA 3.49Å; V50-L350 HydrophobicContact CB-CD2 4.19Å; V50-L350 HydrophobicContact CG2-CD2 3.47Å; V50-L350 VanDerWaalsContact CG2-CD2 3.47Å; L343-L350 HydrophobicContact CD1-CD1 3.61Å; L343-L350 HydrophobicContact CD1-CD2 4.15Å; L343-L350 HydrophobicContact CD1-CG 3.85Å
351	L	96.5	Very high	94.2	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.126	26%	0.258	C	S	.	.			trans	-137.5	163.5	178.8	-68.6	-178.6	0	0	0	111.5	K47 I48 I49 S77 E349 D355 L356	K47-L351 HydrophobicContact CB-CD1 3.92Å; K47-L351 HydrophobicContact CD-CD1 3.54Å; K47-L351 HydrophobicContact CG-CD1 3.59Å; I48-L351 PolarHBondContact O-N 3.33Å; I49-L351 WeakPolarHBondContact CA-O 3.37Å; I49-L351 WeakPolarHBondContact CG1-O 3.46Å; S77-L351 WeakPolarHBondContact CB-O 3.47Å; S77-L351 PolarHBondContact OG-O 2.87Å; E349-L351 HydrophobicContact CG-CD2 4.29Å; E349-L351 HydrophobicContact CG-CG 4.16Å; E349-L351 PolarHBondContact O-N 3.01Å; L351-D355 HydrophobicContact CB-CB 4.12Å; L351-D355 HydrophobicContact CD1-CB 4.41Å; L351-D355 HydrophobicContact CD2-CB 3.97Å; L351-D355 HydrophobicContact CG-CB 4.4Å; L351-L356 HydrophobicContact CD1-CD2 4.17Å
352	T	97.7	Very high	94	Very high	21 Å²	21	45.4 Å²	45.4	13%	0.129	25%	0.248	C	C	.	.			trans	-92.8	166.7	169.6	72	0	0	0	0	111	S77 D78 S354 D355	S77-T352 VanDerWaalsContact O-CG2 3.31Å; S77-T352 WeakPolarHBondContact O-CG2 3.3Å; D78-T352 WeakPolarHBondContact OD2-CB 3.42Å; T352-S354 PolarHBondContact O-N 3.2Å; T352-S354 WeakPolarHBondContact OG1-CB 3.31Å; T352-S354 PolarHBondContact OG1-N 3.15Å; T352-D355 WeakPolarHBondContact CB-OD2 3.15Å; T352-D355 WeakPolarHBondContact CG2-OD2 3.49Å; T352-D355 PolarHBondContact N-OD2 3.02Å; T352-D355 PolarHBondContact O-N 3.45Å; T352-D355 PolarHBondContact OG1-N 3.01Å; T352-D355 PolarHBondContact OG1-OD2 2.99Å
353	F	97.8	Very high	93.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.8	169.2	-80.5	-80.8	0	0	0	112.7	I49 D78 H185 W213 T258 E290 D355 L356 S357	I49-F353 HydrophobicContact CD1-CD1 3.63Å; I49-F353 HydrophobicContact CD1-CD2 3.97Å; I49-F353 HydrophobicContact CD1-CE1 3.74Å; I49-F353 HydrophobicContact CD1-CE2 4.07Å; I49-F353 HydrophobicContact CD1-CG 3.77Å; I49-F353 HydrophobicContact CD1-CZ 3.97Å; I49-F353 HydrophobicContact CG2-CD2 3.85Å; I49-F353 HydrophobicContact CG2-CE2 3.76Å; I49-F353 HydrophobicContact CG2-CZ 4.49Å; D78-F353 HydrophobicContact CB-CD2 4.49Å; D78-F353 PolarHBondContact OD2-N 3.27Å; H185-F353 HydrophobicContact CB-CB 3.84Å; H185-F353 HydrophobicContact CB-CD1 3.91Å; H185-F353 HydrophobicContact CB-CD2 3.71Å; H185-F353 HydrophobicContact CB-CE1 4.35Å; H185-F353 HydrophobicContact CB-CE2 4.16Å; H185-F353 HydrophobicContact CB-CG 3.55Å; H185-F353 HydrophobicContact CB-CZ 4.45Å; H185-F353 AromaticContact CD2-CD2 3.49Å; H185-F353 VanDerWaalsContact CD2-CD2 3.49Å; H185-F353 WeakPolarHBondContact CD2-CD2 3.28Å; H185-F353 AromaticContact CD2-CE2 3.42Å; H185-F353 VanDerWaalsContact CD2-CE2 3.42Å; H185-F353 WeakPolarHBondContact CD2-CE2 3.48Å; H185-F353 AromaticContact CE1-CD2 3.57Å; H185-F353 AromaticContact CG-CD2 3.24Å; H185-F353 AromaticContact CG-CE2 3.65Å; H185-F353 AromaticContact CG-CG 3.63Å; H185-F353 AromaticContact ND1-CD2 3.31Å; H185-F353 VanDerWaalsContact ND1-CD2 3.31Å; H185-F353 WeakPolarHBondContact ND1-CD2 3.44Å; H185-F353 AromaticContact ND1-CG 3.81Å; H185-F353 AromaticContact NE2-CD2 3.73Å; H185-F353 AromaticContact NE2-CE2 3.75Å; W213-F353 HydrophobicContact CB-CD1 3.63Å; W213-F353 HydrophobicContact CB-CE1 4.14Å; W213-F353 HydrophobicContact CB-CG 4.39Å; W213-F353 AromaticContact CD2-CD1 3.87Å; W213-F353 HydrophobicContact CD2-CD1 3.87Å; W213-F353 HydrophobicContact CD2-CE1 4.45Å; W213-F353 AromaticContact CE3-CD1 3.94Å; W213-F353 HydrophobicContact CE3-CD1 3.94Å; W213-F353 HydrophobicContact CE3-CE1 4.09Å; W213-F353 AromaticContact CG-CD1 3.75Å; W213-F353 HydrophobicContact CG-CD1 3.75Å; W213-F353 HydrophobicContact CG-CE1 4.5Å; T258-F353 HydrophobicContact CG2-CE1 4.15Å; E290-F353 HydrophobicContact CG-CZ 4.23Å; F353-D355 VanDerWaalsContact C-N 3.34Å; F353-L356 PolarHBondContact O-N 3.21Å; F353-S357 PolarHBondContact O-OG 3Å
354	S	95.4	Very high	93.6	Very high	55 Å²	55	51.5 Å²	51.5	39%	0.385	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-34.6	176.6	-60.7	0	0	0	0	111.8	T352 L356 S357	T352-S354 PolarHBondContact O-N 3.2Å; T352-S354 WeakPolarHBondContact OG1-CB 3.31Å; T352-S354 PolarHBondContact OG1-N 3.15Å; S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 2.71Å; S354-S357 WeakPolarHBondContact O-CB 3.42Å; S354-S357 PolarHBondContact O-N 3.31Å
355	D	95	Very high	93.5	Very high	90 Å²	90	45.5 Å²	45.5	48%	0.481	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.1	179.1	-57	-50.8	0	0	0	113.3	L351 T352 F353 S357	L351-D355 HydrophobicContact CB-CB 4.12Å; L351-D355 HydrophobicContact CD1-CB 4.41Å; L351-D355 HydrophobicContact CD2-CB 3.97Å; L351-D355 HydrophobicContact CG-CB 4.4Å; T352-D355 WeakPolarHBondContact CB-OD2 3.15Å; T352-D355 WeakPolarHBondContact CG2-OD2 3.49Å; T352-D355 PolarHBondContact N-OD2 3.02Å; T352-D355 PolarHBondContact O-N 3.45Å; T352-D355 PolarHBondContact OG1-N 3.01Å; T352-D355 PolarHBondContact OG1-OD2 2.99Å; F353-D355 VanDerWaalsContact C-N 3.34Å; D355-S357 VanDerWaalsContact C-N 3.33Å
356	L	91.5	Very high	93.5	Very high	25 Å²	25	47.3 Å²	47.3	13%	0.131	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.5	175.3	-63.6	-168	0	0	0	113.8	K47 I49 W213 N288 L351 F353 S354	K47-L356 HydrophobicContact CB-CD2 4.26Å; K47-L356 HydrophobicContact CD-CD2 3.63Å; I49-L356 HydrophobicContact CD1-CD1 3.39Å; I49-L356 HydrophobicContact CD1-CG 4.02Å; I49-L356 HydrophobicContact CG1-CD1 4.38Å; W213-L356 HydrophobicContact CH2-CB 3.82Å; W213-L356 HydrophobicContact CH2-CD1 3.64Å; W213-L356 HydrophobicContact CH2-CG 4.41Å; W213-L356 HydrophobicContact CZ2-CB 3.36Å; W213-L356 HydrophobicContact CZ2-CD1 4.02Å; W213-L356 HydrophobicContact CZ2-CG 4.37Å; W213-L356 HydrophobicContact CZ3-CD1 3.91Å; N288-L356 HydrophobicContact CB-CD1 4.09Å; N288-L356 HydrophobicContact CB-CD2 4.46Å; L351-L356 HydrophobicContact CD1-CD2 4.17Å; F353-L356 PolarHBondContact O-N 3.21Å; S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 2.71Å
357	S	77.2	Confident	93.7	Very high	93 Å²	93	48.4 Å²	48.4	65%	0.65	27%	0.272	S	S	*	.			trans	-77.2	0	-161.8	-73.6	0	0	0	0	116	W213 K256 F353 S354 D355	W213-S357 PolarHBondContact NE1-OG 3.28Å; K256-S357 PolarHBondContact NZ-OXT 2.87Å; F353-S357 PolarHBondContact O-OG 3Å; S354-S357 WeakPolarHBondContact O-CB 3.42Å; S354-S357 PolarHBondContact O-N 3.31Å; D355-S357 VanDerWaalsContact C-N 3.33Å

Retrieved 357 of 357 residues in 596.4 ms (Link to these results)

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