A0A077Z9T5_TRITR Loading...

NADH-cytochrome b5 reductase

AlphaFold DB , UniProt , Accession A0A077Z9T5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 282 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	64.3	Low	241 Å²	241	101.5 Å²	101.5	100%	1.187	61%	0.608	S	S	*	*				0	102	0	-85.6	175.5	177	0	0	108.2	S3	M1-S3 PolarHBondContact O-N 3Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2	L	47.8	Very low	65	Low	155 Å²	155	103.8 Å²	103.8	81%	0.812	60%	0.6	S	S	*	*			trans	-63.4	110.2	159.4	-79.8	148.2	0	0	0	105.3	F7	L2-F7 HydrophobicContact CB-CE2 4.43Å
3	S	53.1	Low	65.3	Low	68 Å²	68	106.3 Å²	106.3	48%	0.476	60%	0.6	S	S	.	*			trans	-56.3	144.1	-172.3	52.6	0	0	0	0	110.4	M1 T5 G6	M1-S3 PolarHBondContact O-N 3Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-T5 WeakPolarHBondContact CB-OG1 3.16Å; S3-T5 PolarHBondContact O-N 3.25Å; S3-T5 PolarHBondContact OG-OG1 2.85Å; S3-G6 PolarHBondContact O-N 3.26Å
4	V	61.4	Low	65.8	Low	131 Å²	131	105.7 Å²	105.7	79%	0.794	59%	0.593	S	S	*	*	H	α-helix	trans	-47.4	-28.4	177.2	175.9	0	0	0	0	112.4	G6 F7 A8	V4-G6 PolarHBondContact O-N 2.86Å; V4-F7 PolarHBondContact O-N 3.42Å; V4-A8 PolarHBondContact O-N 3.28Å
5	T	64.6	Low	66.1	Low	101 Å²	101	108.8 Å²	108.8	62%	0.62	59%	0.593	S	S	*	*	H	α-helix	trans	-61.2	-37	173.4	55	0	0	0	0	114.1	S3 A9	S3-T5 WeakPolarHBondContact CB-OG1 3.16Å; S3-T5 PolarHBondContact O-N 3.25Å; S3-T5 PolarHBondContact OG-OG1 2.85Å; T5-A9 WeakPolarHBondContact O-CB 3.48Å; T5-A9 PolarHBondContact O-N 2.87Å
6	G	63.4	Low	66	Low	30 Å²	30	111.3 Å²	111.3	31%	0.309	59%	0.591	S	S	.	*	H	α-helix	trans	-68.7	-40.9	178.9	0	0	0	0	0	112.6	S3 V4 A9 V10	S3-G6 PolarHBondContact O-N 3.26Å; V4-G6 PolarHBondContact O-N 2.86Å; G6-A9 PolarHBondContact O-N 3.06Å; G6-V10 WeakPolarHBondContact O-CB 3.22Å; G6-V10 VanDerWaalsContact O-CG2 3.23Å; G6-V10 WeakPolarHBondContact O-CG2 3.35Å; G6-V10 PolarHBondContact O-N 2.82Å
7	F	72.3	Confident	65.6	Low	144 Å²	144	116.5 Å²	116.5	63%	0.632	60%	0.601	S	S	*	*	H	α-helix	trans	-66.5	-42.5	176.2	-89.6	-82.5	0	0	0	112.3	L2 V4 V10 A11	L2-F7 HydrophobicContact CB-CE2 4.43Å; V4-F7 PolarHBondContact O-N 3.42Å; F7-V10 PolarHBondContact O-N 3.09Å; F7-A11 VanDerWaalsContact O-CB 3.27Å; F7-A11 WeakPolarHBondContact O-CB 2.81Å; F7-A11 PolarHBondContact O-N 3.24Å
8	A	74.1	Confident	65.6	Low	64 Å²	64	116.3 Å²	116.3	53%	0.529	61%	0.605	S	S	.	*	H	α-helix	trans	-63	-42.6	176	0	0	0	0	0	111.8	V4 Y12	V4-A8 PolarHBondContact O-N 3.28Å; A8-Y12 WeakPolarHBondContact O-CB 3.47Å; A8-Y12 PolarHBondContact O-N 3.38Å
9	A	75.9	Confident	65.7	Low	44 Å²	44	113.2 Å²	113.2	36%	0.364	59%	0.593	S	S	.	*	H	α-helix	trans	-62.4	-48.2	175.5	0	0	0	0	0	111.4	T5 G6 Y12 F13	T5-A9 WeakPolarHBondContact O-CB 3.48Å; T5-A9 PolarHBondContact O-N 2.87Å; G6-A9 PolarHBondContact O-N 3.06Å; A9-Y12 PolarHBondContact O-N 3.32Å; A9-F13 WeakPolarHBondContact O-CB 3.15Å; A9-F13 WeakPolarHBondContact O-CD2 3.31Å; A9-F13 PolarHBondContact O-N 2.92Å
10	V	78.9	Confident	66.1	Low	81 Å²	81	117 Å²	117	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-62.1	-45.5	178.5	171.5	0	0	0	0	111.3	G6 F7 Y12 F13 I14	G6-V10 WeakPolarHBondContact O-CB 3.22Å; G6-V10 VanDerWaalsContact O-CG2 3.23Å; G6-V10 WeakPolarHBondContact O-CG2 3.35Å; G6-V10 PolarHBondContact O-N 2.82Å; F7-V10 PolarHBondContact O-N 3.09Å; V10-Y12 VanDerWaalsContact C-N 3.33Å; V10-Y12 PolarHBondContact O-N 3.15Å; V10-F13 PolarHBondContact O-N 2.77Å; V10-I14 HydrophobicContact CG1-CD1 3.69Å; V10-I14 HydrophobicContact CG1-CG1 4.31Å; V10-I14 WeakPolarHBondContact O-CB 3.41Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.17Å; V10-I14 PolarHBondContact O-N 2.88Å
11	A	75.1	Confident	66.9	Low	58 Å²	58	113.5 Å²	113.5	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-41.3	176.4	0	0	0	0	0	111.8	F7 I14 Y15	F7-A11 VanDerWaalsContact O-CB 3.27Å; F7-A11 WeakPolarHBondContact O-CB 2.81Å; F7-A11 PolarHBondContact O-N 3.24Å; A11-I14 PolarHBondContact O-N 2.83Å; A11-Y15 WeakPolarHBondContact O-CB 3.48Å; A11-Y15 PolarHBondContact O-N 3.25Å
12	Y	72.1	Confident	69.3	Low	129 Å²	129	110.1 Å²	110.1	51%	0.506	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-42.2	174.4	177.9	-99.8	0	0	0	112.4	A8 A9 V10 Y15 R16	A8-Y12 WeakPolarHBondContact O-CB 3.47Å; A8-Y12 PolarHBondContact O-N 3.38Å; A9-Y12 PolarHBondContact O-N 3.32Å; V10-Y12 VanDerWaalsContact C-N 3.33Å; V10-Y12 PolarHBondContact O-N 3.15Å; Y12-Y15 PolarHBondContact O-N 2.88Å; Y12-R16 VanDerWaalsContact CE1-CD 3.47Å; Y12-R16 HydrophobicContact CE1-CG 4.22Å; Y12-R16 HydrophobicContact CE2-CG 4.39Å; Y12-R16 WeakPolarHBondContact O-CB 3.37Å; Y12-R16 WeakPolarHBondContact O-CG 3.43Å; Y12-R16 PolarHBondContact O-N 3.28Å
13	F	69.3	Low	71.6	Confident	136 Å²	136	107.9 Å²	107.9	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-41.9	175.1	-86.8	-70.8	0	0	0	112.3	A9 V10 R16 R17	A9-F13 WeakPolarHBondContact O-CB 3.15Å; A9-F13 WeakPolarHBondContact O-CD2 3.31Å; A9-F13 PolarHBondContact O-N 2.92Å; V10-F13 PolarHBondContact O-N 2.77Å; F13-R16 PolarHBondContact O-N 3.36Å; F13-R17 PolarHBondContact O-N 2.9Å
14	I	71.5	Confident	73.6	Confident	98 Å²	98	104.8 Å²	104.8	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-48.7	174.5	-68.5	169	0	0	0	109.6	V10 A11 R16 R17 V18	V10-I14 HydrophobicContact CG1-CD1 3.69Å; V10-I14 HydrophobicContact CG1-CG1 4.31Å; V10-I14 WeakPolarHBondContact O-CB 3.41Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.17Å; V10-I14 PolarHBondContact O-N 2.88Å; A11-I14 PolarHBondContact O-N 2.83Å; I14-R16 VanDerWaalsContact C-N 3.35Å; I14-R16 PolarHBondContact O-N 2.97Å; I14-R17 PolarHBondContact O-N 2.95Å; I14-V18 HydrophobicContact CG2-CG2 4.03Å; I14-V18 WeakPolarHBondContact O-CB 3.39Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 2.88Å
15	Y	70.4	Confident	75.3	Confident	152 Å²	152	99 Å²	99	60%	0.596	49%	0.489	S	S	*	.	H	α-helix	trans	-56.9	-46.1	176.8	180	-100.5	0	0	0	111.5	A11 Y12 R17 V18 C19	A11-Y15 WeakPolarHBondContact O-CB 3.48Å; A11-Y15 PolarHBondContact O-N 3.25Å; Y12-Y15 PolarHBondContact O-N 2.88Å; Y15-R17 VanDerWaalsContact C-N 3.31Å; Y15-R17 PolarHBondContact O-N 3.02Å; Y15-V18 PolarHBondContact O-N 2.95Å; Y15-C19 HydrophobicContact CE1-CB 4.46Å; Y15-C19 HydrophobicContact CE2-CB 4.34Å; Y15-C19 WeakPolarHBondContact CE2-SG 3.34Å; Y15-C19 WeakPolarHBondContact O-CA 3.31Å; Y15-C19 WeakPolarHBondContact O-CB 3.5Å; Y15-C19 PolarHBondContact O-N 2.78Å
16	R	64.8	Low	76.5	Confident	149 Å²	149	100.7 Å²	100.7	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-29.9	174.8	-76.7	-167.9	76.9	174.1	4.6	113.8	Y12 F13 I14 R20	Y12-R16 VanDerWaalsContact CE1-CD 3.47Å; Y12-R16 HydrophobicContact CE1-CG 4.22Å; Y12-R16 HydrophobicContact CE2-CG 4.39Å; Y12-R16 WeakPolarHBondContact O-CB 3.37Å; Y12-R16 WeakPolarHBondContact O-CG 3.43Å; Y12-R16 PolarHBondContact O-N 3.28Å; F13-R16 PolarHBondContact O-N 3.36Å; I14-R16 VanDerWaalsContact C-N 3.35Å; I14-R16 PolarHBondContact O-N 2.97Å; R16-R20 WeakPolarHBondContact O-CG 3.48Å
17	R	60.1	Low	77.9	Confident	200 Å²	200	103 Å²	103	76%	0.755	50%	0.499	S	S	*	.	H	α-helix	trans	-74.7	-42.4	174	-83.2	-165.8	176.2	-168.4	0.7	111.9	F13 I14 Y15	F13-R17 PolarHBondContact O-N 2.9Å; I14-R17 PolarHBondContact O-N 2.95Å; Y15-R17 VanDerWaalsContact C-N 3.31Å; Y15-R17 PolarHBondContact O-N 3.02Å
18	V	64.3	Low	78.8	Confident	113 Å²	113	98.1 Å²	98.1	69%	0.685	49%	0.486	S	S	*	.	H	α-helix	trans	-73.5	-38.4	-178.5	174.8	0	0	0	0	111.3	I14 Y15	I14-V18 HydrophobicContact CG2-CG2 4.03Å; I14-V18 WeakPolarHBondContact O-CB 3.39Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 2.88Å; Y15-V18 PolarHBondContact O-N 2.95Å
19	C	67.7	Low	79.8	Confident	56 Å²	56	100.7 Å²	100.7	38%	0.378	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	36.7	-176.5	-59.5	0	0	0	0	112.8	Y15 P21	Y15-C19 HydrophobicContact CE1-CB 4.46Å; Y15-C19 HydrophobicContact CE2-CB 4.34Å; Y15-C19 WeakPolarHBondContact CE2-SG 3.34Å; Y15-C19 WeakPolarHBondContact O-CA 3.31Å; Y15-C19 WeakPolarHBondContact O-CB 3.5Å; Y15-C19 PolarHBondContact O-N 2.78Å; C19-P21 WeakPolarHBondContact O-CD 3.37Å
20	R	74.5	Confident	80.8	Confident	190 Å²	190	99.9 Å²	99.9	72%	0.717	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-65.7	126.7	170.2	-75.9	-167.8	172.6	-178.8	-4.4	109.2	R16 K22	R16-R20 WeakPolarHBondContact O-CG 3.48Å; R20-K22 PolarHBondContact O-N 3.4Å
21	P	81.8	Confident	81.6	Confident	44 Å²	44	100.3 Å²	100.3	29%	0.286	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-48.9	133.5	169.8	-31.1	38.5	0	0	0	110.9	C19 N57 L59 V92	C19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-N57 VanDerWaalsContact CB-O 3.3Å; P21-N57 WeakPolarHBondContact CB-O 3.28Å; P21-L59 HydrophobicContact CB-CD1 3.84Å; P21-L59 HydrophobicContact CB-CG 3.72Å; P21-L59 HydrophobicContact CG-CD1 4.31Å; P21-L59 HydrophobicContact CG-CG 4.38Å; P21-V92 HydrophobicContact CB-CG1 4.42Å; P21-V92 HydrophobicContact CG-CG1 4.29Å
22	K	92	Very high	82.7	Confident	170 Å²	170	99.5 Å²	99.5	74%	0.739	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-65.4	148.6	171.4	-66.8	-175.5	-179.7	-179.6	0	108.8	R20 Q58 L59	R20-K22 PolarHBondContact O-N 3.4Å; K22-Q58 CarbonylContact O-C 3.54Å; K22-Q58 WeakPolarHBondContact O-CA 3.42Å; K22-Q58 WeakPolarHBondContact O-CG 3.23Å; K22-L59 PolarHBondContact O-N 2.86Å
23	K	95.6	Very high	83.9	Confident	107 Å²	107	96.7 Å²	96.7	47%	0.465	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-91.7	147.3	172.5	-64.4	180	179.2	-173.4	0	109.7	L26 Q58 L59	K23-L26 HydrophobicContact CB-CD2 4.08Å; K23-Q58 PolarHBondContact O-NE2 3.16Å; K23-L59 CarbonylContact C-O 3.47Å; K23-L59 WeakPolarHBondContact CA-O 3.4Å; K23-L59 HydrophobicContact CG-CB 4.44Å
24	L	96.9	Very high	85.3	Confident	3 Å²	3	90.3 Å²	90.3	2%	0.016	43%	0.434	C	S	.	.	S	Bend	trans	-75.9	-52	171.1	-178.3	66.2	0	0	0	110.5	L26 Y32 I34 L53 H54 Q58 L59 L60 I131	L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-Y32 HydrophobicContact CD1-CD1 3.68Å; L24-Y32 HydrophobicContact CD1-CE1 4.34Å; L24-Y32 HydrophobicContact CD1-CG 3.86Å; L24-Y32 HydrophobicContact CD2-CG 4.48Å; L24-Y32 HydrophobicContact CG-CD1 4.22Å; L24-Y32 HydrophobicContact CG-CD2 4.36Å; L24-Y32 HydrophobicContact CG-CG 4Å; L24-Y32 WeakPolarHBondContact O-CE1 3.13Å; L24-Y32 PolarHBondContact O-OH 3.13Å; L24-I34 HydrophobicContact CD2-CG2 3.89Å; L24-L53 HydrophobicContact CD2-CD2 3.69Å; L24-H54 WeakPolarHBondContact CD1-ND1 3.37Å; L24-Q58 HydrophobicContact CB-CG 4.39Å; L24-L59 PolarHBondContact N-O 3.08Å; L24-L60 HydrophobicContact CD2-CD1 4.3Å; L24-L60 PolarHBondContact N-O 2.99Å; L24-I131 HydrophobicContact CD2-CG2 4.1Å
25	L	95.6	Very high	86.6	Confident	9 Å²	9	90.6 Å²	90.6	5%	0.047	43%	0.432	C	S	.	.			trans	-78.4	76.9	-176.5	-57.7	179.8	0	0	0	111	Y32 L60 L62 V68 G133 P134	L25-Y32 HydrophobicContact CD2-CD2 4.16Å; L25-Y32 HydrophobicContact CD2-CE2 4.23Å; L25-L60 WeakPolarHBondContact CB-O 3.3Å; L25-L60 HydrophobicContact CD1-CD1 3.9Å; L25-L60 HydrophobicContact CD1-CD2 4.49Å; L25-L60 HydrophobicContact CD1-CG 3.86Å; L25-L60 HydrophobicContact CD2-CD1 4.38Å; L25-L60 HydrophobicContact CG-CD1 3.94Å; L25-L60 HydrophobicContact CG-CG 4.26Å; L25-L60 WeakPolarHBondContact CG-O 3.44Å; L25-L60 PolarHBondContact N-O 3.38Å; L25-L62 HydrophobicContact CD1-CB 4.19Å; L25-L62 HydrophobicContact CD1-CD1 4.31Å; L25-V68 HydrophobicContact CD1-CG1 3.63Å; L25-G133 WeakPolarHBondContact CB-O 3.23Å; L25-P134 HydrophobicContact CD1-CB 4.38Å
26	L	90	Very high	87.9	Confident	138 Å²	138	83.4 Å²	83.4	72%	0.723	40%	0.403	S	S	*	.	S	Bend	trans	-90.5	-31.4	177.4	-65.9	174.5	0	0	0	112.6	K23 L24 Y32	K23-L26 HydrophobicContact CB-CD2 4.08Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-L26 PolarHBondContact O-N 2.99Å; L26-Y32 PolarHBondContact N-OH 3.26Å
27	D	92.4	Very high	89.6	Confident	77 Å²	77	79.1 Å²	79.1	41%	0.412	39%	0.394	S	S	.	.			trans	-124.1	120.9	175.5	174.8	5.8	0	0	0	109.1	N29 A30 Y32	D27-N29 PolarHBondContact O-N 3.24Å; D27-N29 VanDerWaalsContact O-N 3.09Å; D27-N29 WeakPolarHBondContact OD1-CB 3.31Å; D27-N29 PolarHBondContact OD1-N 3.46Å; D27-A30 HydrophobicContact CB-CB 3.79Å; D27-A30 PolarHBondContact O-N 3.43Å; D27-A30 VanDerWaalsContact O-N 3.15Å; D27-Y32 PolarHBondContact N-OH 3.33Å
28	A	92.8	Very high	91.4	Very high	43 Å²	43	72.8 Å²	72.8	36%	0.355	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.3	179	0	0	0	0	0	113.7	R132 G133	A28-R132 WeakPolarHBondContact O-CG 3.47Å; A28-G133 VanDerWaalsContact CA-O 3.31Å; A28-G133 WeakPolarHBondContact CA-O 3.37Å
29	N	94.1	Very high	93	Very high	117 Å²	117	70.8 Å²	70.8	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-14.6	-178.6	-60.9	-60.2	0	0	0	113.7	D27	D27-N29 PolarHBondContact O-N 3.24Å; D27-N29 VanDerWaalsContact O-N 3.09Å; D27-N29 WeakPolarHBondContact OD1-CB 3.31Å; D27-N29 PolarHBondContact OD1-N 3.46Å
30	A	96.4	Very high	94.4	Very high	27 Å²	27	74 Å²	74	22%	0.223	36%	0.362	C	S	.	.			trans	-76.6	140	179.7	0	0	0	0	0	111.6	D27 Y32 R132	D27-A30 HydrophobicContact CB-CB 3.79Å; D27-A30 PolarHBondContact O-N 3.43Å; D27-A30 VanDerWaalsContact O-N 3.15Å; A30-Y32 HydrophobicContact CB-CE1 4.44Å; A30-Y32 HydrophobicContact CB-CE2 3.78Å; A30-Y32 WeakPolarHBondContact O-CE2 3.38Å; A30-R132 WeakPolarHBondContact O-CG 3.32Å
31	N	96.2	Very high	95.5	Very high	91 Å²	91	71.8 Å²	71.8	49%	0.487	36%	0.36	S	S	.	.			trans	-94.1	133.9	170.2	-65.6	-64.8	0	0	0	109.4	N130	N31-N130 HydrophobicContact CB-CB 4.5Å
32	Y	97.9	Very high	96	Very high	41 Å²	41	73.2 Å²	73.2	16%	0.161	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.6	175.3	-51.7	-92.4	0	0	0	108.9	L24 L25 L26 D27 A30 N130 I131	L24-Y32 HydrophobicContact CD1-CD1 3.68Å; L24-Y32 HydrophobicContact CD1-CE1 4.34Å; L24-Y32 HydrophobicContact CD1-CG 3.86Å; L24-Y32 HydrophobicContact CD2-CG 4.48Å; L24-Y32 HydrophobicContact CG-CD1 4.22Å; L24-Y32 HydrophobicContact CG-CD2 4.36Å; L24-Y32 HydrophobicContact CG-CG 4Å; L24-Y32 WeakPolarHBondContact O-CE1 3.13Å; L24-Y32 PolarHBondContact O-OH 3.13Å; L25-Y32 HydrophobicContact CD2-CD2 4.16Å; L25-Y32 HydrophobicContact CD2-CE2 4.23Å; L26-Y32 PolarHBondContact N-OH 3.26Å; D27-Y32 PolarHBondContact N-OH 3.33Å; A30-Y32 HydrophobicContact CB-CE1 4.44Å; A30-Y32 HydrophobicContact CB-CE2 3.78Å; A30-Y32 WeakPolarHBondContact O-CE2 3.38Å; Y32-N130 WeakPolarHBondContact O-CA 3.44Å; Y32-I131 PolarHBondContact N-O 2.86Å; Y32-I131 WeakPolarHBondContact O-CG2 3.46Å; Y32-I131 PolarHBondContact O-N 3.09Å
33	N	98.1	Very high	95.9	Very high	70 Å²	70	66.8 Å²	66.8	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131	172.5	-71.5	-18.4	0	0	0	110	H54 E128 I129 N130	N33-H54 PolarHBondContact O-CD2 3.19Å; N33-H54 PolarHBondContact O-NE2 2.62Å; N33-E128 PolarHBondContact ND2-OE2 3.02Å; N33-I129 WeakPolarHBondContact CA-O 3.42Å; N33-N130 VanDerWaalsContact OD1-CG 3.22Å; N33-N130 PolarHBondContact OD1-ND2 3.35Å; N33-N130 PolarHBondContact OD1-OD1 2.83Å
34	I	98.5	Very high	95.7	Very high	1 Å²	1	67 Å²	67	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.1	173.6	57.5	177	0	0	0	109.8	L24 F51 A52 L53 V95 E128 I129 I131	L24-I34 HydrophobicContact CD2-CG2 3.89Å; I34-F51 HydrophobicContact CB-CB 4.13Å; I34-F51 HydrophobicContact CD1-CB 3.59Å; I34-F51 HydrophobicContact CD1-CD1 4.18Å; I34-F51 HydrophobicContact CD1-CD2 4.41Å; I34-F51 HydrophobicContact CD1-CG 3.83Å; I34-F51 HydrophobicContact CG1-CB 3.93Å; I34-F51 HydrophobicContact CG1-CD1 3.96Å; I34-F51 HydrophobicContact CG1-CG 4.09Å; I34-A52 WeakPolarHBondContact CB-O 3.47Å; I34-L53 HydrophobicContact CG2-CD2 4.41Å; I34-V95 HydrophobicContact CD1-CG1 3.98Å; I34-E128 WeakPolarHBondContact O-CA 3.33Å; I34-I129 HydrophobicContact CD1-CG2 4.3Å; I34-I129 HydrophobicContact CG1-CG2 3.81Å; I34-I129 PolarHBondContact N-O 2.87Å; I34-I129 PolarHBondContact O-N 2.95Å; I34-I131 HydrophobicContact CB-CG2 4.46Å; I34-I131 HydrophobicContact CD1-CB 3.8Å; I34-I131 HydrophobicContact CD1-CD1 3.78Å; I34-I131 HydrophobicContact CD1-CG1 4.41Å; I34-I131 HydrophobicContact CD1-CG2 3.72Å; I34-I131 HydrophobicContact CG1-CB 4.28Å; I34-I131 HydrophobicContact CG1-CG2 3.95Å; I34-I131 HydrophobicContact CG2-CG2 3.75Å
35	K	98.5	Very high	95.6	Very high	105 Å²	105	68 Å²	68	46%	0.457	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.6	-173.2	-74	179.8	179.3	-177.3	0	111.6	V37 F51 A52 D127 E128	K35-V37 PolarHBondContact O-N 2.84Å; K35-F51 CarbonylContact O-C 3.55Å; K35-F51 WeakPolarHBondContact O-CA 3.44Å; K35-A52 PolarHBondContact O-N 2.97Å; K35-D127 WeakPolarHBondContact CA-O 3.14Å; K35-E128 HydrophobicContact CD-CG 4.43Å; K35-E128 WeakPolarHBondContact CE-OE1 3.32Å; K35-E128 HydrophobicContact CG-CG 3.55Å; K35-E128 IonicContact NZ-OE1 3.79Å
36	L	98.8	Very high	95.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	117	171.3	-177.1	64.2	0	0	0	109.1	E38 K39 F49 F51 M123 I125 G126 D127	L36-E38 VanDerWaalsContact CD1-O 3.23Å; L36-E38 WeakPolarHBondContact CD1-O 3.35Å; L36-K39 HydrophobicContact CD2-CB 4.41Å; L36-F49 HydrophobicContact CD1-CB 4.01Å; L36-F49 HydrophobicContact CD1-CD1 3.98Å; L36-F49 HydrophobicContact CD2-CD1 4.48Å; L36-F51 HydrophobicContact CB-CD1 4.08Å; L36-F51 HydrophobicContact CB-CE1 3.79Å; L36-F51 HydrophobicContact CD1-CD1 4.41Å; L36-F51 HydrophobicContact CD1-CE1 4.02Å; L36-F51 HydrophobicContact CD1-CE2 4.31Å; L36-F51 HydrophobicContact CD1-CZ 3.97Å; L36-F51 HydrophobicContact CG-CE1 4.49Å; L36-M123 HydrophobicContact CB-CE 4.29Å; L36-M123 HydrophobicContact CD2-CB 3.79Å; L36-I125 HydrophobicContact CD2-CD1 4.31Å; L36-I125 HydrophobicContact CG-CD1 4.06Å; L36-G126 PolarHBondContact O-N 3.26Å; L36-D127 PolarHBondContact N-O 3.03Å
37	V	98.6	Very high	96	Very high	59 Å²	59	61.7 Å²	61.7	36%	0.358	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-20.9	179.4	-67.6	0	0	0	0	112.9	K35 R50 A52	K35-V37 PolarHBondContact O-N 2.84Å; V37-R50 HydrophobicContact CG2-CB 4.34Å; V37-R50 HydrophobicContact CG2-CG 4.17Å; V37-R50 VanDerWaalsContact CG2-O 3.25Å; V37-R50 WeakPolarHBondContact CG2-O 3.45Å; V37-R50 PolarHBondContact N-O 3.42Å; V37-A52 HydrophobicContact CG1-CB 3.55Å; V37-A52 HydrophobicContact CG2-CB 4.34Å
38	E	98.6	Very high	96.2	Very high	67 Å²	67	59.9 Å²	59.9	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	140.5	176.8	-163.6	-179	160.6	0	0	110.6	L36 R50	L36-E38 VanDerWaalsContact CD1-O 3.23Å; L36-E38 WeakPolarHBondContact CD1-O 3.35Å; E38-R50 HydrophobicContact CB-CB 3.86Å; E38-R50 PolarHBondContact N-O 3.4Å; E38-R50 PolarHBondContact O-N 3.28Å; E38-R50 IonicContact OE2-CZ 2.77Å; E38-R50 IonicContact OE2-NE 3.76Å; E38-R50 PolarHBondContact OE2-NE 2.88Å; E38-R50 IonicContact OE2-NH2 3.84Å; E38-R50 PolarHBondContact OE2-NH2 3.39Å
39	K	98.5	Very high	96.5	Very high	71 Å²	71	57.8 Å²	57.8	31%	0.309	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.1	173	-175.3	-173.8	176.4	-162.6	0	108.5	L36 M48 F49 D121 I125	L36-K39 HydrophobicContact CD2-CB 4.41Å; K39-M48 WeakPolarHBondContact CA-O 3.47Å; K39-F49 HydrophobicContact CD-CD1 4.4Å; K39-F49 HydrophobicContact CD-CE1 3.89Å; K39-F49 HydrophobicContact CG-CD1 4.04Å; K39-F49 HydrophobicContact CG-CE1 3.9Å; K39-D121 WeakPolarHBondContact CE-OD1 3.38Å; K39-D121 PolarHBondContact NZ-O 3.4Å; K39-D121 IonicContact NZ-OD1 2.65Å; K39-D121 PolarHBondContact NZ-OD1 2.84Å; K39-I125 HydrophobicContact CB-CD1 4.18Å
40	K	97.6	Very high	96.7	Very high	124 Å²	124	56.1 Å²	56.1	54%	0.539	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.1	-179.6	-179.5	179.1	174.7	-173.7	0	110.6	R47 M48	K40-R47 CarbonylContact O-C 3.52Å; K40-R47 WeakPolarHBondContact O-CA 3.45Å; K40-M48 HydrophobicContact CB-CB 4.28Å; K40-M48 HydrophobicContact CB-CE 4.32Å; K40-M48 PolarHBondContact N-O 3.13Å; K40-M48 PolarHBondContact O-N 3.3Å
41	E	96.1	Very high	96.9	Very high	143 Å²	143	54.9 Å²	54.9	67%	0.668	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.3	168.7	-63.9	-169.2	161.3	0	0	109.6
42	V	92.7	Very high	97	Very high	75 Å²	75	52 Å²	52	46%	0.455	25%	0.254	S	S	.	.			trans	-104	-42.2	177.9	178.1	0	0	0	0	109.8	T46 M48	V42-T46 HydrophobicContact CB-CG2 4.04Å; V42-T46 HydrophobicContact CG1-CG2 4.27Å; V42-T46 PolarHBondContact N-O 2.9Å; V42-M48 HydrophobicContact CG2-CB 3.86Å
43	S	91.1	Very high	97	Very high	34 Å²	34	50.5 Å²	50.5	24%	0.238	25%	0.249	C	C	.	.	S	Bend	trans	-148.8	-177.1	174	80.1	0	0	0	0	110.6	D45 T46	S43-D45 PolarHBondContact O-N 3.47Å; S43-D45 VanDerWaalsContact O-N 3.13Å; S43-D45 PolarHBondContact OG-N 3.25Å; S43-D45 PolarHBondContact OG-OD1 2.83Å; S43-T46 PolarHBondContact N-O 2.8Å; S43-T46 VanDerWaalsContact N-O 3.09Å; S43-T46 PolarHBondContact O-N 3.46Å; S43-T46 VanDerWaalsContact OG-CB 3.28Å; S43-T46 WeakPolarHBondContact OG-CB 3.32Å; S43-T46 PolarHBondContact OG-N 2.77Å; S43-T46 PolarHBondContact OG-OG1 2.99Å
44	H	91.4	Very high	97	Very high	113 Å²	113	52.5 Å²	52.5	52%	0.523	26%	0.255	S	S	.	.	S	Bend	trans	-51.4	-36.3	177.2	70.9	-79.8	0	0	0	113.5	R47	H44-R47 PolarHBondContact O-NH1 2.87Å; H44-R47 VanDerWaalsContact O-NH1 3.09Å
45	D	94	Very high	96.8	Very high	23 Å²	23	54.8 Å²	54.8	12%	0.123	27%	0.272	C	S	.	.	S	Bend	trans	-118.3	-6.9	179.3	69	14.5	0	0	0	114.4	S43 R47 K100 V101	S43-D45 PolarHBondContact O-N 3.47Å; S43-D45 VanDerWaalsContact O-N 3.13Å; S43-D45 PolarHBondContact OG-N 3.25Å; S43-D45 PolarHBondContact OG-OD1 2.83Å; D45-R47 PolarHBondContact O-NH1 2.82Å; D45-K100 WeakPolarHBondContact OD2-CE 3.4Å; D45-K100 IonicContact OD2-NZ 2.71Å; D45-K100 PolarHBondContact OD2-NZ 3.05Å; D45-V101 WeakPolarHBondContact O-CA 3.25Å; D45-V101 WeakPolarHBondContact O-CB 3.46Å; D45-V101 PolarHBondContact O-N 3.09Å
46	T	95.6	Very high	96.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.7	-176.7	-60.3	0	0	0	0	113.5	V42 S43 V98 L197	V42-T46 HydrophobicContact CB-CG2 4.04Å; V42-T46 HydrophobicContact CG1-CG2 4.27Å; V42-T46 PolarHBondContact N-O 2.9Å; S43-T46 PolarHBondContact N-O 2.8Å; S43-T46 VanDerWaalsContact N-O 3.09Å; S43-T46 PolarHBondContact O-N 3.46Å; S43-T46 VanDerWaalsContact OG-CB 3.28Å; S43-T46 WeakPolarHBondContact OG-CB 3.32Å; S43-T46 PolarHBondContact OG-N 2.77Å; S43-T46 PolarHBondContact OG-OG1 2.99Å; T46-V98 HydrophobicContact CG2-CG1 3.49Å; T46-V98 VanDerWaalsContact CG2-CG1 3.49Å; T46-L197 HydrophobicContact CG2-CD2 4.12Å; T46-L197 HydrophobicContact CG2-CG 4.07Å
47	R	97.6	Very high	96.5	Very high	13 Å²	13	59.7 Å²	59.7	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.9	178.5	-75.4	62.2	163.6	157.2	34.3	110.3	K40 H44 D45 F49 V98 I99 V101 D121	K40-R47 CarbonylContact O-C 3.52Å; K40-R47 WeakPolarHBondContact O-CA 3.45Å; H44-R47 PolarHBondContact O-NH1 2.87Å; H44-R47 VanDerWaalsContact O-NH1 3.09Å; D45-R47 PolarHBondContact O-NH1 2.82Å; R47-F49 HydrophobicContact CB-CD2 4.14Å; R47-F49 HydrophobicContact CB-CE1 4.31Å; R47-F49 HydrophobicContact CB-CE2 3.38Å; R47-F49 HydrophobicContact CB-CZ 3.48Å; R47-F49 VanDerWaalsContact CB-CZ 3.48Å; R47-F49 HydrophobicContact CG-CE2 4.41Å; R47-F49 HydrophobicContact CG-CZ 4.06Å; R47-V98 WeakPolarHBondContact O-CA 3.49Å; R47-I99 PolarHBondContact N-O 3.34Å; R47-I99 PolarHBondContact O-N 3.16Å; R47-V101 HydrophobicContact CG-CG2 4.36Å; R47-D121 IonicContact CZ-OD1 3.68Å; R47-D121 IonicContact CZ-OD2 3.51Å; R47-D121 IonicContact NE-OD1 2.69Å; R47-D121 PolarHBondContact NE-OD1 3.09Å; R47-D121 IonicContact NE-OD2 3.66Å
48	M	98.1	Very high	96.4	Very high	39 Å²	39	57.9 Å²	57.9	19%	0.192	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.6	165	-172.6	-171.4	89.7	0	0	109.1	K39 K40 V42 T96 F97 V98	K39-M48 WeakPolarHBondContact CA-O 3.47Å; K40-M48 HydrophobicContact CB-CB 4.28Å; K40-M48 HydrophobicContact CB-CE 4.32Å; K40-M48 PolarHBondContact N-O 3.13Å; K40-M48 PolarHBondContact O-N 3.3Å; V42-M48 HydrophobicContact CG2-CB 3.86Å; M48-T96 HydrophobicContact CE-CG2 4.45Å; M48-T96 HydrophobicContact CG-CG2 3.48Å; M48-T96 VanDerWaalsContact CG-CG2 3.48Å; M48-T96 HydrophobicContact SD-CG2 3.86Å; M48-F97 CarbonylContact C-O 3.57Å; M48-F97 WeakPolarHBondContact CA-O 3.25Å; M48-V98 HydrophobicContact CB-CG2 4.19Å; M48-V98 HydrophobicContact CG-CG2 4.05Å
49	F	98.7	Very high	96.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.2	177.6	-58.5	-88.1	0	0	0	109.1	L36 K39 R47 F51 T96 F97 I99 L120	L36-F49 HydrophobicContact CD1-CB 4.01Å; L36-F49 HydrophobicContact CD1-CD1 3.98Å; L36-F49 HydrophobicContact CD2-CD1 4.48Å; K39-F49 HydrophobicContact CD-CD1 4.4Å; K39-F49 HydrophobicContact CD-CE1 3.89Å; K39-F49 HydrophobicContact CG-CD1 4.04Å; K39-F49 HydrophobicContact CG-CE1 3.9Å; R47-F49 HydrophobicContact CB-CD2 4.14Å; R47-F49 HydrophobicContact CB-CE1 4.31Å; R47-F49 HydrophobicContact CB-CE2 3.38Å; R47-F49 HydrophobicContact CB-CZ 3.48Å; R47-F49 VanDerWaalsContact CB-CZ 3.48Å; R47-F49 HydrophobicContact CG-CE2 4.41Å; R47-F49 HydrophobicContact CG-CZ 4.06Å; F49-F51 HydrophobicContact CB-CD2 4.32Å; F49-F51 HydrophobicContact CB-CE2 3.59Å; F49-F51 HydrophobicContact CB-CZ 4.2Å; F49-T96 CarbonylContact O-C 3.24Å; F49-T96 WeakPolarHBondContact O-CA 3.4Å; F49-F97 PolarHBondContact N-O 3.14Å; F49-F97 PolarHBondContact O-N 2.77Å; F49-I99 HydrophobicContact CD2-CB 4.19Å; F49-I99 HydrophobicContact CD2-CD1 4.04Å; F49-I99 HydrophobicContact CD2-CG1 4.37Å; F49-I99 HydrophobicContact CE2-CB 3.97Å; F49-I99 HydrophobicContact CE2-CD1 4.39Å; F49-L120 HydrophobicContact CE1-CB 4.07Å; F49-L120 WeakPolarHBondContact CE1-O 3.23Å; F49-L120 HydrophobicContact CE2-CB 4.29Å; F49-L120 HydrophobicContact CZ-CB 3.85Å
50	R	98.7	Very high	96.3	Very high	82 Å²	82	53.5 Å²	53.5	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.3	173.4	-168.6	163.2	64.1	101.4	-1.5	109.6	V37 E38 T96	V37-R50 HydrophobicContact CG2-CB 4.34Å; V37-R50 HydrophobicContact CG2-CG 4.17Å; V37-R50 VanDerWaalsContact CG2-O 3.25Å; V37-R50 WeakPolarHBondContact CG2-O 3.45Å; V37-R50 PolarHBondContact N-O 3.42Å; E38-R50 HydrophobicContact CB-CB 3.86Å; E38-R50 PolarHBondContact N-O 3.4Å; E38-R50 PolarHBondContact O-N 3.28Å; E38-R50 IonicContact OE2-CZ 2.77Å; E38-R50 IonicContact OE2-NE 3.76Å; E38-R50 PolarHBondContact OE2-NE 2.88Å; E38-R50 IonicContact OE2-NH2 3.84Å; E38-R50 PolarHBondContact OE2-NH2 3.39Å; R50-T96 WeakPolarHBondContact CG-OG1 3.16Å
51	F	98.8	Very high	96.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.3	178.4	-65	-92.8	0	0	0	110.4	I34 K35 L36 F49 S94 V95 F97 L120 M123 I129	I34-F51 HydrophobicContact CB-CB 4.13Å; I34-F51 HydrophobicContact CD1-CB 3.59Å; I34-F51 HydrophobicContact CD1-CD1 4.18Å; I34-F51 HydrophobicContact CD1-CD2 4.41Å; I34-F51 HydrophobicContact CD1-CG 3.83Å; I34-F51 HydrophobicContact CG1-CB 3.93Å; I34-F51 HydrophobicContact CG1-CD1 3.96Å; I34-F51 HydrophobicContact CG1-CG 4.09Å; K35-F51 CarbonylContact O-C 3.55Å; K35-F51 WeakPolarHBondContact O-CA 3.44Å; L36-F51 HydrophobicContact CB-CD1 4.08Å; L36-F51 HydrophobicContact CB-CE1 3.79Å; L36-F51 HydrophobicContact CD1-CD1 4.41Å; L36-F51 HydrophobicContact CD1-CE1 4.02Å; L36-F51 HydrophobicContact CD1-CE2 4.31Å; L36-F51 HydrophobicContact CD1-CZ 3.97Å; L36-F51 HydrophobicContact CG-CE1 4.49Å; F49-F51 HydrophobicContact CB-CD2 4.32Å; F49-F51 HydrophobicContact CB-CE2 3.59Å; F49-F51 HydrophobicContact CB-CZ 4.2Å; F51-S94 CarbonylContact O-C 3.46Å; F51-S94 WeakPolarHBondContact O-CA 3.46Å; F51-S94 VanDerWaalsContact O-CB 3.29Å; F51-S94 WeakPolarHBondContact O-CB 3.37Å; F51-V95 HydrophobicContact CB-CG1 4.01Å; F51-V95 PolarHBondContact N-O 2.81Å; F51-V95 PolarHBondContact O-N 2.9Å; F51-F97 AromaticContact CD2-CD2 3.82Å; F51-F97 HydrophobicContact CD2-CD2 3.82Å; F51-F97 AromaticContact CD2-CE2 3.96Å; F51-F97 HydrophobicContact CD2-CE2 3.96Å; F51-F97 AromaticContact CE2-CD2 3.95Å; F51-F97 HydrophobicContact CE2-CD2 3.95Å; F51-F97 HydrophobicContact CE2-CE2 4.32Å; F51-L120 HydrophobicContact CZ-CD2 4.04Å; F51-M123 HydrophobicContact CE1-CE 4Å; F51-I129 HydrophobicContact CD1-CG2 3.81Å; F51-I129 HydrophobicContact CE1-CB 4.3Å; F51-I129 HydrophobicContact CE1-CG2 3.37Å; F51-I129 HydrophobicContact CZ-CG2 3.83Å
52	A	98.6	Very high	96.3	Very high	30 Å²	30	42 Å²	42	25%	0.248	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.7	171.2	0	0	0	0	0	110.8	I34 K35 V37 G93	I34-A52 WeakPolarHBondContact CB-O 3.47Å; K35-A52 PolarHBondContact O-N 2.97Å; V37-A52 HydrophobicContact CG1-CB 3.55Å; V37-A52 HydrophobicContact CG2-CB 4.34Å; A52-G93 WeakPolarHBondContact CA-O 3.17Å
53	L	98.4	Very high	96.4	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	22%	0.222	C	C	.	.			trans	-75.8	177	167.3	-53.8	178	0	0	0	109.8	L24 I34 S55 Q58 L60 G93 V95	L24-L53 HydrophobicContact CD2-CD2 3.69Å; I34-L53 HydrophobicContact CG2-CD2 4.41Å; L53-S55 PolarHBondContact O-N 3.24Å; L53-Q58 HydrophobicContact CB-CB 4.33Å; L53-Q58 HydrophobicContact CD1-CB 4.44Å; L53-Q58 VanDerWaalsContact CD1-O 3.24Å; L53-Q58 WeakPolarHBondContact CD1-O 3.32Å; L53-L60 HydrophobicContact CD1-CB 4.47Å; L53-L60 HydrophobicContact CD2-CD1 4.1Å; L53-G93 PolarHBondContact N-O 2.97Å; L53-V95 HydrophobicContact CD2-CB 4.33Å; L53-V95 HydrophobicContact CD2-CG1 3.96Å
54	H	97.2	Very high	96.7	Very high	111 Å²	111	39.8 Å²	39.8	51%	0.514	22%	0.216	S	C	.	.	S	Bend	trans	-70.6	-18.5	-174.3	-61.2	168.2	0	0	0	113.8	L24 N33	L24-H54 WeakPolarHBondContact CD1-ND1 3.37Å; N33-H54 PolarHBondContact O-CD2 3.19Å; N33-H54 PolarHBondContact O-NE2 2.62Å
55	S	95.9	Very high	96.9	Very high	50 Å²	50	34.5 Å²	34.5	35%	0.35	19%	0.192	S	C	.	.	S	Bend	trans	-147.5	151.4	172.1	82.2	0	0	0	0	111.4	L53 N57 Q58 G93	L53-S55 PolarHBondContact O-N 3.24Å; S55-N57 PolarHBondContact O-N 3.2Å; S55-N57 VanDerWaalsContact O-N 3.13Å; S55-Q58 WeakPolarHBondContact O-CB 3.33Å; S55-Q58 PolarHBondContact O-N 3.32Å; S55-Q58 VanDerWaalsContact O-N 3.09Å; S55-Q58 WeakPolarHBondContact OG-CB 3.38Å; S55-Q58 PolarHBondContact OG-N 3.19Å; S55-G93 WeakPolarHBondContact O-CA 3.36Å
56	P	95.1	Very high	97.1	Very high	114 Å²	114	34.6 Å²	34.6	74%	0.74	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.1	-176.8	26.4	-35.8	0	0	0	114.2	V92 G93	P56-V92 CarbonylContact O-C 3.56Å; P56-G93 WeakPolarHBondContact O-CA 3.48Å; P56-G93 PolarHBondContact O-N 2.81Å
57	N	95	Very high	97.2	Very high	94 Å²	94	35.6 Å²	35.6	50%	0.503	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	24.8	177.3	-164.6	31.3	0	0	0	112.1	P21 S55	P21-N57 VanDerWaalsContact CB-O 3.3Å; P21-N57 WeakPolarHBondContact CB-O 3.28Å; S55-N57 PolarHBondContact O-N 3.2Å; S55-N57 VanDerWaalsContact O-N 3.13Å
58	Q	96.4	Very high	97.2	Very high	20 Å²	20	35 Å²	35	9%	0.093	19%	0.193	C	C	.	.			trans	-96.7	138.7	174.8	-161	175.1	24.5	0	0	109.5	K22 K23 L24 L53 S55 V92 G93	K22-Q58 CarbonylContact O-C 3.54Å; K22-Q58 WeakPolarHBondContact O-CA 3.42Å; K22-Q58 WeakPolarHBondContact O-CG 3.23Å; K23-Q58 PolarHBondContact O-NE2 3.16Å; L24-Q58 HydrophobicContact CB-CG 4.39Å; L53-Q58 HydrophobicContact CB-CB 4.33Å; L53-Q58 HydrophobicContact CD1-CB 4.44Å; L53-Q58 VanDerWaalsContact CD1-O 3.24Å; L53-Q58 WeakPolarHBondContact CD1-O 3.32Å; S55-Q58 WeakPolarHBondContact O-CB 3.33Å; S55-Q58 PolarHBondContact O-N 3.32Å; S55-Q58 VanDerWaalsContact O-N 3.09Å; S55-Q58 WeakPolarHBondContact OG-CB 3.38Å; S55-Q58 PolarHBondContact OG-N 3.19Å; Q58-V92 CarbonylContact O-C 3.5Å; Q58-V92 VanDerWaalsContact O-CA 3.28Å; Q58-V92 WeakPolarHBondContact O-CA 3.3Å; Q58-G93 PolarHBondContact O-N 3.47Å
59	L	97	Very high	97.3	Very high	31 Å²	31	36 Å²	36	16%	0.162	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-86	151.2	166.4	-71.3	169.1	0	0	0	109.7	P21 K22 K23 L24 G61 D90 V92	P21-L59 HydrophobicContact CB-CD1 3.84Å; P21-L59 HydrophobicContact CB-CG 3.72Å; P21-L59 HydrophobicContact CG-CD1 4.31Å; P21-L59 HydrophobicContact CG-CG 4.38Å; K22-L59 PolarHBondContact O-N 2.86Å; K23-L59 CarbonylContact C-O 3.47Å; K23-L59 WeakPolarHBondContact CA-O 3.4Å; K23-L59 HydrophobicContact CG-CB 4.44Å; L24-L59 PolarHBondContact N-O 3.08Å; L59-G61 VanDerWaalsContact C-N 3.26Å; L59-G61 PolarHBondContact O-N 3.18Å; L59-D90 VanDerWaalsContact CD2-C 3.43Å; L59-D90 HydrophobicContact CD2-CB 4.49Å; L59-D90 VanDerWaalsContact CD2-O 3.31Å; L59-D90 WeakPolarHBondContact CD2-O 3.3Å; L59-V92 HydrophobicContact CD2-CG1 3.74Å; L59-V92 HydrophobicContact CG-CG1 4.18Å
60	L	97.9	Very high	97.3	Very high	15 Å²	15	36 Å²	36	8%	0.079	20%	0.196	C	C	.	.			trans	-58.8	-45.3	166.2	-178.9	65.1	0	0	0	110.1	L24 L25 L53 L62 P85 V95 I131	L24-L60 HydrophobicContact CD2-CD1 4.3Å; L24-L60 PolarHBondContact N-O 2.99Å; L25-L60 WeakPolarHBondContact CB-O 3.3Å; L25-L60 HydrophobicContact CD1-CD1 3.9Å; L25-L60 HydrophobicContact CD1-CD2 4.49Å; L25-L60 HydrophobicContact CD1-CG 3.86Å; L25-L60 HydrophobicContact CD2-CD1 4.38Å; L25-L60 HydrophobicContact CG-CD1 3.94Å; L25-L60 HydrophobicContact CG-CG 4.26Å; L25-L60 WeakPolarHBondContact CG-O 3.44Å; L25-L60 PolarHBondContact N-O 3.38Å; L53-L60 HydrophobicContact CD1-CB 4.47Å; L53-L60 HydrophobicContact CD2-CD1 4.1Å; L60-L62 HydrophobicContact CD2-CB 3.73Å; L60-L62 HydrophobicContact CD2-CD2 4.04Å; L60-L62 HydrophobicContact CG-CB 4.09Å; L60-P85 HydrophobicContact CD2-CG 3.77Å; L60-V95 HydrophobicContact CD2-CB 4.32Å; L60-V95 HydrophobicContact CD2-CG2 3.7Å; L60-I131 HydrophobicContact CD1-CD1 3.86Å
61	G	96.2	Very high	97.2	Very high	12 Å²	12	32.7 Å²	32.7	12%	0.124	19%	0.185	C	C	.	.			trans	82.9	20.8	179.7	0	0	0	0	0	114.5	L59 P63	L59-G61 VanDerWaalsContact C-N 3.26Å; L59-G61 PolarHBondContact O-N 3.18Å; G61-P63 WeakPolarHBondContact O-CD 3.21Å
62	L	97.5	Very high	97.2	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.079	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-77.8	121.7	176.7	-177.5	62.7	0	0	0	110.9	L25 L60 Q66 V68 P85 P134	L25-L62 HydrophobicContact CD1-CB 4.19Å; L25-L62 HydrophobicContact CD1-CD1 4.31Å; L60-L62 HydrophobicContact CD2-CB 3.73Å; L60-L62 HydrophobicContact CD2-CD2 4.04Å; L60-L62 HydrophobicContact CG-CB 4.09Å; L62-Q66 HydrophobicContact CD1-CB 3.78Å; L62-Q66 WeakPolarHBondContact CD2-O 3.39Å; L62-V68 HydrophobicContact CD1-CG1 4.08Å; L62-V68 HydrophobicContact CD2-CG1 4.25Å; L62-P85 VanDerWaalsContact CD2-CD 3.43Å; L62-P85 HydrophobicContact CD2-CG 3.66Å; L62-P134 HydrophobicContact CD1-CB 3.47Å; L62-P134 VanDerWaalsContact CD1-CB 3.47Å
63	P	96	Very high	97.1	Very high	42 Å²	42	39.4 Å²	39.4	27%	0.273	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-60.9	145.4	170.1	-23.1	35.7	0	0	0	112.1	G61 G65 Q66 P134 V139	G61-P63 WeakPolarHBondContact O-CD 3.21Å; P63-G65 PolarHBondContact O-N 3.49Å; P63-Q66 HydrophobicContact CB-CG 4.32Å; P63-Q66 WeakPolarHBondContact O-CB 3.04Å; P63-Q66 PolarHBondContact O-N 2.97Å; P63-Q66 VanDerWaalsContact O-N 3.15Å; P63-P134 VanDerWaalsContact CD-CB 3.46Å; P63-P134 HydrophobicContact CG-CB 4.38Å; P63-P134 HydrophobicContact CG-CG 4.28Å; P63-V139 HydrophobicContact CB-CG1 3.92Å; P63-V139 HydrophobicContact CB-CG2 4.13Å
64	I	96.9	Very high	97	Very high	20 Å²	20	39.3 Å²	39.3	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	128.7	-179.9	-56.2	-59.4	0	0	0	109.9	S89 V139 Y140 Q169 V170 A173	I64-S89 VanDerWaalsContact CD1-CB 3.43Å; I64-V139 CarbonylContact O-C 3.54Å; I64-V139 VanDerWaalsContact O-CA 3.27Å; I64-V139 WeakPolarHBondContact O-CA 3.27Å; I64-Y140 HydrophobicContact CG2-CD1 4.34Å; I64-Y140 HydrophobicContact CG2-CG 4.49Å; I64-Y140 PolarHBondContact O-N 3.18Å; I64-Q169 HydrophobicContact CD1-CG 4.4Å; I64-V170 HydrophobicContact CG2-CB 4.45Å; I64-V170 HydrophobicContact CG2-CG2 4.06Å; I64-A173 HydrophobicContact CB-CB 4.37Å; I64-A173 HydrophobicContact CD1-CB 3.94Å; I64-A173 HydrophobicContact CG1-CB 3.83Å; I64-A173 HydrophobicContact CG2-CB 3.69Å
65	G	95.9	Very high	96.8	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-3.1	-174.9	0	0	0	0	0	113.9	P63 L138 F282	P63-G65 PolarHBondContact O-N 3.49Å; G65-L138 CarbonylContact C-O 3.48Å; G65-L138 VanDerWaalsContact C-O 3.27Å; G65-F282 WeakPolarHBondContact O-CE1 3.38Å
66	Q	97	Very high	96.7	Very high	25 Å²	25	41.7 Å²	41.7	12%	0.117	24%	0.236	C	C	.	.			trans	-105.3	164.1	173.6	-66.2	-168.3	-15.6	0	0	111.3	L62 P63 P134 S135 G136 L138 V139 Q169	L62-Q66 HydrophobicContact CD1-CB 3.78Å; L62-Q66 WeakPolarHBondContact CD2-O 3.39Å; P63-Q66 HydrophobicContact CB-CG 4.32Å; P63-Q66 WeakPolarHBondContact O-CB 3.04Å; P63-Q66 PolarHBondContact O-N 2.97Å; P63-Q66 VanDerWaalsContact O-N 3.15Å; Q66-P134 HydrophobicContact CB-CB 4.46Å; Q66-S135 CarbonylContact C-O 3.46Å; Q66-S135 WeakPolarHBondContact CA-O 3.35Å; Q66-S135 VanDerWaalsContact CB-O 3.25Å; Q66-S135 WeakPolarHBondContact CB-O 3.43Å; Q66-G136 PolarHBondContact NE2-O 3.24Å; Q66-L138 WeakPolarHBondContact CG-O 3.39Å; Q66-V139 HydrophobicContact CG-CG2 4.22Å; Q66-Q169 PolarHBondContact O-NE2 2.92Å; Q66-Q169 PolarHBondContact O-OE1 3.14Å
67	H	98.2	Very high	96.8	Very high	21 Å²	21	41.7 Å²	41.7	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	173.6	179	60.1	-95.6	0	0	0	110.9	Y69 P82 Y83 S135	H67-Y69 AromaticContact NE2-CE2 3.99Å; H67-Y69 AromaticContact NE2-CZ 3.61Å; H67-Y69 PolarHBondContact NE2-OH 2.78Å; H67-P82 VanDerWaalsContact CD2-CB 3.48Å; H67-P82 WeakPolarHBondContact CD2-CB 3.33Å; H67-Y83 WeakPolarHBondContact CB-O 3.26Å; H67-S135 PolarHBondContact CE1-O 3.23Å; H67-S135 PolarHBondContact N-O 3.09Å; H67-S135 PolarHBondContact ND1-O 3.47Å; H67-S135 PolarHBondContact NE2-OG 2.95Å; H67-S135 PolarHBondContact O-N 2.91Å
68	V	98.6	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	158.4	171.5	-65.1	0	0	0	0	110	L25 L62 P82 Y83 F97 I131 R132	L25-V68 HydrophobicContact CD1-CG1 3.63Å; L62-V68 HydrophobicContact CD1-CG1 4.08Å; L62-V68 HydrophobicContact CD2-CG1 4.25Å; V68-P82 CarbonylContact O-C 3.58Å; V68-P82 VanDerWaalsContact O-CA 3.3Å; V68-P82 WeakPolarHBondContact O-CA 3.26Å; V68-Y83 VanDerWaalsContact CG2-O 3.32Å; V68-Y83 WeakPolarHBondContact CG2-O 3.39Å; V68-Y83 PolarHBondContact N-O 3.32Å; V68-Y83 PolarHBondContact O-N 2.79Å; V68-F97 HydrophobicContact CG2-CE1 3.74Å; V68-F97 HydrophobicContact CG2-CZ 3.74Å; V68-I131 HydrophobicContact CB-CD1 4.03Å; V68-I131 HydrophobicContact CB-CG1 3.8Å; V68-I131 HydrophobicContact CG1-CD1 4.04Å; V68-I131 HydrophobicContact CG1-CG1 4.09Å; V68-I131 HydrophobicContact CG2-CD1 3.78Å; V68-I131 HydrophobicContact CG2-CG1 3.96Å; V68-R132 CarbonylContact C-O 3.47Å; V68-R132 WeakPolarHBondContact CA-O 3.35Å; V68-R132 WeakPolarHBondContact CB-O 3.36Å
69	Y	98.6	Very high	97	Very high	62 Å²	62	42.8 Å²	42.8	24%	0.243	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.8	166.7	-67.9	-77.2	0	0	0	109.5	H67 V80 R81 P82 I131 R132 S135	H67-Y69 AromaticContact NE2-CE2 3.99Å; H67-Y69 AromaticContact NE2-CZ 3.61Å; H67-Y69 PolarHBondContact NE2-OH 2.78Å; Y69-V80 HydrophobicContact CD1-CG1 3.87Å; Y69-V80 HydrophobicContact CG-CG1 4.09Å; Y69-R81 WeakPolarHBondContact CA-O 3.38Å; Y69-P82 HydrophobicContact CD1-CB 4.14Å; Y69-P82 HydrophobicContact CE1-CB 3.88Å; Y69-P82 HydrophobicContact CE1-CG 4.43Å; Y69-I131 CarbonylContact O-C 3.56Å; Y69-I131 WeakPolarHBondContact O-CA 3.47Å; Y69-R132 PolarHBondContact N-O 3.08Å; Y69-R132 PolarHBondContact O-N 2.83Å; Y69-S135 WeakPolarHBondContact CE2-OG 3.25Å
70	L	98.7	Very high	97.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.9	163.3	-60.5	-177.9	0	0	0	108.9	V80 R81 Y83 F97 M116 L120 I129 N130 I131	L70-V80 WeakPolarHBondContact O-CA 3.5Å; L70-R81 PolarHBondContact N-O 3.35Å; L70-R81 PolarHBondContact O-N 3.42Å; L70-Y83 HydrophobicContact CB-CD2 3.72Å; L70-Y83 HydrophobicContact CB-CE2 3.87Å; L70-Y83 HydrophobicContact CD1-CD2 3.53Å; L70-Y83 HydrophobicContact CD1-CE2 3.93Å; L70-Y83 HydrophobicContact CD1-CG 4.03Å; L70-Y83 HydrophobicContact CG-CD2 3.55Å; L70-Y83 HydrophobicContact CG-CE2 4.14Å; L70-Y83 HydrophobicContact CG-CG 4.32Å; L70-F97 HydrophobicContact CD1-CE2 4.48Å; L70-F97 HydrophobicContact CD2-CZ 4.35Å; L70-M116 WeakPolarHBondContact O-CE 3.35Å; L70-L120 HydrophobicContact CD1-CD2 4.44Å; L70-I129 HydrophobicContact CB-CD1 3.86Å; L70-I129 HydrophobicContact CB-CG1 4.4Å; L70-I129 HydrophobicContact CD1-CD1 4.24Å; L70-I129 HydrophobicContact CD2-CG2 4.31Å; L70-I129 HydrophobicContact CG-CD1 4.46Å; L70-N130 CarbonylContact C-O 3.57Å; L70-N130 VanDerWaalsContact CA-O 3.31Å; L70-N130 WeakPolarHBondContact CA-O 3.41Å; L70-I131 HydrophobicContact CD2-CB 3.98Å; L70-I131 HydrophobicContact CD2-CD1 4.28Å; L70-I131 HydrophobicContact CD2-CG1 4.05Å
71	S	98.4	Very high	97.1	Very high	11 Å²	11	48.6 Å²	48.6	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.4	177.6	68.9	0	0	0	0	113.6	V79 I129 N130	S71-V79 VanDerWaalsContact CA-O 3.23Å; S71-V79 WeakPolarHBondContact CA-O 3.22Å; S71-I129 WeakPolarHBondContact O-CG1 3.42Å; S71-N130 PolarHBondContact N-O 3.42Å; S71-N130 WeakPolarHBondContact O-CB 3.32Å; S71-N130 PolarHBondContact O-N 3.33Å; S71-N130 WeakPolarHBondContact OG-CB 3.29Å
72	A	98	Very high	97.2	Very high	12 Å²	12	51.3 Å²	51.3	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157	-179.3	0	0	0	0	0	110.7	V79 M116 H119	A72-V79 PolarHBondContact N-O 2.84Å; A72-V79 PolarHBondContact O-N 2.83Å; A72-M116 HydrophobicContact CB-CE 4.24Å; A72-M116 HydrophobicContact CB-SD 4.4Å; A72-H119 VanDerWaalsContact CB-NE2 3.31Å; A72-H119 WeakPolarHBondContact CB-NE2 3.14Å
73	K	97.3	Very high	97.2	Very high	160 Å²	160	52 Å²	52	70%	0.696	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	108.6	171.5	-168.3	170.9	-179.1	173.7	0	109.1	G76 Q77	K73-G76 WeakPolarHBondContact CE-O 3.39Å; K73-Q77 CarbonylContact C-O 3.52Å; K73-Q77 WeakPolarHBondContact CA-O 3.47Å
74	V	95.6	Very high	97.3	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.4	178.7	-174.2	0	0	0	0	108.3	G76 Q77 V79 H119	V74-G76 VanDerWaalsContact C-N 3.25Å; V74-G76 PolarHBondContact O-N 3.35Å; V74-Q77 PolarHBondContact N-O 3.45Å; V74-Q77 PolarHBondContact O-N 3.44Å; V74-V79 HydrophobicContact CB-CG2 3.81Å; V74-V79 HydrophobicContact CG2-CB 4.17Å; V74-V79 HydrophobicContact CG2-CG2 3.89Å; V74-H119 HydrophobicContact CG2-CB 3.75Å
75	N	92.7	Very high	97.4	Very high	156 Å²	156	49.9 Å²	49.9	83%	0.834	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	44.4	-177.8	-57.8	-16.6	0	0	0	112.8	Q77	N75-Q77 PolarHBondContact O-N 3.13Å
76	G	94.3	Very high	97.5	Very high	54 Å²	54	50.4 Å²	50.4	56%	0.557	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-15.2	-179.5	0	0	0	0	0	115.4	K73 V74	K73-G76 WeakPolarHBondContact CE-O 3.39Å; V74-G76 VanDerWaalsContact C-N 3.25Å; V74-G76 PolarHBondContact O-N 3.35Å
77	Q	96.5	Very high	97.5	Very high	114 Å²	114	49.9 Å²	49.9	53%	0.533	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138	-176.8	-63.6	-178.6	-16.7	0	0	111.6	K73 V74 N75 V79	K73-Q77 CarbonylContact C-O 3.52Å; K73-Q77 WeakPolarHBondContact CA-O 3.47Å; V74-Q77 PolarHBondContact N-O 3.45Å; V74-Q77 PolarHBondContact O-N 3.44Å; N75-Q77 PolarHBondContact O-N 3.13Å; Q77-V79 PolarHBondContact O-N 2.9Å
78	L	97.7	Very high	97.3	Very high	131 Å²	131	52.1 Å²	52.1	69%	0.686	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	119	169.8	-179.8	63.3	0	0	0	109.3	V80	L78-V80 HydrophobicContact CD1-CG2 4.39Å; L78-V80 HydrophobicContact CD2-CG2 4.28Å; L78-V80 HydrophobicContact CG-CG2 4Å
79	V	98.1	Very high	97	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.5	174.6	-177.3	0	0	0	0	108.1	S71 A72 V74 Q77 R81 K115 M116	S71-V79 VanDerWaalsContact CA-O 3.23Å; S71-V79 WeakPolarHBondContact CA-O 3.22Å; A72-V79 PolarHBondContact N-O 2.84Å; A72-V79 PolarHBondContact O-N 2.83Å; V74-V79 HydrophobicContact CB-CG2 3.81Å; V74-V79 HydrophobicContact CG2-CB 4.17Å; V74-V79 HydrophobicContact CG2-CG2 3.89Å; Q77-V79 PolarHBondContact O-N 2.9Å; V79-R81 HydrophobicContact CG1-CG 4.32Å; V79-K115 HydrophobicContact CG1-CB 4.29Å; V79-K115 HydrophobicContact CG2-CB 4.26Å; V79-K115 HydrophobicContact CG2-CD 4.39Å; V79-M116 HydrophobicContact CB-CE 4.24Å; V79-M116 HydrophobicContact CG1-CB 4.01Å; V79-M116 HydrophobicContact CG1-CE 4.09Å; V79-M116 WeakPolarHBondContact O-CE 3.26Å
80	V	98.2	Very high	96.8	Very high	50 Å²	50	55.7 Å²	55.7	30%	0.303	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.3	178.3	-171.1	0	0	0	0	108.5	Y69 L70 L78	Y69-V80 HydrophobicContact CD1-CG1 3.87Å; Y69-V80 HydrophobicContact CG-CG1 4.09Å; L70-V80 WeakPolarHBondContact O-CA 3.5Å; L78-V80 HydrophobicContact CD1-CG2 4.39Å; L78-V80 HydrophobicContact CD2-CG2 4.28Å; L78-V80 HydrophobicContact CG-CG2 4Å
81	R	98	Very high	96.7	Very high	118 Å²	118	58.2 Å²	58.2	45%	0.445	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.8	179.5	-70.1	-63.7	-179.6	-89	5.1	111.6	Y69 L70 V79 Y83 M116	Y69-R81 WeakPolarHBondContact CA-O 3.38Å; L70-R81 PolarHBondContact N-O 3.35Å; L70-R81 PolarHBondContact O-N 3.42Å; V79-R81 HydrophobicContact CG1-CG 4.32Å; R81-Y83 HydrophobicContact CB-CD2 4.35Å; R81-Y83 HydrophobicContact CB-CE2 3.53Å; R81-Y83 VanDerWaalsContact O-CD2 3.3Å; R81-Y83 WeakPolarHBondContact O-CD2 3.24Å; R81-M116 HydrophobicContact CB-CB 4.29Å; R81-M116 HydrophobicContact CB-CG 4.26Å; R81-M116 HydrophobicContact CG-CB 3.77Å; R81-M116 HydrophobicContact CG-CG 4.28Å
82	P	98	Very high	96.6	Very high	68 Å²	68	60.6 Å²	60.6	44%	0.442	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	143.9	175.1	32	-34.1	0	0	0	110.9	H67 V68 Y69	H67-P82 VanDerWaalsContact CD2-CB 3.48Å; H67-P82 WeakPolarHBondContact CD2-CB 3.33Å; V68-P82 CarbonylContact O-C 3.58Å; V68-P82 VanDerWaalsContact O-CA 3.3Å; V68-P82 WeakPolarHBondContact O-CA 3.26Å; Y69-P82 HydrophobicContact CD1-CB 4.14Å; Y69-P82 HydrophobicContact CE1-CB 3.88Å; Y69-P82 HydrophobicContact CE1-CG 4.43Å
83	Y	98.3	Very high	96.6	Very high	31 Å²	31	60.6 Å²	60.6	12%	0.122	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.3	174.5	-66.7	-82.4	0	0	0	110.3	H67 V68 L70 R81 I99 M116	H67-Y83 WeakPolarHBondContact CB-O 3.26Å; V68-Y83 VanDerWaalsContact CG2-O 3.32Å; V68-Y83 WeakPolarHBondContact CG2-O 3.39Å; V68-Y83 PolarHBondContact N-O 3.32Å; V68-Y83 PolarHBondContact O-N 2.79Å; L70-Y83 HydrophobicContact CB-CD2 3.72Å; L70-Y83 HydrophobicContact CB-CE2 3.87Å; L70-Y83 HydrophobicContact CD1-CD2 3.53Å; L70-Y83 HydrophobicContact CD1-CE2 3.93Å; L70-Y83 HydrophobicContact CD1-CG 4.03Å; L70-Y83 HydrophobicContact CG-CD2 3.55Å; L70-Y83 HydrophobicContact CG-CE2 4.14Å; L70-Y83 HydrophobicContact CG-CG 4.32Å; R81-Y83 HydrophobicContact CB-CD2 4.35Å; R81-Y83 HydrophobicContact CB-CE2 3.53Å; R81-Y83 VanDerWaalsContact O-CD2 3.3Å; R81-Y83 WeakPolarHBondContact O-CD2 3.24Å; Y83-I99 HydrophobicContact CD1-CD1 3.58Å; Y83-I99 HydrophobicContact CD1-CG1 3.86Å; Y83-I99 HydrophobicContact CE1-CD1 3.57Å; Y83-I99 HydrophobicContact CE1-CG1 3.9Å; Y83-I99 HydrophobicContact CE1-CG2 4.04Å; Y83-I99 HydrophobicContact CG-CD1 4.34Å; Y83-M116 HydrophobicContact CE2-CG 3.84Å; Y83-M116 WeakPolarHBondContact OH-CB 3.33Å; Y83-M116 WeakPolarHBondContact OH-CG 3.45Å
84	T	98.4	Very high	96.7	Very high	15 Å²	15	53.6 Å²	53.6	9%	0.092	30%	0.298	C	S	.	.			trans	-97.6	122	171.1	-51.6	0	0	0	0	108.9	Q169	T84-Q169 HydrophobicContact CG2-CB 3.86Å; T84-Q169 HydrophobicContact CG2-CG 4.26Å
85	P	98.4	Very high	96.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.013	30%	0.296	C	S	.	.			trans	-60	148.8	171.4	-21.6	31.9	0	0	0	112.7	L60 L62 V95 T96 F97	L60-P85 HydrophobicContact CD2-CG 3.77Å; L62-P85 VanDerWaalsContact CD2-CD 3.43Å; L62-P85 HydrophobicContact CD2-CG 3.66Å; P85-V95 HydrophobicContact CB-CG2 3.6Å; P85-V95 HydrophobicContact CG-CG2 3.63Å; P85-T96 CarbonylContact C-O 3.53Å; P85-T96 WeakPolarHBondContact CA-O 3.28Å; P85-F97 HydrophobicContact CB-CD1 4.41Å; P85-F97 HydrophobicContact CB-CE1 4.12Å; P85-F97 HydrophobicContact CG-CD1 4.31Å; P85-F97 HydrophobicContact CG-CE1 3.58Å; P85-F97 HydrophobicContact CG-CZ 3.95Å
86	V	98	Very high	97.1	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.079	26%	0.26	C	S	.	.			trans	-104.1	-11.8	172.1	-59.7	0	0	0	0	112.6	T96 V98 T165 Y168 Q172 L198	V86-T96 HydrophobicContact CG2-CG2 4Å; V86-T96 WeakPolarHBondContact CG2-O 3.46Å; V86-T96 PolarHBondContact N-O 2.98Å; V86-V98 HydrophobicContact CG1-CB 4.28Å; V86-V98 HydrophobicContact CG2-CB 4.34Å; V86-V98 HydrophobicContact CG2-CG2 3.79Å; V86-T165 HydrophobicContact CG1-CG2 4.08Å; V86-Y168 HydrophobicContact CB-CD1 3.95Å; V86-Y168 HydrophobicContact CB-CE1 3.86Å; V86-Y168 HydrophobicContact CG1-CD1 4.05Å; V86-Y168 HydrophobicContact CG1-CE1 4.39Å; V86-Q172 PolarHBondContact O-NE2 3.49Å; V86-L198 HydrophobicContact CG1-CD1 3.99Å
87	S	97.6	Very high	97.3	Very high	14 Å²	14	43.9 Å²	43.9	10%	0.098	23%	0.233	C	C	.	.	S	Bend	trans	-60.7	151.3	167.8	47	0	0	0	0	110.7	E91 T96	S87-E91 WeakPolarHBondContact CB-OE2 3.34Å; S87-T96 PolarHBondContact N-O 2.94Å; S87-T96 PolarHBondContact OG-N 2.95Å
88	Q	94.5	Very high	97.4	Very high	67 Å²	67	39 Å²	39	31%	0.313	21%	0.211	S	C	.	.			trans	-61.5	148.3	177.7	-62.5	-72.1	-34.3	0	0	110.9	D90 E91 Q172	Q88-D90 WeakPolarHBondContact CB-OD1 3.42Å; Q88-D90 PolarHBondContact O-N 3.06Å; Q88-E91 HydrophobicContact CB-CB 4.29Å; Q88-E91 VanDerWaalsContact O-CB 3.26Å; Q88-E91 WeakPolarHBondContact O-CB 3.47Å; Q88-E91 PolarHBondContact O-N 3.29Å; Q88-Q172 VanDerWaalsContact NE2-NE2 3.16Å
89	S	92.5	Very high	97.4	Very high	48 Å²	48	33.1 Å²	33.1	34%	0.336	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.3	-177.4	55.3	0	0	0	0	114.7	I64 R176	I64-S89 VanDerWaalsContact CD1-CB 3.43Å; S89-R176 PolarHBondContact OG-NH2 3.15Å; S89-R176 VanDerWaalsContact OG-NH2 3.14Å
90	D	93.3	Very high	97.3	Very high	90 Å²	90	34.2 Å²	34.2	48%	0.481	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.3	175.6	62.9	-15.3	0	0	0	113	L59 Q88 V92 R176	L59-D90 VanDerWaalsContact CD2-C 3.43Å; L59-D90 HydrophobicContact CD2-CB 4.49Å; L59-D90 VanDerWaalsContact CD2-O 3.31Å; L59-D90 WeakPolarHBondContact CD2-O 3.3Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.42Å; Q88-D90 PolarHBondContact O-N 3.06Å; D90-V92 PolarHBondContact O-N 2.86Å; D90-R176 VanDerWaalsContact CG-NH1 3.28Å; D90-R176 IonicContact OD1-CZ 3.21Å; D90-R176 IonicContact OD1-NH1 2.78Å; D90-R176 PolarHBondContact OD1-NH1 3.44Å; D90-R176 IonicContact OD1-NH2 2.77Å; D90-R176 IonicContact OD2-CZ 3.83Å; D90-R176 IonicContact OD2-NH1 3.51Å; D90-R176 PolarHBondContact OD2-NH1 2.93Å; D90-R176 IonicContact OD2-NH2 2.81Å
91	E	96.5	Very high	97.2	Very high	53 Å²	53	32 Å²	32	25%	0.248	17%	0.171	C	C	.	.			trans	-61.8	127.3	172.2	-170.3	176.9	135.9	0	0	109.6	S87 Q88 S94	S87-E91 WeakPolarHBondContact CB-OE2 3.34Å; Q88-E91 HydrophobicContact CB-CB 4.29Å; Q88-E91 VanDerWaalsContact O-CB 3.26Å; Q88-E91 WeakPolarHBondContact O-CB 3.47Å; Q88-E91 PolarHBondContact O-N 3.29Å; E91-S94 PolarHBondContact OE1-OG 3.22Å
92	V	97.5	Very high	97	Very high	61 Å²	61	31.1 Å²	31.1	37%	0.37	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-100.8	145.3	178.6	-65	0	0	0	0	111	P21 P56 Q58 L59 D90 S94	P21-V92 HydrophobicContact CB-CG1 4.42Å; P21-V92 HydrophobicContact CG-CG1 4.29Å; P56-V92 CarbonylContact O-C 3.56Å; Q58-V92 CarbonylContact O-C 3.5Å; Q58-V92 VanDerWaalsContact O-CA 3.28Å; Q58-V92 WeakPolarHBondContact O-CA 3.3Å; L59-V92 HydrophobicContact CD2-CG1 3.74Å; L59-V92 HydrophobicContact CG-CG1 4.18Å; D90-V92 PolarHBondContact O-N 2.86Å; V92-S94 PolarHBondContact O-N 2.87Å; V92-S94 VanDerWaalsContact O-N 3.13Å
93	G	97.9	Very high	96.9	Very high	12 Å²	12	32.2 Å²	32.2	12%	0.124	17%	0.167	C	C	.	.	S	Bend	trans	81.3	-20.7	172.1	0	0	0	0	0	115.5	A52 L53 S55 P56 Q58	A52-G93 WeakPolarHBondContact CA-O 3.17Å; L53-G93 PolarHBondContact N-O 2.97Å; S55-G93 WeakPolarHBondContact O-CA 3.36Å; P56-G93 WeakPolarHBondContact O-CA 3.48Å; P56-G93 PolarHBondContact O-N 2.81Å; Q58-G93 PolarHBondContact O-N 3.47Å
94	S	98.3	Very high	96.8	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	164.1	175.5	47.7	0	0	0	0	114.5	F51 E91 V92	F51-S94 CarbonylContact O-C 3.46Å; F51-S94 WeakPolarHBondContact O-CA 3.46Å; F51-S94 VanDerWaalsContact O-CB 3.29Å; F51-S94 WeakPolarHBondContact O-CB 3.37Å; E91-S94 PolarHBondContact OE1-OG 3.22Å; V92-S94 PolarHBondContact O-N 2.87Å; V92-S94 VanDerWaalsContact O-N 3.13Å
95	V	98.7	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.1	167.8	58	0	0	0	0	108.7	I34 F51 L53 L60 P85 F97	I34-V95 HydrophobicContact CD1-CG1 3.98Å; F51-V95 HydrophobicContact CB-CG1 4.01Å; F51-V95 PolarHBondContact N-O 2.81Å; F51-V95 PolarHBondContact O-N 2.9Å; L53-V95 HydrophobicContact CD2-CB 4.33Å; L53-V95 HydrophobicContact CD2-CG1 3.96Å; L60-V95 HydrophobicContact CD2-CB 4.32Å; L60-V95 HydrophobicContact CD2-CG2 3.7Å; P85-V95 HydrophobicContact CB-CG2 3.6Å; P85-V95 HydrophobicContact CG-CG2 3.63Å; V95-F97 HydrophobicContact CB-CE2 4.45Å; V95-F97 HydrophobicContact CG1-CE2 3.91Å; V95-F97 HydrophobicContact CG1-CZ 4.44Å; V95-F97 HydrophobicContact CG2-CD2 4.49Å; V95-F97 HydrophobicContact CG2-CE1 4.48Å; V95-F97 HydrophobicContact CG2-CE2 3.75Å; V95-F97 HydrophobicContact CG2-CZ 3.74Å
96	T	98.7	Very high	96.2	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.08	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.8	-176.3	-58.1	0	0	0	0	111.2	M48 F49 R50 P85 V86 S87	M48-T96 HydrophobicContact CE-CG2 4.45Å; M48-T96 HydrophobicContact CG-CG2 3.48Å; M48-T96 VanDerWaalsContact CG-CG2 3.48Å; M48-T96 HydrophobicContact SD-CG2 3.86Å; F49-T96 CarbonylContact O-C 3.24Å; F49-T96 WeakPolarHBondContact O-CA 3.4Å; R50-T96 WeakPolarHBondContact CG-OG1 3.16Å; P85-T96 CarbonylContact C-O 3.53Å; P85-T96 WeakPolarHBondContact CA-O 3.28Å; V86-T96 HydrophobicContact CG2-CG2 4Å; V86-T96 WeakPolarHBondContact CG2-O 3.46Å; V86-T96 PolarHBondContact N-O 2.98Å; S87-T96 PolarHBondContact N-O 2.94Å; S87-T96 PolarHBondContact OG-N 2.95Å
97	F	98.6	Very high	95.7	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.7	175	-57	-89.3	0	0	0	110.4	M48 F49 F51 V68 L70 P85 V95 I99 I131	M48-F97 CarbonylContact C-O 3.57Å; M48-F97 WeakPolarHBondContact CA-O 3.25Å; F49-F97 PolarHBondContact N-O 3.14Å; F49-F97 PolarHBondContact O-N 2.77Å; F51-F97 AromaticContact CD2-CD2 3.82Å; F51-F97 HydrophobicContact CD2-CD2 3.82Å; F51-F97 AromaticContact CD2-CE2 3.96Å; F51-F97 HydrophobicContact CD2-CE2 3.96Å; F51-F97 AromaticContact CE2-CD2 3.95Å; F51-F97 HydrophobicContact CE2-CD2 3.95Å; F51-F97 HydrophobicContact CE2-CE2 4.32Å; V68-F97 HydrophobicContact CG2-CE1 3.74Å; V68-F97 HydrophobicContact CG2-CZ 3.74Å; L70-F97 HydrophobicContact CD1-CE2 4.48Å; L70-F97 HydrophobicContact CD2-CZ 4.35Å; P85-F97 HydrophobicContact CB-CD1 4.41Å; P85-F97 HydrophobicContact CB-CE1 4.12Å; P85-F97 HydrophobicContact CG-CD1 4.31Å; P85-F97 HydrophobicContact CG-CE1 3.58Å; P85-F97 HydrophobicContact CG-CZ 3.95Å; V95-F97 HydrophobicContact CB-CE2 4.45Å; V95-F97 HydrophobicContact CG1-CE2 3.91Å; V95-F97 HydrophobicContact CG1-CZ 4.44Å; V95-F97 HydrophobicContact CG2-CD2 4.49Å; V95-F97 HydrophobicContact CG2-CE1 4.48Å; V95-F97 HydrophobicContact CG2-CE2 3.75Å; V95-F97 HydrophobicContact CG2-CZ 3.74Å; F97-I99 HydrophobicContact CB-CD1 3.75Å; F97-I99 HydrophobicContact CB-CG1 3.94Å; F97-I99 HydrophobicContact CG-CD1 4.45Å; F97-I131 HydrophobicContact CZ-CD1 4.21Å
98	V	97.9	Very high	95.3	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.6	167.9	170.5	0	0	0	0	107.8	T46 R47 M48 V86 L197 L198	T46-V98 HydrophobicContact CG2-CG1 3.49Å; T46-V98 VanDerWaalsContact CG2-CG1 3.49Å; R47-V98 WeakPolarHBondContact O-CA 3.49Å; M48-V98 HydrophobicContact CB-CG2 4.19Å; M48-V98 HydrophobicContact CG-CG2 4.05Å; V86-V98 HydrophobicContact CG1-CB 4.28Å; V86-V98 HydrophobicContact CG2-CB 4.34Å; V86-V98 HydrophobicContact CG2-CG2 3.79Å; V98-L197 HydrophobicContact CG1-CD2 4.26Å; V98-L198 HydrophobicContact CB-CD2 4.49Å; V98-L198 HydrophobicContact CG1-CD2 4.5Å; V98-L198 HydrophobicContact CG2-CD2 4.15Å
99	I	97.7	Very high	95	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.3	-166.7	-63.7	172.5	0	0	0	109.7	R47 F49 Y83 F97 T117 L120	R47-I99 PolarHBondContact N-O 3.34Å; R47-I99 PolarHBondContact O-N 3.16Å; F49-I99 HydrophobicContact CD2-CB 4.19Å; F49-I99 HydrophobicContact CD2-CD1 4.04Å; F49-I99 HydrophobicContact CD2-CG1 4.37Å; F49-I99 HydrophobicContact CE2-CB 3.97Å; F49-I99 HydrophobicContact CE2-CD1 4.39Å; Y83-I99 HydrophobicContact CD1-CD1 3.58Å; Y83-I99 HydrophobicContact CD1-CG1 3.86Å; Y83-I99 HydrophobicContact CE1-CD1 3.57Å; Y83-I99 HydrophobicContact CE1-CG1 3.9Å; Y83-I99 HydrophobicContact CE1-CG2 4.04Å; Y83-I99 HydrophobicContact CG-CD1 4.34Å; F97-I99 HydrophobicContact CB-CD1 3.75Å; F97-I99 HydrophobicContact CB-CG1 3.94Å; F97-I99 HydrophobicContact CG-CD1 4.45Å; I99-T117 HydrophobicContact CG2-CG2 3.69Å; I99-L120 HydrophobicContact CD1-CD1 3.56Å; I99-L120 HydrophobicContact CG2-CD1 4.49Å
100	K	95.5	Very high	95	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.13	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.3	167.4	-169.6	168.6	-163.1	160.4	0	110	D45 Y102 T117 D195	D45-K100 WeakPolarHBondContact OD2-CE 3.4Å; D45-K100 IonicContact OD2-NZ 2.71Å; D45-K100 PolarHBondContact OD2-NZ 3.05Å; K100-Y102 HydrophobicContact CB-CE2 4.26Å; K100-Y102 HydrophobicContact CD-CE1 4.17Å; K100-Y102 HydrophobicContact CG-CE1 4.44Å; K100-Y102 HydrophobicContact CG-CE2 4.45Å; K100-Y102 WeakPolarHBondContact O-CD2 3.29Å; K100-T117 WeakPolarHBondContact O-CG2 3.19Å; K100-D195 IonicContact NZ-OD1 3.99Å; K100-D195 PolarHBondContact NZ-OD1 2.7Å
101	V	96.7	Very high	95	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	31%	0.314	C	S	.	.			trans	-93.7	101.3	179.7	-178.6	0	0	0	0	109.6	D45 R47 K103 Q118 D121	D45-V101 WeakPolarHBondContact O-CA 3.25Å; D45-V101 WeakPolarHBondContact O-CB 3.46Å; D45-V101 PolarHBondContact O-N 3.09Å; R47-V101 HydrophobicContact CG-CG2 4.36Å; V101-K103 HydrophobicContact CG1-CG 4.19Å; V101-K103 PolarHBondContact O-N 2.94Å; V101-Q118 HydrophobicContact CG1-CG 4.38Å; V101-D121 HydrophobicContact CG1-CB 3.81Å; V101-D121 HydrophobicContact CG2-CB 3.94Å
102	Y	94.9	Very high	94.9	Very high	100 Å²	100	62.3 Å²	62.3	39%	0.392	33%	0.333	S	S	.	.			trans	-74.7	94.4	173.2	-59	-84.7	0	0	0	109.8	K100 G113 G114 T117 Q118 S162	K100-Y102 HydrophobicContact CB-CE2 4.26Å; K100-Y102 HydrophobicContact CD-CE1 4.17Å; K100-Y102 HydrophobicContact CG-CE1 4.44Å; K100-Y102 HydrophobicContact CG-CE2 4.45Å; K100-Y102 WeakPolarHBondContact O-CD2 3.29Å; Y102-G113 CarbonylContact O-C 3.51Å; Y102-G113 WeakPolarHBondContact O-CA 3.38Å; Y102-G114 PolarHBondContact O-N 3.37Å; Y102-T117 HydrophobicContact CD2-CG2 4.15Å; Y102-T117 PolarHBondContact N-OG1 3.14Å; Y102-Q118 VanDerWaalsContact O-CG 3.26Å; Y102-Q118 WeakPolarHBondContact O-CG 3.48Å; Y102-Q118 PolarHBondContact O-NE2 2.87Å; Y102-S162 PolarHBondContact OH-OG 2.94Å
103	K	95.8	Very high	94.8	Very high	91 Å²	91	60.4 Å²	60.4	40%	0.396	33%	0.325	S	S	.	.			trans	-71.9	149.2	177.7	-64.8	178.5	179.7	175.8	0	111.4	V101 V106	V101-K103 HydrophobicContact CG1-CG 4.19Å; V101-K103 PolarHBondContact O-N 2.94Å; K103-V106 HydrophobicContact CB-CG2 3.83Å
104	S	95.2	Very high	94.7	Very high	54 Å²	54	60.6 Å²	60.6	38%	0.378	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	150.1	171.1	57.1	0	0	0	0	112	V106 P111	S104-V106 PolarHBondContact O-N 3.03Å; S104-P111 CarbonylContact C-O 3.52Å; S104-P111 VanDerWaalsContact CA-O 3.25Å; S104-P111 WeakPolarHBondContact CA-O 3.34Å; S104-P111 WeakPolarHBondContact CB-O 3.39Å
105	N	93.6	Very high	94.6	Very high	139 Å²	139	63.9 Å²	63.9	74%	0.743	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	20.3	176.7	-55.4	-40.1	0	0	0	115.2	P111	N105-P111 PolarHBondContact N-O 2.98Å
106	V	91	Very high	94.6	Very high	108 Å²	108	64 Å²	64	66%	0.655	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-48	175.5	176.2	0	0	0	0	111.7	K103 S104	K103-V106 HydrophobicContact CB-CG2 3.83Å; S104-V106 PolarHBondContact O-N 3.03Å
107	H	87	Confident	94.6	Very high	82 Å²	82	63.9 Å²	63.9	38%	0.38	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-93.4	123.2	-179.3	-167.1	-68.4	0	0	0	110.2	N109 F110	H107-N109 VanDerWaalsContact C-N 3.29Å; H107-N109 PolarHBondContact ND1-N 3.39Å; H107-N109 VanDerWaalsContact ND1-N 3.14Å; H107-N109 PolarHBondContact O-N 2.82Å; H107-F110 HydrophobicContact CB-CB 4.22Å; H107-F110 HydrophobicContact CB-CD2 4.47Å; H107-F110 AromaticContact CE1-CD2 3.67Å; H107-F110 AromaticContact CE1-CE2 3.93Å; H107-F110 AromaticContact CG-CD2 3.81Å; H107-F110 AromaticContact ND1-CD2 3.38Å; H107-F110 WeakPolarHBondContact ND1-CD2 3.34Å; H107-F110 CarbonylContact O-C 3.57Å; H107-F110 VanDerWaalsContact O-C 3.24Å; H107-F110 PolarHBondContact O-N 2.83Å
108	P	89	Confident	94.6	Very high	117 Å²	117	65.2 Å²	65.2	76%	0.76	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.1	-174	22.1	-32.9	0	0	0	112.7	F110	P108-F110 VanDerWaalsContact C-N 3.33Å; P108-F110 PolarHBondContact O-N 3.45Å
109	N	89.4	Confident	94.6	Very high	123 Å²	123	66.6 Å²	66.6	66%	0.658	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.6	178.5	-54.2	-16.9	0	0	0	114.1	H107	H107-N109 VanDerWaalsContact C-N 3.29Å; H107-N109 PolarHBondContact ND1-N 3.39Å; H107-N109 VanDerWaalsContact ND1-N 3.14Å; H107-N109 PolarHBondContact O-N 2.82Å
110	F	91.3	Very high	94.6	Very high	134 Å²	134	66.2 Å²	66.2	59%	0.588	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-138.5	66.8	-176.2	-57.4	-69.9	0	0	0	110.6	H107 P108 E112 G113	H107-F110 HydrophobicContact CB-CB 4.22Å; H107-F110 HydrophobicContact CB-CD2 4.47Å; H107-F110 AromaticContact CE1-CD2 3.67Å; H107-F110 AromaticContact CE1-CE2 3.93Å; H107-F110 AromaticContact CG-CD2 3.81Å; H107-F110 AromaticContact ND1-CD2 3.38Å; H107-F110 WeakPolarHBondContact ND1-CD2 3.34Å; H107-F110 CarbonylContact O-C 3.57Å; H107-F110 VanDerWaalsContact O-C 3.24Å; H107-F110 PolarHBondContact O-N 2.83Å; P108-F110 VanDerWaalsContact C-N 3.33Å; P108-F110 PolarHBondContact O-N 3.45Å; F110-E112 VanDerWaalsContact C-N 3.26Å; F110-E112 PolarHBondContact O-N 3.49Å; F110-G113 PolarHBondContact O-N 2.8Å
111	P	93.1	Very high	94.7	Very high	73 Å²	73	66.6 Å²	66.6	47%	0.474	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.2	-172.8	24.8	-34.9	0	0	0	113.4	S104 N105 G113	S104-P111 CarbonylContact C-O 3.52Å; S104-P111 VanDerWaalsContact CA-O 3.25Å; S104-P111 WeakPolarHBondContact CA-O 3.34Å; S104-P111 WeakPolarHBondContact CB-O 3.39Å; N105-P111 PolarHBondContact N-O 2.98Å; P111-G113 VanDerWaalsContact C-N 3.25Å; P111-G113 PolarHBondContact O-N 3.45Å
112	E	94.7	Very high	94.8	Very high	135 Å²	135	73.1 Å²	73.1	63%	0.631	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15	176.1	-61.4	-168.7	164.9	0	0	113.7	F110 Q118	F110-E112 VanDerWaalsContact C-N 3.26Å; F110-E112 PolarHBondContact O-N 3.49Å; E112-Q118 PolarHBondContact O-NE2 3.49Å
113	G	95.3	Very high	94.9	Very high	20 Å²	20	68.9 Å²	68.9	21%	0.206	36%	0.361	C	S	.	.			trans	64.4	-162.5	-171.8	0	0	0	0	0	113.5	Y102 F110 P111	Y102-G113 CarbonylContact O-C 3.51Å; Y102-G113 WeakPolarHBondContact O-CA 3.38Å; F110-G113 PolarHBondContact O-N 2.8Å; P111-G113 VanDerWaalsContact C-N 3.25Å; P111-G113 PolarHBondContact O-N 3.45Å
114	G	96.1	Very high	95.1	Very high	17 Å²	17	72 Å²	72	18%	0.175	38%	0.375	C	S	.	.			trans	-88.5	112.3	-178.9	0	0	0	0	0	111.6	Y102 M116 T117 Q118	Y102-G114 PolarHBondContact O-N 3.37Å; G114-M116 PolarHBondContact O-N 3.32Å; G114-T117 PolarHBondContact O-N 3.25Å; G114-T117 PolarHBondContact O-OG1 3.07Å; G114-Q118 WeakPolarHBondContact O-CB 3.5Å; G114-Q118 VanDerWaalsContact O-CG 3.26Å; G114-Q118 WeakPolarHBondContact O-CG 3.4Å; G114-Q118 PolarHBondContact O-N 3.24Å; G114-Q118 PolarHBondContact O-NE2 2.71Å
115	K	97.3	Very high	95.2	Very high	81 Å²	81	74.4 Å²	74.4	35%	0.352	38%	0.382	S	S	.	.	H	α-helix	trans	-54.3	-50.3	179.4	-66.1	-175.7	178.1	-177.8	0	112.5	V79 H119	V79-K115 HydrophobicContact CG1-CB 4.29Å; V79-K115 HydrophobicContact CG2-CB 4.26Å; V79-K115 HydrophobicContact CG2-CD 4.39Å; K115-H119 WeakPolarHBondContact O-CB 3.16Å; K115-H119 PolarHBondContact O-N 2.66Å; K115-H119 VanDerWaalsContact O-N 3.16Å
116	M	98.1	Very high	95.5	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.015	37%	0.367	C	S	.	.	H	α-helix	trans	-70.7	-45.2	-179.7	-177.7	58.9	79.8	0	0	112.2	L70 A72 V79 R81 Y83 G114 Q118 H119 L120 I129	L70-M116 WeakPolarHBondContact O-CE 3.35Å; A72-M116 HydrophobicContact CB-CE 4.24Å; A72-M116 HydrophobicContact CB-SD 4.4Å; V79-M116 HydrophobicContact CB-CE 4.24Å; V79-M116 HydrophobicContact CG1-CB 4.01Å; V79-M116 HydrophobicContact CG1-CE 4.09Å; V79-M116 WeakPolarHBondContact O-CE 3.26Å; R81-M116 HydrophobicContact CB-CB 4.29Å; R81-M116 HydrophobicContact CB-CG 4.26Å; R81-M116 HydrophobicContact CG-CB 3.77Å; R81-M116 HydrophobicContact CG-CG 4.28Å; Y83-M116 HydrophobicContact CE2-CG 3.84Å; Y83-M116 WeakPolarHBondContact OH-CB 3.33Å; Y83-M116 WeakPolarHBondContact OH-CG 3.45Å; G114-M116 PolarHBondContact O-N 3.32Å; M116-Q118 VanDerWaalsContact C-N 3.33Å; M116-Q118 PolarHBondContact O-N 2.84Å; M116-H119 WeakPolarHBondContact O-CB 3.31Å; M116-H119 PolarHBondContact O-N 2.77Å; M116-H119 VanDerWaalsContact O-N 3.08Å; M116-L120 HydrophobicContact CG-CD1 4.03Å; M116-L120 HydrophobicContact CG-CG 4.39Å; M116-L120 WeakPolarHBondContact O-CG 3.26Å; M116-L120 PolarHBondContact O-N 3.43Å; M116-L120 HydrophobicContact SD-CD1 4.49Å; M116-L120 HydrophobicContact SD-CG 4.29Å; M116-I129 HydrophobicContact SD-CD1 4.08Å
117	T	97.9	Very high	95.8	Very high	10 Å²	10	67.9 Å²	67.9	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-36.3	-175.9	59.8	0	0	0	0	112.2	I99 K100 Y102 G114 D121	I99-T117 HydrophobicContact CG2-CG2 3.69Å; K100-T117 WeakPolarHBondContact O-CG2 3.19Å; Y102-T117 HydrophobicContact CD2-CG2 4.15Å; Y102-T117 PolarHBondContact N-OG1 3.14Å; G114-T117 PolarHBondContact O-N 3.25Å; G114-T117 PolarHBondContact O-OG1 3.07Å; T117-D121 WeakPolarHBondContact O-CB 3.46Å; T117-D121 PolarHBondContact O-N 2.81Å
118	Q	98.2	Very high	96.3	Very high	29 Å²	29	68.5 Å²	68.5	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-72.3	-30	172.9	-66.6	177.9	93.9	0	0	112.4	V101 Y102 E112 G114 M116 R122	V101-Q118 HydrophobicContact CG1-CG 4.38Å; Y102-Q118 VanDerWaalsContact O-CG 3.26Å; Y102-Q118 WeakPolarHBondContact O-CG 3.48Å; Y102-Q118 PolarHBondContact O-NE2 2.87Å; E112-Q118 PolarHBondContact O-NE2 3.49Å; G114-Q118 WeakPolarHBondContact O-CB 3.5Å; G114-Q118 VanDerWaalsContact O-CG 3.26Å; G114-Q118 WeakPolarHBondContact O-CG 3.4Å; G114-Q118 PolarHBondContact O-N 3.24Å; G114-Q118 PolarHBondContact O-NE2 2.71Å; M116-Q118 VanDerWaalsContact C-N 3.33Å; M116-Q118 PolarHBondContact O-N 2.84Å; Q118-R122 WeakPolarHBondContact O-CG 3.27Å; Q118-R122 PolarHBondContact O-N 3.26Å; Q118-R122 PolarHBondContact O-NH1 3.1Å
119	H	98.3	Very high	96.8	Very high	42 Å²	42	63 Å²	63	19%	0.194	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-51.1	171.2	173	77.9	0	0	0	110.8	A72 V74 K115 M116 D121 R122 M123	A72-H119 VanDerWaalsContact CB-NE2 3.31Å; A72-H119 WeakPolarHBondContact CB-NE2 3.14Å; V74-H119 HydrophobicContact CG2-CB 3.75Å; K115-H119 WeakPolarHBondContact O-CB 3.16Å; K115-H119 PolarHBondContact O-N 2.66Å; K115-H119 VanDerWaalsContact O-N 3.16Å; M116-H119 WeakPolarHBondContact O-CB 3.31Å; M116-H119 PolarHBondContact O-N 2.77Å; M116-H119 VanDerWaalsContact O-N 3.08Å; H119-D121 VanDerWaalsContact C-N 3.27Å; H119-D121 PolarHBondContact O-N 2.78Å; H119-R122 PolarHBondContact O-N 3.16Å; H119-M123 PolarHBondContact O-N 3.37Å; H119-M123 VanDerWaalsContact O-N 3.14Å
120	L	98.4	Very high	97.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-54.4	-43.8	174.1	-71.4	166.9	0	0	0	111.5	F49 F51 L70 I99 M116 R122 M123 I129	F49-L120 HydrophobicContact CE1-CB 4.07Å; F49-L120 WeakPolarHBondContact CE1-O 3.23Å; F49-L120 HydrophobicContact CE2-CB 4.29Å; F49-L120 HydrophobicContact CZ-CB 3.85Å; F51-L120 HydrophobicContact CZ-CD2 4.04Å; L70-L120 HydrophobicContact CD1-CD2 4.44Å; I99-L120 HydrophobicContact CD1-CD1 3.56Å; I99-L120 HydrophobicContact CG2-CD1 4.49Å; M116-L120 HydrophobicContact CG-CD1 4.03Å; M116-L120 HydrophobicContact CG-CG 4.39Å; M116-L120 WeakPolarHBondContact O-CG 3.26Å; M116-L120 PolarHBondContact O-N 3.43Å; M116-L120 HydrophobicContact SD-CD1 4.49Å; M116-L120 HydrophobicContact SD-CG 4.29Å; L120-R122 PolarHBondContact O-N 3.12Å; L120-M123 HydrophobicContact CD2-SD 3.78Å; L120-M123 WeakPolarHBondContact O-CB 3.1Å; L120-M123 PolarHBondContact O-N 3.46Å; L120-M123 VanDerWaalsContact O-N 3.13Å; L120-I129 HydrophobicContact CD2-CD1 3.57Å; L120-I129 HydrophobicContact CG-CD1 4.46Å
121	D	97.8	Very high	97.6	Very high	37 Å²	37	53.2 Å²	53.2	20%	0.198	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-25.1	178.1	-164.1	38	0	0	0	113.4	K39 R47 V101 T117 H119	K39-D121 WeakPolarHBondContact CE-OD1 3.38Å; K39-D121 PolarHBondContact NZ-O 3.4Å; K39-D121 IonicContact NZ-OD1 2.65Å; K39-D121 PolarHBondContact NZ-OD1 2.84Å; R47-D121 IonicContact CZ-OD1 3.68Å; R47-D121 IonicContact CZ-OD2 3.51Å; R47-D121 IonicContact NE-OD1 2.69Å; R47-D121 PolarHBondContact NE-OD1 3.09Å; R47-D121 IonicContact NE-OD2 3.66Å; V101-D121 HydrophobicContact CG1-CB 3.81Å; V101-D121 HydrophobicContact CG2-CB 3.94Å; T117-D121 WeakPolarHBondContact O-CB 3.46Å; T117-D121 PolarHBondContact O-N 2.81Å; H119-D121 VanDerWaalsContact C-N 3.27Å; H119-D121 PolarHBondContact O-N 2.78Å
122	R	97.9	Very high	97.8	Very high	141 Å²	141	53.3 Å²	53.3	53%	0.532	27%	0.265	S	S	.	.	H	α-helix	trans	-86.6	-14.4	174.5	-72.2	-174.6	-62.2	-90.3	-0.5	114	Q118 H119 L120	Q118-R122 WeakPolarHBondContact O-CG 3.27Å; Q118-R122 PolarHBondContact O-N 3.26Å; Q118-R122 PolarHBondContact O-NH1 3.1Å; H119-R122 PolarHBondContact O-N 3.16Å; L120-R122 PolarHBondContact O-N 3.12Å
123	M	98.3	Very high	97.9	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.049	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-61.1	140.9	178.8	-69.9	179	71.9	0	0	110.8	L36 F51 H119 L120 D127 I129	L36-M123 HydrophobicContact CB-CE 4.29Å; L36-M123 HydrophobicContact CD2-CB 3.79Å; F51-M123 HydrophobicContact CE1-CE 4Å; H119-M123 PolarHBondContact O-N 3.37Å; H119-M123 VanDerWaalsContact O-N 3.14Å; L120-M123 HydrophobicContact CD2-SD 3.78Å; L120-M123 WeakPolarHBondContact O-CB 3.1Å; L120-M123 PolarHBondContact O-N 3.46Å; L120-M123 VanDerWaalsContact O-N 3.13Å; M123-D127 WeakPolarHBondContact CA-OD2 3.47Å; M123-D127 HydrophobicContact CB-CB 4.22Å; M123-D127 HydrophobicContact CE-CB 3.61Å; M123-D127 HydrophobicContact CG-CB 4.38Å; M123-I129 HydrophobicContact CE-CB 4.13Å; M123-I129 HydrophobicContact SD-CD1 4.45Å
124	K	98.3	Very high	98	Very high	157 Å²	157	47.5 Å²	47.5	68%	0.683	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-99.5	158.9	173	-60.9	179.7	-176.5	178.6	0	109.7	G126 D127	K124-G126 PolarHBondContact O-N 2.8Å; K124-D127 PolarHBondContact N-OD2 3.12Å; K124-D127 VanDerWaalsContact O-CB 3.28Å; K124-D127 WeakPolarHBondContact O-CB 3.4Å; K124-D127 PolarHBondContact O-N 2.76Å
125	I	98.6	Very high	98	Very high	104 Å²	104	48.3 Å²	48.3	53%	0.533	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	131	171.6	-56	-51.6	0	0	0	109.1	L36 K39	L36-I125 HydrophobicContact CD2-CD1 4.31Å; L36-I125 HydrophobicContact CG-CD1 4.06Å; K39-I125 HydrophobicContact CB-CD1 4.18Å
126	G	98.5	Very high	97.9	Very high	42 Å²	42	45.9 Å²	45.9	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	-19.3	-174.3	0	0	0	0	0	114.6	L36 K124	L36-G126 PolarHBondContact O-N 3.26Å; K124-G126 PolarHBondContact O-N 2.8Å
127	D	98.5	Very high	97.7	Very high	69 Å²	69	53 Å²	53	37%	0.369	27%	0.274	S	S	.	.			trans	-65.2	146.8	176.4	-69.9	-11.4	0	0	0	111	K35 L36 M123 K124	K35-D127 WeakPolarHBondContact CA-O 3.14Å; L36-D127 PolarHBondContact N-O 3.03Å; M123-D127 WeakPolarHBondContact CA-OD2 3.47Å; M123-D127 HydrophobicContact CB-CB 4.22Å; M123-D127 HydrophobicContact CE-CB 3.61Å; M123-D127 HydrophobicContact CG-CB 4.38Å; K124-D127 PolarHBondContact N-OD2 3.12Å; K124-D127 VanDerWaalsContact O-CB 3.28Å; K124-D127 WeakPolarHBondContact O-CB 3.4Å; K124-D127 PolarHBondContact O-N 2.76Å
128	E	98.2	Very high	97.5	Very high	94 Å²	94	52.9 Å²	52.9	44%	0.439	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	147.1	-179	-72.3	-177.9	-177.3	0	0	112.3	N33 I34 K35	N33-E128 PolarHBondContact ND2-OE2 3.02Å; I34-E128 WeakPolarHBondContact O-CA 3.33Å; K35-E128 HydrophobicContact CD-CG 4.43Å; K35-E128 WeakPolarHBondContact CE-OE1 3.32Å; K35-E128 HydrophobicContact CG-CG 3.55Å; K35-E128 IonicContact NZ-OE1 3.79Å
129	I	98.6	Very high	97.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.9	166.7	-164.1	163.2	0	0	0	110.1	N33 I34 F51 L70 S71 M116 L120 M123	N33-I129 WeakPolarHBondContact CA-O 3.42Å; I34-I129 HydrophobicContact CD1-CG2 4.3Å; I34-I129 HydrophobicContact CG1-CG2 3.81Å; I34-I129 PolarHBondContact N-O 2.87Å; I34-I129 PolarHBondContact O-N 2.95Å; F51-I129 HydrophobicContact CD1-CG2 3.81Å; F51-I129 HydrophobicContact CE1-CB 4.3Å; F51-I129 HydrophobicContact CE1-CG2 3.37Å; F51-I129 HydrophobicContact CZ-CG2 3.83Å; L70-I129 HydrophobicContact CB-CD1 3.86Å; L70-I129 HydrophobicContact CB-CG1 4.4Å; L70-I129 HydrophobicContact CD1-CD1 4.24Å; L70-I129 HydrophobicContact CD2-CG2 4.31Å; L70-I129 HydrophobicContact CG-CD1 4.46Å; S71-I129 WeakPolarHBondContact O-CG1 3.42Å; M116-I129 HydrophobicContact SD-CD1 4.08Å; L120-I129 HydrophobicContact CD2-CD1 3.57Å; L120-I129 HydrophobicContact CG-CD1 4.46Å; M123-I129 HydrophobicContact CE-CB 4.13Å; M123-I129 HydrophobicContact SD-CD1 4.45Å
130	N	98.4	Very high	97.2	Very high	52 Å²	52	51.4 Å²	51.4	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.3	173	-77.3	-87.7	0	0	0	109.7	N31 Y32 N33 L70 S71	N31-N130 HydrophobicContact CB-CB 4.5Å; Y32-N130 WeakPolarHBondContact O-CA 3.44Å; N33-N130 VanDerWaalsContact OD1-CG 3.22Å; N33-N130 PolarHBondContact OD1-ND2 3.35Å; N33-N130 PolarHBondContact OD1-OD1 2.83Å; L70-N130 CarbonylContact C-O 3.57Å; L70-N130 VanDerWaalsContact CA-O 3.31Å; L70-N130 WeakPolarHBondContact CA-O 3.41Å; S71-N130 PolarHBondContact N-O 3.42Å; S71-N130 WeakPolarHBondContact O-CB 3.32Å; S71-N130 PolarHBondContact O-N 3.33Å; S71-N130 WeakPolarHBondContact OG-CB 3.29Å
131	I	98.6	Very high	97	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139	169.6	-173.7	164.7	0	0	0	109.5	L24 Y32 I34 L60 V68 Y69 L70 F97	L24-I131 HydrophobicContact CD2-CG2 4.1Å; Y32-I131 PolarHBondContact N-O 2.86Å; Y32-I131 WeakPolarHBondContact O-CG2 3.46Å; Y32-I131 PolarHBondContact O-N 3.09Å; I34-I131 HydrophobicContact CB-CG2 4.46Å; I34-I131 HydrophobicContact CD1-CB 3.8Å; I34-I131 HydrophobicContact CD1-CD1 3.78Å; I34-I131 HydrophobicContact CD1-CG1 4.41Å; I34-I131 HydrophobicContact CD1-CG2 3.72Å; I34-I131 HydrophobicContact CG1-CB 4.28Å; I34-I131 HydrophobicContact CG1-CG2 3.95Å; I34-I131 HydrophobicContact CG2-CG2 3.75Å; L60-I131 HydrophobicContact CD1-CD1 3.86Å; V68-I131 HydrophobicContact CB-CD1 4.03Å; V68-I131 HydrophobicContact CB-CG1 3.8Å; V68-I131 HydrophobicContact CG1-CD1 4.04Å; V68-I131 HydrophobicContact CG1-CG1 4.09Å; V68-I131 HydrophobicContact CG2-CD1 3.78Å; V68-I131 HydrophobicContact CG2-CG1 3.96Å; Y69-I131 CarbonylContact O-C 3.56Å; Y69-I131 WeakPolarHBondContact O-CA 3.47Å; L70-I131 HydrophobicContact CD2-CB 3.98Å; L70-I131 HydrophobicContact CD2-CD1 4.28Å; L70-I131 HydrophobicContact CD2-CG1 4.05Å; F97-I131 HydrophobicContact CZ-CD1 4.21Å
132	R	98	Very high	96.8	Very high	74 Å²	74	55.7 Å²	55.7	28%	0.279	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.6	176	178.2	176.6	71.9	131.2	6.4	110.4	A28 A30 V68 Y69	A28-R132 WeakPolarHBondContact O-CG 3.47Å; A30-R132 WeakPolarHBondContact O-CG 3.32Å; V68-R132 CarbonylContact C-O 3.47Å; V68-R132 WeakPolarHBondContact CA-O 3.35Å; V68-R132 WeakPolarHBondContact CB-O 3.36Å; Y69-R132 PolarHBondContact N-O 3.08Å; Y69-R132 PolarHBondContact O-N 2.83Å
133	G	97.1	Very high	96.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-172.6	178.3	0	0	0	0	0	111.1	L25 A28	L25-G133 WeakPolarHBondContact CB-O 3.23Å; A28-G133 VanDerWaalsContact CA-O 3.31Å; A28-G133 WeakPolarHBondContact CA-O 3.37Å
134	P	96.9	Very high	96.5	Very high	33 Å²	33	54 Å²	54	21%	0.214	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-83.2	158.7	10.5	39	-40.4	0	0	0	113	L25 L62 P63 Q66	L25-P134 HydrophobicContact CD1-CB 4.38Å; L62-P134 HydrophobicContact CD1-CB 3.47Å; L62-P134 VanDerWaalsContact CD1-CB 3.47Å; P63-P134 VanDerWaalsContact CD-CB 3.46Å; P63-P134 HydrophobicContact CG-CB 4.38Å; P63-P134 HydrophobicContact CG-CG 4.28Å; Q66-P134 HydrophobicContact CB-CB 4.46Å
135	S	96.7	Very high	96.4	Very high	34 Å²	34	50.4 Å²	50.4	24%	0.238	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.2	-179.8	178.9	0	0	0	0	111.6	Q66 H67 Y69	Q66-S135 CarbonylContact C-O 3.46Å; Q66-S135 WeakPolarHBondContact CA-O 3.35Å; Q66-S135 VanDerWaalsContact CB-O 3.25Å; Q66-S135 WeakPolarHBondContact CB-O 3.43Å; H67-S135 PolarHBondContact CE1-O 3.23Å; H67-S135 PolarHBondContact N-O 3.09Å; H67-S135 PolarHBondContact ND1-O 3.47Å; H67-S135 PolarHBondContact NE2-OG 2.95Å; H67-S135 PolarHBondContact O-N 2.91Å; Y69-S135 WeakPolarHBondContact CE2-OG 3.25Å
136	G	94.9	Very high	95.8	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	25%	0.252	S	S	.	.			trans	137.8	159.8	179.2	0	0	0	0	0	112	Q66	Q66-G136 PolarHBondContact NE2-O 3.24Å
137	L	93.3	Very high	94.6	Very high	151 Å²	151	46.8 Å²	46.8	79%	0.791	25%	0.25	S	C	*	.	S	Bend	trans	-93.2	-28.7	-177.5	-62.7	176.5	0	0	0	112.9	C147 F280	L137-C147 PolarHBondContact O-SG 3.35Å; L137-F280 HydrophobicContact CB-CE2 4.03Å; L137-F280 HydrophobicContact CB-CZ 4.3Å
138	L	93.4	Very high	92.9	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	27%	0.269	C	S	.	.			trans	-86.6	129.6	-178.2	-170.3	147.4	0	0	0	110.3	G65 Q66 L146 L251 M253 F280 F282	G65-L138 CarbonylContact C-O 3.48Å; G65-L138 VanDerWaalsContact C-O 3.27Å; Q66-L138 WeakPolarHBondContact CG-O 3.39Å; L138-L146 HydrophobicContact CD1-CD2 4.13Å; L138-L146 HydrophobicContact CD2-CD2 3.81Å; L138-L146 HydrophobicContact CG-CD2 3.84Å; L138-L251 HydrophobicContact CD1-CD2 4.29Å; L138-M253 HydrophobicContact CD1-CE 4.16Å; L138-M253 HydrophobicContact CD1-SD 4.29Å; L138-F280 HydrophobicContact CB-CD1 4.28Å; L138-F280 HydrophobicContact CB-CE1 3.7Å; L138-F280 HydrophobicContact CB-CE2 4.06Å; L138-F280 HydrophobicContact CB-CZ 3.59Å; L138-F280 HydrophobicContact CD1-CD1 3.63Å; L138-F280 HydrophobicContact CD1-CD2 4.42Å; L138-F280 HydrophobicContact CD1-CE1 3.91Å; L138-F280 HydrophobicContact CD1-CG 3.92Å; L138-F280 HydrophobicContact CD1-CZ 4.43Å; L138-F280 HydrophobicContact CG-CE1 4.45Å; L138-F282 HydrophobicContact CD1-CZ 4.5Å
139	V	95.1	Very high	91.4	Very high	30 Å²	30	52.7 Å²	52.7	18%	0.182	28%	0.284	C	S	.	.			trans	-128.7	118.9	166.6	-178.3	0	0	0	0	108.8	P63 I64 Q66 E141 L146 C147	P63-V139 HydrophobicContact CB-CG1 3.92Å; P63-V139 HydrophobicContact CB-CG2 4.13Å; I64-V139 CarbonylContact O-C 3.54Å; I64-V139 VanDerWaalsContact O-CA 3.27Å; I64-V139 WeakPolarHBondContact O-CA 3.27Å; Q66-V139 HydrophobicContact CG-CG2 4.22Å; V139-E141 HydrophobicContact CG1-CG 4.26Å; V139-L146 WeakPolarHBondContact O-CA 3.2Å; V139-C147 HydrophobicContact CB-CB 4.08Å; V139-C147 PolarHBondContact O-N 2.98Å; V139-C147 VanDerWaalsContact O-N 3.1Å
140	Y	95.7	Very high	90.5	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.039	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.9	170.5	-171.8	-113	0	0	0	110.2	I64 Q143 G144 K145 L146 A173 M174 D180	I64-Y140 HydrophobicContact CG2-CD1 4.34Å; I64-Y140 HydrophobicContact CG2-CG 4.49Å; I64-Y140 PolarHBondContact O-N 3.18Å; Y140-Q143 PolarHBondContact OH-N 2.92Å; Y140-G144 PolarHBondContact OH-N 3.09Å; Y140-K145 WeakPolarHBondContact CD2-O 3.37Å; Y140-L146 HydrophobicContact CD2-CD2 3.87Å; Y140-L146 HydrophobicContact CD2-CG 4.21Å; Y140-A173 HydrophobicContact CD1-CB 4.17Å; Y140-M174 HydrophobicContact CD1-CE 4.39Å; Y140-M174 HydrophobicContact CD1-CG 4.16Å; Y140-M174 HydrophobicContact CD2-CE 3.78Å; Y140-M174 HydrophobicContact CE1-CB 4.41Å; Y140-M174 HydrophobicContact CE1-CE 4.12Å; Y140-M174 HydrophobicContact CE1-CG 3.41Å; Y140-M174 VanDerWaalsContact CE1-CG 3.41Å; Y140-M174 HydrophobicContact CE2-CE 3.47Å; Y140-M174 VanDerWaalsContact CE2-CE 3.47Å; Y140-M174 HydrophobicContact CE2-CG 4.32Å; Y140-M174 HydrophobicContact CG-CE 4.23Å; Y140-D180 WeakPolarHBondContact CE1-OD2 3.33Å; Y140-D180 PolarHBondContact OH-OD1 2.8Å; Y140-D180 PolarHBondContact OH-OD2 2.99Å
141	E	94.3	Very high	90.1	Very high	110 Å²	110	58 Å²	58	51%	0.514	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-6.1	-175.5	-58.8	-168.5	138.2	0	0	113.1	V139 K145	V139-E141 HydrophobicContact CG1-CG 4.26Å; E141-K145 HydrophobicContact CB-CB 4.32Å; E141-K145 HydrophobicContact CB-CD 4.41Å; E141-K145 HydrophobicContact CB-CG 4.41Å; E141-K145 PolarHBondContact N-O 3.13Å; E141-K145 VanDerWaalsContact OE2-CD 3.23Å; E141-K145 WeakPolarHBondContact OE2-CD 3.5Å; E141-K145 WeakPolarHBondContact OE2-CE 3.28Å; E141-K145 IonicContact OE2-NZ 2.94Å; E141-K145 PolarHBondContact OE2-NZ 2.85Å
142	G	94.5	Very high	90	Very high	18 Å²	18	58.7 Å²	58.7	19%	0.186	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.5	157.4	-177.7	0	0	0	0	0	113.2	G144 K145	G142-G144 VanDerWaalsContact C-N 3.3Å; G142-G144 PolarHBondContact O-N 3.39Å; G142-K145 VanDerWaalsContact O-CB 3.29Å; G142-K145 WeakPolarHBondContact O-CB 3.28Å; G142-K145 PolarHBondContact O-N 2.9Å
143	Q	95.1	Very high	89.9	Confident	113 Å²	113	63.5 Å²	63.5	53%	0.528	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	42.9	173.7	-57.6	178	31.5	0	0	114	Y140 K145 F179 D180	Y140-Q143 PolarHBondContact OH-N 2.92Å; Q143-K145 PolarHBondContact O-N 3.42Å; Q143-F179 HydrophobicContact CG-CB 4.37Å; Q143-D180 PolarHBondContact N-OD2 3.32Å
144	G	94.3	Very high	90	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.01	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-2.4	-179	0	0	0	0	0	114.9	Y140 G142 L151 V152 V182	Y140-G144 PolarHBondContact OH-N 3.09Å; G142-G144 VanDerWaalsContact C-N 3.3Å; G142-G144 PolarHBondContact O-N 3.39Å; G144-L151 WeakPolarHBondContact O-CA 3.32Å; G144-V152 WeakPolarHBondContact CA-O 2.71Å; G144-V152 WeakPolarHBondContact O-CG2 3.34Å; G144-V152 PolarHBondContact O-N 3Å; G144-V182 VanDerWaalsContact CA-CG2 3.41Å
145	K	94.9	Very high	90	Very high	83 Å²	83	62.8 Å²	62.8	36%	0.361	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.8	-179.2	-166.9	-179.2	-177.6	-141.3	0	111.7	Y140 E141 G142 Q143 L151	Y140-K145 WeakPolarHBondContact CD2-O 3.37Å; E141-K145 HydrophobicContact CB-CB 4.32Å; E141-K145 HydrophobicContact CB-CD 4.41Å; E141-K145 HydrophobicContact CB-CG 4.41Å; E141-K145 PolarHBondContact N-O 3.13Å; E141-K145 VanDerWaalsContact OE2-CD 3.23Å; E141-K145 WeakPolarHBondContact OE2-CD 3.5Å; E141-K145 WeakPolarHBondContact OE2-CE 3.28Å; E141-K145 IonicContact OE2-NZ 2.94Å; E141-K145 PolarHBondContact OE2-NZ 2.85Å; G142-K145 VanDerWaalsContact O-CB 3.29Å; G142-K145 WeakPolarHBondContact O-CB 3.28Å; G142-K145 PolarHBondContact O-N 2.9Å; Q143-K145 PolarHBondContact O-N 3.42Å; K145-L151 HydrophobicContact CB-CD2 4.13Å
146	L	87.6	Confident	90.1	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.068	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	160	168.6	-68.1	153.9	0	0	0	109.6	L138 V139 Y140 L148 D149 A150 V152 L251	L138-L146 HydrophobicContact CD1-CD2 4.13Å; L138-L146 HydrophobicContact CD2-CD2 3.81Å; L138-L146 HydrophobicContact CG-CD2 3.84Å; V139-L146 WeakPolarHBondContact O-CA 3.2Å; Y140-L146 HydrophobicContact CD2-CD2 3.87Å; Y140-L146 HydrophobicContact CD2-CG 4.21Å; L146-L148 PolarHBondContact O-N 3.32Å; L146-D149 PolarHBondContact O-N 2.82Å; L146-A150 PolarHBondContact N-O 3.27Å; L146-V152 HydrophobicContact CD1-CG1 3.8Å; L146-V152 HydrophobicContact CD1-CG2 4.17Å; L146-L251 HydrophobicContact CD1-CD2 3.38Å
147	C	72.4	Confident	90.3	Very high	56 Å²	56	59.8 Å²	59.8	38%	0.378	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-5.2	-177.9	55.1	0	0	0	0	116.8	L137 V139	L137-C147 PolarHBondContact O-SG 3.35Å; V139-C147 HydrophobicContact CB-CB 4.08Å; V139-C147 PolarHBondContact O-N 2.98Å; V139-C147 VanDerWaalsContact O-N 3.1Å
148	L	64	Low	90.6	Very high	148 Å²	148	52.6 Å²	52.6	78%	0.775	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	24.3	179.4	-64.3	175.3	0	0	0	113.5	L146 A150	L146-L148 PolarHBondContact O-N 3.32Å; L148-A150 PolarHBondContact O-N 3.08Å
149	D	66.3	Low	90.8	Very high	140 Å²	140	52.2 Å²	52.2	75%	0.749	27%	0.27	S	S	*	.	S	Bend	trans	52.5	12	-173.2	-69	-39.2	0	0	0	114.5	L146	L146-D149 PolarHBondContact O-N 2.82Å
150	A	78.2	Confident	90.9	Very high	46 Å²	46	50.9 Å²	50.9	38%	0.38	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-81.1	127.6	175.2	0	0	0	0	0	108.9	L146 L148	L146-A150 PolarHBondContact N-O 3.27Å; L148-A150 PolarHBondContact O-N 3.08Å
151	L	91.8	Very high	90.9	Very high	120 Å²	120	51.2 Å²	51.2	63%	0.628	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-96.4	116.1	167.9	-72.5	173.3	0	0	0	108.6	G144 K145	G144-L151 WeakPolarHBondContact O-CA 3.32Å; K145-L151 HydrophobicContact CB-CD2 4.13Å
152	V	95.2	Very high	91	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.079	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-94.9	137.6	172.9	-61.3	0	0	0	0	109.9	G144 L146 V155 V182 D249 L251	G144-V152 WeakPolarHBondContact CA-O 2.71Å; G144-V152 WeakPolarHBondContact O-CG2 3.34Å; G144-V152 PolarHBondContact O-N 3Å; L146-V152 HydrophobicContact CD1-CG1 3.8Å; L146-V152 HydrophobicContact CD1-CG2 4.17Å; V152-V155 HydrophobicContact CB-CG1 4.49Å; V152-V155 HydrophobicContact CG2-CG1 3.88Å; V152-V182 HydrophobicContact CG2-CG2 4.3Å; V152-D249 CarbonylContact C-O 3.57Å; V152-D249 WeakPolarHBondContact CA-O 3.41Å; V152-L251 HydrophobicContact CG1-CB 3.73Å
153	R	96.8	Very high	91.1	Very high	176 Å²	176	47.4 Å²	47.4	66%	0.664	25%	0.253	S	S	*	.	S	Bend	trans	-95.5	-26.6	169.4	-71.7	-160.3	-179.3	144.2	-9.4	112.5	V182 N183 D249	R153-V182 WeakPolarHBondContact O-CA 3.34Å; R153-N183 PolarHBondContact O-N 3.4Å; R153-N183 PolarHBondContact O-ND2 2.92Å; R153-D249 HydrophobicContact CB-CB 4.26Å; R153-D249 WeakPolarHBondContact CD-OD2 3.38Å; R153-D249 HydrophobicContact CG-CB 4.18Å; R153-D249 WeakPolarHBondContact CG-OD2 3.46Å; R153-D249 PolarHBondContact N-O 3.07Å; R153-D249 IonicContact NE-OD2 3.68Å; R153-D249 IonicContact NH1-OD2 3.27Å
154	S	97.9	Very high	91.2	Very high	19 Å²	19	42 Å²	42	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.3	178.3	-55.5	0	0	0	0	110.8	N183 D249 V250 L251	S154-N183 CarbonylContact C-O 3.58Å; S154-N183 VanDerWaalsContact CA-O 3.22Å; S154-N183 WeakPolarHBondContact CA-O 3.23Å; S154-D249 PolarHBondContact N-O 3.37Å; S154-V250 WeakPolarHBondContact O-CA 3.42Å; S154-L251 PolarHBondContact O-N 2.7Å; S154-L251 VanDerWaalsContact O-N 3.08Å
155	V	98	Very high	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.3	172	-63.3	0	0	0	0	109.4	V152 M157 M174 V182 N183 I184 H185 L251 M253	V152-V155 HydrophobicContact CB-CG1 4.49Å; V152-V155 HydrophobicContact CG2-CG1 3.88Å; V155-M157 HydrophobicContact CB-CE 4.39Å; V155-M157 HydrophobicContact CG2-CE 3.66Å; V155-M174 HydrophobicContact CG1-CE 3.93Å; V155-M174 HydrophobicContact CG2-CE 4.17Å; V155-M174 HydrophobicContact CG2-SD 3.89Å; V155-V182 HydrophobicContact CB-CG1 4.34Å; V155-V182 HydrophobicContact CG1-CG1 3.86Å; V155-V182 HydrophobicContact CG2-CG1 3.78Å; V155-N183 PolarHBondContact N-O 3.37Å; V155-I184 HydrophobicContact CG2-CB 4.25Å; V155-I184 HydrophobicContact CG2-CG1 3.88Å; V155-I184 HydrophobicContact CG2-CG2 4.33Å; V155-H185 PolarHBondContact O-N 3.44Å; V155-L251 CarbonylContact C-O 3.54Å; V155-L251 WeakPolarHBondContact CA-O 3.44Å; V155-L251 HydrophobicContact CG1-CB 4.4Å; V155-M253 HydrophobicContact CB-CE 4.31Å; V155-M253 HydrophobicContact CG1-CE 3.86Å
156	G	98.5	Very high	91.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.8	164.6	0	0	0	0	0	109.2	H185 M243 L251 I252 M253	G156-H185 CarbonylContact C-O 3.6Å; G156-H185 WeakPolarHBondContact CA-O 3.34Å; G156-M243 WeakPolarHBondContact CA-SD 3.27Å; G156-L251 PolarHBondContact N-O 2.81Å; G156-I252 CarbonylContact O-C 3.47Å; G156-I252 VanDerWaalsContact O-CA 3.26Å; G156-I252 WeakPolarHBondContact O-CA 3.31Å; G156-M253 PolarHBondContact O-N 2.98Å
157	M	98.8	Very high	92.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.3	-177.5	-62.5	-174.7	180	0	0	108.5	V155 M167 V170 M171 M174 I184 H185 L186 L187 M243 M253	V155-M157 HydrophobicContact CB-CE 4.39Å; V155-M157 HydrophobicContact CG2-CE 3.66Å; M157-M167 HydrophobicContact CB-CB 4.47Å; M157-M167 HydrophobicContact CB-CG 4.17Å; M157-M167 HydrophobicContact CB-SD 3.86Å; M157-M167 HydrophobicContact CG-SD 3.9Å; M157-M167 HydrophobicContact SD-CB 3.74Å; M157-M167 HydrophobicContact SD-CG 4.28Å; M157-M167 HydrophobicContact SD-SD 4.03Å; M157-V170 HydrophobicContact CE-CB 4.15Å; M157-V170 HydrophobicContact CE-CG1 3.8Å; M157-M171 HydrophobicContact CE-CG 3.8Å; M157-M171 HydrophobicContact SD-CG 3.59Å; M157-M171 VanDerWaalsContact SD-CG 3.59Å; M157-M171 HydrophobicContact SD-SD 3.93Å; M157-M174 HydrophobicContact CE-SD 4.33Å; M157-I184 HydrophobicContact CE-CG2 4.28Å; M157-I184 HydrophobicContact SD-CG2 4.23Å; M157-H185 PolarHBondContact N-O 3.23Å; M157-L186 HydrophobicContact CB-CB 4.48Å; M157-L186 HydrophobicContact CB-CD1 3.76Å; M157-L186 CarbonylContact O-C 3.55Å; M157-L186 WeakPolarHBondContact O-CA 3.37Å; M157-L187 PolarHBondContact O-N 3.13Å; M157-M243 WeakPolarHBondContact O-CE 3.21Å; M157-M253 CarbonylContact C-O 3.27Å; M157-M253 WeakPolarHBondContact CA-O 3.12Å; M157-M253 HydrophobicContact CE-SD 4.22Å
158	I	98.8	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	106.6	177.1	-53.4	171.8	0	0	0	107.8	L187 I234 L239 M243 I252 M253 M254 C255 M260 A265 L269	I158-L187 WeakPolarHBondContact CA-O 3.48Å; I158-I234 HydrophobicContact CG2-CD1 3.41Å; I158-I234 VanDerWaalsContact CG2-CD1 3.41Å; I158-L239 HydrophobicContact CD1-CD1 4.13Å; I158-L239 HydrophobicContact CD1-CD2 3.59Å; I158-L239 HydrophobicContact CG1-CD2 4.07Å; I158-M243 HydrophobicContact CG1-CE 4.31Å; I158-M243 HydrophobicContact CG1-SD 4.45Å; I158-I252 HydrophobicContact CD1-CG2 4.04Å; I158-I252 HydrophobicContact CG1-CG2 4.44Å; I158-M253 PolarHBondContact N-O 3.37Å; I158-M254 HydrophobicContact CB-CG 4.06Å; I158-M254 HydrophobicContact CD1-CG 4.2Å; I158-M254 HydrophobicContact CD1-SD 4.09Å; I158-M254 HydrophobicContact CG1-CG 4.46Å; I158-M254 VanDerWaalsContact O-CA 3.32Å; I158-M254 WeakPolarHBondContact O-CA 3.2Å; I158-C255 PolarHBondContact O-N 3.07Å; I158-C255 VanDerWaalsContact O-N 3.08Å; I158-M260 HydrophobicContact CG2-CE 4.27Å; I158-A265 HydrophobicContact CD1-CB 4.16Å; I158-A265 HydrophobicContact CG2-CB 4.13Å; I158-L269 HydrophobicContact CD1-CD1 4.14Å; I158-L269 HydrophobicContact CD1-CD2 4.34Å; I158-L269 HydrophobicContact CD1-CG 4.38Å
159	A	98.8	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.5	-176.8	0	0	0	0	0	111.3	I164 M167 L186 L187 F188 A189 C255	A159-I164 HydrophobicContact CB-CB 4.36Å; A159-I164 HydrophobicContact CB-CD1 4.02Å; A159-M167 HydrophobicContact CB-CG 4.15Å; A159-L186 HydrophobicContact CB-CD1 4.06Å; A159-L187 PolarHBondContact N-O 3.09Å; A159-F188 HydrophobicContact CB-CD2 3.53Å; A159-F188 HydrophobicContact CB-CE2 4Å; A159-F188 HydrophobicContact CB-CG 4.28Å; A159-F188 WeakPolarHBondContact O-CD2 3.45Å; A159-A189 PolarHBondContact O-N 2.86Å; A159-C255 CarbonylContact C-O 3.55Å; A159-C255 WeakPolarHBondContact CA-O 3.47Å
160	G	98.1	Very high	96.5	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.4	172.8	0	0	0	0	0	111.9	S162 G163 A189 C255 M260	G160-S162 PolarHBondContact O-N 3.4Å; G160-G163 PolarHBondContact O-N 3.25Å; G160-A189 WeakPolarHBondContact CA-O 3.43Å; G160-C255 PolarHBondContact N-O 3.4Å; G160-M260 WeakPolarHBondContact CA-SD 3.37Å
161	G	95.3	Very high	97.4	Very high	17 Å²	17	21.5 Å²	21.5	18%	0.175	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	52.5	-118	179.6	0	0	0	0	0	113.4	G163 I164 F188 A189	G161-G163 PolarHBondContact O-N 2.83Å; G161-I164 WeakPolarHBondContact O-CG2 3.44Å; G161-I164 PolarHBondContact O-N 2.85Å; G161-F188 WeakPolarHBondContact O-CE2 3.22Å; G161-F188 VanDerWaalsContact O-CZ 3.27Å; G161-F188 WeakPolarHBondContact O-CZ 3.46Å; G161-A189 PolarHBondContact N-O 2.84Å
162	S	94.9	Very high	97.7	Very high	44 Å²	44	16.3 Å²	16.3	31%	0.308	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-69.1	-11.3	178.7	52.7	0	0	0	0	114.6	Y102 G160 I164 T165	Y102-S162 PolarHBondContact OH-OG 2.94Å; G160-S162 PolarHBondContact O-N 3.4Å; S162-I164 PolarHBondContact O-N 3.45Å; S162-I164 VanDerWaalsContact O-N 3.09Å; S162-T165 PolarHBondContact O-N 3.27Å; S162-T165 PolarHBondContact O-OG1 2.88Å; S162-T165 VanDerWaalsContact O-OG1 3.12Å
163	G	96.9	Very high	97.7	Very high	4 Å²	4	16.4 Å²	16.4	4%	0.041	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-64.5	-5.4	174.1	0	0	0	0	0	114.6	G160 G161 T165 P166 C255	G160-G163 PolarHBondContact O-N 3.25Å; G161-G163 PolarHBondContact O-N 2.83Å; G163-T165 VanDerWaalsContact C-N 3.27Å; G163-T165 PolarHBondContact O-N 2.9Å; G163-P166 WeakPolarHBondContact O-CD 3.42Å; G163-P166 WeakPolarHBondContact O-CG 3.43Å; G163-C255 WeakPolarHBondContact O-CB 3.37Å
164	I	98.2	Very high	97.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.7	-27.1	172.7	-169.4	60	0	0	0	113.5	A159 G161 S162 M167 Y168 L186 F188 L197 L198 L202	A159-I164 HydrophobicContact CB-CB 4.36Å; A159-I164 HydrophobicContact CB-CD1 4.02Å; G161-I164 WeakPolarHBondContact O-CG2 3.44Å; G161-I164 PolarHBondContact O-N 2.85Å; S162-I164 PolarHBondContact O-N 3.45Å; S162-I164 VanDerWaalsContact O-N 3.09Å; I164-M167 HydrophobicContact CD1-CB 4.24Å; I164-M167 WeakPolarHBondContact O-CB 3.41Å; I164-M167 PolarHBondContact O-N 3.24Å; I164-M167 VanDerWaalsContact O-N 3.09Å; I164-Y168 WeakPolarHBondContact O-CB 3.2Å; I164-Y168 PolarHBondContact O-N 3.25Å; I164-L186 HydrophobicContact CD1-CD1 4.06Å; I164-L186 HydrophobicContact CD1-CD2 3.7Å; I164-F188 HydrophobicContact CB-CD2 4.43Å; I164-F188 HydrophobicContact CB-CE1 3.95Å; I164-F188 HydrophobicContact CB-CE2 3.71Å; I164-F188 HydrophobicContact CB-CZ 3.44Å; I164-F188 VanDerWaalsContact CB-CZ 3.44Å; I164-F188 HydrophobicContact CD1-CD1 4Å; I164-F188 HydrophobicContact CD1-CD2 4.37Å; I164-F188 HydrophobicContact CD1-CE1 4.07Å; I164-F188 HydrophobicContact CD1-CE2 4.43Å; I164-F188 HydrophobicContact CD1-CG 4.17Å; I164-F188 HydrophobicContact CD1-CZ 4.3Å; I164-F188 HydrophobicContact CG1-CD1 4.26Å; I164-F188 HydrophobicContact CG1-CE1 3.82Å; I164-F188 HydrophobicContact CG1-CE2 4.34Å; I164-F188 HydrophobicContact CG1-CZ 3.87Å; I164-F188 HydrophobicContact CG2-CE1 4.31Å; I164-F188 HydrophobicContact CG2-CE2 4.34Å; I164-F188 HydrophobicContact CG2-CZ 3.72Å; I164-L197 HydrophobicContact CG2-CB 3.9Å; I164-L198 HydrophobicContact CG2-CD1 4.48Å; I164-L202 HydrophobicContact CD1-CD1 3.9Å; I164-L202 HydrophobicContact CD1-CD2 4.24Å; I164-L202 HydrophobicContact CG1-CD1 4.01Å
165	T	98.2	Very high	97.7	Very high	18 Å²	18	7.6 Å²	7.6	11%	0.11	5%	0.051	C	C	.	.	H	α-helix	trans	-59.8	-45.8	-171.9	52.3	0	0	0	0	115.1	V86 S162 G163 M167 Q169	V86-T165 HydrophobicContact CG1-CG2 4.08Å; S162-T165 PolarHBondContact O-N 3.27Å; S162-T165 PolarHBondContact O-OG1 2.88Å; S162-T165 VanDerWaalsContact O-OG1 3.12Å; G163-T165 VanDerWaalsContact C-N 3.27Å; G163-T165 PolarHBondContact O-N 2.9Å; T165-M167 VanDerWaalsContact C-N 3.35Å; T165-Q169 PolarHBondContact O-N 3.43Å; T165-Q169 VanDerWaalsContact O-N 3.12Å
166	P	98.1	Very high	97.5	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-63.3	-37.7	171.2	24.5	-34.8	0	0	0	113.3	G163 Q169 V170 C255 F282	G163-P166 WeakPolarHBondContact O-CD 3.42Å; G163-P166 WeakPolarHBondContact O-CG 3.43Å; P166-Q169 PolarHBondContact O-N 3.27Å; P166-V170 WeakPolarHBondContact O-CG2 3.29Å; P166-V170 PolarHBondContact O-N 2.94Å; P166-V170 VanDerWaalsContact O-N 3.16Å; P166-C255 HydrophobicContact CG-CB 3.74Å; P166-F282 HydrophobicContact CB-CB 4.44Å; P166-F282 HydrophobicContact CB-CD1 3.63Å; P166-F282 HydrophobicContact CB-CD2 3.84Å; P166-F282 HydrophobicContact CB-CE1 3.7Å; P166-F282 HydrophobicContact CB-CE2 3.87Å; P166-F282 HydrophobicContact CB-CG 3.71Å; P166-F282 HydrophobicContact CB-CZ 3.82Å; P166-F282 HydrophobicContact CG-CB 4.29Å; P166-F282 HydrophobicContact CG-CD1 4.37Å; P166-F282 HydrophobicContact CG-CD2 3.98Å; P166-F282 HydrophobicContact CG-CE2 4.37Å; P166-F282 HydrophobicContact CG-CG 3.97Å
167	M	98.5	Very high	97.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-48.6	177.9	-54.7	-50.3	171.1	0	0	110.6	M157 A159 I164 T165 Q169 V170 M171 M253 C255 F282	M157-M167 HydrophobicContact CB-CB 4.47Å; M157-M167 HydrophobicContact CB-CG 4.17Å; M157-M167 HydrophobicContact CB-SD 3.86Å; M157-M167 HydrophobicContact CG-SD 3.9Å; M157-M167 HydrophobicContact SD-CB 3.74Å; M157-M167 HydrophobicContact SD-CG 4.28Å; M157-M167 HydrophobicContact SD-SD 4.03Å; A159-M167 HydrophobicContact CB-CG 4.15Å; I164-M167 HydrophobicContact CD1-CB 4.24Å; I164-M167 WeakPolarHBondContact O-CB 3.41Å; I164-M167 PolarHBondContact O-N 3.24Å; I164-M167 VanDerWaalsContact O-N 3.09Å; T165-M167 VanDerWaalsContact C-N 3.35Å; M167-Q169 VanDerWaalsContact C-N 3.32Å; M167-Q169 PolarHBondContact O-N 2.69Å; M167-V170 PolarHBondContact O-N 3.01Å; M167-V170 VanDerWaalsContact O-N 3.14Å; M167-M171 WeakPolarHBondContact O-CB 3.5Å; M167-M171 WeakPolarHBondContact O-CG 3.44Å; M167-M171 PolarHBondContact O-N 2.81Å; M167-M253 VanDerWaalsContact CE-C 3.49Å; M167-M253 HydrophobicContact CE-CB 3.86Å; M167-M253 WeakPolarHBondContact CE-O 3.38Å; M167-M253 HydrophobicContact SD-CB 3.81Å; M167-C255 HydrophobicContact CE-CB 3.82Å; M167-F282 HydrophobicContact CE-CD2 3.72Å; M167-F282 HydrophobicContact CE-CE2 3.7Å; M167-F282 HydrophobicContact SD-CD2 4.32Å; M167-F282 HydrophobicContact SD-CE2 3.72Å
168	Y	98.6	Very high	97	Very high	22 Å²	22	19.6 Å²	19.6	9%	0.086	11%	0.113	C	C	.	.	H	α-helix	trans	-58.1	-42.6	178.7	-177	-103.2	0	0	0	112.2	V86 I164 V170 M171 Q172 L198 E201 L202 M205	V86-Y168 HydrophobicContact CB-CD1 3.95Å; V86-Y168 HydrophobicContact CB-CE1 3.86Å; V86-Y168 HydrophobicContact CG1-CD1 4.05Å; V86-Y168 HydrophobicContact CG1-CE1 4.39Å; I164-Y168 WeakPolarHBondContact O-CB 3.2Å; I164-Y168 PolarHBondContact O-N 3.25Å; Y168-V170 PolarHBondContact O-N 3.47Å; Y168-M171 PolarHBondContact O-N 3.39Å; Y168-Q172 HydrophobicContact CD1-CG 4.36Å; Y168-Q172 HydrophobicContact CE1-CG 4.05Å; Y168-Q172 WeakPolarHBondContact O-CG 3.36Å; Y168-Q172 PolarHBondContact O-N 3.14Å; Y168-Q172 PolarHBondContact OH-NE2 3.36Å; Y168-L198 HydrophobicContact CD1-CD1 3.78Å; Y168-L198 HydrophobicContact CD2-CD1 3.88Å; Y168-L198 HydrophobicContact CE1-CD1 4.13Å; Y168-L198 HydrophobicContact CE2-CD1 4.27Å; Y168-L198 HydrophobicContact CG-CD1 3.63Å; Y168-E201 HydrophobicContact CE2-CB 3.79Å; Y168-L202 HydrophobicContact CD2-CD2 4.08Å; Y168-M205 HydrophobicContact CD2-CE 3.91Å; Y168-M205 HydrophobicContact CD2-SD 4.31Å; Y168-M205 HydrophobicContact CE2-CE 3.31Å; Y168-M205 HydrophobicContact CE2-SD 4.08Å
169	Q	98.3	Very high	96.8	Very high	11 Å²	11	27 Å²	27	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-45	175.7	-175.9	-169	75.2	0	0	112.2	I64 Q66 T84 T165 P166 M167 A173	I64-Q169 HydrophobicContact CD1-CG 4.4Å; Q66-Q169 PolarHBondContact O-NE2 2.92Å; Q66-Q169 PolarHBondContact O-OE1 3.14Å; T84-Q169 HydrophobicContact CG2-CB 3.86Å; T84-Q169 HydrophobicContact CG2-CG 4.26Å; T165-Q169 PolarHBondContact O-N 3.43Å; T165-Q169 VanDerWaalsContact O-N 3.12Å; P166-Q169 PolarHBondContact O-N 3.27Å; M167-Q169 VanDerWaalsContact C-N 3.32Å; M167-Q169 PolarHBondContact O-N 2.69Å; Q169-A173 PolarHBondContact O-N 2.89Å
170	V	97.7	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-43.1	178.1	176	0	0	0	0	110.9	I64 M157 P166 M167 Y168 Q172 A173 M174 M253 F282	I64-V170 HydrophobicContact CG2-CB 4.45Å; I64-V170 HydrophobicContact CG2-CG2 4.06Å; M157-V170 HydrophobicContact CE-CB 4.15Å; M157-V170 HydrophobicContact CE-CG1 3.8Å; P166-V170 WeakPolarHBondContact O-CG2 3.29Å; P166-V170 PolarHBondContact O-N 2.94Å; P166-V170 VanDerWaalsContact O-N 3.16Å; M167-V170 PolarHBondContact O-N 3.01Å; M167-V170 VanDerWaalsContact O-N 3.14Å; Y168-V170 PolarHBondContact O-N 3.47Å; V170-Q172 PolarHBondContact O-N 3.17Å; V170-A173 WeakPolarHBondContact O-CB 3.26Å; V170-A173 PolarHBondContact O-N 3.29Å; V170-M174 HydrophobicContact CG1-CE 3.37Å; V170-M174 HydrophobicContact CG1-CG 4.41Å; V170-M174 HydrophobicContact CG1-SD 3.76Å; V170-M174 WeakPolarHBondContact O-CG 3.43Å; V170-M174 PolarHBondContact O-N 3.37Å; V170-M253 HydrophobicContact CG1-CE 4.19Å; V170-M253 HydrophobicContact CG1-SD 4.34Å; V170-F282 HydrophobicContact CG2-CZ 4.27Å
171	M	98.3	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-44.9	176.5	-70.1	174.1	67.1	0	0	112	M157 M167 Y168 A173 M174 L175 I184 L186 L202 M205 I215	M157-M171 HydrophobicContact CE-CG 3.8Å; M157-M171 HydrophobicContact SD-CG 3.59Å; M157-M171 VanDerWaalsContact SD-CG 3.59Å; M157-M171 HydrophobicContact SD-SD 3.93Å; M167-M171 WeakPolarHBondContact O-CB 3.5Å; M167-M171 WeakPolarHBondContact O-CG 3.44Å; M167-M171 PolarHBondContact O-N 2.81Å; Y168-M171 PolarHBondContact O-N 3.39Å; M171-A173 VanDerWaalsContact C-N 3.29Å; M171-A173 PolarHBondContact O-N 3.02Å; M171-M174 PolarHBondContact O-N 3.01Å; M171-L175 WeakPolarHBondContact O-CB 3.43Å; M171-L175 VanDerWaalsContact O-CG 3.32Å; M171-L175 WeakPolarHBondContact O-CG 3.38Å; M171-L175 PolarHBondContact O-N 2.79Å; M171-I184 HydrophobicContact CB-CD1 4.48Å; M171-I184 HydrophobicContact CE-CG2 4.16Å; M171-I184 HydrophobicContact CG-CD1 4.31Å; M171-I184 HydrophobicContact CG-CG2 3.93Å; M171-I184 HydrophobicContact SD-CG2 4.32Å; M171-L186 HydrophobicContact CE-CD2 4.37Å; M171-L186 HydrophobicContact SD-CD2 4.06Å; M171-L202 HydrophobicContact CE-CD2 3.86Å; M171-L202 HydrophobicContact SD-CD2 4.04Å; M171-M205 HydrophobicContact CB-SD 4.22Å; M171-M205 HydrophobicContact CE-SD 4.12Å; M171-I215 HydrophobicContact CE-CD1 4.07Å
172	Q	97.6	Very high	96.7	Very high	11 Å²	11	30.3 Å²	30.3	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-55.6	-45.8	174.9	-79.7	-172.1	-5.1	0	0	111.4	V86 Q88 Y168 V170 R176 M205	V86-Q172 PolarHBondContact O-NE2 3.49Å; Q88-Q172 VanDerWaalsContact NE2-NE2 3.16Å; Y168-Q172 HydrophobicContact CD1-CG 4.36Å; Y168-Q172 HydrophobicContact CE1-CG 4.05Å; Y168-Q172 WeakPolarHBondContact O-CG 3.36Å; Y168-Q172 PolarHBondContact O-N 3.14Å; Y168-Q172 PolarHBondContact OH-NE2 3.36Å; V170-Q172 PolarHBondContact O-N 3.17Å; Q172-R176 WeakPolarHBondContact O-CB 3.4Å; Q172-R176 PolarHBondContact O-N 2.81Å; Q172-R176 VanDerWaalsContact O-N 3.12Å; Q172-M205 HydrophobicContact CB-CE 4.42Å; Q172-M205 HydrophobicContact CG-CE 3.45Å; Q172-M205 VanDerWaalsContact CG-CE 3.45Å
173	A	96.5	Very high	96.9	Very high	15 Å²	15	30.9 Å²	30.9	12%	0.124	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-46	-179.4	0	0	0	0	0	112.1	I64 Y140 Q169 V170 M171	I64-A173 HydrophobicContact CB-CB 4.37Å; I64-A173 HydrophobicContact CD1-CB 3.94Å; I64-A173 HydrophobicContact CG1-CB 3.83Å; I64-A173 HydrophobicContact CG2-CB 3.69Å; Y140-A173 HydrophobicContact CD1-CB 4.17Å; Q169-A173 PolarHBondContact O-N 2.89Å; V170-A173 WeakPolarHBondContact O-CB 3.26Å; V170-A173 PolarHBondContact O-N 3.29Å; M171-A173 VanDerWaalsContact C-N 3.29Å; M171-A173 PolarHBondContact O-N 3.02Å
174	M	96.8	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-40.5	179.8	-71.7	170.4	175.1	0	0	113.1	Y140 V155 M157 V170 M171 D180 V182 I184 M253	Y140-M174 HydrophobicContact CD1-CE 4.39Å; Y140-M174 HydrophobicContact CD1-CG 4.16Å; Y140-M174 HydrophobicContact CD2-CE 3.78Å; Y140-M174 HydrophobicContact CE1-CB 4.41Å; Y140-M174 HydrophobicContact CE1-CE 4.12Å; Y140-M174 HydrophobicContact CE1-CG 3.41Å; Y140-M174 VanDerWaalsContact CE1-CG 3.41Å; Y140-M174 HydrophobicContact CE2-CE 3.47Å; Y140-M174 VanDerWaalsContact CE2-CE 3.47Å; Y140-M174 HydrophobicContact CE2-CG 4.32Å; Y140-M174 HydrophobicContact CG-CE 4.23Å; V155-M174 HydrophobicContact CG1-CE 3.93Å; V155-M174 HydrophobicContact CG2-CE 4.17Å; V155-M174 HydrophobicContact CG2-SD 3.89Å; M157-M174 HydrophobicContact CE-SD 4.33Å; V170-M174 HydrophobicContact CG1-CE 3.37Å; V170-M174 HydrophobicContact CG1-CG 4.41Å; V170-M174 HydrophobicContact CG1-SD 3.76Å; V170-M174 WeakPolarHBondContact O-CG 3.43Å; V170-M174 PolarHBondContact O-N 3.37Å; M171-M174 PolarHBondContact O-N 3.01Å; M174-D180 VanDerWaalsContact O-CB 3.3Å; M174-D180 WeakPolarHBondContact O-CB 3.45Å; M174-V182 HydrophobicContact CE-CG1 4.21Å; M174-V182 HydrophobicContact SD-CB 4.39Å; M174-V182 HydrophobicContact SD-CG1 4.01Å; M174-I184 HydrophobicContact CB-CD1 3.85Å; M174-I184 HydrophobicContact SD-CD1 3.98Å; M174-I184 HydrophobicContact SD-CG1 4.04Å; M174-M253 HydrophobicContact CE-CE 4.44Å
175	L	96.9	Very high	97	Very high	11 Å²	11	32 Å²	32	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-82.3	-24.1	-174.3	-66.5	178	0	0	0	113.1	M171 I184 M205 H209 C213	M171-L175 WeakPolarHBondContact O-CB 3.43Å; M171-L175 VanDerWaalsContact O-CG 3.32Å; M171-L175 WeakPolarHBondContact O-CG 3.38Å; M171-L175 PolarHBondContact O-N 2.79Å; L175-I184 HydrophobicContact CD1-CD1 4.19Å; L175-I184 HydrophobicContact CD2-CD1 3.72Å; L175-I184 HydrophobicContact CG-CD1 3.71Å; L175-M205 HydrophobicContact CD1-CB 3.74Å; L175-M205 HydrophobicContact CD1-CG 3.95Å; L175-M205 HydrophobicContact CD1-SD 4.11Å; L175-H209 HydrophobicContact CD2-CB 3.87Å; L175-H209 PolarHBondContact O-CE1 2.9Å; L175-C213 HydrophobicContact CD1-CB 4.3Å; L175-C213 HydrophobicContact CD2-CB 4.25Å
176	R	93.5	Very high	97	Very high	106 Å²	106	31.3 Å²	31.3	40%	0.4	16%	0.164	S	C	.	.	H	α-helix	trans	-78	-30.5	179.6	-173.7	178.1	68.8	178.9	12.5	113.4	S89 D90 Q172 P178	S89-R176 PolarHBondContact OG-NH2 3.15Å; S89-R176 VanDerWaalsContact OG-NH2 3.14Å; D90-R176 VanDerWaalsContact CG-NH1 3.28Å; D90-R176 IonicContact OD1-CZ 3.21Å; D90-R176 IonicContact OD1-NH1 2.78Å; D90-R176 PolarHBondContact OD1-NH1 3.44Å; D90-R176 IonicContact OD1-NH2 2.77Å; D90-R176 IonicContact OD2-CZ 3.83Å; D90-R176 IonicContact OD2-NH1 3.51Å; D90-R176 PolarHBondContact OD2-NH1 2.93Å; D90-R176 IonicContact OD2-NH2 2.81Å; Q172-R176 WeakPolarHBondContact O-CB 3.4Å; Q172-R176 PolarHBondContact O-N 2.81Å; Q172-R176 VanDerWaalsContact O-N 3.12Å; R176-P178 VanDerWaalsContact O-CD 3.31Å; R176-P178 WeakPolarHBondContact O-CD 3.18Å
177	D	93.7	Very high	97	Very high	41 Å²	41	31.1 Å²	31.1	22%	0.219	16%	0.162	C	C	.	.			trans	-78.6	114.2	175.9	179.6	5.5	0	0	0	109.9	F179 D180	D177-F179 PolarHBondContact O-N 2.78Å; D177-F179 WeakPolarHBondContact OD1-CB 3.37Å; D177-F179 PolarHBondContact OD1-N 2.92Å; D177-D180 HydrophobicContact CB-CB 3.84Å; D177-D180 WeakPolarHBondContact O-CB 3.45Å; D177-D180 PolarHBondContact O-N 2.75Å; D177-D180 VanDerWaalsContact O-N 3.13Å
178	P	92.5	Very high	97.1	Very high	105 Å²	105	31.1 Å²	31.1	68%	0.682	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.9	179.5	29.1	-36.4	0	0	0	113.5	R176	R176-P178 VanDerWaalsContact O-CD 3.31Å; R176-P178 WeakPolarHBondContact O-CD 3.18Å
179	F	95.1	Very high	97.1	Very high	156 Å²	156	30.8 Å²	30.8	68%	0.684	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-8	176.5	-58.2	-69.9	0	0	0	113	Q143 D177	Q143-F179 HydrophobicContact CG-CB 4.37Å; D177-F179 PolarHBondContact O-N 2.78Å; D177-F179 WeakPolarHBondContact OD1-CB 3.37Å; D177-F179 PolarHBondContact OD1-N 2.92Å
180	D	96.2	Very high	97	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.164	C	C	.	.			trans	-78.6	129.3	175.9	-161.2	-43.5	0	0	0	110.2	Y140 Q143 M174 D177 V182 R212	Y140-D180 WeakPolarHBondContact CE1-OD2 3.33Å; Y140-D180 PolarHBondContact OH-OD1 2.8Å; Y140-D180 PolarHBondContact OH-OD2 2.99Å; Q143-D180 PolarHBondContact N-OD2 3.32Å; M174-D180 VanDerWaalsContact O-CB 3.3Å; M174-D180 WeakPolarHBondContact O-CB 3.45Å; D177-D180 HydrophobicContact CB-CB 3.84Å; D177-D180 WeakPolarHBondContact O-CB 3.45Å; D177-D180 PolarHBondContact O-N 2.75Å; D177-D180 VanDerWaalsContact O-N 3.13Å; D180-V182 WeakPolarHBondContact OD1-CB 3.42Å; D180-V182 VanDerWaalsContact OD1-CG2 3.31Å; D180-V182 WeakPolarHBondContact OD1-CG2 3.32Å; D180-V182 PolarHBondContact OD1-N 2.84Å; D180-R212 PolarHBondContact O-NH1 3.09Å
181	S	96.2	Very high	96.9	Very high	85 Å²	85	36.4 Å²	36.4	59%	0.594	19%	0.189	S	C	*	.			trans	-117.3	10.3	-176.2	67.5	0	0	0	0	113.3	N183	S181-N183 PolarHBondContact O-N 3.14Å
182	V	97.9	Very high	96.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.189	C	C	.	.			trans	-62.1	132.6	179.7	176.4	0	0	0	0	110	G144 V152 R153 V155 M174 D180	G144-V182 VanDerWaalsContact CA-CG2 3.41Å; V152-V182 HydrophobicContact CG2-CG2 4.3Å; R153-V182 WeakPolarHBondContact O-CA 3.34Å; V155-V182 HydrophobicContact CB-CG1 4.34Å; V155-V182 HydrophobicContact CG1-CG1 3.86Å; V155-V182 HydrophobicContact CG2-CG1 3.78Å; M174-V182 HydrophobicContact CE-CG1 4.21Å; M174-V182 HydrophobicContact SD-CB 4.39Å; M174-V182 HydrophobicContact SD-CG1 4.01Å; D180-V182 WeakPolarHBondContact OD1-CB 3.42Å; D180-V182 VanDerWaalsContact OD1-CG2 3.31Å; D180-V182 WeakPolarHBondContact OD1-CG2 3.32Å; D180-V182 PolarHBondContact OD1-N 2.84Å
183	N	98.3	Very high	96.6	Very high	56 Å²	56	36.7 Å²	36.7	30%	0.299	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130	169.7	-59.8	-71.1	0	0	0	109.8	R153 S154 V155 S181 R212	R153-N183 PolarHBondContact O-N 3.4Å; R153-N183 PolarHBondContact O-ND2 2.92Å; S154-N183 CarbonylContact C-O 3.58Å; S154-N183 VanDerWaalsContact CA-O 3.22Å; S154-N183 WeakPolarHBondContact CA-O 3.23Å; V155-N183 PolarHBondContact N-O 3.37Å; S181-N183 PolarHBondContact O-N 3.14Å; N183-R212 CarbonylContact C-O 3.55Å
184	I	98.7	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.9	-176.1	-56.5	173.4	0	0	0	108.4	V155 M157 M171 M174 L175 R212 K214	V155-I184 HydrophobicContact CG2-CB 4.25Å; V155-I184 HydrophobicContact CG2-CG1 3.88Å; V155-I184 HydrophobicContact CG2-CG2 4.33Å; M157-I184 HydrophobicContact CE-CG2 4.28Å; M157-I184 HydrophobicContact SD-CG2 4.23Å; M171-I184 HydrophobicContact CB-CD1 4.48Å; M171-I184 HydrophobicContact CE-CG2 4.16Å; M171-I184 HydrophobicContact CG-CD1 4.31Å; M171-I184 HydrophobicContact CG-CG2 3.93Å; M171-I184 HydrophobicContact SD-CG2 4.32Å; M174-I184 HydrophobicContact CB-CD1 3.85Å; M174-I184 HydrophobicContact SD-CD1 3.98Å; M174-I184 HydrophobicContact SD-CG1 4.04Å; L175-I184 HydrophobicContact CD1-CD1 4.19Å; L175-I184 HydrophobicContact CD2-CD1 3.72Å; L175-I184 HydrophobicContact CG-CD1 3.71Å; I184-R212 PolarHBondContact N-O 3.47Å; I184-K214 PolarHBondContact O-N 3.38Å
185	H	98.8	Very high	96.2	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.13	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.2	172.4	-70.5	-116.8	0	0	0	108.4	V155 G156 M157 K214 H242 M243	V155-H185 PolarHBondContact O-N 3.44Å; G156-H185 CarbonylContact C-O 3.6Å; G156-H185 WeakPolarHBondContact CA-O 3.34Å; M157-H185 PolarHBondContact N-O 3.23Å; H185-K214 CarbonylContact C-O 3.4Å; H185-K214 WeakPolarHBondContact CA-O 3.5Å; H185-H242 WeakPolarHBondContact CB-O 3.18Å; H185-H242 PolarHBondContact ND1-O 3.12Å; H185-M243 HydrophobicContact CB-CE 4.46Å; H185-M243 HydrophobicContact CB-SD 4.23Å
186	L	98.9	Very high	96.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.3	177.4	173.8	64.4	0	0	0	109.8	M157 A159 I164 M171 F188 L202 K214 I215 W216	M157-L186 HydrophobicContact CB-CB 4.48Å; M157-L186 HydrophobicContact CB-CD1 3.76Å; M157-L186 CarbonylContact O-C 3.55Å; M157-L186 WeakPolarHBondContact O-CA 3.37Å; A159-L186 HydrophobicContact CB-CD1 4.06Å; I164-L186 HydrophobicContact CD1-CD1 4.06Å; I164-L186 HydrophobicContact CD1-CD2 3.7Å; M171-L186 HydrophobicContact CE-CD2 4.37Å; M171-L186 HydrophobicContact SD-CD2 4.06Å; L186-F188 HydrophobicContact CD1-CB 4.36Å; L186-F188 HydrophobicContact CD2-CB 4.4Å; L186-F188 HydrophobicContact CG-CB 4.2Å; L186-L202 HydrophobicContact CD2-CD1 4.18Å; L186-L202 HydrophobicContact CD2-CD2 3.8Å; L186-K214 PolarHBondContact N-O 2.91Å; L186-I215 HydrophobicContact CB-CG1 4.24Å; L186-I215 HydrophobicContact CB-CG2 4.3Å; L186-I215 HydrophobicContact CD2-CD1 4.38Å; L186-I215 HydrophobicContact CD2-CG1 4.4Å; L186-I215 HydrophobicContact CD2-CG2 3.91Å; L186-I215 HydrophobicContact CG-CG2 4.22Å; L186-I215 CarbonylContact O-C 3.59Å; L186-I215 WeakPolarHBondContact O-CA 3.41Å; L186-W216 PolarHBondContact O-N 3.32Å
187	L	98.9	Very high	96.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.7	162.4	179.2	61.2	0	0	0	107.7	M157 I158 A159 W216 I234 M238 L239 M243	M157-L187 PolarHBondContact O-N 3.13Å; I158-L187 WeakPolarHBondContact CA-O 3.48Å; A159-L187 PolarHBondContact N-O 3.09Å; L187-W216 WeakPolarHBondContact CA-O 3.37Å; L187-W216 HydrophobicContact CD1-CB 4.15Å; L187-W216 HydrophobicContact CD1-CG 4.33Å; L187-I234 HydrophobicContact CD2-CG1 3.89Å; L187-I234 HydrophobicContact CD2-CG2 4.05Å; L187-I234 HydrophobicContact CG-CG1 4.38Å; L187-M238 HydrophobicContact CD2-CB 4.07Å; L187-L239 HydrophobicContact CD2-CD2 3.61Å; L187-M243 HydrophobicContact CB-CE 3.32Å; L187-M243 VanDerWaalsContact N-CE 3.27Å
188	F	98.8	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.4	-175.1	-170.2	-162.6	0	0	0	111.3	A159 G161 I164 L186 N190 I196 L197 L202 W216 Y217 T218	A159-F188 HydrophobicContact CB-CD2 3.53Å; A159-F188 HydrophobicContact CB-CE2 4Å; A159-F188 HydrophobicContact CB-CG 4.28Å; A159-F188 WeakPolarHBondContact O-CD2 3.45Å; G161-F188 WeakPolarHBondContact O-CE2 3.22Å; G161-F188 VanDerWaalsContact O-CZ 3.27Å; G161-F188 WeakPolarHBondContact O-CZ 3.46Å; I164-F188 HydrophobicContact CB-CD2 4.43Å; I164-F188 HydrophobicContact CB-CE1 3.95Å; I164-F188 HydrophobicContact CB-CE2 3.71Å; I164-F188 HydrophobicContact CB-CZ 3.44Å; I164-F188 VanDerWaalsContact CB-CZ 3.44Å; I164-F188 HydrophobicContact CD1-CD1 4Å; I164-F188 HydrophobicContact CD1-CD2 4.37Å; I164-F188 HydrophobicContact CD1-CE1 4.07Å; I164-F188 HydrophobicContact CD1-CE2 4.43Å; I164-F188 HydrophobicContact CD1-CG 4.17Å; I164-F188 HydrophobicContact CD1-CZ 4.3Å; I164-F188 HydrophobicContact CG1-CD1 4.26Å; I164-F188 HydrophobicContact CG1-CE1 3.82Å; I164-F188 HydrophobicContact CG1-CE2 4.34Å; I164-F188 HydrophobicContact CG1-CZ 3.87Å; I164-F188 HydrophobicContact CG2-CE1 4.31Å; I164-F188 HydrophobicContact CG2-CE2 4.34Å; I164-F188 HydrophobicContact CG2-CZ 3.72Å; L186-F188 HydrophobicContact CD1-CB 4.36Å; L186-F188 HydrophobicContact CD2-CB 4.4Å; L186-F188 HydrophobicContact CG-CB 4.2Å; F188-N190 VanDerWaalsContact CD2-OD1 3.32Å; F188-N190 WeakPolarHBondContact CD2-OD1 3.24Å; F188-N190 WeakPolarHBondContact CE2-OD1 3.28Å; F188-N190 WeakPolarHBondContact CG-OD1 3.42Å; F188-N190 VanDerWaalsContact CZ-ND2 3.33Å; F188-N190 WeakPolarHBondContact CZ-ND2 3.48Å; F188-N190 WeakPolarHBondContact CZ-OD1 3.41Å; F188-I196 HydrophobicContact CD1-CG2 3.91Å; F188-I196 HydrophobicContact CE1-CG2 3.7Å; F188-L197 WeakPolarHBondContact CE1-O 3.36Å; F188-L202 HydrophobicContact CD1-CD1 3.97Å; F188-L202 HydrophobicContact CE1-CD1 4.13Å; F188-W216 PolarHBondContact N-O 3.24Å; F188-Y217 HydrophobicContact CB-CD1 4Å; F188-Y217 HydrophobicContact CB-CE1 4.35Å; F188-Y217 HydrophobicContact CD1-CD1 4.16Å; F188-Y217 HydrophobicContact CD1-CE1 4Å; F188-Y217 HydrophobicContact CG-CD1 4.49Å; F188-Y217 WeakPolarHBondContact O-CA 3.36Å; F188-T218 PolarHBondContact O-N 3.16Å
189	A	98.5	Very high	96.6	Very high	15 Å²	15	33.3 Å²	33.3	12%	0.124	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.3	-179.1	0	0	0	0	0	112.1	A159 G160 G161 T218 I234 M260	A159-A189 PolarHBondContact O-N 2.86Å; G160-A189 WeakPolarHBondContact CA-O 3.43Å; G161-A189 PolarHBondContact N-O 2.84Å; A189-T218 WeakPolarHBondContact CA-O 3.47Å; A189-T218 HydrophobicContact CB-CG2 3.62Å; A189-I234 HydrophobicContact CB-CD1 3.78Å; A189-I234 HydrophobicContact CB-CG1 4.15Å; A189-M260 HydrophobicContact CB-SD 4.18Å
190	N	97.4	Very high	96.6	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	168.1	180	-63.5	84	0	0	0	111	F188 D195 I196 T218 V219 D220	F188-N190 VanDerWaalsContact CD2-OD1 3.32Å; F188-N190 WeakPolarHBondContact CD2-OD1 3.24Å; F188-N190 WeakPolarHBondContact CE2-OD1 3.28Å; F188-N190 WeakPolarHBondContact CG-OD1 3.42Å; F188-N190 VanDerWaalsContact CZ-ND2 3.33Å; F188-N190 WeakPolarHBondContact CZ-ND2 3.48Å; F188-N190 WeakPolarHBondContact CZ-OD1 3.41Å; N190-D195 HydrophobicContact CB-CB 4.16Å; N190-D195 PolarHBondContact ND2-O 2.95Å; N190-I196 HydrophobicContact CB-CG1 4.04Å; N190-T218 PolarHBondContact N-O 2.82Å; N190-V219 VanDerWaalsContact O-CA 3.28Å; N190-V219 WeakPolarHBondContact O-CA 3.45Å; N190-D220 PolarHBondContact O-N 2.98Å; N190-D220 VanDerWaalsContact O-N 3.12Å
191	K	94.6	Very high	96.7	Very high	120 Å²	120	35.7 Å²	35.7	52%	0.522	18%	0.184	S	C	.	.	S	Bend	trans	-73.2	-44.1	178.6	179.4	178.2	179	-178.6	0	112.1	D220 I221	K191-D220 PolarHBondContact O-N 3.28Å; K191-I221 HydrophobicContact CG-CD1 4.24Å; K191-I221 WeakPolarHBondContact O-CB 3.35Å; K191-I221 PolarHBondContact O-N 3.22Å
192	S	95.3	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-148.6	176.1	173.9	58.5	0	0	0	0	110.6	D194 D195 I221	S192-D194 PolarHBondContact O-N 3.12Å; S192-D195 PolarHBondContact N-OD2 3.35Å; S192-D195 WeakPolarHBondContact O-CB 3.31Å; S192-D195 PolarHBondContact O-N 2.78Å; S192-D195 PolarHBondContact OG-OD2 2.85Å; S192-I221 WeakPolarHBondContact CA-O 3.3Å; S192-I221 WeakPolarHBondContact CB-O 3.14Å
193	E	94.9	Very high	96.8	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-59.2	-35.5	179.9	-54.7	92.9	161.9	0	0	112.2	D195 I196 R223 S224 W227	E193-D195 PolarHBondContact O-N 3.25Å; E193-I196 WeakPolarHBondContact O-CG1 3.45Å; E193-I196 PolarHBondContact O-N 2.65Å; E193-R223 PolarHBondContact OE1-N 3.06Å; E193-R223 WeakPolarHBondContact OE2-CB 3.41Å; E193-R223 WeakPolarHBondContact OE2-CG 3.35Å; E193-R223 PolarHBondContact OE2-N 2.69Å; E193-R223 VanDerWaalsContact OE2-N 3.1Å; E193-S224 PolarHBondContact OE1-N 3.28Å; E193-W227 HydrophobicContact CB-CZ3 4.24Å; E193-W227 HydrophobicContact CG-CD2 4.06Å; E193-W227 HydrophobicContact CG-CE3 3.35Å; E193-W227 HydrophobicContact CG-CH2 4.29Å; E193-W227 HydrophobicContact CG-CZ3 3.49Å; E193-W227 VanDerWaalsContact CG-CZ3 3.49Å
194	D	92.4	Very high	96.8	Very high	91 Å²	91	34.2 Å²	34.2	49%	0.487	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-70.5	-10.5	179.3	-61.7	-31.5	0	0	0	113.7	S192 R223	S192-D194 PolarHBondContact O-N 3.12Å; D194-R223 IonicContact OD2-CZ 3.29Å; D194-R223 IonicContact OD2-NH1 2.82Å; D194-R223 PolarHBondContact OD2-NH1 3.21Å
195	D	93.3	Very high	96.8	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-96.9	0.9	179	-72	-82.3	0	0	0	112.8	K100 N190 S192 E193 L197	K100-D195 IonicContact NZ-OD1 3.99Å; K100-D195 PolarHBondContact NZ-OD1 2.7Å; N190-D195 HydrophobicContact CB-CB 4.16Å; N190-D195 PolarHBondContact ND2-O 2.95Å; S192-D195 PolarHBondContact N-OD2 3.35Å; S192-D195 WeakPolarHBondContact O-CB 3.31Å; S192-D195 PolarHBondContact O-N 2.78Å; S192-D195 PolarHBondContact OG-OD2 2.85Å; E193-D195 PolarHBondContact O-N 3.25Å; D195-L197 WeakPolarHBondContact O-CD1 3.34Å; D195-L197 PolarHBondContact O-N 3.45Å; D195-L197 VanDerWaalsContact O-N 3.14Å
196	I	95.9	Very high	96.7	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.082	18%	0.181	C	C	.	.			trans	-77.7	100.9	-178.9	-57	172.5	0	0	0	109.2	F188 N190 E193 R199 Y217 W227	F188-I196 HydrophobicContact CD1-CG2 3.91Å; F188-I196 HydrophobicContact CE1-CG2 3.7Å; N190-I196 HydrophobicContact CB-CG1 4.04Å; E193-I196 WeakPolarHBondContact O-CG1 3.45Å; E193-I196 PolarHBondContact O-N 2.65Å; I196-R199 HydrophobicContact CB-CB 4.18Å; I196-R199 HydrophobicContact CG2-CB 3.67Å; I196-R199 HydrophobicContact CG2-CG 3.97Å; I196-Y217 HydrophobicContact CD1-CD1 4.02Å; I196-Y217 HydrophobicContact CD1-CE1 4.49Å; I196-Y217 HydrophobicContact CD1-CG 4.42Å; I196-Y217 HydrophobicContact CG2-CD1 4.08Å; I196-Y217 HydrophobicContact CG2-CE1 3.73Å; I196-W227 HydrophobicContact CD1-CH2 3.6Å; I196-W227 HydrophobicContact CD1-CZ3 4.08Å
197	L	95.7	Very high	96.7	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	137.6	175.9	-85.1	67	0	0	0	110.3	T46 V98 I164 F188 D195 R199	T46-L197 HydrophobicContact CG2-CD2 4.12Å; T46-L197 HydrophobicContact CG2-CG 4.07Å; V98-L197 HydrophobicContact CG1-CD2 4.26Å; I164-L197 HydrophobicContact CG2-CB 3.9Å; F188-L197 WeakPolarHBondContact CE1-O 3.36Å; D195-L197 WeakPolarHBondContact O-CD1 3.34Å; D195-L197 PolarHBondContact O-N 3.45Å; D195-L197 VanDerWaalsContact O-N 3.14Å; L197-R199 PolarHBondContact O-N 3.05Å
198	L	96	Very high	96.7	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	27.6	176.7	-54.5	168.5	0	0	0	113.9	V86 V98 I164 Y168 D200 E201 L202	V86-L198 HydrophobicContact CG1-CD1 3.99Å; V98-L198 HydrophobicContact CB-CD2 4.49Å; V98-L198 HydrophobicContact CG1-CD2 4.5Å; V98-L198 HydrophobicContact CG2-CD2 4.15Å; I164-L198 HydrophobicContact CG2-CD1 4.48Å; Y168-L198 HydrophobicContact CD1-CD1 3.78Å; Y168-L198 HydrophobicContact CD2-CD1 3.88Å; Y168-L198 HydrophobicContact CE1-CD1 4.13Å; Y168-L198 HydrophobicContact CE2-CD1 4.27Å; Y168-L198 HydrophobicContact CG-CD1 3.63Å; L198-D200 PolarHBondContact O-N 3.47Å; L198-E201 WeakPolarHBondContact CA-OE2 3.32Å; L198-E201 HydrophobicContact CB-CB 4.46Å; L198-E201 PolarHBondContact O-N 3.24Å; L198-L202 HydrophobicContact CB-CG 4.47Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 2.86Å
199	R	96.4	Very high	96.6	Very high	74 Å²	74	51.1 Å²	51.1	28%	0.279	26%	0.257	S	S	.	.	H	α-helix	trans	-56.3	-51.3	-175.8	-174.3	174.7	175.6	174.8	-4.7	112.2	I196 L197 E201 L202 E203	I196-R199 HydrophobicContact CB-CB 4.18Å; I196-R199 HydrophobicContact CG2-CB 3.67Å; I196-R199 HydrophobicContact CG2-CG 3.97Å; L197-R199 PolarHBondContact O-N 3.05Å; R199-E201 VanDerWaalsContact C-N 3.3Å; R199-E201 PolarHBondContact O-N 2.92Å; R199-L202 PolarHBondContact O-N 3.26Å; R199-E203 HydrophobicContact CG-CG 4.34Å; R199-E203 IonicContact CZ-OE1 3.77Å; R199-E203 IonicContact NE-OE1 3.66Å; R199-E203 PolarHBondContact NE-OE1 3.25Å; R199-E203 IonicContact NH2-OE1 2.66Å; R199-E203 PolarHBondContact NH2-OE1 3.03Å; R199-E203 WeakPolarHBondContact O-CB 3.39Å; R199-E203 WeakPolarHBondContact O-CG 3.22Å; R199-E203 PolarHBondContact O-N 3.48Å
200	D	96.3	Very high	96.5	Very high	123 Å²	123	54.3 Å²	54.3	66%	0.658	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-40.7	-177.4	-65.3	-11.6	0	0	0	111.1	L198 A204	L198-D200 PolarHBondContact O-N 3.47Å; D200-A204 VanDerWaalsContact O-CB 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.37Å; D200-A204 PolarHBondContact O-N 2.9Å
201	E	97.4	Very high	96.5	Very high	86 Å²	86	61.7 Å²	61.7	40%	0.402	31%	0.311	S	S	.	.	H	α-helix	trans	-67.1	-41.2	177.3	-63.1	86.5	165	0	0	112.2	Y168 L198 R199 A204 M205	Y168-E201 HydrophobicContact CE2-CB 3.79Å; L198-E201 WeakPolarHBondContact CA-OE2 3.32Å; L198-E201 HydrophobicContact CB-CB 4.46Å; L198-E201 PolarHBondContact O-N 3.24Å; R199-E201 VanDerWaalsContact C-N 3.3Å; R199-E201 PolarHBondContact O-N 2.92Å; E201-A204 PolarHBondContact O-N 3.01Å; E201-M205 WeakPolarHBondContact O-CG 3.41Å; E201-M205 PolarHBondContact O-N 2.47Å
202	L	98.5	Very high	96.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-47.6	176.5	-73.7	171.4	0	0	0	111.4	I164 Y168 M171 L186 F188 L198 R199 A204 M205 A206 I215	I164-L202 HydrophobicContact CD1-CD1 3.9Å; I164-L202 HydrophobicContact CD1-CD2 4.24Å; I164-L202 HydrophobicContact CG1-CD1 4.01Å; Y168-L202 HydrophobicContact CD2-CD2 4.08Å; M171-L202 HydrophobicContact CE-CD2 3.86Å; M171-L202 HydrophobicContact SD-CD2 4.04Å; L186-L202 HydrophobicContact CD2-CD1 4.18Å; L186-L202 HydrophobicContact CD2-CD2 3.8Å; F188-L202 HydrophobicContact CD1-CD1 3.97Å; F188-L202 HydrophobicContact CE1-CD1 4.13Å; L198-L202 HydrophobicContact CB-CG 4.47Å; L198-L202 WeakPolarHBondContact O-CB 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 2.86Å; R199-L202 PolarHBondContact O-N 3.26Å; L202-A204 VanDerWaalsContact C-N 3.3Å; L202-A204 PolarHBondContact O-N 2.81Å; L202-M205 WeakPolarHBondContact O-CB 3.45Å; L202-M205 PolarHBondContact O-N 3.16Å; L202-M205 VanDerWaalsContact O-N 3.13Å; L202-A206 PolarHBondContact O-N 3.08Å; L202-I215 HydrophobicContact CB-CD1 3.78Å; L202-I215 HydrophobicContact CD2-CD1 4.21Å; L202-I215 WeakPolarHBondContact O-CD1 3.44Å
203	E	98.1	Very high	96.7	Very high	68 Å²	68	58.6 Å²	58.6	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-37.4	177.6	-70.7	-176.2	-175.4	0	0	111.5	R199 A206 K207	R199-E203 HydrophobicContact CG-CG 4.34Å; R199-E203 IonicContact CZ-OE1 3.77Å; R199-E203 IonicContact NE-OE1 3.66Å; R199-E203 PolarHBondContact NE-OE1 3.25Å; R199-E203 IonicContact NH2-OE1 2.66Å; R199-E203 PolarHBondContact NH2-OE1 3.03Å; R199-E203 WeakPolarHBondContact O-CB 3.39Å; R199-E203 WeakPolarHBondContact O-CG 3.22Å; R199-E203 PolarHBondContact O-N 3.48Å; E203-A206 PolarHBondContact O-N 2.77Å; E203-K207 VanDerWaalsContact O-CB 3.25Å; E203-K207 WeakPolarHBondContact O-CB 3.19Å; E203-K207 PolarHBondContact O-N 3.5Å
204	A	98.2	Very high	96.9	Very high	43 Å²	43	63.6 Å²	63.6	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-41.3	172	0	0	0	0	0	112.2	D200 E201 L202 K207 N208	D200-A204 VanDerWaalsContact O-CB 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.37Å; D200-A204 PolarHBondContact O-N 2.9Å; E201-A204 PolarHBondContact O-N 3.01Å; L202-A204 VanDerWaalsContact C-N 3.3Å; L202-A204 PolarHBondContact O-N 2.81Å; A204-K207 PolarHBondContact O-N 3.33Å; A204-N208 VanDerWaalsContact O-CB 3.3Å; A204-N208 WeakPolarHBondContact O-CB 3.35Å; A204-N208 PolarHBondContact O-N 3.12Å; A204-N208 PolarHBondContact O-ND2 3.16Å
205	M	98.1	Very high	97.2	Very high	25 Å²	25	60.2 Å²	60.2	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.3	-74.8	176.6	-178.9	0	0	111.9	Y168 M171 Q172 L175 E201 L202 N208 H209	Y168-M205 HydrophobicContact CD2-CE 3.91Å; Y168-M205 HydrophobicContact CD2-SD 4.31Å; Y168-M205 HydrophobicContact CE2-CE 3.31Å; Y168-M205 HydrophobicContact CE2-SD 4.08Å; M171-M205 HydrophobicContact CB-SD 4.22Å; M171-M205 HydrophobicContact CE-SD 4.12Å; Q172-M205 HydrophobicContact CB-CE 4.42Å; Q172-M205 HydrophobicContact CG-CE 3.45Å; Q172-M205 VanDerWaalsContact CG-CE 3.45Å; L175-M205 HydrophobicContact CD1-CB 3.74Å; L175-M205 HydrophobicContact CD1-CG 3.95Å; L175-M205 HydrophobicContact CD1-SD 4.11Å; E201-M205 WeakPolarHBondContact O-CG 3.41Å; E201-M205 PolarHBondContact O-N 2.47Å; L202-M205 WeakPolarHBondContact O-CB 3.45Å; L202-M205 PolarHBondContact O-N 3.16Å; L202-M205 VanDerWaalsContact O-N 3.13Å; M205-N208 PolarHBondContact O-N 3.36Å; M205-H209 PolarHBondContact O-CD2 2.71Å; M205-H209 VanDerWaalsContact O-CD2 3.31Å; M205-H209 PolarHBondContact O-N 3.23Å
206	A	98.2	Very high	97.4	Very high	22 Å²	22	63.2 Å²	63.2	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-45.1	177.6	0	0	0	0	0	111.7	L202 E203 N208 H209 P210 I215	L202-A206 PolarHBondContact O-N 3.08Å; E203-A206 PolarHBondContact O-N 2.77Å; A206-N208 VanDerWaalsContact C-N 3.34Å; A206-N208 PolarHBondContact O-N 3.01Å; A206-H209 CarbonylContact O-C 3.32Å; A206-H209 VanDerWaalsContact O-C 3.32Å; A206-H209 PolarHBondContact O-N 2.86Å; A206-P210 WeakPolarHBondContact O-CA 3.49Å; A206-I215 HydrophobicContact CB-CD1 3.93Å; A206-I215 HydrophobicContact CB-CG1 4.07Å
207	K	98.2	Very high	97.6	Very high	171 Å²	171	62.5 Å²	62.5	74%	0.743	31%	0.307	S	S	*	.	H	α-helix	trans	-61.6	-39	178.1	-178.9	178.2	177.2	-180	0	112.8	E203 A204	E203-K207 VanDerWaalsContact O-CB 3.25Å; E203-K207 WeakPolarHBondContact O-CB 3.19Å; E203-K207 PolarHBondContact O-N 3.5Å; A204-K207 PolarHBondContact O-N 3.33Å
208	N	97.9	Very high	97.7	Very high	113 Å²	113	62.2 Å²	62.2	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-79.1	-19.6	-179.7	-68.5	-20.5	0	0	0	112.8	A204 M205 A206 P210	A204-N208 VanDerWaalsContact O-CB 3.3Å; A204-N208 WeakPolarHBondContact O-CB 3.35Å; A204-N208 PolarHBondContact O-N 3.12Å; A204-N208 PolarHBondContact O-ND2 3.16Å; M205-N208 PolarHBondContact O-N 3.36Å; A206-N208 VanDerWaalsContact C-N 3.34Å; A206-N208 PolarHBondContact O-N 3.01Å; N208-P210 VanDerWaalsContact C-CD 3.5Å
209	H	97.8	Very high	97.8	Very high	54 Å²	54	61.8 Å²	61.8	25%	0.25	30%	0.303	C	S	.	.			trans	-132.4	53.4	-177.2	-57.5	-91.7	0	0	0	112.9	L175 M205 A206 Q211 R212 C213	L175-H209 HydrophobicContact CD2-CB 3.87Å; L175-H209 PolarHBondContact O-CE1 2.9Å; M205-H209 PolarHBondContact O-CD2 2.71Å; M205-H209 VanDerWaalsContact O-CD2 3.31Å; M205-H209 PolarHBondContact O-N 3.23Å; A206-H209 CarbonylContact O-C 3.32Å; A206-H209 VanDerWaalsContact O-C 3.32Å; A206-H209 PolarHBondContact O-N 2.86Å; H209-Q211 PolarHBondContact O-N 2.86Å; H209-R212 PolarHBondContact O-N 3.23Å; H209-C213 HydrophobicContact CB-CB 3.96Å; H209-C213 PolarHBondContact O-N 2.9Å
210	P	96.9	Very high	97.8	Very high	82 Å²	82	61.5 Å²	61.5	53%	0.532	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.1	-167	26	-36.1	0	0	0	114.4	A206 N208	A206-P210 WeakPolarHBondContact O-CA 3.49Å; N208-P210 VanDerWaalsContact C-CD 3.5Å
211	Q	95.9	Very high	97.7	Very high	164 Å²	164	59.5 Å²	59.5	77%	0.766	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.7	177.9	-61	-58	-37.4	0	0	113.3	H209	H209-Q211 PolarHBondContact O-N 2.86Å
212	R	96.1	Very high	97.6	Very high	51 Å²	51	59.5 Å²	59.5	19%	0.192	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-15.7	-172	-65.9	-168.3	-66	131.8	-12.9	114.2	D180 N183 I184 H209	D180-R212 PolarHBondContact O-NH1 3.09Å; N183-R212 CarbonylContact C-O 3.55Å; I184-R212 PolarHBondContact N-O 3.47Å; H209-R212 PolarHBondContact O-N 3.23Å
213	C	98.5	Very high	97.4	Very high	4 Å²	4	66.6 Å²	66.6	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	109.3	-176.3	-173.5	0	0	0	0	109.8	L175 H209	L175-C213 HydrophobicContact CD1-CB 4.3Å; L175-C213 HydrophobicContact CD2-CB 4.25Å; H209-C213 HydrophobicContact CB-CB 3.96Å; H209-C213 PolarHBondContact O-N 2.9Å
214	K	98.5	Very high	97.2	Very high	122 Å²	122	65.7 Å²	65.7	53%	0.53	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.4	176.7	-61.8	-178	-175	175.9	0	108.9	I184 H185 L186	I184-K214 PolarHBondContact O-N 3.38Å; H185-K214 CarbonylContact C-O 3.4Å; H185-K214 WeakPolarHBondContact CA-O 3.5Å; L186-K214 PolarHBondContact N-O 2.91Å
215	I	98.7	Very high	96.9	Very high	21 Å²	21	68.5 Å²	68.5	11%	0.108	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.4	-178.7	-53.7	-177.2	0	0	0	108.2	M171 L186 L202 A206 Y217	M171-I215 HydrophobicContact CE-CD1 4.07Å; L186-I215 HydrophobicContact CB-CG1 4.24Å; L186-I215 HydrophobicContact CB-CG2 4.3Å; L186-I215 HydrophobicContact CD2-CD1 4.38Å; L186-I215 HydrophobicContact CD2-CG1 4.4Å; L186-I215 HydrophobicContact CD2-CG2 3.91Å; L186-I215 HydrophobicContact CG-CG2 4.22Å; L186-I215 CarbonylContact O-C 3.59Å; L186-I215 WeakPolarHBondContact O-CA 3.41Å; L202-I215 HydrophobicContact CB-CD1 3.78Å; L202-I215 HydrophobicContact CD2-CD1 4.21Å; L202-I215 WeakPolarHBondContact O-CD1 3.44Å; A206-I215 HydrophobicContact CB-CD1 3.93Å; A206-I215 HydrophobicContact CB-CG1 4.07Å; I215-Y217 HydrophobicContact CG2-CD2 4.42Å; I215-Y217 HydrophobicContact CG2-CE1 3.94Å; I215-Y217 HydrophobicContact CG2-CE2 3.78Å; I215-Y217 VanDerWaalsContact CG2-CZ 3.5Å
216	W	98.7	Very high	96.7	Very high	71 Å²	71	73.2 Å²	73.2	27%	0.269	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.7	173.9	-161.2	-98.7	0	0	0	109.3	L186 L187 F188 Y229 S230 H242	L186-W216 PolarHBondContact O-N 3.32Å; L187-W216 WeakPolarHBondContact CA-O 3.37Å; L187-W216 HydrophobicContact CD1-CB 4.15Å; L187-W216 HydrophobicContact CD1-CG 4.33Å; F188-W216 PolarHBondContact N-O 3.24Å; W216-Y229 AromaticContact CD2-CD1 3.75Å; W216-Y229 HydrophobicContact CD2-CD1 3.75Å; W216-Y229 AromaticContact CE2-CD1 4Å; W216-Y229 AromaticContact CE3-CD1 3.7Å; W216-Y229 HydrophobicContact CE3-CD1 3.7Å; W216-Y229 HydrophobicContact CE3-CE1 4.1Å; W216-Y229 HydrophobicContact CG-CD1 4.35Å; W216-Y229 HydrophobicContact CH2-CD1 4.17Å; W216-Y229 HydrophobicContact CZ2-CD1 4.22Å; W216-Y229 AromaticContact CZ3-CD1 3.91Å; W216-Y229 HydrophobicContact CZ3-CD1 3.91Å; W216-Y229 HydrophobicContact CZ3-CE1 4.29Å; W216-S230 PolarHBondContact NE1-OG 2.86Å; W216-H242 HydrophobicContact CB-CB 4.12Å; W216-H242 AromaticContact CD1-CD2 3.44Å; W216-H242 VanDerWaalsContact CD1-CD2 3.44Å; W216-H242 AromaticContact CD1-CG 3.91Å; W216-H242 AromaticContact CD1-NE2 3.55Å; W216-H242 AromaticContact CD2-CD2 3.92Å; W216-H242 AromaticContact CD2-CE1 3.16Å; W216-H242 AromaticContact CD2-CG 3.97Å; W216-H242 AromaticContact CD2-ND1 3.51Å; W216-H242 AromaticContact CD2-NE2 3.45Å; W216-H242 AromaticContact CE2-CD2 3.95Å; W216-H242 AromaticContact CE2-CE1 3.3Å; W216-H242 AromaticContact CE2-NE2 3.19Å; W216-H242 AromaticContact CE3-CE1 3.43Å; W216-H242 VanDerWaalsContact CE3-CE1 3.43Å; W216-H242 AromaticContact CE3-ND1 3.71Å; W216-H242 HydrophobicContact CG-CB 4.41Å; W216-H242 AromaticContact CG-CD2 3.6Å; W216-H242 AromaticContact CG-CE1 3.66Å; W216-H242 AromaticContact CG-CG 3.61Å; W216-H242 AromaticContact CG-ND1 3.64Å; W216-H242 AromaticContact CG-NE2 3.66Å; W216-H242 AromaticContact CH2-CE1 3.92Å; W216-H242 AromaticContact CZ2-CE1 3.69Å; W216-H242 AromaticContact CZ2-NE2 3.72Å; W216-H242 AromaticContact CZ3-CE1 3.8Å; W216-H242 AromaticContact NE1-CD2 3.63Å; W216-H242 AromaticContact NE1-CE1 3.8Å; W216-H242 AromaticContact NE1-NE2 3.24Å; W216-H242 PolarHBondContact NE1-NE2 3.45Å
217	Y	98.7	Very high	96.6	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.008	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.3	-178.3	-57.6	-85.7	0	0	0	110.3	F188 I196 I215 W227 Y229 S230	F188-Y217 HydrophobicContact CB-CD1 4Å; F188-Y217 HydrophobicContact CB-CE1 4.35Å; F188-Y217 HydrophobicContact CD1-CD1 4.16Å; F188-Y217 HydrophobicContact CD1-CE1 4Å; F188-Y217 HydrophobicContact CG-CD1 4.49Å; F188-Y217 WeakPolarHBondContact O-CA 3.36Å; I196-Y217 HydrophobicContact CD1-CD1 4.02Å; I196-Y217 HydrophobicContact CD1-CE1 4.49Å; I196-Y217 HydrophobicContact CD1-CG 4.42Å; I196-Y217 HydrophobicContact CG2-CD1 4.08Å; I196-Y217 HydrophobicContact CG2-CE1 3.73Å; I215-Y217 HydrophobicContact CG2-CD2 4.42Å; I215-Y217 HydrophobicContact CG2-CE1 3.94Å; I215-Y217 HydrophobicContact CG2-CE2 3.78Å; I215-Y217 VanDerWaalsContact CG2-CZ 3.5Å; Y217-W227 HydrophobicContact CG-CH2 4.13Å; Y217-Y229 HydrophobicContact CD2-CD1 4.02Å; Y217-Y229 AromaticContact CD2-CD2 3.72Å; Y217-Y229 HydrophobicContact CD2-CD2 3.72Å; Y217-Y229 AromaticContact CD2-CE1 3.78Å; Y217-Y229 HydrophobicContact CD2-CE1 3.78Å; Y217-Y229 AromaticContact CD2-CE2 3.46Å; Y217-Y229 HydrophobicContact CD2-CE2 3.46Å; Y217-Y229 VanDerWaalsContact CD2-CE2 3.46Å; Y217-Y229 AromaticContact CD2-CG 3.99Å; Y217-Y229 HydrophobicContact CD2-CG 3.99Å; Y217-Y229 AromaticContact CD2-CZ 3.5Å; Y217-Y229 VanDerWaalsContact CD2-CZ 3.5Å; Y217-Y229 HydrophobicContact CE2-CE1 4.31Å; Y217-Y229 HydrophobicContact CE2-CE2 4.01Å; Y217-Y229 AromaticContact CE2-CZ 3.81Å; Y217-Y229 HydrophobicContact CG-CD2 4.33Å; Y217-Y229 HydrophobicContact CG-CE2 4.44Å; Y217-Y229 WeakPolarHBondContact O-CB 3.38Å; Y217-S230 PolarHBondContact O-N 3.32Å; Y217-S230 VanDerWaalsContact O-N 3.15Å
218	T	98.6	Very high	96.5	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.9	163.2	-166.6	0	0	0	0	110.1	F188 A189 N190 S230 G232 I234 M238	F188-T218 PolarHBondContact O-N 3.16Å; A189-T218 WeakPolarHBondContact CA-O 3.47Å; A189-T218 HydrophobicContact CB-CG2 3.62Å; N190-T218 PolarHBondContact N-O 2.82Å; T218-S230 WeakPolarHBondContact CA-O 3.4Å; T218-S230 PolarHBondContact OG1-O 2.83Å; T218-G232 PolarHBondContact OG1-O 3.34Å; T218-I234 HydrophobicContact CG2-CG1 4.19Å; T218-M238 HydrophobicContact CG2-SD 4.29Å
219	V	98.3	Very high	96.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.1	179.1	-64.9	0	0	0	0	111.5	N190 Q222 W227 S230 V231 G232	N190-V219 VanDerWaalsContact O-CA 3.28Å; N190-V219 WeakPolarHBondContact O-CA 3.45Å; V219-Q222 HydrophobicContact CG2-CB 4.42Å; V219-W227 HydrophobicContact CB-CZ2 4.46Å; V219-W227 HydrophobicContact CG1-CH2 4.05Å; V219-W227 HydrophobicContact CG1-CZ2 3.65Å; V219-W227 HydrophobicContact CG2-CD2 4.39Å; V219-W227 HydrophobicContact CG2-CZ2 4.1Å; V219-S230 PolarHBondContact N-O 2.91Å; V219-V231 HydrophobicContact CG2-CG2 4.38Å; V219-V231 CarbonylContact O-C 3.55Å; V219-V231 VanDerWaalsContact O-CA 3.31Å; V219-V231 WeakPolarHBondContact O-CA 3.35Å; V219-V231 WeakPolarHBondContact O-CG1 3.43Å; V219-G232 PolarHBondContact O-N 3.02Å
220	D	95.9	Very high	96.6	Very high	69 Å²	69	65.3 Å²	65.3	37%	0.369	34%	0.338	S	S	.	.	S	Bend	trans	-69.5	-37.6	174.2	-62.8	-21.5	0	0	0	111.5	N190 K191	N190-D220 PolarHBondContact O-N 2.98Å; N190-D220 VanDerWaalsContact O-N 3.12Å; K191-D220 PolarHBondContact O-N 3.28Å
221	I	95.4	Very high	96.6	Very high	81 Å²	81	64.7 Å²	64.7	42%	0.415	33%	0.333	S	S	.	.	S	Bend	trans	-124.3	105.1	-177.5	-56.3	169.5	0	0	0	108.2	K191 S192 R223	K191-I221 HydrophobicContact CG-CD1 4.24Å; K191-I221 WeakPolarHBondContact O-CB 3.35Å; K191-I221 PolarHBondContact O-N 3.22Å; S192-I221 WeakPolarHBondContact CA-O 3.3Å; S192-I221 WeakPolarHBondContact CB-O 3.14Å; I221-R223 HydrophobicContact CG2-CG 4.38Å; I221-R223 PolarHBondContact O-N 3.14Å
222	Q	95.1	Very high	96.7	Very high	86 Å²	86	57.9 Å²	57.9	40%	0.402	31%	0.307	S	S	.	.			trans	-73.2	119.5	168.7	179.1	-178.6	-6.8	0	0	109.4	V219 S224 W227 V231	V219-Q222 HydrophobicContact CG2-CB 4.42Å; Q222-S224 WeakPolarHBondContact CG-O 3.37Å; Q222-S224 PolarHBondContact NE2-O 3.09Å; Q222-W227 HydrophobicContact CG-CB 3.79Å; Q222-W227 HydrophobicContact CG-CG 4.28Å; Q222-V231 HydrophobicContact CB-CG1 4.5Å; Q222-V231 HydrophobicContact CB-CG2 4.05Å
223	R	93.3	Very high	96.8	Very high	148 Å²	148	63.6 Å²	63.6	56%	0.558	33%	0.329	S	S	*	.			trans	-100.1	-33	174	-58.3	-178.7	172.4	-178.4	0.8	111.6	E193 D194 I221	E193-R223 PolarHBondContact OE1-N 3.06Å; E193-R223 WeakPolarHBondContact OE2-CB 3.41Å; E193-R223 WeakPolarHBondContact OE2-CG 3.35Å; E193-R223 PolarHBondContact OE2-N 2.69Å; E193-R223 VanDerWaalsContact OE2-N 3.1Å; D194-R223 IonicContact OD2-CZ 3.29Å; D194-R223 IonicContact OD2-NH1 2.82Å; D194-R223 PolarHBondContact OD2-NH1 3.21Å; I221-R223 HydrophobicContact CG2-CG 4.38Å; I221-R223 PolarHBondContact O-N 3.14Å
224	S	93.4	Very high	96.8	Very high	49 Å²	49	63.8 Å²	63.8	34%	0.343	33%	0.33	S	S	.	.			trans	-92.5	134.5	-178.1	-150	0	0	0	0	111.8	E193 Q222 D226 W227	E193-S224 PolarHBondContact OE1-N 3.28Å; Q222-S224 WeakPolarHBondContact CG-O 3.37Å; Q222-S224 PolarHBondContact NE2-O 3.09Å; S224-D226 VanDerWaalsContact CB-OD1 3.26Å; S224-D226 WeakPolarHBondContact CB-OD1 3.31Å; S224-D226 PolarHBondContact O-N 3.49Å; S224-D226 PolarHBondContact OG-OD1 3.25Å; S224-W227 PolarHBondContact O-N 3Å
225	A	92.1	Very high	96.8	Very high	103 Å²	103	61 Å²	61	85%	0.851	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.2	178.6	0	0	0	0	0	113
226	D	94.6	Very high	96.8	Very high	123 Å²	123	61 Å²	61	66%	0.658	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	15.8	-178.2	68.5	-28.1	0	0	0	113.5	S224 P228	S224-D226 VanDerWaalsContact CB-OD1 3.26Å; S224-D226 WeakPolarHBondContact CB-OD1 3.31Å; S224-D226 PolarHBondContact O-N 3.49Å; S224-D226 PolarHBondContact OG-OD1 3.25Å; D226-P228 WeakPolarHBondContact O-CD 3.38Å; D226-P228 VanDerWaalsContact O-N 3.09Å
227	W	96.9	Very high	96.7	Very high	22 Å²	22	62.4 Å²	62.4	8%	0.083	34%	0.336	C	S	.	.			trans	-58.2	112.2	177.5	-179.4	-110.9	0	0	0	111	E193 I196 Y217 V219 Q222 S224 Y229 S230	E193-W227 HydrophobicContact CB-CZ3 4.24Å; E193-W227 HydrophobicContact CG-CD2 4.06Å; E193-W227 HydrophobicContact CG-CE3 3.35Å; E193-W227 HydrophobicContact CG-CH2 4.29Å; E193-W227 HydrophobicContact CG-CZ3 3.49Å; E193-W227 VanDerWaalsContact CG-CZ3 3.49Å; I196-W227 HydrophobicContact CD1-CH2 3.6Å; I196-W227 HydrophobicContact CD1-CZ3 4.08Å; Y217-W227 HydrophobicContact CG-CH2 4.13Å; V219-W227 HydrophobicContact CB-CZ2 4.46Å; V219-W227 HydrophobicContact CG1-CH2 4.05Å; V219-W227 HydrophobicContact CG1-CZ2 3.65Å; V219-W227 HydrophobicContact CG2-CD2 4.39Å; V219-W227 HydrophobicContact CG2-CZ2 4.1Å; Q222-W227 HydrophobicContact CG-CB 3.79Å; Q222-W227 HydrophobicContact CG-CG 4.28Å; S224-W227 PolarHBondContact O-N 3Å; W227-Y229 VanDerWaalsContact C-N 3.33Å; W227-Y229 VanDerWaalsContact CD1-O 3.27Å; W227-Y229 HydrophobicContact CD2-CD2 4.19Å; W227-Y229 AromaticContact CE2-CD2 3.97Å; W227-Y229 HydrophobicContact CE3-CD2 4.09Å; W227-Y229 AromaticContact CH2-CD2 3.58Å; W227-Y229 HydrophobicContact CH2-CD2 3.58Å; W227-Y229 HydrophobicContact CH2-CE2 4.3Å; W227-Y229 HydrophobicContact CH2-CG 4.41Å; W227-Y229 AromaticContact CZ2-CD2 3.7Å; W227-Y229 HydrophobicContact CZ2-CD2 3.7Å; W227-Y229 HydrophobicContact CZ2-CG 4.13Å; W227-Y229 AromaticContact CZ3-CD2 3.79Å; W227-Y229 HydrophobicContact CZ3-CD2 3.79Å; W227-Y229 HydrophobicContact CZ3-CE2 4.3Å; W227-Y229 PolarHBondContact NE1-O 3.28Å; W227-Y229 PolarHBondContact O-N 2.94Å; W227-S230 PolarHBondContact NE1-O 3.21Å
228	P	96.4	Very high	96.7	Very high	88 Å²	88	63.1 Å²	63.1	57%	0.571	34%	0.34	S	S	*	.			trans	-92.2	4.8	-169.5	36.8	-34.7	0	0	0	113.2	D226	D226-P228 WeakPolarHBondContact O-CD 3.38Å; D226-P228 VanDerWaalsContact O-N 3.09Å
229	Y	98.2	Very high	96.7	Very high	59 Å²	59	63 Å²	63	23%	0.231	34%	0.34	C	S	.	.	S	Bend	trans	-115.2	-172.6	-174.5	-50.5	-80.3	0	0	0	111.9	W216 Y217 W227	W216-Y229 AromaticContact CD2-CD1 3.75Å; W216-Y229 HydrophobicContact CD2-CD1 3.75Å; W216-Y229 AromaticContact CE2-CD1 4Å; W216-Y229 AromaticContact CE3-CD1 3.7Å; W216-Y229 HydrophobicContact CE3-CD1 3.7Å; W216-Y229 HydrophobicContact CE3-CE1 4.1Å; W216-Y229 HydrophobicContact CG-CD1 4.35Å; W216-Y229 HydrophobicContact CH2-CD1 4.17Å; W216-Y229 HydrophobicContact CZ2-CD1 4.22Å; W216-Y229 AromaticContact CZ3-CD1 3.91Å; W216-Y229 HydrophobicContact CZ3-CD1 3.91Å; W216-Y229 HydrophobicContact CZ3-CE1 4.29Å; Y217-Y229 HydrophobicContact CD2-CD1 4.02Å; Y217-Y229 AromaticContact CD2-CD2 3.72Å; Y217-Y229 HydrophobicContact CD2-CD2 3.72Å; Y217-Y229 AromaticContact CD2-CE1 3.78Å; Y217-Y229 HydrophobicContact CD2-CE1 3.78Å; Y217-Y229 AromaticContact CD2-CE2 3.46Å; Y217-Y229 HydrophobicContact CD2-CE2 3.46Å; Y217-Y229 VanDerWaalsContact CD2-CE2 3.46Å; Y217-Y229 AromaticContact CD2-CG 3.99Å; Y217-Y229 HydrophobicContact CD2-CG 3.99Å; Y217-Y229 AromaticContact CD2-CZ 3.5Å; Y217-Y229 VanDerWaalsContact CD2-CZ 3.5Å; Y217-Y229 HydrophobicContact CE2-CE1 4.31Å; Y217-Y229 HydrophobicContact CE2-CE2 4.01Å; Y217-Y229 AromaticContact CE2-CZ 3.81Å; Y217-Y229 HydrophobicContact CG-CD2 4.33Å; Y217-Y229 HydrophobicContact CG-CE2 4.44Å; Y217-Y229 WeakPolarHBondContact O-CB 3.38Å; W227-Y229 VanDerWaalsContact C-N 3.33Å; W227-Y229 VanDerWaalsContact CD1-O 3.27Å; W227-Y229 HydrophobicContact CD2-CD2 4.19Å; W227-Y229 AromaticContact CE2-CD2 3.97Å; W227-Y229 HydrophobicContact CE3-CD2 4.09Å; W227-Y229 AromaticContact CH2-CD2 3.58Å; W227-Y229 HydrophobicContact CH2-CD2 3.58Å; W227-Y229 HydrophobicContact CH2-CE2 4.3Å; W227-Y229 HydrophobicContact CH2-CG 4.41Å; W227-Y229 AromaticContact CZ2-CD2 3.7Å; W227-Y229 HydrophobicContact CZ2-CD2 3.7Å; W227-Y229 HydrophobicContact CZ2-CG 4.13Å; W227-Y229 AromaticContact CZ3-CD2 3.79Å; W227-Y229 HydrophobicContact CZ3-CD2 3.79Å; W227-Y229 HydrophobicContact CZ3-CE2 4.3Å; W227-Y229 PolarHBondContact NE1-O 3.28Å; W227-Y229 PolarHBondContact O-N 2.94Å
230	S	98.3	Very high	96.7	Very high	25 Å²	25	70 Å²	70	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	157	-177.8	-64.7	0	0	0	0	112.7	W216 Y217 T218 V219 W227	W216-S230 PolarHBondContact NE1-OG 2.86Å; Y217-S230 PolarHBondContact O-N 3.32Å; Y217-S230 VanDerWaalsContact O-N 3.15Å; T218-S230 WeakPolarHBondContact CA-O 3.4Å; T218-S230 PolarHBondContact OG1-O 2.83Å; V219-S230 PolarHBondContact N-O 2.91Å; W227-S230 PolarHBondContact NE1-O 3.21Å
231	V	98	Very high	96.9	Very high	70 Å²	70	70 Å²	70	42%	0.424	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134	173	179.3	0	0	0	0	108.3	V219 Q222	V219-V231 HydrophobicContact CG2-CG2 4.38Å; V219-V231 CarbonylContact O-C 3.55Å; V219-V231 VanDerWaalsContact O-CA 3.31Å; V219-V231 WeakPolarHBondContact O-CA 3.35Å; V219-V231 WeakPolarHBondContact O-CG1 3.43Å; Q222-V231 HydrophobicContact CB-CG1 4.5Å; Q222-V231 HydrophobicContact CB-CG2 4.05Å
232	G	97.5	Very high	97	Very high	21 Å²	21	68.4 Å²	68.4	22%	0.216	37%	0.367	C	S	.	.	S	Bend	trans	107.7	-173.2	-178.6	0	0	0	0	0	114.3	T218 V219	T218-G232 PolarHBondContact OG1-O 3.34Å; V219-G232 PolarHBondContact O-N 3.02Å
233	Y	97.5	Very high	97.1	Very high	171 Å²	171	64.7 Å²	64.7	67%	0.671	35%	0.35	S	S	*	.	S	Bend	trans	-73	153.7	179.1	-60.8	-68.7	0	0	0	111.8	D235 M238	Y233-D235 PolarHBondContact O-N 3.45Å; Y233-M238 VanDerWaalsContact O-CE 3.24Å; Y233-M238 WeakPolarHBondContact O-CE 3.38Å
234	I	98.5	Very high	97.4	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.041	33%	0.327	C	S	.	.			trans	-57.3	129.9	174.9	-67.4	156.1	0	0	0	110.3	I158 L187 A189 T218 L239 M260 A264	I158-I234 HydrophobicContact CG2-CD1 3.41Å; I158-I234 VanDerWaalsContact CG2-CD1 3.41Å; L187-I234 HydrophobicContact CD2-CG1 3.89Å; L187-I234 HydrophobicContact CD2-CG2 4.05Å; L187-I234 HydrophobicContact CG-CG1 4.38Å; A189-I234 HydrophobicContact CB-CD1 3.78Å; A189-I234 HydrophobicContact CB-CG1 4.15Å; T218-I234 HydrophobicContact CG2-CG1 4.19Å; I234-L239 HydrophobicContact CG2-CD1 4.33Å; I234-L239 HydrophobicContact CG2-CD2 3.86Å; I234-L239 HydrophobicContact CG2-CG 4Å; I234-M260 HydrophobicContact CD1-CG 3.68Å; I234-M260 HydrophobicContact CD1-SD 3.71Å; I234-A264 HydrophobicContact CB-CB 4.26Å; I234-A264 WeakPolarHBondContact O-CB 3.13Å
235	D	98.2	Very high	97.6	Very high	63 Å²	63	60.7 Å²	60.7	34%	0.337	34%	0.344	S	S	.	.			trans	-133.6	176.8	175.4	66	27.1	0	0	0	112.2	Y233 D237 M238 L239 S268	Y233-D235 PolarHBondContact O-N 3.45Å; D235-D237 PolarHBondContact O-N 3.37Å; D235-D237 PolarHBondContact OD1-N 3.44Å; D235-M238 PolarHBondContact O-N 2.73Å; D235-M238 WeakPolarHBondContact OD1-CG 3.24Å; D235-M238 PolarHBondContact OD1-N 2.81Å; D235-L239 WeakPolarHBondContact O-CG 3.31Å; D235-L239 PolarHBondContact O-N 3.3Å; D235-L239 VanDerWaalsContact O-N 3.08Å; D235-S268 VanDerWaalsContact C-OG 3.28Å; D235-S268 WeakPolarHBondContact CA-OG 3.35Å
236	A	98.3	Very high	97.8	Very high	20 Å²	20	58 Å²	58	17%	0.165	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-26.6	-179.8	0	0	0	0	0	113.2	R240 S268 A271 L272	A236-R240 VanDerWaalsContact O-CB 3.23Å; A236-R240 WeakPolarHBondContact O-CB 3.45Å; A236-R240 PolarHBondContact O-N 3.1Å; A236-S268 PolarHBondContact N-OG 3.34Å; A236-A271 HydrophobicContact CB-CB 4.43Å; A236-L272 HydrophobicContact CB-CG 4.39Å
237	D	98.5	Very high	97.8	Very high	101 Å²	101	54 Å²	54	54%	0.54	31%	0.305	S	S	.	.	H	α-helix	trans	-74.5	-43.8	179.9	-69.9	-15.1	0	0	0	110.5	D235 R240 A241	D235-D237 PolarHBondContact O-N 3.37Å; D235-D237 PolarHBondContact OD1-N 3.44Å; D237-R240 PolarHBondContact O-N 3.48Å; D237-R240 IonicContact OD1-CZ 3.76Å; D237-R240 IonicContact OD1-NH1 3.58Å; D237-R240 PolarHBondContact OD1-NH1 3.11Å; D237-R240 IonicContact OD1-NH2 3.43Å; D237-A241 WeakPolarHBondContact O-CB 3.36Å; D237-A241 PolarHBondContact O-N 2.75Å
238	M	98.6	Very high	97.6	Very high	17 Å²	17	59.8 Å²	59.8	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-47	171.7	-65.7	-177	-159.8	0	0	111.2	L187 T218 Y233 D235 A241 H242	L187-M238 HydrophobicContact CD2-CB 4.07Å; T218-M238 HydrophobicContact CG2-SD 4.29Å; Y233-M238 VanDerWaalsContact O-CE 3.24Å; Y233-M238 WeakPolarHBondContact O-CE 3.38Å; D235-M238 PolarHBondContact O-N 2.73Å; D235-M238 WeakPolarHBondContact OD1-CG 3.24Å; D235-M238 PolarHBondContact OD1-N 2.81Å; M238-A241 PolarHBondContact O-N 2.91Å; M238-H242 WeakPolarHBondContact O-CB 3.34Å; M238-H242 PolarHBondContact O-CD2 3.13Å; M238-H242 VanDerWaalsContact O-CD2 3.23Å; M238-H242 PolarHBondContact O-N 3.22Å
239	L	98.6	Very high	97.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-41.8	178.8	-64.5	-171.7	0	0	0	111.6	I158 L187 I234 D235 A241 H242 M243 S268 L269 L272	I158-L239 HydrophobicContact CD1-CD1 4.13Å; I158-L239 HydrophobicContact CD1-CD2 3.59Å; I158-L239 HydrophobicContact CG1-CD2 4.07Å; L187-L239 HydrophobicContact CD2-CD2 3.61Å; I234-L239 HydrophobicContact CG2-CD1 4.33Å; I234-L239 HydrophobicContact CG2-CD2 3.86Å; I234-L239 HydrophobicContact CG2-CG 4Å; D235-L239 WeakPolarHBondContact O-CG 3.31Å; D235-L239 PolarHBondContact O-N 3.3Å; D235-L239 VanDerWaalsContact O-N 3.08Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-A241 PolarHBondContact O-N 2.79Å; L239-H242 PolarHBondContact O-N 2.79Å; L239-M243 HydrophobicContact CB-CG 4.38Å; L239-M243 HydrophobicContact CD2-CG 3.83Å; L239-M243 WeakPolarHBondContact O-CB 3.47Å; L239-M243 PolarHBondContact O-N 3.41Å; L239-S268 VanDerWaalsContact CD1-CB 3.46Å; L239-L269 HydrophobicContact CD1-CD2 3.81Å; L239-L269 HydrophobicContact CD1-CG 3.83Å; L239-L272 HydrophobicContact CB-CD1 3.54Å
240	R	98.4	Very high	97.4	Very high	145 Å²	145	55.3 Å²	55.3	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-38.4	176.8	-170.3	-176.6	-55	103.2	2.4	112.2	A236 D237 L272	A236-R240 VanDerWaalsContact O-CB 3.23Å; A236-R240 WeakPolarHBondContact O-CB 3.45Å; A236-R240 PolarHBondContact O-N 3.1Å; D237-R240 PolarHBondContact O-N 3.48Å; D237-R240 IonicContact OD1-CZ 3.76Å; D237-R240 IonicContact OD1-NH1 3.58Å; D237-R240 PolarHBondContact OD1-NH1 3.11Å; D237-R240 IonicContact OD1-NH2 3.43Å; R240-L272 HydrophobicContact CB-CD1 4.24Å; R240-L272 HydrophobicContact CB-CD2 4.03Å; R240-L272 HydrophobicContact CG-CD2 4.34Å
241	A	98.3	Very high	97.4	Very high	71 Å²	71	55 Å²	55	59%	0.587	32%	0.318	S	S	*	.	H	α-helix	trans	-75.5	-33.7	-178.4	0	0	0	0	0	113.1	D237 M238 L239	D237-A241 WeakPolarHBondContact O-CB 3.36Å; D237-A241 PolarHBondContact O-N 2.75Å; M238-A241 PolarHBondContact O-N 2.91Å; L239-A241 VanDerWaalsContact C-N 3.3Å; L239-A241 PolarHBondContact O-N 2.79Å
242	H	98.3	Very high	97.4	Very high	46 Å²	46	51.7 Å²	51.7	21%	0.213	30%	0.298	C	S	.	.	H	α-helix	trans	-119.3	-13.6	-166.3	-58	-61.1	0	0	0	115.4	H185 W216 M238 L239	H185-H242 WeakPolarHBondContact CB-O 3.18Å; H185-H242 PolarHBondContact ND1-O 3.12Å; W216-H242 HydrophobicContact CB-CB 4.12Å; W216-H242 AromaticContact CD1-CD2 3.44Å; W216-H242 VanDerWaalsContact CD1-CD2 3.44Å; W216-H242 AromaticContact CD1-CG 3.91Å; W216-H242 AromaticContact CD1-NE2 3.55Å; W216-H242 AromaticContact CD2-CD2 3.92Å; W216-H242 AromaticContact CD2-CE1 3.16Å; W216-H242 AromaticContact CD2-CG 3.97Å; W216-H242 AromaticContact CD2-ND1 3.51Å; W216-H242 AromaticContact CD2-NE2 3.45Å; W216-H242 AromaticContact CE2-CD2 3.95Å; W216-H242 AromaticContact CE2-CE1 3.3Å; W216-H242 AromaticContact CE2-NE2 3.19Å; W216-H242 AromaticContact CE3-CE1 3.43Å; W216-H242 VanDerWaalsContact CE3-CE1 3.43Å; W216-H242 AromaticContact CE3-ND1 3.71Å; W216-H242 HydrophobicContact CG-CB 4.41Å; W216-H242 AromaticContact CG-CD2 3.6Å; W216-H242 AromaticContact CG-CE1 3.66Å; W216-H242 AromaticContact CG-CG 3.61Å; W216-H242 AromaticContact CG-ND1 3.64Å; W216-H242 AromaticContact CG-NE2 3.66Å; W216-H242 AromaticContact CH2-CE1 3.92Å; W216-H242 AromaticContact CZ2-CE1 3.69Å; W216-H242 AromaticContact CZ2-NE2 3.72Å; W216-H242 AromaticContact CZ3-CE1 3.8Å; W216-H242 AromaticContact NE1-CD2 3.63Å; W216-H242 AromaticContact NE1-CE1 3.8Å; W216-H242 AromaticContact NE1-NE2 3.24Å; W216-H242 PolarHBondContact NE1-NE2 3.45Å; M238-H242 WeakPolarHBondContact O-CB 3.34Å; M238-H242 PolarHBondContact O-CD2 3.13Å; M238-H242 VanDerWaalsContact O-CD2 3.23Å; M238-H242 PolarHBondContact O-N 3.22Å; L239-H242 PolarHBondContact O-N 2.79Å
243	M	98.3	Very high	97.4	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.044	29%	0.288	C	S	.	.	S	Bend	trans	-98.8	153.8	176.5	-67.1	-66.9	136.8	0	0	112.9	G156 M157 I158 H185 L187 L239 I252 Y274	G156-M243 WeakPolarHBondContact CA-SD 3.27Å; M157-M243 WeakPolarHBondContact O-CE 3.21Å; I158-M243 HydrophobicContact CG1-CE 4.31Å; I158-M243 HydrophobicContact CG1-SD 4.45Å; H185-M243 HydrophobicContact CB-CE 4.46Å; H185-M243 HydrophobicContact CB-SD 4.23Å; L187-M243 HydrophobicContact CB-CE 3.32Å; L187-M243 VanDerWaalsContact N-CE 3.27Å; L239-M243 HydrophobicContact CB-CG 4.38Å; L239-M243 HydrophobicContact CD2-CG 3.83Å; L239-M243 WeakPolarHBondContact O-CB 3.47Å; L239-M243 PolarHBondContact O-N 3.41Å; M243-I252 HydrophobicContact SD-CD1 4.48Å; M243-Y274 WeakPolarHBondContact CB-OH 3.21Å
244	P	97.7	Very high	97.4	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.078	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65	132.6	171.2	28	-35.3	0	0	0	110.4	V250 I252 Y274	P244-V250 HydrophobicContact CB-CG1 4.16Å; P244-V250 HydrophobicContact CB-CG2 4.12Å; P244-V250 HydrophobicContact CG-CG1 3.65Å; P244-V250 HydrophobicContact CG-CG2 4.46Å; P244-I252 HydrophobicContact CG-CD1 4.43Å; P244-Y274 WeakPolarHBondContact O-CE1 3.41Å; P244-Y274 PolarHBondContact O-OH 3.2Å
245	S	97.4	Very high	97.4	Very high	100 Å²	100	43.4 Å²	43.4	70%	0.699	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-53.5	146.8	178.7	-52.8	0	0	0	0	112.6	A247	S245-A247 PolarHBondContact O-N 3.31Å; S245-A247 VanDerWaalsContact O-N 3.16Å
246	A	96.5	Very high	97.4	Very high	47 Å²	47	41.3 Å²	41.3	39%	0.388	26%	0.255	S	S	.	.	S	Bend	trans	-53.6	120.9	179.2	0	0	0	0	0	111.5	Y274	A246-Y274 HydrophobicContact CB-CD1 3.85Å; A246-Y274 HydrophobicContact CB-CD2 4.38Å; A246-Y274 HydrophobicContact CB-CE1 4.14Å; A246-Y274 HydrophobicContact CB-CG 4.01Å
247	A	95.5	Very high	97.2	Very high	38 Å²	38	44 Å²	44	31%	0.314	27%	0.271	S	S	.	.			trans	-154.3	159.8	178.7	0	0	0	0	0	110.4	S245 D249 V250	S245-A247 PolarHBondContact O-N 3.31Å; S245-A247 VanDerWaalsContact O-N 3.16Å; A247-D249 WeakPolarHBondContact CB-OD1 3.43Å; A247-D249 PolarHBondContact O-N 3.19Å; A247-V250 HydrophobicContact CB-CG2 3.9Å; A247-V250 PolarHBondContact O-N 2.92Å; A247-V250 VanDerWaalsContact O-N 3.16Å
248	P	92.9	Very high	97.1	Very high	144 Å²	144	43.6 Å²	43.6	94%	0.935	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.5	-178.7	-25	35.5	0	0	0	115.1
249	D	94.7	Very high	96.9	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.241	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	16	179.6	61.3	-11.6	0	0	0	113	V152 R153 S154 A247	V152-D249 CarbonylContact C-O 3.57Å; V152-D249 WeakPolarHBondContact CA-O 3.41Å; R153-D249 HydrophobicContact CB-CB 4.26Å; R153-D249 WeakPolarHBondContact CD-OD2 3.38Å; R153-D249 HydrophobicContact CG-CB 4.18Å; R153-D249 WeakPolarHBondContact CG-OD2 3.46Å; R153-D249 PolarHBondContact N-O 3.07Å; R153-D249 IonicContact NE-OD2 3.68Å; R153-D249 IonicContact NH1-OD2 3.27Å; S154-D249 PolarHBondContact N-O 3.37Å; A247-D249 WeakPolarHBondContact CB-OD1 3.43Å; A247-D249 PolarHBondContact O-N 3.19Å
250	V	96.3	Very high	96.9	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.2	176.3	172.2	0	0	0	0	109.9	S154 P244 A247 I252 Y274 S278	S154-V250 WeakPolarHBondContact O-CA 3.42Å; P244-V250 HydrophobicContact CB-CG1 4.16Å; P244-V250 HydrophobicContact CB-CG2 4.12Å; P244-V250 HydrophobicContact CG-CG1 3.65Å; P244-V250 HydrophobicContact CG-CG2 4.46Å; A247-V250 HydrophobicContact CB-CG2 3.9Å; A247-V250 PolarHBondContact O-N 2.92Å; A247-V250 VanDerWaalsContact O-N 3.16Å; V250-I252 HydrophobicContact CG1-CD1 4.1Å; V250-Y274 HydrophobicContact CG1-CE1 4.36Å; V250-S278 WeakPolarHBondContact O-CB 3.3Å
251	L	96.9	Very high	96.9	Very high	19 Å²	19	39.5 Å²	39.5	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.6	170.1	172.8	65.5	0	0	0	110.2	L138 L146 V152 S154 V155 G156 M253 F280	L138-L251 HydrophobicContact CD1-CD2 4.29Å; L146-L251 HydrophobicContact CD1-CD2 3.38Å; V152-L251 HydrophobicContact CG1-CB 3.73Å; S154-L251 PolarHBondContact O-N 2.7Å; S154-L251 VanDerWaalsContact O-N 3.08Å; V155-L251 CarbonylContact C-O 3.54Å; V155-L251 WeakPolarHBondContact CA-O 3.44Å; V155-L251 HydrophobicContact CG1-CB 4.4Å; G156-L251 PolarHBondContact N-O 2.81Å; L251-M253 HydrophobicContact CD2-CE 3.45Å; L251-M253 VanDerWaalsContact CD2-CE 3.45Å; L251-M253 HydrophobicContact CD2-CG 4.13Å; L251-M253 HydrophobicContact CG-CE 4.19Å; L251-M253 HydrophobicContact CG-CG 4.09Å; L251-F280 HydrophobicContact CD1-CB 4.07Å
252	I	98	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.2	169.8	-56.3	-57.2	0	0	0	109	G156 I158 M243 P244 V250 M254 L269 Y274 S278 V279 F280	G156-I252 CarbonylContact O-C 3.47Å; G156-I252 VanDerWaalsContact O-CA 3.26Å; G156-I252 WeakPolarHBondContact O-CA 3.31Å; I158-I252 HydrophobicContact CD1-CG2 4.04Å; I158-I252 HydrophobicContact CG1-CG2 4.44Å; M243-I252 HydrophobicContact SD-CD1 4.48Å; P244-I252 HydrophobicContact CG-CD1 4.43Å; V250-I252 HydrophobicContact CG1-CD1 4.1Å; I252-M254 HydrophobicContact CG2-CG 4.14Å; I252-L269 HydrophobicContact CG1-CD2 4.17Å; I252-L269 HydrophobicContact CG2-CD1 3.85Å; I252-L269 HydrophobicContact CG2-CD2 4.12Å; I252-Y274 HydrophobicContact CD1-CD1 4.17Å; I252-Y274 HydrophobicContact CD1-CE1 3.63Å; I252-Y274 HydrophobicContact CG1-CD1 3.6Å; I252-Y274 HydrophobicContact CG1-CE1 3.61Å; I252-Y274 HydrophobicContact CG1-CG 4.44Å; I252-S278 PolarHBondContact N-O 3.24Å; I252-V279 HydrophobicContact CB-CG2 4.24Å; I252-V279 CarbonylContact O-C 3.47Å; I252-V279 WeakPolarHBondContact O-CA 3.4Å; I252-F280 PolarHBondContact O-N 3.47Å
253	M	98.1	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.1	174.5	-56.2	-179.7	-165.5	0	0	109.7	L138 V155 G156 M157 I158 M167 V170 M174 L251 F280 F282	L138-M253 HydrophobicContact CD1-CE 4.16Å; L138-M253 HydrophobicContact CD1-SD 4.29Å; V155-M253 HydrophobicContact CB-CE 4.31Å; V155-M253 HydrophobicContact CG1-CE 3.86Å; G156-M253 PolarHBondContact O-N 2.98Å; M157-M253 CarbonylContact C-O 3.27Å; M157-M253 WeakPolarHBondContact CA-O 3.12Å; M157-M253 HydrophobicContact CE-SD 4.22Å; I158-M253 PolarHBondContact N-O 3.37Å; M167-M253 VanDerWaalsContact CE-C 3.49Å; M167-M253 HydrophobicContact CE-CB 3.86Å; M167-M253 WeakPolarHBondContact CE-O 3.38Å; M167-M253 HydrophobicContact SD-CB 3.81Å; V170-M253 HydrophobicContact CG1-CE 4.19Å; V170-M253 HydrophobicContact CG1-SD 4.34Å; M174-M253 HydrophobicContact CE-CE 4.44Å; L251-M253 HydrophobicContact CD2-CE 3.45Å; L251-M253 VanDerWaalsContact CD2-CE 3.45Å; L251-M253 HydrophobicContact CD2-CG 4.13Å; L251-M253 HydrophobicContact CG-CE 4.19Å; L251-M253 HydrophobicContact CG-CG 4.09Å; M253-F280 CarbonylContact C-O 3.54Å; M253-F280 WeakPolarHBondContact CA-O 3.25Å; M253-F282 HydrophobicContact CB-CE2 3.91Å; M253-F282 HydrophobicContact CG-CE2 4.4Å; M253-F282 HydrophobicContact SD-CE2 4.12Å; M253-F282 HydrophobicContact SD-CZ 4.13Å
254	M	98.3	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.8	179.3	-53.2	-171.5	-70.4	0	0	112	I158 I252 I261 A265 K266 L269 V279 F280 V281 F282	I158-M254 HydrophobicContact CB-CG 4.06Å; I158-M254 HydrophobicContact CD1-CG 4.2Å; I158-M254 HydrophobicContact CD1-SD 4.09Å; I158-M254 HydrophobicContact CG1-CG 4.46Å; I158-M254 VanDerWaalsContact O-CA 3.32Å; I158-M254 WeakPolarHBondContact O-CA 3.2Å; I252-M254 HydrophobicContact CG2-CG 4.14Å; M254-I261 HydrophobicContact CE-CG2 4.29Å; M254-A265 HydrophobicContact SD-CB 3.65Å; M254-K266 HydrophobicContact CE-CG 3.75Å; M254-L269 HydrophobicContact CE-CD1 4.21Å; M254-L269 HydrophobicContact SD-CD1 3.63Å; M254-V279 HydrophobicContact CE-CG1 3.3Å; M254-V279 HydrophobicContact SD-CG1 4.36Å; M254-F280 PolarHBondContact N-O 3.38Å; M254-V281 HydrophobicContact CB-CG2 4.39Å; M254-V281 HydrophobicContact CE-CG2 3.53Å; M254-V281 WeakPolarHBondContact O-CA 3.15Å; M254-F282 PolarHBondContact O-N 3.3Å
255	C	98.2	Very high	96.8	Very high	25 Å²	25	46.2 Å²	46.2	17%	0.169	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	132.4	169.2	-169.2	0	0	0	0	110.3	I158 A159 G160 G163 P166 M167 F282	I158-C255 PolarHBondContact O-N 3.07Å; I158-C255 VanDerWaalsContact O-N 3.08Å; A159-C255 CarbonylContact C-O 3.55Å; A159-C255 WeakPolarHBondContact CA-O 3.47Å; G160-C255 PolarHBondContact N-O 3.4Å; G163-C255 WeakPolarHBondContact O-CB 3.37Å; P166-C255 HydrophobicContact CG-CB 3.74Å; M167-C255 HydrophobicContact CE-CB 3.82Å; C255-F282 HydrophobicContact CB-CB 4.03Å; C255-F282 HydrophobicContact CB-CD2 4.12Å; C255-F282 HydrophobicContact CB-CG 4.48Å
256	G	97.2	Very high	96.9	Very high	20 Å²	20	45.2 Å²	45.2	21%	0.206	27%	0.27	C	S	.	.	S	Bend	trans	162.5	-170.1	-178.6	0	0	0	0	0	112.3	I261	G256-I261 VanDerWaalsContact O-CD1 3.28Å; G256-I261 WeakPolarHBondContact O-CD1 3.26Å
257	P	94.9	Very high	96.9	Very high	75 Å²	75	45.7 Å²	45.7	49%	0.487	27%	0.269	S	S	.	.			trans	-58.8	145	179.6	-24.2	34.4	0	0	0	112.2	G259 M260 I261	P257-G259 PolarHBondContact O-N 3.13Å; P257-G259 VanDerWaalsContact O-N 3.08Å; P257-M260 WeakPolarHBondContact O-CB 3.47Å; P257-M260 PolarHBondContact O-N 2.94Å; P257-I261 PolarHBondContact O-N 2.86Å; P257-I261 VanDerWaalsContact O-N 3.13Å
258	P	95.6	Very high	97.1	Very high	93 Å²	93	44.6 Å²	44.6	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-54.5	-32.8	179.8	-28.5	35.1	0	0	0	114.1	I261 N262	P258-I261 PolarHBondContact O-N 2.88Å; P258-N262 WeakPolarHBondContact O-CB 3.37Å; P258-N262 PolarHBondContact O-N 2.95Å; P258-N262 PolarHBondContact O-ND2 2.88Å
259	G	95.4	Very high	97.3	Very high	37 Å²	37	37.8 Å²	37.8	38%	0.381	22%	0.215	S	C	.	.	H	α-helix	trans	-63.5	-43.1	176.7	0	0	0	0	0	112.9	P257 Y263	P257-G259 PolarHBondContact O-N 3.13Å; P257-G259 VanDerWaalsContact O-N 3.08Å; G259-Y263 WeakPolarHBondContact O-CB 3.38Å; G259-Y263 PolarHBondContact O-N 2.99Å; G259-Y263 VanDerWaalsContact O-N 3.09Å
260	M	97.4	Very high	97.5	Very high	25 Å²	25	40.3 Å²	40.3	12%	0.123	23%	0.229	C	C	.	.	I	π-helix	trans	-64.4	-46.6	175.1	-174.7	-163.1	80.1	0	0	111	I158 G160 A189 I234 P257 A264 A265	I158-M260 HydrophobicContact CG2-CE 4.27Å; G160-M260 WeakPolarHBondContact CA-SD 3.37Å; A189-M260 HydrophobicContact CB-SD 4.18Å; I234-M260 HydrophobicContact CD1-CG 3.68Å; I234-M260 HydrophobicContact CD1-SD 3.71Å; P257-M260 WeakPolarHBondContact O-CB 3.47Å; P257-M260 PolarHBondContact O-N 2.94Å; M260-A264 WeakPolarHBondContact O-CB 3.22Å; M260-A264 PolarHBondContact O-N 3.45Å; M260-A265 PolarHBondContact O-N 2.69Å
261	I	98.2	Very high	97.6	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.077	25%	0.253	C	S	.	.	I	π-helix	trans	-66.5	-51.9	-175.9	-63.7	174.7	0	0	0	110.9	M254 G256 P257 P258 K266 V281	M254-I261 HydrophobicContact CE-CG2 4.29Å; G256-I261 VanDerWaalsContact O-CD1 3.28Å; G256-I261 WeakPolarHBondContact O-CD1 3.26Å; P257-I261 PolarHBondContact O-N 2.86Å; P257-I261 VanDerWaalsContact O-N 3.13Å; P258-I261 PolarHBondContact O-N 2.88Å; I261-K266 HydrophobicContact CG2-CD 4.21Å; I261-K266 HydrophobicContact CG2-CG 4.43Å; I261-K266 WeakPolarHBondContact O-CB 3.44Å; I261-K266 WeakPolarHBondContact O-CG 3.47Å; I261-K266 PolarHBondContact O-N 3.42Å; I261-V281 HydrophobicContact CD1-CG1 3.89Å; I261-V281 HydrophobicContact CG2-CG1 4.38Å; I261-V281 HydrophobicContact CG2-CG2 4.38Å
262	N	98	Very high	97.6	Very high	71 Å²	71	43.8 Å²	43.8	38%	0.38	26%	0.256	S	S	.	.	I	π-helix	trans	-88.6	-25.2	-166.9	-63.3	-39.3	0	0	0	114	P258 K266 P267	P258-N262 WeakPolarHBondContact O-CB 3.37Å; P258-N262 PolarHBondContact O-N 2.95Å; P258-N262 PolarHBondContact O-ND2 2.88Å; N262-K266 PolarHBondContact OD1-NZ 3.4Å; N262-K266 VanDerWaalsContact OD1-NZ 3.16Å; N262-P267 WeakPolarHBondContact O-CD 3.45Å
263	Y	97.6	Very high	97.6	Very high	194 Å²	194	51.2 Å²	51.2	76%	0.761	29%	0.293	S	S	*	.	I	π-helix	trans	-113.3	-13.5	-175.2	-51.9	-56.1	0	0	0	114.2	G259	G259-Y263 WeakPolarHBondContact O-CB 3.38Å; G259-Y263 PolarHBondContact O-N 2.99Å; G259-Y263 VanDerWaalsContact O-N 3.09Å
264	A	97.9	Very high	97.6	Very high	13 Å²	13	51.8 Å²	51.8	11%	0.107	30%	0.295	C	S	.	.	I	π-helix	trans	-116.7	-63.5	178.9	0	0	0	0	0	111.4	I234 M260 S268	I234-A264 HydrophobicContact CB-CB 4.26Å; I234-A264 WeakPolarHBondContact O-CB 3.13Å; M260-A264 WeakPolarHBondContact O-CB 3.22Å; M260-A264 PolarHBondContact O-N 3.45Å; A264-S268 VanDerWaalsContact O-CB 3.24Å; A264-S268 WeakPolarHBondContact O-CB 3.2Å; A264-S268 PolarHBondContact O-N 2.97Å; A264-S268 PolarHBondContact O-OG 3.44Å
265	A	98.2	Very high	97.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.314	C	S	.	.	I	π-helix	trans	-69.8	-53.7	-172.1	0	0	0	0	0	113.4	I158 M254 M260 S268 L269	I158-A265 HydrophobicContact CD1-CB 4.16Å; I158-A265 HydrophobicContact CG2-CB 4.13Å; M254-A265 HydrophobicContact SD-CB 3.65Å; M260-A265 PolarHBondContact O-N 2.69Å; A265-S268 PolarHBondContact O-N 2.79Å; A265-L269 WeakPolarHBondContact O-CG 3.2Å; A265-L269 PolarHBondContact O-N 3.34Å
266	K	98.1	Very high	97.2	Very high	79 Å²	79	58.4 Å²	58.4	34%	0.343	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-51.8	-179.1	-78.5	176.8	178.4	172.8	0	113.2	M254 I261 N262 S268 L269 D270	M254-K266 HydrophobicContact CE-CG 3.75Å; I261-K266 HydrophobicContact CG2-CD 4.21Å; I261-K266 HydrophobicContact CG2-CG 4.43Å; I261-K266 WeakPolarHBondContact O-CB 3.44Å; I261-K266 WeakPolarHBondContact O-CG 3.47Å; I261-K266 PolarHBondContact O-N 3.42Å; N262-K266 PolarHBondContact OD1-NZ 3.4Å; N262-K266 VanDerWaalsContact OD1-NZ 3.16Å; K266-S268 PolarHBondContact O-N 2.81Å; K266-L269 PolarHBondContact O-N 3.29Å; K266-L269 VanDerWaalsContact O-N 3.12Å; K266-D270 VanDerWaalsContact O-CG 3.31Å; K266-D270 PolarHBondContact O-N 2.9Å
267	P	98.2	Very high	97	Very high	58 Å²	58	62.6 Å²	62.6	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-35.7	176.8	-25.9	35.7	0	0	0	113.4	N262 D270 A271	N262-P267 WeakPolarHBondContact O-CD 3.45Å; P267-D270 PolarHBondContact O-N 3.23Å; P267-A271 WeakPolarHBondContact O-CB 3.23Å; P267-A271 PolarHBondContact O-N 3.15Å
268	S	98.5	Very high	96.9	Very high	14 Å²	14	59.8 Å²	59.8	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-71	-37	178.2	-60.4	0	0	0	0	112.4	D235 A236 L239 A264 A265 K266 L272	D235-S268 VanDerWaalsContact C-OG 3.28Å; D235-S268 WeakPolarHBondContact CA-OG 3.35Å; A236-S268 PolarHBondContact N-OG 3.34Å; L239-S268 VanDerWaalsContact CD1-CB 3.46Å; A264-S268 VanDerWaalsContact O-CB 3.24Å; A264-S268 WeakPolarHBondContact O-CB 3.2Å; A264-S268 PolarHBondContact O-N 2.97Å; A264-S268 PolarHBondContact O-OG 3.44Å; A265-S268 PolarHBondContact O-N 2.79Å; K266-S268 PolarHBondContact O-N 2.81Å; S268-L272 VanDerWaalsContact O-CG 3.31Å; S268-L272 WeakPolarHBondContact O-CG 3.34Å; S268-L272 PolarHBondContact O-N 3.24Å
269	L	98.4	Very high	96.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-41	172.6	-70.7	169.4	0	0	0	111.5	I158 L239 I252 M254 A265 K266 A271 L272 M273 Y274 V279	I158-L269 HydrophobicContact CD1-CD1 4.14Å; I158-L269 HydrophobicContact CD1-CD2 4.34Å; I158-L269 HydrophobicContact CD1-CG 4.38Å; L239-L269 HydrophobicContact CD1-CD2 3.81Å; L239-L269 HydrophobicContact CD1-CG 3.83Å; I252-L269 HydrophobicContact CG1-CD2 4.17Å; I252-L269 HydrophobicContact CG2-CD1 3.85Å; I252-L269 HydrophobicContact CG2-CD2 4.12Å; M254-L269 HydrophobicContact CE-CD1 4.21Å; M254-L269 HydrophobicContact SD-CD1 3.63Å; A265-L269 WeakPolarHBondContact O-CG 3.2Å; A265-L269 PolarHBondContact O-N 3.34Å; K266-L269 PolarHBondContact O-N 3.29Å; K266-L269 VanDerWaalsContact O-N 3.12Å; L269-A271 VanDerWaalsContact C-N 3.35Å; L269-A271 PolarHBondContact O-N 2.89Å; L269-L272 CarbonylContact O-C 3.53Å; L269-L272 PolarHBondContact O-N 2.66Å; L269-L272 VanDerWaalsContact O-N 3.09Å; L269-M273 PolarHBondContact O-N 2.98Å; L269-M273 VanDerWaalsContact O-N 3.14Å; L269-Y274 HydrophobicContact CB-CD2 4.14Å; L269-Y274 HydrophobicContact CB-CG 4.47Å; L269-Y274 HydrophobicContact CD2-CD1 4.32Å; L269-Y274 HydrophobicContact CD2-CD2 3.48Å; L269-Y274 VanDerWaalsContact CD2-CD2 3.48Å; L269-Y274 HydrophobicContact CD2-CE1 4.45Å; L269-Y274 HydrophobicContact CD2-CE2 3.63Å; L269-Y274 HydrophobicContact CD2-CG 3.82Å; L269-Y274 HydrophobicContact CG-CD2 4.43Å; L269-Y274 WeakPolarHBondContact O-CD2 3.26Å; L269-Y274 PolarHBondContact O-N 2.86Å; L269-Y274 VanDerWaalsContact O-N 3.16Å; L269-V279 HydrophobicContact CD1-CG1 4.26Å; L269-V279 HydrophobicContact CD1-CG2 4.14Å
270	D	97.8	Very high	96.9	Very high	98 Å²	98	57.5 Å²	57.5	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-44.2	176.4	-67.2	-22.2	0	0	0	110.8	K266 P267 L272 M273	K266-D270 VanDerWaalsContact O-CG 3.31Å; K266-D270 PolarHBondContact O-N 2.9Å; P267-D270 PolarHBondContact O-N 3.23Å; D270-L272 PolarHBondContact O-N 3.08Å; D270-M273 PolarHBondContact O-N 2.81Å
271	A	97.9	Very high	96.9	Very high	69 Å²	69	58.8 Å²	58.8	57%	0.57	33%	0.33	S	S	*	.	H	α-helix	trans	-62.4	-23.6	175.4	0	0	0	0	0	113.6	A236 P267 L269	A236-A271 HydrophobicContact CB-CB 4.43Å; P267-A271 WeakPolarHBondContact O-CB 3.23Å; P267-A271 PolarHBondContact O-N 3.15Å; L269-A271 VanDerWaalsContact C-N 3.35Å; L269-A271 PolarHBondContact O-N 2.89Å
272	L	98	Very high	96.7	Very high	32 Å²	32	61.5 Å²	61.5	17%	0.168	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.4	176.4	-64.8	176.8	0	0	0	113.2	A236 L239 R240 S268 L269 D270 Y274	A236-L272 HydrophobicContact CB-CG 4.39Å; L239-L272 HydrophobicContact CB-CD1 3.54Å; R240-L272 HydrophobicContact CB-CD1 4.24Å; R240-L272 HydrophobicContact CB-CD2 4.03Å; R240-L272 HydrophobicContact CG-CD2 4.34Å; S268-L272 VanDerWaalsContact O-CG 3.31Å; S268-L272 WeakPolarHBondContact O-CG 3.34Å; S268-L272 PolarHBondContact O-N 3.24Å; L269-L272 CarbonylContact O-C 3.53Å; L269-L272 PolarHBondContact O-N 2.66Å; L269-L272 VanDerWaalsContact O-N 3.09Å; D270-L272 PolarHBondContact O-N 3.08Å; L272-Y274 VanDerWaalsContact C-N 3.29Å; L272-Y274 HydrophobicContact CB-CD2 3.77Å; L272-Y274 HydrophobicContact CB-CE2 3.64Å; L272-Y274 HydrophobicContact CD1-CE2 4.06Å; L272-Y274 PolarHBondContact O-N 3.3Å
273	M	97.5	Very high	96.6	Very high	156 Å²	156	61 Å²	61	77%	0.768	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	30	173.8	-52.6	-62	-63.5	0	0	114.4	L269 D270	L269-M273 PolarHBondContact O-N 2.98Å; L269-M273 VanDerWaalsContact O-N 3.14Å; D270-M273 PolarHBondContact O-N 2.81Å
274	Y	97.5	Very high	96.6	Very high	12 Å²	12	54 Å²	54	5%	0.047	32%	0.317	C	S	.	.			trans	-67.2	138.4	168.1	-72.1	-95.6	0	0	0	110	M243 P244 A246 V250 I252 L269 L272	M243-Y274 WeakPolarHBondContact CB-OH 3.21Å; P244-Y274 WeakPolarHBondContact O-CE1 3.41Å; P244-Y274 PolarHBondContact O-OH 3.2Å; A246-Y274 HydrophobicContact CB-CD1 3.85Å; A246-Y274 HydrophobicContact CB-CD2 4.38Å; A246-Y274 HydrophobicContact CB-CE1 4.14Å; A246-Y274 HydrophobicContact CB-CG 4.01Å; V250-Y274 HydrophobicContact CG1-CE1 4.36Å; I252-Y274 HydrophobicContact CD1-CD1 4.17Å; I252-Y274 HydrophobicContact CD1-CE1 3.63Å; I252-Y274 HydrophobicContact CG1-CD1 3.6Å; I252-Y274 HydrophobicContact CG1-CE1 3.61Å; I252-Y274 HydrophobicContact CG1-CG 4.44Å; L269-Y274 HydrophobicContact CB-CD2 4.14Å; L269-Y274 HydrophobicContact CB-CG 4.47Å; L269-Y274 HydrophobicContact CD2-CD1 4.32Å; L269-Y274 HydrophobicContact CD2-CD2 3.48Å; L269-Y274 VanDerWaalsContact CD2-CD2 3.48Å; L269-Y274 HydrophobicContact CD2-CE1 4.45Å; L269-Y274 HydrophobicContact CD2-CE2 3.63Å; L269-Y274 HydrophobicContact CD2-CG 3.82Å; L269-Y274 HydrophobicContact CG-CD2 4.43Å; L269-Y274 WeakPolarHBondContact O-CD2 3.26Å; L269-Y274 PolarHBondContact O-N 2.86Å; L269-Y274 VanDerWaalsContact O-N 3.16Å; L272-Y274 VanDerWaalsContact C-N 3.29Å; L272-Y274 HydrophobicContact CB-CD2 3.77Å; L272-Y274 HydrophobicContact CB-CE2 3.64Å; L272-Y274 HydrophobicContact CD1-CE2 4.06Å; L272-Y274 PolarHBondContact O-N 3.3Å
275	S	94.9	Very high	96.5	Very high	55 Å²	55	56.3 Å²	56.3	39%	0.385	33%	0.329	S	S	.	.			trans	-68.3	137.7	174.6	179.7	0	0	0	0	110	S277 S278	S275-S277 PolarHBondContact O-N 2.49Å; S275-S277 VanDerWaalsContact O-N 3.09Å; S275-S277 PolarHBondContact OG-N 2.81Å; S275-S277 PolarHBondContact OG-OG 2.97Å; S275-S278 PolarHBondContact N-OG 2.88Å; S275-S278 PolarHBondContact O-N 3.05Å; S275-S278 PolarHBondContact O-OG 3.41Å
276	P	93.8	Very high	96.4	Very high	108 Å²	108	59.6 Å²	59.6	70%	0.701	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-54.9	-28.9	170.5	-27	35.4	0	0	0	113.2	S278 V279	P276-S278 VanDerWaalsContact C-N 3.29Å; P276-S278 PolarHBondContact O-N 2.92Å; P276-V279 PolarHBondContact O-N 2.89Å
277	S	92.5	Very high	96.3	Very high	109 Å²	109	58.4 Å²	58.4	76%	0.762	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-73.3	-18.4	177.1	68	0	0	0	0	114	S275 V279	S275-S277 PolarHBondContact O-N 2.49Å; S275-S277 VanDerWaalsContact O-N 3.09Å; S275-S277 PolarHBondContact OG-N 2.81Å; S275-S277 PolarHBondContact OG-OG 2.97Å; S277-V279 VanDerWaalsContact C-N 3.33Å
278	S	93.6	Very high	96.2	Very high	15 Å²	15	58.4 Å²	58.4	11%	0.105	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-94.5	11.2	176	67.8	0	0	0	0	112.2	V250 I252 S275 P276	V250-S278 WeakPolarHBondContact O-CB 3.3Å; I252-S278 PolarHBondContact N-O 3.24Å; S275-S278 PolarHBondContact N-OG 2.88Å; S275-S278 PolarHBondContact O-N 3.05Å; S275-S278 PolarHBondContact O-OG 3.41Å; P276-S278 VanDerWaalsContact C-N 3.29Å; P276-S278 PolarHBondContact O-N 2.92Å
279	V	95.8	Very high	96	Very high	38 Å²	38	61.6 Å²	61.6	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.2	-178.2	-179.5	0	0	0	0	109.5	I252 M254 L269 P276 S277	I252-V279 HydrophobicContact CB-CG2 4.24Å; I252-V279 CarbonylContact O-C 3.47Å; I252-V279 WeakPolarHBondContact O-CA 3.4Å; M254-V279 HydrophobicContact CE-CG1 3.3Å; M254-V279 HydrophobicContact SD-CG1 4.36Å; L269-V279 HydrophobicContact CD1-CG1 4.26Å; L269-V279 HydrophobicContact CD1-CG2 4.14Å; P276-V279 PolarHBondContact O-N 2.89Å; S277-V279 VanDerWaalsContact C-N 3.33Å
280	F	95.9	Very high	95.8	Very high	44 Å²	44	66.2 Å²	66.2	19%	0.193	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133	175.9	-176.3	-96.9	0	0	0	110.3	L137 L138 L251 I252 M253 M254 F282	L137-F280 HydrophobicContact CB-CE2 4.03Å; L137-F280 HydrophobicContact CB-CZ 4.3Å; L138-F280 HydrophobicContact CB-CD1 4.28Å; L138-F280 HydrophobicContact CB-CE1 3.7Å; L138-F280 HydrophobicContact CB-CE2 4.06Å; L138-F280 HydrophobicContact CB-CZ 3.59Å; L138-F280 HydrophobicContact CD1-CD1 3.63Å; L138-F280 HydrophobicContact CD1-CD2 4.42Å; L138-F280 HydrophobicContact CD1-CE1 3.91Å; L138-F280 HydrophobicContact CD1-CG 3.92Å; L138-F280 HydrophobicContact CD1-CZ 4.43Å; L138-F280 HydrophobicContact CG-CE1 4.45Å; L251-F280 HydrophobicContact CD1-CB 4.07Å; I252-F280 PolarHBondContact O-N 3.47Å; M253-F280 CarbonylContact C-O 3.54Å; M253-F280 WeakPolarHBondContact CA-O 3.25Å; M254-F280 PolarHBondContact N-O 3.38Å; F280-F282 HydrophobicContact CD1-CD1 4.47Å; F280-F282 HydrophobicContact CD1-CD2 4.21Å; F280-F282 HydrophobicContact CD1-CE1 4.47Å; F280-F282 HydrophobicContact CD1-CE2 4.25Å; F280-F282 HydrophobicContact CD1-CG 4.33Å; F280-F282 HydrophobicContact CD1-CZ 4.36Å; F280-F282 HydrophobicContact CE1-CB 4.44Å; F280-F282 AromaticContact CE1-CD1 3.67Å; F280-F282 HydrophobicContact CE1-CD1 3.67Å; F280-F282 HydrophobicContact CE1-CD2 4.15Å; F280-F282 AromaticContact CE1-CE1 3.86Å; F280-F282 HydrophobicContact CE1-CE1 3.86Å; F280-F282 HydrophobicContact CE1-CE2 4.35Å; F280-F282 AromaticContact CE1-CG 3.82Å; F280-F282 HydrophobicContact CE1-CG 3.82Å; F280-F282 HydrophobicContact CE1-CZ 4.2Å
281	V	96.7	Very high	95.7	Very high	53 Å²	53	63.5 Å²	63.5	32%	0.321	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.6	173.3	-174.8	0	0	0	0	107.9	M254 I261	M254-V281 HydrophobicContact CB-CG2 4.39Å; M254-V281 HydrophobicContact CE-CG2 3.53Å; M254-V281 WeakPolarHBondContact O-CA 3.15Å; I261-V281 HydrophobicContact CD1-CG1 3.89Å; I261-V281 HydrophobicContact CG2-CG1 4.38Å; I261-V281 HydrophobicContact CG2-CG2 4.38Å
282	F	93.8	Very high	95.5	Very high	71 Å²	71	63 Å²	63	31%	0.311	36%	0.363	S	S	.	.			trans	-68.9	0	176	-74.6	-85	0	0	0	112.9	G65 L138 P166 M167 V170 M253 M254 C255 F280	G65-F282 WeakPolarHBondContact O-CE1 3.38Å; L138-F282 HydrophobicContact CD1-CZ 4.5Å; P166-F282 HydrophobicContact CB-CB 4.44Å; P166-F282 HydrophobicContact CB-CD1 3.63Å; P166-F282 HydrophobicContact CB-CD2 3.84Å; P166-F282 HydrophobicContact CB-CE1 3.7Å; P166-F282 HydrophobicContact CB-CE2 3.87Å; P166-F282 HydrophobicContact CB-CG 3.71Å; P166-F282 HydrophobicContact CB-CZ 3.82Å; P166-F282 HydrophobicContact CG-CB 4.29Å; P166-F282 HydrophobicContact CG-CD1 4.37Å; P166-F282 HydrophobicContact CG-CD2 3.98Å; P166-F282 HydrophobicContact CG-CE2 4.37Å; P166-F282 HydrophobicContact CG-CG 3.97Å; M167-F282 HydrophobicContact CE-CD2 3.72Å; M167-F282 HydrophobicContact CE-CE2 3.7Å; M167-F282 HydrophobicContact SD-CD2 4.32Å; M167-F282 HydrophobicContact SD-CE2 3.72Å; V170-F282 HydrophobicContact CG2-CZ 4.27Å; M253-F282 HydrophobicContact CB-CE2 3.91Å; M253-F282 HydrophobicContact CG-CE2 4.4Å; M253-F282 HydrophobicContact SD-CE2 4.12Å; M253-F282 HydrophobicContact SD-CZ 4.13Å; M254-F282 PolarHBondContact O-N 3.3Å; C255-F282 HydrophobicContact CB-CB 4.03Å; C255-F282 HydrophobicContact CB-CD2 4.12Å; C255-F282 HydrophobicContact CB-CG 4.48Å; F280-F282 HydrophobicContact CD1-CD1 4.47Å; F280-F282 HydrophobicContact CD1-CD2 4.21Å; F280-F282 HydrophobicContact CD1-CE1 4.47Å; F280-F282 HydrophobicContact CD1-CE2 4.25Å; F280-F282 HydrophobicContact CD1-CG 4.33Å; F280-F282 HydrophobicContact CD1-CZ 4.36Å; F280-F282 HydrophobicContact CE1-CB 4.44Å; F280-F282 AromaticContact CE1-CD1 3.67Å; F280-F282 HydrophobicContact CE1-CD1 3.67Å; F280-F282 HydrophobicContact CE1-CD2 4.15Å; F280-F282 AromaticContact CE1-CE1 3.86Å; F280-F282 HydrophobicContact CE1-CE1 3.86Å; F280-F282 HydrophobicContact CE1-CE2 4.35Å; F280-F282 AromaticContact CE1-CG 3.82Å; F280-F282 HydrophobicContact CE1-CG 3.82Å; F280-F282 HydrophobicContact CE1-CZ 4.2Å

Retrieved 282 of 282 residues in 590.8 ms (Link to these results)

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