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CMP-N-acetylneuraminate-poly-alpha-2,8-sialyltransferase

Catalyzes the transfer of a sialic acid from a CMP-linked sialic acid donor onto a terminal alpha-2,3-, alpha-2,6-, or alpha-2,8-linked sialic acid of an N-linked glycan protein acceptor through alpha-2,8-linkages. Therefore, participates in polysialic acid synthesis on various sialylated N-acetyllactosaminyl oligosaccharides, including NCAM1 N-glycans, FETUB N-glycans and AHSG. It is noteworthy that alpha-2,3-linked sialic acid is apparently a better acceptor than alpha-2,6-linked sialic acid.

AlphaFold DB , UniProt , Accession G7MVH5, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ST8SIA4, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	48.2	Very low	46.1	Very low	245 Å²	245	165.5 Å²	165.5	100%	1.207	76%	0.761	S	S	*	*				0	66.9	0	-71.2	160.3	58.1	0	0	112.8
2	R	47	Very low	46.7	Very low	250 Å²	250	157.5 Å²	157.5	94%	0.943	73%	0.733	S	S	*	*			trans	-140.6	5.5	177.7	-113.9	178.6	-177.6	-178.7	0.9	116.3
3	S	47.8	Very low	47.3	Very low	106 Å²	106	152.7 Å²	152.7	74%	0.741	71%	0.714	S	S	*	*	S	Bend	trans	-101.9	-17.6	-178.9	-165	0	0	0	0	114.7
4	I	46.4	Very low	47.8	Very low	142 Å²	142	146.1 Å²	146.1	73%	0.728	69%	0.694	S	S	*	*	S	Bend	trans	-86.9	-20.1	-172.5	-62.9	170.8	0	0	0	113.2
5	R	45.2	Very low	48	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	68%	0.684	S	S	*	*	H	α-helix	trans	-80.2	-16.8	-177.9	-99.2	-178.5	178.7	171.1	0.1	115.6	T9	R5-T9 PolarHBondContact O-OG1 3.36Å; R5-T9 VanDerWaalsContact O-OG1 3.07Å
6	K	44.2	Very low	48.1	Very low	166 Å²	166	142.2 Å²	142.2	72%	0.722	68%	0.682	S	S	*	*	H	α-helix	trans	-84.7	-21.2	-179.8	-81	-174	175.7	-176.8	0	114.1	I10	K6-I10 WeakPolarHBondContact O-CG1 3.33Å
7	R	42.6	Very low	48.1	Very low	213 Å²	213	140.3 Å²	140.3	80%	0.804	68%	0.676	S	S	*	*	H	α-helix	trans	-77.4	-31.2	180	-116.8	178.7	179.7	-165.8	-0.3	113	C11	R7-C11 PolarHBondContact O-N 3.3Å
8	W	41.2	Very low	48.5	Very low	197 Å²	197	138.2 Å²	138.2	75%	0.746	67%	0.667	S	S	*	*	H	α-helix	trans	-74.8	-37.2	179.8	-78.1	64.6	0	0	0	112.6	I10 C11 T12	W8-I10 VanDerWaalsContact C-N 3.33Å; W8-I10 PolarHBondContact O-N 2.93Å; W8-C11 PolarHBondContact O-N 3.27Å; W8-T12 WeakPolarHBondContact O-CG2 3.36Å; W8-T12 PolarHBondContact O-N 3.13Å; W8-T12 VanDerWaalsContact O-N 3.14Å; W8-T12 PolarHBondContact O-OG1 2.98Å
9	T	48.4	Very low	48.4	Very low	78 Å²	78	138.8 Å²	138.8	48%	0.479	67%	0.667	S	S	.	*	H	α-helix	trans	-67.9	-31.5	179.9	-25	0	0	0	0	112.9	R5 T12 I13	R5-T9 PolarHBondContact O-OG1 3.36Å; R5-T9 VanDerWaalsContact O-OG1 3.07Å; T9-T12 WeakPolarHBondContact CA-OG1 3.3Å; T9-T12 PolarHBondContact O-OG1 3.29Å; T9-I13 WeakPolarHBondContact O-CD1 3.44Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.35Å
10	I	49.1	Very low	48.1	Very low	115 Å²	115	139.8 Å²	139.8	59%	0.59	66%	0.664	S	S	*	*	H	α-helix	trans	-76.4	-38.7	179	-61.7	171.3	0	0	0	110.6	K6 W8 I13 S14	K6-I10 WeakPolarHBondContact O-CG1 3.33Å; W8-I10 VanDerWaalsContact C-N 3.33Å; W8-I10 PolarHBondContact O-N 2.93Å; I10-I13 PolarHBondContact O-N 2.91Å; I10-S14 PolarHBondContact O-N 2.74Å; I10-S14 PolarHBondContact O-OG 3.43Å
11	C	47.6	Very low	47.9	Very low	82 Å²	82	140.3 Å²	140.3	55%	0.554	66%	0.664	S	S	*	*	H	α-helix	trans	-66	-38.4	175.2	-88	0	0	0	0	112.9	R7 W8 S14 L15	R7-C11 PolarHBondContact O-N 3.3Å; W8-C11 PolarHBondContact O-N 3.27Å; C11-S14 PolarHBondContact O-N 3.49Å; C11-L15 PolarHBondContact O-N 3.24Å; C11-L15 VanDerWaalsContact O-N 3.12Å
12	T	52.8	Low	47.7	Very low	70 Å²	70	132.2 Å²	132.2	43%	0.429	63%	0.629	S	S	.	*	H	α-helix	trans	-68.7	-34.5	178.7	49.7	0	0	0	0	112.9	W8 T9 L16	W8-T12 WeakPolarHBondContact O-CG2 3.36Å; W8-T12 PolarHBondContact O-N 3.13Å; W8-T12 VanDerWaalsContact O-N 3.14Å; W8-T12 PolarHBondContact O-OG1 2.98Å; T9-T12 WeakPolarHBondContact CA-OG1 3.3Å; T9-T12 PolarHBondContact O-OG1 3.29Å; T12-L16 WeakPolarHBondContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CD1 3.37Å; T12-L16 WeakPolarHBondContact O-CG 3.3Å; T12-L16 PolarHBondContact O-N 2.67Å; T12-L16 VanDerWaalsContact O-N 3.13Å
13	I	54.4	Low	47.5	Very low	95 Å²	95	128.3 Å²	128.3	49%	0.487	62%	0.618	S	S	.	*	H	α-helix	trans	-71.4	-39.8	177.9	-67.6	168.1	0	0	0	110.7	T9 I10 L16 L17	T9-I13 WeakPolarHBondContact O-CD1 3.44Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.35Å; I10-I13 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 2.63Å; I13-L17 HydrophobicContact CG2-CD1 4.06Å; I13-L17 WeakPolarHBondContact O-CG 3.16Å; I13-L17 PolarHBondContact O-N 3.27Å; I13-L17 VanDerWaalsContact O-N 3.07Å
14	S	53.9	Low	47.3	Very low	61 Å²	61	128 Å²	128	43%	0.427	61%	0.605	S	S	.	*	H	α-helix	trans	-65.9	-40	176.8	-62.5	0	0	0	0	112.8	I10 C11 L17 I18	I10-S14 PolarHBondContact O-N 2.74Å; I10-S14 PolarHBondContact O-OG 3.43Å; C11-S14 PolarHBondContact O-N 3.49Å; S14-L17 PolarHBondContact O-N 3.49Å; S14-I18 VanDerWaalsContact O-CG1 3.3Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 3.49Å; S14-I18 VanDerWaalsContact O-N 3.12Å
15	L	50.8	Low	47.2	Very low	104 Å²	104	125.5 Å²	125.5	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-40.2	175.9	-80.8	160.8	0	0	0	112.4	C11 L17 I18 F19	C11-L15 PolarHBondContact O-N 3.24Å; C11-L15 VanDerWaalsContact O-N 3.12Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.4Å; L15-I18 PolarHBondContact O-N 3.36Å; L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 PolarHBondContact O-N 3.06Å
16	L	49.8	Very low	46.9	Very low	125 Å²	125	117.4 Å²	117.4	65%	0.654	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-36.2	176.2	-77.5	165.4	0	0	0	112.5	T12 I13 Y20	T12-L16 WeakPolarHBondContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CD1 3.37Å; T12-L16 WeakPolarHBondContact O-CG 3.3Å; T12-L16 PolarHBondContact O-N 2.67Å; T12-L16 VanDerWaalsContact O-N 3.13Å; I13-L16 PolarHBondContact O-N 2.63Å; L16-Y20 WeakPolarHBondContact O-CB 3.34Å; L16-Y20 PolarHBondContact O-N 2.93Å
17	L	47.9	Very low	46.7	Very low	110 Å²	110	118.3 Å²	118.3	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-69.2	-36.7	175.5	-75.1	167.5	0	0	0	112.3	I13 S14 L15 Y20 K21	I13-L17 HydrophobicContact CG2-CD1 4.06Å; I13-L17 WeakPolarHBondContact O-CG 3.16Å; I13-L17 PolarHBondContact O-N 3.27Å; I13-L17 VanDerWaalsContact O-N 3.07Å; S14-L17 PolarHBondContact O-N 3.49Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.4Å; L17-Y20 PolarHBondContact O-N 2.84Å; L17-K21 WeakPolarHBondContact O-CB 3.49Å; L17-K21 PolarHBondContact O-N 2.92Å
18	I	55.8	Low	46.6	Very low	103 Å²	103	112 Å²	112	53%	0.528	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-45.4	175	-66.9	165.4	0	0	0	110.3	S14 L15 Y20 K21 T22	S14-I18 VanDerWaalsContact O-CG1 3.3Å; S14-I18 WeakPolarHBondContact O-CG1 3.39Å; S14-I18 PolarHBondContact O-N 3.49Å; S14-I18 VanDerWaalsContact O-N 3.12Å; L15-I18 PolarHBondContact O-N 3.36Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 3.18Å; I18-K21 PolarHBondContact O-N 2.91Å; I18-T22 PolarHBondContact O-N 3.46Å; I18-T22 PolarHBondContact O-OG1 3.39Å; I18-T22 VanDerWaalsContact O-OG1 3.09Å
19	F	47.1	Very low	46.5	Very low	149 Å²	149	108.3 Å²	108.3	65%	0.654	55%	0.549	S	S	*	.	H	α-helix	trans	-63.2	-35.9	175.3	-95.8	-85.2	0	0	0	113.3	L15 T22 K23	L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 PolarHBondContact O-N 3.06Å; F19-T22 WeakPolarHBondContact CA-OG1 3.29Å; F19-T22 PolarHBondContact O-OG1 2.93Å; F19-K23 VanDerWaalsContact O-CB 3.26Å; F19-K23 WeakPolarHBondContact O-CB 3.45Å; F19-K23 PolarHBondContact O-N 2.88Å; F19-K23 VanDerWaalsContact O-N 3.12Å
20	Y	42.3	Very low	46	Very low	158 Å²	158	111.3 Å²	111.3	62%	0.62	56%	0.557	S	S	*	*	H	α-helix	trans	-66.7	-41.4	174.6	-171.1	-91.2	0	0	0	111.2	L16 L17 I18 K23 E24	L16-Y20 WeakPolarHBondContact O-CB 3.34Å; L16-Y20 PolarHBondContact O-N 2.93Å; L17-Y20 PolarHBondContact O-N 2.84Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 3.18Å; Y20-K23 PolarHBondContact O-N 3.36Å; Y20-E24 HydrophobicContact CD1-CG 4.29Å; Y20-E24 HydrophobicContact CE1-CG 3.91Å; Y20-E24 PolarHBondContact O-N 3.17Å
21	K	44.5	Very low	45.3	Very low	152 Å²	152	112.6 Å²	112.6	66%	0.661	56%	0.56	S	S	*	*	H	α-helix	trans	-72.4	-36.4	-178.3	-151.1	177	-174.5	-174.6	0	112.6	L17 I18 I25	L17-K21 WeakPolarHBondContact O-CB 3.49Å; L17-K21 PolarHBondContact O-N 2.92Å; I18-K21 PolarHBondContact O-N 2.91Å; K21-I25 WeakPolarHBondContact O-CD1 3.4Å; K21-I25 VanDerWaalsContact O-CG1 3.24Å; K21-I25 WeakPolarHBondContact O-CG1 3.48Å; K21-I25 PolarHBondContact O-N 3.33Å; K21-I25 VanDerWaalsContact O-N 3.08Å
22	T	43.8	Very low	44.7	Very low	75 Å²	75	114.9 Å²	114.9	46%	0.46	56%	0.563	S	S	.	*	H	α-helix	trans	-72	-34.2	174.3	52.2	0	0	0	0	112.4	I18 F19 I25 A26	I18-T22 PolarHBondContact O-N 3.46Å; I18-T22 PolarHBondContact O-OG1 3.39Å; I18-T22 VanDerWaalsContact O-OG1 3.09Å; F19-T22 WeakPolarHBondContact CA-OG1 3.29Å; F19-T22 PolarHBondContact O-OG1 2.93Å; T22-I25 PolarHBondContact O-N 3.44Å; T22-A26 WeakPolarHBondContact O-CB 3.37Å; T22-A26 PolarHBondContact O-N 3.28Å
23	K	42.3	Very low	43.6	Very low	167 Å²	167	119.1 Å²	119.1	73%	0.726	58%	0.578	S	S	*	*	H	α-helix	trans	-70.8	-31.7	174.5	-159.4	174.8	-172.5	175.6	0	112.8	F19 Y20 R27	F19-K23 VanDerWaalsContact O-CB 3.26Å; F19-K23 WeakPolarHBondContact O-CB 3.45Å; F19-K23 PolarHBondContact O-N 2.88Å; F19-K23 VanDerWaalsContact O-N 3.12Å; Y20-K23 PolarHBondContact O-N 3.36Å; K23-R27 VanDerWaalsContact O-CB 3.27Å; K23-R27 WeakPolarHBondContact O-CB 3.45Å; K23-R27 PolarHBondContact O-N 3.39Å; K23-R27 VanDerWaalsContact O-N 3.16Å
24	E	43.3	Very low	42.6	Very low	100 Å²	100	119.7 Å²	119.7	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-67.5	-43.8	169.7	-85.6	-102.3	139.2	0	0	111.7	Y20 R27 T28	Y20-E24 HydrophobicContact CD1-CG 4.29Å; Y20-E24 HydrophobicContact CE1-CG 3.91Å; Y20-E24 PolarHBondContact O-N 3.17Å; E24-R27 PolarHBondContact O-N 3.33Å; E24-T28 PolarHBondContact O-N 3.3Å; E24-T28 PolarHBondContact O-OG1 3.47Å
25	I	44.9	Very low	41.6	Very low	90 Å²	90	124.4 Å²	124.4	46%	0.462	60%	0.602	S	S	.	*	H	α-helix	trans	-64.7	-47.4	178.9	-67.6	163.5	0	0	0	110.9	K21 T22 R27 T28 E29	K21-I25 WeakPolarHBondContact O-CD1 3.4Å; K21-I25 VanDerWaalsContact O-CG1 3.24Å; K21-I25 WeakPolarHBondContact O-CG1 3.48Å; K21-I25 PolarHBondContact O-N 3.33Å; K21-I25 VanDerWaalsContact O-N 3.08Å; T22-I25 PolarHBondContact O-N 3.44Å; I25-R27 VanDerWaalsContact C-N 3.3Å; I25-R27 PolarHBondContact O-N 2.92Å; I25-T28 WeakPolarHBondContact O-CB 3.27Å; I25-T28 PolarHBondContact O-N 3.47Å; I25-E29 PolarHBondContact O-N 3.21Å
26	A	38.5	Very low	40.6	Very low	55 Å²	55	126.8 Å²	126.8	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-61.4	-36.3	176.9	0	0	0	0	0	112.7	T22 T28 E30	T22-A26 WeakPolarHBondContact O-CB 3.37Å; T22-A26 PolarHBondContact O-N 3.28Å; A26-T28 VanDerWaalsContact C-N 3.3Å; A26-T28 PolarHBondContact O-N 3.23Å; A26-E30 WeakPolarHBondContact O-CB 3.37Å; A26-E30 PolarHBondContact O-N 3.48Å; A26-E30 VanDerWaalsContact O-N 3.07Å
27	R	39.3	Very low	39.6	Very low	186 Å²	186	128.3 Å²	128.3	70%	0.702	62%	0.621	S	S	*	*	H	α-helix	trans	-71.2	-25.4	174.9	-165.2	178.6	-170.7	159.1	6.2	112.8	K23 E24 I25 H31	K23-R27 VanDerWaalsContact O-CB 3.27Å; K23-R27 WeakPolarHBondContact O-CB 3.45Å; K23-R27 PolarHBondContact O-N 3.39Å; K23-R27 VanDerWaalsContact O-N 3.16Å; E24-R27 PolarHBondContact O-N 3.33Å; I25-R27 VanDerWaalsContact C-N 3.3Å; I25-R27 PolarHBondContact O-N 2.92Å; R27-H31 WeakPolarHBondContact O-CB 3.17Å; R27-H31 PolarHBondContact O-N 3.18Å
28	T	40.4	Very low	38.8	Very low	81 Å²	81	126.2 Å²	126.2	50%	0.497	63%	0.626	S	S	.	*	H	α-helix	trans	-79.5	-36.8	178.2	-47.6	0	0	0	0	110.8	E24 I25 A26 H31 Q32	E24-T28 PolarHBondContact O-N 3.3Å; E24-T28 PolarHBondContact O-OG1 3.47Å; I25-T28 WeakPolarHBondContact O-CB 3.27Å; I25-T28 PolarHBondContact O-N 3.47Å; A26-T28 VanDerWaalsContact C-N 3.3Å; A26-T28 PolarHBondContact O-N 3.23Å; T28-H31 PolarHBondContact O-N 3.07Å; T28-Q32 PolarHBondContact O-N 3.01Å
29	E	39.3	Very low	37.3	Very low	119 Å²	119	129.2 Å²	129.2	56%	0.556	64%	0.643	S	S	*	*	H	α-helix	trans	-69	-42.2	174	-70.9	175.4	166.4	0	0	111.7	I25 H31 Q32 E33	I25-E29 PolarHBondContact O-N 3.21Å; E29-H31 PolarHBondContact O-N 2.65Å; E29-Q32 PolarHBondContact O-N 3.26Å; E29-E33 PolarHBondContact O-N 2.83Å; E29-E33 VanDerWaalsContact O-N 3.14Å
30	E	37.6	Very low	36.8	Very low	141 Å²	141	126.3 Å²	126.3	66%	0.659	66%	0.655	S	S	*	*	H	α-helix	trans	-65.5	-27.5	176.2	-156.2	177.5	-152.9	0	0	112.5	A26 T34	A26-E30 WeakPolarHBondContact O-CB 3.37Å; A26-E30 PolarHBondContact O-N 3.48Å; A26-E30 VanDerWaalsContact O-N 3.07Å; E30-T34 PolarHBondContact O-OG1 3.13Å
31	H	35.8	Very low	36.3	Very low	141 Å²	141	127 Å²	127	65%	0.653	66%	0.664	S	S	*	*	H	α-helix	trans	-80	-19	173.7	-132.4	40.3	0	0	0	113.7	R27 T28 E29	R27-H31 WeakPolarHBondContact O-CB 3.17Å; R27-H31 PolarHBondContact O-N 3.18Å; T28-H31 PolarHBondContact O-N 3.07Å; E29-H31 PolarHBondContact O-N 2.65Å
32	Q	33.3	Very low	36.1	Very low	130 Å²	130	126.1 Å²	126.1	61%	0.607	67%	0.666	S	S	*	*	H	α-helix	trans	-84.6	-35.8	175.4	-103.1	178	-27.8	0	0	112.1	T28 E29 Q35	T28-Q32 PolarHBondContact O-N 3.01Å; E29-Q32 PolarHBondContact O-N 3.26Å; Q32-Q35 PolarHBondContact O-N 2.81Å
33	E	31.4	Very low	35.4	Very low	159 Å²	159	127.9 Å²	127.9	74%	0.743	68%	0.681	S	S	*	*	H	α-helix	trans	-71.9	-30.7	176.7	-84.4	-173.7	153.6	0	0	113.4	E29 Q35	E29-E33 PolarHBondContact O-N 2.83Å; E29-E33 VanDerWaalsContact O-N 3.14Å; E33-Q35 PolarHBondContact O-N 3.15Å
34	T	33	Very low	35.2	Very low	108 Å²	108	125.4 Å²	125.4	66%	0.663	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-7.3	177.3	21.8	0	0	0	0	114.4	E30	E30-T34 PolarHBondContact O-OG1 3.13Å
35	Q	33.3	Very low	34.7	Very low	160 Å²	160	124.1 Å²	124.1	75%	0.748	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-4.3	177.2	-83.1	-171	-20.7	0	0	114.6	Q32 E33	Q32-Q35 PolarHBondContact O-N 2.81Å; E33-Q35 PolarHBondContact O-N 3.15Å
36	L	29.6	Very low	34.2	Very low	153 Å²	153	131.3 Å²	131.3	80%	0.801	70%	0.699	S	S	*	*	S	Bend	trans	-103.6	3.7	-173.2	-81.6	160.7	0	0	0	115.6
37	I	28.9	Very low	33.6	Very low	158 Å²	158	132.6 Å²	132.6	81%	0.81	71%	0.705	S	S	*	*	S	Bend	trans	-123.4	114.2	174.5	-56.3	179.8	0	0	0	108.5
38	G	29.8	Very low	33.5	Very low	65 Å²	65	127.6 Å²	127.6	67%	0.67	69%	0.691	S	S	*	*			trans	-73	148.8	-168.1	0	0	0	0	0	115.1
39	D	25	Very low	33.5	Very low	166 Å²	166	128.6 Å²	128.6	89%	0.888	70%	0.697	S	S	*	*			trans	-158.1	138.7	138.3	-100	-26.8	0	0	0	108.9	E41	D39-E41 PolarHBondContact O-N 2.85Å
40	G	36.3	Very low	32.9	Very low	89 Å²	89	130.3 Å²	130.3	92%	0.918	71%	0.71	S	S	*	*			trans	-68.6	90	-173.5	0	0	0	0	0	112.7
41	E	30.9	Very low	32.7	Very low	171 Å²	171	125.7 Å²	125.7	80%	0.799	69%	0.693	S	S	*	*			trans	-136.6	126.1	175.4	-136.4	-178.7	-174.2	0	0	112.9	D39 S43	D39-E41 PolarHBondContact O-N 2.85Å; E41-S43 PolarHBondContact O-N 2.87Å
42	L	42	Very low	33	Very low	135 Å²	135	121 Å²	121	71%	0.707	68%	0.677	S	S	*	*			trans	7.8	92.9	162.1	-84.5	136.1	0	0	0	118.1
43	S	29.2	Very low	33.2	Very low	111 Å²	111	121.7 Å²	121.7	78%	0.776	68%	0.684	S	S	*	*			trans	-115.8	83.1	161.6	71.4	0	0	0	0	111.9	E41 S45	E41-S43 PolarHBondContact O-N 2.87Å; S43-S45 PolarHBondContact O-N 2.71Å
44	L	37.8	Very low	33.3	Very low	116 Å²	116	122 Å²	122	61%	0.607	68%	0.683	S	S	*	*			trans	-83.8	87.8	162.8	-83.2	164.7	0	0	0	108.6	L48 K338	L44-L48 HydrophobicContact CD2-CD1 4.06Å; L44-K338 VanDerWaalsContact CD2-NZ 3.31Å
45	S	31.9	Very low	33.5	Very low	73 Å²	73	119.8 Å²	119.8	51%	0.51	67%	0.667	S	S	.	*			trans	-68.2	150.9	-177.9	71	0	0	0	0	113.1	S43 S47 L48	S43-S45 PolarHBondContact O-N 2.71Å; S45-S47 PolarHBondContact O-N 3.5Å; S45-L48 PolarHBondContact O-N 3.38Å
46	R	34.3	Very low	33.9	Very low	241 Å²	241	118.6 Å²	118.6	91%	0.909	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-16.9	177.3	-92.7	175.4	173.4	177.3	-1.9	114.8	L48	R46-L48 VanDerWaalsContact C-N 3.29Å; R46-L48 PolarHBondContact O-N 2.91Å
47	S	26.6	Very low	34.1	Very low	82 Å²	82	122.3 Å²	122.3	57%	0.573	67%	0.667	S	S	*	*	H	α-helix	trans	-64.8	-27.8	-176.3	178.5	0	0	0	0	113.7	S45 V49	S45-S47 PolarHBondContact O-N 3.5Å; S47-V49 VanDerWaalsContact C-N 3.32Å; S47-V49 PolarHBondContact O-N 2.62Å
48	L	37.3	Very low	34.2	Very low	81 Å²	81	124.1 Å²	124.1	42%	0.424	67%	0.669	S	S	.	*	H	α-helix	trans	-76.7	-12.9	-175.3	-69.3	170	0	0	0	114.7	L44 S45 R46 I55	L44-L48 HydrophobicContact CD2-CD1 4.06Å; S45-L48 PolarHBondContact O-N 3.38Å; R46-L48 VanDerWaalsContact C-N 3.29Å; R46-L48 PolarHBondContact O-N 2.91Å; L48-I55 HydrophobicContact CD2-CD1 4.07Å
49	V	39.8	Very low	34.4	Very low	102 Å²	102	123 Å²	123	62%	0.618	65%	0.653	S	S	*	*	H	α-helix	trans	-81.1	-34.2	-177.7	-178.8	0	0	0	0	111.8	S47 S52	S47-V49 VanDerWaalsContact C-N 3.32Å; S47-V49 PolarHBondContact O-N 2.62Å; V49-S52 PolarHBondContact O-OG 2.81Å
50	N	28	Very low	34.8	Very low	155 Å²	155	117.8 Å²	117.8	83%	0.829	64%	0.64	S	S	*	*	H	α-helix	trans	-86.4	-10.2	-178.5	-79.9	-1	0	0	0	114.1
51	S	32.1	Very low	34.9	Very low	44 Å²	44	119.2 Å²	119.2	31%	0.308	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.3	9.3	178.3	-74.3	0	0	0	0	113.9	D53 K54 I55	S51-D53 VanDerWaalsContact C-N 3.27Å; S51-D53 PolarHBondContact O-N 3.47Å; S51-K54 CarbonylContact O-C 3.34Å; S51-K54 PolarHBondContact O-N 3.01Å; S51-I55 VanDerWaalsContact CB-CD1 3.41Å; S51-I55 WeakPolarHBondContact O-CG1 3.5Å; S51-I55 PolarHBondContact O-N 2.94Å
52	S	42.7	Very low	35.3	Very low	43 Å²	43	115.3 Å²	115.3	30%	0.301	63%	0.627	S	S	.	*	H	α-helix	trans	-58.1	-33.8	-174	-52.6	0	0	0	0	113.8	V49 I56	V49-S52 PolarHBondContact O-OG 2.81Å; S52-I56 WeakPolarHBondContact O-CG1 3.21Å
53	D	38.1	Very low	35.4	Very low	143 Å²	143	113.7 Å²	113.7	77%	0.765	62%	0.618	S	S	*	*	H	α-helix	trans	-79.9	-22.5	175.2	-75.8	-28.3	0	0	0	113.7	S51	S51-D53 VanDerWaalsContact C-N 3.27Å; S51-D53 PolarHBondContact O-N 3.47Å
54	K	32.5	Very low	36.4	Very low	167 Å²	167	112 Å²	112	73%	0.726	60%	0.597	S	S	*	*	H	α-helix	trans	-94.6	-31.4	-179.8	-87.7	-177	176.4	177.2	0	113.3	S51 R57 K58	S51-K54 CarbonylContact O-C 3.34Å; S51-K54 PolarHBondContact O-N 3.01Å; K54-R57 PolarHBondContact O-N 3.01Å; K54-K58 VanDerWaalsContact O-CB 3.3Å; K54-K58 WeakPolarHBondContact O-CB 3.43Å; K54-K58 PolarHBondContact O-N 2.87Å; K54-K58 VanDerWaalsContact O-N 3.11Å
55	I	37.2	Very low	36.7	Very low	61 Å²	61	114.7 Å²	114.7	31%	0.313	61%	0.606	S	S	.	*	H	α-helix	trans	-71.4	-38.6	-178.8	-70.1	165.3	0	0	0	110.7	L48 S51 R57 K58 A59	L48-I55 HydrophobicContact CD2-CD1 4.07Å; S51-I55 VanDerWaalsContact CB-CD1 3.41Å; S51-I55 WeakPolarHBondContact O-CG1 3.5Å; S51-I55 PolarHBondContact O-N 2.94Å; I55-R57 PolarHBondContact O-N 3.25Å; I55-K58 PolarHBondContact O-N 2.83Å; I55-A59 HydrophobicContact CG2-CB 4.26Å; I55-A59 WeakPolarHBondContact O-CB 3.43Å; I55-A59 PolarHBondContact O-N 3.37Å
56	I	41	Very low	37.7	Very low	135 Å²	135	113.2 Å²	113.2	69%	0.692	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-26	177.4	-60.9	173.6	0	0	0	111.7	S52	S52-I56 WeakPolarHBondContact O-CG1 3.21Å
57	R	35.3	Very low	38.6	Very low	230 Å²	230	106.7 Å²	106.7	87%	0.868	57%	0.574	S	S	*	*	H	α-helix	trans	-89.9	-16.5	177.5	-68.2	-173.3	-176.9	-166.8	1.9	114.3	K54 I55	K54-R57 PolarHBondContact O-N 3.01Å; I55-R57 PolarHBondContact O-N 3.25Å
58	K	31.1	Very low	40.3	Very low	196 Å²	196	104.9 Å²	104.9	85%	0.852	56%	0.56	S	S	*	*	H	α-helix	trans	-124.6	-14.9	-169.4	-138.6	-176.6	-174.9	-171.5	0	115	K54 I55	K54-K58 VanDerWaalsContact O-CB 3.3Å; K54-K58 WeakPolarHBondContact O-CB 3.43Å; K54-K58 PolarHBondContact O-N 2.87Å; K54-K58 VanDerWaalsContact O-N 3.11Å; I55-K58 PolarHBondContact O-N 2.83Å
59	A	33.3	Very low	41.7	Very low	41 Å²	41	107.7 Å²	107.7	34%	0.339	57%	0.571	S	S	.	*	S	Bend	trans	-104.5	113	169.8	0	0	0	0	0	108.2	I55 I63	I55-A59 HydrophobicContact CG2-CB 4.26Å; I55-A59 WeakPolarHBondContact O-CB 3.43Å; I55-A59 PolarHBondContact O-N 3.37Å; A59-I63 HydrophobicContact CB-CD1 4.09Å
60	G	33.2	Very low	43.5	Very low	58 Å²	58	106.1 Å²	106.1	60%	0.598	58%	0.575	S	S	*	*			trans	-56.2	172.5	170.4	0	0	0	0	0	112.3	S62	G60-S62 PolarHBondContact O-N 3.26Å
61	S	39.4	Very low	46.5	Very low	118 Å²	118	101 Å²	101	83%	0.825	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-40.3	2.1	-176.6	56.3	0	0	0	0	120.2
62	S	37.6	Very low	49.5	Very low	89 Å²	89	107.1 Å²	107.1	62%	0.622	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-86.8	-12.5	-167	60.7	0	0	0	0	116.7	G60	G60-S62 PolarHBondContact O-N 3.26Å
63	I	45.8	Very low	52	Low	101 Å²	101	106.9 Å²	106.9	52%	0.518	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-83.5	-18.6	-178.4	-67.1	169.4	0	0	0	112.9	A59	A59-I63 HydrophobicContact CB-CD1 4.09Å
64	F	49.6	Very low	54.9	Low	77 Å²	77	103.3 Å²	103.3	34%	0.338	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-132.9	48.2	-177.5	-57.8	-75.2	0	0	0	111.7	H66 L307 F337	F64-H66 PolarHBondContact O-N 3.32Å; F64-L307 HydrophobicContact CB-CD2 3.53Å; F64-L307 HydrophobicContact CG-CD2 4.43Å; F64-L307 WeakPolarHBondContact O-CD1 3.43Å; F64-F337 HydrophobicContact CD1-CE1 4.29Å; F64-F337 HydrophobicContact CE1-CE1 4.04Å
65	Q	44.5	Very low	58	Low	171 Å²	171	101.1 Å²	101.1	80%	0.799	53%	0.532	S	S	*	.			trans	-70.7	97	171.8	-132.8	172	-3.7	0	0	108.5	N67	Q65-N67 PolarHBondContact O-N 3.09Å
66	H	52.3	Low	60.9	Low	43 Å²	43	102.5 Å²	102.5	20%	0.199	55%	0.547	C	S	.	.			trans	-81.8	98.6	175	-86.3	-64	0	0	0	108.7	F64 L307 T353	F64-H66 PolarHBondContact O-N 3.32Å; H66-L307 HydrophobicContact CB-CD1 4.11Å; H66-T353 PolarHBondContact CD2-OG1 3.13Å; H66-T353 PolarHBondContact CE1-OG1 3.47Å; H66-T353 PolarHBondContact ND1-OG1 3.19Å; H66-T353 PolarHBondContact NE2-OG1 3.32Å
67	N	52.9	Low	63.6	Low	103 Å²	103	96.7 Å²	96.7	55%	0.551	52%	0.517	S	S	*	.			trans	-112.3	103.7	157.9	-153.7	0.3	0	0	0	109	Q65 E69	Q65-N67 PolarHBondContact O-N 3.09Å; N67-E69 VanDerWaalsContact OD1-CB 3.3Å; N67-E69 WeakPolarHBondContact OD1-CB 3.25Å; N67-E69 PolarHBondContact OD1-N 2.89Å
68	V	63.2	Low	66.6	Low	44 Å²	44	86.4 Å²	86.4	27%	0.267	48%	0.48	S	S	.	.			trans	-74.8	-22.4	172.9	-176.4	0	0	0	0	109.8	G70 W71 K350	V68-G70 PolarHBondContact O-N 2.93Å; V68-W71 PolarHBondContact O-N 3.11Å; V68-K350 HydrophobicContact CG1-CD 4.32Å; V68-K350 HydrophobicContact CG1-CG 4.47Å
69	E	65.6	Low	69.8	Low	140 Å²	140	81.7 Å²	81.7	65%	0.654	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	126.9	172.2	-60.4	-177.1	158.8	0	0	110	N67 W71	N67-E69 VanDerWaalsContact OD1-CB 3.3Å; N67-E69 WeakPolarHBondContact OD1-CB 3.25Å; N67-E69 PolarHBondContact OD1-N 2.89Å; E69-W71 VanDerWaalsContact C-N 3.31Å; E69-W71 PolarHBondContact O-N 3.31Å
70	G	77.4	Confident	72.9	Confident	70 Å²	70	84.9 Å²	84.9	72%	0.722	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	2.2	-178.7	0	0	0	0	0	115	V68 K72	V68-G70 PolarHBondContact O-N 2.93Å; G70-K72 PolarHBondContact O-N 3.28Å
71	W	92.1	Very high	76	Confident	46 Å²	46	82.7 Å²	82.7	17%	0.174	45%	0.446	C	S	.	.			trans	-58.7	132	167.8	-179.6	85.1	0	0	0	110.1	V68 E69 I73 H344 L349 K350	V68-W71 PolarHBondContact O-N 3.11Å; E69-W71 VanDerWaalsContact C-N 3.31Å; E69-W71 PolarHBondContact O-N 3.31Å; W71-I73 HydrophobicContact CH2-CB 3.74Å; W71-I73 HydrophobicContact CH2-CG1 4.33Å; W71-I73 HydrophobicContact CZ2-CB 4.44Å; W71-I73 HydrophobicContact CZ3-CB 4.13Å; W71-H344 AromaticContact CD1-CE1 3.15Å; W71-H344 AromaticContact CD1-ND1 3.34Å; W71-H344 VanDerWaalsContact CD1-ND1 3.34Å; W71-H344 AromaticContact CD1-NE2 3.94Å; W71-H344 AromaticContact CG-CE1 3.72Å; W71-H344 AromaticContact NE1-CE1 3.67Å; W71-H344 AromaticContact NE1-ND1 3.32Å; W71-H344 PolarHBondContact NE1-ND1 2.9Å; W71-H344 PolarHBondContact NE1-O 3.07Å; W71-L349 WeakPolarHBondContact CZ2-O 3.37Å; W71-L349 PolarHBondContact NE1-O 3.48Å; W71-K350 HydrophobicContact CD2-CB 4.1Å; W71-K350 HydrophobicContact CD2-CG 3.98Å; W71-K350 HydrophobicContact CE3-CB 3.99Å; W71-K350 HydrophobicContact CE3-CD 4.24Å; W71-K350 HydrophobicContact CE3-CG 3.92Å; W71-K350 HydrophobicContact CG-CG 4.41Å; W71-K350 HydrophobicContact CH2-CB 3.96Å; W71-K350 HydrophobicContact CZ2-CB 4.09Å; W71-K350 HydrophobicContact CZ3-CB 3.91Å; W71-K350 HydrophobicContact CZ3-CG 4.32Å
72	K	94.1	Very high	78.7	Confident	173 Å²	173	78.3 Å²	78.3	75%	0.752	41%	0.412	S	S	*	.			trans	-128.2	139.4	177.8	-68.8	-176.1	-179.4	-178.9	0	110.3	G70 G347	G70-K72 PolarHBondContact O-N 3.28Å; K72-G347 WeakPolarHBondContact O-CA 3.47Å
73	I	96.8	Very high	81.6	Confident	38 Å²	38	80.7 Å²	80.7	20%	0.195	41%	0.411	C	S	.	.			trans	-68.8	136.6	175	-175.8	159.8	0	0	0	111.1	W71 F75 V78 E294	W71-I73 HydrophobicContact CH2-CB 3.74Å; W71-I73 HydrophobicContact CH2-CG1 4.33Å; W71-I73 HydrophobicContact CZ2-CB 4.44Å; W71-I73 HydrophobicContact CZ3-CB 4.13Å; I73-F75 HydrophobicContact CD1-CD1 3.88Å; I73-F75 HydrophobicContact CD1-CE1 3.56Å; I73-F75 HydrophobicContact CD1-CZ 4.02Å; I73-F75 HydrophobicContact CG1-CD1 4.13Å; I73-F75 HydrophobicContact CG1-CE1 4.11Å; I73-F75 HydrophobicContact CG1-CG 4.35Å; I73-F75 HydrophobicContact CG1-CZ 4.31Å; I73-F75 HydrophobicContact CG2-CD2 3.95Å; I73-F75 HydrophobicContact CG2-CE1 4.15Å; I73-F75 HydrophobicContact CG2-CE2 3.37Å; I73-F75 HydrophobicContact CG2-CZ 3.48Å; I73-F75 VanDerWaalsContact CG2-CZ 3.48Å; I73-V78 HydrophobicContact CD1-CG2 4.26Å; I73-V78 HydrophobicContact CG1-CG2 4.21Å; I73-E294 HydrophobicContact CD1-CB 3.81Å; I73-E294 HydrophobicContact CD1-CG 3.73Å
74	N	98	Very high	84	Confident	68 Å²	68	77.5 Å²	77.5	36%	0.364	40%	0.395	S	S	.	.			trans	-104.2	89.6	169.5	-177.1	-20.8	0	0	0	108.7	S76 L77 V78 R346 G347	N74-S76 VanDerWaalsContact C-N 3.26Å; N74-S76 PolarHBondContact O-N 3.44Å; N74-S76 PolarHBondContact OD1-N 2.87Å; N74-L77 HydrophobicContact CB-CB 4.14Å; N74-L77 PolarHBondContact O-N 3.12Å; N74-L77 PolarHBondContact OD1-N 3.42Å; N74-L77 VanDerWaalsContact OD1-N 3.13Å; N74-V78 WeakPolarHBondContact O-CG2 3.46Å; N74-V78 PolarHBondContact O-N 3Å; N74-R346 VanDerWaalsContact CB-O 3.3Å; N74-R346 WeakPolarHBondContact CB-O 3.49Å; N74-G347 PolarHBondContact N-O 3.42Å
75	F	97.1	Very high	86.4	Confident	121 Å²	121	73.9 Å²	73.9	53%	0.531	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-36.1	-176.4	-72.9	-71.3	0	0	0	113.3	I73 L77 V78 L79	I73-F75 HydrophobicContact CD1-CD1 3.88Å; I73-F75 HydrophobicContact CD1-CE1 3.56Å; I73-F75 HydrophobicContact CD1-CZ 4.02Å; I73-F75 HydrophobicContact CG1-CD1 4.13Å; I73-F75 HydrophobicContact CG1-CE1 4.11Å; I73-F75 HydrophobicContact CG1-CG 4.35Å; I73-F75 HydrophobicContact CG1-CZ 4.31Å; I73-F75 HydrophobicContact CG2-CD2 3.95Å; I73-F75 HydrophobicContact CG2-CE1 4.15Å; I73-F75 HydrophobicContact CG2-CE2 3.37Å; I73-F75 HydrophobicContact CG2-CZ 3.48Å; I73-F75 VanDerWaalsContact CG2-CZ 3.48Å; F75-L77 PolarHBondContact O-N 3.29Å; F75-V78 PolarHBondContact O-N 3.45Å; F75-L79 WeakPolarHBondContact O-CG 3.37Å; F75-L79 PolarHBondContact O-N 3.16Å
76	S	98.2	Very high	88.9	Confident	91 Å²	91	69.7 Å²	69.7	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-46.3	177.9	-58.6	0	0	0	0	111.3	N74 L79 E80	N74-S76 VanDerWaalsContact C-N 3.26Å; N74-S76 PolarHBondContact O-N 3.44Å; N74-S76 PolarHBondContact OD1-N 2.87Å; S76-L79 PolarHBondContact O-N 2.84Å; S76-E80 PolarHBondContact O-N 3.2Å
77	L	98.3	Very high	91	Very high	12 Å²	12	76.5 Å²	76.5	6%	0.063	39%	0.385	C	S	.	.	H	α-helix	trans	-66.2	-39.1	177	-179.6	59.1	0	0	0	112.1	N74 F75 L79 E80 I81 R346 A348	N74-L77 HydrophobicContact CB-CB 4.14Å; N74-L77 PolarHBondContact O-N 3.12Å; N74-L77 PolarHBondContact OD1-N 3.42Å; N74-L77 VanDerWaalsContact OD1-N 3.13Å; F75-L77 PolarHBondContact O-N 3.29Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-L79 PolarHBondContact O-N 3.27Å; L77-E80 PolarHBondContact O-N 3.45Å; L77-I81 HydrophobicContact CD1-CD1 4.03Å; L77-I81 HydrophobicContact CD1-CG1 4.21Å; L77-I81 HydrophobicContact CG-CD1 3.92Å; L77-I81 WeakPolarHBondContact O-CB 3.47Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.14Å; L77-R346 HydrophobicContact CD2-CB 3.53Å; L77-A348 HydrophobicContact CD2-CB 3.83Å; L77-A348 HydrophobicContact CG-CB 4.05Å
78	V	98.3	Very high	93.1	Very high	15 Å²	15	74.1 Å²	74.1	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-45.8	175.3	172.3	0	0	0	0	111	I73 N74 F75 I81 R82 A348	I73-V78 HydrophobicContact CD1-CG2 4.26Å; I73-V78 HydrophobicContact CG1-CG2 4.21Å; N74-V78 WeakPolarHBondContact O-CG2 3.46Å; N74-V78 PolarHBondContact O-N 3Å; F75-V78 PolarHBondContact O-N 3.45Å; V78-I81 PolarHBondContact O-N 3.49Å; V78-R82 VanDerWaalsContact O-CB 3.24Å; V78-R82 WeakPolarHBondContact O-CB 3.47Å; V78-R82 PolarHBondContact O-N 3.25Å; V78-A348 WeakPolarHBondContact CG2-O 3.47Å
79	L	97.9	Very high	94.7	Very high	97 Å²	97	72.1 Å²	72.1	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177.9	-71.2	174.4	0	0	0	112.1	F75 S76 L77 R82 K83	F75-L79 WeakPolarHBondContact O-CG 3.37Å; F75-L79 PolarHBondContact O-N 3.16Å; S76-L79 PolarHBondContact O-N 2.84Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-L79 PolarHBondContact O-N 3.27Å; L79-R82 PolarHBondContact O-N 3.07Å; L79-K83 WeakPolarHBondContact O-CB 3.46Å; L79-K83 PolarHBondContact O-N 2.75Å
80	E	98.1	Very high	96.2	Very high	107 Å²	107	67.4 Å²	67.4	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-51.6	175.2	-168.6	-162.7	145.9	0	0	111.4	S76 L77 R82 K83 N84	S76-E80 PolarHBondContact O-N 3.2Å; L77-E80 PolarHBondContact O-N 3.45Å; E80-R82 VanDerWaalsContact C-N 3.31Å; E80-R82 PolarHBondContact O-N 3.31Å; E80-K83 PolarHBondContact O-N 3Å; E80-K83 VanDerWaalsContact O-N 3.17Å; E80-N84 WeakPolarHBondContact O-CB 3.45Å; E80-N84 VanDerWaalsContact O-CG 3.31Å; E80-N84 PolarHBondContact O-N 2.78Å; E80-N84 PolarHBondContact O-ND2 3.47Å
81	I	98.2	Very high	97	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-46.7	176.7	-72.1	167.4	0	0	0	110.3	L77 V78 K83 N84 I85 T289 L343 A348	L77-I81 HydrophobicContact CD1-CD1 4.03Å; L77-I81 HydrophobicContact CD1-CG1 4.21Å; L77-I81 HydrophobicContact CG-CD1 3.92Å; L77-I81 WeakPolarHBondContact O-CB 3.47Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.14Å; V78-I81 PolarHBondContact O-N 3.49Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 2.74Å; I81-N84 PolarHBondContact O-N 3.33Å; I81-I85 HydrophobicContact CG2-CD1 3.62Å; I81-I85 HydrophobicContact CG2-CG1 4.34Å; I81-I85 WeakPolarHBondContact O-CG1 3.42Å; I81-I85 PolarHBondContact O-N 3.21Å; I81-T289 HydrophobicContact CG2-CG2 4.38Å; I81-L343 HydrophobicContact CD1-CD2 3.84Å; I81-A348 HydrophobicContact CD1-CB 3.59Å
82	R	97.6	Very high	97.1	Very high	27 Å²	27	65.6 Å²	65.6	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-45.1	177.6	175.9	178.4	-63.2	140.3	16.5	111.6	V78 L79 E80 L86 T289 R290 C292 D293	V78-R82 VanDerWaalsContact O-CB 3.24Å; V78-R82 WeakPolarHBondContact O-CB 3.47Å; V78-R82 PolarHBondContact O-N 3.25Å; L79-R82 PolarHBondContact O-N 3.07Å; E80-R82 VanDerWaalsContact C-N 3.31Å; E80-R82 PolarHBondContact O-N 3.31Å; R82-L86 PolarHBondContact O-N 3.2Å; R82-L86 VanDerWaalsContact O-N 3.16Å; R82-T289 WeakPolarHBondContact CG-O 3.39Å; R82-T289 PolarHBondContact NE-O 3.27Å; R82-R290 PolarHBondContact O-NH1 3.05Å; R82-C292 PolarHBondContact NH2-O 3.36Å; R82-D293 IonicContact CZ-OD1 3.55Å; R82-D293 IonicContact NH1-OD1 3.8Å; R82-D293 PolarHBondContact NH1-OD1 3.32Å; R82-D293 IonicContact NH2-OD1 3.74Å; R82-D293 PolarHBondContact NH2-OD1 3.25Å
83	K	97.3	Very high	97.1	Very high	139 Å²	139	66 Å²	66	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-40.3	177.7	-176.4	178.5	179.2	179.7	0	111.6	L79 E80 I81 L86	L79-K83 WeakPolarHBondContact O-CB 3.46Å; L79-K83 PolarHBondContact O-N 2.75Å; E80-K83 PolarHBondContact O-N 3Å; E80-K83 VanDerWaalsContact O-N 3.17Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 2.74Å; K83-L86 WeakPolarHBondContact O-CB 3.34Å; K83-L86 PolarHBondContact O-N 3.26Å
84	N	97.6	Very high	97.1	Very high	34 Å²	34	64.3 Å²	64.3	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-42.2	178.5	-70.4	-20.1	0	0	0	111.8	E80 I81 L86 R87 F88 Y267	E80-N84 WeakPolarHBondContact O-CB 3.45Å; E80-N84 VanDerWaalsContact O-CG 3.31Å; E80-N84 PolarHBondContact O-N 2.78Å; E80-N84 PolarHBondContact O-ND2 3.47Å; I81-N84 PolarHBondContact O-N 3.33Å; N84-L86 VanDerWaalsContact C-N 3.32Å; N84-L86 PolarHBondContact O-N 3.26Å; N84-R87 WeakPolarHBondContact O-CB 3.5Å; N84-R87 PolarHBondContact O-N 3Å; N84-F88 WeakPolarHBondContact O-CD2 2.87Å; N84-Y267 HydrophobicContact CB-CE2 4.05Å
85	I	98.1	Very high	97.1	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-34.6	177.4	-69.9	171.8	0	0	0	111.6	I81 R87 F88 L89 Y267 T286 T289 R290	I81-I85 HydrophobicContact CG2-CD1 3.62Å; I81-I85 HydrophobicContact CG2-CG1 4.34Å; I81-I85 WeakPolarHBondContact O-CG1 3.42Å; I81-I85 PolarHBondContact O-N 3.21Å; I85-R87 PolarHBondContact O-N 3.42Å; I85-R87 VanDerWaalsContact O-N 3.12Å; I85-F88 PolarHBondContact O-N 3.35Å; I85-L89 HydrophobicContact CG2-CD1 4.14Å; I85-L89 HydrophobicContact CG2-CD2 3.94Å; I85-L89 HydrophobicContact CG2-CG 3.77Å; I85-L89 PolarHBondContact O-N 3.46Å; I85-Y267 HydrophobicContact CB-CE2 4.44Å; I85-Y267 HydrophobicContact CD1-CD1 4.45Å; I85-Y267 HydrophobicContact CD1-CE1 3.93Å; I85-Y267 HydrophobicContact CD1-CE2 4.38Å; I85-Y267 HydrophobicContact CG1-CD1 3.99Å; I85-Y267 HydrophobicContact CG1-CD2 3.71Å; I85-Y267 HydrophobicContact CG1-CE1 3.71Å; I85-Y267 HydrophobicContact CG1-CE2 3.4Å; I85-Y267 HydrophobicContact CG1-CG 4Å; I85-T286 HydrophobicContact CD1-CG2 3.94Å; I85-T286 HydrophobicContact CG1-CG2 4.35Å; I85-T286 HydrophobicContact CG2-CG2 4.09Å; I85-T289 HydrophobicContact CD1-CG2 3.66Å; I85-T289 WeakPolarHBondContact CD1-OG1 3.3Å; I85-R290 HydrophobicContact CG2-CG 4.17Å
86	L	96.9	Very high	97.1	Very high	83 Å²	83	55.4 Å²	55.4	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-28	177.7	-178	55.1	0	0	0	113.1	R82 K83 N84 F88 L89	R82-L86 PolarHBondContact O-N 3.2Å; R82-L86 VanDerWaalsContact O-N 3.16Å; K83-L86 WeakPolarHBondContact O-CB 3.34Å; K83-L86 PolarHBondContact O-N 3.26Å; N84-L86 VanDerWaalsContact C-N 3.32Å; N84-L86 PolarHBondContact O-N 3.26Å; L86-F88 PolarHBondContact O-N 3.05Å; L86-L89 WeakPolarHBondContact CA-O 3.09Å
87	R	97.1	Very high	97.1	Very high	186 Å²	186	51.7 Å²	51.7	70%	0.702	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	176.4	-60.4	177.5	178.3	169.6	-1.8	113	N84 I85	N84-R87 WeakPolarHBondContact O-CB 3.5Å; N84-R87 PolarHBondContact O-N 3Å; I85-R87 PolarHBondContact O-N 3.42Å; I85-R87 VanDerWaalsContact O-N 3.12Å
88	F	97.8	Very high	97	Very high	54 Å²	54	52.6 Å²	52.6	24%	0.237	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-44.9	-177.2	-67.1	-95	0	0	0	112	N84 I85 L86 R259 A263 G266 Y267 T270	N84-F88 WeakPolarHBondContact O-CD2 2.87Å; I85-F88 PolarHBondContact O-N 3.35Å; L86-F88 PolarHBondContact O-N 3.05Å; F88-R259 PolarHBondContact O-NH1 2.93Å; F88-A263 HydrophobicContact CB-CB 4.41Å; F88-A263 WeakPolarHBondContact O-CB 3.47Å; F88-G266 VanDerWaalsContact CE1-C 3.49Å; F88-Y267 AromaticContact CD2-CD2 3.84Å; F88-Y267 HydrophobicContact CD2-CD2 3.84Å; F88-Y267 HydrophobicContact CD2-CG 4.36Å; F88-Y267 AromaticContact CE2-CD2 3.92Å; F88-Y267 HydrophobicContact CE2-CD2 3.92Å; F88-T270 HydrophobicContact CZ-CG2 4.23Å
89	L	97.1	Very high	97	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	25%	0.246	C	C	.	.			trans	-140	152.5	-174.6	73	88.3	0	0	0	112.2	I85 L86 D94 L260 A263 V264 T286 L287 R290	I85-L89 HydrophobicContact CG2-CD1 4.14Å; I85-L89 HydrophobicContact CG2-CD2 3.94Å; I85-L89 HydrophobicContact CG2-CG 3.77Å; I85-L89 PolarHBondContact O-N 3.46Å; L86-L89 WeakPolarHBondContact CA-O 3.09Å; L89-D94 WeakPolarHBondContact CA-OD2 3.2Å; L89-D94 WeakPolarHBondContact CB-OD2 2.96Å; L89-L260 HydrophobicContact CB-CD1 4.49Å; L89-L260 HydrophobicContact CD2-CD1 4.16Å; L89-A263 HydrophobicContact CB-CB 4.14Å; L89-V264 HydrophobicContact CD2-CG2 3.42Å; L89-V264 VanDerWaalsContact CD2-CG2 3.42Å; L89-T286 HydrophobicContact CD2-CG2 3.98Å; L89-L287 HydrophobicContact CD1-CD2 3.94Å; L89-R290 HydrophobicContact CD1-CG 3.57Å
90	D	95.3	Very high	96.9	Very high	41 Å²	41	55 Å²	55	22%	0.219	26%	0.257	C	S	.	.			trans	-125.4	119.3	174.2	-179.8	-0.6	0	0	0	108.8	E92 R93 D94	D90-E92 PolarHBondContact O-N 3.28Å; D90-E92 PolarHBondContact OD1-N 3.29Å; D90-R93 HydrophobicContact CB-CB 4.43Å; D90-R93 PolarHBondContact O-N 3.01Å; D90-R93 IonicContact OD2-NE 2.63Å; D90-D94 PolarHBondContact N-OD2 3.39Å; D90-D94 VanDerWaalsContact O-CB 3.29Å; D90-D94 WeakPolarHBondContact O-CB 3.43Å; D90-D94 PolarHBondContact O-N 2.87Å
91	A	94.2	Very high	96.8	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-29.6	-177.9	0	0	0	0	0	112.7	R93 V95 M134 R290 F291	A91-R93 PolarHBondContact O-N 3.05Å; A91-V95 HydrophobicContact CB-CG2 4.04Å; A91-V95 VanDerWaalsContact O-CB 3.25Å; A91-V95 WeakPolarHBondContact O-CB 3.35Å; A91-V95 WeakPolarHBondContact O-CG2 3.3Å; A91-V95 PolarHBondContact O-N 3.16Å; A91-M134 HydrophobicContact CB-CB 4.5Å; A91-R290 HydrophobicContact CB-CB 3.68Å; A91-R290 HydrophobicContact CB-CG 4.41Å; A91-F291 HydrophobicContact CB-CD1 3.79Å; A91-F291 HydrophobicContact CB-CE1 4.37Å
92	E	95.2	Very high	96.7	Very high	74 Å²	74	53.9 Å²	53.9	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-69.7	-20.3	177.7	-61.5	-156.5	175.4	0	0	113	D90 S132 N136	D90-E92 PolarHBondContact O-N 3.28Å; D90-E92 PolarHBondContact OD1-N 3.29Å; E92-S132 WeakPolarHBondContact O-CB 3.4Å; E92-S132 PolarHBondContact O-OG 3.43Å; E92-N136 PolarHBondContact OE1-N 3.33Å
93	R	94.9	Very high	96.7	Very high	181 Å²	181	59.8 Å²	59.8	68%	0.683	29%	0.285	S	S	*	.	H	α-helix	trans	-111.3	-31.1	-178.4	-60.9	-179.1	-177.4	-165.1	-1.4	113.3	D90 A91	D90-R93 HydrophobicContact CB-CB 4.43Å; D90-R93 PolarHBondContact O-N 3.01Å; D90-R93 IonicContact OD2-NE 2.63Å; A91-R93 PolarHBondContact O-N 3.05Å
94	D	96.7	Very high	96.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.011	27%	0.271	C	S	.	.	H	α-helix	trans	-99.2	-21	-168.8	-64.2	-46.6	0	0	0	114	L89 D90 S96 S257 R259 L260	L89-D94 WeakPolarHBondContact CA-OD2 3.2Å; L89-D94 WeakPolarHBondContact CB-OD2 2.96Å; D90-D94 PolarHBondContact N-OD2 3.39Å; D90-D94 VanDerWaalsContact O-CB 3.29Å; D90-D94 WeakPolarHBondContact O-CB 3.43Å; D90-D94 PolarHBondContact O-N 2.87Å; D94-S96 VanDerWaalsContact C-N 3.3Å; D94-S96 PolarHBondContact O-N 2.04Å; D94-S257 PolarHBondContact O-N 3.33Å; D94-S257 VanDerWaalsContact O-N 3.09Å; D94-S257 PolarHBondContact OD1-OG 2.96Å; D94-R259 IonicContact OD1-CZ 2.99Å; D94-R259 IonicContact OD1-NE 3.09Å; D94-R259 PolarHBondContact OD1-NE 2.01Å; D94-R259 IonicContact OD1-NH2 2.81Å; D94-R259 PolarHBondContact OD1-NH2 3.24Å; D94-R259 IonicContact OD2-CZ 2.7Å; D94-R259 VanDerWaalsContact OD2-CZ 3.25Å; D94-R259 IonicContact OD2-NE 3.16Å; D94-R259 IonicContact OD2-NH1 3.74Å; D94-R259 IonicContact OD2-NH2 3.89Å; D94-R259 PolarHBondContact OD2-NH2 2.87Å; D94-L260 HydrophobicContact CB-CB 4.26Å; D94-L260 HydrophobicContact CB-CD1 3.92Å
95	V	97.1	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-63	-40.6	175.7	166.8	0	0	0	0	110.9	A91 M134 F187 W224 P256 L287	A91-V95 HydrophobicContact CB-CG2 4.04Å; A91-V95 VanDerWaalsContact O-CB 3.25Å; A91-V95 WeakPolarHBondContact O-CB 3.35Å; A91-V95 WeakPolarHBondContact O-CG2 3.3Å; A91-V95 PolarHBondContact O-N 3.16Å; V95-M134 HydrophobicContact CB-CG 4.24Å; V95-M134 HydrophobicContact CG1-CG 3.96Å; V95-M134 HydrophobicContact CG2-CB 4.3Å; V95-M134 HydrophobicContact CG2-CG 3.88Å; V95-F187 HydrophobicContact CG1-CE2 3.81Å; V95-F187 HydrophobicContact CG1-CZ 4.17Å; V95-W224 VanDerWaalsContact O-CD1 3.28Å; V95-W224 PolarHBondContact O-NE1 2.89Å; V95-P256 WeakPolarHBondContact O-CA 2.95Å; V95-L287 HydrophobicContact CG2-CD2 4.13Å
96	S	97.6	Very high	96.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	30%	0.299	C	S	.	.			trans	-146.6	139.5	173.6	-163.4	0	0	0	0	111.6	D94 P129 A254 Y255	D94-S96 VanDerWaalsContact C-N 3.3Å; D94-S96 PolarHBondContact O-N 2.04Å; S96-P129 WeakPolarHBondContact OG-CD 3.43Å; S96-P129 WeakPolarHBondContact OG-CG 3.33Å; S96-A254 WeakPolarHBondContact OG-CA 3.23Å; S96-Y255 CarbonylContact C-O 3.48Å; S96-Y255 WeakPolarHBondContact CA-O 3.3Å; S96-Y255 PolarHBondContact OG-N 2.68Å; S96-Y255 PolarHBondContact OG-O 2.81Å
97	V	96.9	Very high	96.6	Very high	14 Å²	14	59 Å²	59	9%	0.085	30%	0.304	C	S	.	.			trans	-63.4	152.5	152.8	-54.7	0	0	0	0	108.8	F102 L128 F228 Y255	V97-F102 HydrophobicContact CB-CD2 4.42Å; V97-F102 HydrophobicContact CB-CE2 3.78Å; V97-F102 HydrophobicContact CG1-CE2 3.96Å; V97-F102 HydrophobicContact CG2-CD2 4.15Å; V97-F102 HydrophobicContact CG2-CE2 3.74Å; V97-L128 HydrophobicContact CG2-CD2 3.62Å; V97-F228 HydrophobicContact CG2-CE2 4.08Å; V97-F228 HydrophobicContact CG2-CZ 4.41Å; V97-Y255 PolarHBondContact N-O 2.85Å
98	V	97.3	Very high	96.4	Very high	30 Å²	30	50.6 Å²	50.6	18%	0.182	27%	0.273	C	S	.	.			trans	-111.8	161.7	-178.6	-64.2	0	0	0	0	110.6	S100 S101 P129	V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 WeakPolarHBondContact CG2-OG 3.4Å; V98-S100 PolarHBondContact O-N 3.4Å; V98-S101 VanDerWaalsContact CG2-OG 3.32Å; V98-S101 WeakPolarHBondContact CG2-OG 3.45Å; V98-S101 WeakPolarHBondContact O-CB 2.99Å; V98-S101 PolarHBondContact O-N 2.92Å; V98-S101 PolarHBondContact O-OG 3.05Å; V98-S101 VanDerWaalsContact O-OG 3.13Å; V98-P129 CarbonylContact C-O 3.44Å; V98-P129 WeakPolarHBondContact CA-O 3.28Å; V98-P129 VanDerWaalsContact CB-O 3.3Å; V98-P129 WeakPolarHBondContact CB-O 3.35Å
99	K	97.4	Very high	96.2	Very high	55 Å²	55	53 Å²	53	24%	0.239	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-54.9	-43.3	-175.5	-161.8	175.5	-165.8	162.4	0	113.3	S101 F102 H125 L128 P129 E130	K99-S101 PolarHBondContact O-N 3.31Å; K99-F102 PolarHBondContact O-N 3.03Å; K99-H125 WeakPolarHBondContact CG-NE2 3.42Å; K99-L128 HydrophobicContact CB-CB 4.02Å; K99-L128 HydrophobicContact CG-CB 4.34Å; K99-P129 PolarHBondContact N-O 3.15Å; K99-E130 WeakPolarHBondContact CD-OE1 3.33Å; K99-E130 IonicContact NZ-OE1 3.66Å; K99-E130 PolarHBondContact NZ-OE1 3.25Å; K99-E130 VanDerWaalsContact NZ-OE1 3.09Å
100	S	97	Very high	96	Very high	108 Å²	108	53.3 Å²	53.3	76%	0.755	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-62.7	-12.8	177	64.8	0	0	0	0	114.8	V98 F102	V98-S100 VanDerWaalsContact C-N 3.3Å; V98-S100 WeakPolarHBondContact CG2-OG 3.4Å; V98-S100 PolarHBondContact O-N 3.4Å; S100-F102 VanDerWaalsContact C-N 3.31Å
101	S	95.3	Very high	95.8	Very high	63 Å²	63	51.8 Å²	51.8	44%	0.441	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-77.4	-17.3	179.3	-53.4	0	0	0	0	113.1	V98 K99	V98-S101 VanDerWaalsContact CG2-OG 3.32Å; V98-S101 WeakPolarHBondContact CG2-OG 3.45Å; V98-S101 WeakPolarHBondContact O-CB 2.99Å; V98-S101 PolarHBondContact O-N 2.92Å; V98-S101 PolarHBondContact O-OG 3.05Å; V98-S101 VanDerWaalsContact O-OG 3.13Å; K99-S101 PolarHBondContact O-N 3.31Å
102	F	96.2	Very high	95.6	Very high	33 Å²	33	55 Å²	55	15%	0.145	29%	0.294	C	S	.	.			trans	-143.6	163.2	-173.3	-64.3	-66.1	0	0	0	112.1	V97 K99 S100 D106 I108 I120 H125 L128	V97-F102 HydrophobicContact CB-CD2 4.42Å; V97-F102 HydrophobicContact CB-CE2 3.78Å; V97-F102 HydrophobicContact CG1-CE2 3.96Å; V97-F102 HydrophobicContact CG2-CD2 4.15Å; V97-F102 HydrophobicContact CG2-CE2 3.74Å; K99-F102 PolarHBondContact O-N 3.03Å; S100-F102 VanDerWaalsContact C-N 3.31Å; F102-D106 VanDerWaalsContact CA-OD2 3.3Å; F102-D106 WeakPolarHBondContact CA-OD2 3.08Å; F102-D106 HydrophobicContact CD1-CB 4.34Å; F102-I108 HydrophobicContact CD1-CG2 4.19Å; F102-I108 HydrophobicContact CE1-CG2 3.54Å; F102-I108 HydrophobicContact CZ-CG2 4.17Å; F102-I120 HydrophobicContact CB-CG1 4.18Å; F102-I120 HydrophobicContact CB-CG2 4.35Å; F102-I120 HydrophobicContact CD1-CD1 4.44Å; F102-I120 HydrophobicContact CD1-CG1 4.15Å; F102-I120 HydrophobicContact CG-CD1 4.31Å; F102-I120 HydrophobicContact CG-CG1 4.14Å; F102-H125 PolarHBondContact O-CD2 3.06Å; F102-H125 PolarHBondContact O-NE2 2.82Å; F102-L128 HydrophobicContact CB-CD1 4.38Å; F102-L128 HydrophobicContact CD2-CD1 4.08Å
103	K	97.5	Very high	95.2	Very high	151 Å²	151	54.2 Å²	54.2	66%	0.657	29%	0.292	S	S	*	.			trans	-124	152.6	165.7	-62.5	-179.7	-176.8	179.8	0	109.5	G105 D106	K103-G105 PolarHBondContact O-N 3.38Å; K103-D106 PolarHBondContact N-OD2 3.24Å; K103-D106 VanDerWaalsContact O-CB 3.31Å; K103-D106 WeakPolarHBondContact O-CB 3.3Å; K103-D106 VanDerWaalsContact O-CG 3.31Å; K103-D106 PolarHBondContact O-N 3.49Å
104	P	97.9	Very high	94.9	Very high	47 Å²	47	54 Å²	54	31%	0.305	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	132.3	168.6	-24.9	34.8	0	0	0	110.8	I120 H125	P104-I120 WeakPolarHBondContact CA-O 3.16Å; P104-H125 HydrophobicContact CG-CB 4.02Å
105	G	97.1	Very high	94.5	Very high	44 Å²	44	65 Å²	65	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-14	-175.5	0	0	0	0	0	115.3	K103 V107 I120	K103-G105 PolarHBondContact O-N 3.38Å; G105-V107 PolarHBondContact O-N 2.94Å; G105-I120 PolarHBondContact N-O 2.95Å
106	D	97.3	Very high	94.3	Very high	61 Å²	61	71 Å²	71	33%	0.326	36%	0.355	S	S	.	.			trans	-56.8	137	175.7	-78.6	-7.5	0	0	0	111.1	F102 K103 N119 I120	F102-D106 VanDerWaalsContact CA-OD2 3.3Å; F102-D106 WeakPolarHBondContact CA-OD2 3.08Å; F102-D106 HydrophobicContact CD1-CB 4.34Å; K103-D106 PolarHBondContact N-OD2 3.24Å; K103-D106 VanDerWaalsContact O-CB 3.31Å; K103-D106 WeakPolarHBondContact O-CB 3.3Å; K103-D106 VanDerWaalsContact O-CG 3.31Å; K103-D106 PolarHBondContact O-N 3.49Å; D106-N119 CarbonylContact O-C 3.55Å; D106-N119 VanDerWaalsContact O-CA 3.3Å; D106-N119 WeakPolarHBondContact O-CA 3.25Å; D106-I120 HydrophobicContact CB-CB 4.41Å; D106-I120 HydrophobicContact CB-CG1 4Å; D106-I120 PolarHBondContact O-N 3.18Å
107	V	95.8	Very high	94.1	Very high	88 Å²	88	74.2 Å²	74.2	53%	0.533	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124	-179	-175.1	0	0	0	0	109.6	G105 T117	G105-V107 PolarHBondContact O-N 2.94Å; V107-T117 HydrophobicContact CG1-CG2 3.74Å
108	I	93.8	Very high	93.9	Very high	9 Å²	9	74.5 Å²	74.5	5%	0.046	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.4	176.9	56.7	160	0	0	0	111	F102 T117 L118 I120 F228	F102-I108 HydrophobicContact CD1-CG2 4.19Å; F102-I108 HydrophobicContact CE1-CG2 3.54Å; F102-I108 HydrophobicContact CZ-CG2 4.17Å; I108-T117 CarbonylContact O-C 3.58Å; I108-T117 WeakPolarHBondContact O-CA 3.24Å; I108-T117 WeakPolarHBondContact O-CB 3.39Å; I108-L118 HydrophobicContact CD1-CD1 4.12Å; I108-L118 HydrophobicContact CD1-CD2 3.61Å; I108-L118 HydrophobicContact CD1-CG 3.8Å; I108-L118 HydrophobicContact CG1-CD1 4.44Å; I108-L118 HydrophobicContact CG1-CD2 3.55Å; I108-L118 HydrophobicContact CG1-CG 3.63Å; I108-L118 WeakPolarHBondContact CG1-O 3.27Å; I108-L118 PolarHBondContact N-O 2.87Å; I108-L118 PolarHBondContact O-N 2.99Å; I108-I120 HydrophobicContact CD1-CD1 3.7Å; I108-I120 HydrophobicContact CG1-CD1 4.1Å; I108-I120 HydrophobicContact CG2-CD1 4.38Å; I108-F228 HydrophobicContact CD1-CB 4.34Å; I108-F228 HydrophobicContact CD1-CD1 3.12Å; I108-F228 HydrophobicContact CD1-CE1 3.4Å; I108-F228 VanDerWaalsContact CD1-CE1 3.4Å; I108-F228 HydrophobicContact CD1-CG 3.78Å; I108-F228 HydrophobicContact CD1-CZ 4.26Å
109	H	93.2	Very high	93.8	Very high	105 Å²	105	77.9 Å²	77.9	49%	0.486	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.8	175.8	-68.7	-94.1	0	0	0	111.2	V111 R114 R116	H109-V111 PolarHBondContact O-N 2.7Å; H109-R114 PolarHBondContact ND1-O 3.18Å; H109-R116 WeakPolarHBondContact CA-O 3.47Å
110	Y	92.8	Very high	93.8	Very high	6 Å²	6	75.4 Å²	75.4	2%	0.024	38%	0.382	C	S	.	.			trans	-63.3	138.8	171.3	-70.2	-82.4	0	0	0	110.8	L112 D113 R114 R116 T117 L118 F228 V230 K231 E234	Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 2.83Å; Y110-D113 CarbonylContact O-C 3.6Å; Y110-D113 PolarHBondContact O-N 2.86Å; Y110-R114 PolarHBondContact O-N 2.79Å; Y110-R116 HydrophobicContact CD2-CB 3.66Å; Y110-R116 HydrophobicContact CE2-CB 4.13Å; Y110-R116 PolarHBondContact N-O 2.75Å; Y110-R116 VanDerWaalsContact N-O 3.07Å; Y110-T117 WeakPolarHBondContact CE2-O 3.34Å; Y110-L118 HydrophobicContact CD1-CD2 3.89Å; Y110-L118 HydrophobicContact CD2-CD2 4.2Å; Y110-L118 HydrophobicContact CE1-CD2 3.68Å; Y110-L118 HydrophobicContact CE2-CB 4.21Å; Y110-L118 HydrophobicContact CE2-CD2 4Å; Y110-L118 HydrophobicContact CG-CD2 4.15Å; Y110-F228 CarbonylContact C-O 3.17Å; Y110-F228 WeakPolarHBondContact CA-O 3.41Å; Y110-V230 VanDerWaalsContact CD1-C 3.43Å; Y110-V230 WeakPolarHBondContact CE1-O 3.29Å; Y110-K231 HydrophobicContact CD2-CB 4.23Å; Y110-K231 HydrophobicContact CE2-CB 4.06Å; Y110-K231 HydrophobicContact CE2-CG 4.33Å; Y110-E234 WeakPolarHBondContact OH-CB 3.42Å; Y110-E234 VanDerWaalsContact OH-CD 3.28Å; Y110-E234 PolarHBondContact OH-OE2 2.82Å
111	V	91.7	Very high	93.8	Very high	9 Å²	9	71.5 Å²	71.5	6%	0.055	36%	0.355	C	S	.	.	S	Bend	trans	-64.2	-36.4	-173.6	176.9	0	0	0	0	112.4	H109 F228 M229 L258 I261 H262	H109-V111 PolarHBondContact O-N 2.7Å; V111-F228 HydrophobicContact CG2-CB 4.18Å; V111-F228 WeakPolarHBondContact CG2-O 3.18Å; V111-F228 PolarHBondContact N-O 3.17Å; V111-M229 HydrophobicContact CB-CE 4.38Å; V111-M229 HydrophobicContact CB-SD 3.96Å; V111-M229 HydrophobicContact CG1-CE 4.43Å; V111-M229 HydrophobicContact CG1-SD 4.02Å; V111-M229 HydrophobicContact CG2-CE 4.04Å; V111-M229 HydrophobicContact CG2-SD 4.26Å; V111-L258 WeakPolarHBondContact CG1-O 3.41Å; V111-L258 HydrophobicContact CG2-CB 4.18Å; V111-L258 HydrophobicContact CG2-CD2 3.88Å; V111-L258 WeakPolarHBondContact CG2-O 3.13Å; V111-I261 HydrophobicContact CG1-CG2 3.39Å; V111-H262 VanDerWaalsContact CG1-NE2 3.33Å; V111-H262 WeakPolarHBondContact CG1-NE2 3.35Å; V111-H262 PolarHBondContact O-NE2 3.1Å
112	L	88.4	Confident	93.9	Very high	73 Å²	73	75.3 Å²	75.3	38%	0.382	37%	0.365	S	S	.	.	S	Bend	trans	-103.2	-8.2	-179.9	-57.3	-179	0	0	0	113.9	Y110 M229 V230 I261	Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 2.83Å; L112-M229 WeakPolarHBondContact CB-O 3.16Å; L112-M229 PolarHBondContact N-O 3.45Å; L112-V230 HydrophobicContact CB-CG1 4.29Å; L112-V230 HydrophobicContact CD1-CG1 3.84Å; L112-I261 HydrophobicContact CD2-CG2 4.45Å
113	D	88	Confident	94	Very high	57 Å²	57	76 Å²	76	31%	0.305	37%	0.371	S	S	.	.			trans	-136.2	77.2	174.2	-173.5	-1.5	0	0	0	110.1	Y110 R115 R116	Y110-D113 CarbonylContact O-C 3.6Å; Y110-D113 PolarHBondContact O-N 2.86Å; D113-R115 PolarHBondContact O-N 3.19Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R116 PolarHBondContact O-N 3.4Å; D113-R116 WeakPolarHBondContact OD2-CG 3.34Å
114	R	87.1	Confident	94	Very high	177 Å²	177	69.1 Å²	69.1	67%	0.668	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.8	-174.8	-66.5	-172.5	178.2	-172.6	-1.1	114.2	H109 Y110	H109-R114 PolarHBondContact ND1-O 3.18Å; Y110-R114 PolarHBondContact O-N 2.79Å
115	R	90.1	Very high	94	Very high	234 Å²	234	68.6 Å²	68.6	88%	0.883	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.4	176.3	-63.9	-177.1	179.8	-177.2	-0.4	112.5	D113	D113-R115 PolarHBondContact O-N 3.19Å; D113-R115 PolarHBondContact OD1-N 2.83Å
116	R	92.3	Very high	94	Very high	125 Å²	125	69 Å²	69	47%	0.472	33%	0.33	S	S	.	.			trans	-114.9	147.6	-177.7	-60.2	-64	-169.4	175.6	-2.3	109.5	H109 Y110 D113 K231	H109-R116 WeakPolarHBondContact CA-O 3.47Å; Y110-R116 HydrophobicContact CD2-CB 3.66Å; Y110-R116 HydrophobicContact CE2-CB 4.13Å; Y110-R116 PolarHBondContact N-O 2.75Å; Y110-R116 VanDerWaalsContact N-O 3.07Å; D113-R116 PolarHBondContact O-N 3.4Å; D113-R116 WeakPolarHBondContact OD2-CG 3.34Å; R116-K231 HydrophobicContact CB-CD 4.33Å; R116-K231 HydrophobicContact CG-CD 3.9Å
117	T	93.2	Very high	94.1	Very high	69 Å²	69	67.3 Å²	67.3	42%	0.423	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	161.8	-179.2	54.2	0	0	0	0	111.2	V107 I108 Y110	V107-T117 HydrophobicContact CG1-CG2 3.74Å; I108-T117 CarbonylContact O-C 3.58Å; I108-T117 WeakPolarHBondContact O-CA 3.24Å; I108-T117 WeakPolarHBondContact O-CB 3.39Å; Y110-T117 WeakPolarHBondContact CE2-O 3.34Å
118	L	92.9	Very high	94.2	Very high	21 Å²	21	63.3 Å²	63.3	11%	0.11	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158	164	69.7	152.4	0	0	0	109.3	I108 Y110 F228	I108-L118 HydrophobicContact CD1-CD1 4.12Å; I108-L118 HydrophobicContact CD1-CD2 3.61Å; I108-L118 HydrophobicContact CD1-CG 3.8Å; I108-L118 HydrophobicContact CG1-CD1 4.44Å; I108-L118 HydrophobicContact CG1-CD2 3.55Å; I108-L118 HydrophobicContact CG1-CG 3.63Å; I108-L118 WeakPolarHBondContact CG1-O 3.27Å; I108-L118 PolarHBondContact N-O 2.87Å; I108-L118 PolarHBondContact O-N 2.99Å; Y110-L118 HydrophobicContact CD1-CD2 3.89Å; Y110-L118 HydrophobicContact CD2-CD2 4.2Å; Y110-L118 HydrophobicContact CE1-CD2 3.68Å; Y110-L118 HydrophobicContact CE2-CB 4.21Å; Y110-L118 HydrophobicContact CE2-CD2 4Å; Y110-L118 HydrophobicContact CG-CD2 4.15Å; L118-F228 HydrophobicContact CD1-CD1 4.2Å
119	N	95.2	Very high	94.3	Very high	100 Å²	100	64 Å²	64	54%	0.535	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	143.3	173.7	-63.7	8.1	0	0	0	109.3	D106 S121	D106-N119 CarbonylContact O-C 3.55Å; D106-N119 VanDerWaalsContact O-CA 3.3Å; D106-N119 WeakPolarHBondContact O-CA 3.25Å; N119-S121 PolarHBondContact O-N 2.98Å
120	I	96.8	Very high	94.5	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.015	31%	0.305	C	S	.	.			trans	-67.9	114.7	169.9	-60.1	-60.5	0	0	0	108.5	F102 P104 G105 D106 I108 L124 H125 F228	F102-I120 HydrophobicContact CB-CG1 4.18Å; F102-I120 HydrophobicContact CB-CG2 4.35Å; F102-I120 HydrophobicContact CD1-CD1 4.44Å; F102-I120 HydrophobicContact CD1-CG1 4.15Å; F102-I120 HydrophobicContact CG-CD1 4.31Å; F102-I120 HydrophobicContact CG-CG1 4.14Å; P104-I120 WeakPolarHBondContact CA-O 3.16Å; G105-I120 PolarHBondContact N-O 2.95Å; D106-I120 HydrophobicContact CB-CB 4.41Å; D106-I120 HydrophobicContact CB-CG1 4Å; D106-I120 PolarHBondContact O-N 3.18Å; I108-I120 HydrophobicContact CD1-CD1 3.7Å; I108-I120 HydrophobicContact CG1-CD1 4.1Å; I108-I120 HydrophobicContact CG2-CD1 4.38Å; I120-L124 HydrophobicContact CD1-CD2 4.07Å; I120-L124 HydrophobicContact CG2-CD2 4.1Å; I120-H125 HydrophobicContact CG2-CB 3.89Å; I120-F228 HydrophobicContact CD1-CE1 4.07Å; I120-F228 HydrophobicContact CD1-CZ 4.42Å
121	S	97	Very high	94.7	Very high	27 Å²	27	68.5 Å²	68.5	19%	0.189	33%	0.328	C	S	.	.			trans	-75.5	162.7	176.1	64.8	0	0	0	0	111.6	N119 D123 L124 H125 E238	N119-S121 PolarHBondContact O-N 2.98Å; S121-D123 VanDerWaalsContact C-N 3.33Å; S121-L124 VanDerWaalsContact OG-CB 3.24Å; S121-L124 WeakPolarHBondContact OG-CB 3.49Å; S121-L124 PolarHBondContact OG-N 2.9Å; S121-H125 VanDerWaalsContact O-CB 3.3Å; S121-H125 WeakPolarHBondContact O-CB 3.47Å; S121-H125 PolarHBondContact O-N 3.14Å; S121-E238 WeakPolarHBondContact CB-OE1 3.4Å; S121-E238 VanDerWaalsContact CB-OE2 3.29Å; S121-E238 WeakPolarHBondContact CB-OE2 3.27Å; S121-E238 PolarHBondContact OG-OE1 3.05Å; S121-E238 PolarHBondContact OG-OE2 3.06Å
122	H	97.8	Very high	94.9	Very high	143 Å²	143	68.4 Å²	68.4	66%	0.662	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-44	172	-77.6	-84.5	0	0	0	111.4	H125 S126	H122-H125 PolarHBondContact O-N 3.25Å; H122-S126 WeakPolarHBondContact O-CB 3.19Å; H122-S126 PolarHBondContact O-N 3.44Å
123	D	98.1	Very high	95.3	Very high	48 Å²	48	65.6 Å²	65.6	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-49.7	179.4	-74.6	11.8	0	0	0	111.2	S121 H125 S126 L127 N241 A242 L245	S121-D123 VanDerWaalsContact C-N 3.33Å; D123-H125 PolarHBondContact O-N 3.42Å; D123-S126 PolarHBondContact O-N 2.81Å; D123-S126 PolarHBondContact O-OG 3.42Å; D123-L127 PolarHBondContact O-N 3.12Å; D123-N241 HydrophobicContact CB-CB 4.06Å; D123-A242 WeakPolarHBondContact OD2-CA 3.47Å; D123-L245 HydrophobicContact CB-CD1 3.77Å
124	L	97.2	Very high	95.6	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-48.3	176.2	-172.5	149.5	0	0	0	111.4	I120 S121 S126 L127 L128 A227 F228 V237 N241 Y255	I120-L124 HydrophobicContact CD1-CD2 4.07Å; I120-L124 HydrophobicContact CG2-CD2 4.1Å; S121-L124 VanDerWaalsContact OG-CB 3.24Å; S121-L124 WeakPolarHBondContact OG-CB 3.49Å; S121-L124 PolarHBondContact OG-N 2.9Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.92Å; L124-L127 PolarHBondContact O-N 3.36Å; L124-L128 HydrophobicContact CD2-CD1 4.41Å; L124-L128 HydrophobicContact CD2-CD2 4.02Å; L124-L128 HydrophobicContact CD2-CG 4.17Å; L124-L128 PolarHBondContact O-N 3.32Å; L124-L128 VanDerWaalsContact O-N 3.14Å; L124-A227 HydrophobicContact CD1-CB 4.08Å; L124-F228 HydrophobicContact CD1-CE1 3.94Å; L124-F228 HydrophobicContact CD1-CZ 4.39Å; L124-F228 HydrophobicContact CD2-CE1 4.34Å; L124-F228 HydrophobicContact CD2-CZ 4.21Å; L124-V237 HydrophobicContact CD1-CG1 4.07Å; L124-N241 WeakPolarHBondContact CA-ND2 3.5Å; L124-N241 WeakPolarHBondContact CB-ND2 3.4Å; L124-Y255 HydrophobicContact CD1-CE1 4.35Å; L124-Y255 HydrophobicContact CG-CE1 4.29Å
125	H	97.9	Very high	96.1	Very high	36 Å²	36	59.7 Å²	59.7	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-39.3	179.4	177.1	-92.4	0	0	0	112.3	K99 F102 P104 I120 S121 H122 D123 L127 L128	K99-H125 WeakPolarHBondContact CG-NE2 3.42Å; F102-H125 PolarHBondContact O-CD2 3.06Å; F102-H125 PolarHBondContact O-NE2 2.82Å; P104-H125 HydrophobicContact CG-CB 4.02Å; I120-H125 HydrophobicContact CG2-CB 3.89Å; S121-H125 VanDerWaalsContact O-CB 3.3Å; S121-H125 WeakPolarHBondContact O-CB 3.47Å; S121-H125 PolarHBondContact O-N 3.14Å; H122-H125 PolarHBondContact O-N 3.25Å; D123-H125 PolarHBondContact O-N 3.42Å; H125-L127 PolarHBondContact O-N 2.69Å; H125-L128 WeakPolarHBondContact O-CB 3.5Å; H125-L128 PolarHBondContact O-N 3.32Å
126	S	97.8	Very high	96.3	Very high	51 Å²	51	54.9 Å²	54.9	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-29.8	179	76.7	0	0	0	0	113.1	H122 D123 L124 L245	H122-S126 WeakPolarHBondContact O-CB 3.19Å; H122-S126 PolarHBondContact O-N 3.44Å; D123-S126 PolarHBondContact O-N 2.81Å; D123-S126 PolarHBondContact O-OG 3.42Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 2.92Å; S126-L245 WeakPolarHBondContact OG-CD1 3.26Å
127	L	98	Very high	96.5	Very high	26 Å²	26	55.6 Å²	55.6	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-89.6	-15.6	180	-70.1	175.7	0	0	0	112.8	D123 L124 H125 N241 I244 L245 T253 Y255	D123-L127 PolarHBondContact O-N 3.12Å; L124-L127 PolarHBondContact O-N 3.36Å; H125-L127 PolarHBondContact O-N 2.69Å; L127-N241 HydrophobicContact CD1-CB 3.55Å; L127-I244 HydrophobicContact CD1-CB 4.34Å; L127-I244 HydrophobicContact CD1-CD1 4.45Å; L127-I244 HydrophobicContact CD1-CG2 4.29Å; L127-I244 HydrophobicContact CD2-CG2 3.83Å; L127-L245 HydrophobicContact CD1-CD1 4.49Å; L127-L245 HydrophobicContact CD1-CG 4.25Å; L127-L245 HydrophobicContact CD2-CD2 3.67Å; L127-L245 HydrophobicContact CD2-CG 4.13Å; L127-L245 HydrophobicContact CG-CD1 4.44Å; L127-L245 HydrophobicContact CG-CD2 4.03Å; L127-L245 HydrophobicContact CG-CG 4.18Å; L127-T253 HydrophobicContact CB-CG2 4.36Å; L127-T253 HydrophobicContact CD1-CG2 4.46Å; L127-T253 HydrophobicContact CD2-CG2 4.34Å; L127-T253 PolarHBondContact O-OG1 3.14Å; L127-Y255 HydrophobicContact CB-CE2 4.22Å
128	L	98.1	Very high	96.6	Very high	5 Å²	5	60 Å²	60	3%	0.026	29%	0.294	C	S	.	.	S	Bend	trans	-55.2	133	174.5	-69.7	-178.4	0	0	0	110.6	V97 K99 F102 L124 H125 Y255	V97-L128 HydrophobicContact CG2-CD2 3.62Å; K99-L128 HydrophobicContact CB-CB 4.02Å; K99-L128 HydrophobicContact CG-CB 4.34Å; F102-L128 HydrophobicContact CB-CD1 4.38Å; F102-L128 HydrophobicContact CD2-CD1 4.08Å; L124-L128 HydrophobicContact CD2-CD1 4.41Å; L124-L128 HydrophobicContact CD2-CD2 4.02Å; L124-L128 HydrophobicContact CD2-CG 4.17Å; L124-L128 PolarHBondContact O-N 3.32Å; L124-L128 VanDerWaalsContact O-N 3.14Å; H125-L128 WeakPolarHBondContact O-CB 3.5Å; H125-L128 PolarHBondContact O-N 3.32Å; L128-Y255 HydrophobicContact CD2-CD2 3.52Å; L128-Y255 HydrophobicContact CD2-CE2 4.11Å; L128-Y255 HydrophobicContact CD2-CG 4.08Å
129	P	97.6	Very high	96.9	Very high	22 Å²	22	60.9 Å²	60.9	14%	0.143	30%	0.298	C	S	.	.			trans	-72.1	146.3	179.7	32.1	-36.8	0	0	0	110.6	S96 V98 K99 V131	S96-P129 WeakPolarHBondContact OG-CD 3.43Å; S96-P129 WeakPolarHBondContact OG-CG 3.33Å; V98-P129 CarbonylContact C-O 3.44Å; V98-P129 WeakPolarHBondContact CA-O 3.28Å; V98-P129 VanDerWaalsContact CB-O 3.3Å; V98-P129 WeakPolarHBondContact CB-O 3.35Å; K99-P129 PolarHBondContact N-O 3.15Å; P129-V131 VanDerWaalsContact C-N 3.3Å; P129-V131 WeakPolarHBondContact CB-O 3.42Å; P129-V131 PolarHBondContact O-N 2.92Å
130	E	97.3	Very high	97	Very high	122 Å²	122	63.7 Å²	63.7	57%	0.57	31%	0.305	S	S	*	.	S	Bend	trans	-67.6	-34.1	175.4	-59.1	-62.1	168.8	0	0	111.5	K99	K99-E130 WeakPolarHBondContact CD-OE1 3.33Å; K99-E130 IonicContact NZ-OE1 3.66Å; K99-E130 PolarHBondContact NZ-OE1 3.25Å; K99-E130 VanDerWaalsContact NZ-OE1 3.09Å
131	V	96.4	Very high	97.1	Very high	84 Å²	84	65.3 Å²	65.3	51%	0.509	32%	0.315	S	S	.	.	S	Bend	trans	-135.7	151	174.8	-64.7	0	0	0	0	109.8	P129 K135	P129-V131 VanDerWaalsContact C-N 3.3Å; P129-V131 WeakPolarHBondContact CB-O 3.42Å; P129-V131 PolarHBondContact O-N 2.92Å; V131-K135 HydrophobicContact CB-CD 4.25Å
132	S	96.1	Very high	97.2	Very high	8 Å²	8	64 Å²	64	6%	0.056	31%	0.306	C	S	.	.			trans	-55	134.4	178.7	174.4	0	0	0	0	111.8	E92 M134 K135	E92-S132 WeakPolarHBondContact O-CB 3.4Å; E92-S132 PolarHBondContact O-OG 3.43Å; S132-M134 PolarHBondContact O-N 3.01Å; S132-M134 PolarHBondContact OG-N 3.11Å; S132-K135 VanDerWaalsContact O-CB 3.3Å; S132-K135 WeakPolarHBondContact O-CB 3.48Å; S132-K135 PolarHBondContact O-N 3.21Å
133	P	95.8	Very high	97.3	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.091	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.3	176.5	-27.1	35.8	0	0	0	114	V222 A254	P133-V222 HydrophobicContact CB-CG1 4.43Å; P133-V222 HydrophobicContact CB-CG2 3.81Å; P133-V222 HydrophobicContact CG-CG1 4.44Å; P133-A254 HydrophobicContact CG-CB 4.15Å
134	M	95.8	Very high	97.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.025	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5.4	180	-66.9	-61.7	113.9	0	0	113.9	A91 V95 S132 N136 R137 F139 F165 F187 V222 F291	A91-M134 HydrophobicContact CB-CB 4.5Å; V95-M134 HydrophobicContact CB-CG 4.24Å; V95-M134 HydrophobicContact CG1-CG 3.96Å; V95-M134 HydrophobicContact CG2-CB 4.3Å; V95-M134 HydrophobicContact CG2-CG 3.88Å; S132-M134 PolarHBondContact O-N 3.01Å; S132-M134 PolarHBondContact OG-N 3.11Å; M134-N136 PolarHBondContact O-N 3.29Å; M134-R137 PolarHBondContact O-N 3.45Å; M134-R137 VanDerWaalsContact O-N 3.13Å; M134-R137 HydrophobicContact SD-CB 4.29Å; M134-F139 HydrophobicContact SD-CE2 4.32Å; M134-F165 HydrophobicContact CE-CE2 4.35Å; M134-F165 HydrophobicContact CE-CZ 3.79Å; M134-F165 HydrophobicContact SD-CZ 4.41Å; M134-F187 HydrophobicContact CE-CD2 4.26Å; M134-V222 HydrophobicContact CE-CG2 4.29Å; M134-F291 HydrophobicContact CG-CD1 4.32Å; M134-F291 HydrophobicContact CG-CE1 4.36Å; M134-F291 HydrophobicContact SD-CD1 4.21Å; M134-F291 HydrophobicContact SD-CD2 4.18Å; M134-F291 HydrophobicContact SD-CE1 4.31Å; M134-F291 HydrophobicContact SD-CE2 4.28Å; M134-F291 HydrophobicContact SD-CG 4.13Å; M134-F291 HydrophobicContact SD-CZ 4.34Å
135	K	95.9	Very high	97.4	Very high	104 Å²	104	54.7 Å²	54.7	45%	0.452	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	124.8	176.2	-174.7	176.5	-176.9	179.8	0	110.8	V131 S132 R137	V131-K135 HydrophobicContact CB-CD 4.25Å; S132-K135 VanDerWaalsContact O-CB 3.3Å; S132-K135 WeakPolarHBondContact O-CB 3.48Å; S132-K135 PolarHBondContact O-N 3.21Å; K135-R137 PolarHBondContact O-N 3.04Å; K135-R137 VanDerWaalsContact O-N 3.15Å
136	N	94.9	Very high	97.4	Very high	134 Å²	134	53.3 Å²	53.3	72%	0.717	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	28.5	-177.8	-59.7	-38.8	0	0	0	114.1	E92 M134	E92-N136 PolarHBondContact OE1-N 3.33Å; M134-N136 PolarHBondContact O-N 3.29Å
137	R	96	Very high	97.4	Very high	139 Å²	139	51.6 Å²	51.6	53%	0.525	24%	0.243	S	C	.	.			trans	-100.3	133.2	177.7	-62	-57.4	-174	167	-0.7	110.9	M134 K135 F139 F291	M134-R137 PolarHBondContact O-N 3.45Å; M134-R137 VanDerWaalsContact O-N 3.13Å; M134-R137 HydrophobicContact SD-CB 4.29Å; K135-R137 PolarHBondContact O-N 3.04Å; K135-R137 VanDerWaalsContact O-N 3.15Å; R137-F139 HydrophobicContact CB-CE2 4.04Å; R137-F139 HydrophobicContact CB-CZ 4.15Å; R137-F291 WeakPolarHBondContact O-CB 3.24Å
138	R	96.9	Very high	97.5	Very high	162 Å²	162	50.7 Å²	50.7	61%	0.611	24%	0.239	S	C	*	.			trans	-147.9	135.7	171	-169.2	169.8	175.6	-140.8	-0.2	109.5	F291 D293	R138-F291 CarbonylContact C-O 3.49Å; R138-F291 VanDerWaalsContact CA-O 3.27Å; R138-F291 WeakPolarHBondContact CA-O 3.5Å; R138-D293 IonicContact CZ-OD1 2.71Å; R138-D293 IonicContact CZ-OD2 3.43Å; R138-D293 IonicContact NE-OD1 3.61Å; R138-D293 PolarHBondContact NE-OD1 2.7Å; R138-D293 IonicContact NE-OD2 3.72Å; R138-D293 PolarHBondContact NE-OD2 3.03Å; R138-D293 VanDerWaalsContact NH2-CG 3.26Å; R138-D293 IonicContact NH2-OD1 2.91Å; R138-D293 PolarHBondContact NH2-OD1 2.88Å; R138-D293 IonicContact NH2-OD2 3.24Å; R138-D293 PolarHBondContact NH2-OD2 2.94Å
139	F	98.4	Very high	97.5	Very high	40 Å²	40	50.7 Å²	50.7	18%	0.175	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.7	-175.9	-54.3	-79.1	0	0	0	109.9	M134 R137 N164 F165 F291 C292 D293	M134-F139 HydrophobicContact SD-CE2 4.32Å; R137-F139 HydrophobicContact CB-CE2 4.04Å; R137-F139 HydrophobicContact CB-CZ 4.15Å; F139-N164 HydrophobicContact CB-CB 4.39Å; F139-F165 HydrophobicContact CB-CB 4.04Å; F139-F165 HydrophobicContact CD1-CB 3.92Å; F139-F165 HydrophobicContact CD1-CD2 4.06Å; F139-F165 HydrophobicContact CD1-CG 4.27Å; F139-F165 HydrophobicContact CD2-CB 3.91Å; F139-F165 HydrophobicContact CD2-CD1 4.24Å; F139-F165 HydrophobicContact CD2-CD2 4.03Å; F139-F165 AromaticContact CD2-CG 3.82Å; F139-F165 HydrophobicContact CD2-CG 3.82Å; F139-F165 HydrophobicContact CE1-CB 4.34Å; F139-F165 AromaticContact CE1-CD2 3.61Å; F139-F165 HydrophobicContact CE1-CD2 3.61Å; F139-F165 HydrophobicContact CE1-CE2 4.2Å; F139-F165 HydrophobicContact CE1-CG 4.24Å; F139-F165 HydrophobicContact CE2-CB 4.33Å; F139-F165 HydrophobicContact CE2-CD1 4.19Å; F139-F165 AromaticContact CE2-CD2 3.57Å; F139-F165 HydrophobicContact CE2-CD2 3.57Å; F139-F165 HydrophobicContact CE2-CE1 4.35Å; F139-F165 AromaticContact CE2-CE2 3.76Å; F139-F165 HydrophobicContact CE2-CE2 3.76Å; F139-F165 AromaticContact CE2-CG 3.79Å; F139-F165 HydrophobicContact CE2-CG 3.79Å; F139-F165 HydrophobicContact CE2-CZ 4.15Å; F139-F165 HydrophobicContact CG-CB 3.68Å; F139-F165 HydrophobicContact CG-CD2 4.26Å; F139-F165 HydrophobicContact CG-CG 4.06Å; F139-F165 AromaticContact CZ-CD2 3.34Å; F139-F165 HydrophobicContact CZ-CD2 3.34Å; F139-F165 AromaticContact CZ-CE2 3.53Å; F139-F165 HydrophobicContact CZ-CE2 3.53Å; F139-F165 HydrophobicContact CZ-CG 4Å; F139-F165 HydrophobicContact CZ-CZ 4.32Å; F139-F291 AromaticContact CD2-CD2 3.96Å; F139-F291 HydrophobicContact CD2-CD2 3.96Å; F139-F291 HydrophobicContact CE2-CD2 4.17Å; F139-F291 PolarHBondContact N-O 2.98Å; F139-C292 CarbonylContact O-C 3.57Å; F139-C292 WeakPolarHBondContact O-CA 3.13Å; F139-D293 PolarHBondContact O-N 3.23Å
140	K	98.2	Very high	97.5	Very high	158 Å²	158	50.7 Å²	50.7	69%	0.687	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	-52.7	-178.3	-55.2	-179.9	175.1	-179.8	0	110.4	N164 D293 E294	K140-N164 VanDerWaalsContact CB-OD1 3.29Å; K140-N164 WeakPolarHBondContact CB-OD1 3.46Å; K140-N164 PolarHBondContact N-OD1 2.81Å; K140-D293 WeakPolarHBondContact O-CB 3.27Å; K140-E294 PolarHBondContact O-N 3.07Å
141	T	98.6	Very high	97.5	Very high	37 Å²	37	45.1 Å²	45.1	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.6	178.6	62.2	0	0	0	0	111.3	N164 F165 E294	T141-N164 PolarHBondContact N-OD1 3.09Å; T141-N164 WeakPolarHBondContact O-CB 3.37Å; T141-N164 PolarHBondContact O-N 2.73Å; T141-N164 PolarHBondContact OG1-N 2.99Å; T141-N164 PolarHBondContact OG1-OD1 2.99Å; T141-F165 PolarHBondContact O-N 3.32Å; T141-E294 HydrophobicContact CG2-CB 4.47Å
142	C	98.9	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.4	175.1	-66	0	0	0	0	111.9	F165 C292 E294 I295 H296	C142-F165 CarbonylContact C-O 3.56Å; C142-F165 WeakPolarHBondContact CA-O 3.29Å; C142-C292 HydrophobicContact CB-CB 3.59Å; C142-C292 WeakPolarHBondContact CB-SG 3.32Å; C142-C292 WeakPolarHBondContact SG-CB 2.88Å; C142-C292 CovalentContact SG-SG 2.01Å; C142-C292 PolarHBondContact SG-SG 2.98Å; C142-E294 PolarHBondContact N-O 3.48Å; C142-I295 WeakPolarHBondContact O-CA 3.47Å; C142-H296 PolarHBondContact O-N 3.01Å
143	A	98.9	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.2	166.4	0	0	0	0	0	109.3	V145 I160 H163 F165 V166 I167 H296 Y298	A143-V145 HydrophobicContact CB-CG2 4.42Å; A143-I160 HydrophobicContact CB-CG2 4.26Å; A143-H163 HydrophobicContact CB-CB 3.99Å; A143-H163 PolarHBondContact N-CD2 3.37Å; A143-F165 PolarHBondContact N-O 2.94Å; A143-V166 HydrophobicContact CB-CG1 4.38Å; A143-V166 HydrophobicContact CB-CG2 4.32Å; A143-V166 WeakPolarHBondContact O-CA 3.48Å; A143-I167 PolarHBondContact O-N 3.27Å; A143-H296 CarbonylContact C-O 3.52Å; A143-H296 WeakPolarHBondContact CA-O 3.47Å; A143-Y298 HydrophobicContact CB-CD2 4.12Å; A143-Y298 HydrophobicContact CB-CE2 3.9Å
144	V	98.9	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.4	166.6	-172.4	0	0	0	0	107.7	I167 M284 A288 I295 H296 L297 Y298 F300	V144-I167 HydrophobicContact CG1-CB 4.41Å; V144-I167 HydrophobicContact CG2-CB 4.33Å; V144-I167 HydrophobicContact CG2-CD1 4.11Å; V144-M284 HydrophobicContact CG1-CB 3.85Å; V144-A288 HydrophobicContact CG2-CB 4.24Å; V144-I295 HydrophobicContact CG2-CG2 3.94Å; V144-H296 PolarHBondContact N-O 3.43Å; V144-L297 HydrophobicContact CB-CD2 3.61Å; V144-L297 HydrophobicContact CG1-CD2 4.37Å; V144-L297 HydrophobicContact CG2-CD2 4.03Å; V144-L297 WeakPolarHBondContact O-CA 3.36Å; V144-Y298 PolarHBondContact O-N 2.77Å; V144-F300 HydrophobicContact CB-CE2 4.46Å; V144-F300 HydrophobicContact CG1-CE2 4.13Å; V144-F300 HydrophobicContact CG1-CZ 3.96Å; V144-F300 WeakPolarHBondContact O-CE2 3.45Å
145	V	98.9	Very high	97.7	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	107.6	-173.8	-169	0	0	0	0	108.8	A143 L151 I160 V166 I167 R168	A143-V145 HydrophobicContact CB-CG2 4.42Å; V145-L151 HydrophobicContact CG1-CD1 3.97Å; V145-I160 HydrophobicContact CG2-CD1 4.31Å; V145-I160 HydrophobicContact CG2-CG1 4.5Å; V145-I160 HydrophobicContact CG2-CG2 3.83Å; V145-V166 HydrophobicContact CG2-CG1 4.07Å; V145-I167 PolarHBondContact N-O 2.87Å; V145-R168 HydrophobicContact CB-CG 4.38Å
146	G	98.6	Very high	97.8	Very high	6 Å²	6	46.5 Å²	46.5	6%	0.062	22%	0.219	C	C	.	.			trans	-75.6	175.3	165.8	0	0	0	0	0	111.3	Y298 G299	G146-Y298 PolarHBondContact N-O 3.48Å; G146-G299 CarbonylContact C-O 3.49Å
147	N	98.4	Very high	97.9	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.08	19%	0.186	C	C	.	.			trans	-102.1	3.5	-169.3	-67.4	4	0	0	0	113.7	C169 H315 Y316 Y317	N147-C169 PolarHBondContact ND2-O 2.69Å; N147-C169 PolarHBondContact OD1-O 3.37Å; N147-H315 CarbonylContact O-C 3.59Å; N147-H315 WeakPolarHBondContact O-CA 3.13Å; N147-Y316 HydrophobicContact CB-CE1 4.44Å; N147-Y316 VanDerWaalsContact O-CD1 3.23Å; N147-Y316 WeakPolarHBondContact O-CD1 3.46Å; N147-Y316 PolarHBondContact O-N 3.08Å; N147-Y317 HydrophobicContact CB-CE1 3.87Å; N147-Y317 PolarHBondContact ND2-OH 3.44Å; N147-Y317 VanDerWaalsContact ND2-OH 3.1Å
148	S	98.6	Very high	98	Very high	7 Å²	7	42.7 Å²	42.7	5%	0.049	20%	0.2	C	C	.	.			trans	-59.5	144.2	-172.1	-178.1	0	0	0	0	113.1	I150 L151 G299 W301 Y314	S148-I150 PolarHBondContact O-N 3.49Å; S148-I150 PolarHBondContact OG-N 2.83Å; S148-L151 PolarHBondContact O-N 2.85Å; S148-G299 WeakPolarHBondContact CB-O 3.27Å; S148-G299 PolarHBondContact N-O 2.84Å; S148-G299 VanDerWaalsContact N-O 3.1Å; S148-W301 WeakPolarHBondContact CB-O 3.25Å; S148-W301 WeakPolarHBondContact OG-CB 3.13Å; S148-W301 PolarHBondContact OG-O 3.11Å; S148-Y314 WeakPolarHBondContact CA-O 3.46Å
149	G	98.2	Very high	98.1	Very high	6 Å²	6	35.9 Å²	35.9	6%	0.062	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63.7	-6.6	173.8	0	0	0	0	0	114.5	L151 L152 K313	G149-L151 PolarHBondContact O-N 3Å; G149-L151 VanDerWaalsContact O-N 3.14Å; G149-L152 WeakPolarHBondContact O-CB 3.49Å; G149-L152 PolarHBondContact O-N 3.32Å; G149-L152 VanDerWaalsContact O-N 3.11Å; G149-K313 WeakPolarHBondContact CA-O 3.46Å; G149-K313 PolarHBondContact N-O 3.19Å
150	I	97.8	Very high	98.1	Very high	22 Å²	22	34 Å²	34	11%	0.113	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-59.7	-18.9	171.6	-160.7	63.1	0	0	0	112.7	S148 L152 W301 D306 V312 T353	S148-I150 PolarHBondContact O-N 3.49Å; S148-I150 PolarHBondContact OG-N 2.83Å; I150-L152 VanDerWaalsContact C-N 3.32Å; I150-W301 HydrophobicContact CB-CB 3.67Å; I150-W301 HydrophobicContact CB-CG 4Å; I150-W301 HydrophobicContact CD1-CD2 4.31Å; I150-W301 HydrophobicContact CD1-CG 4.18Å; I150-W301 HydrophobicContact CG1-CB 4.03Å; I150-W301 HydrophobicContact CG1-CD2 4.41Å; I150-W301 HydrophobicContact CG1-CG 4.04Å; I150-W301 HydrophobicContact CG2-CB 3.61Å; I150-W301 HydrophobicContact CG2-CG 4.46Å; I150-D306 HydrophobicContact CD1-CB 3.92Å; I150-V312 HydrophobicContact CB-CG1 4.27Å; I150-V312 HydrophobicContact CD1-CG2 4.07Å; I150-T353 WeakPolarHBondContact CD1-O 3.37Å; I150-T353 WeakPolarHBondContact CG1-O 3.35Å
151	L	98.3	Very high	98.1	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-74	-20.4	176.7	-70.2	173.3	0	0	0	113.4	V145 S148 G149 D153 S154 D180 V181 Y316	V145-L151 HydrophobicContact CG1-CD1 3.97Å; S148-L151 PolarHBondContact O-N 2.85Å; G149-L151 PolarHBondContact O-N 3Å; G149-L151 VanDerWaalsContact O-N 3.14Å; L151-D153 PolarHBondContact O-N 2.93Å; L151-S154 WeakPolarHBondContact O-CB 3.46Å; L151-S154 PolarHBondContact O-N 3.12Å; L151-S154 VanDerWaalsContact O-N 3.13Å; L151-S154 PolarHBondContact O-OG 2.93Å; L151-D180 WeakPolarHBondContact O-CB 3.44Å; L151-V181 HydrophobicContact CB-CG1 4.04Å; L151-V181 HydrophobicContact CD1-CG1 3.83Å; L151-V181 HydrophobicContact CG-CG1 4.48Å; L151-Y316 HydrophobicContact CD1-CD1 3.95Å; L151-Y316 HydrophobicContact CD1-CE1 4.19Å
152	L	97.8	Very high	98.1	Very high	55 Å²	55	30 Å²	30	29%	0.288	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131.4	-178.9	-67.5	172.5	0	0	0	110.8	G149 I150 S154 F177 K313	G149-L152 WeakPolarHBondContact O-CB 3.49Å; G149-L152 PolarHBondContact O-N 3.32Å; G149-L152 VanDerWaalsContact O-N 3.11Å; I150-L152 VanDerWaalsContact C-N 3.32Å; L152-S154 PolarHBondContact O-N 2.85Å; L152-F177 HydrophobicContact CD2-CD1 3.96Å; L152-F177 HydrophobicContact CD2-CE1 4.05Å; L152-K313 HydrophobicContact CD1-CD 4.4Å
153	D	96	Very high	98.1	Very high	99 Å²	99	30.3 Å²	30.3	53%	0.529	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	22.3	-176	-46.9	-49	0	0	0	114	L151 D180 K310 K355	L151-D153 PolarHBondContact O-N 2.93Å; D153-D180 WeakPolarHBondContact CA-OD1 3.24Å; D153-D180 VanDerWaalsContact N-CG 3.34Å; D153-D180 PolarHBondContact N-OD1 3.18Å; D153-D180 PolarHBondContact N-OD2 3.45Å; D153-K310 IonicContact OD2-NZ 2.75Å; D153-K355 VanDerWaalsContact O-CE 3.27Å; D153-K355 WeakPolarHBondContact O-CE 3.43Å
154	S	96.3	Very high	98	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	18%	0.178	C	C	.	.			trans	-83.3	-21.7	-179.7	68.6	0	0	0	0	113.5	L151 L152 C156 D180 K355 C356	L151-S154 WeakPolarHBondContact O-CB 3.46Å; L151-S154 PolarHBondContact O-N 3.12Å; L151-S154 VanDerWaalsContact O-N 3.13Å; L151-S154 PolarHBondContact O-OG 2.93Å; L152-S154 PolarHBondContact O-N 2.85Å; S154-C156 PolarHBondContact O-N 2.89Å; S154-C156 VanDerWaalsContact O-N 3.13Å; S154-C156 PolarHBondContact OG-N 3.4Å; S154-D180 PolarHBondContact N-OD1 2.8Å; S154-K355 CarbonylContact O-C 3.47Å; S154-K355 VanDerWaalsContact O-CA 3.3Å; S154-K355 WeakPolarHBondContact O-CA 3.29Å; S154-C356 PolarHBondContact O-N 2.82Å
155	E	96.9	Very high	98	Very high	87 Å²	87	34.2 Å²	34.2	41%	0.407	18%	0.179	S	C	.	.			trans	56.6	21.6	-174.5	-59.7	179.4	-138.3	0	0	113.6	G157 A179 D180 K358	E155-G157 VanDerWaalsContact C-N 3.25Å; E155-G157 PolarHBondContact O-N 2.81Å; E155-A179 CarbonylContact C-O 3.6Å; E155-A179 VanDerWaalsContact C-O 3.24Å; E155-A179 WeakPolarHBondContact CA-O 3.27Å; E155-D180 PolarHBondContact N-OD1 2.73Å; E155-K358 WeakPolarHBondContact OE2-CE 3.26Å; E155-K358 IonicContact OE2-NZ 3.02Å
156	C	98	Very high	98	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5	-176	-75.8	0	0	0	0	114.9	S154 K158 E159 I160 D180 Y298 C356	S154-C156 PolarHBondContact O-N 2.89Å; S154-C156 VanDerWaalsContact O-N 3.13Å; S154-C156 PolarHBondContact OG-N 3.4Å; C156-K158 PolarHBondContact O-N 2.77Å; C156-E159 PolarHBondContact O-N 3.23Å; C156-E159 VanDerWaalsContact O-N 3.16Å; C156-I160 HydrophobicContact CB-CD1 4.03Å; C156-I160 HydrophobicContact CB-CG1 4.44Å; C156-I160 WeakPolarHBondContact O-CG1 3.47Å; C156-I160 PolarHBondContact O-N 3.5Å; C156-D180 CarbonylContact C-O 3.56Å; C156-D180 WeakPolarHBondContact CB-O 3.44Å; C156-Y298 HydrophobicContact CB-CD1 4.25Å; C156-Y298 HydrophobicContact CB-CE1 4.47Å; C156-C356 WeakPolarHBondContact CA-SG 3.33Å; C156-C356 HydrophobicContact CB-CB 3.88Å; C156-C356 WeakPolarHBondContact CB-SG 3.34Å; C156-C356 WeakPolarHBondContact SG-CB 3.46Å; C156-C356 PolarHBondContact SG-N 2.83Å; C156-C356 VanDerWaalsContact SG-N 3.4Å; C156-C356 CovalentContact SG-SG 2.04Å; C156-C356 PolarHBondContact SG-SG 2.82Å
157	G	98.3	Very high	98.1	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-40.4	-169.6	0	0	0	0	0	114.3	E155 I160 D161 A178 A179 D180	E155-G157 VanDerWaalsContact C-N 3.25Å; E155-G157 PolarHBondContact O-N 2.81Å; G157-I160 PolarHBondContact O-N 2.82Å; G157-D161 WeakPolarHBondContact O-CB 3.49Å; G157-D161 PolarHBondContact O-N 2.65Å; G157-A178 WeakPolarHBondContact CA-O 3.44Å; G157-A179 WeakPolarHBondContact CA-O 3.04Å; G157-A179 PolarHBondContact N-O 2.76Å; G157-D180 PolarHBondContact N-O 2.96Å
158	K	97.8	Very high	98.1	Very high	189 Å²	189	33.3 Å²	33.3	82%	0.822	17%	0.173	S	C	*	.	H	α-helix	trans	-66.4	-43.2	176.5	-68.7	-177	178.5	-179.5	0	112.3	C156 D161 S162	C156-K158 PolarHBondContact O-N 2.77Å; K158-D161 PolarHBondContact O-N 3.33Å; K158-S162 PolarHBondContact O-N 3.21Å
159	E	97.8	Very high	98	Very high	19 Å²	19	33.1 Å²	33.1	9%	0.089	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-43.4	177.4	-172.7	179.4	138.6	0	0	110.5	C156 S162 H163 Y298 K350 C356	C156-E159 PolarHBondContact O-N 3.23Å; C156-E159 VanDerWaalsContact O-N 3.16Å; E159-S162 WeakPolarHBondContact O-CB 3.26Å; E159-S162 PolarHBondContact O-N 3.48Å; E159-S162 PolarHBondContact O-OG 3.4Å; E159-H163 PolarHBondContact O-CE1 3.44Å; E159-H163 PolarHBondContact O-ND1 2.91Å; E159-Y298 WeakPolarHBondContact CG-OH 3.08Å; E159-Y298 PolarHBondContact OE1-OH 3.13Å; E159-K350 IonicContact OE1-NZ 3.29Å; E159-K350 PolarHBondContact OE1-NZ 2.81Å; E159-C356 HydrophobicContact CB-CB 4.42Å; E159-C356 WeakPolarHBondContact OE2-CB 3.39Å; E159-C356 PolarHBondContact OE2-SG 2.91Å
160	I	98.6	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-50.2	176.9	-69.9	166	0	0	0	110.5	A143 V145 C156 G157 S162 H163 V166 Y298	A143-I160 HydrophobicContact CB-CG2 4.26Å; V145-I160 HydrophobicContact CG2-CD1 4.31Å; V145-I160 HydrophobicContact CG2-CG1 4.5Å; V145-I160 HydrophobicContact CG2-CG2 3.83Å; C156-I160 HydrophobicContact CB-CD1 4.03Å; C156-I160 HydrophobicContact CB-CG1 4.44Å; C156-I160 WeakPolarHBondContact O-CG1 3.47Å; C156-I160 PolarHBondContact O-N 3.5Å; G157-I160 PolarHBondContact O-N 2.82Å; I160-S162 PolarHBondContact O-N 3.46Å; I160-H163 WeakPolarHBondContact O-CB 3.39Å; I160-H163 PolarHBondContact O-N 3.01Å; I160-H163 PolarHBondContact O-ND1 2.8Å; I160-V166 HydrophobicContact CG2-CG1 3.96Å; I160-V166 HydrophobicContact CG2-CG2 4.42Å; I160-V166 WeakPolarHBondContact O-CG2 3.42Å; I160-Y298 HydrophobicContact CD1-CD1 4.15Å; I160-Y298 HydrophobicContact CD1-CD2 4.4Å; I160-Y298 HydrophobicContact CD1-CG 3.98Å; I160-Y298 HydrophobicContact CG1-CD1 3.94Å; I160-Y298 HydrophobicContact CG1-CD2 3.82Å; I160-Y298 HydrophobicContact CG1-CE1 4.1Å; I160-Y298 HydrophobicContact CG1-CE2 3.96Å; I160-Y298 HydrophobicContact CG1-CG 3.81Å
161	D	98.4	Very high	97.9	Very high	45 Å²	45	33.4 Å²	33.4	24%	0.241	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-20.5	-177.5	-74	-3.4	0	0	0	112.8	G157 K158 H163 R168 G182 T183 K184	G157-D161 WeakPolarHBondContact O-CB 3.49Å; G157-D161 PolarHBondContact O-N 2.65Å; K158-D161 PolarHBondContact O-N 3.33Å; D161-H163 VanDerWaalsContact C-N 3.25Å; D161-H163 PolarHBondContact O-N 3.13Å; D161-R168 IonicContact OD1-NH2 2.74Å; D161-G182 WeakPolarHBondContact OD1-CA 3.35Å; D161-T183 VanDerWaalsContact CG-N 3.33Å; D161-T183 PolarHBondContact OD1-N 3.42Å; D161-T183 PolarHBondContact OD2-N 3.34Å; D161-T183 PolarHBondContact OD2-OG1 2.98Å; D161-T183 VanDerWaalsContact OD2-OG1 3.11Å; D161-K184 HydrophobicContact CB-CB 4.15Å; D161-K184 WeakPolarHBondContact OD1-CB 3.32Å; D161-K184 PolarHBondContact OD1-N 2.79Å; D161-K184 PolarHBondContact OD2-N 3.03Å
162	S	98.2	Very high	97.8	Very high	67 Å²	67	33.4 Å²	33.4	47%	0.469	17%	0.172	S	C	.	.	H	α-helix	trans	-69	-19	175.1	82	0	0	0	0	114.2	K158 E159 I160	K158-S162 PolarHBondContact O-N 3.21Å; E159-S162 WeakPolarHBondContact O-CB 3.26Å; E159-S162 PolarHBondContact O-N 3.48Å; E159-S162 PolarHBondContact O-OG 3.4Å; I160-S162 PolarHBondContact O-N 3.46Å
163	H	98.7	Very high	97.7	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.028	17%	0.165	C	C	.	.	S	Bend	trans	-68.4	149.5	-179.3	-72.5	71.4	0	0	0	111.8	A143 E159 I160 D161 F165 V166 K184 H296 Y298	A143-H163 HydrophobicContact CB-CB 3.99Å; A143-H163 PolarHBondContact N-CD2 3.37Å; E159-H163 PolarHBondContact O-CE1 3.44Å; E159-H163 PolarHBondContact O-ND1 2.91Å; I160-H163 WeakPolarHBondContact O-CB 3.39Å; I160-H163 PolarHBondContact O-N 3.01Å; I160-H163 PolarHBondContact O-ND1 2.8Å; D161-H163 VanDerWaalsContact C-N 3.25Å; D161-H163 PolarHBondContact O-N 3.13Å; H163-F165 VanDerWaalsContact C-N 3.26Å; H163-F165 PolarHBondContact O-N 3Å; H163-V166 HydrophobicContact CB-CG2 4.38Å; H163-K184 PolarHBondContact O-NZ 2.76Å; H163-H296 AromaticContact CE1-CG 3.99Å; H163-H296 AromaticContact CE1-ND1 3.86Å; H163-H296 WeakPolarHBondContact NE2-CB 3.34Å; H163-H296 AromaticContact NE2-CD2 3.62Å; H163-H296 AromaticContact NE2-CE1 3.87Å; H163-H296 AromaticContact NE2-CG 3.17Å; H163-H296 AromaticContact NE2-ND1 3.38Å; H163-H296 PolarHBondContact NE2-ND1 2.7Å; H163-Y298 PolarHBondContact CE1-OH 2.77Å; H163-Y298 VanDerWaalsContact CE1-OH 3.24Å
164	N	98.6	Very high	97.7	Very high	76 Å²	76	27.8 Å²	27.8	41%	0.406	14%	0.144	S	C	.	.	S	Bend	trans	-64.7	-33.5	179	-58.6	138.5	0	0	0	112.3	F139 K140 T141 K184	F139-N164 HydrophobicContact CB-CB 4.39Å; K140-N164 VanDerWaalsContact CB-OD1 3.29Å; K140-N164 WeakPolarHBondContact CB-OD1 3.46Å; K140-N164 PolarHBondContact N-OD1 2.81Å; T141-N164 PolarHBondContact N-OD1 3.09Å; T141-N164 WeakPolarHBondContact O-CB 3.37Å; T141-N164 PolarHBondContact O-N 2.73Å; T141-N164 PolarHBondContact OG1-N 2.99Å; T141-N164 PolarHBondContact OG1-OD1 2.99Å; N164-K184 PolarHBondContact O-NZ 2.89Å
165	F	98.7	Very high	97.6	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.5	-178.7	-163.9	-102.8	0	0	0	111.7	M134 F139 T141 C142 A143 H163 I167 D186 F187 F291	M134-F165 HydrophobicContact CE-CE2 4.35Å; M134-F165 HydrophobicContact CE-CZ 3.79Å; M134-F165 HydrophobicContact SD-CZ 4.41Å; F139-F165 HydrophobicContact CB-CB 4.04Å; F139-F165 HydrophobicContact CD1-CB 3.92Å; F139-F165 HydrophobicContact CD1-CD2 4.06Å; F139-F165 HydrophobicContact CD1-CG 4.27Å; F139-F165 HydrophobicContact CD2-CB 3.91Å; F139-F165 HydrophobicContact CD2-CD1 4.24Å; F139-F165 HydrophobicContact CD2-CD2 4.03Å; F139-F165 AromaticContact CD2-CG 3.82Å; F139-F165 HydrophobicContact CD2-CG 3.82Å; F139-F165 HydrophobicContact CE1-CB 4.34Å; F139-F165 AromaticContact CE1-CD2 3.61Å; F139-F165 HydrophobicContact CE1-CD2 3.61Å; F139-F165 HydrophobicContact CE1-CE2 4.2Å; F139-F165 HydrophobicContact CE1-CG 4.24Å; F139-F165 HydrophobicContact CE2-CB 4.33Å; F139-F165 HydrophobicContact CE2-CD1 4.19Å; F139-F165 AromaticContact CE2-CD2 3.57Å; F139-F165 HydrophobicContact CE2-CD2 3.57Å; F139-F165 HydrophobicContact CE2-CE1 4.35Å; F139-F165 AromaticContact CE2-CE2 3.76Å; F139-F165 HydrophobicContact CE2-CE2 3.76Å; F139-F165 AromaticContact CE2-CG 3.79Å; F139-F165 HydrophobicContact CE2-CG 3.79Å; F139-F165 HydrophobicContact CE2-CZ 4.15Å; F139-F165 HydrophobicContact CG-CB 3.68Å; F139-F165 HydrophobicContact CG-CD2 4.26Å; F139-F165 HydrophobicContact CG-CG 4.06Å; F139-F165 AromaticContact CZ-CD2 3.34Å; F139-F165 HydrophobicContact CZ-CD2 3.34Å; F139-F165 AromaticContact CZ-CE2 3.53Å; F139-F165 HydrophobicContact CZ-CE2 3.53Å; F139-F165 HydrophobicContact CZ-CG 4Å; F139-F165 HydrophobicContact CZ-CZ 4.32Å; T141-F165 PolarHBondContact O-N 3.32Å; C142-F165 CarbonylContact C-O 3.56Å; C142-F165 WeakPolarHBondContact CA-O 3.29Å; A143-F165 PolarHBondContact N-O 2.94Å; H163-F165 VanDerWaalsContact C-N 3.26Å; H163-F165 PolarHBondContact O-N 3Å; F165-I167 HydrophobicContact CD1-CD1 4.22Å; F165-I167 HydrophobicContact CD1-CG1 3.75Å; F165-I167 HydrophobicContact CE1-CD1 4.17Å; F165-I167 HydrophobicContact CE1-CG1 3.74Å; F165-D186 WeakPolarHBondContact CA-OD2 3.19Å; F165-D186 HydrophobicContact CD2-CB 3.41Å; F165-D186 VanDerWaalsContact CD2-CB 3.41Å; F165-D186 HydrophobicContact CE1-CB 4.45Å; F165-D186 HydrophobicContact CE2-CB 3.31Å; F165-D186 HydrophobicContact CG-CB 4.06Å; F165-D186 HydrophobicContact CZ-CB 3.88Å; F165-F187 HydrophobicContact CE1-CB 3.66Å; F165-F187 HydrophobicContact CE1-CD2 4.49Å; F165-F187 HydrophobicContact CE1-CG 4.43Å; F165-F187 HydrophobicContact CZ-CB 3.67Å; F165-F187 HydrophobicContact CZ-CD2 4.29Å; F165-F187 HydrophobicContact CZ-CG 4.46Å; F165-F291 HydrophobicContact CD1-CE2 4.13Å; F165-F291 AromaticContact CE1-CE2 3.91Å; F165-F291 HydrophobicContact CE1-CE2 3.91Å
166	V	98.9	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.5	-177.2	-175.4	0	0	0	0	110.8	A143 V145 I160 H163 R168 K184 D186 F187	A143-V166 HydrophobicContact CB-CG1 4.38Å; A143-V166 HydrophobicContact CB-CG2 4.32Å; A143-V166 WeakPolarHBondContact O-CA 3.48Å; V145-V166 HydrophobicContact CG2-CG1 4.07Å; I160-V166 HydrophobicContact CG2-CG1 3.96Å; I160-V166 HydrophobicContact CG2-CG2 4.42Å; I160-V166 WeakPolarHBondContact O-CG2 3.42Å; H163-V166 HydrophobicContact CB-CG2 4.38Å; V166-R168 HydrophobicContact CG1-CG 4.15Å; V166-K184 HydrophobicContact CB-CG 4.32Å; V166-K184 VanDerWaalsContact CG1-O 3.28Å; V166-K184 WeakPolarHBondContact CG1-O 3.33Å; V166-K184 HydrophobicContact CG2-CB 4.09Å; V166-K184 HydrophobicContact CG2-CD 3.88Å; V166-K184 HydrophobicContact CG2-CG 3.87Å; V166-D186 PolarHBondContact N-OD2 3.47Å; V166-D186 PolarHBondContact O-N 3.32Å; V166-F187 PolarHBondContact O-N 3.35Å; V166-F187 VanDerWaalsContact O-N 3.12Å
167	I	98.9	Very high	97.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.5	-180	-50.1	179.9	0	0	0	109.5	A143 V144 V145 F165 F187 M284 A288 F291	A143-I167 PolarHBondContact O-N 3.27Å; V144-I167 HydrophobicContact CG1-CB 4.41Å; V144-I167 HydrophobicContact CG2-CB 4.33Å; V144-I167 HydrophobicContact CG2-CD1 4.11Å; V145-I167 PolarHBondContact N-O 2.87Å; F165-I167 HydrophobicContact CD1-CD1 4.22Å; F165-I167 HydrophobicContact CD1-CG1 3.75Å; F165-I167 HydrophobicContact CE1-CD1 4.17Å; F165-I167 HydrophobicContact CE1-CG1 3.74Å; I167-F187 CarbonylContact C-O 3.52Å; I167-F187 VanDerWaalsContact CA-O 3.24Å; I167-F187 WeakPolarHBondContact CA-O 3.47Å; I167-F187 HydrophobicContact CG1-CB 4.25Å; I167-F187 HydrophobicContact CG2-CB 4.36Å; I167-F187 HydrophobicContact CG2-CD1 3.92Å; I167-F187 HydrophobicContact CG2-CG 4.45Å; I167-M284 HydrophobicContact CG2-CB 4Å; I167-M284 HydrophobicContact CG2-CG 3.88Å; I167-M284 HydrophobicContact CG2-SD 3.87Å; I167-A288 HydrophobicContact CD1-CB 3.83Å; I167-F291 HydrophobicContact CD1-CE2 3.84Å; I167-F291 HydrophobicContact CD1-CZ 3.87Å
168	R	98.7	Very high	97.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155.3	-179	-61.1	-167.7	-175.9	-92.9	-4.3	113.3	V145 D161 V166 V181 G182 K184 S185 F187 I188 T189	V145-R168 HydrophobicContact CB-CG 4.38Å; D161-R168 IonicContact OD1-NH2 2.74Å; V166-R168 HydrophobicContact CG1-CG 4.15Å; R168-V181 PolarHBondContact NH1-O 3.22Å; R168-V181 PolarHBondContact NH2-O 3.34Å; R168-G182 PolarHBondContact NH2-O 2.97Å; R168-K184 VanDerWaalsContact CZ-O 3.27Å; R168-K184 PolarHBondContact NE-O 3.02Å; R168-K184 PolarHBondContact NH2-O 3.25Å; R168-S185 WeakPolarHBondContact CD-OG 3.01Å; R168-S185 PolarHBondContact NE-OG 3.3Å; R168-F187 PolarHBondContact N-O 3.16Å; R168-I188 HydrophobicContact CB-CB 4.42Å; R168-I188 HydrophobicContact CB-CD1 4.01Å; R168-I188 HydrophobicContact CB-CG1 3.95Å; R168-I188 WeakPolarHBondContact O-CA 3.44Å; R168-T189 PolarHBondContact O-N 2.99Å; R168-T189 PolarHBondContact O-OG1 3.42Å
169	C	98	Very high	97.6	Very high	4 Å²	4	32 Å²	32	3%	0.027	19%	0.188	C	C	.	.	S	Bend	trans	-106.2	129.9	-174.1	-64.7	0	0	0	0	113.6	N147 L171 A172 T189 T280	N147-C169 PolarHBondContact ND2-O 2.69Å; N147-C169 PolarHBondContact OD1-O 3.37Å; C169-L171 PolarHBondContact O-N 3.3Å; C169-A172 PolarHBondContact O-N 3.12Å; C169-T189 WeakPolarHBondContact CA-OG1 3.19Å; C169-T280 HydrophobicContact CB-CG2 4.29Å
170	N	96.9	Very high	97.6	Very high	30 Å²	30	32 Å²	32	16%	0.16	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	41.5	166	-54.6	-56	0	0	0	115.9	A172 T189 N191 V194	N170-A172 PolarHBondContact O-N 2.88Å; N170-A172 VanDerWaalsContact O-N 3.16Å; N170-T189 CarbonylContact C-O 3.55Å; N170-T189 WeakPolarHBondContact CA-O 3.3Å; N170-T189 PolarHBondContact N-O 3Å; N170-T189 PolarHBondContact N-OG1 3.35Å; N170-N191 WeakPolarHBondContact OD1-CB 3.44Å; N170-V194 HydrophobicContact CB-CG2 3.9Å; N170-V194 WeakPolarHBondContact O-CG2 3.48Å
171	L	96.4	Very high	97.6	Very high	4 Å²	4	32 Å²	32	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	30.8	176.4	-139.8	84.6	0	0	0	114.4	C169 I188 T189 M190 V194 F199 F211 R214 L215 L218 L223	C169-L171 PolarHBondContact O-N 3.3Å; L171-I188 HydrophobicContact CD1-CD1 4.22Å; L171-I188 HydrophobicContact CD1-CG1 4.34Å; L171-I188 HydrophobicContact CD1-CG2 4.33Å; L171-T189 PolarHBondContact N-O 3.32Å; L171-M190 HydrophobicContact CB-CG 4.27Å; L171-M190 HydrophobicContact CD1-CB 4.15Å; L171-M190 HydrophobicContact CD1-CG 4.26Å; L171-V194 HydrophobicContact CB-CG1 4.16Å; L171-F199 HydrophobicContact CD2-CE2 4.06Å; L171-F199 HydrophobicContact CD2-CZ 4.16Å; L171-F211 HydrophobicContact CD2-CD2 4.16Å; L171-F211 HydrophobicContact CD2-CE2 3.78Å; L171-R214 HydrophobicContact CD2-CB 4.39Å; L171-R214 HydrophobicContact CD2-CG 3.6Å; L171-R214 HydrophobicContact CG-CG 3.91Å; L171-R214 PolarHBondContact O-NH1 3.1Å; L171-L215 HydrophobicContact CD1-CD2 3.78Å; L171-L215 HydrophobicContact CD2-CD2 4.1Å; L171-L218 HydrophobicContact CD1-CD1 4.39Å; L171-L223 HydrophobicContact CD1-CD1 3.67Å
172	A	96.3	Very high	97.6	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.033	18%	0.178	C	C	.	.			trans	-57.4	142.2	-177.9	0	0	0	0	0	112.1	C169 N170 Y316 Y317	C169-A172 PolarHBondContact O-N 3.12Å; N170-A172 PolarHBondContact O-N 2.88Å; N170-A172 VanDerWaalsContact O-N 3.16Å; A172-Y316 HydrophobicContact CB-CE1 4.47Å; A172-Y316 WeakPolarHBondContact CB-OH 3.45Å; A172-Y317 HydrophobicContact CB-CD1 4.04Å; A172-Y317 HydrophobicContact CB-CE1 3.5Å
173	P	95.8	Very high	97.6	Very high	19 Å²	19	30.5 Å²	30.5	12%	0.123	18%	0.179	C	C	.	.			trans	-63.5	148.9	174.9	27.2	-33.8	0	0	0	111.5	F177 R214 Y316 Y317	P173-F177 HydrophobicContact CB-CD2 4.44Å; P173-F177 HydrophobicContact CB-CE2 4.4Å; P173-F177 HydrophobicContact CG-CD2 4.33Å; P173-F177 HydrophobicContact CG-CE2 4.05Å; P173-R214 VanDerWaalsContact N-NH1 3.18Å; P173-Y316 WeakPolarHBondContact O-CE2 3.47Å; P173-Y316 PolarHBondContact O-OH 2.94Å; P173-Y317 HydrophobicContact CG-CD1 4.03Å; P173-Y317 HydrophobicContact CG-CD2 4.01Å; P173-Y317 HydrophobicContact CG-CG 3.51Å
174	V	96.5	Very high	97.5	Very high	17 Å²	17	33.2 Å²	33.2	10%	0.103	19%	0.191	C	C	.	.			trans	-131.5	-32.3	-177.2	-61.6	0	0	0	0	112.9	E176 F177 A178 V181	V174-E176 PolarHBondContact O-N 3.32Å; V174-F177 CarbonylContact O-C 3.53Å; V174-F177 PolarHBondContact O-N 3.23Å; V174-F177 VanDerWaalsContact O-N 3.12Å; V174-A178 WeakPolarHBondContact O-CA 3.39Å; V174-A178 PolarHBondContact O-N 3.47Å; V174-V181 HydrophobicContact CB-CG2 4.23Å; V174-V181 HydrophobicContact CG1-CG2 4.24Å
175	V	94.3	Very high	97.4	Very high	86 Å²	86	30.6 Å²	30.6	52%	0.521	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-62.2	-47.7	-171.6	176.6	0	0	0	0	111	F177 A178 M217	V175-F177 PolarHBondContact O-N 2.97Å; V175-A178 PolarHBondContact O-N 3Å; V175-M217 HydrophobicContact CG2-CE 4.27Å; V175-M217 HydrophobicContact CG2-SD 4.05Å
176	E	95.8	Very high	97.4	Very high	132 Å²	132	32.2 Å²	32.2	62%	0.617	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-72.4	-13.7	-178.2	-51	86.1	167.4	0	0	112.6	V174	V174-E176 PolarHBondContact O-N 3.32Å
177	F	98.1	Very high	97.4	Very high	49 Å²	49	32.3 Å²	32.3	22%	0.215	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-121.1	15.3	-174.9	-56.7	-81.6	0	0	0	112.1	L152 P173 V174 V175 A179 D180 V181 Y316	L152-F177 HydrophobicContact CD2-CD1 3.96Å; L152-F177 HydrophobicContact CD2-CE1 4.05Å; P173-F177 HydrophobicContact CB-CD2 4.44Å; P173-F177 HydrophobicContact CB-CE2 4.4Å; P173-F177 HydrophobicContact CG-CD2 4.33Å; P173-F177 HydrophobicContact CG-CE2 4.05Å; V174-F177 CarbonylContact O-C 3.53Å; V174-F177 PolarHBondContact O-N 3.23Å; V174-F177 VanDerWaalsContact O-N 3.12Å; V175-F177 PolarHBondContact O-N 2.97Å; F177-A179 PolarHBondContact O-N 2.84Å; F177-A179 VanDerWaalsContact O-N 3.12Å; F177-D180 PolarHBondContact O-N 3.15Å; F177-V181 HydrophobicContact CB-CG1 4.19Å; F177-V181 HydrophobicContact CB-CG2 3.82Å; F177-V181 WeakPolarHBondContact O-CG2 3.14Å; F177-V181 PolarHBondContact O-N 3.36Å; F177-Y316 HydrophobicContact CB-CD2 4.12Å; F177-Y316 HydrophobicContact CB-CE2 4.03Å; F177-Y316 AromaticContact CD1-CD2 3.91Å; F177-Y316 HydrophobicContact CD1-CD2 3.91Å; F177-Y316 AromaticContact CD2-CD2 3.89Å; F177-Y316 HydrophobicContact CD2-CD2 3.89Å; F177-Y316 AromaticContact CD2-CE2 3.75Å; F177-Y316 HydrophobicContact CD2-CE2 3.75Å; F177-Y316 HydrophobicContact CE1-CD2 4.32Å; F177-Y316 VanDerWaalsContact CE1-O 3.23Å; F177-Y316 WeakPolarHBondContact CE1-O 3.28Å; F177-Y316 HydrophobicContact CE2-CD2 4.3Å; F177-Y316 HydrophobicContact CE2-CE2 4.39Å; F177-Y316 AromaticContact CG-CD2 3.68Å; F177-Y316 HydrophobicContact CG-CD2 3.68Å; F177-Y316 AromaticContact CG-CE2 3.84Å; F177-Y316 HydrophobicContact CG-CE2 3.84Å
178	A	98.1	Very high	97.4	Very high	33 Å²	33	32.4 Å²	32.4	27%	0.273	19%	0.188	S	C	.	.	H	α-helix	trans	-58.2	-33.7	-166.8	0	0	0	0	0	113.4	G157 V174 V175 D180 G182 T183	G157-A178 WeakPolarHBondContact CA-O 3.44Å; V174-A178 WeakPolarHBondContact O-CA 3.39Å; V174-A178 PolarHBondContact O-N 3.47Å; V175-A178 PolarHBondContact O-N 3Å; A178-D180 PolarHBondContact O-N 3.43Å; A178-G182 VanDerWaalsContact O-CA 3.26Å; A178-G182 WeakPolarHBondContact O-CA 3.3Å; A178-G182 PolarHBondContact O-N 3.24Å; A178-T183 HydrophobicContact CB-CG2 3.67Å
179	A	98	Very high	97.4	Very high	71 Å²	71	32.4 Å²	32.4	59%	0.587	19%	0.188	S	C	*	.	H	α-helix	trans	-59.5	-35.3	176.2	0	0	0	0	0	112.6	E155 G157 F177	E155-A179 CarbonylContact C-O 3.6Å; E155-A179 VanDerWaalsContact C-O 3.24Å; E155-A179 WeakPolarHBondContact CA-O 3.27Å; G157-A179 WeakPolarHBondContact CA-O 3.04Å; G157-A179 PolarHBondContact N-O 2.76Å; F177-A179 PolarHBondContact O-N 2.84Å; F177-A179 VanDerWaalsContact O-N 3.12Å
180	D	98.5	Very high	97.3	Very high	18 Å²	18	32.2 Å²	32.2	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-96.2	-40.2	-175	-74.2	-30.4	0	0	0	112.7	L151 D153 S154 E155 C156 G157 F177 A178	L151-D180 WeakPolarHBondContact O-CB 3.44Å; D153-D180 WeakPolarHBondContact CA-OD1 3.24Å; D153-D180 VanDerWaalsContact N-CG 3.34Å; D153-D180 PolarHBondContact N-OD1 3.18Å; D153-D180 PolarHBondContact N-OD2 3.45Å; S154-D180 PolarHBondContact N-OD1 2.8Å; E155-D180 PolarHBondContact N-OD1 2.73Å; C156-D180 CarbonylContact C-O 3.56Å; C156-D180 WeakPolarHBondContact CB-O 3.44Å; G157-D180 PolarHBondContact N-O 2.96Å; F177-D180 PolarHBondContact O-N 3.15Å; A178-D180 PolarHBondContact O-N 3.43Å
181	V	98.4	Very high	97.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-112.6	-7.8	-169.5	-46.5	0	0	0	0	113.6	L151 R168 V174 F177 Y316	L151-V181 HydrophobicContact CB-CG1 4.04Å; L151-V181 HydrophobicContact CD1-CG1 3.83Å; L151-V181 HydrophobicContact CG-CG1 4.48Å; R168-V181 PolarHBondContact NH1-O 3.22Å; R168-V181 PolarHBondContact NH2-O 3.34Å; V174-V181 HydrophobicContact CB-CG2 4.23Å; V174-V181 HydrophobicContact CG1-CG2 4.24Å; F177-V181 HydrophobicContact CB-CG1 4.19Å; F177-V181 HydrophobicContact CB-CG2 3.82Å; F177-V181 WeakPolarHBondContact O-CG2 3.14Å; F177-V181 PolarHBondContact O-N 3.36Å; V181-Y316 HydrophobicContact CG1-CD1 4.25Å; V181-Y316 HydrophobicContact CG1-CD2 4.18Å; V181-Y316 HydrophobicContact CG1-CE1 4.1Å; V181-Y316 HydrophobicContact CG1-CE2 4.02Å; V181-Y316 HydrophobicContact CG1-CG 4.3Å; V181-Y316 HydrophobicContact CG2-CE2 4.29Å
182	G	98.1	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.			trans	72.3	176.7	-176.1	0	0	0	0	0	112.2	D161 R168 A178	D161-G182 WeakPolarHBondContact OD1-CA 3.35Å; R168-G182 PolarHBondContact NH2-O 2.97Å; A178-G182 VanDerWaalsContact O-CA 3.26Å; A178-G182 WeakPolarHBondContact O-CA 3.3Å; A178-G182 PolarHBondContact O-N 3.24Å
183	T	97.2	Very high	96.7	Very high	80 Å²	80	34.7 Å²	34.7	49%	0.491	20%	0.203	S	C	.	.	S	Bend	trans	-114.5	-24.5	-178.7	59.7	0	0	0	0	112.9	D161 A178 S185	D161-T183 VanDerWaalsContact CG-N 3.33Å; D161-T183 PolarHBondContact OD1-N 3.42Å; D161-T183 PolarHBondContact OD2-N 3.34Å; D161-T183 PolarHBondContact OD2-OG1 2.98Å; D161-T183 VanDerWaalsContact OD2-OG1 3.11Å; A178-T183 HydrophobicContact CB-CG2 3.67Å; T183-S185 PolarHBondContact O-N 3.41Å
184	K	97.6	Very high	96.6	Very high	64 Å²	64	34 Å²	34	28%	0.278	20%	0.199	S	C	.	.			trans	-64.5	132.4	-177.6	-174.3	174	175.3	179.6	0	110.3	D161 H163 N164 V166 R168 D186	D161-K184 HydrophobicContact CB-CB 4.15Å; D161-K184 WeakPolarHBondContact OD1-CB 3.32Å; D161-K184 PolarHBondContact OD1-N 2.79Å; D161-K184 PolarHBondContact OD2-N 3.03Å; H163-K184 PolarHBondContact O-NZ 2.76Å; N164-K184 PolarHBondContact O-NZ 2.89Å; V166-K184 HydrophobicContact CB-CG 4.32Å; V166-K184 VanDerWaalsContact CG1-O 3.28Å; V166-K184 WeakPolarHBondContact CG1-O 3.33Å; V166-K184 HydrophobicContact CG2-CB 4.09Å; V166-K184 HydrophobicContact CG2-CD 3.88Å; V166-K184 HydrophobicContact CG2-CG 3.87Å; R168-K184 VanDerWaalsContact CZ-O 3.27Å; R168-K184 PolarHBondContact NE-O 3.02Å; R168-K184 PolarHBondContact NH2-O 3.25Å; K184-D186 WeakPolarHBondContact CE-OD2 3.19Å
185	S	97.3	Very high	96.5	Very high	21 Å²	21	33.2 Å²	33.2	15%	0.147	19%	0.194	C	C	.	.			trans	-142.3	125.9	174.4	-56.1	0	0	0	0	106.3	R168 T183 S221	R168-S185 WeakPolarHBondContact CD-OG 3.01Å; R168-S185 PolarHBondContact NE-OG 3.3Å; T183-S185 PolarHBondContact O-N 3.41Å; S185-S221 PolarHBondContact O-OG 2.93Å
186	D	98.2	Very high	96.4	Very high	40 Å²	40	33 Å²	33	21%	0.214	19%	0.187	C	C	.	.	S	Bend	trans	-114.8	-27.4	175	-57	-81.7	0	0	0	111.1	F165 V166 K184 V222	F165-D186 WeakPolarHBondContact CA-OD2 3.19Å; F165-D186 HydrophobicContact CD2-CB 3.41Å; F165-D186 VanDerWaalsContact CD2-CB 3.41Å; F165-D186 HydrophobicContact CE1-CB 4.45Å; F165-D186 HydrophobicContact CE2-CB 3.31Å; F165-D186 HydrophobicContact CG-CB 4.06Å; F165-D186 HydrophobicContact CZ-CB 3.88Å; V166-D186 PolarHBondContact N-OD2 3.47Å; V166-D186 PolarHBondContact O-N 3.32Å; K184-D186 WeakPolarHBondContact CE-OD2 3.19Å; D186-V222 PolarHBondContact O-N 3Å
187	F	98.7	Very high	96.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	120.5	176.6	-167.6	-71.9	0	0	0	109.3	V95 M134 F165 V166 I167 R168 T189 V222 W224 M284	V95-F187 HydrophobicContact CG1-CE2 3.81Å; V95-F187 HydrophobicContact CG1-CZ 4.17Å; M134-F187 HydrophobicContact CE-CD2 4.26Å; F165-F187 HydrophobicContact CE1-CB 3.66Å; F165-F187 HydrophobicContact CE1-CD2 4.49Å; F165-F187 HydrophobicContact CE1-CG 4.43Å; F165-F187 HydrophobicContact CZ-CB 3.67Å; F165-F187 HydrophobicContact CZ-CD2 4.29Å; F165-F187 HydrophobicContact CZ-CG 4.46Å; V166-F187 PolarHBondContact O-N 3.35Å; V166-F187 VanDerWaalsContact O-N 3.12Å; I167-F187 CarbonylContact C-O 3.52Å; I167-F187 VanDerWaalsContact CA-O 3.24Å; I167-F187 WeakPolarHBondContact CA-O 3.47Å; I167-F187 HydrophobicContact CG1-CB 4.25Å; I167-F187 HydrophobicContact CG2-CB 4.36Å; I167-F187 HydrophobicContact CG2-CD1 3.92Å; I167-F187 HydrophobicContact CG2-CG 4.45Å; R168-F187 PolarHBondContact N-O 3.16Å; F187-T189 HydrophobicContact CE1-CG2 4.08Å; F187-V222 CarbonylContact C-O 3.24Å; F187-V222 WeakPolarHBondContact CA-O 3.47Å; F187-V222 HydrophobicContact CB-CB 4.44Å; F187-V222 HydrophobicContact CD2-CB 3.65Å; F187-V222 HydrophobicContact CD2-CG1 3.67Å; F187-V222 HydrophobicContact CD2-CG2 4.18Å; F187-V222 HydrophobicContact CE2-CB 4.19Å; F187-V222 HydrophobicContact CE2-CG1 3.66Å; F187-V222 HydrophobicContact CG-CB 4.14Å; F187-V222 HydrophobicContact CG-CG1 4.36Å; F187-V222 HydrophobicContact CZ-CG1 4.35Å; F187-W224 HydrophobicContact CD1-CB 4.23Å; F187-W224 HydrophobicContact CE1-CB 3.38Å; F187-W224 AromaticContact CE1-CD1 4Å; F187-W224 HydrophobicContact CE1-CD2 4.33Å; F187-W224 AromaticContact CE1-CG 3.63Å; F187-W224 HydrophobicContact CE1-CG 3.63Å; F187-W224 HydrophobicContact CE2-CB 4.44Å; F187-W224 HydrophobicContact CZ-CB 3.53Å; F187-W224 AromaticContact CZ-CD1 3.34Å; F187-W224 HydrophobicContact CZ-CD2 4.36Å; F187-W224 AromaticContact CZ-CG 3.47Å; F187-W224 HydrophobicContact CZ-CG 3.47Å; F187-W224 VanDerWaalsContact CZ-CG 3.47Å; F187-M284 HydrophobicContact CD1-SD 4.23Å; F187-M284 HydrophobicContact CE1-SD 3.69Å
188	I	98.4	Very high	95.8	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.1	180	-168.8	159.9	0	0	0	110.5	R168 L171 L218 V222 L223 W224	R168-I188 HydrophobicContact CB-CB 4.42Å; R168-I188 HydrophobicContact CB-CD1 4.01Å; R168-I188 HydrophobicContact CB-CG1 3.95Å; R168-I188 WeakPolarHBondContact O-CA 3.44Å; L171-I188 HydrophobicContact CD1-CD1 4.22Å; L171-I188 HydrophobicContact CD1-CG1 4.34Å; L171-I188 HydrophobicContact CD1-CG2 4.33Å; I188-L218 HydrophobicContact CD1-CD2 4.33Å; I188-L218 HydrophobicContact CG2-CD1 3.61Å; I188-L218 HydrophobicContact CG2-CD2 3.82Å; I188-L218 HydrophobicContact CG2-CG 4.38Å; I188-V222 PolarHBondContact N-O 2.9Å; I188-L223 HydrophobicContact CG2-CD1 3.98Å; I188-W224 PolarHBondContact O-N 3.25Å
189	T	98.4	Very high	95.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	148.9	174.2	61	0	0	0	0	110.5	R168 C169 N170 L171 F187 W224 T280 M284	R168-T189 PolarHBondContact O-N 2.99Å; R168-T189 PolarHBondContact O-OG1 3.42Å; C169-T189 WeakPolarHBondContact CA-OG1 3.19Å; N170-T189 CarbonylContact C-O 3.55Å; N170-T189 WeakPolarHBondContact CA-O 3.3Å; N170-T189 PolarHBondContact N-O 3Å; N170-T189 PolarHBondContact N-OG1 3.35Å; L171-T189 PolarHBondContact N-O 3.32Å; F187-T189 HydrophobicContact CE1-CG2 4.08Å; T189-W224 CarbonylContact C-O 3.33Å; T189-W224 VanDerWaalsContact CA-O 3.31Å; T189-W224 WeakPolarHBondContact CA-O 3.19Å; T189-W224 HydrophobicContact CG2-CB 4.32Å; T189-W224 HydrophobicContact CG2-CD2 4.13Å; T189-W224 HydrophobicContact CG2-CE3 3.5Å; T189-W224 VanDerWaalsContact CG2-CE3 3.5Å; T189-W224 HydrophobicContact CG2-CZ3 4.09Å; T189-T280 HydrophobicContact CG2-CG2 3.99Å; T189-T280 WeakPolarHBondContact OG1-CG2 3.33Å; T189-M284 HydrophobicContact CG2-CE 3.77Å; T189-M284 HydrophobicContact CG2-CG 3.99Å; T189-M284 HydrophobicContact CG2-SD 3.38Å; T189-M284 WeakPolarHBondContact CG2-SD 3.42Å
190	M	96.5	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.			trans	-137.4	91.1	172.9	-174.5	-152.1	73	0	0	109.4	L171 V194 F211 L223 W224 I225 P226 V240	L171-M190 HydrophobicContact CB-CG 4.27Å; L171-M190 HydrophobicContact CD1-CB 4.15Å; L171-M190 HydrophobicContact CD1-CG 4.26Å; M190-V194 HydrophobicContact CG-CB 4.38Å; M190-F211 HydrophobicContact SD-CE2 3.82Å; M190-F211 HydrophobicContact SD-CZ 3.71Å; M190-L223 HydrophobicContact CB-CD1 3.8Å; M190-W224 PolarHBondContact N-O 3.08Å; M190-I225 HydrophobicContact CE-CB 4.4Å; M190-I225 HydrophobicContact CE-CD1 3.88Å; M190-I225 HydrophobicContact CE-CG1 3.9Å; M190-I225 HydrophobicContact CE-CG2 3.75Å; M190-P226 WeakPolarHBondContact O-CD 3.48Å; M190-V240 HydrophobicContact CE-CB 4.17Å; M190-V240 HydrophobicContact CE-CG1 3.85Å; M190-V240 HydrophobicContact CE-CG2 3.87Å; M190-V240 HydrophobicContact SD-CG1 3.99Å; M190-V240 HydrophobicContact SD-CG2 3.99Å
191	N	94.1	Very high	95.2	Very high	40 Å²	40	29.4 Å²	29.4	21%	0.214	17%	0.167	C	C	.	.			trans	-60	135.7	170.7	-175.7	-68.6	0	0	0	109.9	N170 S193 V194	N170-N191 WeakPolarHBondContact OD1-CB 3.44Å; N191-S193 PolarHBondContact O-N 2.64Å; N191-S193 VanDerWaalsContact OD1-CB 3.26Å; N191-S193 WeakPolarHBondContact OD1-CB 3.33Å; N191-S193 PolarHBondContact OD1-N 3.12Å; N191-S193 PolarHBondContact OD1-OG 2.96Å; N191-V194 VanDerWaalsContact O-CB 3.24Å; N191-V194 WeakPolarHBondContact O-CB 3.35Å; N191-V194 VanDerWaalsContact O-CG2 3.27Å; N191-V194 WeakPolarHBondContact O-CG2 3.5Å; N191-V194 PolarHBondContact O-N 3.38Å
192	P	92.7	Very high	95	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.045	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.2	-179.4	-28.3	35.3	0	0	0	114.9	V194 V195 H236 V237	P192-V194 PolarHBondContact O-N 2.88Å; P192-V195 PolarHBondContact O-N 2.91Å; P192-H236 HydrophobicContact CB-CB 4.06Å; P192-H236 PolarHBondContact O-ND1 2.89Å; P192-V237 HydrophobicContact CB-CG2 4.15Å; P192-V237 HydrophobicContact CG-CG2 3.62Å
193	S	90.9	Very high	94.8	Very high	43 Å²	43	39.5 Å²	39.5	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-18.2	173.4	66.1	0	0	0	0	114.2	N191 V195 Q196 R197	N191-S193 PolarHBondContact O-N 2.64Å; N191-S193 VanDerWaalsContact OD1-CB 3.26Å; N191-S193 WeakPolarHBondContact OD1-CB 3.33Å; N191-S193 PolarHBondContact OD1-N 3.12Å; N191-S193 PolarHBondContact OD1-OG 2.96Å; S193-V195 VanDerWaalsContact C-N 3.28Å; S193-V195 PolarHBondContact O-N 3.47Å; S193-Q196 PolarHBondContact O-N 2.92Å; S193-R197 WeakPolarHBondContact O-CB 3.45Å; S193-R197 WeakPolarHBondContact O-CG 3.36Å; S193-R197 PolarHBondContact O-N 3.49Å; S193-R197 PolarHBondContact O-NE 3.43Å; S193-R197 PolarHBondContact OG-NH2 3.12Å
194	V	92.8	Very high	94.6	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-38.7	176	170.7	0	0	0	0	110.6	N170 L171 M190 N191 P192 Q196 R197 A198 F199	N170-V194 HydrophobicContact CB-CG2 3.9Å; N170-V194 WeakPolarHBondContact O-CG2 3.48Å; L171-V194 HydrophobicContact CB-CG1 4.16Å; M190-V194 HydrophobicContact CG-CB 4.38Å; N191-V194 VanDerWaalsContact O-CB 3.24Å; N191-V194 WeakPolarHBondContact O-CB 3.35Å; N191-V194 VanDerWaalsContact O-CG2 3.27Å; N191-V194 WeakPolarHBondContact O-CG2 3.5Å; N191-V194 PolarHBondContact O-N 3.38Å; P192-V194 PolarHBondContact O-N 2.88Å; V194-Q196 VanDerWaalsContact C-N 3.33Å; V194-Q196 PolarHBondContact O-N 3.37Å; V194-R197 PolarHBondContact O-N 3.25Å; V194-A198 HydrophobicContact CG1-CB 4.17Å; V194-A198 WeakPolarHBondContact O-CB 3.48Å; V194-A198 PolarHBondContact O-N 3.12Å; V194-F199 HydrophobicContact CG1-CD2 4.09Å; V194-F199 HydrophobicContact CG1-CE2 3.75Å
195	V	94.5	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-48.2	178.4	174.6	0	0	0	0	111	P192 S193 F199 G200 G201 F202 H236 W239 V240	P192-V195 PolarHBondContact O-N 2.91Å; S193-V195 VanDerWaalsContact C-N 3.28Å; S193-V195 PolarHBondContact O-N 3.47Å; V195-F199 CarbonylContact O-C 3.45Å; V195-F199 WeakPolarHBondContact O-CA 3.46Å; V195-F199 WeakPolarHBondContact O-CB 3.14Å; V195-F199 PolarHBondContact O-N 3.09Å; V195-G200 PolarHBondContact O-N 2.59Å; V195-G201 PolarHBondContact O-N 3.41Å; V195-F202 HydrophobicContact CB-CE2 4.45Å; V195-F202 HydrophobicContact CB-CZ 4.42Å; V195-F202 HydrophobicContact CG1-CD1 4.32Å; V195-F202 HydrophobicContact CG1-CD2 3.69Å; V195-F202 HydrophobicContact CG1-CE1 4.15Å; V195-F202 HydrophobicContact CG1-CE2 3.52Å; V195-F202 HydrophobicContact CG1-CG 4.09Å; V195-F202 HydrophobicContact CG1-CZ 3.76Å; V195-F202 HydrophobicContact CG2-CE2 4.11Å; V195-F202 HydrophobicContact CG2-CZ 4.02Å; V195-H236 HydrophobicContact CB-CB 3.99Å; V195-H236 HydrophobicContact CG1-CB 4.27Å; V195-H236 HydrophobicContact CG2-CB 4.01Å; V195-W239 HydrophobicContact CG1-CE3 4.31Å; V195-V240 HydrophobicContact CG2-CG2 3.57Å
196	Q	92.3	Very high	94.5	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-70.9	-40.5	178.4	-176.3	58.5	73.4	0	0	113	S193 V194	S193-Q196 PolarHBondContact O-N 2.92Å; V194-Q196 VanDerWaalsContact C-N 3.33Å; V194-Q196 PolarHBondContact O-N 3.37Å
197	R	89.9	Confident	94.4	Very high	119 Å²	119	41.3 Å²	41.3	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-80.5	-39.3	-170.8	-71.9	-173.5	-63.5	120.7	-0.2	113.9	S193 V194	S193-R197 WeakPolarHBondContact O-CB 3.45Å; S193-R197 WeakPolarHBondContact O-CG 3.36Å; S193-R197 PolarHBondContact O-N 3.49Å; S193-R197 PolarHBondContact O-NE 3.43Å; S193-R197 PolarHBondContact OG-NH2 3.12Å; V194-R197 PolarHBondContact O-N 3.25Å
198	A	91.8	Very high	94.3	Very high	65 Å²	65	45.5 Å²	45.5	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-106.7	-20	-173.2	0	0	0	0	0	113.2	V194	V194-A198 HydrophobicContact CG1-CB 4.17Å; V194-A198 WeakPolarHBondContact O-CB 3.48Å; V194-A198 PolarHBondContact O-N 3.12Å
199	F	95	Very high	94.2	Very high	12 Å²	12	51 Å²	51	5%	0.053	26%	0.256	C	S	.	.	S	Bend	trans	-130.3	29	-174.5	-55.3	-80.3	0	0	0	112.2	L171 V194 V195 G201 F202 D207 K210 F211	L171-F199 HydrophobicContact CD2-CE2 4.06Å; L171-F199 HydrophobicContact CD2-CZ 4.16Å; V194-F199 HydrophobicContact CG1-CD2 4.09Å; V194-F199 HydrophobicContact CG1-CE2 3.75Å; V195-F199 CarbonylContact O-C 3.45Å; V195-F199 WeakPolarHBondContact O-CA 3.46Å; V195-F199 WeakPolarHBondContact O-CB 3.14Å; V195-F199 PolarHBondContact O-N 3.09Å; F199-G201 PolarHBondContact O-N 3.43Å; F199-F202 HydrophobicContact CB-CD1 3.94Å; F199-F202 HydrophobicContact CB-CE1 3.62Å; F199-F202 HydrophobicContact CG-CE1 4.2Å; F199-F202 PolarHBondContact O-N 2.83Å; F199-D207 HydrophobicContact CB-CB 4.36Å; F199-D207 VanDerWaalsContact O-CB 3.29Å; F199-D207 WeakPolarHBondContact O-CB 3.38Å; F199-K210 HydrophobicContact CD1-CB 4.33Å; F199-K210 HydrophobicContact CE1-CB 4.27Å; F199-F211 HydrophobicContact CD1-CB 3.78Å; F199-F211 HydrophobicContact CD1-CD2 4.25Å; F199-F211 AromaticContact CD2-CD2 3.69Å; F199-F211 HydrophobicContact CD2-CD2 3.69Å; F199-F211 HydrophobicContact CD2-CE2 4.41Å; F199-F211 HydrophobicContact CE1-CB 3.96Å; F199-F211 HydrophobicContact CE1-CD2 4.18Å; F199-F211 AromaticContact CE2-CD2 3.62Å; F199-F211 HydrophobicContact CE2-CD2 3.62Å; F199-F211 HydrophobicContact CE2-CE2 4.24Å; F199-F211 HydrophobicContact CG-CB 4.15Å; F199-F211 HydrophobicContact CG-CD2 4.02Å; F199-F211 HydrophobicContact CZ-CB 4.47Å; F199-F211 AromaticContact CZ-CD2 3.87Å; F199-F211 HydrophobicContact CZ-CD2 3.87Å
200	G	93	Very high	94.1	Very high	25 Å²	25	56.7 Å²	56.7	26%	0.258	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	58.8	11.5	171	0	0	0	0	0	116.3	V195 F202 R203	V195-G200 PolarHBondContact O-N 2.59Å; G200-F202 VanDerWaalsContact C-N 3.3Å; G200-R203 WeakPolarHBondContact O-CD 3.46Å; G200-R203 VanDerWaalsContact O-CG 3.26Å; G200-R203 WeakPolarHBondContact O-CG 3.19Å
201	G	93.4	Very high	94.1	Very high	7 Å²	7	56.7 Å²	56.7	7%	0.072	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	70.3	24.8	-169.9	0	0	0	0	0	113.6	V195 F199 R203 W239	V195-G201 PolarHBondContact O-N 3.41Å; F199-G201 PolarHBondContact O-N 3.43Å; G201-R203 PolarHBondContact O-N 3.05Å; G201-W239 WeakPolarHBondContact O-CZ3 3.49Å
202	F	94.6	Very high	94.2	Very high	9 Å²	9	56 Å²	56	4%	0.039	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	54.7	31.9	-177.5	-56.7	-34.4	0	0	0	114.4	V195 F199 G200 N204 R208 F211 W239 V240 L243	V195-F202 HydrophobicContact CB-CE2 4.45Å; V195-F202 HydrophobicContact CB-CZ 4.42Å; V195-F202 HydrophobicContact CG1-CD1 4.32Å; V195-F202 HydrophobicContact CG1-CD2 3.69Å; V195-F202 HydrophobicContact CG1-CE1 4.15Å; V195-F202 HydrophobicContact CG1-CE2 3.52Å; V195-F202 HydrophobicContact CG1-CG 4.09Å; V195-F202 HydrophobicContact CG1-CZ 3.76Å; V195-F202 HydrophobicContact CG2-CE2 4.11Å; V195-F202 HydrophobicContact CG2-CZ 4.02Å; F199-F202 HydrophobicContact CB-CD1 3.94Å; F199-F202 HydrophobicContact CB-CE1 3.62Å; F199-F202 HydrophobicContact CG-CE1 4.2Å; F199-F202 PolarHBondContact O-N 2.83Å; G200-F202 VanDerWaalsContact C-N 3.3Å; F202-N204 VanDerWaalsContact C-N 3.3Å; F202-N204 PolarHBondContact O-N 2.97Å; F202-R208 HydrophobicContact CB-CG 3.79Å; F202-R208 HydrophobicContact CD1-CG 4.04Å; F202-R208 HydrophobicContact CG-CG 4.04Å; F202-R208 PolarHBondContact O-NE 2.98Å; F202-R208 VanDerWaalsContact O-NE 3.13Å; F202-R208 PolarHBondContact O-NH2 3.45Å; F202-F211 HydrophobicContact CE1-CB 3.6Å; F202-F211 HydrophobicContact CE1-CD1 4.11Å; F202-F211 AromaticContact CE1-CD2 3.99Å; F202-F211 HydrophobicContact CE1-CD2 3.99Å; F202-F211 AromaticContact CE1-CG 3.63Å; F202-F211 HydrophobicContact CE1-CG 3.63Å; F202-F211 HydrophobicContact CZ-CB 4.07Å; F202-F211 AromaticContact CZ-CD1 3.68Å; F202-F211 HydrophobicContact CZ-CD1 3.68Å; F202-F211 AromaticContact CZ-CD2 3.82Å; F202-F211 HydrophobicContact CZ-CD2 3.82Å; F202-F211 HydrophobicContact CZ-CE1 4.04Å; F202-F211 HydrophobicContact CZ-CE2 4.18Å; F202-F211 AromaticContact CZ-CG 3.56Å; F202-F211 HydrophobicContact CZ-CG 3.56Å; F202-F211 HydrophobicContact CZ-CZ 4.29Å; F202-W239 HydrophobicContact CD2-CB 3.79Å; F202-W239 HydrophobicContact CD2-CD2 4.46Å; F202-W239 AromaticContact CD2-CE3 3.98Å; F202-W239 HydrophobicContact CD2-CE3 3.98Å; F202-W239 HydrophobicContact CD2-CG 4.43Å; F202-W239 HydrophobicContact CE2-CB 3.93Å; F202-V240 HydrophobicContact CE2-CG2 4.04Å; F202-V240 HydrophobicContact CZ-CG2 4.17Å; F202-L243 HydrophobicContact CD2-CD1 4.11Å; F202-L243 HydrophobicContact CE1-CD1 4.36Å; F202-L243 HydrophobicContact CE2-CD1 3.71Å; F202-L243 HydrophobicContact CZ-CD1 3.86Å
203	R	92.8	Very high	94.3	Very high	204 Å²	204	61 Å²	61	77%	0.77	30%	0.3	S	S	*	.			trans	-66.4	-30.2	179.2	-73.9	176.3	178.2	178.4	-1	113	G200 G201	G200-R203 WeakPolarHBondContact O-CD 3.46Å; G200-R203 VanDerWaalsContact O-CG 3.26Å; G200-R203 WeakPolarHBondContact O-CG 3.19Å; G201-R203 PolarHBondContact O-N 3.05Å
204	N	94.7	Very high	94.5	Very high	73 Å²	73	61.1 Å²	61.1	39%	0.39	29%	0.294	S	S	.	.	S	Bend	trans	-123.1	163.2	177.6	62.9	64.6	0	0	0	110.3	F202 S206 D207	F202-N204 VanDerWaalsContact C-N 3.3Å; F202-N204 PolarHBondContact O-N 2.97Å; N204-S206 PolarHBondContact OD1-N 2.91Å; N204-D207 PolarHBondContact ND2-OD2 2.89Å; N204-D207 WeakPolarHBondContact OD1-CB 3.28Å; N204-D207 PolarHBondContact OD1-N 2.94Å; N204-D207 PolarHBondContact OD1-OD2 3.27Å
205	E	94.9	Very high	94.7	Very high	92 Å²	92	60.9 Å²	60.9	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-71.6	-35.9	-177.2	-162.2	59.3	-149.9	0	0	112.3	D207 R208 E209	E205-D207 VanDerWaalsContact C-N 3.28Å; E205-D207 PolarHBondContact O-N 3.28Å; E205-R208 WeakPolarHBondContact O-CA 3.36Å; E205-R208 WeakPolarHBondContact O-CB 3.33Å; E205-R208 PolarHBondContact O-N 2.95Å; E205-R208 WeakPolarHBondContact OE2-CD 3.43Å; E205-R208 IonicContact OE2-CZ 3.68Å; E205-R208 IonicContact OE2-NE 3.86Å; E205-R208 IonicContact OE2-NH1 2.86Å; E205-R208 PolarHBondContact OE2-NH1 2.9Å; E205-E209 HydrophobicContact CG-CG 4.46Å; E205-E209 WeakPolarHBondContact O-CG 3.37Å; E205-E209 PolarHBondContact O-N 2.82Å
206	S	96.3	Very high	94.7	Very high	54 Å²	54	63.8 Å²	63.8	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-57.4	-39.4	177.7	-175.3	0	0	0	0	112.8	N204 R208 E209 K210	N204-S206 PolarHBondContact OD1-N 2.91Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 2.91Å; S206-E209 PolarHBondContact O-N 3.38Å; S206-K210 WeakPolarHBondContact O-CB 3.46Å; S206-K210 VanDerWaalsContact O-CG 3.23Å; S206-K210 WeakPolarHBondContact O-CG 3.47Å; S206-K210 PolarHBondContact O-N 3.11Å; S206-K210 WeakPolarHBondContact OG-CE 3.39Å
207	D	96.1	Very high	94.8	Very high	23 Å²	23	63.7 Å²	63.7	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-34.5	176.7	-74.3	-24.8	0	0	0	112	F199 N204 E205 F211	F199-D207 HydrophobicContact CB-CB 4.36Å; F199-D207 VanDerWaalsContact O-CB 3.29Å; F199-D207 WeakPolarHBondContact O-CB 3.38Å; N204-D207 PolarHBondContact ND2-OD2 2.89Å; N204-D207 WeakPolarHBondContact OD1-CB 3.28Å; N204-D207 PolarHBondContact OD1-N 2.94Å; N204-D207 PolarHBondContact OD1-OD2 3.27Å; E205-D207 VanDerWaalsContact C-N 3.28Å; E205-D207 PolarHBondContact O-N 3.28Å; D207-F211 WeakPolarHBondContact O-CB 3.47Å; D207-F211 PolarHBondContact O-N 3.39Å
208	R	96.9	Very high	94.9	Very high	91 Å²	91	58.7 Å²	58.7	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-69.5	-45.8	174.7	-62.5	172.3	-172.1	174.1	-3.9	110.7	F202 E205 S206 K210 F211 V212	F202-R208 HydrophobicContact CB-CG 3.79Å; F202-R208 HydrophobicContact CD1-CG 4.04Å; F202-R208 HydrophobicContact CG-CG 4.04Å; F202-R208 PolarHBondContact O-NE 2.98Å; F202-R208 VanDerWaalsContact O-NE 3.13Å; F202-R208 PolarHBondContact O-NH2 3.45Å; E205-R208 WeakPolarHBondContact O-CA 3.36Å; E205-R208 WeakPolarHBondContact O-CB 3.33Å; E205-R208 PolarHBondContact O-N 2.95Å; E205-R208 WeakPolarHBondContact OE2-CD 3.43Å; E205-R208 IonicContact OE2-CZ 3.68Å; E205-R208 IonicContact OE2-NE 3.86Å; E205-R208 IonicContact OE2-NH1 2.86Å; E205-R208 PolarHBondContact OE2-NH1 2.9Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 2.91Å; R208-K210 PolarHBondContact O-N 2.81Å; R208-F211 WeakPolarHBondContact O-CB 3.05Å; R208-F211 PolarHBondContact O-N 2.81Å; R208-F211 VanDerWaalsContact O-N 3.16Å; R208-V212 WeakPolarHBondContact O-CB 3.12Å; R208-V212 VanDerWaalsContact O-CG2 3.31Å; R208-V212 WeakPolarHBondContact O-CG2 3.13Å; R208-V212 PolarHBondContact O-N 3.13Å
209	E	96.7	Very high	94.7	Very high	119 Å²	119	61.1 Å²	61.1	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-59.5	-46.4	176.4	-70.6	172.4	172.2	0	0	111.2	E205 S206 F211 V212 H213	E205-E209 HydrophobicContact CG-CG 4.46Å; E205-E209 WeakPolarHBondContact O-CG 3.37Å; E205-E209 PolarHBondContact O-N 2.82Å; S206-E209 PolarHBondContact O-N 3.38Å; E209-F211 VanDerWaalsContact C-N 3.29Å; E209-F211 PolarHBondContact O-N 3.03Å; E209-V212 PolarHBondContact O-N 2.79Å; E209-H213 VanDerWaalsContact O-CB 3.28Å; E209-H213 WeakPolarHBondContact O-CB 3.41Å; E209-H213 PolarHBondContact O-N 2.92Å
210	K	95.5	Very high	94.5	Very high	120 Å²	120	64.7 Å²	64.7	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-40.9	174.5	-75	170.6	-172.2	168.6	0	112.1	F199 S206 R208 R214	F199-K210 HydrophobicContact CD1-CB 4.33Å; F199-K210 HydrophobicContact CE1-CB 4.27Å; S206-K210 WeakPolarHBondContact O-CB 3.46Å; S206-K210 VanDerWaalsContact O-CG 3.23Å; S206-K210 WeakPolarHBondContact O-CG 3.47Å; S206-K210 PolarHBondContact O-N 3.11Å; S206-K210 WeakPolarHBondContact OG-CE 3.39Å; R208-K210 PolarHBondContact O-N 2.81Å; K210-R214 WeakPolarHBondContact O-CB 3.4Å; K210-R214 PolarHBondContact O-N 2.91Å
211	F	96.7	Very high	94.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-46.6	177.5	-178	-96.2	0	0	0	112.2	L171 M190 F199 F202 D207 R208 E209 H213 R214 L215 V240 L243	L171-F211 HydrophobicContact CD2-CD2 4.16Å; L171-F211 HydrophobicContact CD2-CE2 3.78Å; M190-F211 HydrophobicContact SD-CE2 3.82Å; M190-F211 HydrophobicContact SD-CZ 3.71Å; F199-F211 HydrophobicContact CD1-CB 3.78Å; F199-F211 HydrophobicContact CD1-CD2 4.25Å; F199-F211 AromaticContact CD2-CD2 3.69Å; F199-F211 HydrophobicContact CD2-CD2 3.69Å; F199-F211 HydrophobicContact CD2-CE2 4.41Å; F199-F211 HydrophobicContact CE1-CB 3.96Å; F199-F211 HydrophobicContact CE1-CD2 4.18Å; F199-F211 AromaticContact CE2-CD2 3.62Å; F199-F211 HydrophobicContact CE2-CD2 3.62Å; F199-F211 HydrophobicContact CE2-CE2 4.24Å; F199-F211 HydrophobicContact CG-CB 4.15Å; F199-F211 HydrophobicContact CG-CD2 4.02Å; F199-F211 HydrophobicContact CZ-CB 4.47Å; F199-F211 AromaticContact CZ-CD2 3.87Å; F199-F211 HydrophobicContact CZ-CD2 3.87Å; F202-F211 HydrophobicContact CE1-CB 3.6Å; F202-F211 HydrophobicContact CE1-CD1 4.11Å; F202-F211 AromaticContact CE1-CD2 3.99Å; F202-F211 HydrophobicContact CE1-CD2 3.99Å; F202-F211 AromaticContact CE1-CG 3.63Å; F202-F211 HydrophobicContact CE1-CG 3.63Å; F202-F211 HydrophobicContact CZ-CB 4.07Å; F202-F211 AromaticContact CZ-CD1 3.68Å; F202-F211 HydrophobicContact CZ-CD1 3.68Å; F202-F211 AromaticContact CZ-CD2 3.82Å; F202-F211 HydrophobicContact CZ-CD2 3.82Å; F202-F211 HydrophobicContact CZ-CE1 4.04Å; F202-F211 HydrophobicContact CZ-CE2 4.18Å; F202-F211 AromaticContact CZ-CG 3.56Å; F202-F211 HydrophobicContact CZ-CG 3.56Å; F202-F211 HydrophobicContact CZ-CZ 4.29Å; D207-F211 WeakPolarHBondContact O-CB 3.47Å; D207-F211 PolarHBondContact O-N 3.39Å; R208-F211 WeakPolarHBondContact O-CB 3.05Å; R208-F211 PolarHBondContact O-N 2.81Å; R208-F211 VanDerWaalsContact O-N 3.16Å; E209-F211 VanDerWaalsContact C-N 3.29Å; E209-F211 PolarHBondContact O-N 3.03Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.86Å; F211-R214 WeakPolarHBondContact O-CB 3.33Å; F211-R214 PolarHBondContact O-N 2.91Å; F211-R214 VanDerWaalsContact O-N 3.13Å; F211-L215 HydrophobicContact CD1-CD1 4.12Å; F211-L215 HydrophobicContact CD1-CG 4.32Å; F211-L215 HydrophobicContact CE1-CD1 3.31Å; F211-L215 HydrophobicContact CE1-CG 3.85Å; F211-L215 HydrophobicContact CE2-CG 4.49Å; F211-L215 HydrophobicContact CZ-CD1 3.59Å; F211-L215 HydrophobicContact CZ-CD2 4.25Å; F211-L215 HydrophobicContact CZ-CG 3.93Å; F211-L215 PolarHBondContact O-N 3.28Å; F211-V240 HydrophobicContact CE1-CB 4.28Å; F211-V240 HydrophobicContact CE1-CG1 3.94Å; F211-V240 HydrophobicContact CE1-CG2 3.84Å; F211-V240 HydrophobicContact CE2-CG2 4.18Å; F211-V240 HydrophobicContact CZ-CB 4.12Å; F211-V240 HydrophobicContact CZ-CG1 3.68Å; F211-V240 HydrophobicContact CZ-CG2 3.44Å; F211-V240 VanDerWaalsContact CZ-CG2 3.44Å; F211-L243 HydrophobicContact CD1-CD1 3.91Å; F211-L243 HydrophobicContact CE1-CD1 4.39Å
212	V	97.1	Very high	94.9	Very high	26 Å²	26	63.6 Å²	63.6	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-45.2	176	169	0	0	0	0	110.4	R208 E209 R214 L215 S216 L243 N247 L249	R208-V212 WeakPolarHBondContact O-CB 3.12Å; R208-V212 VanDerWaalsContact O-CG2 3.31Å; R208-V212 WeakPolarHBondContact O-CG2 3.13Å; R208-V212 PolarHBondContact O-N 3.13Å; E209-V212 PolarHBondContact O-N 2.79Å; V212-R214 PolarHBondContact O-N 3.49Å; V212-L215 PolarHBondContact O-N 3.07Å; V212-S216 PolarHBondContact O-N 3.36Å; V212-L243 HydrophobicContact CG2-CB 4.48Å; V212-L243 HydrophobicContact CG2-CD2 4.26Å; V212-N247 HydrophobicContact CG1-CB 4.17Å; V212-L249 HydrophobicContact CG1-CD1 4.44Å; V212-L249 HydrophobicContact CG1-CD2 4.13Å
213	H	95.5	Very high	95.1	Very high	112 Å²	112	63.1 Å²	63.1	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-41.9	174	-179.6	-92	0	0	0	112	E209 F211 L215 S216 M217	E209-H213 VanDerWaalsContact O-CB 3.28Å; E209-H213 WeakPolarHBondContact O-CB 3.41Å; E209-H213 PolarHBondContact O-N 2.92Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.86Å; H213-L215 VanDerWaalsContact C-N 3.31Å; H213-L215 PolarHBondContact O-N 3.14Å; H213-S216 PolarHBondContact O-N 2.78Å; H213-S216 PolarHBondContact O-OG 3.02Å; H213-M217 WeakPolarHBondContact O-CG 3.4Å; H213-M217 PolarHBondContact O-N 3.15Å
214	R	94.8	Very high	95.4	Very high	45 Å²	45	53.7 Å²	53.7	17%	0.17	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-40.7	175.8	-177.3	58.9	60	86.7	0.8	112	L171 P173 K210 F211 V212	L171-R214 HydrophobicContact CD2-CB 4.39Å; L171-R214 HydrophobicContact CD2-CG 3.6Å; L171-R214 HydrophobicContact CG-CG 3.91Å; L171-R214 PolarHBondContact O-NH1 3.1Å; P173-R214 VanDerWaalsContact N-NH1 3.18Å; K210-R214 WeakPolarHBondContact O-CB 3.4Å; K210-R214 PolarHBondContact O-N 2.91Å; F211-R214 WeakPolarHBondContact O-CB 3.33Å; F211-R214 PolarHBondContact O-N 2.91Å; F211-R214 VanDerWaalsContact O-N 3.13Å; V212-R214 PolarHBondContact O-N 3.49Å
215	L	96.2	Very high	95.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-76	-33.2	179	-69.3	-164.1	0	0	0	113.1	L171 F211 V212 H213 M217 L218 L223 I244 L249 V251	L171-L215 HydrophobicContact CD1-CD2 3.78Å; L171-L215 HydrophobicContact CD2-CD2 4.1Å; F211-L215 HydrophobicContact CD1-CD1 4.12Å; F211-L215 HydrophobicContact CD1-CG 4.32Å; F211-L215 HydrophobicContact CE1-CD1 3.31Å; F211-L215 HydrophobicContact CE1-CG 3.85Å; F211-L215 HydrophobicContact CE2-CG 4.49Å; F211-L215 HydrophobicContact CZ-CD1 3.59Å; F211-L215 HydrophobicContact CZ-CD2 4.25Å; F211-L215 HydrophobicContact CZ-CG 3.93Å; F211-L215 PolarHBondContact O-N 3.28Å; V212-L215 PolarHBondContact O-N 3.07Å; H213-L215 VanDerWaalsContact C-N 3.31Å; H213-L215 PolarHBondContact O-N 3.14Å; L215-M217 PolarHBondContact O-N 3.35Å; L215-L218 HydrophobicContact CD2-CD1 3.71Å; L215-L218 WeakPolarHBondContact O-CB 3.47Å; L215-L218 PolarHBondContact O-N 3.41Å; L215-L218 VanDerWaalsContact O-N 3.1Å; L215-L223 HydrophobicContact CD1-CD2 4.04Å; L215-L223 HydrophobicContact CD2-CD1 4.13Å; L215-L223 HydrophobicContact CD2-CD2 3.86Å; L215-I244 HydrophobicContact CD1-CD1 4.08Å; L215-I244 HydrophobicContact CD1-CG1 3.7Å; L215-L249 HydrophobicContact CB-CD1 3.62Å; L215-L249 HydrophobicContact CD1-CD1 3.98Å; L215-L249 HydrophobicContact CG-CD1 4.43Å; L215-V251 WeakPolarHBondContact O-CG1 3.05Å
216	S	94.9	Very high	95.5	Very high	61 Å²	61	46.4 Å²	46.4	43%	0.427	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-31.6	178.2	68.2	0	0	0	0	112.4	V212 H213 L218	V212-S216 PolarHBondContact O-N 3.36Å; H213-S216 PolarHBondContact O-N 2.78Å; H213-S216 PolarHBondContact O-OG 3.02Å; S216-L218 PolarHBondContact O-N 3.36Å
217	M	93.2	Very high	95.2	Very high	81 Å²	81	43.9 Å²	43.9	40%	0.399	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.6	174.9	-66.7	-169.6	-62.2	0	0	114.2	V175 H213 L215 N219	V175-M217 HydrophobicContact CG2-CE 4.27Å; V175-M217 HydrophobicContact CG2-SD 4.05Å; H213-M217 WeakPolarHBondContact O-CG 3.4Å; H213-M217 PolarHBondContact O-N 3.15Å; L215-M217 PolarHBondContact O-N 3.35Å; M217-N219 VanDerWaalsContact C-N 3.31Å; M217-N219 PolarHBondContact O-N 3.41Å
218	L	92.9	Very high	94.8	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.068	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.1	-178	-67.3	-178.6	0	0	0	113.5	L171 I188 L215 S216 D220 S221 L223 V251	L171-L218 HydrophobicContact CD1-CD1 4.39Å; I188-L218 HydrophobicContact CD1-CD2 4.33Å; I188-L218 HydrophobicContact CG2-CD1 3.61Å; I188-L218 HydrophobicContact CG2-CD2 3.82Å; I188-L218 HydrophobicContact CG2-CG 4.38Å; L215-L218 HydrophobicContact CD2-CD1 3.71Å; L215-L218 WeakPolarHBondContact O-CB 3.47Å; L215-L218 PolarHBondContact O-N 3.41Å; L215-L218 VanDerWaalsContact O-N 3.1Å; S216-L218 PolarHBondContact O-N 3.36Å; L218-D220 PolarHBondContact O-N 2.85Å; L218-S221 WeakPolarHBondContact O-CB 3.26Å; L218-S221 PolarHBondContact O-N 3.12Å; L218-S221 PolarHBondContact O-OG 2.53Å; L218-L223 HydrophobicContact CD1-CD1 4.24Å; L218-V251 HydrophobicContact CB-CG1 3.93Å; L218-V251 HydrophobicContact CD1-CG1 4.24Å
219	N	86.6	Confident	94.3	Very high	116 Å²	116	39.4 Å²	39.4	62%	0.62	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	35.1	76.1	169.3	-166	44.1	0	0	0	115.3	M217 S221	M217-N219 VanDerWaalsContact C-N 3.31Å; M217-N219 PolarHBondContact O-N 3.41Å; N219-S221 PolarHBondContact O-N 2.81Å
220	D	91.3	Very high	93.7	Very high	88 Å²	88	37 Å²	37	47%	0.471	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	9.7	-178.2	-64.5	-37.7	0	0	0	116.6	L218 K250 R252	L218-D220 PolarHBondContact O-N 2.85Å; D220-K250 PolarHBondContact N-O 3.22Å; D220-R252 PolarHBondContact O-NE 3.32Å; D220-R252 PolarHBondContact O-NH2 2.89Å
221	S	96.9	Very high	93.1	Very high	8 Å²	8	36.4 Å²	36.4	6%	0.056	19%	0.19	C	C	.	.			trans	-61.6	158.1	166.3	-60.7	0	0	0	0	112.3	S185 L218 N219 L223 R252	S185-S221 PolarHBondContact O-OG 2.93Å; L218-S221 WeakPolarHBondContact O-CB 3.26Å; L218-S221 PolarHBondContact O-N 3.12Å; L218-S221 PolarHBondContact O-OG 2.53Å; N219-S221 PolarHBondContact O-N 2.81Å; S221-L223 PolarHBondContact O-N 3.01Å; S221-R252 PolarHBondContact O-N 3.23Å
222	V	98.4	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.4	169.8	-177.9	0	0	0	0	110	P133 M134 D186 F187 I188 R252 A254	P133-V222 HydrophobicContact CB-CG1 4.43Å; P133-V222 HydrophobicContact CB-CG2 3.81Å; P133-V222 HydrophobicContact CG-CG1 4.44Å; M134-V222 HydrophobicContact CE-CG2 4.29Å; D186-V222 PolarHBondContact O-N 3Å; F187-V222 CarbonylContact C-O 3.24Å; F187-V222 WeakPolarHBondContact CA-O 3.47Å; F187-V222 HydrophobicContact CB-CB 4.44Å; F187-V222 HydrophobicContact CD2-CB 3.65Å; F187-V222 HydrophobicContact CD2-CG1 3.67Å; F187-V222 HydrophobicContact CD2-CG2 4.18Å; F187-V222 HydrophobicContact CE2-CB 4.19Å; F187-V222 HydrophobicContact CE2-CG1 3.66Å; F187-V222 HydrophobicContact CG-CB 4.14Å; F187-V222 HydrophobicContact CG-CG1 4.36Å; F187-V222 HydrophobicContact CZ-CG1 4.35Å; I188-V222 PolarHBondContact N-O 2.9Å; V222-R252 CarbonylContact C-O 3.41Å; V222-R252 WeakPolarHBondContact CA-O 3.42Å; V222-R252 HydrophobicContact CG2-CB 4.49Å; V222-A254 HydrophobicContact CG1-CB 3.65Å
223	L	98.5	Very high	91.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.2	168.6	-179.7	64.5	0	0	0	109.2	L171 I188 M190 L215 L218 S221 I225 I244 V251 R252 T253 A254	L171-L223 HydrophobicContact CD1-CD1 3.67Å; I188-L223 HydrophobicContact CG2-CD1 3.98Å; M190-L223 HydrophobicContact CB-CD1 3.8Å; L215-L223 HydrophobicContact CD1-CD2 4.04Å; L215-L223 HydrophobicContact CD2-CD1 4.13Å; L215-L223 HydrophobicContact CD2-CD2 3.86Å; L218-L223 HydrophobicContact CD1-CD1 4.24Å; S221-L223 PolarHBondContact O-N 3.01Å; L223-I225 HydrophobicContact CD2-CD1 3.93Å; L223-I225 HydrophobicContact CD2-CG1 4.32Å; L223-I225 HydrophobicContact CG-CD1 4.12Å; L223-I225 HydrophobicContact CG-CG1 3.95Å; L223-I244 HydrophobicContact CD2-CD1 3.81Å; L223-V251 HydrophobicContact CB-CB 4.44Å; L223-V251 HydrophobicContact CD2-CG2 4.49Å; L223-R252 PolarHBondContact N-O 3.41Å; L223-T253 CarbonylContact O-C 3.49Å; L223-T253 WeakPolarHBondContact O-CA 3.21Å; L223-A254 PolarHBondContact O-N 3.41Å
224	W	98.5	Very high	91.4	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.7	-175.5	-171.9	89.4	0	0	0	111.6	V95 F187 I188 T189 M190 P226 A254 P256 L260 L283 M284	V95-W224 VanDerWaalsContact O-CD1 3.28Å; V95-W224 PolarHBondContact O-NE1 2.89Å; F187-W224 HydrophobicContact CD1-CB 4.23Å; F187-W224 HydrophobicContact CE1-CB 3.38Å; F187-W224 AromaticContact CE1-CD1 4Å; F187-W224 HydrophobicContact CE1-CD2 4.33Å; F187-W224 AromaticContact CE1-CG 3.63Å; F187-W224 HydrophobicContact CE1-CG 3.63Å; F187-W224 HydrophobicContact CE2-CB 4.44Å; F187-W224 HydrophobicContact CZ-CB 3.53Å; F187-W224 AromaticContact CZ-CD1 3.34Å; F187-W224 HydrophobicContact CZ-CD2 4.36Å; F187-W224 AromaticContact CZ-CG 3.47Å; F187-W224 HydrophobicContact CZ-CG 3.47Å; F187-W224 VanDerWaalsContact CZ-CG 3.47Å; I188-W224 PolarHBondContact O-N 3.25Å; T189-W224 CarbonylContact C-O 3.33Å; T189-W224 VanDerWaalsContact CA-O 3.31Å; T189-W224 WeakPolarHBondContact CA-O 3.19Å; T189-W224 HydrophobicContact CG2-CB 4.32Å; T189-W224 HydrophobicContact CG2-CD2 4.13Å; T189-W224 HydrophobicContact CG2-CE3 3.5Å; T189-W224 VanDerWaalsContact CG2-CE3 3.5Å; T189-W224 HydrophobicContact CG2-CZ3 4.09Å; M190-W224 PolarHBondContact N-O 3.08Å; W224-P226 HydrophobicContact CE3-CB 4.43Å; W224-P226 HydrophobicContact CE3-CG 4.32Å; W224-P226 HydrophobicContact CH2-CB 4.04Å; W224-P226 HydrophobicContact CZ3-CB 3.73Å; W224-P226 HydrophobicContact CZ3-CG 3.8Å; W224-A254 CarbonylContact C-O 3.46Å; W224-A254 WeakPolarHBondContact CA-O 3.09Å; W224-A254 HydrophobicContact CB-CB 4.47Å; W224-A254 HydrophobicContact CG-CB 4.46Å; W224-P256 HydrophobicContact CD2-CG 4.47Å; W224-P256 HydrophobicContact CH2-CB 4.09Å; W224-P256 HydrophobicContact CH2-CG 3.73Å; W224-P256 HydrophobicContact CZ2-CB 3.27Å; W224-P256 HydrophobicContact CZ2-CG 3.34Å; W224-P256 HydrophobicContact CZ3-CG 4.44Å; W224-L260 HydrophobicContact CZ2-CD2 3.7Å; W224-L283 HydrophobicContact CH2-CD2 3.61Å; W224-L283 HydrophobicContact CZ2-CD2 4.29Å; W224-L283 HydrophobicContact CZ3-CD2 4.41Å; W224-M284 HydrophobicContact CE3-CE 4.43Å; W224-M284 HydrophobicContact CH2-CE 4.14Å; W224-M284 HydrophobicContact CZ2-CE 4.21Å; W224-M284 HydrophobicContact CZ3-CE 4.26Å
225	I	97.8	Very high	91.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.			trans	-114.2	108.6	-171.8	-51.3	-179	0	0	0	109.3	M190 L223 A227 V237 V240 A254 Y255 P256	M190-I225 HydrophobicContact CE-CB 4.4Å; M190-I225 HydrophobicContact CE-CD1 3.88Å; M190-I225 HydrophobicContact CE-CG1 3.9Å; M190-I225 HydrophobicContact CE-CG2 3.75Å; L223-I225 HydrophobicContact CD2-CD1 3.93Å; L223-I225 HydrophobicContact CD2-CG1 4.32Å; L223-I225 HydrophobicContact CG-CD1 4.12Å; L223-I225 HydrophobicContact CG-CG1 3.95Å; I225-A227 HydrophobicContact CG2-CB 4.49Å; I225-A227 PolarHBondContact O-N 2.99Å; I225-V237 HydrophobicContact CG2-CG1 4.43Å; I225-V237 HydrophobicContact CG2-CG2 4.1Å; I225-V240 HydrophobicContact CD1-CG1 4.01Å; I225-A254 PolarHBondContact N-O 2.71Å; I225-Y255 HydrophobicContact CB-CD1 4Å; I225-Y255 HydrophobicContact CB-CE1 3.86Å; I225-Y255 HydrophobicContact CD1-CE1 4.18Å; I225-Y255 HydrophobicContact CG1-CE1 4.47Å; I225-Y255 HydrophobicContact CG2-CD1 4.46Å; I225-Y255 HydrophobicContact CG2-CE1 4.21Å; I225-Y255 WeakPolarHBondContact O-CD1 3.43Å; I225-P256 VanDerWaalsContact O-CD 3.23Å; I225-P256 WeakPolarHBondContact O-CD 3.35Å
226	P	94.9	Very high	91.1	Very high	11 Å²	11	41 Å²	41	7%	0.071	22%	0.223	C	C	.	.			trans	-75.6	69	176.7	32.1	-33.7	0	0	0	111.6	M190 W224 F228 M229 P256	M190-P226 WeakPolarHBondContact O-CD 3.48Å; W224-P226 HydrophobicContact CE3-CB 4.43Å; W224-P226 HydrophobicContact CE3-CG 4.32Å; W224-P226 HydrophobicContact CH2-CB 4.04Å; W224-P226 HydrophobicContact CZ3-CB 3.73Å; W224-P226 HydrophobicContact CZ3-CG 3.8Å; P226-F228 VanDerWaalsContact C-N 3.26Å; P226-F228 PolarHBondContact O-N 3.47Å; P226-M229 HydrophobicContact CB-CG 3.64Å; P226-P256 HydrophobicContact CB-CG 4.05Å
227	A	89.5	Confident	91.1	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27	-171.7	0	0	0	0	0	114.3	L124 I225 V237 Y255	L124-A227 HydrophobicContact CD1-CB 4.08Å; I225-A227 HydrophobicContact CG2-CB 4.49Å; I225-A227 PolarHBondContact O-N 2.99Å; A227-V237 HydrophobicContact CB-CB 4.45Å; A227-V237 HydrophobicContact CB-CG1 3.77Å; A227-V237 HydrophobicContact CB-CG2 3.9Å; A227-Y255 HydrophobicContact CB-CD1 3.72Å; A227-Y255 HydrophobicContact CB-CE1 4.23Å
228	F	88	Confident	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	7.6	-169.1	-43.4	-50.8	0	0	0	113.6	V97 I108 Y110 V111 L118 I120 L124 P226 L258	V97-F228 HydrophobicContact CG2-CE2 4.08Å; V97-F228 HydrophobicContact CG2-CZ 4.41Å; I108-F228 HydrophobicContact CD1-CB 4.34Å; I108-F228 HydrophobicContact CD1-CD1 3.12Å; I108-F228 HydrophobicContact CD1-CE1 3.4Å; I108-F228 VanDerWaalsContact CD1-CE1 3.4Å; I108-F228 HydrophobicContact CD1-CG 3.78Å; I108-F228 HydrophobicContact CD1-CZ 4.26Å; Y110-F228 CarbonylContact C-O 3.17Å; Y110-F228 WeakPolarHBondContact CA-O 3.41Å; V111-F228 HydrophobicContact CG2-CB 4.18Å; V111-F228 WeakPolarHBondContact CG2-O 3.18Å; V111-F228 PolarHBondContact N-O 3.17Å; L118-F228 HydrophobicContact CD1-CD1 4.2Å; I120-F228 HydrophobicContact CD1-CE1 4.07Å; I120-F228 HydrophobicContact CD1-CZ 4.42Å; L124-F228 HydrophobicContact CD1-CE1 3.94Å; L124-F228 HydrophobicContact CD1-CZ 4.39Å; L124-F228 HydrophobicContact CD2-CE1 4.34Å; L124-F228 HydrophobicContact CD2-CZ 4.21Å; P226-F228 VanDerWaalsContact C-N 3.26Å; P226-F228 PolarHBondContact O-N 3.47Å; F228-L258 HydrophobicContact CB-CD2 3.44Å; F228-L258 VanDerWaalsContact CB-CD2 3.44Å; F228-L258 HydrophobicContact CD2-CD2 3.56Å; F228-L258 HydrophobicContact CE2-CD2 4.48Å; F228-L258 HydrophobicContact CG-CD2 3.63Å
229	M	85.9	Confident	91.4	Very high	19 Å²	19	41.9 Å²	41.9	9%	0.094	22%	0.216	C	C	.	.	S	Bend	trans	-77.3	-54.2	-166.1	-70.7	-62.2	141.2	0	0	114.1	V111 L112 P226 P256 I261	V111-M229 HydrophobicContact CB-CE 4.38Å; V111-M229 HydrophobicContact CB-SD 3.96Å; V111-M229 HydrophobicContact CG1-CE 4.43Å; V111-M229 HydrophobicContact CG1-SD 4.02Å; V111-M229 HydrophobicContact CG2-CE 4.04Å; V111-M229 HydrophobicContact CG2-SD 4.26Å; L112-M229 WeakPolarHBondContact CB-O 3.16Å; L112-M229 PolarHBondContact N-O 3.45Å; P226-M229 HydrophobicContact CB-CG 3.64Å; M229-P256 HydrophobicContact CE-CG 4.04Å; M229-I261 HydrophobicContact SD-CB 4.34Å; M229-I261 HydrophobicContact SD-CD1 4.24Å; M229-I261 HydrophobicContact SD-CG2 4.01Å
230	V	83.8	Confident	91.9	Very high	70 Å²	70	36.4 Å²	36.4	42%	0.424	19%	0.186	S	C	.	.	S	Bend	trans	-135.8	142.7	-172	-65	0	0	0	0	110.3	Y110 L112 G233	Y110-V230 VanDerWaalsContact CD1-C 3.43Å; Y110-V230 WeakPolarHBondContact CE1-O 3.29Å; L112-V230 HydrophobicContact CB-CG1 4.29Å; L112-V230 HydrophobicContact CD1-CG1 3.84Å; V230-G233 PolarHBondContact O-N 3.08Å
231	K	83.6	Confident	92.2	Very high	107 Å²	107	32.2 Å²	32.2	47%	0.465	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	144.1	170.1	-178.6	-179.8	175.4	-172.7	0	110.5	Y110 R116	Y110-K231 HydrophobicContact CD2-CB 4.23Å; Y110-K231 HydrophobicContact CE2-CB 4.06Å; Y110-K231 HydrophobicContact CE2-CG 4.33Å; R116-K231 HydrophobicContact CB-CD 4.33Å; R116-K231 HydrophobicContact CG-CD 3.9Å
232	G	80.5	Confident	92.2	Very high	47 Å²	47	33.6 Å²	33.6	49%	0.485	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	-12.4	-178.9	0	0	0	0	0	113.2	E234	G232-E234 WeakPolarHBondContact CA-OE2 3.32Å; G232-E234 PolarHBondContact N-OE2 3.33Å
233	G	84.4	Confident	92.2	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	18%	0.181	C	C	.	.			trans	-84.7	-17.7	175.5	0	0	0	0	0	114.1	V230 K235 H236 V237	V230-G233 PolarHBondContact O-N 3.08Å; G233-K235 PolarHBondContact O-N 3.14Å; G233-H236 PolarHBondContact O-N 3.47Å; G233-H236 VanDerWaalsContact O-N 3.14Å; G233-V237 WeakPolarHBondContact O-CG2 3.49Å; G233-V237 PolarHBondContact O-N 2.86Å
234	E	88.6	Confident	92.2	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.29	18%	0.182	S	C	.	.	H	α-helix	trans	-60.2	-41.5	-171.7	67.3	-74.1	-179	0	0	113	Y110 G232 H236 V237 E238	Y110-E234 WeakPolarHBondContact OH-CB 3.42Å; Y110-E234 VanDerWaalsContact OH-CD 3.28Å; Y110-E234 PolarHBondContact OH-OE2 2.82Å; G232-E234 WeakPolarHBondContact CA-OE2 3.32Å; G232-E234 PolarHBondContact N-OE2 3.33Å; E234-H236 PolarHBondContact O-N 3.19Å; E234-V237 PolarHBondContact O-N 3.38Å; E234-E238 WeakPolarHBondContact O-CB 3.26Å; E234-E238 PolarHBondContact O-N 2.79Å
235	K	91.1	Very high	92.1	Very high	134 Å²	134	37.6 Å²	37.6	58%	0.583	20%	0.197	S	C	*	.	H	α-helix	trans	-64	-41.8	177.2	-71.7	-173.6	176.8	-175.5	0	111.9	G233 V237 E238 W239	G233-K235 PolarHBondContact O-N 3.14Å; K235-V237 VanDerWaalsContact C-N 3.35Å; K235-E238 PolarHBondContact O-N 2.94Å; K235-W239 HydrophobicContact CB-CZ2 4.29Å; K235-W239 PolarHBondContact O-N 3.11Å
236	H	93.9	Very high	92.1	Very high	28 Å²	28	45.2 Å²	45.2	13%	0.13	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-40.1	177.8	-63.5	165.5	0	0	0	111.4	P192 V195 G233 E234 E238 W239 V240	P192-H236 HydrophobicContact CB-CB 4.06Å; P192-H236 PolarHBondContact O-ND1 2.89Å; V195-H236 HydrophobicContact CB-CB 3.99Å; V195-H236 HydrophobicContact CG1-CB 4.27Å; V195-H236 HydrophobicContact CG2-CB 4.01Å; G233-H236 PolarHBondContact O-N 3.47Å; G233-H236 VanDerWaalsContact O-N 3.14Å; E234-H236 PolarHBondContact O-N 3.19Å; H236-E238 VanDerWaalsContact C-N 3.35Å; H236-W239 AromaticContact CD2-CE3 3.73Å; H236-W239 AromaticContact CD2-CZ3 3.46Å; H236-W239 VanDerWaalsContact CD2-CZ3 3.46Å; H236-W239 WeakPolarHBondContact CD2-CZ3 3.41Å; H236-W239 PolarHBondContact O-N 3.38Å; H236-V240 VanDerWaalsContact O-CG2 3.27Å; H236-V240 WeakPolarHBondContact O-CG2 3.36Å; H236-V240 PolarHBondContact O-N 3.48Å
237	V	95.3	Very high	92.3	Very high	4 Å²	4	48 Å²	48	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-47.1	174.6	174.2	0	0	0	0	110.1	L124 P192 I225 A227 G233 E234 K235 W239 V240 N241 Y255	L124-V237 HydrophobicContact CD1-CG1 4.07Å; P192-V237 HydrophobicContact CB-CG2 4.15Å; P192-V237 HydrophobicContact CG-CG2 3.62Å; I225-V237 HydrophobicContact CG2-CG1 4.43Å; I225-V237 HydrophobicContact CG2-CG2 4.1Å; A227-V237 HydrophobicContact CB-CB 4.45Å; A227-V237 HydrophobicContact CB-CG1 3.77Å; A227-V237 HydrophobicContact CB-CG2 3.9Å; G233-V237 WeakPolarHBondContact O-CG2 3.49Å; G233-V237 PolarHBondContact O-N 2.86Å; E234-V237 PolarHBondContact O-N 3.38Å; K235-V237 VanDerWaalsContact C-N 3.35Å; V237-W239 PolarHBondContact O-N 3.34Å; V237-V240 PolarHBondContact O-N 3.01Å; V237-N241 WeakPolarHBondContact O-CB 3.46Å; V237-N241 PolarHBondContact O-N 3.44Å; V237-N241 PolarHBondContact O-OD1 2.92Å; V237-Y255 HydrophobicContact CG1-CE1 4.39Å
238	E	95.4	Very high	92.6	Very high	63 Å²	63	56.7 Å²	56.7	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-44.8	-179.9	-168.2	66.4	179.1	0	0	111.9	S121 E234 K235 H236 V240 N241 A242	S121-E238 WeakPolarHBondContact CB-OE1 3.4Å; S121-E238 VanDerWaalsContact CB-OE2 3.29Å; S121-E238 WeakPolarHBondContact CB-OE2 3.27Å; S121-E238 PolarHBondContact OG-OE1 3.05Å; S121-E238 PolarHBondContact OG-OE2 3.06Å; E234-E238 WeakPolarHBondContact O-CB 3.26Å; E234-E238 PolarHBondContact O-N 2.79Å; K235-E238 PolarHBondContact O-N 2.94Å; H236-E238 VanDerWaalsContact C-N 3.35Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.2Å; E238-N241 PolarHBondContact O-N 3.47Å; E238-A242 WeakPolarHBondContact O-CB 3.44Å; E238-A242 PolarHBondContact O-N 3.21Å
239	W	95.9	Very high	93	Very high	108 Å²	108	57.9 Å²	57.9	41%	0.409	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-40.8	176.1	-62	-23.5	0	0	0	112.8	V195 G201 F202 K235 H236 V237 L243	V195-W239 HydrophobicContact CG1-CE3 4.31Å; G201-W239 WeakPolarHBondContact O-CZ3 3.49Å; F202-W239 HydrophobicContact CD2-CB 3.79Å; F202-W239 HydrophobicContact CD2-CD2 4.46Å; F202-W239 AromaticContact CD2-CE3 3.98Å; F202-W239 HydrophobicContact CD2-CE3 3.98Å; F202-W239 HydrophobicContact CD2-CG 4.43Å; F202-W239 HydrophobicContact CE2-CB 3.93Å; K235-W239 HydrophobicContact CB-CZ2 4.29Å; K235-W239 PolarHBondContact O-N 3.11Å; H236-W239 AromaticContact CD2-CE3 3.73Å; H236-W239 AromaticContact CD2-CZ3 3.46Å; H236-W239 VanDerWaalsContact CD2-CZ3 3.46Å; H236-W239 WeakPolarHBondContact CD2-CZ3 3.41Å; H236-W239 PolarHBondContact O-N 3.38Å; V237-W239 PolarHBondContact O-N 3.34Å; W239-L243 WeakPolarHBondContact O-CB 3.21Å; W239-L243 VanDerWaalsContact O-CG 3.3Å; W239-L243 WeakPolarHBondContact O-CG 3.23Å; W239-L243 PolarHBondContact O-N 3Å
240	V	97.2	Very high	93.4	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-46.5	176.3	167.8	0	0	0	0	110.7	M190 V195 F202 F211 I225 H236 V237 E238 A242 L243 I244	M190-V240 HydrophobicContact CE-CB 4.17Å; M190-V240 HydrophobicContact CE-CG1 3.85Å; M190-V240 HydrophobicContact CE-CG2 3.87Å; M190-V240 HydrophobicContact SD-CG1 3.99Å; M190-V240 HydrophobicContact SD-CG2 3.99Å; V195-V240 HydrophobicContact CG2-CG2 3.57Å; F202-V240 HydrophobicContact CE2-CG2 4.04Å; F202-V240 HydrophobicContact CZ-CG2 4.17Å; F211-V240 HydrophobicContact CE1-CB 4.28Å; F211-V240 HydrophobicContact CE1-CG1 3.94Å; F211-V240 HydrophobicContact CE1-CG2 3.84Å; F211-V240 HydrophobicContact CE2-CG2 4.18Å; F211-V240 HydrophobicContact CZ-CB 4.12Å; F211-V240 HydrophobicContact CZ-CG1 3.68Å; F211-V240 HydrophobicContact CZ-CG2 3.44Å; F211-V240 VanDerWaalsContact CZ-CG2 3.44Å; I225-V240 HydrophobicContact CD1-CG1 4.01Å; H236-V240 VanDerWaalsContact O-CG2 3.27Å; H236-V240 WeakPolarHBondContact O-CG2 3.36Å; H236-V240 PolarHBondContact O-N 3.48Å; V237-V240 PolarHBondContact O-N 3.01Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.2Å; V240-A242 PolarHBondContact O-N 3.24Å; V240-L243 PolarHBondContact O-N 3.09Å; V240-I244 HydrophobicContact CG1-CD1 3.77Å; V240-I244 HydrophobicContact CG1-CG1 4.44Å; V240-I244 VanDerWaalsContact O-CG1 3.31Å; V240-I244 WeakPolarHBondContact O-CG1 3.5Å; V240-I244 PolarHBondContact O-N 3.28Å
241	N	97.8	Very high	93.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-47.6	178.5	-68.8	-9.7	0	0	0	111.3	D123 L124 L127 V237 E238 L243 I244 L245 Y255	D123-N241 HydrophobicContact CB-CB 4.06Å; L124-N241 WeakPolarHBondContact CA-ND2 3.5Å; L124-N241 WeakPolarHBondContact CB-ND2 3.4Å; L127-N241 HydrophobicContact CD1-CB 3.55Å; V237-N241 WeakPolarHBondContact O-CB 3.46Å; V237-N241 PolarHBondContact O-N 3.44Å; V237-N241 PolarHBondContact O-OD1 2.92Å; E238-N241 PolarHBondContact O-N 3.47Å; N241-L243 VanDerWaalsContact C-N 3.32Å; N241-L243 PolarHBondContact O-N 2.94Å; N241-I244 PolarHBondContact O-N 2.99Å; N241-L245 WeakPolarHBondContact O-CG 3.46Å; N241-L245 PolarHBondContact O-N 3.1Å; N241-Y255 PolarHBondContact OD1-OH 2.86Å
242	A	97.7	Very high	94.5	Very high	37 Å²	37	60.9 Å²	60.9	31%	0.306	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-41.3	177	0	0	0	0	0	112	D123 E238 V240 L245 K246	D123-A242 WeakPolarHBondContact OD2-CA 3.47Å; E238-A242 WeakPolarHBondContact O-CB 3.44Å; E238-A242 PolarHBondContact O-N 3.21Å; V240-A242 PolarHBondContact O-N 3.24Å; A242-L245 PolarHBondContact O-N 3.36Å; A242-K246 WeakPolarHBondContact O-CB 3.21Å; A242-K246 PolarHBondContact O-N 2.85Å
243	L	97.6	Very high	95.4	Very high	21 Å²	21	59 Å²	59	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-39.5	176.3	-75.3	173.5	0	0	0	112.6	F202 F211 V212 W239 V240 N241 N247	F202-L243 HydrophobicContact CD2-CD1 4.11Å; F202-L243 HydrophobicContact CE1-CD1 4.36Å; F202-L243 HydrophobicContact CE2-CD1 3.71Å; F202-L243 HydrophobicContact CZ-CD1 3.86Å; F211-L243 HydrophobicContact CD1-CD1 3.91Å; F211-L243 HydrophobicContact CE1-CD1 4.39Å; V212-L243 HydrophobicContact CG2-CB 4.48Å; V212-L243 HydrophobicContact CG2-CD2 4.26Å; W239-L243 WeakPolarHBondContact O-CB 3.21Å; W239-L243 VanDerWaalsContact O-CG 3.3Å; W239-L243 WeakPolarHBondContact O-CG 3.23Å; W239-L243 PolarHBondContact O-N 3Å; V240-L243 PolarHBondContact O-N 3.09Å; N241-L243 VanDerWaalsContact C-N 3.32Å; N241-L243 PolarHBondContact O-N 2.94Å; L243-N247 WeakPolarHBondContact O-CB 3.31Å; L243-N247 PolarHBondContact O-N 3.48Å; L243-N247 VanDerWaalsContact O-N 3.09Å; L243-N247 PolarHBondContact O-ND2 2.92Å
244	I	97.9	Very high	96	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-48.4	175.9	-70.2	164.8	0	0	0	110.1	L127 L215 L223 V240 N241 K248 L249 V251 T253	L127-I244 HydrophobicContact CD1-CB 4.34Å; L127-I244 HydrophobicContact CD1-CD1 4.45Å; L127-I244 HydrophobicContact CD1-CG2 4.29Å; L127-I244 HydrophobicContact CD2-CG2 3.83Å; L215-I244 HydrophobicContact CD1-CD1 4.08Å; L215-I244 HydrophobicContact CD1-CG1 3.7Å; L223-I244 HydrophobicContact CD2-CD1 3.81Å; V240-I244 HydrophobicContact CG1-CD1 3.77Å; V240-I244 HydrophobicContact CG1-CG1 4.44Å; V240-I244 VanDerWaalsContact O-CG1 3.31Å; V240-I244 WeakPolarHBondContact O-CG1 3.5Å; V240-I244 PolarHBondContact O-N 3.28Å; N241-I244 PolarHBondContact O-N 2.99Å; I244-K248 PolarHBondContact O-N 3.25Å; I244-L249 HydrophobicContact CG1-CD1 4.35Å; I244-L249 HydrophobicContact CG2-CB 4.37Å; I244-L249 PolarHBondContact O-N 2.97Å; I244-V251 HydrophobicContact CD1-CG2 4.22Å; I244-V251 HydrophobicContact CG1-CG2 4.27Å; I244-V251 HydrophobicContact CG2-CG2 3.9Å; I244-T253 HydrophobicContact CD1-CG2 4.08Å
245	L	98	Very high	96.5	Very high	65 Å²	65	55.7 Å²	55.7	34%	0.34	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-50.1	-179.3	-67.3	168.9	0	0	0	111.8	D123 S126 L127 N241 A242 N247 K248	D123-L245 HydrophobicContact CB-CD1 3.77Å; S126-L245 WeakPolarHBondContact OG-CD1 3.26Å; L127-L245 HydrophobicContact CD1-CD1 4.49Å; L127-L245 HydrophobicContact CD1-CG 4.25Å; L127-L245 HydrophobicContact CD2-CD2 3.67Å; L127-L245 HydrophobicContact CD2-CG 4.13Å; L127-L245 HydrophobicContact CG-CD1 4.44Å; L127-L245 HydrophobicContact CG-CD2 4.03Å; L127-L245 HydrophobicContact CG-CG 4.18Å; N241-L245 WeakPolarHBondContact O-CG 3.46Å; N241-L245 PolarHBondContact O-N 3.1Å; A242-L245 PolarHBondContact O-N 3.36Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 3.36Å; L245-K248 PolarHBondContact O-N 3.23Å; L245-K248 VanDerWaalsContact O-N 3.13Å
246	K	97.9	Very high	96.7	Very high	161 Å²	161	49.3 Å²	49.3	70%	0.7	23%	0.228	S	C	*	.	H	α-helix	trans	-56.2	-42.3	-179.8	-178.3	-177.1	177.2	-172.1	0	111.9	A242	A242-K246 WeakPolarHBondContact O-CB 3.21Å; A242-K246 PolarHBondContact O-N 2.85Å
247	N	97.4	Very high	96.8	Very high	69 Å²	69	48.5 Å²	48.5	37%	0.369	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	3.7	-177.1	-62.6	-81.1	0	0	0	113.4	V212 L243 L245 L249	V212-N247 HydrophobicContact CG1-CB 4.17Å; L243-N247 WeakPolarHBondContact O-CB 3.31Å; L243-N247 PolarHBondContact O-N 3.48Å; L243-N247 VanDerWaalsContact O-N 3.09Å; L243-N247 PolarHBondContact O-ND2 2.92Å; L245-N247 VanDerWaalsContact C-N 3.28Å; L245-N247 PolarHBondContact O-N 3.36Å; N247-L249 HydrophobicContact CB-CD1 4.49Å; N247-L249 HydrophobicContact CB-CD2 3.76Å; N247-L249 HydrophobicContact CB-CG 3.87Å; N247-L249 PolarHBondContact O-N 3.38Å
248	K	96.4	Very high	96.7	Very high	185 Å²	185	51.2 Å²	51.2	80%	0.804	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.8	-179.9	-56.1	178.8	-177.5	177	0	112.6	I244 L245 K250	I244-K248 PolarHBondContact O-N 3.25Å; L245-K248 PolarHBondContact O-N 3.23Å; L245-K248 VanDerWaalsContact O-N 3.13Å; K248-K250 PolarHBondContact O-N 3.32Å
249	L	96.2	Very high	96.7	Very high	25 Å²	25	53.7 Å²	53.7	13%	0.131	25%	0.246	C	C	.	.			trans	-69.2	132.6	-174.3	-58.4	-177.5	0	0	0	111.1	V212 L215 I244 N247 V251	V212-L249 HydrophobicContact CG1-CD1 4.44Å; V212-L249 HydrophobicContact CG1-CD2 4.13Å; L215-L249 HydrophobicContact CB-CD1 3.62Å; L215-L249 HydrophobicContact CD1-CD1 3.98Å; L215-L249 HydrophobicContact CG-CD1 4.43Å; I244-L249 HydrophobicContact CG1-CD1 4.35Å; I244-L249 HydrophobicContact CG2-CB 4.37Å; I244-L249 PolarHBondContact O-N 2.97Å; N247-L249 HydrophobicContact CB-CD1 4.49Å; N247-L249 HydrophobicContact CB-CD2 3.76Å; N247-L249 HydrophobicContact CB-CG 3.87Å; N247-L249 PolarHBondContact O-N 3.38Å; L249-V251 VanDerWaalsContact C-N 3.29Å; L249-V251 HydrophobicContact CB-CG2 4.37Å; L249-V251 PolarHBondContact O-N 2.67Å
250	K	93.8	Very high	96.7	Very high	146 Å²	146	48.6 Å²	48.6	64%	0.635	23%	0.227	S	C	*	.			trans	-79.6	75.7	177.1	-64.5	-175	179.9	-178.3	0	110.7	D220 K248	D220-K250 PolarHBondContact N-O 3.22Å; K248-K250 PolarHBondContact O-N 3.32Å
251	V	95.4	Very high	96.6	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.109	23%	0.23	C	C	.	.			trans	-131.1	137.9	175.5	-66	0	0	0	0	110	L215 L218 L223 I244 L249 T253	L215-V251 WeakPolarHBondContact O-CG1 3.05Å; L218-V251 HydrophobicContact CB-CG1 3.93Å; L218-V251 HydrophobicContact CD1-CG1 4.24Å; L223-V251 HydrophobicContact CB-CB 4.44Å; L223-V251 HydrophobicContact CD2-CG2 4.49Å; I244-V251 HydrophobicContact CD1-CG2 4.22Å; I244-V251 HydrophobicContact CG1-CG2 4.27Å; I244-V251 HydrophobicContact CG2-CG2 3.9Å; L249-V251 VanDerWaalsContact C-N 3.29Å; L249-V251 HydrophobicContact CB-CG2 4.37Å; L249-V251 PolarHBondContact O-N 2.67Å; V251-T253 HydrophobicContact CG2-CG2 4.26Å; V251-T253 PolarHBondContact O-N 3.26Å
252	R	97.1	Very high	96.5	Very high	94 Å²	94	52.4 Å²	52.4	36%	0.355	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	103.3	174.3	-69	-176.1	-67.1	138.9	1.1	108.7	D220 S221 V222 L223	D220-R252 PolarHBondContact O-NE 3.32Å; D220-R252 PolarHBondContact O-NH2 2.89Å; S221-R252 PolarHBondContact O-N 3.23Å; V222-R252 CarbonylContact C-O 3.41Å; V222-R252 WeakPolarHBondContact CA-O 3.42Å; V222-R252 HydrophobicContact CG2-CB 4.49Å; L223-R252 PolarHBondContact N-O 3.41Å
253	T	97.9	Very high	96.5	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	150.2	-179.6	76.9	0	0	0	0	111.8	L127 L223 I244 V251 Y255	L127-T253 HydrophobicContact CB-CG2 4.36Å; L127-T253 HydrophobicContact CD1-CG2 4.46Å; L127-T253 HydrophobicContact CD2-CG2 4.34Å; L127-T253 PolarHBondContact O-OG1 3.14Å; L223-T253 CarbonylContact O-C 3.49Å; L223-T253 WeakPolarHBondContact O-CA 3.21Å; I244-T253 HydrophobicContact CD1-CG2 4.08Å; V251-T253 HydrophobicContact CG2-CG2 4.26Å; V251-T253 PolarHBondContact O-N 3.26Å; T253-Y255 WeakPolarHBondContact OG1-CE2 3.23Å
254	A	98.1	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.7	176.3	0	0	0	0	0	109.7	S96 P133 V222 L223 W224 I225	S96-A254 WeakPolarHBondContact OG-CA 3.23Å; P133-A254 HydrophobicContact CG-CB 4.15Å; V222-A254 HydrophobicContact CG1-CB 3.65Å; L223-A254 PolarHBondContact O-N 3.41Å; W224-A254 CarbonylContact C-O 3.46Å; W224-A254 WeakPolarHBondContact CA-O 3.09Å; W224-A254 HydrophobicContact CB-CB 4.47Å; W224-A254 HydrophobicContact CG-CB 4.46Å; I225-A254 PolarHBondContact N-O 2.71Å
255	Y	97.6	Very high	96.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.247	C	C	.	.			trans	-126.4	108.7	-177.4	-59	-94	0	0	0	108.9	S96 V97 L124 L127 L128 I225 A227 V237 N241 T253	S96-Y255 CarbonylContact C-O 3.48Å; S96-Y255 WeakPolarHBondContact CA-O 3.3Å; S96-Y255 PolarHBondContact OG-N 2.68Å; S96-Y255 PolarHBondContact OG-O 2.81Å; V97-Y255 PolarHBondContact N-O 2.85Å; L124-Y255 HydrophobicContact CD1-CE1 4.35Å; L124-Y255 HydrophobicContact CG-CE1 4.29Å; L127-Y255 HydrophobicContact CB-CE2 4.22Å; L128-Y255 HydrophobicContact CD2-CD2 3.52Å; L128-Y255 HydrophobicContact CD2-CE2 4.11Å; L128-Y255 HydrophobicContact CD2-CG 4.08Å; I225-Y255 HydrophobicContact CB-CD1 4Å; I225-Y255 HydrophobicContact CB-CE1 3.86Å; I225-Y255 HydrophobicContact CD1-CE1 4.18Å; I225-Y255 HydrophobicContact CG1-CE1 4.47Å; I225-Y255 HydrophobicContact CG2-CD1 4.46Å; I225-Y255 HydrophobicContact CG2-CE1 4.21Å; I225-Y255 WeakPolarHBondContact O-CD1 3.43Å; A227-Y255 HydrophobicContact CB-CD1 3.72Å; A227-Y255 HydrophobicContact CB-CE1 4.23Å; V237-Y255 HydrophobicContact CG1-CE1 4.39Å; N241-Y255 PolarHBondContact OD1-OH 2.86Å; T253-Y255 WeakPolarHBondContact OG1-CE2 3.23Å
256	P	97	Very high	96.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.24	C	C	.	.			trans	-58.2	151.3	-169	23.7	-33.7	0	0	0	114.1	V95 W224 I225 P226 M229 L260	V95-P256 WeakPolarHBondContact O-CA 2.95Å; W224-P256 HydrophobicContact CD2-CG 4.47Å; W224-P256 HydrophobicContact CH2-CB 4.09Å; W224-P256 HydrophobicContact CH2-CG 3.73Å; W224-P256 HydrophobicContact CZ2-CB 3.27Å; W224-P256 HydrophobicContact CZ2-CG 3.34Å; W224-P256 HydrophobicContact CZ3-CG 4.44Å; I225-P256 VanDerWaalsContact O-CD 3.23Å; I225-P256 WeakPolarHBondContact O-CD 3.35Å; P226-P256 HydrophobicContact CB-CG 4.05Å; M229-P256 HydrophobicContact CE-CG 4.04Å; P256-L260 HydrophobicContact CB-CD2 3.71Å
257	S	95.4	Very high	96.4	Very high	11 Å²	11	45.5 Å²	45.5	8%	0.077	21%	0.209	C	C	.	.			trans	-59.1	149.1	174.5	79.3	0	0	0	0	111.4	D94 R259 L260	D94-S257 PolarHBondContact O-N 3.33Å; D94-S257 VanDerWaalsContact O-N 3.09Å; D94-S257 PolarHBondContact OD1-OG 2.96Å; S257-R259 PolarHBondContact O-N 2.92Å; S257-R259 WeakPolarHBondContact OG-CG 3.39Å; S257-L260 PolarHBondContact O-N 3.35Å; S257-L260 VanDerWaalsContact O-N 3.15Å; S257-L260 PolarHBondContact OG-N 3.16Å
258	L	94.1	Very high	96.4	Very high	61 Å²	61	42.5 Å²	42.5	32%	0.319	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.2	-179.4	-58.7	178	0	0	0	113.2	V111 F228	V111-L258 WeakPolarHBondContact CG1-O 3.41Å; V111-L258 HydrophobicContact CG2-CB 4.18Å; V111-L258 HydrophobicContact CG2-CD2 3.88Å; V111-L258 WeakPolarHBondContact CG2-O 3.13Å; F228-L258 HydrophobicContact CB-CD2 3.44Å; F228-L258 VanDerWaalsContact CB-CD2 3.44Å; F228-L258 HydrophobicContact CD2-CD2 3.56Å; F228-L258 HydrophobicContact CE2-CD2 4.48Å; F228-L258 HydrophobicContact CG-CD2 3.63Å
259	R	94.6	Very high	96.4	Very high	115 Å²	115	36.7 Å²	36.7	43%	0.434	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-17.4	179.9	69.3	175.9	-172.6	119.8	-1.8	114.5	F88 D94 S257 I261 H262 A263	F88-R259 PolarHBondContact O-NH1 2.93Å; D94-R259 IonicContact OD1-CZ 2.99Å; D94-R259 IonicContact OD1-NE 3.09Å; D94-R259 PolarHBondContact OD1-NE 2.01Å; D94-R259 IonicContact OD1-NH2 2.81Å; D94-R259 PolarHBondContact OD1-NH2 3.24Å; D94-R259 IonicContact OD2-CZ 2.7Å; D94-R259 VanDerWaalsContact OD2-CZ 3.25Å; D94-R259 IonicContact OD2-NE 3.16Å; D94-R259 IonicContact OD2-NH1 3.74Å; D94-R259 IonicContact OD2-NH2 3.89Å; D94-R259 PolarHBondContact OD2-NH2 2.87Å; S257-R259 PolarHBondContact O-N 2.92Å; S257-R259 WeakPolarHBondContact OG-CG 3.39Å; R259-I261 PolarHBondContact O-N 3.29Å; R259-H262 WeakPolarHBondContact O-CB 3.13Å; R259-H262 PolarHBondContact O-N 2.75Å; R259-A263 PolarHBondContact O-N 3.26Å
260	L	96.4	Very high	96.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-53.6	-50	-166.4	171	61.5	0	0	0	113.2	L89 D94 W224 P256 S257 H262 A263 V264 L283 L287	L89-L260 HydrophobicContact CB-CD1 4.49Å; L89-L260 HydrophobicContact CD2-CD1 4.16Å; D94-L260 HydrophobicContact CB-CB 4.26Å; D94-L260 HydrophobicContact CB-CD1 3.92Å; W224-L260 HydrophobicContact CZ2-CD2 3.7Å; P256-L260 HydrophobicContact CB-CD2 3.71Å; S257-L260 PolarHBondContact O-N 3.35Å; S257-L260 VanDerWaalsContact O-N 3.15Å; S257-L260 PolarHBondContact OG-N 3.16Å; L260-H262 VanDerWaalsContact C-N 3.26Å; L260-H262 PolarHBondContact O-N 2.99Å; L260-A263 PolarHBondContact O-N 3.44Å; L260-V264 HydrophobicContact CD1-CG2 3.81Å; L260-V264 HydrophobicContact CG-CG2 4.48Å; L260-V264 VanDerWaalsContact O-CG2 3.26Å; L260-V264 WeakPolarHBondContact O-CG2 3.32Å; L260-V264 PolarHBondContact O-N 2.84Å; L260-L283 HydrophobicContact CD1-CD1 4.33Å; L260-L283 HydrophobicContact CD2-CD1 4.27Å; L260-L283 HydrophobicContact CG-CD1 4.08Å; L260-L287 HydrophobicContact CD1-CD2 3.58Å; L260-L287 HydrophobicContact CD1-CG 4.18Å; L260-L287 HydrophobicContact CD2-CD1 4Å; L260-L287 HydrophobicContact CD2-CD2 4.29Å; L260-L287 HydrophobicContact CD2-CG 4.47Å
261	I	95.4	Very high	96.5	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-33.6	-177.8	-164.8	169.7	0	0	0	112.2	V111 L112 M229 R259 R265 R277	V111-I261 HydrophobicContact CG1-CG2 3.39Å; L112-I261 HydrophobicContact CD2-CG2 4.45Å; M229-I261 HydrophobicContact SD-CB 4.34Å; M229-I261 HydrophobicContact SD-CD1 4.24Å; M229-I261 HydrophobicContact SD-CG2 4.01Å; R259-I261 PolarHBondContact O-N 3.29Å; I261-R265 VanDerWaalsContact O-CB 3.26Å; I261-R265 WeakPolarHBondContact O-CB 3.25Å; I261-R265 PolarHBondContact O-N 2.98Å; I261-R277 HydrophobicContact CD1-CG 3.93Å
262	H	95.2	Very high	96.5	Very high	66 Å²	66	43 Å²	43	31%	0.306	21%	0.206	S	C	.	.	H	α-helix	trans	-73.4	-39.3	177.2	-66.2	-57.4	0	0	0	111.2	V111 R259 L260 R265 G266	V111-H262 VanDerWaalsContact CG1-NE2 3.33Å; V111-H262 WeakPolarHBondContact CG1-NE2 3.35Å; V111-H262 PolarHBondContact O-NE2 3.1Å; R259-H262 WeakPolarHBondContact O-CB 3.13Å; R259-H262 PolarHBondContact O-N 2.75Å; L260-H262 VanDerWaalsContact C-N 3.26Å; L260-H262 PolarHBondContact O-N 2.99Å; H262-R265 PolarHBondContact O-N 3.2Å; H262-G266 PolarHBondContact O-N 2.79Å
263	A	97.1	Very high	96.4	Very high	14 Å²	14	39.3 Å²	39.3	12%	0.116	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-47.4	174.6	0	0	0	0	0	111.6	F88 L89 R259 L260 G266 Y267	F88-A263 HydrophobicContact CB-CB 4.41Å; F88-A263 WeakPolarHBondContact O-CB 3.47Å; L89-A263 HydrophobicContact CB-CB 4.14Å; R259-A263 PolarHBondContact O-N 3.26Å; L260-A263 PolarHBondContact O-N 3.44Å; A263-G266 PolarHBondContact O-N 3.01Å; A263-Y267 PolarHBondContact O-N 3.38Å
264	V	97.6	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-47	177	170.6	0	0	0	0	110.5	L89 L260 G266 Y267 W268 P278 L283 T286	L89-V264 HydrophobicContact CD2-CG2 3.42Å; L89-V264 VanDerWaalsContact CD2-CG2 3.42Å; L260-V264 HydrophobicContact CD1-CG2 3.81Å; L260-V264 HydrophobicContact CG-CG2 4.48Å; L260-V264 VanDerWaalsContact O-CG2 3.26Å; L260-V264 WeakPolarHBondContact O-CG2 3.32Å; L260-V264 PolarHBondContact O-N 2.84Å; V264-G266 VanDerWaalsContact C-N 3.3Å; V264-G266 PolarHBondContact O-N 3.1Å; V264-Y267 PolarHBondContact O-N 3.04Å; V264-W268 PolarHBondContact O-N 3.46Å; V264-P278 HydrophobicContact CG1-CB 4.22Å; V264-P278 HydrophobicContact CG1-CG 3.88Å; V264-L283 HydrophobicContact CB-CD1 3.99Å; V264-L283 HydrophobicContact CG1-CD1 4Å; V264-L283 HydrophobicContact CG2-CD1 3.47Å; V264-L283 VanDerWaalsContact CG2-CD1 3.47Å; V264-T286 HydrophobicContact CG1-CG2 4.14Å; V264-T286 HydrophobicContact CG2-CG2 4.16Å
265	R	96.4	Very high	95.6	Very high	99 Å²	99	42.3 Å²	42.3	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-58.6	-43.3	174.4	-179.7	-179.2	172.5	-86.3	-1.5	111.6	I261 H262 W268 L269 I275 K276 P278	I261-R265 VanDerWaalsContact O-CB 3.26Å; I261-R265 WeakPolarHBondContact O-CB 3.25Å; I261-R265 PolarHBondContact O-N 2.98Å; H262-R265 PolarHBondContact O-N 3.2Å; R265-W268 PolarHBondContact O-N 2.71Å; R265-L269 HydrophobicContact CG-CD1 3.86Å; R265-L269 HydrophobicContact CG-CG 4.29Å; R265-L269 VanDerWaalsContact NH1-CD1 3.33Å; R265-L269 WeakPolarHBondContact O-CB 3.48Å; R265-L269 VanDerWaalsContact O-CG 3.29Å; R265-L269 WeakPolarHBondContact O-CG 3.47Å; R265-L269 PolarHBondContact O-N 2.79Å; R265-I275 PolarHBondContact NE-O 3.29Å; R265-K276 WeakPolarHBondContact CD-O 3.5Å; R265-K276 PolarHBondContact NE-O 3.46Å; R265-P278 HydrophobicContact CB-CG 4.28Å
266	G	97.4	Very high	95.2	Very high	19 Å²	19	48.2 Å²	48.2	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-49	177.8	0	0	0	0	0	112	F88 H262 A263 V264 W268 L269 T270	F88-G266 VanDerWaalsContact CE1-C 3.49Å; H262-G266 PolarHBondContact O-N 2.79Å; A263-G266 PolarHBondContact O-N 3.01Å; V264-G266 VanDerWaalsContact C-N 3.3Å; V264-G266 PolarHBondContact O-N 3.1Å; G266-W268 PolarHBondContact O-N 3.08Å; G266-L269 PolarHBondContact O-N 3.37Å; G266-T270 PolarHBondContact O-N 3.09Å; G266-T270 PolarHBondContact O-OG1 3.48Å
267	Y	97.9	Very high	94.9	Very high	11 Å²	11	51.4 Å²	51.4	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-51.7	176.5	170.6	-101.7	0	0	0	112	N84 I85 F88 A263 V264 L269 T270 N271 T286	N84-Y267 HydrophobicContact CB-CE2 4.05Å; I85-Y267 HydrophobicContact CB-CE2 4.44Å; I85-Y267 HydrophobicContact CD1-CD1 4.45Å; I85-Y267 HydrophobicContact CD1-CE1 3.93Å; I85-Y267 HydrophobicContact CD1-CE2 4.38Å; I85-Y267 HydrophobicContact CG1-CD1 3.99Å; I85-Y267 HydrophobicContact CG1-CD2 3.71Å; I85-Y267 HydrophobicContact CG1-CE1 3.71Å; I85-Y267 HydrophobicContact CG1-CE2 3.4Å; I85-Y267 HydrophobicContact CG1-CG 4Å; F88-Y267 AromaticContact CD2-CD2 3.84Å; F88-Y267 HydrophobicContact CD2-CD2 3.84Å; F88-Y267 HydrophobicContact CD2-CG 4.36Å; F88-Y267 AromaticContact CE2-CD2 3.92Å; F88-Y267 HydrophobicContact CE2-CD2 3.92Å; A263-Y267 PolarHBondContact O-N 3.38Å; V264-Y267 PolarHBondContact O-N 3.04Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.93Å; Y267-T270 PolarHBondContact O-N 3.07Å; Y267-N271 WeakPolarHBondContact CD2-ND2 3.41Å; Y267-N271 VanDerWaalsContact CE2-ND2 3.27Å; Y267-N271 WeakPolarHBondContact CE2-ND2 3.33Å; Y267-N271 PolarHBondContact O-N 3.19Å; Y267-N271 VanDerWaalsContact O-N 3.12Å; Y267-N271 PolarHBondContact O-ND2 3.12Å; Y267-T286 HydrophobicContact CD1-CG2 4.37Å
268	W	97.6	Very high	94.9	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-36.7	-178.6	-70.5	111.6	0	0	0	112.7	V264 R265 G266 N271 K272 V273 I275 L282 Y285 T286 T339 L343	V264-W268 PolarHBondContact O-N 3.46Å; R265-W268 PolarHBondContact O-N 2.71Å; G266-W268 PolarHBondContact O-N 3.08Å; W268-N271 CarbonylContact O-C 3.53Å; W268-N271 PolarHBondContact O-N 3.44Å; W268-K272 PolarHBondContact O-N 3.12Å; W268-V273 CarbonylContact C-O 3.34Å; W268-V273 HydrophobicContact CB-CB 4.33Å; W268-V273 HydrophobicContact CE3-CB 4.27Å; W268-V273 HydrophobicContact CE3-CG2 3.99Å; W268-V273 WeakPolarHBondContact O-CA 3.43Å; W268-V273 WeakPolarHBondContact O-CB 3.46Å; W268-V273 PolarHBondContact O-N 3.03Å; W268-I275 HydrophobicContact CB-CG1 3.94Å; W268-I275 HydrophobicContact CG-CG1 4.41Å; W268-L282 HydrophobicContact CD2-CD1 4.45Å; W268-L282 HydrophobicContact CD2-CD2 4.39Å; W268-L282 HydrophobicContact CG-CD2 4.3Å; W268-L282 HydrophobicContact CH2-CD1 4.11Å; W268-L282 HydrophobicContact CZ2-CD1 3.45Å; W268-L282 VanDerWaalsContact CZ2-CD1 3.45Å; W268-L282 HydrophobicContact CZ2-CG 4.24Å; W268-Y285 HydrophobicContact CH2-CD1 4.4Å; W268-Y285 AromaticContact CH2-CE1 3.97Å; W268-Y285 HydrophobicContact CH2-CE1 3.97Å; W268-Y285 AromaticContact CZ2-CD1 3.97Å; W268-Y285 HydrophobicContact CZ2-CD1 3.97Å; W268-Y285 AromaticContact CZ2-CE1 3.9Å; W268-Y285 HydrophobicContact CZ2-CE1 3.9Å; W268-T286 PolarHBondContact NE1-OG1 2.84Å; W268-T339 HydrophobicContact CE3-CG2 4.08Å; W268-T339 HydrophobicContact CH2-CG2 4.19Å; W268-T339 HydrophobicContact CZ3-CG2 3.45Å; W268-T339 VanDerWaalsContact CZ3-CG2 3.45Å; W268-L343 HydrophobicContact CH2-CD1 3.93Å; W268-L343 HydrophobicContact CZ3-CD1 4.41Å
269	L	96.4	Very high	95.1	Very high	63 Å²	63	48.9 Å²	48.9	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-42.7	175.7	-72.8	174.4	0	0	0	113	R265 G266 Y267 N271 K272	R265-L269 HydrophobicContact CG-CD1 3.86Å; R265-L269 HydrophobicContact CG-CG 4.29Å; R265-L269 VanDerWaalsContact NH1-CD1 3.33Å; R265-L269 WeakPolarHBondContact O-CB 3.48Å; R265-L269 VanDerWaalsContact O-CG 3.29Å; R265-L269 WeakPolarHBondContact O-CG 3.47Å; R265-L269 PolarHBondContact O-N 2.79Å; G266-L269 PolarHBondContact O-N 3.37Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.93Å; L269-N271 PolarHBondContact O-N 3.13Å; L269-K272 PolarHBondContact O-N 3.13Å
270	T	96.8	Very high	95.2	Very high	90 Å²	90	44.6 Å²	44.6	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-59.2	-35.8	175	-64	0	0	0	0	110.8	F88 G266 Y267 K272	F88-T270 HydrophobicContact CZ-CG2 4.23Å; G266-T270 PolarHBondContact O-N 3.09Å; G266-T270 PolarHBondContact O-OG1 3.48Å; Y267-T270 PolarHBondContact O-N 3.07Å; T270-K272 PolarHBondContact O-N 3.07Å
271	N	94.8	Very high	95.3	Very high	68 Å²	68	45 Å²	45	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	25.6	175.4	-69.3	-84	0	0	0	113.6	Y267 W268 L269 V273	Y267-N271 WeakPolarHBondContact CD2-ND2 3.41Å; Y267-N271 VanDerWaalsContact CE2-ND2 3.27Å; Y267-N271 WeakPolarHBondContact CE2-ND2 3.33Å; Y267-N271 PolarHBondContact O-N 3.19Å; Y267-N271 VanDerWaalsContact O-N 3.12Å; Y267-N271 PolarHBondContact O-ND2 3.12Å; W268-N271 CarbonylContact O-C 3.53Å; W268-N271 PolarHBondContact O-N 3.44Å; L269-N271 PolarHBondContact O-N 3.13Å; N271-V273 PolarHBondContact O-N 3.33Å; N271-V273 VanDerWaalsContact O-N 3.11Å
272	K	95.1	Very high	95.4	Very high	163 Å²	163	44.4 Å²	44.4	71%	0.709	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.3	173.7	-47.8	-60.5	-175.2	178.4	0	115	W268 L269 T270 P274	W268-K272 PolarHBondContact O-N 3.12Å; L269-K272 PolarHBondContact O-N 3.13Å; T270-K272 PolarHBondContact O-N 3.07Å; K272-P274 VanDerWaalsContact O-CD 3.28Å; K272-P274 WeakPolarHBondContact O-CD 3.37Å
273	V	94.7	Very high	95.5	Very high	17 Å²	17	41.9 Å²	41.9	10%	0.103	21%	0.214	C	C	.	.			trans	-100.5	103.7	172.1	-169.8	0	0	0	0	108.5	W268 N271 I275 L335 T339	W268-V273 CarbonylContact C-O 3.34Å; W268-V273 HydrophobicContact CB-CB 4.33Å; W268-V273 HydrophobicContact CE3-CB 4.27Å; W268-V273 HydrophobicContact CE3-CG2 3.99Å; W268-V273 WeakPolarHBondContact O-CA 3.43Å; W268-V273 WeakPolarHBondContact O-CB 3.46Å; W268-V273 PolarHBondContact O-N 3.03Å; N271-V273 PolarHBondContact O-N 3.33Å; N271-V273 VanDerWaalsContact O-N 3.11Å; V273-I275 HydrophobicContact CB-CG1 4.38Å; V273-I275 HydrophobicContact CG1-CD1 3.62Å; V273-I275 HydrophobicContact CG1-CG1 3.74Å; V273-I275 PolarHBondContact O-N 3.23Å; V273-L335 HydrophobicContact CG1-CD1 4.45Å; V273-L335 HydrophobicContact CG1-CD2 4.22Å; V273-L335 HydrophobicContact CG1-CG 4.11Å; V273-T339 HydrophobicContact CG1-CG2 4.41Å; V273-T339 WeakPolarHBondContact CG1-OG1 3.26Å; V273-T339 HydrophobicContact CG2-CG2 3.91Å
274	P	91.8	Very high	95.6	Very high	66 Å²	66	41.3 Å²	41.3	43%	0.429	21%	0.209	S	C	.	.			trans	-75.2	70.4	-173.3	31	-37.2	0	0	0	112.6	K272 L335	K272-P274 VanDerWaalsContact O-CD 3.28Å; K272-P274 WeakPolarHBondContact O-CD 3.37Å; P274-L335 HydrophobicContact CG-CD2 3.86Å
275	I	89.2	Confident	95.7	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	21%	0.21	C	C	.	.			trans	-79.9	121.3	177.3	-58.2	-55.3	0	0	0	110	R265 W268 V273 P278 L282 L335 E336	R265-I275 PolarHBondContact NE-O 3.29Å; W268-I275 HydrophobicContact CB-CG1 3.94Å; W268-I275 HydrophobicContact CG-CG1 4.41Å; V273-I275 HydrophobicContact CB-CG1 4.38Å; V273-I275 HydrophobicContact CG1-CD1 3.62Å; V273-I275 HydrophobicContact CG1-CG1 3.74Å; V273-I275 PolarHBondContact O-N 3.23Å; I275-P278 HydrophobicContact CG2-CB 4.37Å; I275-P278 HydrophobicContact CG2-CG 3.95Å; I275-L282 HydrophobicContact CD1-CD2 4.26Å; I275-L282 HydrophobicContact CG1-CD2 4.16Å; I275-L335 HydrophobicContact CD1-CD2 4.09Å; I275-L335 HydrophobicContact CD1-CG 4.36Å; I275-E336 HydrophobicContact CD1-CG 3.72Å
276	K	87.6	Confident	95.8	Very high	125 Å²	125	36.8 Å²	36.8	54%	0.543	19%	0.192	S	C	.	.	S	Bend	trans	-70.6	-58.8	173.1	-176.7	179.6	179	-178.4	0	110.3	R265	R265-K276 WeakPolarHBondContact CD-O 3.5Å; R265-K276 PolarHBondContact NE-O 3.46Å
277	R	92.3	Very high	95.8	Very high	67 Å²	67	36 Å²	36	25%	0.253	18%	0.183	S	C	.	.	S	Bend	trans	-142	123.5	172.3	-174.3	173.8	68.2	88.4	-4.3	108.8	I261 P330 H331	I261-R277 HydrophobicContact CD1-CG 3.93Å; R277-P330 WeakPolarHBondContact CB-O 3.3Å; R277-P330 PolarHBondContact N-O 3.49Å; R277-P330 VanDerWaalsContact NH2-CG 3.33Å; R277-H331 VanDerWaalsContact CZ-NE2 3.34Å; R277-H331 PolarHBondContact NH1-CE1 2.99Å; R277-H331 PolarHBondContact NH2-CE1 2.59Å; R277-H331 PolarHBondContact NH2-NE2 3.35Å; R277-H331 PolarHBondContact O-ND1 2.87Å
278	P	95.7	Very high	95.8	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.026	18%	0.181	C	C	.	.			trans	-56.4	139.1	177.3	-23	32.3	0	0	0	111.4	V264 R265 I275 L282 H331	V264-P278 HydrophobicContact CG1-CB 4.22Å; V264-P278 HydrophobicContact CG1-CG 3.88Å; R265-P278 HydrophobicContact CB-CG 4.28Å; I275-P278 HydrophobicContact CG2-CB 4.37Å; I275-P278 HydrophobicContact CG2-CG 3.95Å; P278-L282 HydrophobicContact CB-CB 4.45Å; P278-L282 HydrophobicContact CB-CD2 4.19Å; P278-H331 PolarHBondContact O-CE1 3.04Å; P278-H331 PolarHBondContact O-ND1 3.01Å
279	S	96.4	Very high	95.9	Very high	14 Å²	14	35.5 Å²	35.5	10%	0.098	18%	0.182	C	C	.	.			trans	-63.1	162.7	162.9	73.4	0	0	0	0	111.3	G281 L282 L283 H331 E336	S279-G281 PolarHBondContact O-N 3.4Å; S279-G281 PolarHBondContact OG-N 3.46Å; S279-L282 PolarHBondContact O-N 2.81Å; S279-L282 PolarHBondContact OG-N 3.48Å; S279-L282 VanDerWaalsContact OG-N 3.12Å; S279-L283 WeakPolarHBondContact O-CB 3.37Å; S279-L283 PolarHBondContact O-N 3.3Å; S279-H331 PolarHBondContact N-ND1 2.83Å; S279-E336 WeakPolarHBondContact CB-OE2 3.4Å; S279-E336 PolarHBondContact N-OE1 3.09Å; S279-E336 VanDerWaalsContact N-OE1 3.08Å; S279-E336 PolarHBondContact N-OE2 3.24Å; S279-E336 PolarHBondContact OG-OE2 2.96Å
280	T	97.1	Very high	95.9	Very high	26 Å²	26	34.9 Å²	34.9	16%	0.16	18%	0.176	C	C	.	.	H	α-helix	trans	-56.8	-39.4	171.6	-55.2	0	0	0	0	110.9	C169 T189 L283 M284	C169-T280 HydrophobicContact CB-CG2 4.29Å; T189-T280 HydrophobicContact CG2-CG2 3.99Å; T189-T280 WeakPolarHBondContact OG1-CG2 3.33Å; T280-L283 WeakPolarHBondContact O-CB 3.45Å; T280-L283 PolarHBondContact O-N 3.13Å; T280-M284 HydrophobicContact CG2-CG 4.22Å; T280-M284 WeakPolarHBondContact O-CB 3.28Å; T280-M284 VanDerWaalsContact O-CG 3.28Å; T280-M284 WeakPolarHBondContact O-CG 3.4Å; T280-M284 PolarHBondContact O-N 3.37Å
281	G	98.1	Very high	95.9	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-48.8	178.5	0	0	0	0	0	112.8	S279 L283 M284 Y285	S279-G281 PolarHBondContact O-N 3.4Å; S279-G281 PolarHBondContact OG-N 3.46Å; G281-L283 VanDerWaalsContact C-N 3.3Å; G281-L283 PolarHBondContact O-N 2.9Å; G281-M284 PolarHBondContact O-N 3.18Å; G281-Y285 PolarHBondContact O-N 3.49Å
282	L	98.2	Very high	96.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-38.5	176.8	-174.3	66.6	0	0	0	111.7	W268 I275 P278 S279 T286 E336 L340	W268-L282 HydrophobicContact CD2-CD1 4.45Å; W268-L282 HydrophobicContact CD2-CD2 4.39Å; W268-L282 HydrophobicContact CG-CD2 4.3Å; W268-L282 HydrophobicContact CH2-CD1 4.11Å; W268-L282 HydrophobicContact CZ2-CD1 3.45Å; W268-L282 VanDerWaalsContact CZ2-CD1 3.45Å; W268-L282 HydrophobicContact CZ2-CG 4.24Å; I275-L282 HydrophobicContact CD1-CD2 4.26Å; I275-L282 HydrophobicContact CG1-CD2 4.16Å; P278-L282 HydrophobicContact CB-CB 4.45Å; P278-L282 HydrophobicContact CB-CD2 4.19Å; S279-L282 PolarHBondContact O-N 2.81Å; S279-L282 PolarHBondContact OG-N 3.48Å; S279-L282 VanDerWaalsContact OG-N 3.12Å; L282-T286 WeakPolarHBondContact O-CB 3.3Å; L282-T286 PolarHBondContact O-N 3.28Å; L282-T286 PolarHBondContact O-OG1 2.83Å; L282-E336 WeakPolarHBondContact CB-OE2 3.47Å; L282-E336 HydrophobicContact CD2-CB 4.39Å; L282-E336 HydrophobicContact CD2-CG 3.83Å; L282-L340 HydrophobicContact CD1-CD2 4.2Å
283	L	98.2	Very high	96.3	Very high	13 Å²	13	21.6 Å²	21.6	7%	0.068	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-47.5	175	178.9	60.4	0	0	0	111.6	W224 L260 V264 S279 T280 G281 T286 L287	W224-L283 HydrophobicContact CH2-CD2 3.61Å; W224-L283 HydrophobicContact CZ2-CD2 4.29Å; W224-L283 HydrophobicContact CZ3-CD2 4.41Å; L260-L283 HydrophobicContact CD1-CD1 4.33Å; L260-L283 HydrophobicContact CD2-CD1 4.27Å; L260-L283 HydrophobicContact CG-CD1 4.08Å; V264-L283 HydrophobicContact CB-CD1 3.99Å; V264-L283 HydrophobicContact CG1-CD1 4Å; V264-L283 HydrophobicContact CG2-CD1 3.47Å; V264-L283 VanDerWaalsContact CG2-CD1 3.47Å; S279-L283 WeakPolarHBondContact O-CB 3.37Å; S279-L283 PolarHBondContact O-N 3.3Å; T280-L283 WeakPolarHBondContact O-CB 3.45Å; T280-L283 PolarHBondContact O-N 3.13Å; G281-L283 VanDerWaalsContact C-N 3.3Å; G281-L283 PolarHBondContact O-N 2.9Å; L283-T286 PolarHBondContact O-N 2.7Å; L283-L287 PolarHBondContact O-N 3.46Å
284	M	98.6	Very high	96.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-41.9	179.7	-70.6	-53.9	99.5	0	0	112.3	V144 I167 F187 T189 W224 T280 G281 T286 L287 A288	V144-M284 HydrophobicContact CG1-CB 3.85Å; I167-M284 HydrophobicContact CG2-CB 4Å; I167-M284 HydrophobicContact CG2-CG 3.88Å; I167-M284 HydrophobicContact CG2-SD 3.87Å; F187-M284 HydrophobicContact CD1-SD 4.23Å; F187-M284 HydrophobicContact CE1-SD 3.69Å; T189-M284 HydrophobicContact CG2-CE 3.77Å; T189-M284 HydrophobicContact CG2-CG 3.99Å; T189-M284 HydrophobicContact CG2-SD 3.38Å; T189-M284 WeakPolarHBondContact CG2-SD 3.42Å; W224-M284 HydrophobicContact CE3-CE 4.43Å; W224-M284 HydrophobicContact CH2-CE 4.14Å; W224-M284 HydrophobicContact CZ2-CE 4.21Å; W224-M284 HydrophobicContact CZ3-CE 4.26Å; T280-M284 HydrophobicContact CG2-CG 4.22Å; T280-M284 WeakPolarHBondContact O-CB 3.28Å; T280-M284 VanDerWaalsContact O-CG 3.28Å; T280-M284 WeakPolarHBondContact O-CG 3.4Å; T280-M284 PolarHBondContact O-N 3.37Å; G281-M284 PolarHBondContact O-N 3.18Å; M284-T286 VanDerWaalsContact C-N 3.35Å; M284-T286 PolarHBondContact O-N 2.96Å; M284-L287 HydrophobicContact CE-CD1 3.67Å; M284-L287 PolarHBondContact O-N 3.25Å; M284-L287 HydrophobicContact SD-CD1 4.47Å; M284-A288 VanDerWaalsContact O-CB 3.27Å; M284-A288 WeakPolarHBondContact O-CB 3.34Å; M284-A288 PolarHBondContact O-N 3.36Å
285	Y	98.6	Very high	96.8	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-56.7	-49.4	171.9	166.4	-101.9	0	0	0	111.2	W268 G281 L287 A288 T289 I295 L297 L340 L343 L349	W268-Y285 HydrophobicContact CH2-CD1 4.4Å; W268-Y285 AromaticContact CH2-CE1 3.97Å; W268-Y285 HydrophobicContact CH2-CE1 3.97Å; W268-Y285 AromaticContact CZ2-CD1 3.97Å; W268-Y285 HydrophobicContact CZ2-CD1 3.97Å; W268-Y285 AromaticContact CZ2-CE1 3.9Å; W268-Y285 HydrophobicContact CZ2-CE1 3.9Å; G281-Y285 PolarHBondContact O-N 3.49Å; Y285-L287 VanDerWaalsContact C-N 3.34Å; Y285-L287 PolarHBondContact O-N 2.99Å; Y285-A288 PolarHBondContact O-N 2.98Å; Y285-T289 HydrophobicContact CE1-CG2 4.29Å; Y285-T289 HydrophobicContact CE2-CG2 4.29Å; Y285-T289 WeakPolarHBondContact O-CG2 3.31Å; Y285-T289 PolarHBondContact O-N 3.39Å; Y285-I295 HydrophobicContact CD2-CD1 4.24Å; Y285-I295 HydrophobicContact CD2-CG2 3.96Å; Y285-I295 HydrophobicContact CE2-CD1 4.06Å; Y285-I295 HydrophobicContact CE2-CG2 4.29Å; Y285-L297 HydrophobicContact CD2-CD1 4.33Å; Y285-L297 HydrophobicContact CD2-CD2 4.07Å; Y285-L340 HydrophobicContact CD1-CD2 3.81Å; Y285-L340 HydrophobicContact CE1-CD2 4.07Å; Y285-L340 HydrophobicContact CG-CD2 4.07Å; Y285-L343 HydrophobicContact CE1-CD1 4.09Å; Y285-L349 HydrophobicContact CD2-CD2 4.02Å; Y285-L349 HydrophobicContact CE1-CD2 4.26Å; Y285-L349 HydrophobicContact CE2-CB 3.95Å; Y285-L349 HydrophobicContact CE2-CD2 3.34Å; Y285-L349 HydrophobicContact CE2-CG 4.29Å; Y285-L349 VanDerWaalsContact CZ-CD2 3.48Å
286	T	98.6	Very high	97.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-43.2	-177.5	-48	0	0	0	0	111.1	I85 L89 V264 Y267 W268 L282 L283 M284 T289	I85-T286 HydrophobicContact CD1-CG2 3.94Å; I85-T286 HydrophobicContact CG1-CG2 4.35Å; I85-T286 HydrophobicContact CG2-CG2 4.09Å; L89-T286 HydrophobicContact CD2-CG2 3.98Å; V264-T286 HydrophobicContact CG1-CG2 4.14Å; V264-T286 HydrophobicContact CG2-CG2 4.16Å; Y267-T286 HydrophobicContact CD1-CG2 4.37Å; W268-T286 PolarHBondContact NE1-OG1 2.84Å; L282-T286 WeakPolarHBondContact O-CB 3.3Å; L282-T286 PolarHBondContact O-N 3.28Å; L282-T286 PolarHBondContact O-OG1 2.83Å; L283-T286 PolarHBondContact O-N 2.7Å; M284-T286 VanDerWaalsContact C-N 3.35Å; M284-T286 PolarHBondContact O-N 2.96Å; T286-T289 PolarHBondContact O-OG1 2.75Å
287	L	98.1	Very high	97.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-61.8	-47.2	173.7	-82.3	179	0	0	0	112.2	L89 V95 L260 L283 M284 Y285 T289 R290 F291	L89-L287 HydrophobicContact CD1-CD2 3.94Å; V95-L287 HydrophobicContact CG2-CD2 4.13Å; L260-L287 HydrophobicContact CD1-CD2 3.58Å; L260-L287 HydrophobicContact CD1-CG 4.18Å; L260-L287 HydrophobicContact CD2-CD1 4Å; L260-L287 HydrophobicContact CD2-CD2 4.29Å; L260-L287 HydrophobicContact CD2-CG 4.47Å; L283-L287 PolarHBondContact O-N 3.46Å; M284-L287 HydrophobicContact CE-CD1 3.67Å; M284-L287 PolarHBondContact O-N 3.25Å; M284-L287 HydrophobicContact SD-CD1 4.47Å; Y285-L287 VanDerWaalsContact C-N 3.34Å; Y285-L287 PolarHBondContact O-N 2.99Å; L287-T289 PolarHBondContact O-N 2.89Å; L287-R290 WeakPolarHBondContact O-CB 3.24Å; L287-R290 PolarHBondContact O-N 3.32Å; L287-F291 HydrophobicContact CB-CE1 4.21Å; L287-F291 WeakPolarHBondContact O-CD1 3.49Å; L287-F291 VanDerWaalsContact O-CE1 3.24Å; L287-F291 WeakPolarHBondContact O-CE1 3.37Å
288	A	98.5	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-56.7	-33.5	-177.7	0	0	0	0	0	112.5	V144 I167 M284 Y285 R290 F291 C292 I295	V144-A288 HydrophobicContact CG2-CB 4.24Å; I167-A288 HydrophobicContact CD1-CB 3.83Å; M284-A288 VanDerWaalsContact O-CB 3.27Å; M284-A288 WeakPolarHBondContact O-CB 3.34Å; M284-A288 PolarHBondContact O-N 3.36Å; Y285-A288 PolarHBondContact O-N 2.98Å; A288-R290 PolarHBondContact O-N 3.06Å; A288-F291 HydrophobicContact CB-CE2 4.31Å; A288-F291 HydrophobicContact CB-CZ 4.25Å; A288-F291 PolarHBondContact O-N 2.89Å; A288-C292 WeakPolarHBondContact O-CB 3.46Å; A288-C292 PolarHBondContact O-N 2.88Å; A288-C292 PolarHBondContact O-SG 2.85Å; A288-I295 HydrophobicContact CB-CD1 3.84Å; A288-I295 HydrophobicContact CB-CG1 4.34Å
289	T	98.3	Very high	98.2	Very high	8 Å²	8	11.6 Å²	11.6	5%	0.049	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.8	176.4	70.5	0	0	0	0	114.1	I81 R82 I85 Y285 T286 L287 I295	I81-T289 HydrophobicContact CG2-CG2 4.38Å; R82-T289 WeakPolarHBondContact CG-O 3.39Å; R82-T289 PolarHBondContact NE-O 3.27Å; I85-T289 HydrophobicContact CD1-CG2 3.66Å; I85-T289 WeakPolarHBondContact CD1-OG1 3.3Å; Y285-T289 HydrophobicContact CE1-CG2 4.29Å; Y285-T289 HydrophobicContact CE2-CG2 4.29Å; Y285-T289 WeakPolarHBondContact O-CG2 3.31Å; Y285-T289 PolarHBondContact O-N 3.39Å; T286-T289 PolarHBondContact O-OG1 2.75Å; L287-T289 PolarHBondContact O-N 2.89Å; T289-I295 HydrophobicContact CG2-CD1 3.97Å
290	R	97.3	Very high	98.3	Very high	50 Å²	50	11.9 Å²	11.9	19%	0.189	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.5	-178.5	-64.2	-54.3	-50	137.5	17.3	114.1	R82 I85 L89 A91 L287 A288	R82-R290 PolarHBondContact O-NH1 3.05Å; I85-R290 HydrophobicContact CG2-CG 4.17Å; L89-R290 HydrophobicContact CD1-CG 3.57Å; A91-R290 HydrophobicContact CB-CB 3.68Å; A91-R290 HydrophobicContact CB-CG 4.41Å; L287-R290 WeakPolarHBondContact O-CB 3.24Å; L287-R290 PolarHBondContact O-N 3.32Å; A288-R290 PolarHBondContact O-N 3.06Å
291	F	97.6	Very high	98.3	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.022	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	3.5	-176.2	56.2	-101.3	0	0	0	114.2	A91 M134 R137 R138 F139 F165 I167 L287 A288	A91-F291 HydrophobicContact CB-CD1 3.79Å; A91-F291 HydrophobicContact CB-CE1 4.37Å; M134-F291 HydrophobicContact CG-CD1 4.32Å; M134-F291 HydrophobicContact CG-CE1 4.36Å; M134-F291 HydrophobicContact SD-CD1 4.21Å; M134-F291 HydrophobicContact SD-CD2 4.18Å; M134-F291 HydrophobicContact SD-CE1 4.31Å; M134-F291 HydrophobicContact SD-CE2 4.28Å; M134-F291 HydrophobicContact SD-CG 4.13Å; M134-F291 HydrophobicContact SD-CZ 4.34Å; R137-F291 WeakPolarHBondContact O-CB 3.24Å; R138-F291 CarbonylContact C-O 3.49Å; R138-F291 VanDerWaalsContact CA-O 3.27Å; R138-F291 WeakPolarHBondContact CA-O 3.5Å; F139-F291 AromaticContact CD2-CD2 3.96Å; F139-F291 HydrophobicContact CD2-CD2 3.96Å; F139-F291 HydrophobicContact CE2-CD2 4.17Å; F139-F291 PolarHBondContact N-O 2.98Å; F165-F291 HydrophobicContact CD1-CE2 4.13Å; F165-F291 AromaticContact CE1-CE2 3.91Å; F165-F291 HydrophobicContact CE1-CE2 3.91Å; I167-F291 HydrophobicContact CD1-CE2 3.84Å; I167-F291 HydrophobicContact CD1-CZ 3.87Å; L287-F291 HydrophobicContact CB-CE1 4.21Å; L287-F291 WeakPolarHBondContact O-CD1 3.49Å; L287-F291 VanDerWaalsContact O-CE1 3.24Å; L287-F291 WeakPolarHBondContact O-CE1 3.37Å; A288-F291 HydrophobicContact CB-CE2 4.31Å; A288-F291 HydrophobicContact CB-CZ 4.25Å; A288-F291 PolarHBondContact O-N 2.89Å
292	C	98.5	Very high	98.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.7	177.9	-60.6	0	0	0	0	110.6	R82 F139 C142 A288 I295	R82-C292 PolarHBondContact NH2-O 3.36Å; F139-C292 CarbonylContact O-C 3.57Å; F139-C292 WeakPolarHBondContact O-CA 3.13Å; C142-C292 HydrophobicContact CB-CB 3.59Å; C142-C292 WeakPolarHBondContact CB-SG 3.32Å; C142-C292 WeakPolarHBondContact SG-CB 2.88Å; C142-C292 CovalentContact SG-SG 2.01Å; C142-C292 PolarHBondContact SG-SG 2.98Å; A288-C292 WeakPolarHBondContact O-CB 3.46Å; A288-C292 PolarHBondContact O-N 2.88Å; A288-C292 PolarHBondContact O-SG 2.85Å; C292-I295 HydrophobicContact CB-CD1 4.22Å; C292-I295 HydrophobicContact CB-CG1 3.71Å
293	D	98.2	Very high	98.1	Very high	37 Å²	37	13.1 Å²	13.1	20%	0.198	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-38.1	178	-69.2	-29.1	0	0	0	113.6	R82 R138 F139 K140	R82-D293 IonicContact CZ-OD1 3.55Å; R82-D293 IonicContact NH1-OD1 3.8Å; R82-D293 PolarHBondContact NH1-OD1 3.32Å; R82-D293 IonicContact NH2-OD1 3.74Å; R82-D293 PolarHBondContact NH2-OD1 3.25Å; R138-D293 IonicContact CZ-OD1 2.71Å; R138-D293 IonicContact CZ-OD2 3.43Å; R138-D293 IonicContact NE-OD1 3.61Å; R138-D293 PolarHBondContact NE-OD1 2.7Å; R138-D293 IonicContact NE-OD2 3.72Å; R138-D293 PolarHBondContact NE-OD2 3.03Å; R138-D293 VanDerWaalsContact NH2-CG 3.26Å; R138-D293 IonicContact NH2-OD1 2.91Å; R138-D293 PolarHBondContact NH2-OD1 2.88Å; R138-D293 IonicContact NH2-OD2 3.24Å; R138-D293 PolarHBondContact NH2-OD2 2.94Å; F139-D293 PolarHBondContact O-N 3.23Å; K140-D293 WeakPolarHBondContact O-CB 3.27Å
294	E	98.5	Very high	98	Very high	42 Å²	42	16 Å²	16	20%	0.196	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.1	177.2	176.1	168.4	161.6	0	0	109.3	I73 K140 T141 C142 H296	I73-E294 HydrophobicContact CD1-CB 3.81Å; I73-E294 HydrophobicContact CD1-CG 3.73Å; K140-E294 PolarHBondContact O-N 3.07Å; T141-E294 HydrophobicContact CG2-CB 4.47Å; C142-E294 PolarHBondContact N-O 3.48Å; E294-H296 IonicContact OE1-CD2 3.25Å; E294-H296 IonicContact OE1-CE1 3.35Å; E294-H296 IonicContact OE1-NE2 3.37Å; E294-H296 PolarHBondContact OE1-NE2 2.91Å
295	I	98.8	Very high	97.8	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.051	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.8	-173.7	-59.5	166.6	0	0	0	110.1	C142 V144 Y285 A288 T289 C292 L297 L349 K350	C142-I295 WeakPolarHBondContact O-CA 3.47Å; V144-I295 HydrophobicContact CG2-CG2 3.94Å; Y285-I295 HydrophobicContact CD2-CD1 4.24Å; Y285-I295 HydrophobicContact CD2-CG2 3.96Å; Y285-I295 HydrophobicContact CE2-CD1 4.06Å; Y285-I295 HydrophobicContact CE2-CG2 4.29Å; A288-I295 HydrophobicContact CB-CD1 3.84Å; A288-I295 HydrophobicContact CB-CG1 4.34Å; T289-I295 HydrophobicContact CG2-CD1 3.97Å; C292-I295 HydrophobicContact CB-CD1 4.22Å; C292-I295 HydrophobicContact CB-CG1 3.71Å; I295-L297 HydrophobicContact CG2-CD2 3.8Å; I295-L349 WeakPolarHBondContact O-CA 3.27Å; I295-K350 PolarHBondContact O-N 3.25Å
296	H	98.8	Very high	97.6	Very high	16 Å²	16	23.2 Å²	23.2	7%	0.074	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.1	175.7	-67.8	-139.8	0	0	0	108.7	C142 A143 V144 H163 E294 Y298 K350	C142-H296 PolarHBondContact O-N 3.01Å; A143-H296 CarbonylContact C-O 3.52Å; A143-H296 WeakPolarHBondContact CA-O 3.47Å; V144-H296 PolarHBondContact N-O 3.43Å; H163-H296 AromaticContact CE1-CG 3.99Å; H163-H296 AromaticContact CE1-ND1 3.86Å; H163-H296 WeakPolarHBondContact NE2-CB 3.34Å; H163-H296 AromaticContact NE2-CD2 3.62Å; H163-H296 AromaticContact NE2-CE1 3.87Å; H163-H296 AromaticContact NE2-CG 3.17Å; H163-H296 AromaticContact NE2-ND1 3.38Å; H163-H296 PolarHBondContact NE2-ND1 2.7Å; E294-H296 IonicContact OE1-CD2 3.25Å; E294-H296 IonicContact OE1-CE1 3.35Å; E294-H296 IonicContact OE1-NE2 3.37Å; E294-H296 PolarHBondContact OE1-NE2 2.91Å; H296-Y298 HydrophobicContact CB-CD2 4.45Å; H296-Y298 HydrophobicContact CB-CE2 3.54Å; H296-K350 CarbonylContact C-O 3.58Å; H296-K350 WeakPolarHBondContact CA-O 3.24Å; H296-K350 HydrophobicContact CB-CB 4.37Å; H296-K350 WeakPolarHBondContact CE1-CD 3.31Å; H296-K350 WeakPolarHBondContact ND1-CD 3.45Å
297	L	98.9	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.6	-178	-58.5	-170.6	0	0	0	109.8	V144 Y285 I295 F300 L340 L349 K350 L351 T352	V144-L297 HydrophobicContact CB-CD2 3.61Å; V144-L297 HydrophobicContact CG1-CD2 4.37Å; V144-L297 HydrophobicContact CG2-CD2 4.03Å; V144-L297 WeakPolarHBondContact O-CA 3.36Å; Y285-L297 HydrophobicContact CD2-CD1 4.33Å; Y285-L297 HydrophobicContact CD2-CD2 4.07Å; I295-L297 HydrophobicContact CG2-CD2 3.8Å; L297-F300 HydrophobicContact CB-CD2 3.84Å; L297-F300 HydrophobicContact CB-CE2 4.09Å; L297-F300 HydrophobicContact CB-CG 4.38Å; L297-F300 HydrophobicContact CD1-CD1 4.47Å; L297-F300 HydrophobicContact CD1-CE1 4.46Å; L297-F300 HydrophobicContact CD1-CG 4.5Å; L297-F300 HydrophobicContact CD2-CE2 4.03Å; L297-F300 HydrophobicContact CD2-CZ 4.15Å; L297-F300 HydrophobicContact CG-CE2 4.47Å; L297-L340 HydrophobicContact CD1-CB 4.35Å; L297-L340 HydrophobicContact CD1-CD1 3.97Å; L297-L340 HydrophobicContact CD1-CD2 3.9Å; L297-L340 HydrophobicContact CD1-CG 4.29Å; L297-L349 HydrophobicContact CD1-CD1 3.74Å; L297-L349 HydrophobicContact CD1-CD2 3.92Å; L297-L349 HydrophobicContact CD1-CG 4.41Å; L297-L349 HydrophobicContact CG-CD1 4.05Å; L297-K350 PolarHBondContact N-O 3.27Å; L297-L351 HydrophobicContact CB-CD1 3.79Å; L297-L351 HydrophobicContact CD1-CD1 4.31Å; L297-T352 PolarHBondContact O-N 3.31Å
298	Y	98.8	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.1	178.2	-59.1	-90.9	0	0	0	109.2	A143 V144 G146 C156 E159 I160 H163 H296 F300 T352	A143-Y298 HydrophobicContact CB-CD2 4.12Å; A143-Y298 HydrophobicContact CB-CE2 3.9Å; V144-Y298 PolarHBondContact O-N 2.77Å; G146-Y298 PolarHBondContact N-O 3.48Å; C156-Y298 HydrophobicContact CB-CD1 4.25Å; C156-Y298 HydrophobicContact CB-CE1 4.47Å; E159-Y298 WeakPolarHBondContact CG-OH 3.08Å; E159-Y298 PolarHBondContact OE1-OH 3.13Å; I160-Y298 HydrophobicContact CD1-CD1 4.15Å; I160-Y298 HydrophobicContact CD1-CD2 4.4Å; I160-Y298 HydrophobicContact CD1-CG 3.98Å; I160-Y298 HydrophobicContact CG1-CD1 3.94Å; I160-Y298 HydrophobicContact CG1-CD2 3.82Å; I160-Y298 HydrophobicContact CG1-CE1 4.1Å; I160-Y298 HydrophobicContact CG1-CE2 3.96Å; I160-Y298 HydrophobicContact CG1-CG 3.81Å; H163-Y298 PolarHBondContact CE1-OH 2.77Å; H163-Y298 VanDerWaalsContact CE1-OH 3.24Å; H296-Y298 HydrophobicContact CB-CD2 4.45Å; H296-Y298 HydrophobicContact CB-CE2 3.54Å; Y298-F300 VanDerWaalsContact C-N 3.3Å; Y298-F300 VanDerWaalsContact O-CD2 3.25Å; Y298-F300 WeakPolarHBondContact O-CD2 3.3Å; Y298-F300 PolarHBondContact O-N 3.38Å; Y298-T352 HydrophobicContact CD1-CG2 3.99Å; Y298-T352 HydrophobicContact CE1-CG2 4.02Å
299	G	98.3	Very high	96.5	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	19%	0.193	C	C	.	.	S	Bend	trans	71.3	23.1	176.6	0	0	0	0	0	114.7	G146 S148	G146-G299 CarbonylContact C-O 3.49Å; S148-G299 WeakPolarHBondContact CB-O 3.27Å; S148-G299 PolarHBondContact N-O 2.84Å; S148-G299 VanDerWaalsContact N-O 3.1Å
300	F	98.3	Very high	96.2	Very high	21 Å²	21	42 Å²	42	9%	0.092	22%	0.217	C	C	.	.			trans	-96.7	83.1	172.2	-77.3	-108.7	0	0	0	109.2	V144 L297 Y298 F337 L340 L351	V144-F300 HydrophobicContact CB-CE2 4.46Å; V144-F300 HydrophobicContact CG1-CE2 4.13Å; V144-F300 HydrophobicContact CG1-CZ 3.96Å; V144-F300 WeakPolarHBondContact O-CE2 3.45Å; L297-F300 HydrophobicContact CB-CD2 3.84Å; L297-F300 HydrophobicContact CB-CE2 4.09Å; L297-F300 HydrophobicContact CB-CG 4.38Å; L297-F300 HydrophobicContact CD1-CD1 4.47Å; L297-F300 HydrophobicContact CD1-CE1 4.46Å; L297-F300 HydrophobicContact CD1-CG 4.5Å; L297-F300 HydrophobicContact CD2-CE2 4.03Å; L297-F300 HydrophobicContact CD2-CZ 4.15Å; L297-F300 HydrophobicContact CG-CE2 4.47Å; Y298-F300 VanDerWaalsContact C-N 3.3Å; Y298-F300 VanDerWaalsContact O-CD2 3.25Å; Y298-F300 WeakPolarHBondContact O-CD2 3.3Å; Y298-F300 PolarHBondContact O-N 3.38Å; F300-F337 WeakPolarHBondContact O-CD2 3.1Å; F300-F337 WeakPolarHBondContact O-CE2 3.46Å; F300-L340 HydrophobicContact CD1-CD1 3.5Å; F300-L340 HydrophobicContact CE1-CD1 3.84Å; F300-L340 HydrophobicContact CG-CD1 4.45Å; F300-L351 HydrophobicContact CB-CD1 3.78Å
301	W	97.7	Very high	96.2	Very high	16 Å²	16	43.5 Å²	43.5	6%	0.061	24%	0.24	C	C	.	.			trans	-145.1	99.5	177.2	-177.4	-95.1	0	0	0	110.4	S148 I150 F303 K305 L307 F337 T353	S148-W301 WeakPolarHBondContact CB-O 3.25Å; S148-W301 WeakPolarHBondContact OG-CB 3.13Å; S148-W301 PolarHBondContact OG-O 3.11Å; I150-W301 HydrophobicContact CB-CB 3.67Å; I150-W301 HydrophobicContact CB-CG 4Å; I150-W301 HydrophobicContact CD1-CD2 4.31Å; I150-W301 HydrophobicContact CD1-CG 4.18Å; I150-W301 HydrophobicContact CG1-CB 4.03Å; I150-W301 HydrophobicContact CG1-CD2 4.41Å; I150-W301 HydrophobicContact CG1-CG 4.04Å; I150-W301 HydrophobicContact CG2-CB 3.61Å; I150-W301 HydrophobicContact CG2-CG 4.46Å; W301-F303 VanDerWaalsContact C-N 3.3Å; W301-F303 AromaticContact CD2-CD2 3.83Å; W301-F303 HydrophobicContact CD2-CD2 3.83Å; W301-F303 AromaticContact CE2-CD2 3.68Å; W301-F303 HydrophobicContact CE3-CD2 4.12Å; W301-F303 HydrophobicContact CG-CD2 4.35Å; W301-F303 HydrophobicContact CH2-CD2 4.13Å; W301-F303 HydrophobicContact CZ2-CB 4.21Å; W301-F303 AromaticContact CZ2-CD2 3.84Å; W301-F303 HydrophobicContact CZ2-CD2 3.84Å; W301-F303 HydrophobicContact CZ2-CG 4.43Å; W301-F303 HydrophobicContact CZ3-CD2 4.27Å; W301-F303 PolarHBondContact NE1-O 3.34Å; W301-F303 PolarHBondContact O-N 3.38Å; W301-K305 VanDerWaalsContact CE2-O 3.25Å; W301-K305 WeakPolarHBondContact CZ2-O 3.45Å; W301-K305 PolarHBondContact NE1-O 3.07Å; W301-L307 HydrophobicContact CH2-CD2 3.85Å; W301-L307 HydrophobicContact CH2-CG 4.18Å; W301-F337 AromaticContact CE3-CE2 3.87Å; W301-F337 HydrophobicContact CE3-CE2 3.87Å; W301-F337 AromaticContact CE3-CZ 3.73Å; W301-F337 HydrophobicContact CE3-CZ 3.73Å; W301-F337 HydrophobicContact CZ3-CE1 4.31Å; W301-F337 HydrophobicContact CZ3-CE2 4.32Å; W301-F337 AromaticContact CZ3-CZ 3.7Å; W301-F337 HydrophobicContact CZ3-CZ 3.7Å; W301-T353 HydrophobicContact CE3-CG2 3.98Å; W301-T353 HydrophobicContact CZ3-CG2 4.45Å
302	P	96.4	Very high	96.2	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.058	24%	0.244	C	C	.	.			trans	-95.5	44.3	-174.6	39.3	-37.6	0	0	0	112.3	Y324 M333 F337	P302-Y324 VanDerWaalsContact C-CE1 3.47Å; P302-Y324 VanDerWaalsContact CA-CE1 3.45Å; P302-Y324 HydrophobicContact CB-CD1 3.8Å; P302-Y324 HydrophobicContact CB-CE1 3.89Å; P302-Y324 WeakPolarHBondContact O-CD1 3.22Å; P302-M333 HydrophobicContact CB-CB 3.54Å; P302-M333 HydrophobicContact CG-CB 4.19Å; P302-F337 HydrophobicContact CG-CB 3.6Å; P302-F337 HydrophobicContact CG-CG 4.18Å
303	F	95.9	Very high	96.1	Very high	37 Å²	37	48.8 Å²	48.8	16%	0.162	27%	0.265	C	S	.	.	S	Bend	trans	-132.9	149.6	-179	-50.5	-72.1	0	0	0	110.9	W301 K305 F325 P334 F337	W301-F303 VanDerWaalsContact C-N 3.3Å; W301-F303 AromaticContact CD2-CD2 3.83Å; W301-F303 HydrophobicContact CD2-CD2 3.83Å; W301-F303 AromaticContact CE2-CD2 3.68Å; W301-F303 HydrophobicContact CE3-CD2 4.12Å; W301-F303 HydrophobicContact CG-CD2 4.35Å; W301-F303 HydrophobicContact CH2-CD2 4.13Å; W301-F303 HydrophobicContact CZ2-CB 4.21Å; W301-F303 AromaticContact CZ2-CD2 3.84Å; W301-F303 HydrophobicContact CZ2-CD2 3.84Å; W301-F303 HydrophobicContact CZ2-CG 4.43Å; W301-F303 HydrophobicContact CZ3-CD2 4.27Å; W301-F303 PolarHBondContact NE1-O 3.34Å; W301-F303 PolarHBondContact O-N 3.38Å; F303-K305 PolarHBondContact O-N 3.06Å; F303-F325 HydrophobicContact CD1-CZ 4.02Å; F303-F325 HydrophobicContact CE1-CZ 4.29Å; F303-P334 HydrophobicContact CE1-CB 3.93Å; F303-P334 HydrophobicContact CE1-CG 4.26Å; F303-P334 HydrophobicContact CZ-CB 4.32Å; F303-F337 AromaticContact CE2-CD1 3.51Å; F303-F337 HydrophobicContact CE2-CD1 3.51Å; F303-F337 AromaticContact CE2-CE1 3.77Å; F303-F337 HydrophobicContact CE2-CE1 3.77Å; F303-F337 AromaticContact CE2-CG 3.97Å; F303-F337 HydrophobicContact CE2-CG 3.97Å; F303-F337 HydrophobicContact CE2-CZ 4.42Å; F303-F337 AromaticContact CZ-CD1 3.88Å; F303-F337 HydrophobicContact CZ-CD1 3.88Å; F303-F337 HydrophobicContact CZ-CE1 4.44Å; F303-F337 HydrophobicContact CZ-CG 4.43Å
304	P	94.9	Very high	96	Very high	72 Å²	72	49.4 Å²	49.4	47%	0.468	26%	0.264	S	S	.	.	S	Bend	trans	-78.7	-6.2	-177.1	33	-37.2	0	0	0	113.8	A311 V312	P304-A311 WeakPolarHBondContact O-CA 3.38Å; P304-V312 PolarHBondContact O-N 3.27Å
305	K	95.2	Very high	96	Very high	124 Å²	124	47.9 Å²	47.9	54%	0.539	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-137.2	150.6	178.8	-65	-175.2	175.1	-166.6	0	110	W301 F303 G309 K310	W301-K305 VanDerWaalsContact CE2-O 3.25Å; W301-K305 WeakPolarHBondContact CZ2-O 3.45Å; W301-K305 PolarHBondContact NE1-O 3.07Å; F303-K305 PolarHBondContact O-N 3.06Å; K305-G309 WeakPolarHBondContact CD-O 3.32Å; K305-K310 CarbonylContact C-O 3.46Å; K305-K310 WeakPolarHBondContact CA-O 3.44Å
306	D	93.8	Very high	95.9	Very high	35 Å²	35	47.6 Å²	47.6	19%	0.187	26%	0.256	C	S	.	.			trans	-80.8	-175.9	170.5	72.6	4.7	0	0	0	111.2	I150 N308 G309 K310 V312	I150-D306 HydrophobicContact CD1-CB 3.92Å; D306-N308 PolarHBondContact O-N 3.24Å; D306-N308 VanDerWaalsContact OD1-C 3.31Å; D306-N308 WeakPolarHBondContact OD1-CA 3.14Å; D306-N308 WeakPolarHBondContact OD1-CB 3.37Å; D306-N308 PolarHBondContact OD1-N 2.8Å; D306-G309 PolarHBondContact O-N 2.82Å; D306-G309 VanDerWaalsContact O-N 3.12Å; D306-G309 PolarHBondContact OD1-N 3.01Å; D306-K310 PolarHBondContact N-O 2.96Å; D306-K310 WeakPolarHBondContact OD1-CB 3.1Å; D306-K310 PolarHBondContact OD1-N 3.02Å; D306-K310 WeakPolarHBondContact OD2-CB 3.43Å; D306-V312 HydrophobicContact CB-CG2 3.81Å
307	L	88.6	Confident	95.8	Very high	89 Å²	89	49.3 Å²	49.3	47%	0.466	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.9	177.7	-65.5	179.6	0	0	0	113.9	F64 H66 W301 G309	F64-L307 HydrophobicContact CB-CD2 3.53Å; F64-L307 HydrophobicContact CG-CD2 4.43Å; F64-L307 WeakPolarHBondContact O-CD1 3.43Å; H66-L307 HydrophobicContact CB-CD1 4.11Å; W301-L307 HydrophobicContact CH2-CD2 3.85Å; W301-L307 HydrophobicContact CH2-CG 4.18Å; L307-G309 VanDerWaalsContact C-N 3.31Å
308	N	90.3	Very high	95.6	Very high	150 Å²	150	51.4 Å²	51.4	80%	0.802	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.5	179.1	-58.6	-45.2	0	0	0	112	D306 K310	D306-N308 PolarHBondContact O-N 3.24Å; D306-N308 VanDerWaalsContact OD1-C 3.31Å; D306-N308 WeakPolarHBondContact OD1-CA 3.14Å; D306-N308 WeakPolarHBondContact OD1-CB 3.37Å; D306-N308 PolarHBondContact OD1-N 2.8Å; N308-K310 VanDerWaalsContact C-N 3.33Å
309	G	92.6	Very high	95.4	Very high	39 Å²	39	57.4 Å²	57.4	40%	0.402	31%	0.305	S	S	.	.	S	Bend	trans	81.2	4.2	-177.7	0	0	0	0	0	115.1	K305 D306 L307	K305-G309 WeakPolarHBondContact CD-O 3.32Å; D306-G309 PolarHBondContact O-N 2.82Å; D306-G309 VanDerWaalsContact O-N 3.12Å; D306-G309 PolarHBondContact OD1-N 3.01Å; L307-G309 VanDerWaalsContact C-N 3.31Å
310	K	93.9	Very high	95	Very high	126 Å²	126	61 Å²	61	55%	0.548	32%	0.323	S	S	.	.			trans	-66.8	140.6	173.7	-173.4	-174.2	173.9	-174	0	109.1	D153 K305 D306 N308	D153-K310 IonicContact OD2-NZ 2.75Å; K305-K310 CarbonylContact C-O 3.46Å; K305-K310 WeakPolarHBondContact CA-O 3.44Å; D306-K310 PolarHBondContact N-O 2.96Å; D306-K310 WeakPolarHBondContact OD1-CB 3.1Å; D306-K310 PolarHBondContact OD1-N 3.02Å; D306-K310 WeakPolarHBondContact OD2-CB 3.43Å; N308-K310 VanDerWaalsContact C-N 3.33Å
311	A	96	Very high	94.6	Very high	82 Å²	82	69.2 Å²	69.2	68%	0.678	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-63	136.8	177.8	0	0	0	0	0	111.4	P304	P304-A311 WeakPolarHBondContact O-CA 3.38Å
312	V	97.1	Very high	94.2	Very high	18 Å²	18	71.1 Å²	71.1	11%	0.109	37%	0.366	C	S	.	.			trans	-119.3	125	178	177.4	0	0	0	0	109.1	I150 P304 D306	I150-V312 HydrophobicContact CB-CG1 4.27Å; I150-V312 HydrophobicContact CD1-CG2 4.07Å; P304-V312 PolarHBondContact O-N 3.27Å; D306-V312 HydrophobicContact CB-CG2 3.81Å
313	K	97.2	Very high	93.9	Very high	97 Å²	97	80.6 Å²	80.6	42%	0.422	40%	0.401	S	S	.	.			trans	-66.2	151	174.3	-64.4	-166.5	-179.9	-163.3	0	110.5	G149 L152 H315 D319	G149-K313 WeakPolarHBondContact CA-O 3.46Å; G149-K313 PolarHBondContact N-O 3.19Å; L152-K313 HydrophobicContact CD1-CD 4.4Å; K313-H315 WeakPolarHBondContact CB-O 3.48Å; K313-D319 IonicContact NZ-OD1 3.77Å; K313-D319 PolarHBondContact NZ-OD1 3.14Å
314	Y	96.5	Very high	93.4	Very high	50 Å²	50	79.7 Å²	79.7	20%	0.196	40%	0.396	C	S	.	.	S	Bend	trans	-64.7	-43.5	175	174.9	-133.3	0	0	0	111.6	S148 L320 Y322 Y324 M333	S148-Y314 WeakPolarHBondContact CA-O 3.46Å; Y314-L320 VanDerWaalsContact CB-O 3.22Å; Y314-L320 WeakPolarHBondContact CB-O 3.4Å; Y314-L320 HydrophobicContact CD1-CB 4.32Å; Y314-L320 HydrophobicContact CD1-CD2 3.96Å; Y314-L320 HydrophobicContact CD1-CG 4.13Å; Y314-L320 HydrophobicContact CE1-CD2 3.9Å; Y314-Y322 HydrophobicContact CD1-CG 4.43Å; Y314-Y322 HydrophobicContact CD2-CG 4.28Å; Y314-Y322 AromaticContact CE1-CD2 3.83Å; Y314-Y322 HydrophobicContact CE1-CD2 3.83Å; Y314-Y322 HydrophobicContact CE1-CG 4.07Å; Y314-Y322 HydrophobicContact CE2-CD1 4.41Å; Y314-Y322 HydrophobicContact CE2-CD2 4.3Å; Y314-Y322 AromaticContact CE2-CG 3.91Å; Y314-Y322 HydrophobicContact CE2-CG 3.91Å; Y314-Y322 AromaticContact CZ-CD2 3.71Å; Y314-Y322 AromaticContact CZ-CG 3.8Å; Y314-Y324 WeakPolarHBondContact CA-OH 3.48Å; Y314-Y324 AromaticContact CD2-CE1 3.68Å; Y314-Y324 HydrophobicContact CD2-CE1 3.68Å; Y314-Y324 AromaticContact CD2-CZ 3.72Å; Y314-Y324 VanDerWaalsContact CD2-OH 3.25Å; Y314-Y324 WeakPolarHBondContact CD2-OH 3.49Å; Y314-Y324 AromaticContact CE2-CE1 3.89Å; Y314-Y324 HydrophobicContact CE2-CE1 3.89Å; Y314-M333 HydrophobicContact CE2-CE 3.91Å
315	H	97.6	Very high	92.8	Very high	10 Å²	10	82 Å²	82	5%	0.046	40%	0.399	C	S	.	.	S	Bend	trans	-115.1	150.2	168.4	-57.4	138.3	0	0	0	111.4	N147 K313 Y317 D318	N147-H315 CarbonylContact O-C 3.59Å; N147-H315 WeakPolarHBondContact O-CA 3.13Å; K313-H315 WeakPolarHBondContact CB-O 3.48Å; H315-Y317 HydrophobicContact CB-CD1 4.05Å; H315-Y317 HydrophobicContact CB-CD2 4.28Å; H315-Y317 HydrophobicContact CB-CE1 3.83Å; H315-Y317 HydrophobicContact CB-CE2 4Å; H315-Y317 HydrophobicContact CB-CG 4.29Å; H315-Y317 AromaticContact CG-CZ 3.69Å; H315-Y317 AromaticContact ND1-CE2 3.94Å; H315-Y317 AromaticContact ND1-CZ 3.84Å; H315-Y317 PolarHBondContact O-N 3.45Å; H315-D318 WeakPolarHBondContact CB-OD1 3.31Å; H315-D318 IonicContact CE1-OD2 3.63Å; H315-D318 IonicContact CG-OD1 3.58Å; H315-D318 IonicContact CG-OD2 3.82Å; H315-D318 VanDerWaalsContact ND1-CG 3.3Å; H315-D318 IonicContact ND1-OD1 3.03Å; H315-D318 PolarHBondContact ND1-OD1 3.36Å; H315-D318 IonicContact ND1-OD2 2.88Å; H315-D318 PolarHBondContact ND1-OD2 3.01Å
316	Y	98	Very high	92.4	Very high	5 Å²	5	78.2 Å²	78.2	2%	0.02	39%	0.388	C	S	.	.	S	Bend	trans	-68	-16.8	173.4	63.9	-102.4	0	0	0	113.1	N147 L151 A172 P173 F177 V181	N147-Y316 HydrophobicContact CB-CE1 4.44Å; N147-Y316 VanDerWaalsContact O-CD1 3.23Å; N147-Y316 WeakPolarHBondContact O-CD1 3.46Å; N147-Y316 PolarHBondContact O-N 3.08Å; L151-Y316 HydrophobicContact CD1-CD1 3.95Å; L151-Y316 HydrophobicContact CD1-CE1 4.19Å; A172-Y316 HydrophobicContact CB-CE1 4.47Å; A172-Y316 WeakPolarHBondContact CB-OH 3.45Å; P173-Y316 WeakPolarHBondContact O-CE2 3.47Å; P173-Y316 PolarHBondContact O-OH 2.94Å; F177-Y316 HydrophobicContact CB-CD2 4.12Å; F177-Y316 HydrophobicContact CB-CE2 4.03Å; F177-Y316 AromaticContact CD1-CD2 3.91Å; F177-Y316 HydrophobicContact CD1-CD2 3.91Å; F177-Y316 AromaticContact CD2-CD2 3.89Å; F177-Y316 HydrophobicContact CD2-CD2 3.89Å; F177-Y316 AromaticContact CD2-CE2 3.75Å; F177-Y316 HydrophobicContact CD2-CE2 3.75Å; F177-Y316 HydrophobicContact CE1-CD2 4.32Å; F177-Y316 VanDerWaalsContact CE1-O 3.23Å; F177-Y316 WeakPolarHBondContact CE1-O 3.28Å; F177-Y316 HydrophobicContact CE2-CD2 4.3Å; F177-Y316 HydrophobicContact CE2-CE2 4.39Å; F177-Y316 AromaticContact CG-CD2 3.68Å; F177-Y316 HydrophobicContact CG-CD2 3.68Å; F177-Y316 AromaticContact CG-CE2 3.84Å; F177-Y316 HydrophobicContact CG-CE2 3.84Å; V181-Y316 HydrophobicContact CG1-CD1 4.25Å; V181-Y316 HydrophobicContact CG1-CD2 4.18Å; V181-Y316 HydrophobicContact CG1-CE1 4.1Å; V181-Y316 HydrophobicContact CG1-CE2 4.02Å; V181-Y316 HydrophobicContact CG1-CG 4.3Å; V181-Y316 HydrophobicContact CG2-CE2 4.29Å
317	Y	96.7	Very high	91.7	Very high	52 Å²	52	84 Å²	84	20%	0.204	42%	0.419	C	S	.	.	S	Bend	trans	-118.2	-4.6	-168.5	56.5	-100.2	0	0	0	116	N147 A172 P173 H315	N147-Y317 HydrophobicContact CB-CE1 3.87Å; N147-Y317 PolarHBondContact ND2-OH 3.44Å; N147-Y317 VanDerWaalsContact ND2-OH 3.1Å; A172-Y317 HydrophobicContact CB-CD1 4.04Å; A172-Y317 HydrophobicContact CB-CE1 3.5Å; P173-Y317 HydrophobicContact CG-CD1 4.03Å; P173-Y317 HydrophobicContact CG-CD2 4.01Å; P173-Y317 HydrophobicContact CG-CG 3.51Å; H315-Y317 HydrophobicContact CB-CD1 4.05Å; H315-Y317 HydrophobicContact CB-CD2 4.28Å; H315-Y317 HydrophobicContact CB-CE1 3.83Å; H315-Y317 HydrophobicContact CB-CE2 4Å; H315-Y317 HydrophobicContact CB-CG 4.29Å; H315-Y317 AromaticContact CG-CZ 3.69Å; H315-Y317 AromaticContact ND1-CE2 3.94Å; H315-Y317 AromaticContact ND1-CZ 3.84Å; H315-Y317 PolarHBondContact O-N 3.45Å
318	D	94.3	Very high	91.4	Very high	43 Å²	43	83.9 Å²	83.9	23%	0.23	43%	0.431	C	S	.	.	S	Bend	trans	-143.9	173.4	179.8	70.5	33	0	0	0	111.7	H315 L320	H315-D318 WeakPolarHBondContact CB-OD1 3.31Å; H315-D318 IonicContact CE1-OD2 3.63Å; H315-D318 IonicContact CG-OD1 3.58Å; H315-D318 IonicContact CG-OD2 3.82Å; H315-D318 VanDerWaalsContact ND1-CG 3.3Å; H315-D318 IonicContact ND1-OD1 3.03Å; H315-D318 PolarHBondContact ND1-OD1 3.36Å; H315-D318 IonicContact ND1-OD2 2.88Å; H315-D318 PolarHBondContact ND1-OD2 3.01Å; D318-L320 WeakPolarHBondContact OD1-CB 3.23Å; D318-L320 PolarHBondContact OD1-N 3.48Å
319	D	93.6	Very high	91	Very high	127 Å²	127	77.4 Å²	77.4	68%	0.679	40%	0.398	S	S	*	.			trans	-100.7	19.9	177.9	-61.8	-45.9	0	0	0	112.7	K313 K321	K313-D319 IonicContact NZ-OD1 3.77Å; K313-D319 PolarHBondContact NZ-OD1 3.14Å; D319-K321 PolarHBondContact O-N 3.15Å
320	L	90.8	Very high	90.6	Very high	78 Å²	78	77.8 Å²	77.8	41%	0.408	39%	0.393	S	S	.	.			trans	-62.1	134.4	177.3	-174.6	65.8	0	0	0	109.3	Y314 D318	Y314-L320 VanDerWaalsContact CB-O 3.22Å; Y314-L320 WeakPolarHBondContact CB-O 3.4Å; Y314-L320 HydrophobicContact CD1-CB 4.32Å; Y314-L320 HydrophobicContact CD1-CD2 3.96Å; Y314-L320 HydrophobicContact CD1-CG 4.13Å; Y314-L320 HydrophobicContact CE1-CD2 3.9Å; D318-L320 WeakPolarHBondContact OD1-CB 3.23Å; D318-L320 PolarHBondContact OD1-N 3.48Å
321	K	90.4	Very high	90.5	Very high	194 Å²	194	73 Å²	73	84%	0.843	37%	0.373	S	S	*	.			trans	-102.5	135.4	175	-60.9	-174.2	-177.8	178.3	0	109.9	D319	D319-K321 PolarHBondContact O-N 3.15Å
322	Y	88.8	Confident	90.3	Very high	56 Å²	56	74.9 Å²	74.9	22%	0.22	36%	0.362	C	S	.	.			trans	-118.1	134.7	176.8	-162.8	-94	0	0	0	111.8	Y314 Y324 S329 M333	Y314-Y322 HydrophobicContact CD1-CG 4.43Å; Y314-Y322 HydrophobicContact CD2-CG 4.28Å; Y314-Y322 AromaticContact CE1-CD2 3.83Å; Y314-Y322 HydrophobicContact CE1-CD2 3.83Å; Y314-Y322 HydrophobicContact CE1-CG 4.07Å; Y314-Y322 HydrophobicContact CE2-CD1 4.41Å; Y314-Y322 HydrophobicContact CE2-CD2 4.3Å; Y314-Y322 AromaticContact CE2-CG 3.91Å; Y314-Y322 HydrophobicContact CE2-CG 3.91Å; Y314-Y322 AromaticContact CZ-CD2 3.71Å; Y314-Y322 AromaticContact CZ-CG 3.8Å; Y322-Y324 AromaticContact CD1-CD1 3.59Å; Y322-Y324 HydrophobicContact CD1-CD1 3.59Å; Y322-Y324 HydrophobicContact CD1-CE1 4Å; Y322-Y324 HydrophobicContact CD1-CG 4.03Å; Y322-Y324 HydrophobicContact CE1-CD1 4.29Å; Y322-Y324 HydrophobicContact CG-CD1 4.49Å; Y322-Y324 PolarHBondContact O-N 3.21Å; Y322-S329 PolarHBondContact OH-OG 3.48Å; Y322-M333 HydrophobicContact CD1-CE 3.39Å; Y322-M333 HydrophobicContact CE1-CE 3.07Å; Y322-M333 HydrophobicContact CE2-CE 4.26Å; Y322-M333 HydrophobicContact CG-CE 4.1Å
323	R	88.8	Confident	90.1	Very high	208 Å²	208	75.2 Å²	75.2	79%	0.785	36%	0.363	S	S	*	.			trans	-89.8	79.9	176.1	-62.7	-176.1	-176.9	179.2	0.6	109.8	F325 S326	R323-F325 PolarHBondContact O-N 3.2Å; R323-F325 VanDerWaalsContact O-N 3.09Å; R323-S326 WeakPolarHBondContact O-CB 3.35Å; R323-S326 PolarHBondContact O-N 3.44Å; R323-S326 VanDerWaalsContact O-N 3.08Å
324	Y	85.4	Confident	90	Very high	18 Å²	18	71.9 Å²	71.9	7%	0.071	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.8	-173.7	-60	-75.2	0	0	0	115	P302 Y314 Y322 M333	P302-Y324 VanDerWaalsContact C-CE1 3.47Å; P302-Y324 VanDerWaalsContact CA-CE1 3.45Å; P302-Y324 HydrophobicContact CB-CD1 3.8Å; P302-Y324 HydrophobicContact CB-CE1 3.89Å; P302-Y324 WeakPolarHBondContact O-CD1 3.22Å; Y314-Y324 WeakPolarHBondContact CA-OH 3.48Å; Y314-Y324 AromaticContact CD2-CE1 3.68Å; Y314-Y324 HydrophobicContact CD2-CE1 3.68Å; Y314-Y324 AromaticContact CD2-CZ 3.72Å; Y314-Y324 VanDerWaalsContact CD2-OH 3.25Å; Y314-Y324 WeakPolarHBondContact CD2-OH 3.49Å; Y314-Y324 AromaticContact CE2-CE1 3.89Å; Y314-Y324 HydrophobicContact CE2-CE1 3.89Å; Y322-Y324 AromaticContact CD1-CD1 3.59Å; Y322-Y324 HydrophobicContact CD1-CD1 3.59Å; Y322-Y324 HydrophobicContact CD1-CE1 4Å; Y322-Y324 HydrophobicContact CD1-CG 4.03Å; Y322-Y324 HydrophobicContact CE1-CD1 4.29Å; Y322-Y324 HydrophobicContact CG-CD1 4.49Å; Y322-Y324 PolarHBondContact O-N 3.21Å; Y324-M333 HydrophobicContact CD1-CE 3.81Å; Y324-M333 HydrophobicContact CE1-CE 4.01Å
325	F	84.3	Confident	89.9	Confident	120 Å²	120	71.6 Å²	71.6	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	5.6	-175.4	-53.5	-75.3	0	0	0	113.7	F303 R323 N327 P334	F303-F325 HydrophobicContact CD1-CZ 4.02Å; F303-F325 HydrophobicContact CE1-CZ 4.29Å; R323-F325 PolarHBondContact O-N 3.2Å; R323-F325 VanDerWaalsContact O-N 3.09Å; F325-N327 PolarHBondContact O-N 2.88Å; F325-P334 HydrophobicContact CD1-CG 4.18Å; F325-P334 HydrophobicContact CE1-CB 4.23Å; F325-P334 HydrophobicContact CE1-CG 3.83Å; F325-P334 HydrophobicContact CZ-CG 4.45Å
326	S	85.8	Confident	89.9	Confident	45 Å²	45	71.4 Å²	71.4	32%	0.315	35%	0.352	S	S	.	.			trans	-71.1	129.7	179.2	-177.2	0	0	0	0	111.2	R323 A328 S329	R323-S326 WeakPolarHBondContact O-CB 3.35Å; R323-S326 PolarHBondContact O-N 3.44Å; R323-S326 VanDerWaalsContact O-N 3.08Å; S326-A328 PolarHBondContact O-N 2.84Å; S326-A328 PolarHBondContact OG-N 3.42Å; S326-S329 WeakPolarHBondContact O-CB 3.49Å; S326-S329 PolarHBondContact O-N 3.16Å
327	N	79.3	Confident	89.9	Confident	157 Å²	157	71.4 Å²	71.4	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.4	171.6	-73	-30.1	0	0	0	113.4	F325 S329	F325-N327 PolarHBondContact O-N 2.88Å; N327-S329 VanDerWaalsContact C-N 3.26Å
328	A	81.8	Confident	89.8	Confident	86 Å²	86	73 Å²	73	71%	0.711	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.4	173.9	0	0	0	0	0	112.5	S326	S326-A328 PolarHBondContact O-N 2.84Å; S326-A328 PolarHBondContact OG-N 3.42Å
329	S	83.3	Confident	90	Very high	14 Å²	14	72 Å²	72	10%	0.098	36%	0.355	C	S	.	.			trans	-58	132.6	176.2	174.3	0	0	0	0	110.4	Y322 S326 N327 H331	Y322-S329 PolarHBondContact OH-OG 3.48Å; S326-S329 WeakPolarHBondContact O-CB 3.49Å; S326-S329 PolarHBondContact O-N 3.16Å; N327-S329 VanDerWaalsContact C-N 3.26Å; S329-H331 WeakPolarHBondContact CB-O 3.45Å; S329-H331 PolarHBondContact O-N 3.37Å; S329-H331 PolarHBondContact OG-N 3.06Å; S329-H331 VanDerWaalsContact OG-N 3.08Å; S329-H331 PolarHBondContact OG-O 2.89Å
330	P	84.1	Confident	90.2	Very high	47 Å²	47	66 Å²	66	31%	0.305	32%	0.323	S	S	.	.	S	Bend	trans	-70.2	-19.9	172.8	29.8	-34.3	0	0	0	112.1	R277	R277-P330 WeakPolarHBondContact CB-O 3.3Å; R277-P330 PolarHBondContact N-O 3.49Å; R277-P330 VanDerWaalsContact NH2-CG 3.33Å
331	H	90.3	Very high	90.5	Very high	26 Å²	26	63 Å²	63	12%	0.12	31%	0.308	C	S	.	.			trans	-110.4	150.1	-175.7	-58.4	-61.1	0	0	0	111.7	R277 P278 S279 S329 M333	R277-H331 VanDerWaalsContact CZ-NE2 3.34Å; R277-H331 PolarHBondContact NH1-CE1 2.99Å; R277-H331 PolarHBondContact NH2-CE1 2.59Å; R277-H331 PolarHBondContact NH2-NE2 3.35Å; R277-H331 PolarHBondContact O-ND1 2.87Å; P278-H331 PolarHBondContact O-CE1 3.04Å; P278-H331 PolarHBondContact O-ND1 3.01Å; S279-H331 PolarHBondContact N-ND1 2.83Å; S329-H331 WeakPolarHBondContact CB-O 3.45Å; S329-H331 PolarHBondContact O-N 3.37Å; S329-H331 PolarHBondContact OG-N 3.06Å; S329-H331 VanDerWaalsContact OG-N 3.08Å; S329-H331 PolarHBondContact OG-O 2.89Å; H331-M333 HydrophobicContact CB-CG 3.94Å
332	R	91.6	Very high	90.8	Very high	122 Å²	122	57.1 Å²	57.1	46%	0.46	29%	0.288	S	S	.	.			trans	-110.1	56.6	170.9	-66.6	-167.8	172.3	-177.1	-4.7	110.1	P334 L335 E336	R332-P334 VanDerWaalsContact C-N 3.33Å; R332-L335 HydrophobicContact CB-CB 4.02Å; R332-L335 HydrophobicContact CB-CD2 4.33Å; R332-L335 WeakPolarHBondContact O-CA 3.37Å; R332-L335 VanDerWaalsContact O-CB 3.32Å; R332-L335 WeakPolarHBondContact O-CB 3.48Å; R332-L335 PolarHBondContact O-N 3.41Å; R332-E336 WeakPolarHBondContact O-CG 3.49Å; R332-E336 PolarHBondContact O-N 3.49Å
333	M	94.1	Very high	91.3	Very high	24 Å²	24	55.4 Å²	55.4	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-53.7	-39.6	-171.8	-66.4	-170.3	-81.3	0	0	114.4	P302 Y314 Y322 Y324 H331 L335 E336 F337	P302-M333 HydrophobicContact CB-CB 3.54Å; P302-M333 HydrophobicContact CG-CB 4.19Å; Y314-M333 HydrophobicContact CE2-CE 3.91Å; Y322-M333 HydrophobicContact CD1-CE 3.39Å; Y322-M333 HydrophobicContact CE1-CE 3.07Å; Y322-M333 HydrophobicContact CE2-CE 4.26Å; Y322-M333 HydrophobicContact CG-CE 4.1Å; Y324-M333 HydrophobicContact CD1-CE 3.81Å; Y324-M333 HydrophobicContact CE1-CE 4.01Å; H331-M333 HydrophobicContact CB-CG 3.94Å; M333-L335 VanDerWaalsContact C-N 3.3Å; M333-L335 PolarHBondContact O-N 3.23Å; M333-E336 WeakPolarHBondContact O-CB 3.29Å; M333-E336 PolarHBondContact O-N 3.03Å; M333-E336 VanDerWaalsContact O-N 3.14Å; M333-F337 PolarHBondContact O-N 2.91Å
334	P	94.4	Very high	91.7	Very high	27 Å²	27	45.9 Å²	45.9	18%	0.175	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-37.7	172.6	-29.6	38	0	0	0	114.4	F303 F325 R332 K338	F303-P334 HydrophobicContact CE1-CB 3.93Å; F303-P334 HydrophobicContact CE1-CG 4.26Å; F303-P334 HydrophobicContact CZ-CB 4.32Å; F325-P334 HydrophobicContact CD1-CG 4.18Å; F325-P334 HydrophobicContact CE1-CB 4.23Å; F325-P334 HydrophobicContact CE1-CG 3.83Å; F325-P334 HydrophobicContact CZ-CG 4.45Å; R332-P334 VanDerWaalsContact C-N 3.33Å; P334-K338 WeakPolarHBondContact O-CB 3.37Å; P334-K338 PolarHBondContact O-N 2.84Å
335	L	94.9	Very high	92.2	Very high	44 Å²	44	50.5 Å²	50.5	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-69.8	-40.1	174.7	174.8	64.9	0	0	0	111.4	V273 P274 I275 R332 M333 K338 T339	V273-L335 HydrophobicContact CG1-CD1 4.45Å; V273-L335 HydrophobicContact CG1-CD2 4.22Å; V273-L335 HydrophobicContact CG1-CG 4.11Å; P274-L335 HydrophobicContact CG-CD2 3.86Å; I275-L335 HydrophobicContact CD1-CD2 4.09Å; I275-L335 HydrophobicContact CD1-CG 4.36Å; R332-L335 HydrophobicContact CB-CB 4.02Å; R332-L335 HydrophobicContact CB-CD2 4.33Å; R332-L335 WeakPolarHBondContact O-CA 3.37Å; R332-L335 VanDerWaalsContact O-CB 3.32Å; R332-L335 WeakPolarHBondContact O-CB 3.48Å; R332-L335 PolarHBondContact O-N 3.41Å; M333-L335 VanDerWaalsContact C-N 3.3Å; M333-L335 PolarHBondContact O-N 3.23Å; L335-K338 PolarHBondContact O-N 2.98Å; L335-T339 WeakPolarHBondContact O-CB 3.44Å; L335-T339 PolarHBondContact O-N 3.47Å; L335-T339 PolarHBondContact O-OG1 3.33Å
336	E	97.1	Very high	92.8	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-49	175	-57.7	-178.2	-169	0	0	110.3	I275 S279 L282 R332 M333 K338 T339 L340	I275-E336 HydrophobicContact CD1-CG 3.72Å; S279-E336 WeakPolarHBondContact CB-OE2 3.4Å; S279-E336 PolarHBondContact N-OE1 3.09Å; S279-E336 VanDerWaalsContact N-OE1 3.08Å; S279-E336 PolarHBondContact N-OE2 3.24Å; S279-E336 PolarHBondContact OG-OE2 2.96Å; L282-E336 WeakPolarHBondContact CB-OE2 3.47Å; L282-E336 HydrophobicContact CD2-CB 4.39Å; L282-E336 HydrophobicContact CD2-CG 3.83Å; R332-E336 WeakPolarHBondContact O-CG 3.49Å; R332-E336 PolarHBondContact O-N 3.49Å; M333-E336 WeakPolarHBondContact O-CB 3.29Å; M333-E336 PolarHBondContact O-N 3.03Å; M333-E336 VanDerWaalsContact O-N 3.14Å; E336-K338 PolarHBondContact O-N 2.95Å; E336-T339 WeakPolarHBondContact O-CB 3.4Å; E336-T339 PolarHBondContact O-N 3.35Å; E336-T339 VanDerWaalsContact O-N 3.15Å; E336-L340 WeakPolarHBondContact O-CG 3.43Å; E336-L340 PolarHBondContact O-N 3.22Å
337	F	97.3	Very high	93.3	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-48.3	176.1	176.5	-91.6	0	0	0	112.2	F64 F300 W301 P302 F303 M333 T339 L340 N341 L351 T353	F64-F337 HydrophobicContact CD1-CE1 4.29Å; F64-F337 HydrophobicContact CE1-CE1 4.04Å; F300-F337 WeakPolarHBondContact O-CD2 3.1Å; F300-F337 WeakPolarHBondContact O-CE2 3.46Å; W301-F337 AromaticContact CE3-CE2 3.87Å; W301-F337 HydrophobicContact CE3-CE2 3.87Å; W301-F337 AromaticContact CE3-CZ 3.73Å; W301-F337 HydrophobicContact CE3-CZ 3.73Å; W301-F337 HydrophobicContact CZ3-CE1 4.31Å; W301-F337 HydrophobicContact CZ3-CE2 4.32Å; W301-F337 AromaticContact CZ3-CZ 3.7Å; W301-F337 HydrophobicContact CZ3-CZ 3.7Å; P302-F337 HydrophobicContact CG-CB 3.6Å; P302-F337 HydrophobicContact CG-CG 4.18Å; F303-F337 AromaticContact CE2-CD1 3.51Å; F303-F337 HydrophobicContact CE2-CD1 3.51Å; F303-F337 AromaticContact CE2-CE1 3.77Å; F303-F337 HydrophobicContact CE2-CE1 3.77Å; F303-F337 AromaticContact CE2-CG 3.97Å; F303-F337 HydrophobicContact CE2-CG 3.97Å; F303-F337 HydrophobicContact CE2-CZ 4.42Å; F303-F337 AromaticContact CZ-CD1 3.88Å; F303-F337 HydrophobicContact CZ-CD1 3.88Å; F303-F337 HydrophobicContact CZ-CE1 4.44Å; F303-F337 HydrophobicContact CZ-CG 4.43Å; M333-F337 PolarHBondContact O-N 2.91Å; F337-T339 PolarHBondContact O-N 3.21Å; F337-L340 PolarHBondContact O-N 3.36Å; F337-L340 VanDerWaalsContact O-N 3.14Å; F337-N341 HydrophobicContact CE1-CB 4.41Å; F337-N341 WeakPolarHBondContact O-CB 3.32Å; F337-N341 PolarHBondContact O-N 2.84Å; F337-L351 HydrophobicContact CD2-CD2 4.32Å; F337-L351 HydrophobicContact CE2-CD2 3.79Å; F337-L351 HydrophobicContact CZ-CD2 4.22Å; F337-T353 HydrophobicContact CE2-CG2 3.88Å; F337-T353 HydrophobicContact CZ-CG2 4.19Å
338	K	96.4	Very high	94.2	Very high	85 Å²	85	42.6 Å²	42.6	37%	0.37	22%	0.224	S	C	.	.	H	α-helix	trans	-55.1	-41.6	176.7	-178.7	177.1	178.8	175.5	0	111.5	L44 P334 L335 E336 N341 V342	L44-K338 VanDerWaalsContact CD2-NZ 3.31Å; P334-K338 WeakPolarHBondContact O-CB 3.37Å; P334-K338 PolarHBondContact O-N 2.84Å; L335-K338 PolarHBondContact O-N 2.98Å; E336-K338 PolarHBondContact O-N 2.95Å; K338-N341 PolarHBondContact O-N 3.25Å; K338-V342 WeakPolarHBondContact O-CG2 3.38Å; K338-V342 PolarHBondContact O-N 3.47Å
339	T	97.4	Very high	95	Very high	22 Å²	22	38.6 Å²	38.6	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-47	178.3	-54.7	0	0	0	0	111.3	W268 V273 L335 E336 F337 N341 V342 L343	W268-T339 HydrophobicContact CE3-CG2 4.08Å; W268-T339 HydrophobicContact CH2-CG2 4.19Å; W268-T339 HydrophobicContact CZ3-CG2 3.45Å; W268-T339 VanDerWaalsContact CZ3-CG2 3.45Å; V273-T339 HydrophobicContact CG1-CG2 4.41Å; V273-T339 WeakPolarHBondContact CG1-OG1 3.26Å; V273-T339 HydrophobicContact CG2-CG2 3.91Å; L335-T339 WeakPolarHBondContact O-CB 3.44Å; L335-T339 PolarHBondContact O-N 3.47Å; L335-T339 PolarHBondContact O-OG1 3.33Å; E336-T339 WeakPolarHBondContact O-CB 3.4Å; E336-T339 PolarHBondContact O-N 3.35Å; E336-T339 VanDerWaalsContact O-N 3.15Å; F337-T339 PolarHBondContact O-N 3.21Å; T339-N341 VanDerWaalsContact C-N 3.3Å; T339-N341 PolarHBondContact O-N 3.39Å; T339-V342 PolarHBondContact O-N 3.47Å; T339-L343 WeakPolarHBondContact O-CG 3.36Å; T339-L343 PolarHBondContact O-N 2.98Å
340	L	98.2	Very high	95.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-35.9	177.3	-65.2	170.3	0	0	0	111.9	L282 Y285 L297 F300 E336 F337 L343 H344 L349 L351	L282-L340 HydrophobicContact CD1-CD2 4.2Å; Y285-L340 HydrophobicContact CD1-CD2 3.81Å; Y285-L340 HydrophobicContact CE1-CD2 4.07Å; Y285-L340 HydrophobicContact CG-CD2 4.07Å; L297-L340 HydrophobicContact CD1-CB 4.35Å; L297-L340 HydrophobicContact CD1-CD1 3.97Å; L297-L340 HydrophobicContact CD1-CD2 3.9Å; L297-L340 HydrophobicContact CD1-CG 4.29Å; F300-L340 HydrophobicContact CD1-CD1 3.5Å; F300-L340 HydrophobicContact CE1-CD1 3.84Å; F300-L340 HydrophobicContact CG-CD1 4.45Å; E336-L340 WeakPolarHBondContact O-CG 3.43Å; E336-L340 PolarHBondContact O-N 3.22Å; F337-L340 PolarHBondContact O-N 3.36Å; F337-L340 VanDerWaalsContact O-N 3.14Å; L340-L343 WeakPolarHBondContact O-CB 3.08Å; L340-L343 PolarHBondContact O-N 3.14Å; L340-H344 PolarHBondContact O-N 3.35Å; L340-L349 HydrophobicContact CB-CD2 4.48Å; L340-L349 HydrophobicContact CD2-CD2 3.75Å; L340-L351 HydrophobicContact CB-CD2 4.49Å
341	N	96.9	Very high	96.4	Very high	15 Å²	15	37 Å²	37	8%	0.08	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-38.1	175.6	-166.1	64	0	0	0	112.4	F337 K338 T339 L343 H344 N345 L351	F337-N341 HydrophobicContact CE1-CB 4.41Å; F337-N341 WeakPolarHBondContact O-CB 3.32Å; F337-N341 PolarHBondContact O-N 2.84Å; K338-N341 PolarHBondContact O-N 3.25Å; T339-N341 VanDerWaalsContact C-N 3.3Å; T339-N341 PolarHBondContact O-N 3.39Å; N341-L343 VanDerWaalsContact C-N 3.33Å; N341-H344 WeakPolarHBondContact O-CB 3.25Å; N341-H344 PolarHBondContact O-N 2.95Å; N341-N345 VanDerWaalsContact O-CG 3.3Å; N341-N345 PolarHBondContact O-N 2.72Å; N341-N345 PolarHBondContact O-OD1 3.31Å; N341-L351 HydrophobicContact CB-CD2 4.08Å
342	V	96.9	Very high	96.7	Very high	72 Å²	72	36 Å²	36	44%	0.436	17%	0.173	S	C	.	.	H	α-helix	trans	-63	-41.8	171.9	169.5	0	0	0	0	111	K338 T339 H344 N345 R346	K338-V342 WeakPolarHBondContact O-CG2 3.38Å; K338-V342 PolarHBondContact O-N 3.47Å; T339-V342 PolarHBondContact O-N 3.47Å; V342-H344 VanDerWaalsContact C-N 3.3Å; V342-H344 PolarHBondContact O-N 3.47Å; V342-N345 PolarHBondContact O-N 3.48Å; V342-R346 WeakPolarHBondContact O-CG 3.13Å; V342-R346 PolarHBondContact O-N 3.42Å
343	L	98.1	Very high	96.7	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-36.9	175.1	-68.9	177.1	0	0	0	111.9	I81 W268 Y285 T339 L340 N341 R346 G347 A348 L349	I81-L343 HydrophobicContact CD1-CD2 3.84Å; W268-L343 HydrophobicContact CH2-CD1 3.93Å; W268-L343 HydrophobicContact CZ3-CD1 4.41Å; Y285-L343 HydrophobicContact CE1-CD1 4.09Å; T339-L343 WeakPolarHBondContact O-CG 3.36Å; T339-L343 PolarHBondContact O-N 2.98Å; L340-L343 WeakPolarHBondContact O-CB 3.08Å; L340-L343 PolarHBondContact O-N 3.14Å; N341-L343 VanDerWaalsContact C-N 3.33Å; L343-R346 PolarHBondContact O-N 3.07Å; L343-G347 PolarHBondContact O-N 3.41Å; L343-A348 HydrophobicContact CB-CB 4.1Å; L343-A348 HydrophobicContact CD2-CB 4.13Å; L343-A348 WeakPolarHBondContact O-CB 3.46Å; L343-A348 PolarHBondContact O-N 2.86Å; L343-L349 HydrophobicContact CB-CD2 3.69Å; L343-L349 HydrophobicContact CB-CG 4Å; L343-L349 HydrophobicContact CD1-CD2 4.04Å
344	H	97.6	Very high	96.5	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-53.3	173.4	171.9	64.6	0	0	0	112.3	W71 L340 N341 V342 R346 G347 L349 L351	W71-H344 AromaticContact CD1-CE1 3.15Å; W71-H344 AromaticContact CD1-ND1 3.34Å; W71-H344 VanDerWaalsContact CD1-ND1 3.34Å; W71-H344 AromaticContact CD1-NE2 3.94Å; W71-H344 AromaticContact CG-CE1 3.72Å; W71-H344 AromaticContact NE1-CE1 3.67Å; W71-H344 AromaticContact NE1-ND1 3.32Å; W71-H344 PolarHBondContact NE1-ND1 2.9Å; W71-H344 PolarHBondContact NE1-O 3.07Å; L340-H344 PolarHBondContact O-N 3.35Å; N341-H344 WeakPolarHBondContact O-CB 3.25Å; N341-H344 PolarHBondContact O-N 2.95Å; V342-H344 VanDerWaalsContact C-N 3.3Å; V342-H344 PolarHBondContact O-N 3.47Å; H344-R346 PolarHBondContact O-N 3.41Å; H344-R346 VanDerWaalsContact O-N 3.11Å; H344-G347 PolarHBondContact O-N 3.38Å; H344-L349 VanDerWaalsContact CA-O 3.25Å; H344-L349 WeakPolarHBondContact CA-O 3.37Å; H344-L349 HydrophobicContact CB-CD1 3.97Å; H344-L349 PolarHBondContact ND1-O 2.97Å; H344-L351 HydrophobicContact CB-CB 3.77Å; H344-L351 PolarHBondContact ND1-N 2.99Å
345	N	96.4	Very high	96.4	Very high	114 Å²	114	37 Å²	37	61%	0.61	19%	0.188	S	C	*	.	H	α-helix	trans	-62	-22.5	-179.3	-66.5	-7.7	0	0	0	113.2	N341 V342	N341-N345 VanDerWaalsContact O-CG 3.3Å; N341-N345 PolarHBondContact O-N 2.72Å; N341-N345 PolarHBondContact O-OD1 3.31Å; V342-N345 PolarHBondContact O-N 3.48Å
346	R	96.9	Very high	96.3	Very high	146 Å²	146	35.5 Å²	35.5	55%	0.551	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.7	176.7	-65.9	179.2	65.9	-174.4	-0.7	113.8	N74 L77 V342 L343 H344	N74-R346 VanDerWaalsContact CB-O 3.3Å; N74-R346 WeakPolarHBondContact CB-O 3.49Å; L77-R346 HydrophobicContact CD2-CB 3.53Å; V342-R346 WeakPolarHBondContact O-CG 3.13Å; V342-R346 PolarHBondContact O-N 3.42Å; L343-R346 PolarHBondContact O-N 3.07Å; H344-R346 PolarHBondContact O-N 3.41Å; H344-R346 VanDerWaalsContact O-N 3.11Å
347	G	97.3	Very high	95.4	Very high	4 Å²	4	40 Å²	40	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	15.6	179.5	0	0	0	0	0	114.9	K72 N74 L343 H344	K72-G347 WeakPolarHBondContact O-CA 3.47Å; N74-G347 PolarHBondContact N-O 3.42Å; L343-G347 PolarHBondContact O-N 3.41Å; H344-G347 PolarHBondContact O-N 3.38Å
348	A	98.3	Very high	93.8	Very high	7 Å²	7	47.7 Å²	47.7	6%	0.058	24%	0.242	C	C	.	.	S	Bend	trans	-81.1	-25.3	179.8	0	0	0	0	0	113.7	L77 V78 I81 L343	L77-A348 HydrophobicContact CD2-CB 3.83Å; L77-A348 HydrophobicContact CG-CB 4.05Å; V78-A348 WeakPolarHBondContact CG2-O 3.47Å; I81-A348 HydrophobicContact CD1-CB 3.59Å; L343-A348 HydrophobicContact CB-CB 4.1Å; L343-A348 HydrophobicContact CD2-CB 4.13Å; L343-A348 WeakPolarHBondContact O-CB 3.46Å; L343-A348 PolarHBondContact O-N 2.86Å
349	L	98.3	Very high	91.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-153.1	156.7	176.4	64.3	85.5	0	0	0	108.9	W71 Y285 I295 L297 L340 L343 H344 L351	W71-L349 WeakPolarHBondContact CZ2-O 3.37Å; W71-L349 PolarHBondContact NE1-O 3.48Å; Y285-L349 HydrophobicContact CD2-CD2 4.02Å; Y285-L349 HydrophobicContact CE1-CD2 4.26Å; Y285-L349 HydrophobicContact CE2-CB 3.95Å; Y285-L349 HydrophobicContact CE2-CD2 3.34Å; Y285-L349 HydrophobicContact CE2-CG 4.29Å; Y285-L349 VanDerWaalsContact CZ-CD2 3.48Å; I295-L349 WeakPolarHBondContact O-CA 3.27Å; L297-L349 HydrophobicContact CD1-CD1 3.74Å; L297-L349 HydrophobicContact CD1-CD2 3.92Å; L297-L349 HydrophobicContact CD1-CG 4.41Å; L297-L349 HydrophobicContact CG-CD1 4.05Å; L340-L349 HydrophobicContact CB-CD2 4.48Å; L340-L349 HydrophobicContact CD2-CD2 3.75Å; L343-L349 HydrophobicContact CB-CD2 3.69Å; L343-L349 HydrophobicContact CB-CG 4Å; L343-L349 HydrophobicContact CD1-CD2 4.04Å; H344-L349 VanDerWaalsContact CA-O 3.25Å; H344-L349 WeakPolarHBondContact CA-O 3.37Å; H344-L349 HydrophobicContact CB-CD1 3.97Å; H344-L349 PolarHBondContact ND1-O 2.97Å; L349-L351 HydrophobicContact CD1-CB 3.77Å
350	K	98.1	Very high	91.4	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.126	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.6	168.3	-165.6	-169.3	179	-169.5	0	108.6	V68 W71 E159 I295 H296 L297	V68-K350 HydrophobicContact CG1-CD 4.32Å; V68-K350 HydrophobicContact CG1-CG 4.47Å; W71-K350 HydrophobicContact CD2-CB 4.1Å; W71-K350 HydrophobicContact CD2-CG 3.98Å; W71-K350 HydrophobicContact CE3-CB 3.99Å; W71-K350 HydrophobicContact CE3-CD 4.24Å; W71-K350 HydrophobicContact CE3-CG 3.92Å; W71-K350 HydrophobicContact CG-CG 4.41Å; W71-K350 HydrophobicContact CH2-CB 3.96Å; W71-K350 HydrophobicContact CZ2-CB 4.09Å; W71-K350 HydrophobicContact CZ3-CB 3.91Å; W71-K350 HydrophobicContact CZ3-CG 4.32Å; E159-K350 IonicContact OE1-NZ 3.29Å; E159-K350 PolarHBondContact OE1-NZ 2.81Å; I295-K350 PolarHBondContact O-N 3.25Å; H296-K350 CarbonylContact C-O 3.58Å; H296-K350 WeakPolarHBondContact CA-O 3.24Å; H296-K350 HydrophobicContact CB-CB 4.37Å; H296-K350 WeakPolarHBondContact CE1-CD 3.31Å; H296-K350 WeakPolarHBondContact ND1-CD 3.45Å; L297-K350 PolarHBondContact N-O 3.27Å
351	L	97.9	Very high	91	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.3	177.5	177	60.6	0	0	0	109.2	L297 F300 F337 L340 N341 H344 L349 T353	L297-L351 HydrophobicContact CB-CD1 3.79Å; L297-L351 HydrophobicContact CD1-CD1 4.31Å; F300-L351 HydrophobicContact CB-CD1 3.78Å; F337-L351 HydrophobicContact CD2-CD2 4.32Å; F337-L351 HydrophobicContact CE2-CD2 3.79Å; F337-L351 HydrophobicContact CZ-CD2 4.22Å; L340-L351 HydrophobicContact CB-CD2 4.49Å; N341-L351 HydrophobicContact CB-CD2 4.08Å; H344-L351 HydrophobicContact CB-CB 3.77Å; H344-L351 PolarHBondContact ND1-N 2.99Å; L349-L351 HydrophobicContact CD1-CB 3.77Å; L351-T353 HydrophobicContact CD1-CG2 4.34Å; L351-T353 HydrophobicContact CG-CG2 4.06Å
352	T	96	Very high	90.7	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.3	180	-56.6	0	0	0	0	110	L297 Y298	L297-T352 PolarHBondContact O-N 3.31Å; Y298-T352 HydrophobicContact CD1-CG2 3.99Å; Y298-T352 HydrophobicContact CE1-CG2 4.02Å
353	T	92.8	Very high	90.3	Very high	13 Å²	13	59.8 Å²	59.8	8%	0.08	30%	0.297	C	S	.	.			trans	-126.6	9.2	-178	54.4	0	0	0	0	112.8	H66 I150 W301 F337 L351	H66-T353 PolarHBondContact CD2-OG1 3.13Å; H66-T353 PolarHBondContact CE1-OG1 3.47Å; H66-T353 PolarHBondContact ND1-OG1 3.19Å; H66-T353 PolarHBondContact NE2-OG1 3.32Å; I150-T353 WeakPolarHBondContact CD1-O 3.37Å; I150-T353 WeakPolarHBondContact CG1-O 3.35Å; W301-T353 HydrophobicContact CE3-CG2 3.98Å; W301-T353 HydrophobicContact CZ3-CG2 4.45Å; F337-T353 HydrophobicContact CE2-CG2 3.88Å; F337-T353 HydrophobicContact CZ-CG2 4.19Å; L351-T353 HydrophobicContact CD1-CG2 4.34Å; L351-T353 HydrophobicContact CG-CG2 4.06Å
354	G	89.6	Confident	89.8	Confident	37 Å²	37	62.3 Å²	62.3	38%	0.381	31%	0.309	S	S	.	.	S	Bend	trans	-137.5	-161.4	178.5	0	0	0	0	0	110.9
355	K	92.6	Very high	89.3	Confident	142 Å²	142	65.9 Å²	65.9	62%	0.617	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-64.9	143.3	176.7	-62.6	-164	171.4	-154.8	0	111.2	D153 S154	D153-K355 VanDerWaalsContact O-CE 3.27Å; D153-K355 WeakPolarHBondContact O-CE 3.43Å; S154-K355 CarbonylContact O-C 3.47Å; S154-K355 VanDerWaalsContact O-CA 3.3Å; S154-K355 WeakPolarHBondContact O-CA 3.29Å
356	C	91.9	Very high	88.8	Confident	14 Å²	14	62.4 Å²	62.4	10%	0.095	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-81.8	149	167.3	-71.1	0	0	0	0	110	S154 C156 E159	S154-C356 PolarHBondContact O-N 2.82Å; C156-C356 WeakPolarHBondContact CA-SG 3.33Å; C156-C356 HydrophobicContact CB-CB 3.88Å; C156-C356 WeakPolarHBondContact CB-SG 3.34Å; C156-C356 WeakPolarHBondContact SG-CB 3.46Å; C156-C356 PolarHBondContact SG-N 2.83Å; C156-C356 VanDerWaalsContact SG-N 3.4Å; C156-C356 CovalentContact SG-SG 2.04Å; C156-C356 PolarHBondContact SG-SG 2.82Å; E159-C356 HydrophobicContact CB-CB 4.42Å; E159-C356 WeakPolarHBondContact OE2-CB 3.39Å; E159-C356 PolarHBondContact OE2-SG 2.91Å
357	V	79.4	Confident	88.2	Confident	101 Å²	101	56 Å²	56	61%	0.612	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-74.2	136.1	176.8	-175.3	0	0	0	0	108	Q359	V357-Q359 PolarHBondContact O-N 3.19Å
358	K	62.6	Low	87.4	Confident	165 Å²	165	60.3 Å²	60.3	72%	0.717	31%	0.309	S	S	*	.			trans	-62.8	108	170.6	-70.3	-176.2	178.3	179.5	0	107.9	E155	E155-K358 WeakPolarHBondContact OE2-CE 3.26Å; E155-K358 IonicContact OE2-NZ 3.02Å
359	Q	51.5	Low	86.4	Confident	210 Å²	210	65.2 Å²	65.2	98%	0.981	33%	0.331	S	S	*	.			trans	-67	0	168.5	-73.2	-177.2	5.6	0	0	110.8	V357	V357-Q359 PolarHBondContact O-N 3.19Å

Retrieved 359 of 359 residues in 73.9 ms (Link to these results)

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