A0A087X9T1_POEFO Loading...

Twisted gastrulation BMP signaling modulator 1a

AlphaFold DB , UniProt , Accession A0A087X9T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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	48.6	Very low	54.6	Low	228 Å²	228	122.1 Å²	122.1	100%	1.123	66%	0.661	S	S	*	*				0	6.7	0	-64.6	177	68.9	0	0	114.9
2	R	49.9	Very low	55.9	Low	216 Å²	216	115.8 Å²	115.8	82%	0.815	64%	0.638	S	S	*	*			trans	-92.2	-22.1	178.1	-90.4	178.7	167.5	-171.4	-4.3	115.1	A4	R2-A4 PolarHBondContact O-N 3.4Å
3	S	51.1	Low	57	Low	96 Å²	96	111 Å²	111	67%	0.671	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-23.3	-175.2	-46.2	0	0	0	0	114	I7	S3-I7 VanDerWaalsContact O-CD1 3.25Å; S3-I7 WeakPolarHBondContact O-CD1 3.35Å; S3-I7 VanDerWaalsContact O-CG1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.36Å
4	A	50.4	Low	57.8	Low	69 Å²	69	110.6 Å²	110.6	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-76.2	-22.6	-179.4	0	0	0	0	0	113.6	R2	R2-A4 PolarHBondContact O-N 3.4Å
5	Q	51.9	Low	58.2	Low	155 Å²	155	111.3 Å²	111.3	72%	0.724	62%	0.619	S	S	*	*	H	α-helix	trans	-82.1	-20.2	-176.8	-72.5	-173.2	-40.5	0	0	113.8	P9	Q5-P9 WeakPolarHBondContact O-CD 3.24Å
6	L	52.1	Low	58.5	Low	135 Å²	135	115.1 Å²	115.1	71%	0.707	63%	0.627	S	S	*	*	H	α-helix	trans	-90.2	-16.8	176.9	-88.6	126.6	0	0	0	113.8	P9	L6-P9 WeakPolarHBondContact O-CD 2.99Å; L6-P9 WeakPolarHBondContact O-CG 3.06Å
7	I	54.4	Low	58.5	Low	103 Å²	103	115.5 Å²	115.5	53%	0.528	63%	0.628	S	S	.	*	H	α-helix	trans	-76.6	-38.3	-178.2	-62.3	166.6	0	0	0	110.7	S3 A10 T11	S3-I7 VanDerWaalsContact O-CD1 3.25Å; S3-I7 WeakPolarHBondContact O-CD1 3.35Å; S3-I7 VanDerWaalsContact O-CG1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.36Å; I7-A10 PolarHBondContact O-N 2.79Å; I7-T11 HydrophobicContact CG2-CG2 4.1Å; I7-T11 WeakPolarHBondContact O-CG2 3.06Å; I7-T11 PolarHBondContact O-N 2.87Å; I7-T11 PolarHBondContact O-OG1 3.23Å
8	L	53.3	Low	58.5	Low	133 Å²	133	114.7 Å²	114.7	70%	0.696	62%	0.623	S	S	*	*	H	α-helix	trans	-55.5	-50.1	179	-120.2	82.7	0	0	0	114.9	T11 A12	L8-T11 PolarHBondContact O-OG1 2.92Å; L8-A12 PolarHBondContact O-N 2.05Å; L8-A12 VanDerWaalsContact O-N 3.14Å
9	P	58.6	Low	58.4	Low	78 Å²	78	112 Å²	112	51%	0.506	62%	0.617	S	S	.	*	H	α-helix	trans	-70.6	-33.3	-179.6	26.8	-34.8	0	0	0	112.4	Q5 L6 A12 A13	Q5-P9 WeakPolarHBondContact O-CD 3.24Å; L6-P9 WeakPolarHBondContact O-CD 2.99Å; L6-P9 WeakPolarHBondContact O-CG 3.06Å; P9-A12 PolarHBondContact O-N 3.38Å; P9-A13 WeakPolarHBondContact O-CB 3.3Å; P9-A13 PolarHBondContact O-N 2.98Å
10	A	64.3	Low	58.2	Low	62 Å²	62	109.8 Å²	109.8	51%	0.512	62%	0.621	S	S	.	*	H	α-helix	trans	-68.5	-40.7	178.3	0	0	0	0	0	111.8	I7 L14	I7-A10 PolarHBondContact O-N 2.79Å; A10-L14 WeakPolarHBondContact O-CB 3.42Å; A10-L14 PolarHBondContact O-N 3.15Å
11	T	66.4	Low	57.7	Low	68 Å²	68	110.9 Å²	110.9	42%	0.417	63%	0.625	S	S	.	*	H	α-helix	trans	-67.5	-36.5	174.7	49.7	0	0	0	0	112.4	I7 L8 L14 L15	I7-T11 HydrophobicContact CG2-CG2 4.1Å; I7-T11 WeakPolarHBondContact O-CG2 3.06Å; I7-T11 PolarHBondContact O-N 2.87Å; I7-T11 PolarHBondContact O-OG1 3.23Å; L8-T11 PolarHBondContact O-OG1 2.92Å; T11-L14 PolarHBondContact O-N 2.83Å; T11-L15 WeakPolarHBondContact O-CB 3.2Å; T11-L15 WeakPolarHBondContact O-CD1 3.26Å; T11-L15 VanDerWaalsContact O-CG 3.31Å; T11-L15 WeakPolarHBondContact O-CG 3.49Å; T11-L15 PolarHBondContact O-N 3.03Å
12	A	69.4	Low	57.6	Low	46 Å²	46	104.2 Å²	104.2	38%	0.38	60%	0.6	S	S	.	*	H	α-helix	trans	-68.1	-42.4	176.9	0	0	0	0	0	111.8	L8 P9 L14 L15 F16	L8-A12 PolarHBondContact O-N 2.05Å; L8-A12 VanDerWaalsContact O-N 3.14Å; P9-A12 PolarHBondContact O-N 3.38Å; A12-L14 VanDerWaalsContact C-N 3.35Å; A12-L14 PolarHBondContact O-N 2.88Å; A12-L15 PolarHBondContact O-N 3.16Å; A12-F16 WeakPolarHBondContact O-CD2 3.49Å; A12-F16 PolarHBondContact O-N 3.27Å
13	A	70	Confident	57.3	Low	54 Å²	54	102.3 Å²	102.3	45%	0.446	61%	0.605	S	S	.	*	H	α-helix	trans	-63.5	-39.7	175.8	0	0	0	0	0	112.3	P9 F16 L17	P9-A13 WeakPolarHBondContact O-CB 3.3Å; P9-A13 PolarHBondContact O-N 2.98Å; A13-F16 PolarHBondContact O-N 3.26Å; A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.15Å
14	L	68.9	Low	57.2	Low	105 Å²	105	102.7 Å²	102.7	55%	0.55	60%	0.604	S	S	.	*	H	α-helix	trans	-67.8	-38.7	176.7	-167.6	67.4	0	0	0	112.1	A10 T11 A12 L17 L18	A10-L14 WeakPolarHBondContact O-CB 3.42Å; A10-L14 PolarHBondContact O-N 3.15Å; T11-L14 PolarHBondContact O-N 2.83Å; A12-L14 VanDerWaalsContact C-N 3.35Å; A12-L14 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-L18 HydrophobicContact CG-CD1 4.13Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 3.4Å
15	L	63.5	Low	57.7	Low	121 Å²	121	104.2 Å²	104.2	63%	0.634	61%	0.611	S	S	*	*	H	α-helix	trans	-65.1	-38.4	173.4	-76.5	164	0	0	0	112.3	T11 A12 L18 A19	T11-L15 WeakPolarHBondContact O-CB 3.2Å; T11-L15 WeakPolarHBondContact O-CD1 3.26Å; T11-L15 VanDerWaalsContact O-CG 3.31Å; T11-L15 WeakPolarHBondContact O-CG 3.49Å; T11-L15 PolarHBondContact O-N 3.03Å; A12-L15 PolarHBondContact O-N 3.16Å; L15-L18 PolarHBondContact O-N 3.41Å; L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 2.84Å
16	F	62.8	Low	58.3	Low	172 Å²	172	98.5 Å²	98.5	75%	0.754	59%	0.593	S	S	*	*	H	α-helix	trans	-65.4	-39.3	173.1	-98.3	-80.3	0	0	0	112.7	A12 A13 G20	A12-F16 WeakPolarHBondContact O-CD2 3.49Å; A12-F16 PolarHBondContact O-N 3.27Å; A13-F16 PolarHBondContact O-N 3.26Å; F16-G20 PolarHBondContact O-N 3.21Å
17	L	59.7	Low	59.8	Low	123 Å²	123	93 Å²	93	64%	0.644	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-38.8	175.4	-78.5	160.7	0	0	0	112.2	A13 L14 G20	A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.15Å; L14-L17 PolarHBondContact O-N 3.04Å; L17-G20 PolarHBondContact O-N 2.96Å
18	L	57.1	Low	61.4	Low	101 Å²	101	92.3 Å²	92.3	53%	0.529	56%	0.563	S	S	.	*	H	α-helix	trans	-71.4	-32.8	177.3	-72.8	164	0	0	0	112.6	L14 L15 G20 L21	L14-L18 HydrophobicContact CG-CD1 4.13Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.41Å; L18-G20 VanDerWaalsContact C-N 3.26Å; L18-G20 PolarHBondContact O-N 3.14Å; L18-L21 HydrophobicContact CD2-CD1 4.4Å; L18-L21 PolarHBondContact O-N 3.06Å
19	A	57.9	Low	63	Low	63 Å²	63	93.8 Å²	93.8	52%	0.521	56%	0.564	S	S	.	*	H	α-helix	trans	-65.7	-28.2	174.5	0	0	0	0	0	113	L15 L21 S22	L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 2.84Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.29Å; A19-S22 PolarHBondContact O-OG 3.45Å; A19-S22 VanDerWaalsContact O-OG 3.06Å
20	G	53.2	Low	64.3	Low	67 Å²	67	94.4 Å²	94.4	69%	0.691	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-11.6	176.1	0	0	0	0	0	114.9	F16 L17 L18 S22	F16-G20 PolarHBondContact O-N 3.21Å; L17-G20 PolarHBondContact O-N 2.96Å; L18-G20 VanDerWaalsContact C-N 3.26Å; L18-G20 PolarHBondContact O-N 3.14Å; G20-S22 VanDerWaalsContact C-N 3.29Å; G20-S22 PolarHBondContact O-N 2.95Å
21	L	48.9	Very low	65.6	Low	134 Å²	134	95.5 Å²	95.5	70%	0.702	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	16	179.6	-71.2	166.8	0	0	0	113.3	L18 A19 L23	L18-L21 HydrophobicContact CD2-CD1 4.4Å; L18-L21 PolarHBondContact O-N 3.06Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.29Å; L21-L23 PolarHBondContact O-N 3.49Å
22	S	45.5	Very low	66.8	Low	87 Å²	87	92.3 Å²	92.3	61%	0.608	55%	0.553	S	S	*	*			trans	-66.2	86	170	-54.1	0	0	0	0	108.9	A19 G20 T24	A19-S22 PolarHBondContact O-OG 3.45Å; A19-S22 VanDerWaalsContact O-OG 3.06Å; G20-S22 VanDerWaalsContact C-N 3.29Å; G20-S22 PolarHBondContact O-N 2.95Å; S22-T24 PolarHBondContact O-N 3.13Å
23	L	44.4	Very low	67.9	Low	176 Å²	176	92.5 Å²	92.5	92%	0.921	56%	0.555	S	S	*	*			trans	-67.2	88.2	170	-153.4	75.4	0	0	0	106.6	L21 S25	L21-L23 PolarHBondContact O-N 3.49Å; L23-S25 PolarHBondContact O-N 2.95Å
24	T	49.2	Very low	69	Low	105 Å²	105	94.1 Å²	94.1	64%	0.644	56%	0.563	S	S	*	*			trans	-69.5	118	178	56.7	0	0	0	0	107.8	S22 G26	S22-T24 PolarHBondContact O-N 3.13Å; T24-G26 PolarHBondContact O-N 3.43Å
25	S	59.7	Low	70.2	Confident	101 Å²	101	91.4 Å²	91.4	71%	0.706	55%	0.548	S	S	*	.	S	Bend	trans	-69.8	67.4	160.7	60.4	0	0	0	0	108.9	L23	L23-S25 PolarHBondContact O-N 2.95Å
26	G	66.1	Low	71.6	Confident	34 Å²	34	86.2 Å²	86.2	35%	0.351	52%	0.522	S	S	.	.	S	Bend	trans	-169.3	162.8	-174.5	0	0	0	0	0	110.7	T24 N28	T24-G26 PolarHBondContact O-N 3.43Å; G26-N28 PolarHBondContact O-N 2.89Å
27	C	83.5	Confident	73.1	Confident	21 Å²	21	80.9 Å²	80.9	14%	0.142	51%	0.506	C	S	.	.			trans	-53.7	130.5	-169.9	-174.9	0	0	0	0	113.7	K29 D73 C74	C27-K29 VanDerWaalsContact C-N 3.33Å; C27-K29 PolarHBondContact O-N 3.29Å; C27-D73 HydrophobicContact CB-CB 3.87Å; C27-C74 HydrophobicContact CB-CB 3.75Å; C27-C74 WeakPolarHBondContact CB-SG 3.35Å; C27-C74 WeakPolarHBondContact SG-CB 3.49Å; C27-C74 CovalentContact SG-SG 2Å; C27-C74 PolarHBondContact SG-SG 2.99Å
28	N	86.9	Confident	74.8	Confident	88 Å²	88	80 Å²	80	47%	0.471	50%	0.497	S	S	.	.			trans	-73.6	87.6	171.3	-174.5	-20.7	0	0	0	109.9	G26 A30 L31 C32	G26-N28 PolarHBondContact O-N 2.89Å; N28-A30 PolarHBondContact O-N 3.34Å; N28-A30 VanDerWaalsContact O-N 3.08Å; N28-A30 PolarHBondContact OD1-N 3.07Å; N28-L31 HydrophobicContact CB-CB 4.13Å; N28-L31 PolarHBondContact O-N 3.23Å; N28-L31 VanDerWaalsContact O-N 3.14Å; N28-L31 PolarHBondContact OD1-N 3.23Å; N28-C32 WeakPolarHBondContact O-CB 3.3Å; N28-C32 PolarHBondContact O-N 2.92Å; N28-C32 PolarHBondContact O-SG 2.73Å
29	K	86.4	Confident	76.6	Confident	164 Å²	164	75.2 Å²	75.2	71%	0.713	47%	0.472	S	S	*	.	H	α-helix	trans	-55.6	-29.2	-178.3	-64.2	-176.1	-178.8	-177.5	0	113.2	C27 A33	C27-K29 VanDerWaalsContact C-N 3.33Å; C27-K29 PolarHBondContact O-N 3.29Å; K29-A33 WeakPolarHBondContact O-CA 3.46Å; K29-A33 WeakPolarHBondContact O-CB 3.32Å; K29-A33 PolarHBondContact O-N 3.38Å
30	A	87.6	Confident	78.2	Confident	91 Å²	91	75.9 Å²	75.9	75%	0.752	47%	0.466	S	S	*	.	H	α-helix	trans	-72.4	-42.3	179.9	0	0	0	0	0	112.2	N28	N28-A30 PolarHBondContact O-N 3.34Å; N28-A30 VanDerWaalsContact O-N 3.08Å; N28-A30 PolarHBondContact OD1-N 3.07Å
31	L	89.8	Confident	80.2	Confident	85 Å²	85	79.3 Å²	79.3	45%	0.445	47%	0.467	S	S	.	.	H	α-helix	trans	-70.4	-42.6	175.5	-175.5	118.7	0	0	0	111.1	N28 L67 E70	N28-L31 HydrophobicContact CB-CB 4.13Å; N28-L31 PolarHBondContact O-N 3.23Å; N28-L31 VanDerWaalsContact O-N 3.14Å; N28-L31 PolarHBondContact OD1-N 3.23Å; L31-L67 HydrophobicContact CD2-CD2 3.75Å; L31-L67 HydrophobicContact CG-CD2 4.36Å; L31-E70 HydrophobicContact CD2-CB 3.78Å; L31-E70 HydrophobicContact CD2-CG 4.34Å
32	C	92.8	Very high	82.3	Confident	0 Å²	0	78 Å²	78	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-87	-13.4	-170.6	-59.8	0	0	0	0	114.7	N28 S34 V36 C71	N28-C32 WeakPolarHBondContact O-CB 3.3Å; N28-C32 PolarHBondContact O-N 2.92Å; N28-C32 PolarHBondContact O-SG 2.73Å; C32-S34 PolarHBondContact O-N 3.46Å; C32-V36 HydrophobicContact CB-CG2 3.79Å; C32-V36 WeakPolarHBondContact O-CB 3.46Å; C32-V36 VanDerWaalsContact O-CG2 3.26Å; C32-V36 WeakPolarHBondContact O-CG2 3.07Å; C32-V36 PolarHBondContact O-N 2.02Å; C32-C71 WeakPolarHBondContact CA-SG 3.48Å; C32-C71 HydrophobicContact CB-CB 3.69Å; C32-C71 WeakPolarHBondContact CB-SG 3.41Å; C32-C71 WeakPolarHBondContact SG-CA 3.18Å; C32-C71 WeakPolarHBondContact SG-CB 3.43Å; C32-C71 CovalentContact SG-SG 2.02Å; C32-C71 PolarHBondContact SG-SG 3.32Å
33	A	92.3	Very high	84.5	Confident	51 Å²	51	80 Å²	80	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-52.6	-47.6	-170.7	0	0	0	0	0	113.7	K29 S37	K29-A33 WeakPolarHBondContact O-CA 3.46Å; K29-A33 WeakPolarHBondContact O-CB 3.32Å; K29-A33 PolarHBondContact O-N 3.38Å; A33-S37 WeakPolarHBondContact O-CB 3.43Å; A33-S37 PolarHBondContact O-N 3.39Å; A33-S37 PolarHBondContact O-OG 3.4Å
34	S	93.4	Very high	86.9	Confident	88 Å²	88	74 Å²	74	62%	0.615	43%	0.426	S	S	*	.	H	α-helix	trans	-64.8	-58.5	-175.4	177.4	0	0	0	0	111.5	C32 S37 K38	C32-S34 PolarHBondContact O-N 3.46Å; S34-S37 PolarHBondContact O-N 2.84Å; S34-K38 WeakPolarHBondContact O-CB 3.35Å; S34-K38 PolarHBondContact O-N 3.08Å
35	D	94	Very high	88.9	Confident	47 Å²	47	69.3 Å²	69.3	25%	0.251	40%	0.397	S	S	.	.	H	α-helix	trans	-70.6	-40.8	-174.5	-65	-80.3	0	0	0	112.1	S37 K38 C39 L64 L67	D35-S37 PolarHBondContact O-N 2.84Å; D35-K38 WeakPolarHBondContact O-CB 3.03Å; D35-K38 PolarHBondContact O-N 3.41Å; D35-C39 WeakPolarHBondContact O-CB 3.36Å; D35-C39 PolarHBondContact O-N 3.32Å; D35-C39 PolarHBondContact O-SG 2.86Å; D35-L64 HydrophobicContact CB-CD2 4.31Å; D35-L67 HydrophobicContact CB-CD1 3.97Å; D35-L67 VanDerWaalsContact OD2-CD1 3.31Å; D35-L67 WeakPolarHBondContact OD2-CD1 3.45Å
36	V	93.3	Very high	90.2	Very high	12 Å²	12	70.4 Å²	70.4	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-60.9	-44.6	174	172.4	0	0	0	0	111.1	C32 K38 C39 L40 L64 C71 C74 V75	C32-V36 HydrophobicContact CB-CG2 3.79Å; C32-V36 WeakPolarHBondContact O-CB 3.46Å; C32-V36 VanDerWaalsContact O-CG2 3.26Å; C32-V36 WeakPolarHBondContact O-CG2 3.07Å; C32-V36 PolarHBondContact O-N 2.02Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.44Å; V36-C39 PolarHBondContact O-N 3Å; V36-L40 HydrophobicContact CG1-CD1 3.67Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CB 3Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 3.44Å; V36-L64 HydrophobicContact CG2-CD2 3.83Å; V36-C71 HydrophobicContact CG2-CB 4.07Å; V36-C74 HydrophobicContact CG1-CB 4.17Å; V36-C74 HydrophobicContact CG2-CB 3.86Å; V36-V75 HydrophobicContact CG1-CG1 3.89Å
37	S	93.1	Very high	91.2	Very high	60 Å²	60	69.1 Å²	69.1	42%	0.42	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-43.3	177.8	-59.4	0	0	0	0	111.5	A33 S34 D35 L40 I41	A33-S37 WeakPolarHBondContact O-CB 3.43Å; A33-S37 PolarHBondContact O-N 3.39Å; A33-S37 PolarHBondContact O-OG 3.4Å; S34-S37 PolarHBondContact O-N 2.84Å; D35-S37 PolarHBondContact O-N 2.84Å; S37-L40 PolarHBondContact O-N 2.04Å; S37-I41 WeakPolarHBondContact O-CB 3.2Å; S37-I41 WeakPolarHBondContact O-CD1 3.4Å; S37-I41 WeakPolarHBondContact O-CG1 3.22Å; S37-I41 PolarHBondContact O-N 2.86Å
38	K	95.4	Very high	91.1	Very high	105 Å²	105	75.9 Å²	75.9	46%	0.457	40%	0.399	S	S	.	.	H	α-helix	trans	-58.6	-48.8	176.4	177.8	-172.1	169.8	-163.7	0	111.4	S34 D35 V36 L40 I41 Q42	S34-K38 WeakPolarHBondContact O-CB 3.35Å; S34-K38 PolarHBondContact O-N 3.08Å; D35-K38 WeakPolarHBondContact O-CB 3.03Å; D35-K38 PolarHBondContact O-N 3.41Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.44Å; K38-L40 PolarHBondContact O-N 3Å; K38-I41 PolarHBondContact O-N 2.9Å; K38-Q42 WeakPolarHBondContact O-CG 3.46Å; K38-Q42 PolarHBondContact O-N 2.88Å
39	C	95	Very high	90.9	Very high	0 Å²	0	74 Å²	74	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-67.8	-34.8	-178.3	-58	0	0	0	0	112.9	D35 V36 E43 L44 C45 C63	D35-C39 WeakPolarHBondContact O-CB 3.36Å; D35-C39 PolarHBondContact O-N 3.32Å; D35-C39 PolarHBondContact O-SG 2.86Å; V36-C39 PolarHBondContact O-N 3Å; C39-E43 PolarHBondContact O-N 3.16Å; C39-L44 PolarHBondContact O-N 2.8Å; C39-C45 HydrophobicContact CB-CB 4.46Å; C39-C45 VanDerWaalsContact CB-SG 3.53Å; C39-C63 WeakPolarHBondContact CA-SG 3.03Å; C39-C63 HydrophobicContact CB-CB 3.87Å; C39-C63 WeakPolarHBondContact CB-SG 3.22Å; C39-C63 WeakPolarHBondContact SG-CB 3.38Å; C39-C63 CovalentContact SG-SG 2.02Å; C39-C63 PolarHBondContact SG-SG 2.92Å
40	L	92.8	Very high	90.4	Very high	77 Å²	77	70.9 Å²	70.9	40%	0.403	39%	0.391	S	S	.	.	H	α-helix	trans	-69	-42.5	174.8	-73.9	170.6	0	0	0	112.2	V36 S37 K38 Q42 E43 C45	V36-L40 HydrophobicContact CG1-CD1 3.67Å; V36-L40 HydrophobicContact CG1-CG 4.24Å; V36-L40 WeakPolarHBondContact O-CB 3Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.32Å; V36-L40 PolarHBondContact O-N 3.44Å; S37-L40 PolarHBondContact O-N 2.04Å; K38-L40 PolarHBondContact O-N 3Å; L40-Q42 VanDerWaalsContact C-N 3.28Å; L40-Q42 PolarHBondContact O-N 3.06Å; L40-E43 PolarHBondContact O-N 2.03Å; L40-C45 HydrophobicContact CD2-CB 4.07Å; L40-C45 WeakPolarHBondContact CD2-O 3.19Å
41	I	94.4	Very high	90.2	Very high	140 Å²	140	71.9 Å²	71.9	72%	0.718	38%	0.383	S	S	*	.	H	α-helix	trans	-65	-34.7	177.5	-70	166.1	0	0	0	111.2	S37 K38 E43	S37-I41 WeakPolarHBondContact O-CB 3.2Å; S37-I41 WeakPolarHBondContact O-CD1 3.4Å; S37-I41 WeakPolarHBondContact O-CG1 3.22Å; S37-I41 PolarHBondContact O-N 2.86Å; K38-I41 PolarHBondContact O-N 2.9Å; I41-E43 PolarHBondContact O-N 2.95Å
42	Q	93.8	Very high	89.7	Confident	106 Å²	106	71.3 Å²	71.3	50%	0.495	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.2	174.7	-68	-177.4	-12.7	0	0	113.4	K38 L40 L44	K38-Q42 WeakPolarHBondContact O-CG 3.46Å; K38-Q42 PolarHBondContact O-N 2.88Å; L40-Q42 VanDerWaalsContact C-N 3.28Å; L40-Q42 PolarHBondContact O-N 3.06Å; Q42-L44 HydrophobicContact CB-CD1 3.92Å; Q42-L44 HydrophobicContact CB-CG 3.77Å; Q42-L44 PolarHBondContact O-N 3.06Å; Q42-L44 VanDerWaalsContact O-N 3.14Å
43	E	91.5	Very high	89.2	Confident	130 Å²	130	75.3 Å²	75.3	61%	0.607	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	17.8	-179.4	-45.6	-159.7	134.8	0	0	114.7	C39 L40 I41 Q46	C39-E43 PolarHBondContact O-N 3.16Å; L40-E43 PolarHBondContact O-N 2.03Å; I41-E43 PolarHBondContact O-N 2.95Å; E43-Q46 HydrophobicContact CB-CG 4.37Å; E43-Q46 VanDerWaalsContact CB-NE2 3.33Å; E43-Q46 PolarHBondContact OE1-NE2 3.09Å
44	L	93.9	Very high	89.1	Confident	50 Å²	50	76.5 Å²	76.5	26%	0.262	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.5	-176.1	-56.9	178.4	0	0	0	112.7	C39 Q42 C56 D59 C60 C63	C39-L44 PolarHBondContact O-N 2.8Å; Q42-L44 HydrophobicContact CB-CD1 3.92Å; Q42-L44 HydrophobicContact CB-CG 3.77Å; Q42-L44 PolarHBondContact O-N 3.06Å; Q42-L44 VanDerWaalsContact O-N 3.14Å; L44-C56 WeakPolarHBondContact O-CB 3.01Å; L44-C56 PolarHBondContact O-SG 3Å; L44-D59 HydrophobicContact CB-CB 4.42Å; L44-D59 HydrophobicContact CD2-CB 4.17Å; L44-C60 WeakPolarHBondContact O-CA 3.48Å; L44-C60 VanDerWaalsContact O-CB 3.26Å; L44-C60 WeakPolarHBondContact O-CB 2.76Å; L44-C60 PolarHBondContact O-N 2.84Å; L44-C63 HydrophobicContact CB-CB 4.39Å; L44-C63 HydrophobicContact CD1-CB 3.76Å
45	C	91.5	Very high	89	Confident	6 Å²	6	77 Å²	77	4%	0.041	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	43.6	-175	-66.6	0	0	0	0	113.3	C39 L40 C60 V75	C39-C45 HydrophobicContact CB-CB 4.46Å; C39-C45 VanDerWaalsContact CB-SG 3.53Å; L40-C45 HydrophobicContact CD2-CB 4.07Å; L40-C45 WeakPolarHBondContact CD2-O 3.19Å; C45-C60 HydrophobicContact CB-CB 3.93Å; C45-C60 WeakPolarHBondContact CB-SG 3.01Å; C45-C60 WeakPolarHBondContact SG-CA 3.29Å; C45-C60 WeakPolarHBondContact SG-CB 3.5Å; C45-C60 CovalentContact SG-SG 2.04Å; C45-C60 PolarHBondContact SG-SG 3.41Å; C45-V75 HydrophobicContact CB-CB 4.3Å; C45-V75 HydrophobicContact CB-CG1 3.88Å
46	Q	87.4	Confident	89	Confident	124 Å²	124	75.5 Å²	75.5	58%	0.579	42%	0.42	S	S	*	.			trans	-101.3	0.9	-177.5	-65.3	-171	6.4	0	0	115.3	E43 C56	E43-Q46 HydrophobicContact CB-CG 4.37Å; E43-Q46 VanDerWaalsContact CB-NE2 3.33Å; E43-Q46 PolarHBondContact OE1-NE2 3.09Å; Q46-C56 PolarHBondContact N-SG 2.83Å; Q46-C56 VanDerWaalsContact N-SG 3.42Å
47	C	85.6	Confident	89	Confident	6 Å²	6	75.9 Å²	75.9	4%	0.041	42%	0.423	C	S	.	.			trans	-92.9	159.4	-179	55.6	0	0	0	0	111.7	C56 C57	C47-C56 HydrophobicContact CB-CB 3.91Å; C47-C56 WeakPolarHBondContact CB-SG 3.37Å; C47-C56 PolarHBondContact N-SG 3.28Å; C47-C56 WeakPolarHBondContact SG-CA 3.06Å; C47-C56 WeakPolarHBondContact SG-CB 3.36Å; C47-C56 PolarHBondContact SG-N 2.6Å; C47-C56 VanDerWaalsContact SG-N 3.37Å; C47-C56 CovalentContact SG-SG 2.04Å; C47-C56 PolarHBondContact SG-SG 2.88Å; C47-C57 PolarHBondContact SG-N 3.25Å
48	R	81.6	Confident	89	Confident	163 Å²	163	80.5 Å²	80.5	62%	0.615	44%	0.436	S	S	*	.			trans	-125.8	104.1	178.3	-77.2	-174.8	177.6	166.3	0.4	109.8	S50 D51 N53	R48-S50 PolarHBondContact O-N 3.47Å; R48-D51 HydrophobicContact CB-CB 4.23Å; R48-D51 WeakPolarHBondContact CB-OD2 3.29Å; R48-D51 VanDerWaalsContact CD-OD2 3.3Å; R48-D51 WeakPolarHBondContact CD-OD2 3.3Å; R48-D51 PolarHBondContact O-N 3.12Å; R48-N53 CarbonylContact C-O 3.22Å; R48-N53 PolarHBondContact N-O 2.67Å; R48-N53 PolarHBondContact O-N 3.04Å; R48-N53 VanDerWaalsContact O-O 3.05Å
49	P	83.7	Confident	89.1	Confident	49 Å²	49	79.2 Å²	79.2	32%	0.318	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.6	178.2	-26.1	34	0	0	0	112.6	D51 G52 M77	P49-D51 PolarHBondContact O-N 2.95Å; P49-G52 PolarHBondContact O-N 3.06Å; P49-G52 VanDerWaalsContact O-N 3.07Å; P49-M77 WeakPolarHBondContact CD-SD 3.49Å; P49-M77 HydrophobicContact CG-CE 3.5Å; P49-M77 VanDerWaalsContact CG-CE 3.5Å; P49-M77 HydrophobicContact CG-SD 3.5Å; P49-M77 WeakPolarHBondContact CG-SD 3.4Å
50	S	75.9	Confident	89.1	Confident	99 Å²	99	79.2 Å²	79.2	69%	0.692	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-56.9	-29.5	175	58.1	0	0	0	0	113.3	R48 G52	R48-S50 PolarHBondContact O-N 3.47Å; S50-G52 VanDerWaalsContact C-N 3.31Å
51	D	82.1	Confident	89.1	Confident	111 Å²	111	79.3 Å²	79.3	59%	0.594	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-95.8	9.3	-175.4	-53.2	-10.5	0	0	0	110.8	R48 P49 N53	R48-D51 HydrophobicContact CB-CB 4.23Å; R48-D51 WeakPolarHBondContact CB-OD2 3.29Å; R48-D51 VanDerWaalsContact CD-OD2 3.3Å; R48-D51 WeakPolarHBondContact CD-OD2 3.3Å; R48-D51 PolarHBondContact O-N 3.12Å; P49-D51 PolarHBondContact O-N 2.95Å; D51-N53 PolarHBondContact O-N 3.11Å
52	G	80.7	Confident	89.2	Confident	73 Å²	73	78 Å²	78	75%	0.753	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	3	-176.1	0	0	0	0	0	114.5	P49 S50	P49-G52 PolarHBondContact O-N 3.06Å; P49-G52 VanDerWaalsContact O-N 3.07Å; S50-G52 VanDerWaalsContact C-N 3.31Å
53	N	82.5	Confident	89.4	Confident	85 Å²	85	74 Å²	74	46%	0.455	41%	0.411	S	S	.	.			trans	-100.4	109.8	179.5	-175.6	-2.8	0	0	0	110.8	R48 D51 S55	R48-N53 CarbonylContact C-O 3.22Å; R48-N53 PolarHBondContact N-O 2.67Å; R48-N53 PolarHBondContact O-N 3.04Å; R48-N53 VanDerWaalsContact O-O 3.05Å; D51-N53 PolarHBondContact O-N 3.11Å; N53-S55 PolarHBondContact OD1-N 2.8Å; N53-S55 PolarHBondContact OD1-OG 2.91Å
54	C	88.7	Confident	89.5	Confident	75 Å²	75	68.1 Å²	68.1	51%	0.507	38%	0.383	S	S	.	.			trans	-125.4	25.7	-176.1	-159.8	0	0	0	0	113.2	C56 C57	C54-C56 PolarHBondContact O-N 3.29Å; C54-C56 VanDerWaalsContact O-N 3.17Å; C54-C57 WeakPolarHBondContact CA-SG 3.33Å; C54-C57 HydrophobicContact CB-CB 4.27Å; C54-C57 WeakPolarHBondContact CB-SG 3.48Å; C54-C57 PolarHBondContact O-N 3.48Å; C54-C57 PolarHBondContact O-SG 2.86Å; C54-C57 WeakPolarHBondContact SG-CB 3.48Å; C54-C57 CovalentContact SG-SG 2.01Å; C54-C57 PolarHBondContact SG-SG 2.84Å
55	S	92.3	Very high	89.6	Confident	100 Å²	100	67.1 Å²	67.1	70%	0.699	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.6	-177.7	58.9	0	0	0	0	113.9	N53	N53-S55 PolarHBondContact OD1-N 2.8Å; N53-S55 PolarHBondContact OD1-OG 2.91Å
56	C	92.8	Very high	89.7	Confident	14 Å²	14	74.7 Å²	74.7	10%	0.095	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-2.5	-177.3	89.4	0	0	0	0	114.4	L44 Q46 C47 C54 K58 D59 C60	L44-C56 WeakPolarHBondContact O-CB 3.01Å; L44-C56 PolarHBondContact O-SG 3Å; Q46-C56 PolarHBondContact N-SG 2.83Å; Q46-C56 VanDerWaalsContact N-SG 3.42Å; C47-C56 HydrophobicContact CB-CB 3.91Å; C47-C56 WeakPolarHBondContact CB-SG 3.37Å; C47-C56 PolarHBondContact N-SG 3.28Å; C47-C56 WeakPolarHBondContact SG-CA 3.06Å; C47-C56 WeakPolarHBondContact SG-CB 3.36Å; C47-C56 PolarHBondContact SG-N 2.6Å; C47-C56 VanDerWaalsContact SG-N 3.37Å; C47-C56 CovalentContact SG-SG 2.04Å; C47-C56 PolarHBondContact SG-SG 2.88Å; C54-C56 PolarHBondContact O-N 3.29Å; C54-C56 VanDerWaalsContact O-N 3.17Å; C56-K58 VanDerWaalsContact C-N 3.3Å; C56-K58 PolarHBondContact O-N 3.03Å; C56-D59 PolarHBondContact O-N 3.5Å; C56-D59 VanDerWaalsContact O-N 3.1Å; C56-C60 WeakPolarHBondContact O-CB 3.21Å; C56-C60 PolarHBondContact O-N 3.23Å
57	C	93.4	Very high	89.9	Confident	21 Å²	21	70.9 Å²	70.9	14%	0.142	41%	0.408	C	S	.	.	H	α-helix	trans	-58.5	-43.1	-168.5	-66.7	0	0	0	0	113	C47 C54 C60 M61 M77	C47-C57 PolarHBondContact SG-N 3.25Å; C54-C57 WeakPolarHBondContact CA-SG 3.33Å; C54-C57 HydrophobicContact CB-CB 4.27Å; C54-C57 WeakPolarHBondContact CB-SG 3.48Å; C54-C57 PolarHBondContact O-N 3.48Å; C54-C57 PolarHBondContact O-SG 2.86Å; C54-C57 WeakPolarHBondContact SG-CB 3.48Å; C54-C57 CovalentContact SG-SG 2.01Å; C54-C57 PolarHBondContact SG-SG 2.84Å; C57-C60 PolarHBondContact O-N 3.13Å; C57-M61 WeakPolarHBondContact O-CB 3.37Å; C57-M61 PolarHBondContact O-N 2.81Å; C57-M77 HydrophobicContact CB-CE 3.67Å; C57-M77 WeakPolarHBondContact SG-CE 3.34Å
58	K	94.1	Very high	90.3	Very high	157 Å²	157	72.7 Å²	72.7	68%	0.683	41%	0.414	S	S	*	.	H	α-helix	trans	-61.8	-46.2	178.8	180	-177.8	174.6	-176.4	0	110.9	C56 M61 L62	C56-K58 VanDerWaalsContact C-N 3.3Å; C56-K58 PolarHBondContact O-N 3.03Å; K58-M61 PolarHBondContact O-N 2.86Å; K58-L62 HydrophobicContact CG-CD1 4.14Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.37Å; K58-L62 PolarHBondContact O-N 3.17Å
59	D	96.4	Very high	90.6	Very high	77 Å²	77	71.7 Å²	71.7	41%	0.412	42%	0.416	S	S	.	.	H	α-helix	trans	-71.2	-36.7	-176.9	-59.8	-32.8	0	0	0	111.2	L44 C56 L62 C63	L44-D59 HydrophobicContact CB-CB 4.42Å; L44-D59 HydrophobicContact CD2-CB 4.17Å; C56-D59 PolarHBondContact O-N 3.5Å; C56-D59 VanDerWaalsContact O-N 3.1Å; D59-L62 PolarHBondContact O-N 2.89Å; D59-C63 VanDerWaalsContact O-CB 3.25Å; D59-C63 WeakPolarHBondContact O-CB 3.47Å; D59-C63 PolarHBondContact O-N 2.94Å
60	C	95	Very high	90.9	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-60.6	-46.1	171.3	-170.9	0	0	0	0	112	L44 C45 C56 C57 C63 L64	L44-C60 WeakPolarHBondContact O-CA 3.48Å; L44-C60 VanDerWaalsContact O-CB 3.26Å; L44-C60 WeakPolarHBondContact O-CB 2.76Å; L44-C60 PolarHBondContact O-N 2.84Å; C45-C60 HydrophobicContact CB-CB 3.93Å; C45-C60 WeakPolarHBondContact CB-SG 3.01Å; C45-C60 WeakPolarHBondContact SG-CA 3.29Å; C45-C60 WeakPolarHBondContact SG-CB 3.5Å; C45-C60 CovalentContact SG-SG 2.04Å; C45-C60 PolarHBondContact SG-SG 3.41Å; C56-C60 WeakPolarHBondContact O-CB 3.21Å; C56-C60 PolarHBondContact O-N 3.23Å; C57-C60 PolarHBondContact O-N 3.13Å; C60-C63 PolarHBondContact O-N 2.8Å; C60-L64 PolarHBondContact O-N 3.35Å
61	M	94.8	Very high	91.6	Very high	80 Å²	80	69.4 Å²	69.4	39%	0.394	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-44.1	177.9	-174.6	-84.9	164.1	0	0	111.7	C57 K58 C63 L64 G65 W68	C57-M61 WeakPolarHBondContact O-CB 3.37Å; C57-M61 PolarHBondContact O-N 2.81Å; K58-M61 PolarHBondContact O-N 2.86Å; M61-C63 VanDerWaalsContact C-N 3.3Å; M61-C63 PolarHBondContact O-N 3Å; M61-L64 PolarHBondContact O-N 3.43Å; M61-G65 PolarHBondContact O-N 2.92Å; M61-W68 VanDerWaalsContact CA-CE3 3.47Å; M61-W68 HydrophobicContact CB-CD2 4.12Å; M61-W68 HydrophobicContact CB-CE3 3.78Å; M61-W68 HydrophobicContact CB-CH2 4.08Å; M61-W68 HydrophobicContact CB-CZ2 4.46Å; M61-W68 HydrophobicContact CB-CZ3 3.75Å; M61-W68 HydrophobicContact CE-CB 4.46Å; M61-W68 HydrophobicContact CE-CG 4.48Å; M61-W68 HydrophobicContact CG-CD2 3.69Å; M61-W68 HydrophobicContact CG-CE3 3.85Å; M61-W68 HydrophobicContact CG-CG 4.01Å; M61-W68 HydrophobicContact CG-CZ2 4.45Å; M61-W68 HydrophobicContact CG-CZ3 4.26Å
62	L	96.4	Very high	92	Very high	113 Å²	113	64.3 Å²	64.3	59%	0.592	36%	0.364	S	S	*	.	H	α-helix	trans	-64.9	-34.5	175.9	-70.2	173.5	0	0	0	112.6	K58 D59	K58-L62 HydrophobicContact CG-CD1 4.14Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.37Å; K58-L62 PolarHBondContact O-N 3.17Å; D59-L62 PolarHBondContact O-N 2.89Å
63	C	96.8	Very high	92.5	Very high	22 Å²	22	63.9 Å²	63.9	15%	0.149	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-41.9	178.5	-175.3	0	0	0	0	112.6	C39 L44 D59 C60 M61	C39-C63 WeakPolarHBondContact CA-SG 3.03Å; C39-C63 HydrophobicContact CB-CB 3.87Å; C39-C63 WeakPolarHBondContact CB-SG 3.22Å; C39-C63 WeakPolarHBondContact SG-CB 3.38Å; C39-C63 CovalentContact SG-SG 2.02Å; C39-C63 PolarHBondContact SG-SG 2.92Å; L44-C63 HydrophobicContact CB-CB 4.39Å; L44-C63 HydrophobicContact CD1-CB 3.76Å; D59-C63 VanDerWaalsContact O-CB 3.25Å; D59-C63 WeakPolarHBondContact O-CB 3.47Å; D59-C63 PolarHBondContact O-N 2.94Å; C60-C63 PolarHBondContact O-N 2.8Å; M61-C63 VanDerWaalsContact C-N 3.3Å; M61-C63 PolarHBondContact O-N 3Å
64	L	94.6	Very high	92.8	Very high	6 Å²	6	62 Å²	62	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-74.8	-31.1	175.1	-68.2	175.6	0	0	0	112.3	D35 V36 C60 M61 N66 L67 W68 C71 V75	D35-L64 HydrophobicContact CB-CD2 4.31Å; V36-L64 HydrophobicContact CG2-CD2 3.83Å; C60-L64 PolarHBondContact O-N 3.35Å; M61-L64 PolarHBondContact O-N 3.43Å; L64-N66 PolarHBondContact O-N 3.33Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 2.68Å; L64-L67 VanDerWaalsContact O-N 3.07Å; L64-W68 HydrophobicContact CB-CE3 4.28Å; L64-W68 HydrophobicContact CD1-CE3 3.73Å; L64-W68 HydrophobicContact CD1-CZ3 4.07Å; L64-C71 HydrophobicContact CD1-CB 4.46Å; L64-C71 HydrophobicContact CD2-CB 4.33Å; L64-V75 HydrophobicContact CD1-CG2 4.01Å
65	G	94.9	Very high	92.9	Very high	28 Å²	28	59.3 Å²	59.3	29%	0.289	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	55.8	-120.9	175.3	0	0	0	0	0	112.5	M61 L67 W68	M61-G65 PolarHBondContact O-N 2.92Å; G65-L67 PolarHBondContact O-N 2.77Å; G65-W68 VanDerWaalsContact O-CB 3.25Å; G65-W68 WeakPolarHBondContact O-CB 3.37Å; G65-W68 PolarHBondContact O-N 3.36Å; G65-W68 VanDerWaalsContact O-N 3.14Å
66	N	93.6	Very high	92.7	Very high	165 Å²	165	57 Å²	57	88%	0.882	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68	-15.2	-177.5	-62.2	-21.7	0	0	0	113.9	L64 W68	L64-N66 PolarHBondContact O-N 3.33Å; N66-W68 VanDerWaalsContact C-N 3.31Å
67	L	92.8	Very high	92.4	Very high	45 Å²	45	57 Å²	57	24%	0.236	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-90	4.2	176.8	-65.7	170.4	0	0	0	112.5	L31 D35 L64 G65 E69 E70 C71	L31-L67 HydrophobicContact CD2-CD2 3.75Å; L31-L67 HydrophobicContact CG-CD2 4.36Å; D35-L67 HydrophobicContact CB-CD1 3.97Å; D35-L67 VanDerWaalsContact OD2-CD1 3.31Å; D35-L67 WeakPolarHBondContact OD2-CD1 3.45Å; L64-L67 WeakPolarHBondContact O-CB 3.49Å; L64-L67 PolarHBondContact O-N 2.68Å; L64-L67 VanDerWaalsContact O-N 3.07Å; G65-L67 PolarHBondContact O-N 2.77Å; L67-E69 PolarHBondContact O-N 2.89Å; L67-E70 WeakPolarHBondContact CA-OE2 3.48Å; L67-E70 PolarHBondContact O-N 3.45Å; L67-C71 WeakPolarHBondContact O-CB 3.21Å; L67-C71 PolarHBondContact O-N 3.4Å; L67-C71 PolarHBondContact O-SG 2.73Å; L67-C71 VanDerWaalsContact O-SG 3.4Å
68	W	92.9	Very high	92.1	Very high	44 Å²	44	57 Å²	57	17%	0.167	31%	0.309	C	S	.	.	H	α-helix	trans	-56.5	-50.1	-174.9	171.9	-100.3	0	0	0	112.5	M61 L64 G65 N66 E70 C71 C72 M77	M61-W68 VanDerWaalsContact CA-CE3 3.47Å; M61-W68 HydrophobicContact CB-CD2 4.12Å; M61-W68 HydrophobicContact CB-CE3 3.78Å; M61-W68 HydrophobicContact CB-CH2 4.08Å; M61-W68 HydrophobicContact CB-CZ2 4.46Å; M61-W68 HydrophobicContact CB-CZ3 3.75Å; M61-W68 HydrophobicContact CE-CB 4.46Å; M61-W68 HydrophobicContact CE-CG 4.48Å; M61-W68 HydrophobicContact CG-CD2 3.69Å; M61-W68 HydrophobicContact CG-CE3 3.85Å; M61-W68 HydrophobicContact CG-CG 4.01Å; M61-W68 HydrophobicContact CG-CZ2 4.45Å; M61-W68 HydrophobicContact CG-CZ3 4.26Å; L64-W68 HydrophobicContact CB-CE3 4.28Å; L64-W68 HydrophobicContact CD1-CE3 3.73Å; L64-W68 HydrophobicContact CD1-CZ3 4.07Å; G65-W68 VanDerWaalsContact O-CB 3.25Å; G65-W68 WeakPolarHBondContact O-CB 3.37Å; G65-W68 PolarHBondContact O-N 3.36Å; G65-W68 VanDerWaalsContact O-N 3.14Å; N66-W68 VanDerWaalsContact C-N 3.31Å; W68-E70 VanDerWaalsContact C-N 3.27Å; W68-E70 PolarHBondContact O-N 3.25Å; W68-C71 PolarHBondContact O-N 2.65Å; W68-C72 HydrophobicContact CD2-CB 3.91Å; W68-C72 HydrophobicContact CE3-CB 4.04Å; W68-C72 HydrophobicContact CH2-CB 4.15Å; W68-C72 HydrophobicContact CZ2-CB 3.95Å; W68-C72 HydrophobicContact CZ3-CB 4.17Å; W68-C72 WeakPolarHBondContact O-CB 3.47Å; W68-C72 PolarHBondContact O-N 2.86Å; W68-C72 PolarHBondContact O-SG 3.22Å; W68-M77 HydrophobicContact CH2-CB 3.51Å; W68-M77 HydrophobicContact CH2-CG 4.37Å; W68-M77 HydrophobicContact CZ2-CB 4.27Å; W68-M77 HydrophobicContact CZ3-CB 4.11Å
69	E	88.9	Confident	91.3	Very high	141 Å²	141	56.1 Å²	56.1	66%	0.659	31%	0.312	S	S	*	.	H	α-helix	trans	-64.7	-32.6	-176.8	-66.8	-62.9	148.4	0	0	112.3	L67	L67-E69 PolarHBondContact O-N 2.89Å
70	E	88.8	Confident	90.1	Very high	100 Å²	100	57 Å²	57	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-83.6	-27.1	179.1	-61.2	82.6	178.4	0	0	113.2	L31 L67 W68	L31-E70 HydrophobicContact CD2-CB 3.78Å; L31-E70 HydrophobicContact CD2-CG 4.34Å; L67-E70 WeakPolarHBondContact CA-OE2 3.48Å; L67-E70 PolarHBondContact O-N 3.45Å; W68-E70 VanDerWaalsContact C-N 3.27Å; W68-E70 PolarHBondContact O-N 3.25Å
71	C	92	Very high	88.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-118.3	-8.6	-168.3	-58.1	0	0	0	0	115.4	C32 V36 L64 L67 W68 D73 C74	C32-C71 WeakPolarHBondContact CA-SG 3.48Å; C32-C71 HydrophobicContact CB-CB 3.69Å; C32-C71 WeakPolarHBondContact CB-SG 3.41Å; C32-C71 WeakPolarHBondContact SG-CA 3.18Å; C32-C71 WeakPolarHBondContact SG-CB 3.43Å; C32-C71 CovalentContact SG-SG 2.02Å; C32-C71 PolarHBondContact SG-SG 3.32Å; V36-C71 HydrophobicContact CG2-CB 4.07Å; L64-C71 HydrophobicContact CD1-CB 4.46Å; L64-C71 HydrophobicContact CD2-CB 4.33Å; L67-C71 WeakPolarHBondContact O-CB 3.21Å; L67-C71 PolarHBondContact O-N 3.4Å; L67-C71 PolarHBondContact O-SG 2.73Å; L67-C71 VanDerWaalsContact O-SG 3.4Å; W68-C71 PolarHBondContact O-N 2.65Å; C71-D73 PolarHBondContact O-N 3.39Å; C71-D73 VanDerWaalsContact O-N 3.1Å; C71-C74 VanDerWaalsContact O-CB 3.31Å; C71-C74 WeakPolarHBondContact O-CB 3.41Å; C71-C74 PolarHBondContact O-N 3.44Å
72	C	90.4	Very high	86.8	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.027	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-24.6	179.5	58.2	0	0	0	0	112.6	W68 C74 V75 G76 M77 C78	W68-C72 HydrophobicContact CD2-CB 3.91Å; W68-C72 HydrophobicContact CE3-CB 4.04Å; W68-C72 HydrophobicContact CH2-CB 4.15Å; W68-C72 HydrophobicContact CZ2-CB 3.95Å; W68-C72 HydrophobicContact CZ3-CB 4.17Å; W68-C72 WeakPolarHBondContact O-CB 3.47Å; W68-C72 PolarHBondContact O-N 2.86Å; W68-C72 PolarHBondContact O-SG 3.22Å; C72-C74 VanDerWaalsContact C-N 3.26Å; C72-C74 PolarHBondContact O-N 3.5Å; C72-V75 VanDerWaalsContact O-CG2 3.29Å; C72-V75 WeakPolarHBondContact O-CG2 3.33Å; C72-V75 PolarHBondContact O-N 3.39Å; C72-G76 PolarHBondContact O-N 2.92Å; C72-G76 VanDerWaalsContact O-N 3.12Å; C72-M77 HydrophobicContact CB-CB 4.44Å; C72-M77 PolarHBondContact O-N 2.76Å; C72-C78 VanDerWaalsContact CA-SG 3.53Å; C72-C78 HydrophobicContact CB-CB 4.05Å; C72-C78 WeakPolarHBondContact CB-SG 3.3Å; C72-C78 PolarHBondContact O-N 2.93Å; C72-C78 WeakPolarHBondContact SG-CA 3.17Å; C72-C78 WeakPolarHBondContact SG-CB 3.38Å; C72-C78 CovalentContact SG-SG 2.02Å; C72-C78 PolarHBondContact SG-SG 2.78Å
73	D	89.4	Confident	84.7	Confident	65 Å²	65	66.8 Å²	66.8	35%	0.348	36%	0.36	S	S	.	.	H	α-helix	trans	-69.1	-28.1	177.4	-81.5	-31.9	0	0	0	110.5	C27 C71 V75 C78	C27-D73 HydrophobicContact CB-CB 3.87Å; C71-D73 PolarHBondContact O-N 3.39Å; C71-D73 VanDerWaalsContact O-N 3.1Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.78Å; D73-C78 PolarHBondContact N-SG 3.26Å; D73-C78 VanDerWaalsContact OD1-CB 3.3Å; D73-C78 WeakPolarHBondContact OD1-CB 3.29Å; D73-C78 PolarHBondContact OD1-SG 2.03Å
74	C	90.3	Very high	82.6	Confident	45 Å²	45	70 Å²	70	30%	0.304	38%	0.382	S	S	.	.	H	α-helix	trans	-69.5	-27.8	177.8	-91.3	0	0	0	0	112.6	C27 V36 C71 C72	C27-C74 HydrophobicContact CB-CB 3.75Å; C27-C74 WeakPolarHBondContact CB-SG 3.35Å; C27-C74 WeakPolarHBondContact SG-CB 3.49Å; C27-C74 CovalentContact SG-SG 2Å; C27-C74 PolarHBondContact SG-SG 2.99Å; V36-C74 HydrophobicContact CG1-CB 4.17Å; V36-C74 HydrophobicContact CG2-CB 3.86Å; C71-C74 VanDerWaalsContact O-CB 3.31Å; C71-C74 WeakPolarHBondContact O-CB 3.41Å; C71-C74 PolarHBondContact O-N 3.44Å; C72-C74 VanDerWaalsContact C-N 3.26Å; C72-C74 PolarHBondContact O-N 3.5Å
75	V	90.8	Very high	80.7	Confident	18 Å²	18	75.2 Å²	75.2	11%	0.109	41%	0.41	C	S	.	.	H	α-helix	trans	-105.2	0.6	-177.7	-69.1	0	0	0	0	112.2	V36 C45 L64 C72 D73 M77	V36-V75 HydrophobicContact CG1-CG1 3.89Å; C45-V75 HydrophobicContact CB-CB 4.3Å; C45-V75 HydrophobicContact CB-CG1 3.88Å; L64-V75 HydrophobicContact CD1-CG2 4.01Å; C72-V75 VanDerWaalsContact O-CG2 3.29Å; C72-V75 WeakPolarHBondContact O-CG2 3.33Å; C72-V75 PolarHBondContact O-N 3.39Å; D73-V75 VanDerWaalsContact C-N 3.28Å; D73-V75 PolarHBondContact O-N 2.78Å; V75-M77 VanDerWaalsContact C-N 3.3Å; V75-M77 HydrophobicContact CB-CG 3.89Å; V75-M77 HydrophobicContact CG2-CB 3.85Å; V75-M77 HydrophobicContact CG2-CG 3.42Å; V75-M77 VanDerWaalsContact CG2-CG 3.42Å
76	G	87.5	Confident	78.8	Confident	51 Å²	51	78 Å²	78	53%	0.526	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	28.3	-180	0	0	0	0	0	113.4	C72	C72-G76 PolarHBondContact O-N 2.92Å; C72-G76 VanDerWaalsContact O-N 3.12Å
77	M	87.4	Confident	77.4	Confident	14 Å²	14	74.1 Å²	74.1	7%	0.069	41%	0.409	C	S	.	.			trans	-111.7	-5.9	-173.3	-55.2	-67.8	-68.1	0	0	113.6	P49 C57 W68 C72 V75	P49-M77 WeakPolarHBondContact CD-SD 3.49Å; P49-M77 HydrophobicContact CG-CE 3.5Å; P49-M77 VanDerWaalsContact CG-CE 3.5Å; P49-M77 HydrophobicContact CG-SD 3.5Å; P49-M77 WeakPolarHBondContact CG-SD 3.4Å; C57-M77 HydrophobicContact CB-CE 3.67Å; C57-M77 WeakPolarHBondContact SG-CE 3.34Å; W68-M77 HydrophobicContact CH2-CB 3.51Å; W68-M77 HydrophobicContact CH2-CG 4.37Å; W68-M77 HydrophobicContact CZ2-CB 4.27Å; W68-M77 HydrophobicContact CZ3-CB 4.11Å; C72-M77 HydrophobicContact CB-CB 4.44Å; C72-M77 PolarHBondContact O-N 2.76Å; V75-M77 VanDerWaalsContact C-N 3.3Å; V75-M77 HydrophobicContact CB-CG 3.89Å; V75-M77 HydrophobicContact CG2-CB 3.85Å; V75-M77 HydrophobicContact CG2-CG 3.42Å; V75-M77 VanDerWaalsContact CG2-CG 3.42Å
78	C	85.3	Confident	75.8	Confident	22 Å²	22	75.8 Å²	75.8	15%	0.149	43%	0.429	C	S	.	.	S	Bend	trans	-65.6	148.6	174.6	-68.5	0	0	0	0	110.6	C72 D73	C72-C78 VanDerWaalsContact CA-SG 3.53Å; C72-C78 HydrophobicContact CB-CB 4.05Å; C72-C78 WeakPolarHBondContact CB-SG 3.3Å; C72-C78 PolarHBondContact O-N 2.93Å; C72-C78 WeakPolarHBondContact SG-CA 3.17Å; C72-C78 WeakPolarHBondContact SG-CB 3.38Å; C72-C78 CovalentContact SG-SG 2.02Å; C72-C78 PolarHBondContact SG-SG 2.78Å; D73-C78 PolarHBondContact N-SG 3.26Å; D73-C78 VanDerWaalsContact OD1-CB 3.3Å; D73-C78 WeakPolarHBondContact OD1-CB 3.29Å; D73-C78 PolarHBondContact OD1-SG 2.03Å
79	N	78.1	Confident	74.2	Confident	138 Å²	138	74.6 Å²	74.6	74%	0.738	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-58.3	124.7	162.3	-176.3	36.3	0	0	0	108.3	K81	N79-K81 PolarHBondContact O-N 3.41Å
80	P	70.8	Confident	73.2	Confident	96 Å²	96	69.5 Å²	69.5	62%	0.623	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-55.3	119.2	177.2	19.7	-31.3	0	0	0	109	N82	P80-N82 PolarHBondContact O-N 3.05Å
81	K	63.8	Low	73	Confident	128 Å²	128	71.3 Å²	71.3	56%	0.557	41%	0.413	S	S	*	.			trans	-70.1	87.6	174.6	-65.1	176.5	-176.4	166	0	107.1	N79 Y83	N79-K81 PolarHBondContact O-N 3.41Å; K81-Y83 HydrophobicContact CB-CD2 4.23Å; K81-Y83 HydrophobicContact CB-CE2 3.93Å; K81-Y83 WeakPolarHBondContact O-CD2 3.25Å; K81-Y83 PolarHBondContact O-N 2.76Å
82	N	58.2	Low	73	Confident	112 Å²	112	72.8 Å²	72.8	60%	0.599	42%	0.423	S	S	*	.			trans	-66.9	93.5	164.1	-94.7	-21.8	0	0	0	106.7	P80 S84	P80-N82 PolarHBondContact O-N 3.05Å; N82-S84 CarbonylContact O-C 3.46Å; N82-S84 PolarHBondContact O-N 2.92Å
83	Y	51.7	Low	73.2	Confident	159 Å²	159	75 Å²	75	62%	0.624	44%	0.437	S	S	*	.			trans	-65.5	19.9	166	-69.8	-82.5	0	0	0	112.4	K81 D85	K81-Y83 HydrophobicContact CB-CD2 4.23Å; K81-Y83 HydrophobicContact CB-CE2 3.93Å; K81-Y83 WeakPolarHBondContact O-CD2 3.25Å; K81-Y83 PolarHBondContact O-N 2.76Å; Y83-D85 PolarHBondContact O-N 2.95Å
84	S	52.4	Low	73.6	Confident	88 Å²	88	74.3 Å²	74.3	62%	0.615	44%	0.435	S	S	*	.			trans	-71.8	53.8	144.3	67.2	0	0	0	0	108.4	N82 S86	N82-S84 CarbonylContact O-C 3.46Å; N82-S84 PolarHBondContact O-N 2.92Å; S84-S86 PolarHBondContact O-N 3.02Å; S84-S86 VanDerWaalsContact O-N 3.09Å
85	D	54.3	Low	73.9	Confident	117 Å²	117	75.1 Å²	75.1	63%	0.626	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-62.6	116.1	171	-78.2	-42.2	0	0	0	105	Y83	Y83-D85 PolarHBondContact O-N 2.95Å
86	S	56.2	Low	74.3	Confident	85 Å²	85	80.7 Å²	80.7	59%	0.594	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-47.1	132.5	161.3	-64.8	0	0	0	0	106.3	S84 S90	S84-S86 PolarHBondContact O-N 3.02Å; S84-S86 VanDerWaalsContact O-N 3.09Å; S86-S90 VanDerWaalsContact C-OG 3.27Å; S86-S90 WeakPolarHBondContact CB-OG 2.94Å; S86-S90 PolarHBondContact O-OG 3.14Å
87	P	62.5	Low	74.7	Confident	84 Å²	84	78.6 Å²	78.6	55%	0.545	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-50	150.1	-169.1	15	-28.5	0	0	0	110.6	T89 S90	P87-T89 PolarHBondContact O-N 2.98Å; P87-S90 WeakPolarHBondContact O-CA 3.43Å; P87-S90 VanDerWaalsContact O-CB 3.25Å; P87-S90 WeakPolarHBondContact O-CB 3.43Å; P87-S90 PolarHBondContact O-N 3.42Å; P87-S90 PolarHBondContact O-OG 2.91Å
88	A	59.3	Low	75	Confident	80 Å²	80	85.5 Å²	85.5	66%	0.661	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-50.7	-28.3	-174.7	0	0	0	0	0	112.9	S90 K91	A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 2.99Å; A88-K91 WeakPolarHBondContact O-CB 3.38Å; A88-K91 PolarHBondContact O-N 3.34Å
89	T	61.1	Low	75.4	Confident	19 Å²	19	94.2 Å²	94.2	12%	0.117	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-62.3	-25.4	172.6	51.5	0	0	0	0	116.1	P87 K91 N197 F222	P87-T89 PolarHBondContact O-N 2.98Å; T89-K91 VanDerWaalsContact C-N 3.27Å; T89-N197 HydrophobicContact CG2-CB 4.14Å; T89-F222 WeakPolarHBondContact CG2-OXT 3.03Å
90	S	66.8	Low	76.2	Confident	35 Å²	35	90.4 Å²	90.4	25%	0.245	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-75.8	-15.3	176.8	71.8	0	0	0	0	113.2	S86 P87 A88 S92	S86-S90 VanDerWaalsContact C-OG 3.27Å; S86-S90 WeakPolarHBondContact CB-OG 2.94Å; S86-S90 PolarHBondContact O-OG 3.14Å; P87-S90 WeakPolarHBondContact O-CA 3.43Å; P87-S90 VanDerWaalsContact O-CB 3.25Å; P87-S90 WeakPolarHBondContact O-CB 3.43Å; P87-S90 PolarHBondContact O-N 3.42Å; P87-S90 PolarHBondContact O-OG 2.91Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 2.99Å; S90-S92 PolarHBondContact O-N 3.49Å
91	K	84.9	Confident	77.5	Confident	138 Å²	138	89.7 Å²	89.7	60%	0.6	47%	0.47	S	S	*	.			trans	-64.5	134.6	171.3	-69.6	-173.2	177.5	178.8	0	108.4	A88 T89 H196	A88-K91 WeakPolarHBondContact O-CB 3.38Å; A88-K91 PolarHBondContact O-N 3.34Å; T89-K91 VanDerWaalsContact C-N 3.27Å; K91-H196 HydrophobicContact CB-CB 4.36Å; K91-H196 WeakPolarHBondContact CB-ND1 3.49Å; K91-H196 WeakPolarHBondContact O-CB 2.99Å; K91-H196 PolarHBondContact O-CD2 3.05Å; K91-H196 PolarHBondContact O-N 3.42Å
92	S	92.1	Very high	79	Confident	30 Å²	30	85.8 Å²	85.8	21%	0.21	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.1	-176.1	65.4	0	0	0	0	111.2	S90 R193 W194	S90-S92 PolarHBondContact O-N 3.49Å; S92-R193 PolarHBondContact OG-NH1 3.34Å; S92-W194 CarbonylContact C-O 3.3Å; S92-W194 WeakPolarHBondContact CA-O 3.47Å; S92-W194 WeakPolarHBondContact CB-O 3.25Å
93	T	95.4	Very high	80.8	Confident	52 Å²	52	84.4 Å²	84.4	32%	0.319	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.6	165.8	-53.4	0	0	0	0	108.9	I177 R193 W194 H196	T93-I177 HydrophobicContact CG2-CD1 3.57Å; T93-R193 WeakPolarHBondContact O-CA 3.29Å; T93-W194 PolarHBondContact N-O 3.5Å; T93-W194 PolarHBondContact O-N 3.07Å; T93-H196 PolarHBondContact OG1-NE2 3.4Å
94	V	96.7	Very high	82.9	Confident	50 Å²	50	79.9 Å²	79.9	30%	0.303	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147	-179.2	-64.4	0	0	0	0	110.3	Y192 R193 Y210	V94-Y192 WeakPolarHBondContact CA-O 3.26Å; V94-R193 HydrophobicContact CG1-CB 4.02Å; V94-R193 HydrophobicContact CG1-CG 3.9Å; V94-Y210 HydrophobicContact CB-CD1 3.51Å; V94-Y210 HydrophobicContact CB-CD2 3.99Å; V94-Y210 HydrophobicContact CB-CE1 3.72Å; V94-Y210 HydrophobicContact CB-CE2 4.2Å; V94-Y210 HydrophobicContact CB-CG 3.63Å; V94-Y210 HydrophobicContact CG1-CD1 4.05Å; V94-Y210 HydrophobicContact CG1-CD2 4.28Å; V94-Y210 HydrophobicContact CG1-CG 3.79Å; V94-Y210 HydrophobicContact CG2-CD1 4.13Å; V94-Y210 HydrophobicContact CG2-CD2 3.79Å; V94-Y210 HydrophobicContact CG2-CE1 4.02Å; V94-Y210 HydrophobicContact CG2-CE2 3.7Å; V94-Y210 HydrophobicContact CG2-CG 3.99Å
95	E	97.2	Very high	85	Confident	62 Å²	62	75.7 Å²	75.7	29%	0.29	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146	178.8	177.8	-175.7	165.7	0	0	110.6	K181 K191 Y192	E95-K181 IonicContact OE1-NZ 3.81Å; E95-K181 PolarHBondContact OE1-NZ 3.06Å; E95-K181 IonicContact OE2-NZ 3.13Å; E95-K191 WeakPolarHBondContact O-CA 3Å; E95-K191 WeakPolarHBondContact O-CB 3.31Å; E95-Y192 HydrophobicContact CB-CD1 4.12Å; E95-Y192 HydrophobicContact CB-CE1 3.44Å; E95-Y192 VanDerWaalsContact CB-CE1 3.44Å; E95-Y192 HydrophobicContact CG-CE1 3.93Å; E95-Y192 PolarHBondContact N-O 3.25Å; E95-Y192 VanDerWaalsContact N-O 3.17Å; E95-Y192 PolarHBondContact O-N 3.12Å; E95-Y192 VanDerWaalsContact OE2-CE1 3.3Å; E95-Y192 WeakPolarHBondContact OE2-CE1 3.17Å; E95-Y192 PolarHBondContact OE2-OH 3.44Å
96	E	97.7	Very high	86.9	Confident	134 Å²	134	75.4 Å²	75.4	63%	0.626	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	132.4	170.7	-173.4	167.9	-155.8	0	0	110.5	K191	E96-K191 HydrophobicContact CB-CG 4.47Å; E96-K191 HydrophobicContact CG-CG 4.34Å
97	L	97.3	Very high	88.7	Confident	7 Å²	7	74.4 Å²	74.4	4%	0.037	40%	0.401	C	S	.	.			trans	-84.6	136.1	-175.2	-65	176.6	0	0	0	110.8	R99 K181 C184 E185 G189 S190 Y192	L97-R99 PolarHBondContact O-N 3.01Å; L97-K181 HydrophobicContact CD2-CG 3.97Å; L97-C184 HydrophobicContact CD1-CB 3.7Å; L97-E185 HydrophobicContact CD1-CG 4.06Å; L97-E185 HydrophobicContact CD2-CG 3.67Å; L97-E185 HydrophobicContact CG-CG 4.31Å; L97-G189 WeakPolarHBondContact CD1-O 3.47Å; L97-S190 WeakPolarHBondContact CB-O 3.5Å; L97-S190 PolarHBondContact N-O 3.45Å; L97-Y192 HydrophobicContact CD2-CD1 3.64Å; L97-Y192 HydrophobicContact CD2-CE1 4.01Å; L97-Y192 HydrophobicContact CG-CD1 4.24Å
98	H	93.7	Very high	90.2	Very high	160 Å²	160	73.7 Å²	73.7	74%	0.741	39%	0.392	S	S	*	.	S	Bend	trans	-70.8	-26.6	-169.9	-175	61.9	0	0	0	114.5
99	R	93.1	Very high	91.8	Very high	205 Å²	205	70.9 Å²	70.9	77%	0.774	37%	0.367	S	S	*	.	S	Bend	trans	-137.5	70.4	-176.5	-62.9	-172.8	-169.7	178.1	5	111.2	L97	L97-R99 PolarHBondContact O-N 3.01Å
100	P	94.9	Very high	93.2	Very high	57 Å²	57	76.9 Å²	76.9	37%	0.37	39%	0.394	S	S	.	.			trans	-67.5	152.8	178.6	31.5	-36.1	0	0	0	111	P102 G189	P100-P102 VanDerWaalsContact C-CD 3.5Å; P100-P102 WeakPolarHBondContact O-CD 3.35Å; P100-G189 WeakPolarHBondContact CB-O 3.12Å
101	I	97.7	Very high	94	Very high	81 Å²	81	78.7 Å²	78.7	42%	0.415	42%	0.417	S	S	.	.			trans	-125.2	77.8	174.1	-49.6	177.3	0	0	0	107.4	S103 L104 F105 G188	I101-S103 PolarHBondContact O-N 3.06Å; I101-S103 VanDerWaalsContact O-N 3.11Å; I101-L104 HydrophobicContact CB-CB 3.97Å; I101-L104 HydrophobicContact CD1-CD2 4.4Å; I101-L104 HydrophobicContact CG2-CB 3.6Å; I101-L104 WeakPolarHBondContact O-CB 3.3Å; I101-L104 PolarHBondContact O-N 3.49Å; I101-F105 PolarHBondContact O-N 2.98Å; I101-F105 VanDerWaalsContact O-N 3.12Å; I101-G188 CarbonylContact C-O 3.47Å; I101-G188 VanDerWaalsContact C-O 3.3Å; I101-G188 PolarHBondContact N-O 2.79Å
102	P	95.9	Very high	93.7	Very high	47 Å²	47	79.9 Å²	79.9	31%	0.305	43%	0.43	S	S	.	.	H	α-helix	trans	-50	-39.8	-174.8	-35.1	40.1	0	0	0	114.9	P100 F105 R106 P205	P100-P102 VanDerWaalsContact C-CD 3.5Å; P100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-F105 PolarHBondContact O-N 3.35Å; P102-R106 WeakPolarHBondContact O-CG 3.35Å; P102-R106 PolarHBondContact O-N 3.35Å; P102-P205 HydrophobicContact CB-CB 4.2Å; P102-P205 HydrophobicContact CB-CG 3.8Å; P102-P205 HydrophobicContact CG-CB 4.23Å; P102-P205 HydrophobicContact CG-CG 4.33Å
103	S	96.4	Very high	92.8	Very high	83 Å²	83	81 Å²	81	58%	0.58	44%	0.441	S	S	*	.	H	α-helix	trans	-66.4	-36.6	179.2	50	0	0	0	0	112.8	I101 A107	I101-S103 PolarHBondContact O-N 3.06Å; I101-S103 VanDerWaalsContact O-N 3.11Å; S103-A107 WeakPolarHBondContact O-CB 3.42Å; S103-A107 PolarHBondContact O-N 3.4Å; S103-A107 VanDerWaalsContact O-N 3.09Å
104	L	96	Very high	91.8	Very high	63 Å²	63	80.8 Å²	80.8	33%	0.33	44%	0.441	S	S	.	.	H	α-helix	trans	-69.6	-45	176.8	178.3	62.1	0	0	0	110.5	I101 R106 A107 L108 S186	I101-L104 HydrophobicContact CB-CB 3.97Å; I101-L104 HydrophobicContact CD1-CD2 4.4Å; I101-L104 HydrophobicContact CG2-CB 3.6Å; I101-L104 WeakPolarHBondContact O-CB 3.3Å; I101-L104 PolarHBondContact O-N 3.49Å; L104-R106 PolarHBondContact O-N 3.38Å; L104-A107 PolarHBondContact O-N 3.09Å; L104-L108 HydrophobicContact CD1-CD1 3.85Å; L104-L108 HydrophobicContact CD1-CG 4Å; L104-L108 HydrophobicContact CG-CD1 3.89Å; L104-L108 HydrophobicContact CG-CG 4.39Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 WeakPolarHBondContact O-CG 3.11Å; L104-L108 PolarHBondContact O-N 3.3Å; L104-S186 WeakPolarHBondContact CD2-O 3.49Å
105	F	96	Very high	91	Very high	0 Å²	0	85.6 Å²	85.6	0%	0	46%	0.463	C	S	.	.	H	α-helix	trans	-57.8	-51.1	178	-173.3	-90.9	0	0	0	110.9	I101 P102 A107 L108 T109 T167 V169 M187 C202	I101-F105 PolarHBondContact O-N 2.98Å; I101-F105 VanDerWaalsContact O-N 3.12Å; P102-F105 PolarHBondContact O-N 3.35Å; F105-A107 PolarHBondContact O-N 2.93Å; F105-L108 PolarHBondContact O-N 3.24Å; F105-L108 VanDerWaalsContact O-N 3.14Å; F105-T109 HydrophobicContact CD1-CG2 4.13Å; F105-T109 HydrophobicContact CE1-CG2 3.79Å; F105-T109 HydrophobicContact CE2-CG2 4.33Å; F105-T109 HydrophobicContact CZ-CG2 3.92Å; F105-T109 WeakPolarHBondContact O-CG2 3.47Å; F105-T109 PolarHBondContact O-N 3.14Å; F105-T109 PolarHBondContact O-OG1 2.86Å; F105-T167 HydrophobicContact CE1-CG2 4.18Å; F105-V169 HydrophobicContact CE2-CG2 4.07Å; F105-V169 HydrophobicContact CZ-CG2 3.94Å; F105-M187 WeakPolarHBondContact CA-O 3.25Å; F105-M187 PolarHBondContact N-O 3.42Å; F105-C202 HydrophobicContact CE2-CB 4.07Å
106	R	94.8	Very high	90.5	Very high	111 Å²	111	87 Å²	87	42%	0.419	47%	0.472	S	S	.	.	H	α-helix	trans	-54.5	-51.9	176.4	-70.9	173.6	-171.8	154.1	1.8	111.4	P102 L104 L108 T109 E110 E206	P102-R106 WeakPolarHBondContact O-CG 3.35Å; P102-R106 PolarHBondContact O-N 3.35Å; L104-R106 PolarHBondContact O-N 3.38Å; R106-L108 VanDerWaalsContact C-N 3.26Å; R106-L108 PolarHBondContact O-N 3.24Å; R106-T109 CarbonylContact O-C 3.46Å; R106-T109 PolarHBondContact O-N 3.05Å; R106-T109 PolarHBondContact O-OG1 3.06Å; R106-T109 VanDerWaalsContact O-OG1 3.06Å; R106-E110 VanDerWaalsContact O-CG 3.29Å; R106-E110 WeakPolarHBondContact O-CG 3.04Å; R106-E110 PolarHBondContact O-N 2.81Å; R106-E206 IonicContact CZ-OE1 2.68Å; R106-E206 IonicContact NE-OE1 3.89Å; R106-E206 PolarHBondContact NE-OE1 2.91Å; R106-E206 IonicContact NH2-OE1 2.77Å; R106-E206 PolarHBondContact NH2-OE1 3.2Å
107	A	93.8	Very high	90.2	Very high	64 Å²	64	82.9 Å²	82.9	53%	0.529	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-31.6	180	0	0	0	0	0	114	S103 L104 F105	S103-A107 WeakPolarHBondContact O-CB 3.42Å; S103-A107 PolarHBondContact O-N 3.4Å; S103-A107 VanDerWaalsContact O-N 3.09Å; L104-A107 PolarHBondContact O-N 3.09Å; F105-A107 PolarHBondContact O-N 2.93Å
108	L	93.1	Very high	90	Very high	70 Å²	70	86.3 Å²	86.3	37%	0.366	47%	0.471	S	S	.	.	H	α-helix	trans	-84.7	-12.2	177.5	-67.9	177.4	0	0	0	113.8	L104 F105 R106 M187	L104-L108 HydrophobicContact CD1-CD1 3.85Å; L104-L108 HydrophobicContact CD1-CG 4Å; L104-L108 HydrophobicContact CG-CD1 3.89Å; L104-L108 HydrophobicContact CG-CG 4.39Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 WeakPolarHBondContact O-CG 3.11Å; L104-L108 PolarHBondContact O-N 3.3Å; F105-L108 PolarHBondContact O-N 3.24Å; F105-L108 VanDerWaalsContact O-N 3.14Å; R106-L108 VanDerWaalsContact C-N 3.26Å; R106-L108 PolarHBondContact O-N 3.24Å; L108-M187 HydrophobicContact CB-CE 4.21Å; L108-M187 HydrophobicContact CD1-CB 4.2Å; L108-M187 HydrophobicContact CD1-CE 4.39Å; L108-M187 HydrophobicContact CD1-CG 4.28Å
109	T	93.1	Very high	90.1	Very high	21 Å²	21	80.4 Å²	80.4	13%	0.129	45%	0.446	C	S	.	.	H	α-helix	trans	-110.2	-7.6	179.8	58.5	0	0	0	0	113.6	F105 R106 V119 T167 V169	F105-T109 HydrophobicContact CD1-CG2 4.13Å; F105-T109 HydrophobicContact CE1-CG2 3.79Å; F105-T109 HydrophobicContact CE2-CG2 4.33Å; F105-T109 HydrophobicContact CZ-CG2 3.92Å; F105-T109 WeakPolarHBondContact O-CG2 3.47Å; F105-T109 PolarHBondContact O-N 3.14Å; F105-T109 PolarHBondContact O-OG1 2.86Å; R106-T109 CarbonylContact O-C 3.46Å; R106-T109 PolarHBondContact O-N 3.05Å; R106-T109 PolarHBondContact O-OG1 3.06Å; R106-T109 VanDerWaalsContact O-OG1 3.06Å; T109-V119 HydrophobicContact CG2-CG1 4.26Å; T109-V119 HydrophobicContact CG2-CG2 4.47Å; T109-T167 HydrophobicContact CG2-CG2 4.12Å; T109-V169 HydrophobicContact CG2-CG2 3.41Å; T109-V169 VanDerWaalsContact CG2-CG2 3.41Å
110	E	90.3	Very high	90.1	Very high	145 Å²	145	72 Å²	72	68%	0.678	42%	0.417	S	S	*	.	S	Bend	trans	-78.4	125.8	174.3	-80.5	170.7	-160.1	0	0	110.7	R106	R106-E110 VanDerWaalsContact O-CG 3.29Å; R106-E110 WeakPolarHBondContact O-CG 3.04Å; R106-E110 PolarHBondContact O-N 2.81Å
111	G	83.4	Confident	90	Very high	72 Å²	72	72.5 Å²	72.5	74%	0.742	42%	0.422	S	S	*	.	S	Bend	trans	92.4	-145.1	176.2	0	0	0	0	0	113.8
112	D	79	Confident	89.7	Confident	164 Å²	164	69.7 Å²	69.7	88%	0.877	41%	0.407	S	S	*	.	S	Bend	trans	-71.8	138.5	-178.7	-71	-29.4	0	0	0	111.1
113	A	74.1	Confident	89.5	Confident	53 Å²	53	69.1 Å²	69.1	44%	0.438	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-62.4	135.7	-179.7	0	0	0	0	0	111.2	M117 V119	A113-M117 WeakPolarHBondContact CB-O 3.15Å; A113-V119 HydrophobicContact CB-CG2 4.05Å
114	P	74.8	Confident	89.1	Confident	47 Å²	47	66.2 Å²	66.2	31%	0.305	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-56.1	153.8	171.5	-24.2	33.5	0	0	0	112.3	N116 M117	P114-N116 PolarHBondContact O-N 2.95Å; P114-M117 HydrophobicContact CB-CB 4.47Å; P114-M117 HydrophobicContact CB-CG 4.41Å; P114-M117 HydrophobicContact CB-SD 4.03Å; P114-M117 HydrophobicContact CG-SD 4.27Å; P114-M117 PolarHBondContact O-N 3.09Å; P114-M117 VanDerWaalsContact O-N 3.15Å
115	I	79	Confident	88.5	Confident	151 Å²	151	66.9 Å²	66.9	77%	0.774	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	134.9	177.2	-55	173	0	0	0	109.7	M117	I115-M117 VanDerWaalsContact C-N 3.31Å
116	N	87.4	Confident	87.9	Confident	91 Å²	91	71.1 Å²	71.1	49%	0.487	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	22.9	-177.9	-52.2	-26.9	0	0	0	115.1	P114 D172	P114-N116 PolarHBondContact O-N 2.95Å; N116-D172 WeakPolarHBondContact CA-OD2 3.46Å; N116-D172 HydrophobicContact CB-CB 4.47Å; N116-D172 PolarHBondContact O-N 2.82Å
117	M	91.4	Very high	87.1	Confident	49 Å²	49	66.3 Å²	66.3	24%	0.241	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.3	176.6	-55.4	-175.3	-162.3	0	0	111.3	A113 P114 I115 V169 Y170 F171 M187	A113-M117 WeakPolarHBondContact CB-O 3.15Å; P114-M117 HydrophobicContact CB-CB 4.47Å; P114-M117 HydrophobicContact CB-CG 4.41Å; P114-M117 HydrophobicContact CB-SD 4.03Å; P114-M117 HydrophobicContact CG-SD 4.27Å; P114-M117 PolarHBondContact O-N 3.09Å; P114-M117 VanDerWaalsContact O-N 3.15Å; I115-M117 VanDerWaalsContact C-N 3.31Å; M117-V169 HydrophobicContact CB-CG1 4.01Å; M117-V169 HydrophobicContact CG-CG1 4.46Å; M117-V169 HydrophobicContact SD-CG1 4.18Å; M117-Y170 CarbonylContact C-O 3.6Å; M117-Y170 VanDerWaalsContact CA-O 3.26Å; M117-Y170 WeakPolarHBondContact CA-O 3.36Å; M117-F171 HydrophobicContact CE-CD1 4.12Å; M117-F171 HydrophobicContact CE-CE1 3.45Å; M117-F171 VanDerWaalsContact CE-CE1 3.45Å; M117-F171 HydrophobicContact CE-CZ 4.22Å; M117-F171 HydrophobicContact CG-CD1 4.09Å; M117-F171 HydrophobicContact CG-CE1 4.17Å; M117-F171 HydrophobicContact SD-CD1 4.38Å; M117-F171 HydrophobicContact SD-CE1 3.85Å; M117-F171 HydrophobicContact SD-CZ 4.24Å; M117-M187 HydrophobicContact SD-CE 3.97Å; M117-M187 HydrophobicContact SD-SD 4.04Å
118	M	92.7	Very high	86	Confident	79 Å²	79	67.8 Å²	67.8	39%	0.389	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.2	173.4	-174.4	-171.2	-171.8	0	0	109.9	V120 V169 Y170 K216	M118-V120 HydrophobicContact CE-CG2 3.92Å; M118-V120 HydrophobicContact CG-CG2 4.04Å; M118-V120 HydrophobicContact SD-CG2 4.07Å; M118-V169 CarbonylContact O-C 3.53Å; M118-V169 WeakPolarHBondContact O-CA 3.38Å; M118-Y170 PolarHBondContact N-O 2.82Å; M118-Y170 PolarHBondContact O-N 2.93Å; M118-K216 HydrophobicContact SD-CB 4.22Å; M118-K216 HydrophobicContact SD-CD 4.33Å
119	V	94.5	Very high	84.4	Confident	35 Å²	35	66.9 Å²	66.9	21%	0.212	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.8	173.1	-174.3	0	0	0	0	109.1	T109 A113 T167 V169	T109-V119 HydrophobicContact CG2-CG1 4.26Å; T109-V119 HydrophobicContact CG2-CG2 4.47Å; A113-V119 HydrophobicContact CB-CG2 4.05Å; V119-T167 HydrophobicContact CG1-CG2 3.69Å; V119-V169 HydrophobicContact CG2-CG2 4.29Å
120	V	93	Very high	82.5	Confident	28 Å²	28	72.5 Å²	72.5	17%	0.17	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.6	178.2	-176.7	0	0	0	0	109	M118 F122 T167 V168 Y170 K216	M118-V120 HydrophobicContact CE-CG2 3.92Å; M118-V120 HydrophobicContact CG-CG2 4.04Å; M118-V120 HydrophobicContact SD-CG2 4.07Å; V120-F122 HydrophobicContact CG1-CD1 4.25Å; V120-T167 CarbonylContact O-C 3.57Å; V120-T167 WeakPolarHBondContact O-CA 3.44Å; V120-V168 HydrophobicContact CB-CG2 3.91Å; V120-V168 PolarHBondContact N-O 3.21Å; V120-V168 PolarHBondContact O-N 3.14Å; V120-Y170 HydrophobicContact CB-CE2 4.37Å; V120-Y170 HydrophobicContact CG2-CD2 4.1Å; V120-Y170 HydrophobicContact CG2-CE2 3.98Å; V120-K216 HydrophobicContact CG2-CD 4.09Å
121	S	93.1	Very high	80.5	Confident	68 Å²	68	71.7 Å²	71.7	48%	0.476	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	175	-57.7	0	0	0	0	109.9	C166 T167	S121-C166 VanDerWaalsContact CA-O 3.3Å; S121-C166 WeakPolarHBondContact CA-O 3.25Å; S121-T167 WeakPolarHBondContact OG-CG2 3.43Å; S121-T167 PolarHBondContact OG-OG1 3.13Å
122	F	91.7	Very high	78.6	Confident	23 Å²	23	73.8 Å²	73.8	10%	0.101	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.9	178.5	55.3	-87.9	0	0	0	110.4	V120 V124 E126 E127 M165 C166 V168	V120-F122 HydrophobicContact CG1-CD1 4.25Å; F122-V124 PolarHBondContact O-N 2.98Å; F122-E126 HydrophobicContact CD2-CB 4.09Å; F122-E127 HydrophobicContact CE2-CB 4.03Å; F122-E127 HydrophobicContact CE2-CG 4.47Å; F122-M165 CarbonylContact O-C 3.51Å; F122-M165 WeakPolarHBondContact O-CA 3.42Å; F122-C166 HydrophobicContact CD2-CB 4.26Å; F122-C166 HydrophobicContact CE1-CB 4.47Å; F122-C166 HydrophobicContact CE2-CB 3.86Å; F122-C166 HydrophobicContact CZ-CB 3.98Å; F122-C166 WeakPolarHBondContact CZ-SG 3.47Å; F122-C166 PolarHBondContact N-O 3.44Å; F122-C166 PolarHBondContact O-N 2.98Å; F122-V168 HydrophobicContact CE1-CG1 4.26Å; F122-V168 HydrophobicContact CE1-CG2 4.11Å
123	P	91.7	Very high	76.7	Confident	34 Å²	34	72.3 Å²	72.3	22%	0.221	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	134.6	176.1	-23.9	31.7	0	0	0	111.3	A125 E126 M165	P123-A125 PolarHBondContact O-N 3.45Å; P123-E126 HydrophobicContact CB-CG 4.26Å; P123-E126 WeakPolarHBondContact CD-OE1 3.42Å; P123-E126 HydrophobicContact CG-CG 4.37Å; P123-E126 WeakPolarHBondContact CG-OE1 3.42Å; P123-E126 WeakPolarHBondContact O-CB 3.45Å; P123-E126 PolarHBondContact O-N 3.43Å; P123-M165 HydrophobicContact CG-CE 4.14Å; P123-M165 HydrophobicContact CG-SD 4.16Å
124	V	89	Confident	75.4	Confident	23 Å²	23	74.8 Å²	74.8	14%	0.139	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.4	-179.6	162.1	0	0	0	0	113.2	F122 E126 E127 K164 C166 E206 L208	F122-V124 PolarHBondContact O-N 2.98Å; V124-E126 PolarHBondContact O-N 3.39Å; V124-E127 VanDerWaalsContact O-CB 3.32Å; V124-E127 WeakPolarHBondContact O-CB 3.46Å; V124-E127 PolarHBondContact O-N 3.25Å; V124-K164 WeakPolarHBondContact CB-O 3.32Å; V124-K164 HydrophobicContact CG2-CB 4.13Å; V124-K164 WeakPolarHBondContact CG2-O 3.09Å; V124-K164 PolarHBondContact N-O 3.32Å; V124-K164 VanDerWaalsContact N-O 3.09Å; V124-C166 HydrophobicContact CG2-CB 3.93Å; V124-E206 VanDerWaalsContact CG2-O 3.25Å; V124-E206 WeakPolarHBondContact CG2-O 3.31Å; V124-L208 HydrophobicContact CG1-CB 4.45Å; V124-L208 HydrophobicContact CG1-CD1 3.3Å; V124-L208 HydrophobicContact CG1-CG 3.49Å; V124-L208 VanDerWaalsContact CG1-CG 3.49Å
125	A	83.5	Confident	74	Confident	76 Å²	76	76.1 Å²	76.1	63%	0.628	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.2	175.1	0	0	0	0	0	112.7	P123 E127 F128 T129	P123-A125 PolarHBondContact O-N 3.45Å; A125-E127 VanDerWaalsContact C-N 3.25Å; A125-E127 PolarHBondContact O-N 3.48Å; A125-F128 PolarHBondContact O-N 2.89Å; A125-T129 WeakPolarHBondContact O-CG2 3.46Å
126	E	82.8	Confident	72.4	Confident	90 Å²	90	71.6 Å²	71.6	42%	0.421	39%	0.388	S	S	.	.	H	α-helix	trans	-71.5	-17.7	-177.4	-65.9	-178.7	-164.9	0	0	113.5	F122 P123 V124 F128 T129	F122-E126 HydrophobicContact CD2-CB 4.09Å; P123-E126 HydrophobicContact CB-CG 4.26Å; P123-E126 WeakPolarHBondContact CD-OE1 3.42Å; P123-E126 HydrophobicContact CG-CG 4.37Å; P123-E126 WeakPolarHBondContact CG-OE1 3.42Å; P123-E126 WeakPolarHBondContact O-CB 3.45Å; P123-E126 PolarHBondContact O-N 3.43Å; V124-E126 PolarHBondContact O-N 3.39Å; E126-F128 PolarHBondContact O-N 3.06Å; E126-F128 VanDerWaalsContact O-N 3.14Å; E126-T129 WeakPolarHBondContact CA-OG1 3.38Å; E126-T129 PolarHBondContact O-N 3.46Å; E126-T129 PolarHBondContact O-OG1 2.91Å
127	E	78.8	Confident	70.3	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.042	40%	0.395	C	S	.	.	H	α-helix	trans	-56.6	-31.1	177.1	-164.9	172	-162.8	0	0	112.1	F122 V124 A125 L208 D209 Y210 G211	F122-E127 HydrophobicContact CE2-CB 4.03Å; F122-E127 HydrophobicContact CE2-CG 4.47Å; V124-E127 VanDerWaalsContact O-CB 3.32Å; V124-E127 WeakPolarHBondContact O-CB 3.46Å; V124-E127 PolarHBondContact O-N 3.25Å; A125-E127 VanDerWaalsContact C-N 3.25Å; A125-E127 PolarHBondContact O-N 3.48Å; E127-L208 WeakPolarHBondContact OE2-CA 3.43Å; E127-L208 WeakPolarHBondContact OE2-CB 3.42Å; E127-L208 PolarHBondContact OE2-N 2.78Å; E127-D209 HydrophobicContact CG-CB 4.31Å; E127-D209 WeakPolarHBondContact OE1-CA 3.27Å; E127-D209 WeakPolarHBondContact OE1-CB 3.5Å; E127-D209 PolarHBondContact OE1-N 2.85Å; E127-D209 PolarHBondContact OE2-N 3.24Å; E127-Y210 PolarHBondContact OE1-N 3.46Å; E127-G211 WeakPolarHBondContact OE1-CA 3.46Å; E127-G211 PolarHBondContact OE1-N 3.3Å
128	F	68.9	Low	68.3	Low	95 Å²	95	77.2 Å²	77.2	42%	0.417	41%	0.412	S	S	.	.	H	α-helix	trans	-101.7	-20.1	-178.3	-57.8	-79.1	0	0	0	113.9	A125 E126 H130 H131 L208 D209	A125-F128 PolarHBondContact O-N 2.89Å; E126-F128 PolarHBondContact O-N 3.06Å; E126-F128 VanDerWaalsContact O-N 3.14Å; F128-H130 PolarHBondContact O-N 2.96Å; F128-H130 VanDerWaalsContact O-N 3.15Å; F128-H131 WeakPolarHBondContact O-CB 3.27Å; F128-H131 PolarHBondContact O-N 3.07Å; F128-L208 HydrophobicContact CE2-CB 3.84Å; F128-L208 HydrophobicContact CE2-CD1 3.78Å; F128-L208 HydrophobicContact CE2-CG 4.42Å; F128-L208 HydrophobicContact CZ-CB 3.82Å; F128-L208 HydrophobicContact CZ-CD1 4.41Å; F128-D209 HydrophobicContact CE1-CB 4.06Å; F128-D209 HydrophobicContact CZ-CB 4Å
129	T	60.2	Low	66.1	Low	52 Å²	52	80.6 Å²	80.6	32%	0.319	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-24.1	-174.9	57.1	0	0	0	0	114.6	A125 E126 H131 E132	A125-T129 WeakPolarHBondContact O-CG2 3.46Å; E126-T129 WeakPolarHBondContact CA-OG1 3.38Å; E126-T129 PolarHBondContact O-N 3.46Å; E126-T129 PolarHBondContact O-OG1 2.91Å; T129-H131 PolarHBondContact O-N 3Å; T129-H131 VanDerWaalsContact O-N 3.07Å; T129-E132 PolarHBondContact O-N 2.82Å
130	H	52.8	Low	63.8	Low	138 Å²	138	83 Å²	83	64%	0.639	45%	0.445	S	S	*	.	H	α-helix	trans	-67.5	-7.2	174.2	-73.1	67.3	0	0	0	113.2	F128	F128-H130 PolarHBondContact O-N 2.96Å; F128-H130 VanDerWaalsContact O-N 3.15Å
131	H	49.2	Very low	61.7	Low	129 Å²	129	88 Å²	88	60%	0.597	47%	0.47	S	S	*	.	H	α-helix	trans	-100.2	-19.7	168.7	-146.7	63.6	0	0	0	113	F128 T129 L134	F128-H131 WeakPolarHBondContact O-CB 3.27Å; F128-H131 PolarHBondContact O-N 3.07Å; T129-H131 PolarHBondContact O-N 3Å; T129-H131 VanDerWaalsContact O-N 3.07Å; H131-L134 PolarHBondContact O-N 3.15Å
132	E	43.3	Very low	59.5	Low	115 Å²	115	91.5 Å²	91.5	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-81	-14.8	-175.8	-66	-156.3	155.4	0	0	114.3	T129 L134 V135 S136	T129-E132 PolarHBondContact O-N 2.82Å; E132-L134 PolarHBondContact O-N 3.46Å; E132-L134 VanDerWaalsContact O-N 3.1Å; E132-V135 PolarHBondContact O-N 3.28Å; E132-V135 VanDerWaalsContact O-N 3.11Å; E132-S136 WeakPolarHBondContact O-CB 3.42Å; E132-S136 PolarHBondContact O-N 2.8Å; E132-S136 PolarHBondContact O-OG 2.96Å
133	N	39.7	Very low	56.9	Low	134 Å²	134	95.5 Å²	95.5	72%	0.717	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-11.5	168.3	-75.2	-26.3	0	0	0	112.9
134	L	46.6	Very low	54.3	Low	104 Å²	104	102.2 Å²	102.2	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-97.5	-27.8	172.8	-139	138.8	0	0	0	112.3	H131 E132 L138	H131-L134 PolarHBondContact O-N 3.15Å; E132-L134 PolarHBondContact O-N 3.46Å; E132-L134 VanDerWaalsContact O-N 3.1Å; L134-L138 WeakPolarHBondContact O-CG 3.47Å
135	V	45.3	Very low	52	Low	75 Å²	75	107 Å²	107	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-79.6	-40	176.3	-177	0	0	0	0	111.3	E132 F137 L138 E139	E132-V135 PolarHBondContact O-N 3.28Å; E132-V135 VanDerWaalsContact O-N 3.11Å; V135-F137 PolarHBondContact O-N 3.35Å; V135-L138 PolarHBondContact O-N 3.11Å; V135-E139 PolarHBondContact O-N 3.09Å
136	S	44.5	Very low	49.7	Very low	57 Å²	57	111.5 Å²	111.5	40%	0.399	58%	0.582	S	S	.	*	H	α-helix	trans	-63.4	-28	176.9	57.8	0	0	0	0	113.5	E132 S140	E132-S136 WeakPolarHBondContact O-CB 3.42Å; E132-S136 PolarHBondContact O-N 2.8Å; E132-S136 PolarHBondContact O-OG 2.96Å; S136-S140 WeakPolarHBondContact O-CB 3.47Å; S136-S140 PolarHBondContact O-N 2.92Å; S136-S140 PolarHBondContact O-OG 2.99Å
137	F	43.3	Very low	47.6	Very low	145 Å²	145	115.4 Å²	115.4	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-73.2	-34.4	173.4	-151.9	-91	0	0	0	112.2	V135 L141	V135-F137 PolarHBondContact O-N 3.35Å; F137-L141 HydrophobicContact CD1-CD1 4.14Å; F137-L141 HydrophobicContact CE1-CD1 4.1Å; F137-L141 WeakPolarHBondContact O-CG 3.21Å; F137-L141 PolarHBondContact O-N 2.83Å
138	L	49.3	Very low	45.6	Very low	113 Å²	113	120 Å²	120	59%	0.592	64%	0.635	S	S	*	*	H	α-helix	trans	-74.1	-34.8	175.2	-67.1	173.9	0	0	0	112	L134 V135 L141	L134-L138 WeakPolarHBondContact O-CG 3.47Å; V135-L138 PolarHBondContact O-N 3.11Å; L138-L141 PolarHBondContact O-N 3.34Å
139	E	46.1	Very low	44.3	Very low	149 Å²	149	121.2 Å²	121.2	70%	0.696	66%	0.655	S	S	*	*	H	α-helix	trans	-72.5	-32.7	176.7	-160.1	159.3	-162.1	0	0	111.9	V135 L141 N142	V135-E139 PolarHBondContact O-N 3.09Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 2.88Å; E139-N142 PolarHBondContact O-N 3.1Å
140	S	46.3	Very low	43.3	Very low	87 Å²	87	124.3 Å²	124.3	61%	0.608	67%	0.674	S	S	*	*	H	α-helix	trans	-71.6	-19	175	-61.5	0	0	0	0	114.1	S136	S136-S140 WeakPolarHBondContact O-CB 3.47Å; S136-S140 PolarHBondContact O-N 2.92Å; S136-S140 PolarHBondContact O-OG 2.99Å
141	L	49.3	Very low	42.7	Very low	132 Å²	132	123.4 Å²	123.4	69%	0.691	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-8.4	176.9	-72	175	0	0	0	113.5	F137 L138 E139	F137-L141 HydrophobicContact CD1-CD1 4.14Å; F137-L141 HydrophobicContact CE1-CD1 4.1Å; F137-L141 WeakPolarHBondContact O-CG 3.21Å; F137-L141 PolarHBondContact O-N 2.83Å; L138-L141 PolarHBondContact O-N 3.34Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 2.88Å
142	N	46.6	Very low	42.3	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	68%	0.684	S	S	*	*			trans	-117.6	18.1	-174.8	-139	10.4	0	0	0	114.5	E139 Q144	E139-N142 PolarHBondContact O-N 3.1Å; N142-Q144 VanDerWaalsContact C-N 3.3Å; N142-Q144 PolarHBondContact O-N 3.19Å
143	S	37.7	Very low	42	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	70%	0.698	S	S	*	*			trans	-77	78.2	174.7	67.1	0	0	0	0	111.9
144	Q	36.5	Very low	42.3	Very low	175 Å²	175	120.5 Å²	120.5	82%	0.818	70%	0.695	S	S	*	*	S	Bend	trans	-112.1	128.6	145.5	-131.2	-178.7	9.8	0	0	107.2	N142 Q146	N142-Q144 VanDerWaalsContact C-N 3.3Å; N142-Q144 PolarHBondContact O-N 3.19Å; Q144-Q146 PolarHBondContact O-N 3.14Å; Q144-Q146 VanDerWaalsContact O-N 3.11Å
145	P	41.8	Very low	42	Very low	123 Å²	123	122.2 Å²	122.2	80%	0.799	70%	0.704	S	S	*	*			trans	-75.1	109.9	-163.3	29.5	-32.2	0	0	0	110.2
146	Q	34.2	Very low	42.3	Very low	172 Å²	172	127.3 Å²	127.3	80%	0.804	72%	0.722	S	S	*	*			trans	-107.5	109.8	162.5	-67.4	-148.9	-26.5	0	0	109.4	Q144 V148	Q144-Q146 PolarHBondContact O-N 3.14Å; Q144-Q146 VanDerWaalsContact O-N 3.11Å; Q146-V148 HydrophobicContact CB-CG2 4.48Å; Q146-V148 PolarHBondContact O-N 3.19Å
147	N	39.8	Very low	42	Very low	171 Å²	171	129.9 Å²	129.9	91%	0.914	74%	0.736	S	S	*	*			trans	-59.9	94.1	166.5	-83.4	-11.9	0	0	0	109.2
148	V	37	Very low	41.8	Very low	107 Å²	107	126.7 Å²	126.7	65%	0.648	74%	0.744	S	S	*	*			trans	-109.7	98	166.3	-176.5	0	0	0	0	107.7	Q146 V150	Q146-V148 HydrophobicContact CB-CG2 4.48Å; Q146-V148 PolarHBondContact O-N 3.19Å; V148-V150 HydrophobicContact CG1-CG2 4.07Å; V148-V150 PolarHBondContact O-N 3.08Å
149	S	41.5	Very low	41.6	Very low	120 Å²	120	128.7 Å²	128.7	84%	0.839	75%	0.754	S	S	*	*			trans	-69.9	101.9	168	51.5	0	0	0	0	109.2
150	V	38.6	Very low	41.6	Very low	117 Å²	117	128 Å²	128	71%	0.709	76%	0.755	S	S	*	*			trans	-87.9	132	168.6	-177.3	0	0	0	0	108.4	V148 G152	V148-V150 HydrophobicContact CG1-CG2 4.07Å; V148-V150 PolarHBondContact O-N 3.08Å; V150-G152 PolarHBondContact O-N 3.27Å
151	P	40.1	Very low	41.7	Very low	118 Å²	118	128.3 Å²	128.3	77%	0.766	76%	0.755	S	S	*	*			trans	-63	119.6	-176.7	-18.4	30.4	0	0	0	111.4	N153	P151-N153 PolarHBondContact O-N 2.93Å
152	G	41.4	Very low	41.8	Very low	67 Å²	67	129.7 Å²	129.7	69%	0.691	76%	0.757	S	S	*	*			trans	-70.3	105.6	175.4	0	0	0	0	0	111.5	V150 S154	V150-G152 PolarHBondContact O-N 3.27Å; G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 3.07Å
153	N	36.1	Very low	42.6	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	75%	0.752	S	S	*	*			trans	-88.4	79.9	150.1	-93.5	10.3	0	0	0	107.8	P151 I155	P151-N153 PolarHBondContact O-N 2.93Å; N153-I155 VanDerWaalsContact C-N 3.26Å; N153-I155 PolarHBondContact O-N 2.98Å
154	S	45.9	Very low	44.7	Very low	94 Å²	94	132 Å²	132	66%	0.657	75%	0.749	S	S	*	*			trans	-65.7	88	165.2	45.9	0	0	0	0	108.9	G152 H156	G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 3.07Å; S154-H156 PolarHBondContact O-N 2.02Å
155	I	41.7	Very low	47.2	Very low	141 Å²	141	126.9 Å²	126.9	72%	0.723	73%	0.726	S	S	*	*			trans	-71.8	89.6	154.8	-61.8	-174.9	0	0	0	105.5	N153 T157	N153-I155 VanDerWaalsContact C-N 3.26Å; N153-I155 PolarHBondContact O-N 2.98Å; I155-T157 HydrophobicContact CG2-CG2 3.88Å; I155-T157 PolarHBondContact O-N 3.03Å
156	H	50.2	Low	49.7	Very low	181 Å²	181	121 Å²	121	84%	0.838	69%	0.688	S	S	*	*			trans	-54.1	95	156.8	-89.9	-79.8	0	0	0	108	S154	S154-H156 PolarHBondContact O-N 2.02Å
157	T	39.9	Very low	52.7	Low	111 Å²	111	113.7 Å²	113.7	68%	0.681	66%	0.655	S	S	*	*			trans	-105.2	119.8	153.1	41.2	0	0	0	0	105.4	I155 I159	I155-T157 HydrophobicContact CG2-CG2 3.88Å; I155-T157 PolarHBondContact O-N 3.03Å; T157-I159 PolarHBondContact O-N 2.02Å; T157-I159 VanDerWaalsContact O-N 3.1Å
158	G	38.9	Very low	55.4	Low	79 Å²	79	105.5 Å²	105.5	81%	0.814	61%	0.611	S	S	*	*			trans	-51.9	117.5	-172.6	0	0	0	0	0	111.3	D160	G158-D160 PolarHBondContact O-N 3.4Å; G158-D160 VanDerWaalsContact O-N 3.09Å
159	I	44.3	Very low	58.2	Low	155 Å²	155	100.4 Å²	100.4	80%	0.795	58%	0.581	S	S	*	*			trans	-70.2	99.6	164.5	-62.7	172.2	0	0	0	105.7	T157 P161	T157-I159 PolarHBondContact O-N 2.02Å; T157-I159 VanDerWaalsContact O-N 3.1Å; I159-P161 HydrophobicContact CG2-CB 3.85Å; I159-P161 HydrophobicContact CG2-CG 4.13Å
160	D	46.8	Very low	60.8	Low	134 Å²	134	94.7 Å²	94.7	72%	0.717	54%	0.541	S	S	*	.			trans	-98.3	100.1	154.2	-160.7	-27.4	0	0	0	106.4	G158 H162	G158-D160 PolarHBondContact O-N 3.4Å; G158-D160 VanDerWaalsContact O-N 3.09Å; D160-H162 VanDerWaalsContact C-N 3.3Å; D160-H162 PolarHBondContact O-N 2.79Å; D160-H162 VanDerWaalsContact O-N 3.13Å; D160-H162 IonicContact OD1-CD2 2.67Å
161	P	47.5	Very low	63.5	Low	93 Å²	93	90 Å²	90	60%	0.604	51%	0.511	S	S	*	.			trans	-91.1	59.9	-167.2	36.8	-31.7	0	0	0	110.6	I159 E163	I159-P161 HydrophobicContact CG2-CB 3.85Å; I159-P161 HydrophobicContact CG2-CG 4.13Å; P161-E163 PolarHBondContact O-N 2.87Å
162	H	52	Low	66	Low	162 Å²	162	85.5 Å²	85.5	75%	0.75	48%	0.48	S	S	*	.			trans	-64.2	95.9	148.1	-83.5	-85.1	0	0	0	106.2	D160 K164	D160-H162 VanDerWaalsContact C-N 3.3Å; D160-H162 PolarHBondContact O-N 2.79Å; D160-H162 VanDerWaalsContact O-N 3.13Å; D160-H162 IonicContact OD1-CD2 2.67Å; H162-K164 PolarHBondContact O-N 3.28Å
163	E	62.9	Low	68.4	Low	139 Å²	139	86.1 Å²	86.1	65%	0.65	47%	0.468	S	S	*	.			trans	-49.5	99.5	174.6	-68.2	176.5	165.3	0	0	108.9	P161 M165	P161-E163 PolarHBondContact O-N 2.87Å; E163-M165 HydrophobicContact CB-CE 3.68Å; E163-M165 PolarHBondContact O-N 3.34Å; E163-M165 VanDerWaalsContact OE2-CE 3.27Å; E163-M165 WeakPolarHBondContact OE2-CE 3.46Å
164	K	81	Confident	71.2	Confident	156 Å²	156	81.5 Å²	81.5	68%	0.678	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-62.9	117.1	174.5	-70.3	-179.3	-176.3	174.2	0	106.4	V124 H162	V124-K164 WeakPolarHBondContact CB-O 3.32Å; V124-K164 HydrophobicContact CG2-CB 4.13Å; V124-K164 WeakPolarHBondContact CG2-O 3.09Å; V124-K164 PolarHBondContact N-O 3.32Å; V124-K164 VanDerWaalsContact N-O 3.09Å; H162-K164 PolarHBondContact O-N 3.28Å
165	M	90.8	Very high	73.5	Confident	69 Å²	69	77.6 Å²	77.6	34%	0.34	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.5	176.6	-65.9	-69.3	157	0	0	108.1	F122 P123 E163 T167 E206	F122-M165 CarbonylContact O-C 3.51Å; F122-M165 WeakPolarHBondContact O-CA 3.42Å; P123-M165 HydrophobicContact CG-CE 4.14Å; P123-M165 HydrophobicContact CG-SD 4.16Å; E163-M165 HydrophobicContact CB-CE 3.68Å; E163-M165 PolarHBondContact O-N 3.34Å; E163-M165 VanDerWaalsContact OE2-CE 3.27Å; E163-M165 WeakPolarHBondContact OE2-CE 3.46Å; M165-T167 PolarHBondContact O-N 3.24Å; M165-E206 WeakPolarHBondContact O-CB 3.03Å
166	C	94.2	Very high	76.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.5	166.3	167.1	0	0	0	0	107.6	S121 F122 V124 C207	S121-C166 VanDerWaalsContact CA-O 3.3Å; S121-C166 WeakPolarHBondContact CA-O 3.25Å; F122-C166 HydrophobicContact CD2-CB 4.26Å; F122-C166 HydrophobicContact CE1-CB 4.47Å; F122-C166 HydrophobicContact CE2-CB 3.86Å; F122-C166 HydrophobicContact CZ-CB 3.98Å; F122-C166 WeakPolarHBondContact CZ-SG 3.47Å; F122-C166 PolarHBondContact N-O 3.44Å; F122-C166 PolarHBondContact O-N 2.98Å; V124-C166 HydrophobicContact CG2-CB 3.93Å; C166-C207 WeakPolarHBondContact CA-SG 3.03Å; C166-C207 HydrophobicContact CB-CB 3.93Å; C166-C207 WeakPolarHBondContact CB-SG 3Å; C166-C207 WeakPolarHBondContact SG-CB 3.37Å; C166-C207 CovalentContact SG-SG 2.03Å; C166-C207 PolarHBondContact SG-SG 3.05Å
167	T	95.5	Very high	78.3	Confident	17 Å²	17	67.8 Å²	67.8	10%	0.104	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.5	177.8	-59.5	0	0	0	0	109.7	F105 T109 V119 V120 S121 M165 G204	F105-T167 HydrophobicContact CE1-CG2 4.18Å; T109-T167 HydrophobicContact CG2-CG2 4.12Å; V119-T167 HydrophobicContact CG1-CG2 3.69Å; V120-T167 CarbonylContact O-C 3.57Å; V120-T167 WeakPolarHBondContact O-CA 3.44Å; S121-T167 WeakPolarHBondContact OG-CG2 3.43Å; S121-T167 PolarHBondContact OG-OG1 3.13Å; M165-T167 PolarHBondContact O-N 3.24Å; T167-G204 WeakPolarHBondContact O-CA 3.2Å; T167-G204 PolarHBondContact O-N 2.04Å
168	V	96.5	Very high	81.1	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.8	176.5	-59.4	0	0	0	0	110.1	V120 F122 Y170 Q201 C202 I203	V120-V168 HydrophobicContact CB-CG2 3.91Å; V120-V168 PolarHBondContact N-O 3.21Å; V120-V168 PolarHBondContact O-N 3.14Å; F122-V168 HydrophobicContact CE1-CG1 4.26Å; F122-V168 HydrophobicContact CE1-CG2 4.11Å; V168-Y170 HydrophobicContact CG2-CD2 4.29Å; V168-Y170 HydrophobicContact CG2-CE2 3.58Å; V168-Q201 HydrophobicContact CB-CG 3.92Å; V168-Q201 HydrophobicContact CG1-CG 4.4Å; V168-Q201 HydrophobicContact CG2-CG 4.41Å; V168-C202 CarbonylContact C-O 3.59Å; V168-C202 WeakPolarHBondContact CA-O 3.43Å; V168-C202 WeakPolarHBondContact CB-O 3.39Å; V168-I203 HydrophobicContact CG1-CG1 4.18Å; V168-I203 HydrophobicContact CG1-CG2 4.48Å
169	V	96.6	Very high	83.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.2	177	-176.3	0	0	0	0	109	F105 T109 M117 M118 V119 M187 Q201 C202	F105-V169 HydrophobicContact CE2-CG2 4.07Å; F105-V169 HydrophobicContact CZ-CG2 3.94Å; T109-V169 HydrophobicContact CG2-CG2 3.41Å; T109-V169 VanDerWaalsContact CG2-CG2 3.41Å; M117-V169 HydrophobicContact CB-CG1 4.01Å; M117-V169 HydrophobicContact CG-CG1 4.46Å; M117-V169 HydrophobicContact SD-CG1 4.18Å; M118-V169 CarbonylContact O-C 3.53Å; M118-V169 WeakPolarHBondContact O-CA 3.38Å; V119-V169 HydrophobicContact CG2-CG2 4.29Å; V169-M187 HydrophobicContact CG1-CE 4.15Å; V169-M187 HydrophobicContact CG1-SD 4.4Å; V169-M187 HydrophobicContact CG2-CE 4.18Å; V169-Q201 CarbonylContact O-C 3.58Å; V169-Q201 WeakPolarHBondContact O-CA 3.5Å; V169-C202 HydrophobicContact CB-CB 4.36Å; V169-C202 PolarHBondContact N-O 3.07Å; V169-C202 PolarHBondContact O-N 3.23Å
170	Y	96.2	Very high	86.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.1	170.5	-62.7	-96.5	0	0	0	110	M117 M118 V120 V168 F195 C200 Q201 S212 A214 K216	M117-Y170 CarbonylContact C-O 3.6Å; M117-Y170 VanDerWaalsContact CA-O 3.26Å; M117-Y170 WeakPolarHBondContact CA-O 3.36Å; M118-Y170 PolarHBondContact N-O 2.82Å; M118-Y170 PolarHBondContact O-N 2.93Å; V120-Y170 HydrophobicContact CB-CE2 4.37Å; V120-Y170 HydrophobicContact CG2-CD2 4.1Å; V120-Y170 HydrophobicContact CG2-CE2 3.98Å; V168-Y170 HydrophobicContact CG2-CD2 4.29Å; V168-Y170 HydrophobicContact CG2-CE2 3.58Å; Y170-F195 HydrophobicContact CE1-CE2 4.12Å; Y170-C200 WeakPolarHBondContact CA-O 3.29Å; Y170-Q201 HydrophobicContact CD1-CB 4.01Å; Y170-Q201 HydrophobicContact CD1-CG 4.23Å; Y170-Q201 HydrophobicContact CE1-CB 3.98Å; Y170-Q201 HydrophobicContact CE1-CG 3.96Å; Y170-Q201 HydrophobicContact CE2-CG 4.4Å; Y170-Q201 PolarHBondContact OH-NE2 3.1Å; Y170-S212 WeakPolarHBondContact OH-CB 3.34Å; Y170-A214 WeakPolarHBondContact CE1-O 3.21Å; Y170-A214 PolarHBondContact OH-O 3.14Å; Y170-K216 HydrophobicContact CD1-CB 3.89Å; Y170-K216 HydrophobicContact CD2-CB 4.06Å; Y170-K216 HydrophobicContact CD2-CD 4.25Å; Y170-K216 HydrophobicContact CE1-CB 3.84Å; Y170-K216 HydrophobicContact CE1-CG 4.22Å; Y170-K216 HydrophobicContact CE2-CB 4.05Å; Y170-K216 HydrophobicContact CE2-CD 3.65Å; Y170-K216 HydrophobicContact CE2-CG 4.19Å; Y170-K216 HydrophobicContact CG-CB 3.95Å
171	F	95.2	Very high	88.9	Confident	19 Å²	19	60.3 Å²	60.3	8%	0.083	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.9	169	-70.8	-94.4	0	0	0	109.6	M117 D173 Y183 M187 C200 C202 C217	M117-F171 HydrophobicContact CE-CD1 4.12Å; M117-F171 HydrophobicContact CE-CE1 3.45Å; M117-F171 VanDerWaalsContact CE-CE1 3.45Å; M117-F171 HydrophobicContact CE-CZ 4.22Å; M117-F171 HydrophobicContact CG-CD1 4.09Å; M117-F171 HydrophobicContact CG-CE1 4.17Å; M117-F171 HydrophobicContact SD-CD1 4.38Å; M117-F171 HydrophobicContact SD-CE1 3.85Å; M117-F171 HydrophobicContact SD-CZ 4.24Å; F171-D173 VanDerWaalsContact C-N 3.25Å; F171-D173 PolarHBondContact O-N 2.88Å; F171-Y183 HydrophobicContact CD1-CD2 4.22Å; F171-Y183 HydrophobicContact CE1-CD2 4.01Å; F171-Y183 HydrophobicContact CE1-CG 4.29Å; F171-Y183 HydrophobicContact CE2-CD2 4.45Å; F171-Y183 HydrophobicContact CZ-CD2 4.16Å; F171-Y183 HydrophobicContact CZ-CG 4.17Å; F171-M187 HydrophobicContact CE1-SD 4.41Å; F171-M187 HydrophobicContact CE2-SD 4.19Å; F171-M187 HydrophobicContact CZ-SD 3.54Å; F171-M187 VanDerWaalsContact CZ-SD 3.54Å; F171-C200 HydrophobicContact CD2-CB 4.04Å; F171-C200 PolarHBondContact N-O 3.1Å; F171-C200 VanDerWaalsContact N-O 3.16Å; F171-C202 VanDerWaalsContact CE2-SG 3.55Å; F171-C217 WeakPolarHBondContact O-CB 2.93Å; F171-C217 PolarHBondContact O-SG 3.42Å
172	D	92.1	Very high	91.3	Very high	22 Å²	22	60.3 Å²	60.3	12%	0.118	29%	0.289	C	S	.	.	S	Bend	trans	-65.3	-35.2	-179.5	-69.8	-23.9	0	0	0	111.7	N116 L218 N219	N116-D172 WeakPolarHBondContact CA-OD2 3.46Å; N116-D172 HydrophobicContact CB-CB 4.47Å; N116-D172 PolarHBondContact O-N 2.82Å; D172-L218 HydrophobicContact CB-CB 4.32Å; D172-N219 VanDerWaalsContact O-CB 3.24Å; D172-N219 WeakPolarHBondContact O-CB 3.42Å; D172-N219 PolarHBondContact O-N 3.2Å
173	D	92.8	Very high	93.4	Very high	81 Å²	81	56.7 Å²	56.7	43%	0.433	27%	0.269	S	S	.	.	S	Bend	trans	-84.6	146.1	179.8	-67.8	-30	0	0	0	113.5	F171 N219	F171-D173 VanDerWaalsContact C-N 3.25Å; F171-D173 PolarHBondContact O-N 2.88Å; D173-N219 PolarHBondContact OD1-ND2 2.94Å
174	C	93.4	Very high	95.1	Very high	58 Å²	58	50.1 Å²	50.1	39%	0.392	24%	0.239	S	C	.	.			trans	-80.1	134.1	177.2	-48	0	0	0	0	111.6	A198 N219 C220	C174-A198 WeakPolarHBondContact CA-O 3.48Å; C174-A198 HydrophobicContact CB-CB 3.83Å; C174-N219 PolarHBondContact SG-O 3.11Å; C174-C220 WeakPolarHBondContact CA-SG 3.41Å; C174-C220 HydrophobicContact CB-CB 4.37Å; C174-C220 WeakPolarHBondContact CB-SG 3.48Å; C174-C220 WeakPolarHBondContact SG-CA 3.34Å; C174-C220 WeakPolarHBondContact SG-CB 3.07Å; C174-C220 PolarHBondContact SG-N 3.17Å; C174-C220 VanDerWaalsContact SG-N 3.41Å; C174-C220 CovalentContact SG-SG 2.05Å; C174-C220 PolarHBondContact SG-SG 3.05Å
175	V	95	Very high	95.9	Very high	12 Å²	12	46.5 Å²	46.5	7%	0.073	22%	0.224	C	C	.	.			trans	-135.1	153.9	-171.6	-62.4	0	0	0	0	110.5	Q179 C180 Y183 W194 A198 C200	V175-Q179 HydrophobicContact CB-CB 3.95Å; V175-C180 HydrophobicContact CG2-CB 3.89Å; V175-Y183 HydrophobicContact CB-CE2 4.48Å; V175-Y183 HydrophobicContact CG1-CD2 4.32Å; V175-Y183 HydrophobicContact CG1-CE2 3.69Å; V175-W194 PolarHBondContact O-NE1 3.05Å; V175-A198 PolarHBondContact N-O 3.27Å; V175-C200 HydrophobicContact CG2-CB 3.43Å; V175-C200 VanDerWaalsContact CG2-CB 3.43Å
176	S	96.6	Very high	96.1	Very high	53 Å²	53	47 Å²	47	37%	0.371	24%	0.235	S	C	.	.			trans	-64.8	155.5	168.9	65.5	0	0	0	0	110.8	R178 Q179 C180	S176-R178 PolarHBondContact O-N 2.93Å; S176-R178 VanDerWaalsContact O-N 3.15Å; S176-Q179 PolarHBondContact O-N 2.98Å; S176-Q179 WeakPolarHBondContact OG-CG 3.16Å; S176-Q179 PolarHBondContact OG-N 3.44Å; S176-Q179 PolarHBondContact OG-OE1 3.25Å; S176-C180 PolarHBondContact O-N 3.29Å
177	I	96.9	Very high	96.2	Very high	64 Å²	64	47.6 Å²	47.6	33%	0.328	24%	0.237	S	C	.	.	H	α-helix	trans	-52.3	-37.7	174.6	-171.6	171.8	0	0	0	112.6	T93 C180 K181 Y192 W194	T93-I177 HydrophobicContact CG2-CD1 3.57Å; I177-C180 PolarHBondContact O-N 2.63Å; I177-K181 PolarHBondContact O-N 2Å; I177-Y192 HydrophobicContact CG1-CE2 3.99Å; I177-W194 HydrophobicContact CB-CD2 3.86Å; I177-W194 HydrophobicContact CB-CE3 4.23Å; I177-W194 HydrophobicContact CB-CG 3.97Å; I177-W194 HydrophobicContact CD1-CE3 4.37Å; I177-W194 HydrophobicContact CG1-CB 4.08Å; I177-W194 HydrophobicContact CG1-CD2 4.26Å; I177-W194 HydrophobicContact CG1-CE3 4.48Å; I177-W194 HydrophobicContact CG1-CG 4.08Å
178	R	97.9	Very high	96.2	Very high	185 Å²	185	46.8 Å²	46.8	70%	0.698	23%	0.232	S	C	*	.	H	α-helix	trans	-66.6	-43.6	178.1	-176.9	176.9	179.7	155.7	1.6	111.9	S176 K181 Q182	S176-R178 PolarHBondContact O-N 2.93Å; S176-R178 VanDerWaalsContact O-N 3.15Å; R178-K181 PolarHBondContact O-N 3Å; R178-Q182 VanDerWaalsContact O-CG 3.3Å; R178-Q182 WeakPolarHBondContact O-CG 3.01Å; R178-Q182 PolarHBondContact O-N 2.02Å
179	Q	97.9	Very high	96.2	Very high	74 Å²	74	46.8 Å²	46.8	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-41.5	175.8	-75.9	165.7	-57.6	0	0	111	V175 S176 K181 Q182 Y183	V175-Q179 HydrophobicContact CB-CB 3.95Å; S176-Q179 PolarHBondContact O-N 2.98Å; S176-Q179 WeakPolarHBondContact OG-CG 3.16Å; S176-Q179 PolarHBondContact OG-N 3.44Å; S176-Q179 PolarHBondContact OG-OE1 3.25Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.93Å; Q179-Q182 PolarHBondContact O-N 3.41Å; Q179-Q182 VanDerWaalsContact O-N 3.16Å; Q179-Y183 HydrophobicContact CB-CE2 4.33Å; Q179-Y183 WeakPolarHBondContact O-CB 3.3Å; Q179-Y183 PolarHBondContact O-N 3.1Å
180	C	97.8	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-49.1	175.8	-175.4	0	0	0	0	111.6	V175 S176 I177 Q182 Y183 C184 C200	V175-C180 HydrophobicContact CG2-CB 3.89Å; S176-C180 PolarHBondContact O-N 3.29Å; I177-C180 PolarHBondContact O-N 2.63Å; C180-Q182 PolarHBondContact O-N 3.06Å; C180-Y183 PolarHBondContact O-N 2.92Å; C180-C184 PolarHBondContact O-N 3.46Å; C180-C184 PolarHBondContact O-SG 2.95Å; C180-C200 WeakPolarHBondContact CA-SG 3.47Å; C180-C200 HydrophobicContact CB-CB 3.69Å; C180-C200 WeakPolarHBondContact CB-SG 3.2Å; C180-C200 VanDerWaalsContact SG-CA 3.54Å; C180-C200 WeakPolarHBondContact SG-CB 3.4Å; C180-C200 CovalentContact SG-SG 2.04Å; C180-C200 PolarHBondContact SG-SG 3.24Å
181	K	98.3	Very high	96.4	Very high	63 Å²	63	48.7 Å²	48.7	27%	0.274	24%	0.243	S	C	.	.	H	α-helix	trans	-55	-51.6	173.8	177.6	170.3	179	164.2	0	112	E95 L97 I177 R178 Q179 Y183 C184 E185 Y192	E95-K181 IonicContact OE1-NZ 3.81Å; E95-K181 PolarHBondContact OE1-NZ 3.06Å; E95-K181 IonicContact OE2-NZ 3.13Å; L97-K181 HydrophobicContact CD2-CG 3.97Å; I177-K181 PolarHBondContact O-N 2Å; R178-K181 PolarHBondContact O-N 3Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.93Å; K181-Y183 VanDerWaalsContact C-N 3.31Å; K181-Y183 PolarHBondContact O-N 3.27Å; K181-C184 PolarHBondContact O-N 3.24Å; K181-E185 WeakPolarHBondContact CE-OE1 3.18Å; K181-E185 HydrophobicContact CG-CG 4.37Å; K181-E185 WeakPolarHBondContact O-CB 3.45Å; K181-E185 WeakPolarHBondContact O-CG 2.97Å; K181-E185 PolarHBondContact O-N 2.96Å; K181-Y192 HydrophobicContact CB-CD1 4.22Å; K181-Y192 HydrophobicContact CB-CE1 3.71Å; K181-Y192 HydrophobicContact CD-CE1 4.05Å; K181-Y192 HydrophobicContact CG-CD1 4.38Å; K181-Y192 HydrophobicContact CG-CE1 3.83Å
182	Q	97.8	Very high	96.5	Very high	92 Å²	92	48.1 Å²	48.1	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-40.4	-179.5	-73.4	174.7	-30.2	0	0	112.5	R178 Q179 C180 S186	R178-Q182 VanDerWaalsContact O-CG 3.3Å; R178-Q182 WeakPolarHBondContact O-CG 3.01Å; R178-Q182 PolarHBondContact O-N 2.02Å; Q179-Q182 PolarHBondContact O-N 3.41Å; Q179-Q182 VanDerWaalsContact O-N 3.16Å; C180-Q182 PolarHBondContact O-N 3.06Å; Q182-S186 WeakPolarHBondContact O-CB 3.31Å; Q182-S186 PolarHBondContact O-N 3.49Å; Q182-S186 PolarHBondContact O-OG 2.91Å
183	Y	96.6	Very high	96.7	Very high	87 Å²	87	47.8 Å²	47.8	34%	0.341	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-47.7	177.5	-65.7	-17.5	0	0	0	111.2	F171 V175 Q179 C180 K181 E185 S186 M187	F171-Y183 HydrophobicContact CD1-CD2 4.22Å; F171-Y183 HydrophobicContact CE1-CD2 4.01Å; F171-Y183 HydrophobicContact CE1-CG 4.29Å; F171-Y183 HydrophobicContact CE2-CD2 4.45Å; F171-Y183 HydrophobicContact CZ-CD2 4.16Å; F171-Y183 HydrophobicContact CZ-CG 4.17Å; V175-Y183 HydrophobicContact CB-CE2 4.48Å; V175-Y183 HydrophobicContact CG1-CD2 4.32Å; V175-Y183 HydrophobicContact CG1-CE2 3.69Å; Q179-Y183 HydrophobicContact CB-CE2 4.33Å; Q179-Y183 WeakPolarHBondContact O-CB 3.3Å; Q179-Y183 PolarHBondContact O-N 3.1Å; C180-Y183 PolarHBondContact O-N 2.92Å; K181-Y183 VanDerWaalsContact C-N 3.31Å; K181-Y183 PolarHBondContact O-N 3.27Å; Y183-E185 PolarHBondContact O-N 3.33Å; Y183-S186 WeakPolarHBondContact CA-OG 3.36Å; Y183-S186 PolarHBondContact O-N 2.88Å; Y183-S186 VanDerWaalsContact O-N 3.13Å; Y183-S186 PolarHBondContact O-OG 3Å; Y183-M187 WeakPolarHBondContact O-CG 3.49Å; Y183-M187 PolarHBondContact O-N 3.45Å
184	C	97.8	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-37.8	178.1	-60.3	0	0	0	0	113.1	L97 C180 K181 M187 G188 G189 Y192 C202	L97-C184 HydrophobicContact CD1-CB 3.7Å; C180-C184 PolarHBondContact O-N 3.46Å; C180-C184 PolarHBondContact O-SG 2.95Å; K181-C184 PolarHBondContact O-N 3.24Å; C184-M187 PolarHBondContact O-N 3.43Å; C184-G188 PolarHBondContact O-N 2.92Å; C184-G189 PolarHBondContact O-N 3.44Å; C184-Y192 WeakPolarHBondContact SG-CB 3.16Å; C184-C202 WeakPolarHBondContact CA-SG 3.35Å; C184-C202 HydrophobicContact CB-CB 3.78Å; C184-C202 WeakPolarHBondContact CB-SG 3.42Å; C184-C202 WeakPolarHBondContact SG-CA 3.38Å; C184-C202 WeakPolarHBondContact SG-CB 3.14Å; C184-C202 CovalentContact SG-SG 2.03Å; C184-C202 PolarHBondContact SG-SG 3.31Å
185	E	97.6	Very high	97	Very high	81 Å²	81	43.3 Å²	43.3	38%	0.379	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-45.7	171.1	-73.8	175.7	160.8	0	0	111.1	L97 K181 Y183 M187 G188	L97-E185 HydrophobicContact CD1-CG 4.06Å; L97-E185 HydrophobicContact CD2-CG 3.67Å; L97-E185 HydrophobicContact CG-CG 4.31Å; K181-E185 WeakPolarHBondContact CE-OE1 3.18Å; K181-E185 HydrophobicContact CG-CG 4.37Å; K181-E185 WeakPolarHBondContact O-CB 3.45Å; K181-E185 WeakPolarHBondContact O-CG 2.97Å; K181-E185 PolarHBondContact O-N 2.96Å; Y183-E185 PolarHBondContact O-N 3.33Å; E185-M187 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 2.95Å; E185-G188 PolarHBondContact O-N 2.99Å; E185-G188 VanDerWaalsContact O-N 3.07Å
186	S	95.9	Very high	96.8	Very high	80 Å²	80	47.2 Å²	47.2	56%	0.559	22%	0.223	S	C	*	.	H	α-helix	trans	-67.5	-28.3	-179.6	73.7	0	0	0	0	113.8	L104 Q182 Y183 G188	L104-S186 WeakPolarHBondContact CD2-O 3.49Å; Q182-S186 WeakPolarHBondContact O-CB 3.31Å; Q182-S186 PolarHBondContact O-N 3.49Å; Q182-S186 PolarHBondContact O-OG 2.91Å; Y183-S186 WeakPolarHBondContact CA-OG 3.36Å; Y183-S186 PolarHBondContact O-N 2.88Å; Y183-S186 VanDerWaalsContact O-N 3.13Å; Y183-S186 PolarHBondContact O-OG 3Å; S186-G188 VanDerWaalsContact C-N 3.28Å
187	M	95.1	Very high	96.5	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.054	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.1	174	-68.3	-170.1	74.4	0	0	113	F105 L108 M117 V169 F171 Y183 C184 E185 G189	F105-M187 WeakPolarHBondContact CA-O 3.25Å; F105-M187 PolarHBondContact N-O 3.42Å; L108-M187 HydrophobicContact CB-CE 4.21Å; L108-M187 HydrophobicContact CD1-CB 4.2Å; L108-M187 HydrophobicContact CD1-CE 4.39Å; L108-M187 HydrophobicContact CD1-CG 4.28Å; M117-M187 HydrophobicContact SD-CE 3.97Å; M117-M187 HydrophobicContact SD-SD 4.04Å; V169-M187 HydrophobicContact CG1-CE 4.15Å; V169-M187 HydrophobicContact CG1-SD 4.4Å; V169-M187 HydrophobicContact CG2-CE 4.18Å; F171-M187 HydrophobicContact CE1-SD 4.41Å; F171-M187 HydrophobicContact CE2-SD 4.19Å; F171-M187 HydrophobicContact CZ-SD 3.54Å; F171-M187 VanDerWaalsContact CZ-SD 3.54Å; Y183-M187 WeakPolarHBondContact O-CG 3.49Å; Y183-M187 PolarHBondContact O-N 3.45Å; C184-M187 PolarHBondContact O-N 3.43Å; E185-M187 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 2.95Å; M187-G189 VanDerWaalsContact C-N 3.34Å
188	G	96.6	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	16.5	-177.8	0	0	0	0	0	114.6	I101 C184 E185 S186	I101-G188 CarbonylContact C-O 3.47Å; I101-G188 VanDerWaalsContact C-O 3.3Å; I101-G188 PolarHBondContact N-O 2.79Å; C184-G188 PolarHBondContact O-N 2.92Å; E185-G188 PolarHBondContact O-N 2.99Å; E185-G188 VanDerWaalsContact O-N 3.07Å; S186-G188 VanDerWaalsContact C-N 3.28Å
189	G	96.8	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.			trans	-60.5	156.5	177.9	0	0	0	0	0	112.8	L97 P100 C184 M187	L97-G189 WeakPolarHBondContact CD1-O 3.47Å; P100-G189 WeakPolarHBondContact CB-O 3.12Å; C184-G189 PolarHBondContact O-N 3.44Å; M187-G189 VanDerWaalsContact C-N 3.34Å
190	S	97.5	Very high	96.2	Very high	15 Å²	15	31.6 Å²	31.6	11%	0.105	16%	0.156	C	C	.	.	S	Bend	trans	-89.5	-34.5	179.1	-65.1	0	0	0	0	113	L97 I203 P205	L97-S190 WeakPolarHBondContact CB-O 3.5Å; L97-S190 PolarHBondContact N-O 3.45Å; S190-I203 PolarHBondContact N-O 3.37Å; S190-P205 VanDerWaalsContact OG-CA 3.29Å; S190-P205 WeakPolarHBondContact OG-CA 3.42Å; S190-P205 WeakPolarHBondContact OG-CB 2.98Å
191	K	98.1	Very high	96.2	Very high	26 Å²	26	31.6 Å²	31.6	11%	0.113	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	166.5	-178.9	-48.8	163.8	-168.9	160.6	0	108.3	E95 E96 I203 C207 L208 D209 Y210	E95-K191 WeakPolarHBondContact O-CA 3Å; E95-K191 WeakPolarHBondContact O-CB 3.31Å; E96-K191 HydrophobicContact CB-CG 4.47Å; E96-K191 HydrophobicContact CG-CG 4.34Å; K191-I203 HydrophobicContact CB-CB 4Å; K191-I203 HydrophobicContact CB-CD1 3.94Å; K191-I203 HydrophobicContact CB-CG2 4.3Å; K191-I203 HydrophobicContact CD-CG2 4.37Å; K191-I203 PolarHBondContact N-O 3.4Å; K191-I203 PolarHBondContact O-N 3.17Å; K191-C207 PolarHBondContact NZ-O 3.02Å; K191-L208 PolarHBondContact NZ-O 3.38Å; K191-D209 WeakPolarHBondContact CD-O 3.26Å; K191-D209 PolarHBondContact NZ-O 3.4Å; K191-Y210 HydrophobicContact CB-CD1 3.92Å; K191-Y210 HydrophobicContact CB-CE1 4.14Å; K191-Y210 HydrophobicContact CD-CD1 3.95Å; K191-Y210 HydrophobicContact CD-CE1 4.1Å; K191-Y210 HydrophobicContact CG-CD1 4.34Å; K191-Y210 HydrophobicContact CG-CE1 4.3Å
192	Y	98	Very high	96.1	Very high	6 Å²	6	28.6 Å²	28.6	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.2	165.3	76.6	-88.7	0	0	0	111.3	V94 E95 L97 I177 K181 C184 W194 Q201	V94-Y192 WeakPolarHBondContact CA-O 3.26Å; E95-Y192 HydrophobicContact CB-CD1 4.12Å; E95-Y192 HydrophobicContact CB-CE1 3.44Å; E95-Y192 VanDerWaalsContact CB-CE1 3.44Å; E95-Y192 HydrophobicContact CG-CE1 3.93Å; E95-Y192 PolarHBondContact N-O 3.25Å; E95-Y192 VanDerWaalsContact N-O 3.17Å; E95-Y192 PolarHBondContact O-N 3.12Å; E95-Y192 VanDerWaalsContact OE2-CE1 3.3Å; E95-Y192 WeakPolarHBondContact OE2-CE1 3.17Å; E95-Y192 PolarHBondContact OE2-OH 3.44Å; L97-Y192 HydrophobicContact CD2-CD1 3.64Å; L97-Y192 HydrophobicContact CD2-CE1 4.01Å; L97-Y192 HydrophobicContact CG-CD1 4.24Å; I177-Y192 HydrophobicContact CG1-CE2 3.99Å; K181-Y192 HydrophobicContact CB-CD1 4.22Å; K181-Y192 HydrophobicContact CB-CE1 3.71Å; K181-Y192 HydrophobicContact CD-CE1 4.05Å; K181-Y192 HydrophobicContact CG-CD1 4.38Å; K181-Y192 HydrophobicContact CG-CE1 3.83Å; C184-Y192 WeakPolarHBondContact SG-CB 3.16Å; Y192-W194 HydrophobicContact CD2-CB 4.24Å; Y192-W194 HydrophobicContact CE2-CB 4.1Å; Y192-Q201 CarbonylContact C-O 3.52Å; Y192-Q201 WeakPolarHBondContact CA-O 3.25Å
193	R	97.2	Very high	96.1	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.06	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.8	167.4	177.6	-174.8	-61.6	-88.7	5.9	108	S92 T93 V94 F195 Q201 I203 Y210	S92-R193 PolarHBondContact OG-NH1 3.34Å; T93-R193 WeakPolarHBondContact O-CA 3.29Å; V94-R193 HydrophobicContact CG1-CB 4.02Å; V94-R193 HydrophobicContact CG1-CG 3.9Å; R193-F195 HydrophobicContact CG-CD2 4.31Å; R193-F195 HydrophobicContact CG-CE1 4.37Å; R193-F195 HydrophobicContact CG-CE2 4.02Å; R193-F195 HydrophobicContact CG-CZ 4.07Å; R193-Q201 HydrophobicContact CB-CB 4.27Å; R193-Q201 PolarHBondContact N-O 3.39Å; R193-Q201 PolarHBondContact O-N 3.28Å; R193-I203 HydrophobicContact CB-CD1 4.05Å; R193-Y210 PolarHBondContact NE-O 2.94Å; R193-Y210 VanDerWaalsContact NH2-CB 3.29Å; R193-Y210 PolarHBondContact NH2-O 3.45Å
194	W	96.9	Very high	96.2	Very high	44 Å²	44	20.1 Å²	20.1	17%	0.167	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.8	172	-177.9	79.1	0	0	0	108.8	S92 T93 V175 I177 Y192 H196 A198	S92-W194 CarbonylContact C-O 3.3Å; S92-W194 WeakPolarHBondContact CA-O 3.47Å; S92-W194 WeakPolarHBondContact CB-O 3.25Å; T93-W194 PolarHBondContact N-O 3.5Å; T93-W194 PolarHBondContact O-N 3.07Å; V175-W194 PolarHBondContact O-NE1 3.05Å; I177-W194 HydrophobicContact CB-CD2 3.86Å; I177-W194 HydrophobicContact CB-CE3 4.23Å; I177-W194 HydrophobicContact CB-CG 3.97Å; I177-W194 HydrophobicContact CD1-CE3 4.37Å; I177-W194 HydrophobicContact CG1-CB 4.08Å; I177-W194 HydrophobicContact CG1-CD2 4.26Å; I177-W194 HydrophobicContact CG1-CE3 4.48Å; I177-W194 HydrophobicContact CG1-CG 4.08Å; Y192-W194 HydrophobicContact CD2-CB 4.24Å; Y192-W194 HydrophobicContact CE2-CB 4.1Å; W194-H196 AromaticContact CE3-CD2 3.75Å; W194-H196 HydrophobicContact CZ3-CB 4.47Å; W194-H196 AromaticContact CZ3-CD2 3.47Å; W194-H196 VanDerWaalsContact CZ3-CD2 3.47Å; W194-H196 WeakPolarHBondContact CZ3-CD2 3.5Å; W194-A198 HydrophobicContact CZ2-CB 4.15Å
195	F	94.3	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	146.5	175.7	-63.7	-88.3	0	0	0	109.9	Y170 R193 N197 A198 C199 Q201 K213 A214 V215	Y170-F195 HydrophobicContact CE1-CE2 4.12Å; R193-F195 HydrophobicContact CG-CD2 4.31Å; R193-F195 HydrophobicContact CG-CE1 4.37Å; R193-F195 HydrophobicContact CG-CE2 4.02Å; R193-F195 HydrophobicContact CG-CZ 4.07Å; F195-N197 WeakPolarHBondContact CB-OD1 3.3Å; F195-N197 PolarHBondContact O-N 2.96Å; F195-A198 WeakPolarHBondContact O-CA 3.49Å; F195-A198 PolarHBondContact O-N 3.36Å; F195-C199 HydrophobicContact CB-CB 4.07Å; F195-C199 HydrophobicContact CD2-CB 3.98Å; F195-C199 HydrophobicContact CG-CB 4.41Å; F195-C199 PolarHBondContact N-O 2.89Å; F195-Q201 HydrophobicContact CE2-CB 4.18Å; F195-K213 WeakPolarHBondContact CE1-O 3.41Å; F195-A214 WeakPolarHBondContact CZ-O 3.06Å; F195-V215 HydrophobicContact CB-CG2 4.08Å; F195-V215 HydrophobicContact CD1-CG2 3.44Å; F195-V215 VanDerWaalsContact CD1-CG2 3.44Å; F195-V215 HydrophobicContact CD2-CG2 4.22Å; F195-V215 HydrophobicContact CE1-CG2 3.79Å; F195-V215 HydrophobicContact CG-CG2 3.66Å; F195-V215 HydrophobicContact CZ-CG2 4.31Å
196	H	92	Very high	95.9	Very high	94 Å²	94	20.2 Å²	20.2	44%	0.435	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.2	-176.3	-69.1	-171.5	0	0	0	113.1	K91 T93 W194 A198	K91-H196 HydrophobicContact CB-CB 4.36Å; K91-H196 WeakPolarHBondContact CB-ND1 3.49Å; K91-H196 WeakPolarHBondContact O-CB 2.99Å; K91-H196 PolarHBondContact O-CD2 3.05Å; K91-H196 PolarHBondContact O-N 3.42Å; T93-H196 PolarHBondContact OG1-NE2 3.4Å; W194-H196 AromaticContact CE3-CD2 3.75Å; W194-H196 HydrophobicContact CZ3-CB 4.47Å; W194-H196 AromaticContact CZ3-CD2 3.47Å; W194-H196 VanDerWaalsContact CZ3-CD2 3.47Å; W194-H196 WeakPolarHBondContact CZ3-CD2 3.5Å; H196-A198 VanDerWaalsContact C-N 3.28Å
197	N	90.3	Very high	95.8	Very high	23 Å²	23	16.7 Å²	16.7	12%	0.123	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	16.6	165.8	83	-32.1	0	0	0	113.8	T89 F195 C199 V215 C220 L221	T89-N197 HydrophobicContact CG2-CB 4.14Å; F195-N197 WeakPolarHBondContact CB-OD1 3.3Å; F195-N197 PolarHBondContact O-N 2.96Å; N197-C199 VanDerWaalsContact C-N 3.26Å; N197-C199 PolarHBondContact O-N 2.04Å; N197-C199 WeakPolarHBondContact OD1-CB 3.35Å; N197-C199 PolarHBondContact OD1-N 2.96Å; N197-V215 WeakPolarHBondContact ND2-CG1 3.25Å; N197-C220 WeakPolarHBondContact O-CB 3.42Å; N197-L221 WeakPolarHBondContact CB-O 3.46Å; N197-L221 PolarHBondContact ND2-O 3.38Å; N197-L221 VanDerWaalsContact ND2-O 3.08Å
198	A	93.6	Very high	95.6	Very high	26 Å²	26	21.8 Å²	21.8	22%	0.215	11%	0.112	C	C	.	.	S	Bend	trans	68.8	11.5	-179.9	0	0	0	0	0	116.3	C174 V175 W194 F195 H196	C174-A198 WeakPolarHBondContact CA-O 3.48Å; C174-A198 HydrophobicContact CB-CB 3.83Å; V175-A198 PolarHBondContact N-O 3.27Å; W194-A198 HydrophobicContact CZ2-CB 4.15Å; F195-A198 WeakPolarHBondContact O-CA 3.49Å; F195-A198 PolarHBondContact O-N 3.36Å; H196-A198 VanDerWaalsContact C-N 3.28Å
199	C	95.1	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.			trans	-73.4	132.4	169.9	175.7	0	0	0	0	111.2	F195 N197 V215 C217 C220	F195-C199 HydrophobicContact CB-CB 4.07Å; F195-C199 HydrophobicContact CD2-CB 3.98Å; F195-C199 HydrophobicContact CG-CB 4.41Å; F195-C199 PolarHBondContact N-O 2.89Å; N197-C199 VanDerWaalsContact C-N 3.26Å; N197-C199 PolarHBondContact O-N 2.04Å; N197-C199 WeakPolarHBondContact OD1-CB 3.35Å; N197-C199 PolarHBondContact OD1-N 2.96Å; C199-V215 HydrophobicContact CB-CG1 3.84Å; C199-C217 WeakPolarHBondContact CA-SG 3.44Å; C199-C217 HydrophobicContact CB-CB 3.63Å; C199-C217 WeakPolarHBondContact CB-SG 3.3Å; C199-C217 WeakPolarHBondContact SG-CB 3.14Å; C199-C217 PolarHBondContact SG-N 3.27Å; C199-C217 VanDerWaalsContact SG-N 3.44Å; C199-C217 CovalentContact SG-SG 2.02Å; C199-C217 PolarHBondContact SG-SG 3.24Å; C199-C220 HydrophobicContact CB-CB 4.45Å
200	C	96.8	Very high	95.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.6	178.8	-179.1	0	0	0	0	111.6	Y170 F171 V175 C180 C217	Y170-C200 WeakPolarHBondContact CA-O 3.29Å; F171-C200 HydrophobicContact CD2-CB 4.04Å; F171-C200 PolarHBondContact N-O 3.1Å; F171-C200 VanDerWaalsContact N-O 3.16Å; V175-C200 HydrophobicContact CG2-CB 3.43Å; V175-C200 VanDerWaalsContact CG2-CB 3.43Å; C180-C200 WeakPolarHBondContact CA-SG 3.47Å; C180-C200 HydrophobicContact CB-CB 3.69Å; C180-C200 WeakPolarHBondContact CB-SG 3.2Å; C180-C200 VanDerWaalsContact SG-CA 3.54Å; C180-C200 WeakPolarHBondContact SG-CB 3.4Å; C180-C200 CovalentContact SG-SG 2.04Å; C180-C200 PolarHBondContact SG-SG 3.24Å; C200-C217 PolarHBondContact N-SG 3.37Å; C200-C217 VanDerWaalsContact N-SG 3.44Å
201	Q	97.3	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.3	174.4	-179.1	-167.3	51.8	0	0	110	V168 V169 Y170 Y192 R193 F195 I203 Y210 S212	V168-Q201 HydrophobicContact CB-CG 3.92Å; V168-Q201 HydrophobicContact CG1-CG 4.4Å; V168-Q201 HydrophobicContact CG2-CG 4.41Å; V169-Q201 CarbonylContact O-C 3.58Å; V169-Q201 WeakPolarHBondContact O-CA 3.5Å; Y170-Q201 HydrophobicContact CD1-CB 4.01Å; Y170-Q201 HydrophobicContact CD1-CG 4.23Å; Y170-Q201 HydrophobicContact CE1-CB 3.98Å; Y170-Q201 HydrophobicContact CE1-CG 3.96Å; Y170-Q201 HydrophobicContact CE2-CG 4.4Å; Y170-Q201 PolarHBondContact OH-NE2 3.1Å; Y192-Q201 CarbonylContact C-O 3.52Å; Y192-Q201 WeakPolarHBondContact CA-O 3.25Å; R193-Q201 HydrophobicContact CB-CB 4.27Å; R193-Q201 PolarHBondContact N-O 3.39Å; R193-Q201 PolarHBondContact O-N 3.28Å; F195-Q201 HydrophobicContact CE2-CB 4.18Å; Q201-I203 HydrophobicContact CG-CG1 4.29Å; Q201-Y210 PolarHBondContact OE1-O 3.48Å; Q201-S212 PolarHBondContact NE2-O 2.01Å; Q201-S212 VanDerWaalsContact NE2-O 3.13Å; Q201-S212 PolarHBondContact OE1-O 3.29Å
202	C	97.8	Very high	94.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.7	167.4	-56	0	0	0	0	110.5	F105 V168 V169 F171 C184	F105-C202 HydrophobicContact CE2-CB 4.07Å; V168-C202 CarbonylContact C-O 3.59Å; V168-C202 WeakPolarHBondContact CA-O 3.43Å; V168-C202 WeakPolarHBondContact CB-O 3.39Å; V169-C202 HydrophobicContact CB-CB 4.36Å; V169-C202 PolarHBondContact N-O 3.07Å; V169-C202 PolarHBondContact O-N 3.23Å; F171-C202 VanDerWaalsContact CE2-SG 3.55Å; C184-C202 WeakPolarHBondContact CA-SG 3.35Å; C184-C202 HydrophobicContact CB-CB 3.78Å; C184-C202 WeakPolarHBondContact CB-SG 3.42Å; C184-C202 WeakPolarHBondContact SG-CA 3.38Å; C184-C202 WeakPolarHBondContact SG-CB 3.14Å; C184-C202 CovalentContact SG-SG 2.03Å; C184-C202 PolarHBondContact SG-SG 3.31Å
203	I	97.9	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.9	-170.6	-61.3	148.7	0	0	0	108.9	V168 S190 K191 R193 Q201 C207 Y210	V168-I203 HydrophobicContact CG1-CG1 4.18Å; V168-I203 HydrophobicContact CG1-CG2 4.48Å; S190-I203 PolarHBondContact N-O 3.37Å; K191-I203 HydrophobicContact CB-CB 4Å; K191-I203 HydrophobicContact CB-CD1 3.94Å; K191-I203 HydrophobicContact CB-CG2 4.3Å; K191-I203 HydrophobicContact CD-CG2 4.37Å; K191-I203 PolarHBondContact N-O 3.4Å; K191-I203 PolarHBondContact O-N 3.17Å; R193-I203 HydrophobicContact CB-CD1 4.05Å; Q201-I203 HydrophobicContact CG-CG1 4.29Å; I203-C207 HydrophobicContact CG2-CB 3.52Å; I203-Y210 VanDerWaalsContact CD1-C 3.43Å; I203-Y210 HydrophobicContact CD1-CD1 4.31Å; I203-Y210 WeakPolarHBondContact CD1-O 3.43Å
204	G	96.6	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.			trans	-72.5	166.1	-179.3	0	0	0	0	0	114	T167 E206 C207	T167-G204 WeakPolarHBondContact O-CA 3.2Å; T167-G204 PolarHBondContact O-N 2.04Å; G204-E206 PolarHBondContact O-N 3.18Å; G204-C207 PolarHBondContact O-N 3.4Å
205	P	95.3	Very high	93.1	Very high	41 Å²	41	31.2 Å²	31.2	27%	0.266	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.1	-178.8	23.5	-29.3	0	0	0	114.4	P102 S190	P102-P205 HydrophobicContact CB-CB 4.2Å; P102-P205 HydrophobicContact CB-CG 3.8Å; P102-P205 HydrophobicContact CG-CB 4.23Å; P102-P205 HydrophobicContact CG-CG 4.33Å; S190-P205 VanDerWaalsContact OG-CA 3.29Å; S190-P205 WeakPolarHBondContact OG-CA 3.42Å; S190-P205 WeakPolarHBondContact OG-CB 2.98Å
206	E	94.1	Very high	92.9	Very high	43 Å²	43	35.3 Å²	35.3	20%	0.201	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.9	-179.4	-64.4	71.7	-155.2	0	0	113.6	R106 V124 M165 G204	R106-E206 IonicContact CZ-OE1 2.68Å; R106-E206 IonicContact NE-OE1 3.89Å; R106-E206 PolarHBondContact NE-OE1 2.91Å; R106-E206 IonicContact NH2-OE1 2.77Å; R106-E206 PolarHBondContact NH2-OE1 3.2Å; V124-E206 VanDerWaalsContact CG2-O 3.25Å; V124-E206 WeakPolarHBondContact CG2-O 3.31Å; M165-E206 WeakPolarHBondContact O-CB 3.03Å; G204-E206 PolarHBondContact O-N 3.18Å
207	C	93.7	Very high	92.9	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	17%	0.168	C	C	.	.			trans	-76.1	135.3	-179.8	-53.4	0	0	0	0	111.3	C166 K191 I203 G204	C166-C207 WeakPolarHBondContact CA-SG 3.03Å; C166-C207 HydrophobicContact CB-CB 3.93Å; C166-C207 WeakPolarHBondContact CB-SG 3Å; C166-C207 WeakPolarHBondContact SG-CB 3.37Å; C166-C207 CovalentContact SG-SG 2.03Å; C166-C207 PolarHBondContact SG-SG 3.05Å; K191-C207 PolarHBondContact NZ-O 3.02Å; I203-C207 HydrophobicContact CG2-CB 3.52Å; G204-C207 PolarHBondContact O-N 3.4Å
208	L	91.1	Very high	92.7	Very high	118 Å²	118	36.3 Å²	36.3	62%	0.618	19%	0.194	S	C	*	.	S	Bend	trans	-77.4	-45.1	-177.7	-69.6	176.3	0	0	0	111.3	V124 E127 F128 K191	V124-L208 HydrophobicContact CG1-CB 4.45Å; V124-L208 HydrophobicContact CG1-CD1 3.3Å; V124-L208 HydrophobicContact CG1-CG 3.49Å; V124-L208 VanDerWaalsContact CG1-CG 3.49Å; E127-L208 WeakPolarHBondContact OE2-CA 3.43Å; E127-L208 WeakPolarHBondContact OE2-CB 3.42Å; E127-L208 PolarHBondContact OE2-N 2.78Å; F128-L208 HydrophobicContact CE2-CB 3.84Å; F128-L208 HydrophobicContact CE2-CD1 3.78Å; F128-L208 HydrophobicContact CE2-CG 4.42Å; F128-L208 HydrophobicContact CZ-CB 3.82Å; F128-L208 HydrophobicContact CZ-CD1 4.41Å; K191-L208 PolarHBondContact NZ-O 3.38Å
209	D	90.7	Very high	92.3	Very high	53 Å²	53	40 Å²	40	28%	0.283	21%	0.21	S	C	.	.	S	Bend	trans	-107.3	-136.6	179.1	-170.1	39.5	0	0	0	110.7	E127 F128 K191	E127-D209 HydrophobicContact CG-CB 4.31Å; E127-D209 WeakPolarHBondContact OE1-CA 3.27Å; E127-D209 WeakPolarHBondContact OE1-CB 3.5Å; E127-D209 PolarHBondContact OE1-N 2.85Å; E127-D209 PolarHBondContact OE2-N 3.24Å; F128-D209 HydrophobicContact CE1-CB 4.06Å; F128-D209 HydrophobicContact CZ-CB 4Å; K191-D209 WeakPolarHBondContact CD-O 3.26Å; K191-D209 PolarHBondContact NZ-O 3.4Å
210	Y	92.7	Very high	91.8	Very high	60 Å²	60	40.4 Å²	40.4	24%	0.235	21%	0.213	C	C	.	.	S	Bend	trans	-106.3	40.8	-176.7	-65.7	-81.4	0	0	0	112.3	V94 E127 K191 R193 Q201 I203	V94-Y210 HydrophobicContact CB-CD1 3.51Å; V94-Y210 HydrophobicContact CB-CD2 3.99Å; V94-Y210 HydrophobicContact CB-CE1 3.72Å; V94-Y210 HydrophobicContact CB-CE2 4.2Å; V94-Y210 HydrophobicContact CB-CG 3.63Å; V94-Y210 HydrophobicContact CG1-CD1 4.05Å; V94-Y210 HydrophobicContact CG1-CD2 4.28Å; V94-Y210 HydrophobicContact CG1-CG 3.79Å; V94-Y210 HydrophobicContact CG2-CD1 4.13Å; V94-Y210 HydrophobicContact CG2-CD2 3.79Å; V94-Y210 HydrophobicContact CG2-CE1 4.02Å; V94-Y210 HydrophobicContact CG2-CE2 3.7Å; V94-Y210 HydrophobicContact CG2-CG 3.99Å; E127-Y210 PolarHBondContact OE1-N 3.46Å; K191-Y210 HydrophobicContact CB-CD1 3.92Å; K191-Y210 HydrophobicContact CB-CE1 4.14Å; K191-Y210 HydrophobicContact CD-CD1 3.95Å; K191-Y210 HydrophobicContact CD-CE1 4.1Å; K191-Y210 HydrophobicContact CG-CD1 4.34Å; K191-Y210 HydrophobicContact CG-CE1 4.3Å; R193-Y210 PolarHBondContact NE-O 2.94Å; R193-Y210 VanDerWaalsContact NH2-CB 3.29Å; R193-Y210 PolarHBondContact NH2-O 3.45Å; Q201-Y210 PolarHBondContact OE1-O 3.48Å; I203-Y210 VanDerWaalsContact CD1-C 3.43Å; I203-Y210 HydrophobicContact CD1-CD1 4.31Å; I203-Y210 WeakPolarHBondContact CD1-O 3.43Å
211	G	91.7	Very high	90.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	63.1	-159	175.8	0	0	0	0	0	113.7	E127 K213	E127-G211 WeakPolarHBondContact OE1-CA 3.46Å; E127-G211 PolarHBondContact OE1-N 3.3Å; G211-K213 PolarHBondContact O-N 3.44Å
212	S	88.9	Confident	88.7	Confident	19 Å²	19	58.6 Å²	58.6	13%	0.133	30%	0.299	C	S	.	.			trans	-68.2	134.3	-177.9	178.9	0	0	0	0	112	Y170 Q201 A214	Y170-S212 WeakPolarHBondContact OH-CB 3.34Å; Q201-S212 PolarHBondContact NE2-O 2.01Å; Q201-S212 VanDerWaalsContact NE2-O 3.13Å; Q201-S212 PolarHBondContact OE1-O 3.29Å; S212-A214 PolarHBondContact O-N 3.34Å; S212-A214 PolarHBondContact OG-N 3.04Å
213	K	87.9	Confident	88.2	Confident	97 Å²	97	61.6 Å²	61.6	42%	0.422	31%	0.314	S	S	.	.	S	Bend	trans	-79.5	0.7	174	-60.8	177	-175.2	173.5	0	113.1	F195 G211	F195-K213 WeakPolarHBondContact CE1-O 3.41Å; G211-K213 PolarHBondContact O-N 3.44Å
214	A	87.3	Confident	87.7	Confident	38 Å²	38	64.8 Å²	64.8	31%	0.314	33%	0.33	S	S	.	.	S	Bend	trans	-91.4	133.3	177.7	0	0	0	0	0	111.3	Y170 F195 S212	Y170-A214 WeakPolarHBondContact CE1-O 3.21Å; Y170-A214 PolarHBondContact OH-O 3.14Å; F195-A214 WeakPolarHBondContact CZ-O 3.06Å; S212-A214 PolarHBondContact O-N 3.34Å; S212-A214 PolarHBondContact OG-N 3.04Å
215	V	89.6	Confident	87.2	Confident	39 Å²	39	68.4 Å²	68.4	24%	0.236	35%	0.349	C	S	.	.			trans	-73.2	130.1	170.6	179.5	0	0	0	0	108.9	F195 N197 C199	F195-V215 HydrophobicContact CB-CG2 4.08Å; F195-V215 HydrophobicContact CD1-CG2 3.44Å; F195-V215 VanDerWaalsContact CD1-CG2 3.44Å; F195-V215 HydrophobicContact CD2-CG2 4.22Å; F195-V215 HydrophobicContact CE1-CG2 3.79Å; F195-V215 HydrophobicContact CG-CG2 3.66Å; F195-V215 HydrophobicContact CZ-CG2 4.31Å; N197-V215 WeakPolarHBondContact ND2-CG1 3.25Å; C199-V215 HydrophobicContact CB-CG1 3.84Å
216	K	91.1	Very high	86.7	Confident	85 Å²	85	70 Å²	70	37%	0.37	35%	0.353	S	S	.	.			trans	-132.3	1.2	178.6	-65.2	-177.8	-178.8	-83.8	0	115.2	M118 V120 Y170	M118-K216 HydrophobicContact SD-CB 4.22Å; M118-K216 HydrophobicContact SD-CD 4.33Å; V120-K216 HydrophobicContact CG2-CD 4.09Å; Y170-K216 HydrophobicContact CD1-CB 3.89Å; Y170-K216 HydrophobicContact CD2-CB 4.06Å; Y170-K216 HydrophobicContact CD2-CD 4.25Å; Y170-K216 HydrophobicContact CE1-CB 3.84Å; Y170-K216 HydrophobicContact CE1-CG 4.22Å; Y170-K216 HydrophobicContact CE2-CB 4.05Å; Y170-K216 HydrophobicContact CE2-CD 3.65Å; Y170-K216 HydrophobicContact CE2-CG 4.19Å; Y170-K216 HydrophobicContact CG-CB 3.95Å
217	C	91.2	Very high	86.3	Confident	12 Å²	12	71.7 Å²	71.7	8%	0.081	36%	0.363	C	S	.	.			trans	-64.8	136.1	177.9	-54.8	0	0	0	0	111.1	F171 C199 C200 C220	F171-C217 WeakPolarHBondContact O-CB 2.93Å; F171-C217 PolarHBondContact O-SG 3.42Å; C199-C217 WeakPolarHBondContact CA-SG 3.44Å; C199-C217 HydrophobicContact CB-CB 3.63Å; C199-C217 WeakPolarHBondContact CB-SG 3.3Å; C199-C217 WeakPolarHBondContact SG-CB 3.14Å; C199-C217 PolarHBondContact SG-N 3.27Å; C199-C217 VanDerWaalsContact SG-N 3.44Å; C199-C217 CovalentContact SG-SG 2.02Å; C199-C217 PolarHBondContact SG-SG 3.24Å; C200-C217 PolarHBondContact N-SG 3.37Å; C200-C217 VanDerWaalsContact N-SG 3.44Å; C217-C220 HydrophobicContact CB-CB 4.34Å
218	L	86	Confident	85.8	Confident	127 Å²	127	76.1 Å²	76.1	67%	0.665	39%	0.385	S	S	*	.	S	Bend	trans	-76.5	-36.1	-172.5	-66	177	0	0	0	114	D172	D172-L218 HydrophobicContact CB-CB 4.32Å
219	N	85.7	Confident	85.4	Confident	104 Å²	104	73.1 Å²	73.1	56%	0.556	37%	0.368	S	S	*	.	S	Bend	trans	-99.5	8.4	-170.1	-59.7	-35	0	0	0	113.7	D172 D173 C174	D172-N219 VanDerWaalsContact O-CB 3.24Å; D172-N219 WeakPolarHBondContact O-CB 3.42Å; D172-N219 PolarHBondContact O-N 3.2Å; D173-N219 PolarHBondContact OD1-ND2 2.94Å; C174-N219 PolarHBondContact SG-O 3.11Å
220	C	84.8	Confident	85	Confident	8 Å²	8	74.7 Å²	74.7	5%	0.054	38%	0.375	C	S	.	.			trans	-100.2	126.4	-177.6	-58.8	0	0	0	0	112.6	C174 N197 C199 C217	C174-C220 WeakPolarHBondContact CA-SG 3.41Å; C174-C220 HydrophobicContact CB-CB 4.37Å; C174-C220 WeakPolarHBondContact CB-SG 3.48Å; C174-C220 WeakPolarHBondContact SG-CA 3.34Å; C174-C220 WeakPolarHBondContact SG-CB 3.07Å; C174-C220 PolarHBondContact SG-N 3.17Å; C174-C220 VanDerWaalsContact SG-N 3.41Å; C174-C220 CovalentContact SG-SG 2.05Å; C174-C220 PolarHBondContact SG-SG 3.05Å; N197-C220 WeakPolarHBondContact O-CB 3.42Å; C199-C220 HydrophobicContact CB-CB 4.45Å; C217-C220 HydrophobicContact CB-CB 4.34Å
221	L	69.6	Low	84.3	Confident	154 Å²	154	75.9 Å²	75.9	81%	0.806	39%	0.386	S	S	*	.			trans	-58.4	147	177.1	-70.9	165.2	0	0	0	110.7	N197	N197-L221 WeakPolarHBondContact CB-O 3.46Å; N197-L221 PolarHBondContact ND2-O 3.38Å; N197-L221 VanDerWaalsContact ND2-O 3.08Å
222	F	58.4	Low	83.7	Confident	228 Å²	228	82.8 Å²	82.8	100%	1	42%	0.422	S	S	*	.			trans	-81.5	0	170.2	-57.6	-82.8	0	0	0	111.3	T89	T89-F222 WeakPolarHBondContact CG2-OXT 3.03Å

Retrieved 222 of 222 residues in 547.7 ms (Link to these results)

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