A0A096MTE9_PAPAN Loading...

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 (G7MVH5), UniProt , Accession A0A096MTE9, Species PAPAN (Papio anubis, Olive baboon), Gene ST8SIA4, Length 359 aa.

Structure Viewer

Loading PAE data...

(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 2694.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).