A0A096LVH8_POEFO Loading...

Acetylserotonin O-methyltransferase

Catalyzes the transfer of a methyl group onto N-acetylserotonin, producing melatonin (N-acetyl-5-methoxytryptamine).

AlphaFold DB , UniProt , Accession A0A096LVH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	52.7	Low	72.6	Confident	191 Å²	191	130.5 Å²	130.5	100%	1.172	72%	0.724	S	S	*	*				0	99.9	0	31.7	0	0	0	0	107.6
2	T	51.1	Low	74.5	Confident	140 Å²	140	128.1 Å²	128.1	86%	0.859	71%	0.706	S	S	*	*			trans	-67.2	127.7	176.3	-18	0	0	0	0	107.9
3	P	54.2	Low	76	Confident	91 Å²	91	122.8 Å²	122.8	59%	0.591	68%	0.676	S	S	*	*			trans	-66.8	141.3	-173.5	24.8	-30	0	0	0	110.5	T5	P3-T5 PolarHBondContact O-N 2.83Å
4	A	62.4	Low	77.3	Confident	97 Å²	97	121.2 Å²	121.2	80%	0.802	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-64.1	11.6	-178.9	0	0	0	0	0	114.6
5	T	59.7	Low	78.4	Confident	115 Å²	115	123.5 Å²	123.5	71%	0.706	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-83.3	-8.1	-170.1	42.8	0	0	0	0	114.9	P3	P3-T5 PolarHBondContact O-N 2.83Å
6	D	67.2	Low	79.5	Confident	156 Å²	156	123.6 Å²	123.6	83%	0.834	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-116.1	7.1	-176.5	-84.1	-25.5	0	0	0	115.4	Y8	D6-Y8 PolarHBondContact O-N 3.43Å
7	V	84.1	Confident	80.4	Confident	120 Å²	120	123 Å²	123	73%	0.727	65%	0.648	S	S	*	*			trans	-91.9	102.2	-180	-173.8	0	0	0	0	110.6	P9	V7-P9 WeakPolarHBondContact O-CD 3.4Å
8	Y	89.1	Confident	81.3	Confident	163 Å²	163	117.5 Å²	117.5	64%	0.639	63%	0.626	S	S	*	*			trans	-67.8	117.6	171.6	-178.2	-103.7	0	0	0	110.4	D6 R10 L13	D6-Y8 PolarHBondContact O-N 3.43Å; Y8-R10 HydrophobicContact CD1-CB 3.8Å; Y8-R10 HydrophobicContact CE1-CB 3.84Å; Y8-R10 HydrophobicContact CE1-CG 4.22Å; Y8-R10 PolarHBondContact O-N 3.41Å; Y8-L13 HydrophobicContact CE2-CD1 4.22Å
9	P	92.3	Very high	82.1	Confident	66 Å²	66	116.7 Å²	116.7	43%	0.429	62%	0.616	S	S	.	*			trans	-82.6	51.3	-168.3	35.4	-38	0	0	0	112.8	V7 K11 I12 L13	V7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-K11 PolarHBondContact O-N 2.94Å; P9-I12 HydrophobicContact CB-CB 4.4Å; P9-I12 PolarHBondContact O-N 2.81Å; P9-L13 HydrophobicContact CG-CD1 4.24Å; P9-L13 HydrophobicContact CG-CG 4.31Å; P9-L13 PolarHBondContact O-N 3.27Å; P9-L13 VanDerWaalsContact O-N 3.15Å
10	R	93.3	Very high	82.9	Confident	158 Å²	158	115.2 Å²	115.2	60%	0.596	61%	0.608	S	S	*	*	H	α-helix	trans	-47.3	-52.9	-171.7	-173.6	178.9	-67.9	-144.1	-1.2	113.4	Y8 I12 L13 E14	Y8-R10 HydrophobicContact CD1-CB 3.8Å; Y8-R10 HydrophobicContact CE1-CB 3.84Å; Y8-R10 HydrophobicContact CE1-CG 4.22Å; Y8-R10 PolarHBondContact O-N 3.41Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 2.74Å; R10-L13 PolarHBondContact O-N 3.33Å; R10-E14 WeakPolarHBondContact CD-OE1 3.23Å; R10-E14 HydrophobicContact CG-CG 4.42Å; R10-E14 VanDerWaalsContact CG-OE1 3.28Å; R10-E14 WeakPolarHBondContact CG-OE1 3.33Å; R10-E14 WeakPolarHBondContact O-CG 3.26Å; R10-E14 PolarHBondContact O-N 3.47Å
11	K	93.1	Very high	83.6	Confident	139 Å²	139	113.8 Å²	113.8	60%	0.604	60%	0.6	S	S	*	*	H	α-helix	trans	-62.9	-37.1	-177.2	-70.9	-170.6	175.5	-174.2	0	113.4	P9 E14 Y15	P9-K11 PolarHBondContact O-N 2.94Å; K11-E14 PolarHBondContact O-N 2.87Å; K11-Y15 HydrophobicContact CB-CE2 4.27Å; K11-Y15 VanDerWaalsContact O-CD2 3.23Å; K11-Y15 WeakPolarHBondContact O-CD2 3.39Å; K11-Y15 PolarHBondContact O-N 3.12Å
12	I	95	Very high	85.7	Confident	101 Å²	101	107 Å²	107	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-68.1	-42.7	179.4	-61.3	-59.8	0	0	0	109.9	P9 R10 Y15 M16	P9-I12 HydrophobicContact CB-CB 4.4Å; P9-I12 PolarHBondContact O-N 2.81Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 2.74Å; I12-Y15 PolarHBondContact O-N 3.27Å; I12-M16 HydrophobicContact CG2-CG 4.37Å; I12-M16 HydrophobicContact CG2-SD 4.06Å; I12-M16 WeakPolarHBondContact O-CB 3.47Å; I12-M16 VanDerWaalsContact O-CG 3.26Å; I12-M16 WeakPolarHBondContact O-CG 3.28Å; I12-M16 PolarHBondContact O-N 3.49Å
13	L	94	Very high	87.9	Confident	60 Å²	60	103.8 Å²	103.8	31%	0.314	53%	0.534	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.1	-62.5	173.7	0	0	0	111.1	Y8 P9 R10 Y15 M16 E17	Y8-L13 HydrophobicContact CE2-CD1 4.22Å; P9-L13 HydrophobicContact CG-CD1 4.24Å; P9-L13 HydrophobicContact CG-CG 4.31Å; P9-L13 PolarHBondContact O-N 3.27Å; P9-L13 VanDerWaalsContact O-N 3.15Å; R10-L13 PolarHBondContact O-N 3.33Å; L13-Y15 VanDerWaalsContact C-N 3.33Å; L13-Y15 PolarHBondContact O-N 3.28Å; L13-M16 HydrophobicContact CD2-SD 4.41Å; L13-M16 PolarHBondContact O-N 3.15Å; L13-E17 PolarHBondContact O-N 3.27Å; L13-E17 VanDerWaalsContact O-N 3.07Å
14	E	93.6	Very high	90	Very high	100 Å²	100	100.9 Å²	100.9	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-58	-42.1	174.7	-73.2	168	178.1	0	0	112.2	R10 K11 E17 G18	R10-E14 WeakPolarHBondContact CD-OE1 3.23Å; R10-E14 HydrophobicContact CG-CG 4.42Å; R10-E14 VanDerWaalsContact CG-OE1 3.28Å; R10-E14 WeakPolarHBondContact CG-OE1 3.33Å; R10-E14 WeakPolarHBondContact O-CG 3.26Å; R10-E14 PolarHBondContact O-N 3.47Å; K11-E14 PolarHBondContact O-N 2.87Å; E14-E17 PolarHBondContact O-N 2.88Å; E14-G18 PolarHBondContact O-N 3.36Å
15	Y	94.8	Very high	91.7	Very high	155 Å²	155	97.6 Å²	97.6	61%	0.608	49%	0.485	S	S	*	.	H	α-helix	trans	-72	-39.2	177.6	-61	-26.8	0	0	0	113.1	K11 I12 L13 E17 G18	K11-Y15 HydrophobicContact CB-CE2 4.27Å; K11-Y15 VanDerWaalsContact O-CD2 3.23Å; K11-Y15 WeakPolarHBondContact O-CD2 3.39Å; K11-Y15 PolarHBondContact O-N 3.12Å; I12-Y15 PolarHBondContact O-N 3.27Å; L13-Y15 VanDerWaalsContact C-N 3.33Å; L13-Y15 PolarHBondContact O-N 3.28Å; Y15-E17 PolarHBondContact O-N 3.28Å; Y15-G18 PolarHBondContact O-N 2.84Å
16	M	95.6	Very high	93.5	Very high	125 Å²	125	93.4 Å²	93.4	62%	0.616	46%	0.457	S	S	*	.	H	α-helix	trans	-58.4	-34.7	174.9	-76.3	175.4	63.4	0	0	111.5	I12 L13 F19	I12-M16 HydrophobicContact CG2-CG 4.37Å; I12-M16 HydrophobicContact CG2-SD 4.06Å; I12-M16 WeakPolarHBondContact O-CB 3.47Å; I12-M16 VanDerWaalsContact O-CG 3.26Å; I12-M16 WeakPolarHBondContact O-CG 3.28Å; I12-M16 PolarHBondContact O-N 3.49Å; L13-M16 HydrophobicContact CD2-SD 4.41Å; L13-M16 PolarHBondContact O-N 3.15Å; M16-F19 VanDerWaalsContact O-CD1 3.27Å; M16-F19 WeakPolarHBondContact O-CD1 3.46Å; M16-F19 VanDerWaalsContact O-CE1 3.23Å; M16-F19 WeakPolarHBondContact O-CE1 3.23Å
17	E	95.4	Very high	95	Very high	114 Å²	114	88.3 Å²	88.3	53%	0.533	43%	0.431	S	S	.	.	H	α-helix	trans	-98.4	-2.9	-177.2	-66.8	-177	168.5	0	0	113.7	L13 E14 Y15 F19 L20	L13-E17 PolarHBondContact O-N 3.27Å; L13-E17 VanDerWaalsContact O-N 3.07Å; E14-E17 PolarHBondContact O-N 2.88Å; Y15-E17 PolarHBondContact O-N 3.28Å; E17-F19 PolarHBondContact O-N 2.97Å; E17-L20 HydrophobicContact CB-CD1 4.08Å; E17-L20 HydrophobicContact CG-CD1 4.2Å; E17-L20 WeakPolarHBondContact O-CB 3.36Å; E17-L20 PolarHBondContact O-N 2.93Å
18	G	96.7	Very high	95.7	Very high	24 Å²	24	82.6 Å²	82.6	25%	0.247	40%	0.397	C	S	.	.	H	α-helix	trans	-56.5	-31.2	-175	0	0	0	0	0	114.1	E14 Y15 L20 I21 S22	E14-G18 PolarHBondContact O-N 3.36Å; Y15-G18 PolarHBondContact O-N 2.84Å; G18-L20 VanDerWaalsContact C-N 3.26Å; G18-L20 PolarHBondContact O-N 3.29Å; G18-I21 WeakPolarHBondContact O-CB 3.39Å; G18-I21 PolarHBondContact O-N 3.38Å; G18-S22 PolarHBondContact O-N 3.06Å; G18-S22 VanDerWaalsContact O-N 3.14Å; G18-S22 PolarHBondContact O-OG 3.37Å
19	F	96.4	Very high	96	Very high	102 Å²	102	75.1 Å²	75.1	45%	0.447	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-29.4	175.7	78	-88.2	0	0	0	113	M16 E17 S22 K23 Y114	M16-F19 VanDerWaalsContact O-CD1 3.27Å; M16-F19 WeakPolarHBondContact O-CD1 3.46Å; M16-F19 VanDerWaalsContact O-CE1 3.23Å; M16-F19 WeakPolarHBondContact O-CE1 3.23Å; E17-F19 PolarHBondContact O-N 2.97Å; F19-S22 PolarHBondContact O-N 3.43Å; F19-K23 WeakPolarHBondContact O-CG 3.47Å; F19-K23 PolarHBondContact O-N 3.21Å; F19-Y114 HydrophobicContact CB-CE2 4.19Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.45Å
20	L	97.6	Very high	96.2	Very high	86 Å²	86	76.4 Å²	76.4	45%	0.45	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-45.4	175	-60	175.4	0	0	0	109.8	E17 G18 S22 K23 T24	E17-L20 HydrophobicContact CB-CD1 4.08Å; E17-L20 HydrophobicContact CG-CD1 4.2Å; E17-L20 WeakPolarHBondContact O-CB 3.36Å; E17-L20 PolarHBondContact O-N 2.93Å; G18-L20 VanDerWaalsContact C-N 3.26Å; G18-L20 PolarHBondContact O-N 3.29Å; L20-S22 PolarHBondContact O-N 3.47Å; L20-K23 PolarHBondContact O-N 3.07Å; L20-T24 PolarHBondContact O-N 3.29Å; L20-T24 PolarHBondContact O-OG1 3.28Å; L20-T24 VanDerWaalsContact O-OG1 3.06Å
21	I	97.6	Very high	96.4	Very high	87 Å²	87	72 Å²	72	45%	0.446	36%	0.356	S	S	.	.	H	α-helix	trans	-58.1	-49.3	176	-59.9	175.2	0	0	0	110	G18 K23 T24 V25 L70	G18-I21 WeakPolarHBondContact O-CB 3.39Å; G18-I21 PolarHBondContact O-N 3.38Å; I21-K23 PolarHBondContact O-N 2.94Å; I21-T24 PolarHBondContact O-N 3.07Å; I21-V25 WeakPolarHBondContact O-CG2 3.27Å; I21-V25 PolarHBondContact O-N 2.98Å; I21-V25 VanDerWaalsContact O-N 3.12Å; I21-L70 HydrophobicContact CB-CD2 4.5Å; I21-L70 HydrophobicContact CD1-CD2 4.46Å; I21-L70 HydrophobicContact CG1-CD2 4.2Å; I21-L70 HydrophobicContact CG2-CD1 4.1Å; I21-L70 HydrophobicContact CG2-CD2 3.73Å
22	S	97.2	Very high	96.7	Very high	47 Å²	47	65.6 Å²	65.6	33%	0.329	33%	0.331	S	S	.	.	H	α-helix	trans	-57.7	-48.9	177.8	-55.9	0	0	0	0	111.8	G18 F19 L20 T24 V25 F26	G18-S22 PolarHBondContact O-N 3.06Å; G18-S22 VanDerWaalsContact O-N 3.14Å; G18-S22 PolarHBondContact O-OG 3.37Å; F19-S22 PolarHBondContact O-N 3.43Å; L20-S22 PolarHBondContact O-N 3.47Å; S22-T24 VanDerWaalsContact C-N 3.35Å; S22-T24 PolarHBondContact O-N 2.86Å; S22-V25 PolarHBondContact O-N 3.15Å; S22-F26 WeakPolarHBondContact O-CB 3.22Å; S22-F26 WeakPolarHBondContact O-CD1 3.34Å; S22-F26 WeakPolarHBondContact O-CG 3.48Å; S22-F26 PolarHBondContact O-N 3.17Å
23	K	97.3	Very high	96.8	Very high	73 Å²	73	60.9 Å²	60.9	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-35.1	-180	-71.8	-62.9	-63.6	179.3	0	112.8	F19 L20 I21 F26 T27 Y114	F19-K23 WeakPolarHBondContact O-CG 3.47Å; F19-K23 PolarHBondContact O-N 3.21Å; L20-K23 PolarHBondContact O-N 3.07Å; I21-K23 PolarHBondContact O-N 2.94Å; K23-F26 HydrophobicContact CD-CD2 4.12Å; K23-F26 PolarHBondContact O-N 3.34Å; K23-T27 WeakPolarHBondContact O-CB 3.33Å; K23-T27 PolarHBondContact O-N 3.31Å; K23-T27 PolarHBondContact O-OG1 3.34Å; K23-T27 VanDerWaalsContact O-OG1 3.1Å; K23-Y114 HydrophobicContact CD-CD1 4.4Å; K23-Y114 HydrophobicContact CD-CD2 4.28Å; K23-Y114 HydrophobicContact CD-CE1 4.08Å; K23-Y114 HydrophobicContact CD-CE2 3.92Å; K23-Y114 HydrophobicContact CG-CE2 3.91Å
24	T	98.3	Very high	97	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-49.9	172.4	-65	0	0	0	0	111.1	L20 I21 S22 F26 T27 S28 L63 A66 L70	L20-T24 PolarHBondContact O-N 3.29Å; L20-T24 PolarHBondContact O-OG1 3.28Å; L20-T24 VanDerWaalsContact O-OG1 3.06Å; I21-T24 PolarHBondContact O-N 3.07Å; S22-T24 VanDerWaalsContact C-N 3.35Å; S22-T24 PolarHBondContact O-N 2.86Å; T24-F26 PolarHBondContact O-N 2.86Å; T24-T27 PolarHBondContact O-N 3.02Å; T24-S28 PolarHBondContact O-N 3.17Å; T24-S28 PolarHBondContact O-OG 3.45Å; T24-S28 VanDerWaalsContact O-OG 3.07Å; T24-L63 HydrophobicContact CG2-CD1 4.03Å; T24-A66 HydrophobicContact CG2-CB 3.94Å; T24-L70 HydrophobicContact CG2-CD1 3.78Å
25	V	98.1	Very high	97.3	Very high	29 Å²	29	54.9 Å²	54.9	18%	0.176	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-45.6	177.6	178.3	0	0	0	0	111.1	I21 S22 T27 S28 C29 L70 L72 I106	I21-V25 WeakPolarHBondContact O-CG2 3.27Å; I21-V25 PolarHBondContact O-N 2.98Å; I21-V25 VanDerWaalsContact O-N 3.12Å; S22-V25 PolarHBondContact O-N 3.15Å; V25-T27 PolarHBondContact O-N 3.19Å; V25-S28 PolarHBondContact O-N 2.93Å; V25-C29 PolarHBondContact O-N 2.89Å; V25-C29 VanDerWaalsContact O-N 3.07Å; V25-L70 HydrophobicContact CG2-CD1 4.35Å; V25-L72 HydrophobicContact CG2-CD1 3.86Å; V25-I106 HydrophobicContact CG1-CD1 4.05Å
26	F	97.7	Very high	97.4	Very high	27 Å²	27	49.1 Å²	49.1	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-46.9	-177.9	-63.1	-4.4	0	0	0	111.6	S22 K23 T24 C29 E30 I106 S110 Y114	S22-F26 WeakPolarHBondContact O-CB 3.22Å; S22-F26 WeakPolarHBondContact O-CD1 3.34Å; S22-F26 WeakPolarHBondContact O-CG 3.48Å; S22-F26 PolarHBondContact O-N 3.17Å; K23-F26 HydrophobicContact CD-CD2 4.12Å; K23-F26 PolarHBondContact O-N 3.34Å; T24-F26 PolarHBondContact O-N 2.86Å; F26-C29 PolarHBondContact O-N 3.14Å; F26-E30 WeakPolarHBondContact O-CB 3.49Å; F26-E30 PolarHBondContact O-N 3.04Å; F26-I106 HydrophobicContact CB-CG2 4.36Å; F26-I106 HydrophobicContact CD1-CG2 3.56Å; F26-I106 HydrophobicContact CE1-CG2 4.26Å; F26-I106 HydrophobicContact CG-CG2 4.26Å; F26-S110 VanDerWaalsContact CD2-CA 3.48Å; F26-Y114 AromaticContact CE2-CD2 3.94Å; F26-Y114 HydrophobicContact CE2-CD2 3.94Å; F26-Y114 HydrophobicContact CE2-CG 4.43Å
27	T	98.1	Very high	97.5	Very high	48 Å²	48	43.6 Å²	43.6	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-40	179.1	-65.8	0	0	0	0	111.9	K23 T24 V25 C29 E30 L31 L63	K23-T27 WeakPolarHBondContact O-CB 3.33Å; K23-T27 PolarHBondContact O-N 3.31Å; K23-T27 PolarHBondContact O-OG1 3.34Å; K23-T27 VanDerWaalsContact O-OG1 3.1Å; T24-T27 PolarHBondContact O-N 3.02Å; V25-T27 PolarHBondContact O-N 3.19Å; T27-C29 PolarHBondContact O-N 3.28Å; T27-E30 PolarHBondContact O-N 3.07Å; T27-L31 HydrophobicContact CG2-CD1 3.87Å; T27-L31 HydrophobicContact CG2-CG 4.3Å; T27-L31 WeakPolarHBondContact O-CB 3.41Å; T27-L31 WeakPolarHBondContact O-CG 3.33Å; T27-L31 PolarHBondContact O-N 3.06Å; T27-L63 HydrophobicContact CG2-CD1 4.33Å; T27-L63 HydrophobicContact CG2-CD2 4.14Å
28	S	98	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-38.5	177.1	-63.7	0	0	0	0	112.9	T24 V25 G32 V33 L63 C67	T24-S28 PolarHBondContact O-N 3.17Å; T24-S28 PolarHBondContact O-OG 3.45Å; T24-S28 VanDerWaalsContact O-OG 3.07Å; V25-S28 PolarHBondContact O-N 2.93Å; S28-G32 PolarHBondContact O-N 3.19Å; S28-V33 PolarHBondContact O-N 3.23Å; S28-V33 VanDerWaalsContact O-N 3.12Å; S28-L63 WeakPolarHBondContact OG-CD1 3.04Å; S28-L63 WeakPolarHBondContact OG-CG 3.29Å; S28-C67 PolarHBondContact OG-SG 3.39Å
29	C	97.1	Very high	97.7	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-67.9	-44.2	172.1	-73.7	0	0	0	0	112	V25 F26 T27 L31 G32 R96 I106	V25-C29 PolarHBondContact O-N 2.89Å; V25-C29 VanDerWaalsContact O-N 3.07Å; F26-C29 PolarHBondContact O-N 3.14Å; T27-C29 PolarHBondContact O-N 3.28Å; C29-L31 PolarHBondContact O-N 2.95Å; C29-G32 PolarHBondContact O-N 3.43Å; C29-G32 VanDerWaalsContact O-N 3.07Å; C29-R96 PolarHBondContact O-NH2 2.87Å; C29-I106 HydrophobicContact CB-CG2 3.82Å
30	E	95.9	Very high	97.6	Very high	94 Å²	94	40 Å²	40	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-45.9	-179.9	-177.5	162.3	-157.2	0	0	111.6	F26 T27 G32 R96 R111	F26-E30 WeakPolarHBondContact O-CB 3.49Å; F26-E30 PolarHBondContact O-N 3.04Å; T27-E30 PolarHBondContact O-N 3.07Å; E30-G32 PolarHBondContact O-N 2.96Å; E30-R96 PolarHBondContact O-NH2 3.23Å; E30-R111 IonicContact OE1-CZ 2.81Å; E30-R111 IonicContact OE1-NE 3.77Å; E30-R111 IonicContact OE1-NH2 3.73Å; E30-R111 PolarHBondContact OE1-NH2 3.46Å
31	L	97.8	Very high	97.2	Very high	64 Å²	64	45 Å²	45	34%	0.335	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14	175.9	-69.2	175.4	0	0	0	113.7	T27 C29 V33 V53 L63	T27-L31 HydrophobicContact CG2-CD1 3.87Å; T27-L31 HydrophobicContact CG2-CG 4.3Å; T27-L31 WeakPolarHBondContact O-CB 3.41Å; T27-L31 WeakPolarHBondContact O-CG 3.33Å; T27-L31 PolarHBondContact O-N 3.06Å; C29-L31 PolarHBondContact O-N 2.95Å; L31-V33 HydrophobicContact CB-CG2 4.13Å; L31-V53 HydrophobicContact CB-CB 4.33Å; L31-V53 HydrophobicContact CB-CG2 4.5Å; L31-V53 WeakPolarHBondContact O-CB 3.23Å; L31-V53 VanDerWaalsContact O-CG1 3.24Å; L31-V53 WeakPolarHBondContact O-CG1 3.43Å; L31-L63 HydrophobicContact CD1-CD2 3.72Å
32	G	97.8	Very high	97.1	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	27	-179	0	0	0	0	0	114.4	S28 C29 E30 F34 D35 V36 R96	S28-G32 PolarHBondContact O-N 3.19Å; C29-G32 PolarHBondContact O-N 3.43Å; C29-G32 VanDerWaalsContact O-N 3.07Å; E30-G32 PolarHBondContact O-N 2.96Å; G32-F34 VanDerWaalsContact C-N 3.29Å; G32-F34 PolarHBondContact O-N 3.43Å; G32-D35 PolarHBondContact O-N 3.28Å; G32-V36 PolarHBondContact O-N 3.49Å; G32-V36 VanDerWaalsContact O-N 3.13Å; G32-R96 VanDerWaalsContact CA-NH1 3.33Å
33	V	98.4	Very high	97.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-54.2	-46.2	-178.9	171.3	0	0	0	0	111.6	S28 L31 D35 V36 L37 I49 L63 L64	S28-V33 PolarHBondContact O-N 3.23Å; S28-V33 VanDerWaalsContact O-N 3.12Å; L31-V33 HydrophobicContact CB-CG2 4.13Å; V33-D35 VanDerWaalsContact C-N 3.33Å; V33-D35 PolarHBondContact O-N 2.97Å; V33-V36 PolarHBondContact O-N 3.29Å; V33-L37 HydrophobicContact CG1-CD1 4.06Å; V33-L37 WeakPolarHBondContact O-CG 3.44Å; V33-L37 PolarHBondContact O-N 3.48Å; V33-L37 VanDerWaalsContact O-N 3.11Å; V33-I49 HydrophobicContact CG1-CG2 4.43Å; V33-L63 HydrophobicContact CG2-CD2 4.41Å; V33-L64 HydrophobicContact CG1-CD2 3.58Å
34	F	98.4	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-31.7	-176.4	-51.8	-67.4	0	0	0	112.7	G32 L38 L72 L73 N86 L94 T95	G32-F34 VanDerWaalsContact C-N 3.29Å; G32-F34 PolarHBondContact O-N 3.43Å; F34-L38 WeakPolarHBondContact O-CB 3.45Å; F34-L38 PolarHBondContact O-N 3.11Å; F34-L72 HydrophobicContact CE1-CB 4.26Å; F34-L72 HydrophobicContact CZ-CD1 4.41Å; F34-L73 HydrophobicContact CD1-CD2 4.02Å; F34-L73 HydrophobicContact CE1-CD2 3.97Å; F34-L73 HydrophobicContact CE1-CG 4.5Å; F34-N86 WeakPolarHBondContact CD1-OD1 3.31Å; F34-N86 PolarHBondContact O-ND2 3.41Å; F34-L94 HydrophobicContact CB-CB 4.34Å; F34-L94 WeakPolarHBondContact CB-O 3.4Å; F34-L94 HydrophobicContact CD1-CB 4.3Å; F34-L94 HydrophobicContact CD2-CB 3.53Å; F34-L94 HydrophobicContact CD2-CD1 4.34Å; F34-L94 WeakPolarHBondContact CD2-O 3.48Å; F34-L94 HydrophobicContact CE1-CD1 3.97Å; F34-L94 HydrophobicContact CE2-CB 3.81Å; F34-L94 HydrophobicContact CE2-CD1 3.78Å; F34-L94 HydrophobicContact CE2-CG 4.37Å; F34-L94 HydrophobicContact CG-CB 3.79Å; F34-L94 HydrophobicContact CZ-CB 4.3Å; F34-L94 HydrophobicContact CZ-CD1 3.57Å; F34-T95 HydrophobicContact CB-CG2 4.12Å
35	D	98.3	Very high	97.2	Very high	33 Å²	33	42.7 Å²	42.7	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-72.3	-42.1	177.1	-64.7	-54.1	0	0	0	111.4	G32 V33 L37 L38 A39 T95 R96	G32-D35 PolarHBondContact O-N 3.28Å; V33-D35 VanDerWaalsContact C-N 3.33Å; V33-D35 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.02Å; D35-L38 PolarHBondContact O-N 2.7Å; D35-L38 VanDerWaalsContact O-N 3.15Å; D35-A39 WeakPolarHBondContact O-CB 3.38Å; D35-A39 PolarHBondContact O-N 2.85Å; D35-T95 WeakPolarHBondContact OD1-CA 3.39Å; D35-R96 PolarHBondContact OD1-N 2.97Å; D35-R96 WeakPolarHBondContact OD2-CD 3.39Å; D35-R96 WeakPolarHBondContact OD2-CG 3.37Å; D35-R96 IonicContact OD2-CZ 3.75Å; D35-R96 IonicContact OD2-NE 2.93Å; D35-R96 IonicContact OD2-NH1 3.75Å; D35-R96 PolarHBondContact OD2-NH1 3.42Å
36	V	98.3	Very high	97.2	Very high	34 Å²	34	41.7 Å²	41.7	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-45.1	173.6	169.3	0	0	0	0	110.6	G32 V33 A39 A40 L44 A52 V53	G32-V36 PolarHBondContact O-N 3.49Å; G32-V36 VanDerWaalsContact O-N 3.13Å; V33-V36 PolarHBondContact O-N 3.29Å; V36-A39 PolarHBondContact O-N 2.94Å; V36-A40 PolarHBondContact O-N 2.86Å; V36-L44 HydrophobicContact CG1-CD1 3.67Å; V36-A52 HydrophobicContact CB-CB 4.49Å; V36-A52 HydrophobicContact CG1-CB 3.69Å; V36-A52 HydrophobicContact CG2-CB 3.91Å; V36-V53 HydrophobicContact CG2-CG1 3.84Å
37	L	98.2	Very high	97.2	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-34.9	176.8	-72.6	173.8	0	0	0	113.1	V33 D35 L44 I49 L73 Y84	V33-L37 HydrophobicContact CG1-CD1 4.06Å; V33-L37 WeakPolarHBondContact O-CG 3.44Å; V33-L37 PolarHBondContact O-N 3.48Å; V33-L37 VanDerWaalsContact O-N 3.11Å; D35-L37 VanDerWaalsContact C-N 3.29Å; D35-L37 PolarHBondContact O-N 3.02Å; L37-L44 HydrophobicContact CD2-CB 4.02Å; L37-L44 HydrophobicContact CD2-CD1 4.23Å; L37-L44 HydrophobicContact CD2-CG 4.21Å; L37-I49 HydrophobicContact CD2-CD1 3.84Å; L37-I49 HydrophobicContact CD2-CG1 4.27Å; L37-I49 HydrophobicContact CG-CD1 4.46Å; L37-L73 HydrophobicContact CD1-CD1 4.26Å; L37-L73 HydrophobicContact CD1-CD2 3.4Å; L37-L73 HydrophobicContact CD1-CG 4.47Å; L37-Y84 WeakPolarHBondContact CD2-O 3.28Å
38	L	97.5	Very high	97.2	Very high	48 Å²	48	45.5 Å²	45.5	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-43.7	175.8	179.1	65.5	0	0	0	111.1	F34 D35 A40 N86 R91 T95 S97	F34-L38 WeakPolarHBondContact O-CB 3.45Å; F34-L38 PolarHBondContact O-N 3.11Å; D35-L38 PolarHBondContact O-N 2.7Å; D35-L38 VanDerWaalsContact O-N 3.15Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.31Å; L38-N86 PolarHBondContact N-ND2 3.19Å; L38-R91 HydrophobicContact CD1-CG 4.1Å; L38-T95 HydrophobicContact CB-CG2 4.08Å; L38-T95 HydrophobicContact CD2-CG2 3.9Å; L38-T95 HydrophobicContact CG-CG2 4.47Å; L38-S97 WeakPolarHBondContact CD2-OG 3.48Å
39	A	97.2	Very high	97.3	Very high	83 Å²	83	45.5 Å²	45.5	69%	0.686	24%	0.242	S	C	*	.	H	α-helix	trans	-69.6	-26.1	-176	0	0	0	0	0	113.7	D35 V36	D35-A39 WeakPolarHBondContact O-CB 3.38Å; D35-A39 PolarHBondContact O-N 2.85Å; V36-A39 PolarHBondContact O-N 2.94Å
40	A	94	Very high	97.3	Very high	33 Å²	33	45.5 Å²	45.5	27%	0.273	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.6	-175.7	0	0	0	0	0	114.7	V36 L38 R42 L44	V36-A40 PolarHBondContact O-N 2.86Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.31Å; A40-R42 WeakPolarHBondContact O-CG 3.3Å; A40-R42 PolarHBondContact O-N 2.87Å; A40-L44 HydrophobicContact CB-CD1 3.75Å; A40-L44 HydrophobicContact CB-CD2 3.62Å; A40-L44 HydrophobicContact CB-CG 3.67Å
41	E	89.4	Confident	97.5	Very high	191 Å²	191	47.6 Å²	47.6	89%	0.893	25%	0.252	S	S	*	.	S	Bend	trans	53.5	6.7	-175	-59.4	-171.3	171	0	0	115.9
42	R	96.3	Very high	97.5	Very high	127 Å²	127	47.5 Å²	47.5	48%	0.479	26%	0.261	S	S	.	.	S	Bend	trans	-142.5	162.7	175	65.6	170	173.6	88.1	-1.5	110.4	A40 L44 E48	A40-R42 WeakPolarHBondContact O-CG 3.3Å; A40-R42 PolarHBondContact O-N 2.87Å; R42-L44 HydrophobicContact CG-CD2 4.47Å; R42-E48 IonicContact CZ-OE1 2.68Å; R42-E48 VanDerWaalsContact CZ-OE1 3.28Å; R42-E48 IonicContact NH1-OE1 2.61Å; R42-E48 PolarHBondContact NH1-OE1 3.2Å; R42-E48 IonicContact NH1-OE2 3.55Å; R42-E48 IonicContact NH2-OE1 3.79Å; R42-E48 PolarHBondContact NH2-OE1 3.14Å
43	P	97.8	Very high	97.5	Very high	45 Å²	45	48.3 Å²	48.3	29%	0.292	26%	0.264	S	S	.	.			trans	-59.1	141.2	168.7	-23.8	35.5	0	0	0	112.2	F83 Y84	P43-F83 HydrophobicContact CB-CB 3.59Å; P43-Y84 CarbonylContact C-O 3.55Å; P43-Y84 WeakPolarHBondContact CA-O 3.47Å
44	L	98.4	Very high	97.5	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.058	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.8	178.5	-65.4	-174.6	0	0	0	111.5	V36 L37 A40 R42 E48 I49 F83 Y84	V36-L44 HydrophobicContact CG1-CD1 3.67Å; L37-L44 HydrophobicContact CD2-CB 4.02Å; L37-L44 HydrophobicContact CD2-CD1 4.23Å; L37-L44 HydrophobicContact CD2-CG 4.21Å; A40-L44 HydrophobicContact CB-CD1 3.75Å; A40-L44 HydrophobicContact CB-CD2 3.62Å; A40-L44 HydrophobicContact CB-CG 3.67Å; R42-L44 HydrophobicContact CG-CD2 4.47Å; L44-E48 HydrophobicContact CB-CB 4.39Å; L44-E48 HydrophobicContact CD2-CB 4.44Å; L44-I49 HydrophobicContact CB-CD1 3.96Å; L44-I49 HydrophobicContact CB-CG1 3.71Å; L44-I49 HydrophobicContact CD1-CG1 3.95Å; L44-F83 CarbonylContact O-C 3.53Å; L44-F83 WeakPolarHBondContact O-CA 3.35Å; L44-Y84 PolarHBondContact N-O 3.47Å; L44-Y84 PolarHBondContact O-N 2.92Å
45	S	98.3	Very high	97.5	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	160.4	169.6	65.9	0	0	0	0	111.6	E47 E48 I49 Q81	S45-E47 PolarHBondContact O-N 2.85Å; S45-E48 WeakPolarHBondContact CB-OE2 3.47Å; S45-E48 PolarHBondContact N-OE2 2.86Å; S45-E48 PolarHBondContact O-N 3.38Å; S45-E48 WeakPolarHBondContact OG-CG 3.16Å; S45-E48 PolarHBondContact OG-N 2.76Å; S45-E48 PolarHBondContact OG-OE2 3.28Å; S45-I49 WeakPolarHBondContact O-CD1 3.44Å; S45-I49 VanDerWaalsContact O-CG1 3.32Å; S45-I49 WeakPolarHBondContact O-CG1 3.18Å; S45-I49 PolarHBondContact O-N 3.13Å; S45-I49 VanDerWaalsContact O-N 3.09Å; S45-Q81 VanDerWaalsContact CB-NE2 3.33Å
46	A	98.2	Very high	97.5	Very high	8 Å²	8	55.5 Å²	55.5	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-28.9	174.2	0	0	0	0	0	113	S50 L57 Q61 L64 Y84	A46-S50 VanDerWaalsContact O-CB 3.23Å; A46-S50 WeakPolarHBondContact O-CB 3.42Å; A46-S50 PolarHBondContact O-N 3.15Å; A46-S50 PolarHBondContact O-OG 3.42Å; A46-L57 HydrophobicContact CB-CD1 4.27Å; A46-Q61 HydrophobicContact CB-CB 4.48Å; A46-Q61 HydrophobicContact CB-CG 3.48Å; A46-Q61 VanDerWaalsContact CB-CG 3.48Å; A46-L64 HydrophobicContact CB-CD1 3.84Å; A46-Y84 HydrophobicContact CB-CE2 4.29Å
47	E	98.3	Very high	97.5	Very high	100 Å²	100	57.3 Å²	57.3	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-51.8	176.9	-173.9	172.2	-169.9	0	0	111.3	S45 I49 S50 Q51 L57	S45-E47 PolarHBondContact O-N 2.85Å; E47-I49 VanDerWaalsContact C-N 3.31Å; E47-I49 PolarHBondContact O-N 3.38Å; E47-S50 PolarHBondContact O-N 2.95Å; E47-S50 PolarHBondContact O-OG 3.36Å; E47-Q51 WeakPolarHBondContact O-CG 3.23Å; E47-Q51 PolarHBondContact O-N 3.36Å; E47-L57 HydrophobicContact CB-CD1 4.13Å
48	E	98.4	Very high	97.5	Very high	55 Å²	55	60.9 Å²	60.9	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-44.6	176.1	-69.4	165.2	109.7	0	0	111.4	R42 L44 S45 Q51 A52	R42-E48 IonicContact CZ-OE1 2.68Å; R42-E48 VanDerWaalsContact CZ-OE1 3.28Å; R42-E48 IonicContact NH1-OE1 2.61Å; R42-E48 PolarHBondContact NH1-OE1 3.2Å; R42-E48 IonicContact NH1-OE2 3.55Å; R42-E48 IonicContact NH2-OE1 3.79Å; R42-E48 PolarHBondContact NH2-OE1 3.14Å; L44-E48 HydrophobicContact CB-CB 4.39Å; L44-E48 HydrophobicContact CD2-CB 4.44Å; S45-E48 WeakPolarHBondContact CB-OE2 3.47Å; S45-E48 PolarHBondContact N-OE2 2.86Å; S45-E48 PolarHBondContact O-N 3.38Å; S45-E48 WeakPolarHBondContact OG-CG 3.16Å; S45-E48 PolarHBondContact OG-N 2.76Å; S45-E48 PolarHBondContact OG-OE2 3.28Å; E48-Q51 PolarHBondContact O-N 2.94Å; E48-A52 WeakPolarHBondContact O-CB 3.35Å; E48-A52 PolarHBondContact O-N 3.35Å
49	I	98.6	Very high	97.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-44.7	178.5	-62.2	161.2	0	0	0	110.6	V33 L37 L44 S45 E47 Q51 A52 V53 T60 L64 Y84	V33-I49 HydrophobicContact CG1-CG2 4.43Å; L37-I49 HydrophobicContact CD2-CD1 3.84Å; L37-I49 HydrophobicContact CD2-CG1 4.27Å; L37-I49 HydrophobicContact CG-CD1 4.46Å; L44-I49 HydrophobicContact CB-CD1 3.96Å; L44-I49 HydrophobicContact CB-CG1 3.71Å; L44-I49 HydrophobicContact CD1-CG1 3.95Å; S45-I49 WeakPolarHBondContact O-CD1 3.44Å; S45-I49 VanDerWaalsContact O-CG1 3.32Å; S45-I49 WeakPolarHBondContact O-CG1 3.18Å; S45-I49 PolarHBondContact O-N 3.13Å; S45-I49 VanDerWaalsContact O-N 3.09Å; E47-I49 VanDerWaalsContact C-N 3.31Å; E47-I49 PolarHBondContact O-N 3.38Å; I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 2.86Å; I49-A52 PolarHBondContact O-N 3.38Å; I49-V53 HydrophobicContact CG2-CG1 4.38Å; I49-V53 WeakPolarHBondContact O-CG2 3.33Å; I49-V53 PolarHBondContact O-N 3.45Å; I49-T60 HydrophobicContact CB-CG2 4.27Å; I49-T60 HydrophobicContact CG2-CG2 3.99Å; I49-L64 HydrophobicContact CB-CD1 4.25Å; I49-L64 HydrophobicContact CD1-CD1 3.53Å; I49-L64 HydrophobicContact CD1-CD2 4.03Å; I49-L64 HydrophobicContact CD1-CG 4.45Å; I49-L64 HydrophobicContact CG1-CD1 4.5Å; I49-L64 HydrophobicContact CG2-CD1 4.28Å; I49-L64 HydrophobicContact CG2-CD2 4.38Å; I49-Y84 HydrophobicContact CD1-CD2 4.25Å
50	S	98.6	Very high	97.6	Very high	7 Å²	7	56.3 Å²	56.3	5%	0.049	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-40	-178.8	71.5	0	0	0	0	112.3	A46 E47 G54 A55 T60	A46-S50 VanDerWaalsContact O-CB 3.23Å; A46-S50 WeakPolarHBondContact O-CB 3.42Å; A46-S50 PolarHBondContact O-N 3.15Å; A46-S50 PolarHBondContact O-OG 3.42Å; E47-S50 PolarHBondContact O-N 2.95Å; E47-S50 PolarHBondContact O-OG 3.36Å; S50-G54 PolarHBondContact O-N 2.97Å; S50-A55 PolarHBondContact O-N 3.38Å; S50-T60 WeakPolarHBondContact CB-OG1 3.38Å
51	Q	98.5	Very high	97.8	Very high	137 Å²	137	58.9 Å²	58.9	64%	0.64	34%	0.336	S	S	*	.	H	α-helix	trans	-66.3	-43.8	176.1	-69.2	174.7	5.2	0	0	111.1	E47 E48 I49 V53 G54	E47-Q51 WeakPolarHBondContact O-CG 3.23Å; E47-Q51 PolarHBondContact O-N 3.36Å; E48-Q51 PolarHBondContact O-N 2.94Å; I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 2.86Å; Q51-V53 PolarHBondContact O-N 2.86Å; Q51-G54 PolarHBondContact O-N 2.81Å
52	A	98.3	Very high	98.3	Very high	63 Å²	63	57.9 Å²	57.9	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-37.3	-179.4	0	0	0	0	0	113.3	V36 E48 I49	V36-A52 HydrophobicContact CB-CB 4.49Å; V36-A52 HydrophobicContact CG1-CB 3.69Å; V36-A52 HydrophobicContact CG2-CB 3.91Å; E48-A52 WeakPolarHBondContact O-CB 3.35Å; E48-A52 PolarHBondContact O-N 3.35Å; I49-A52 PolarHBondContact O-N 3.38Å
53	V	97.9	Very high	98.4	Very high	23 Å²	23	53 Å²	53	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-93.8	0.3	179.9	-51.8	0	0	0	0	113.6	L31 V36 I49 Q51 A55	L31-V53 HydrophobicContact CB-CB 4.33Å; L31-V53 HydrophobicContact CB-CG2 4.5Å; L31-V53 WeakPolarHBondContact O-CB 3.23Å; L31-V53 VanDerWaalsContact O-CG1 3.24Å; L31-V53 WeakPolarHBondContact O-CG1 3.43Å; V36-V53 HydrophobicContact CG2-CG1 3.84Å; I49-V53 HydrophobicContact CG2-CG1 4.38Å; I49-V53 WeakPolarHBondContact O-CG2 3.33Å; I49-V53 PolarHBondContact O-N 3.45Å; Q51-V53 PolarHBondContact O-N 2.86Å; V53-A55 HydrophobicContact CG2-CB 3.73Å
54	G	97.9	Very high	98.4	Very high	74 Å²	74	50.8 Å²	50.8	76%	0.763	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	37.6	179.8	0	0	0	0	0	114.1	S50 Q51	S50-G54 PolarHBondContact O-N 2.97Å; Q51-G54 PolarHBondContact O-N 2.81Å
55	A	98.4	Very high	98.4	Very high	33 Å²	33	52.8 Å²	52.8	27%	0.273	31%	0.311	S	S	.	.			trans	-116.1	164	-178	0	0	0	0	0	112.5	S50 V53 T60	S50-A55 PolarHBondContact O-N 3.38Å; V53-A55 HydrophobicContact CG2-CB 3.73Å; A55-T60 WeakPolarHBondContact CB-OG1 3.48Å
56	S	98.6	Very high	98.4	Very high	79 Å²	79	54.4 Å²	54.4	55%	0.552	33%	0.325	S	S	*	.			trans	-66.7	139.2	173.7	64.7	0	0	0	0	111.2	D58 G59 T60	S56-D58 PolarHBondContact O-N 2.98Å; S56-G59 PolarHBondContact O-N 3.45Å; S56-G59 PolarHBondContact OG-N 2.94Å; S56-T60 PolarHBondContact O-N 3.12Å; S56-T60 PolarHBondContact O-OG1 3.04Å; S56-T60 VanDerWaalsContact O-OG1 3.13Å
57	L	98.4	Very high	98.4	Very high	72 Å²	72	54 Å²	54	38%	0.377	32%	0.322	S	S	.	.	H	α-helix	trans	-53.6	-49.4	177	179.6	57.3	0	0	0	113.2	A46 E47 G59 T60 Q61	A46-L57 HydrophobicContact CB-CD1 4.27Å; E47-L57 HydrophobicContact CB-CD1 4.13Å; L57-G59 PolarHBondContact O-N 3.25Å; L57-T60 PolarHBondContact O-N 3.44Å; L57-Q61 HydrophobicContact CD1-CG 4.05Å; L57-Q61 HydrophobicContact CG-CG 4.44Å; L57-Q61 WeakPolarHBondContact O-CB 3.33Å; L57-Q61 VanDerWaalsContact O-CG 3.3Å; L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 2.88Å
58	D	98.5	Very high	98.4	Very high	85 Å²	85	50.3 Å²	50.3	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-47	-179.6	173.4	83.6	0	0	0	111.9	S56 T60 Q61 R62	S56-D58 PolarHBondContact O-N 2.98Å; D58-T60 PolarHBondContact O-N 3.42Å; D58-Q61 PolarHBondContact O-N 3.29Å; D58-R62 VanDerWaalsContact CG-NE 3.33Å; D58-R62 WeakPolarHBondContact O-CG 3.49Å; D58-R62 PolarHBondContact O-N 2.88Å; D58-R62 VanDerWaalsContact O-N 3.11Å; D58-R62 IonicContact OD1-CZ 3.53Å; D58-R62 IonicContact OD1-NE 2.87Å; D58-R62 PolarHBondContact OD1-NE 3.3Å; D58-R62 VanDerWaalsContact OD1-NE 3.12Å; D58-R62 IonicContact OD1-NH2 2.94Å; D58-R62 PolarHBondContact OD1-NH2 2.89Å; D58-R62 IonicContact OD2-CZ 3.81Å; D58-R62 IonicContact OD2-NE 3.5Å; D58-R62 PolarHBondContact OD2-NE 3.17Å; D58-R62 IonicContact OD2-NH2 3.43Å; D58-R62 PolarHBondContact OD2-NH2 2.72Å
59	G	98.5	Very high	98.4	Very high	31 Å²	31	50.7 Å²	50.7	32%	0.32	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-44.7	176.4	0	0	0	0	0	112.7	S56 L57 R62 L63	S56-G59 PolarHBondContact O-N 3.45Å; S56-G59 PolarHBondContact OG-N 2.94Å; L57-G59 PolarHBondContact O-N 3.25Å; G59-R62 PolarHBondContact O-N 2.8Å; G59-L63 WeakPolarHBondContact O-CB 3.07Å; G59-L63 PolarHBondContact O-N 3.49Å
60	T	98.7	Very high	98.3	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-43	177.1	-61.5	0	0	0	0	111.6	I49 S50 A55 S56 L57 D58 R62 L63 L64	I49-T60 HydrophobicContact CB-CG2 4.27Å; I49-T60 HydrophobicContact CG2-CG2 3.99Å; S50-T60 WeakPolarHBondContact CB-OG1 3.38Å; A55-T60 WeakPolarHBondContact CB-OG1 3.48Å; S56-T60 PolarHBondContact O-N 3.12Å; S56-T60 PolarHBondContact O-OG1 3.04Å; S56-T60 VanDerWaalsContact O-OG1 3.13Å; L57-T60 PolarHBondContact O-N 3.44Å; D58-T60 PolarHBondContact O-N 3.42Å; T60-R62 PolarHBondContact O-N 3Å; T60-L63 PolarHBondContact O-N 2.89Å; T60-L64 HydrophobicContact CG2-CD1 3.58Å; T60-L64 HydrophobicContact CG2-CG 4.01Å; T60-L64 WeakPolarHBondContact O-CB 3.48Å; T60-L64 WeakPolarHBondContact O-CG 3.32Å; T60-L64 PolarHBondContact O-N 3.38Å
61	Q	98.1	Very high	98.3	Very high	86 Å²	86	60.6 Å²	60.6	40%	0.402	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-47.2	176.9	-77.3	172.6	-23.5	0	0	111.9	A46 L57 D58 A65	A46-Q61 HydrophobicContact CB-CB 4.48Å; A46-Q61 HydrophobicContact CB-CG 3.48Å; A46-Q61 VanDerWaalsContact CB-CG 3.48Å; L57-Q61 HydrophobicContact CD1-CG 4.05Å; L57-Q61 HydrophobicContact CG-CG 4.44Å; L57-Q61 WeakPolarHBondContact O-CB 3.33Å; L57-Q61 VanDerWaalsContact O-CG 3.3Å; L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 2.88Å; D58-Q61 PolarHBondContact O-N 3.29Å; Q61-A65 VanDerWaalsContact O-CB 3.31Å; Q61-A65 WeakPolarHBondContact O-CB 3.48Å; Q61-A65 PolarHBondContact O-N 3.26Å
62	R	98.5	Very high	98.3	Very high	170 Å²	170	55.1 Å²	55.1	64%	0.642	35%	0.349	S	S	*	.	H	α-helix	trans	-64.3	-43	178	-65.3	170.6	-167.9	-109.1	-4	111.9	D58 G59 T60 A65 A66	D58-R62 VanDerWaalsContact CG-NE 3.33Å; D58-R62 WeakPolarHBondContact O-CG 3.49Å; D58-R62 PolarHBondContact O-N 2.88Å; D58-R62 VanDerWaalsContact O-N 3.11Å; D58-R62 IonicContact OD1-CZ 3.53Å; D58-R62 IonicContact OD1-NE 2.87Å; D58-R62 PolarHBondContact OD1-NE 3.3Å; D58-R62 VanDerWaalsContact OD1-NE 3.12Å; D58-R62 IonicContact OD1-NH2 2.94Å; D58-R62 PolarHBondContact OD1-NH2 2.89Å; D58-R62 IonicContact OD2-CZ 3.81Å; D58-R62 IonicContact OD2-NE 3.5Å; D58-R62 PolarHBondContact OD2-NE 3.17Å; D58-R62 IonicContact OD2-NH2 3.43Å; D58-R62 PolarHBondContact OD2-NH2 2.72Å; G59-R62 PolarHBondContact O-N 2.8Å; T60-R62 PolarHBondContact O-N 3Å; R62-A65 PolarHBondContact O-N 3Å; R62-A66 WeakPolarHBondContact O-CB 3.37Å; R62-A66 PolarHBondContact O-N 3.14Å
63	L	98.7	Very high	98.3	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.126	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-46.9	179	-175.1	69.2	0	0	0	111.5	T24 T27 S28 L31 V33 G59 T60 A66 C67	T24-L63 HydrophobicContact CG2-CD1 4.03Å; T27-L63 HydrophobicContact CG2-CD1 4.33Å; T27-L63 HydrophobicContact CG2-CD2 4.14Å; S28-L63 WeakPolarHBondContact OG-CD1 3.04Å; S28-L63 WeakPolarHBondContact OG-CG 3.29Å; L31-L63 HydrophobicContact CD1-CD2 3.72Å; V33-L63 HydrophobicContact CG2-CD2 4.41Å; G59-L63 WeakPolarHBondContact O-CB 3.07Å; G59-L63 PolarHBondContact O-N 3.49Å; T60-L63 PolarHBondContact O-N 2.89Å; L63-A66 PolarHBondContact O-N 3.04Å; L63-C67 PolarHBondContact O-N 3.15Å; L63-C67 PolarHBondContact O-SG 2.9Å
64	L	98.7	Very high	98.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-41.3	178.7	-67.4	172.8	0	0	0	111.8	V33 A46 I49 T60 A66 C67 A68 L73 Y84	V33-L64 HydrophobicContact CG1-CD2 3.58Å; A46-L64 HydrophobicContact CB-CD1 3.84Å; I49-L64 HydrophobicContact CB-CD1 4.25Å; I49-L64 HydrophobicContact CD1-CD1 3.53Å; I49-L64 HydrophobicContact CD1-CD2 4.03Å; I49-L64 HydrophobicContact CD1-CG 4.45Å; I49-L64 HydrophobicContact CG1-CD1 4.5Å; I49-L64 HydrophobicContact CG2-CD1 4.28Å; I49-L64 HydrophobicContact CG2-CD2 4.38Å; T60-L64 HydrophobicContact CG2-CD1 3.58Å; T60-L64 HydrophobicContact CG2-CG 4.01Å; T60-L64 WeakPolarHBondContact O-CB 3.48Å; T60-L64 WeakPolarHBondContact O-CG 3.32Å; T60-L64 PolarHBondContact O-N 3.38Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-A66 PolarHBondContact O-N 3.27Å; L64-C67 PolarHBondContact O-N 3.36Å; L64-A68 WeakPolarHBondContact O-CB 3.37Å; L64-A68 PolarHBondContact O-N 3.46Å; L64-L73 HydrophobicContact CD2-CD1 3.54Å; L64-Y84 HydrophobicContact CB-CD1 4.01Å; L64-Y84 HydrophobicContact CB-CD2 4.26Å; L64-Y84 HydrophobicContact CB-CE1 3.68Å; L64-Y84 HydrophobicContact CB-CE2 3.96Å; L64-Y84 HydrophobicContact CB-CG 4.28Å; L64-Y84 HydrophobicContact CD1-CD2 3.79Å; L64-Y84 HydrophobicContact CD1-CE2 3.85Å; L64-Y84 HydrophobicContact CD1-CG 4.31Å
65	A	98.2	Very high	98.3	Very high	52 Å²	52	55.3 Å²	55.3	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-42.6	174.3	0	0	0	0	0	111.7	Q61 R62 A68 G69	Q61-A65 VanDerWaalsContact O-CB 3.31Å; Q61-A65 WeakPolarHBondContact O-CB 3.48Å; Q61-A65 PolarHBondContact O-N 3.26Å; R62-A65 PolarHBondContact O-N 3Å; A65-A68 PolarHBondContact O-N 3.49Å; A65-G69 PolarHBondContact O-N 2.91Å
66	A	98.4	Very high	98.3	Very high	39 Å²	39	57.4 Å²	57.4	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-43.6	174.1	0	0	0	0	0	111.8	T24 R62 L63 L64 A68 G69 L70	T24-A66 HydrophobicContact CG2-CB 3.94Å; R62-A66 WeakPolarHBondContact O-CB 3.37Å; R62-A66 PolarHBondContact O-N 3.14Å; L63-A66 PolarHBondContact O-N 3.04Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-A66 PolarHBondContact O-N 3.27Å; A66-A68 VanDerWaalsContact C-N 3.32Å; A66-A68 PolarHBondContact O-N 3.41Å; A66-G69 PolarHBondContact O-N 3.37Å; A66-G69 VanDerWaalsContact O-N 3.15Å; A66-L70 WeakPolarHBondContact O-CG 3.34Å; A66-L70 PolarHBondContact O-N 3.1Å
67	C	98.6	Very high	98.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-35.2	175.5	-74.7	0	0	0	0	113.3	S28 L63 L64 L70 Q71 L72 L73	S28-C67 PolarHBondContact OG-SG 3.39Å; L63-C67 PolarHBondContact O-N 3.15Å; L63-C67 PolarHBondContact O-SG 2.9Å; L64-C67 PolarHBondContact O-N 3.36Å; C67-L70 PolarHBondContact O-N 3.07Å; C67-Q71 PolarHBondContact O-N 3.09Å; C67-L72 HydrophobicContact CB-CB 4.44Å; C67-L72 WeakPolarHBondContact O-CB 3.49Å; C67-L72 PolarHBondContact O-N 3.26Å; C67-L73 HydrophobicContact CB-CD1 3.67Å; C67-L73 HydrophobicContact CB-CG 3.87Å; C67-L73 PolarHBondContact O-N 2.82Å
68	A	98.3	Very high	97.9	Very high	22 Å²	22	63 Å²	63	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-43.5	171.3	0	0	0	0	0	111.4	L64 A65 A66 L70 Q71 T75 Y84	L64-A68 WeakPolarHBondContact O-CB 3.37Å; L64-A68 PolarHBondContact O-N 3.46Å; A65-A68 PolarHBondContact O-N 3.49Å; A66-A68 VanDerWaalsContact C-N 3.32Å; A66-A68 PolarHBondContact O-N 3.41Å; A68-L70 VanDerWaalsContact C-N 3.28Å; A68-L70 PolarHBondContact O-N 3.06Å; A68-Q71 WeakPolarHBondContact O-CA 3.36Å; A68-Q71 PolarHBondContact O-N 3.35Å; A68-T75 HydrophobicContact CB-CG2 3.55Å; A68-Y84 HydrophobicContact CB-CE1 4.35Å
69	G	97.6	Very high	97.5	Very high	63 Å²	63	66.3 Å²	66.3	65%	0.649	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-34.3	174.1	0	0	0	0	0	113.6	A65 A66 Q71	A65-G69 PolarHBondContact O-N 2.91Å; A66-G69 PolarHBondContact O-N 3.37Å; A66-G69 VanDerWaalsContact O-N 3.15Å; G69-Q71 PolarHBondContact O-N 3.47Å
70	L	97.6	Very high	97.1	Very high	57 Å²	57	67.3 Å²	67.3	30%	0.298	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.7	172	-66.6	175.5	0	0	0	113.6	I21 T24 V25 A66 C67 A68 L72	I21-L70 HydrophobicContact CB-CD2 4.5Å; I21-L70 HydrophobicContact CD1-CD2 4.46Å; I21-L70 HydrophobicContact CG1-CD2 4.2Å; I21-L70 HydrophobicContact CG2-CD1 4.1Å; I21-L70 HydrophobicContact CG2-CD2 3.73Å; T24-L70 HydrophobicContact CG2-CD1 3.78Å; V25-L70 HydrophobicContact CG2-CD1 4.35Å; A66-L70 WeakPolarHBondContact O-CG 3.34Å; A66-L70 PolarHBondContact O-N 3.1Å; C67-L70 PolarHBondContact O-N 3.07Å; A68-L70 VanDerWaalsContact C-N 3.28Å; A68-L70 PolarHBondContact O-N 3.06Å; L70-L72 HydrophobicContact CB-CD1 4.25Å; L70-L72 HydrophobicContact CB-CG 4.11Å; L70-L72 HydrophobicContact CD1-CD1 4.49Å; L70-L72 PolarHBondContact O-N 3.33Å
71	Q	98	Very high	96.9	Very high	158 Å²	158	71.1 Å²	71.1	74%	0.738	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	30.1	-179.1	-53	177.6	3.4	0	0	113.5	C67 A68 G69 T87	C67-Q71 PolarHBondContact O-N 3.09Å; A68-Q71 WeakPolarHBondContact O-CA 3.36Å; A68-Q71 PolarHBondContact O-N 3.35Å; G69-Q71 PolarHBondContact O-N 3.47Å; Q71-T87 WeakPolarHBondContact O-CG2 3.05Å
72	L	98.4	Very high	96.9	Very high	23 Å²	23	69.2 Å²	69.2	12%	0.12	38%	0.38	C	S	.	.	S	Bend	trans	-90	-26.7	172.1	-60	177.6	0	0	0	111.3	V25 F34 C67 L70 T87 S90 L94	V25-L72 HydrophobicContact CG2-CD1 3.86Å; F34-L72 HydrophobicContact CE1-CB 4.26Å; F34-L72 HydrophobicContact CZ-CD1 4.41Å; C67-L72 HydrophobicContact CB-CB 4.44Å; C67-L72 WeakPolarHBondContact O-CB 3.49Å; C67-L72 PolarHBondContact O-N 3.26Å; L70-L72 HydrophobicContact CB-CD1 4.25Å; L70-L72 HydrophobicContact CB-CG 4.11Å; L70-L72 HydrophobicContact CD1-CD1 4.49Å; L70-L72 PolarHBondContact O-N 3.33Å; L72-T87 WeakPolarHBondContact O-CG2 3.44Å; L72-T87 PolarHBondContact O-N 2.8Å; L72-T87 PolarHBondContact O-OG1 2.89Å; L72-S90 WeakPolarHBondContact O-CB 3.32Å; L72-S90 PolarHBondContact O-OG 3.03Å; L72-L94 HydrophobicContact CD1-CD1 4.27Å; L72-L94 HydrophobicContact CD2-CD1 3.99Å
73	L	98.6	Very high	96.9	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.1	178.2	-60.6	180	0	0	0	111.1	F34 L37 L64 C67 Y84 S85	F34-L73 HydrophobicContact CD1-CD2 4.02Å; F34-L73 HydrophobicContact CE1-CD2 3.97Å; F34-L73 HydrophobicContact CE1-CG 4.5Å; L37-L73 HydrophobicContact CD1-CD1 4.26Å; L37-L73 HydrophobicContact CD1-CD2 3.4Å; L37-L73 HydrophobicContact CD1-CG 4.47Å; L64-L73 HydrophobicContact CD2-CD1 3.54Å; C67-L73 HydrophobicContact CB-CD1 3.67Å; C67-L73 HydrophobicContact CB-CG 3.87Å; C67-L73 PolarHBondContact O-N 2.82Å; L73-Y84 HydrophobicContact CB-CD1 4.42Å; L73-Y84 HydrophobicContact CD1-CD1 4.17Å; L73-S85 WeakPolarHBondContact CA-O 3.47Å
74	N	98.4	Very high	96.9	Very high	75 Å²	75	62.4 Å²	62.4	40%	0.401	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.5	165.6	-67.4	-54.3	0	0	0	109.5	Y84 S85 N86	N74-Y84 WeakPolarHBondContact O-CA 3.39Å; N74-S85 PolarHBondContact N-O 2.72Å; N74-S85 PolarHBondContact O-N 3.29Å; N74-N86 PolarHBondContact ND2-O 3.45Å
75	T	98	Very high	96.8	Very high	82 Å²	82	63.6 Å²	63.6	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134	173.9	55.6	0	0	0	0	110.7	A68 V82 F83 Y84	A68-T75 HydrophobicContact CB-CG2 3.55Å; T75-V82 HydrophobicContact CG2-CG1 4.12Å; T75-F83 CarbonylContact C-O 3.57Å; T75-F83 WeakPolarHBondContact CA-O 3.28Å; T75-Y84 HydrophobicContact CG2-CD1 4Å; T75-Y84 HydrophobicContact CG2-CE1 3.8Å
76	H	97	Very high	96.9	Very high	78 Å²	78	62 Å²	62	36%	0.361	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.9	176.9	-51.1	-91.2	0	0	0	108.1	V82 F83 S85	H76-V82 WeakPolarHBondContact O-CA 3.38Å; H76-F83 HydrophobicContact CB-CB 4.3Å; H76-F83 PolarHBondContact N-O 3.32Å; H76-F83 PolarHBondContact O-N 2.75Å; H76-S85 PolarHBondContact NE2-OG 3.27Å
77	W	95.5	Very high	96.9	Very high	185 Å²	185	61.1 Å²	61.1	70%	0.701	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.9	178.1	-175.7	-93.7	0	0	0	109.7	G80 V82	W77-G80 WeakPolarHBondContact CH2-O 3.47Å; W77-G80 VanDerWaalsContact CZ2-CA 3.41Å; W77-V82 HydrophobicContact CE3-CG2 3.61Å; W77-V82 HydrophobicContact CZ3-CG2 3.53Å
78	D	93.7	Very high	96.8	Very high	84 Å²	84	69 Å²	69	45%	0.449	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	131	174.4	-177.1	25.9	0	0	0	110.3	G80 Q81 F83	D78-G80 PolarHBondContact O-N 2.88Å; D78-Q81 PolarHBondContact N-O 3.43Å; D78-Q81 PolarHBondContact O-N 2.98Å; D78-Q81 VanDerWaalsContact O-O 3.13Å; D78-F83 HydrophobicContact CB-CD2 4.16Å; D78-F83 HydrophobicContact CB-CE2 3.86Å
79	N	90.3	Very high	96.6	Very high	153 Å²	153	74.2 Å²	74.2	82%	0.818	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	38.6	176.1	-64.9	-42.6	0	0	0	116.3
80	G	90.8	Very high	96.6	Very high	53 Å²	53	71.2 Å²	71.2	55%	0.546	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	3.8	178.8	0	0	0	0	0	114.8	W77 D78	W77-G80 WeakPolarHBondContact CH2-O 3.47Å; W77-G80 VanDerWaalsContact CZ2-CA 3.41Å; D78-G80 PolarHBondContact O-N 2.88Å
81	Q	94.2	Very high	96.6	Very high	84 Å²	84	75.9 Å²	75.9	39%	0.393	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.8	-177.7	-171.7	172.2	23.3	0	0	111	S45 D78 F83	S45-Q81 VanDerWaalsContact CB-NE2 3.33Å; D78-Q81 PolarHBondContact N-O 3.43Å; D78-Q81 PolarHBondContact O-N 2.98Å; D78-Q81 VanDerWaalsContact O-O 3.13Å; Q81-F83 HydrophobicContact CB-CE2 3.84Å; Q81-F83 HydrophobicContact CB-CZ 4.21Å; Q81-F83 HydrophobicContact CG-CE2 3.95Å; Q81-F83 HydrophobicContact CG-CZ 4Å
82	V	96.9	Very high	96.5	Very high	45 Å²	45	70.4 Å²	70.4	27%	0.273	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	173.5	-173.5	0	0	0	0	109.5	T75 H76 W77 Y84	T75-V82 HydrophobicContact CG2-CG1 4.12Å; H76-V82 WeakPolarHBondContact O-CA 3.38Å; W77-V82 HydrophobicContact CE3-CG2 3.61Å; W77-V82 HydrophobicContact CZ3-CG2 3.53Å; V82-Y84 HydrophobicContact CB-CE2 4.31Å; V82-Y84 HydrophobicContact CG1-CD2 4.46Å; V82-Y84 HydrophobicContact CG1-CE1 4.12Å; V82-Y84 HydrophobicContact CG1-CE2 3.87Å
83	F	98.3	Very high	96.4	Very high	34 Å²	34	72.6 Å²	72.6	15%	0.149	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.1	170.4	-59	-97.5	0	0	0	110	P43 L44 T75 H76 D78 Q81	P43-F83 HydrophobicContact CB-CB 3.59Å; L44-F83 CarbonylContact O-C 3.53Å; L44-F83 WeakPolarHBondContact O-CA 3.35Å; T75-F83 CarbonylContact C-O 3.57Å; T75-F83 WeakPolarHBondContact CA-O 3.28Å; H76-F83 HydrophobicContact CB-CB 4.3Å; H76-F83 PolarHBondContact N-O 3.32Å; H76-F83 PolarHBondContact O-N 2.75Å; D78-F83 HydrophobicContact CB-CD2 4.16Å; D78-F83 HydrophobicContact CB-CE2 3.86Å; Q81-F83 HydrophobicContact CB-CE2 3.84Å; Q81-F83 HydrophobicContact CB-CZ 4.21Å; Q81-F83 HydrophobicContact CG-CE2 3.95Å; Q81-F83 HydrophobicContact CG-CZ 4Å
84	Y	98.6	Very high	96.3	Very high	18 Å²	18	73 Å²	73	7%	0.071	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.8	-175.5	-60.7	-91.2	0	0	0	110.3	L37 P43 L44 A46 I49 L64 A68 L73 N74 T75 V82	L37-Y84 WeakPolarHBondContact CD2-O 3.28Å; P43-Y84 CarbonylContact C-O 3.55Å; P43-Y84 WeakPolarHBondContact CA-O 3.47Å; L44-Y84 PolarHBondContact N-O 3.47Å; L44-Y84 PolarHBondContact O-N 2.92Å; A46-Y84 HydrophobicContact CB-CE2 4.29Å; I49-Y84 HydrophobicContact CD1-CD2 4.25Å; L64-Y84 HydrophobicContact CB-CD1 4.01Å; L64-Y84 HydrophobicContact CB-CD2 4.26Å; L64-Y84 HydrophobicContact CB-CE1 3.68Å; L64-Y84 HydrophobicContact CB-CE2 3.96Å; L64-Y84 HydrophobicContact CB-CG 4.28Å; L64-Y84 HydrophobicContact CD1-CD2 3.79Å; L64-Y84 HydrophobicContact CD1-CE2 3.85Å; L64-Y84 HydrophobicContact CD1-CG 4.31Å; A68-Y84 HydrophobicContact CB-CE1 4.35Å; L73-Y84 HydrophobicContact CB-CD1 4.42Å; L73-Y84 HydrophobicContact CD1-CD1 4.17Å; N74-Y84 WeakPolarHBondContact O-CA 3.39Å; T75-Y84 HydrophobicContact CG2-CD1 4Å; T75-Y84 HydrophobicContact CG2-CE1 3.8Å; V82-Y84 HydrophobicContact CB-CE2 4.31Å; V82-Y84 HydrophobicContact CG1-CD2 4.46Å; V82-Y84 HydrophobicContact CG1-CE1 4.12Å; V82-Y84 HydrophobicContact CG1-CE2 3.87Å
85	S	98.5	Very high	96.3	Very high	24 Å²	24	69.5 Å²	69.5	17%	0.168	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.2	167.4	74	0	0	0	0	110.5	L73 N74 H76	L73-S85 WeakPolarHBondContact CA-O 3.47Å; N74-S85 PolarHBondContact N-O 2.72Å; N74-S85 PolarHBondContact O-N 3.29Å; H76-S85 PolarHBondContact NE2-OG 3.27Å
86	N	98.5	Very high	96.1	Very high	20 Å²	20	72 Å²	72	11%	0.107	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	148.9	172.2	-81.1	-45.2	0	0	0	111.6	F34 L38 N74 S90 R91	F34-N86 WeakPolarHBondContact CD1-OD1 3.31Å; F34-N86 PolarHBondContact O-ND2 3.41Å; L38-N86 PolarHBondContact N-ND2 3.19Å; N74-N86 PolarHBondContact ND2-O 3.45Å; N86-S90 WeakPolarHBondContact CA-OG 3.33Å; N86-S90 VanDerWaalsContact CB-OG 3.27Å; N86-S90 WeakPolarHBondContact CB-OG 3.36Å; N86-S90 PolarHBondContact OD1-OG 2.93Å; N86-R91 HydrophobicContact CB-CB 4.11Å
87	T	98.4	Very high	95.9	Very high	19 Å²	19	72.6 Å²	72.6	12%	0.117	36%	0.36	C	S	.	.			trans	-80.9	170.7	159	57	0	0	0	0	109.6	Q71 L72 Q89 S90 R91	Q71-T87 WeakPolarHBondContact O-CG2 3.05Å; L72-T87 WeakPolarHBondContact O-CG2 3.44Å; L72-T87 PolarHBondContact O-N 2.8Å; L72-T87 PolarHBondContact O-OG1 2.89Å; T87-Q89 VanDerWaalsContact C-N 3.3Å; T87-Q89 PolarHBondContact O-N 3.4Å; T87-S90 PolarHBondContact N-OG 3.39Å; T87-S90 PolarHBondContact O-N 3.49Å; T87-S90 PolarHBondContact O-OG 3.05Å; T87-S90 PolarHBondContact OG1-N 2.99Å; T87-S90 VanDerWaalsContact OG1-N 3.13Å; T87-S90 PolarHBondContact OG1-OG 3.22Å; T87-R91 WeakPolarHBondContact O-CB 3.46Å; T87-R91 PolarHBondContact O-N 3.49Å
88	E	96.7	Very high	95.8	Very high	165 Å²	165	64.8 Å²	64.8	77%	0.771	33%	0.334	S	S	*	.	H	α-helix	trans	-59.8	-43.2	173	-172.8	177.7	-176.2	0	0	111.1	R91 V92	E88-R91 PolarHBondContact O-N 3.44Å; E88-V92 WeakPolarHBondContact O-CB 3.38Å; E88-V92 VanDerWaalsContact O-CG2 3.3Å; E88-V92 WeakPolarHBondContact O-CG2 3.46Å; E88-V92 PolarHBondContact O-N 2.84Å
89	Q	95.8	Very high	95.6	Very high	133 Å²	133	65.7 Å²	65.7	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-47.4	178.6	-68	-170.7	5.5	0	0	112.3	T87 R91 V92 F93	T87-Q89 VanDerWaalsContact C-N 3.3Å; T87-Q89 PolarHBondContact O-N 3.4Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 3.37Å; Q89-V92 PolarHBondContact O-N 3.06Å; Q89-F93 HydrophobicContact CB-CD2 4.45Å; Q89-F93 WeakPolarHBondContact O-CD2 3.35Å; Q89-F93 PolarHBondContact O-N 2.89Å
90	S	97.6	Very high	95.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-35.6	178.8	73.9	0	0	0	0	111.8	L72 N86 T87 L94 T95	L72-S90 WeakPolarHBondContact O-CB 3.32Å; L72-S90 PolarHBondContact O-OG 3.03Å; N86-S90 WeakPolarHBondContact CA-OG 3.33Å; N86-S90 VanDerWaalsContact CB-OG 3.27Å; N86-S90 WeakPolarHBondContact CB-OG 3.36Å; N86-S90 PolarHBondContact OD1-OG 2.93Å; T87-S90 PolarHBondContact N-OG 3.39Å; T87-S90 PolarHBondContact O-N 3.49Å; T87-S90 PolarHBondContact O-OG 3.05Å; T87-S90 PolarHBondContact OG1-N 2.99Å; T87-S90 VanDerWaalsContact OG1-N 3.13Å; T87-S90 PolarHBondContact OG1-OG 3.22Å; S90-L94 CarbonylContact O-C 3.54Å; S90-L94 VanDerWaalsContact O-CA 3.3Å; S90-L94 WeakPolarHBondContact O-CA 3.24Å; S90-L94 WeakPolarHBondContact O-CB 3.43Å; S90-L94 PolarHBondContact O-N 3.47Å; S90-T95 PolarHBondContact O-N 3.05Å
91	R	96.6	Very high	95.8	Very high	155 Å²	155	59.3 Å²	59.3	59%	0.585	30%	0.298	S	S	*	.	H	α-helix	trans	-61.3	-45.1	174.7	-177.4	175.1	-176.9	174.5	2.7	111.7	L38 N86 T87 E88 Q89 T95	L38-R91 HydrophobicContact CD1-CG 4.1Å; N86-R91 HydrophobicContact CB-CB 4.11Å; T87-R91 WeakPolarHBondContact O-CB 3.46Å; T87-R91 PolarHBondContact O-N 3.49Å; E88-R91 PolarHBondContact O-N 3.44Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 3.37Å; R91-T95 WeakPolarHBondContact O-CG2 3.48Å; R91-T95 PolarHBondContact O-OG1 3.04Å
92	V	96	Very high	95.8	Very high	43 Å²	43	57.6 Å²	57.6	26%	0.261	29%	0.291	S	S	.	.	H	α-helix	trans	-78.5	-42.3	-176	174.4	0	0	0	0	112.2	E88 Q89 S98 L100	E88-V92 WeakPolarHBondContact O-CB 3.38Å; E88-V92 VanDerWaalsContact O-CG2 3.3Å; E88-V92 WeakPolarHBondContact O-CG2 3.46Å; E88-V92 PolarHBondContact O-N 2.84Å; Q89-V92 PolarHBondContact O-N 3.06Å; V92-S98 WeakPolarHBondContact O-CB 3.43Å; V92-S98 PolarHBondContact O-OG 3.3Å; V92-L100 HydrophobicContact CG1-CB 4.19Å; V92-L100 HydrophobicContact CG1-CD1 3.91Å
93	F	96.6	Very high	95.6	Very high	69 Å²	69	55.8 Å²	55.8	30%	0.303	28%	0.281	S	S	.	.	H	α-helix	trans	-107.4	-18.4	-169.6	-58.7	-68.3	0	0	0	114.4	Q89 L100 L102 I166	Q89-F93 HydrophobicContact CB-CD2 4.45Å; Q89-F93 WeakPolarHBondContact O-CD2 3.35Å; Q89-F93 PolarHBondContact O-N 2.89Å; F93-L100 HydrophobicContact CD1-CB 4.12Å; F93-L100 WeakPolarHBondContact CD1-O 3.43Å; F93-L100 HydrophobicContact CE1-CB 4.09Å; F93-L100 HydrophobicContact CE1-CD1 4.28Å; F93-L102 HydrophobicContact CB-CD1 4.2Å; F93-L102 HydrophobicContact CB-CG 4.4Å; F93-L102 WeakPolarHBondContact O-CB 3.46Å; F93-L102 PolarHBondContact O-N 3.22Å; F93-I166 HydrophobicContact CD1-CD1 4.47Å
94	L	97.1	Very high	95.2	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.073	29%	0.289	C	S	.	.	S	Bend	trans	-116.1	11.6	-173.3	-51.8	179.9	0	0	0	113.8	F34 L72 S90 C103 I106	F34-L94 HydrophobicContact CB-CB 4.34Å; F34-L94 WeakPolarHBondContact CB-O 3.4Å; F34-L94 HydrophobicContact CD1-CB 4.3Å; F34-L94 HydrophobicContact CD2-CB 3.53Å; F34-L94 HydrophobicContact CD2-CD1 4.34Å; F34-L94 WeakPolarHBondContact CD2-O 3.48Å; F34-L94 HydrophobicContact CE1-CD1 3.97Å; F34-L94 HydrophobicContact CE2-CB 3.81Å; F34-L94 HydrophobicContact CE2-CD1 3.78Å; F34-L94 HydrophobicContact CE2-CG 4.37Å; F34-L94 HydrophobicContact CG-CB 3.79Å; F34-L94 HydrophobicContact CZ-CB 4.3Å; F34-L94 HydrophobicContact CZ-CD1 3.57Å; L72-L94 HydrophobicContact CD1-CD1 4.27Å; L72-L94 HydrophobicContact CD2-CD1 3.99Å; S90-L94 CarbonylContact O-C 3.54Å; S90-L94 VanDerWaalsContact O-CA 3.3Å; S90-L94 WeakPolarHBondContact O-CA 3.24Å; S90-L94 WeakPolarHBondContact O-CB 3.43Å; S90-L94 PolarHBondContact O-N 3.47Å; L94-C103 PolarHBondContact O-SG 2.78Å; L94-I106 HydrophobicContact CD2-CD1 3.42Å; L94-I106 VanDerWaalsContact CD2-CD1 3.42Å
95	T	96.5	Very high	94.8	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	29%	0.289	C	S	.	.	S	Bend	trans	-104.7	141.3	170.4	63.8	0	0	0	0	110	F34 D35 L38 S90 R91 S97 S98 S101	F34-T95 HydrophobicContact CB-CG2 4.12Å; D35-T95 WeakPolarHBondContact OD1-CA 3.39Å; L38-T95 HydrophobicContact CB-CG2 4.08Å; L38-T95 HydrophobicContact CD2-CG2 3.9Å; L38-T95 HydrophobicContact CG-CG2 4.47Å; S90-T95 PolarHBondContact O-N 3.05Å; R91-T95 WeakPolarHBondContact O-CG2 3.48Å; R91-T95 PolarHBondContact O-OG1 3.04Å; T95-S97 VanDerWaalsContact C-N 3.35Å; T95-S97 PolarHBondContact O-N 3.37Å; T95-S98 PolarHBondContact O-N 3.36Å; T95-S101 WeakPolarHBondContact O-CB 3.49Å; T95-S101 PolarHBondContact O-OG 2.92Å
96	R	94.4	Very high	94.6	Very high	134 Å²	134	57 Å²	57	51%	0.506	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-28	-174.4	-70.6	178.3	179.9	105.8	-6.9	113.3	C29 E30 G32 D35 S98 C103	C29-R96 PolarHBondContact O-NH2 2.87Å; E30-R96 PolarHBondContact O-NH2 3.23Å; G32-R96 VanDerWaalsContact CA-NH1 3.33Å; D35-R96 PolarHBondContact OD1-N 2.97Å; D35-R96 WeakPolarHBondContact OD2-CD 3.39Å; D35-R96 WeakPolarHBondContact OD2-CG 3.37Å; D35-R96 IonicContact OD2-CZ 3.75Å; D35-R96 IonicContact OD2-NE 2.93Å; D35-R96 IonicContact OD2-NH1 3.75Å; D35-R96 PolarHBondContact OD2-NH1 3.42Å; R96-S98 VanDerWaalsContact C-N 3.31Å; R96-C103 HydrophobicContact CG-CB 4.02Å
97	S	93.4	Very high	94.3	Very high	90 Å²	90	59.3 Å²	59.3	63%	0.629	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.1	179.8	56.5	0	0	0	0	113.7	L38 T95	L38-S97 WeakPolarHBondContact CD2-OG 3.48Å; T95-S97 VanDerWaalsContact C-N 3.35Å; T95-S97 PolarHBondContact O-N 3.37Å
98	S	93.7	Very high	94	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.154	29%	0.292	C	S	.	.	S	Bend	trans	-70.6	135.9	178.9	177.5	0	0	0	0	111.6	V92 T95 R96 L100 S101	V92-S98 WeakPolarHBondContact O-CB 3.43Å; V92-S98 PolarHBondContact O-OG 3.3Å; T95-S98 PolarHBondContact O-N 3.36Å; R96-S98 VanDerWaalsContact C-N 3.31Å; S98-L100 PolarHBondContact O-N 3.48Å; S98-L100 PolarHBondContact OG-N 3.24Å; S98-S101 WeakPolarHBondContact O-CB 3.41Å; S98-S101 PolarHBondContact O-N 2.89Å; S98-S101 VanDerWaalsContact O-N 3.07Å
99	P	87.9	Confident	93.9	Very high	103 Å²	103	52.2 Å²	52.2	67%	0.669	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.5	172.9	27.7	-34.9	0	0	0	113.2	N165	P99-N165 PolarHBondContact O-ND2 2.77Å; P99-N165 VanDerWaalsContact O-ND2 3.12Å
100	L	91.5	Very high	93.8	Very high	60 Å²	60	46.4 Å²	46.4	31%	0.314	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	15.6	176.3	-59.8	179.8	0	0	0	112.5	V92 F93 S98 L102 N165	V92-L100 HydrophobicContact CG1-CB 4.19Å; V92-L100 HydrophobicContact CG1-CD1 3.91Å; F93-L100 HydrophobicContact CD1-CB 4.12Å; F93-L100 WeakPolarHBondContact CD1-O 3.43Å; F93-L100 HydrophobicContact CE1-CB 4.09Å; F93-L100 HydrophobicContact CE1-CD1 4.28Å; S98-L100 PolarHBondContact O-N 3.48Å; S98-L100 PolarHBondContact OG-N 3.24Å; L100-L102 PolarHBondContact O-N 3.28Å; L100-N165 HydrophobicContact CD2-CB 4.24Å; L100-N165 WeakPolarHBondContact CD2-O 3.2Å
101	S	93.9	Very high	93.6	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.084	26%	0.255	C	S	.	.			trans	-60.1	134.4	-176.7	-167.3	0	0	0	0	112.9	T95 S98 C103 S162	T95-S101 WeakPolarHBondContact O-CB 3.49Å; T95-S101 PolarHBondContact O-OG 2.92Å; S98-S101 WeakPolarHBondContact O-CB 3.41Å; S98-S101 PolarHBondContact O-N 2.89Å; S98-S101 VanDerWaalsContact O-N 3.07Å; S101-C103 PolarHBondContact OG-N 2.85Å; S101-S162 WeakPolarHBondContact O-CB 3.47Å; S101-S162 PolarHBondContact O-OG 3.16Å
102	L	94.5	Very high	93.4	Very high	48 Å²	48	43.5 Å²	43.5	25%	0.251	23%	0.228	S	C	.	.			trans	-100.9	0.8	170.4	-67	178.6	0	0	0	112.3	F93 L100 Q104 S105 I106 I166	F93-L102 HydrophobicContact CB-CD1 4.2Å; F93-L102 HydrophobicContact CB-CG 4.4Å; F93-L102 WeakPolarHBondContact O-CB 3.46Å; F93-L102 PolarHBondContact O-N 3.22Å; L100-L102 PolarHBondContact O-N 3.28Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 3.37Å; L102-S105 WeakPolarHBondContact O-CB 3.36Å; L102-S105 PolarHBondContact O-N 3.34Å; L102-S105 VanDerWaalsContact O-N 3.08Å; L102-I106 HydrophobicContact CB-CD1 4.15Å; L102-I106 WeakPolarHBondContact O-CB 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 2.73Å; L102-I166 HydrophobicContact CD1-CD1 4.28Å; L102-I166 HydrophobicContact CD2-CD1 3.5Å; L102-I166 HydrophobicContact CG-CD1 4.05Å
103	C	93.4	Very high	93.3	Very high	7 Å²	7	43 Å²	43	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-55.6	-43.5	-174.4	-74.5	0	0	0	0	113.3	L94 R96 S101 I106 Q107	L94-C103 PolarHBondContact O-SG 2.78Å; R96-C103 HydrophobicContact CG-CB 4.02Å; S101-C103 PolarHBondContact OG-N 2.85Å; C103-I106 PolarHBondContact O-N 3.28Å; C103-Q107 PolarHBondContact O-N 2.73Å
104	Q	89.6	Confident	93.3	Very high	71 Å²	71	43.1 Å²	43.1	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-71.6	-36.7	179.3	-64.5	175.4	-49.3	0	0	111.8	L102 I106 Q107 Y108 H158	L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 3.37Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; Q104-I106 PolarHBondContact O-N 3.47Å; Q104-Q107 WeakPolarHBondContact O-CB 3.33Å; Q104-Q107 PolarHBondContact O-N 3.02Å; Q104-Y108 PolarHBondContact O-N 3.01Å; Q104-H158 HydrophobicContact CB-CB 3.65Å; Q104-H158 HydrophobicContact CG-CB 4.27Å; Q104-H158 PolarHBondContact NE2-CD2 3.08Å; Q104-H158 PolarHBondContact NE2-CE1 2.9Å; Q104-H158 PolarHBondContact NE2-ND1 3.45Å; Q104-H158 PolarHBondContact NE2-NE2 2.78Å; Q104-H158 VanDerWaalsContact NE2-NE2 3.11Å; Q104-H158 PolarHBondContact OE1-CE1 2.99Å; Q104-H158 PolarHBondContact OE1-ND1 3.25Å
105	S	91	Very high	93.2	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-41.1	172.6	-64.5	0	0	0	0	112	L102 Y108 S109 S162	L102-S105 WeakPolarHBondContact O-CB 3.36Å; L102-S105 PolarHBondContact O-N 3.34Å; L102-S105 VanDerWaalsContact O-N 3.08Å; S105-Y108 PolarHBondContact O-N 3.25Å; S105-S109 WeakPolarHBondContact O-CB 3.32Å; S105-S109 PolarHBondContact O-N 3.03Å; S105-S109 PolarHBondContact O-OG 3.45Å; S105-S162 WeakPolarHBondContact OG-CB 3.42Å; S105-S162 PolarHBondContact OG-OG 3Å
106	I	94.1	Very high	93.1	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-41.7	175.1	-76	166.2	0	0	0	110.7	V25 F26 C29 L94 L102 C103 Q104 S109 S110	V25-I106 HydrophobicContact CG1-CD1 4.05Å; F26-I106 HydrophobicContact CB-CG2 4.36Å; F26-I106 HydrophobicContact CD1-CG2 3.56Å; F26-I106 HydrophobicContact CE1-CG2 4.26Å; F26-I106 HydrophobicContact CG-CG2 4.26Å; C29-I106 HydrophobicContact CB-CG2 3.82Å; L94-I106 HydrophobicContact CD2-CD1 3.42Å; L94-I106 VanDerWaalsContact CD2-CD1 3.42Å; L102-I106 HydrophobicContact CB-CD1 4.15Å; L102-I106 WeakPolarHBondContact O-CB 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 2.73Å; C103-I106 PolarHBondContact O-N 3.28Å; Q104-I106 VanDerWaalsContact C-N 3.33Å; Q104-I106 PolarHBondContact O-N 3.47Å; I106-S109 WeakPolarHBondContact O-CB 3.17Å; I106-S109 PolarHBondContact O-N 2.76Å; I106-S110 WeakPolarHBondContact O-CB 3.14Å; I106-S110 PolarHBondContact O-N 3.26Å
107	Q	91.8	Very high	93.2	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-44.9	176.1	-171.8	-178.8	7.4	0	0	111.6	C103 Q104 S109 S110 R111	C103-Q107 PolarHBondContact O-N 2.73Å; Q104-Q107 WeakPolarHBondContact O-CB 3.33Å; Q104-Q107 PolarHBondContact O-N 3.02Å; Q107-S109 VanDerWaalsContact C-N 3.34Å; Q107-S110 PolarHBondContact O-N 3.39Å; Q107-R111 WeakPolarHBondContact O-CB 3.42Å; Q107-R111 PolarHBondContact O-N 3.31Å
108	Y	92.6	Very high	93.4	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-42	174.4	-176.8	-88.8	0	0	0	111.6	Q104 S105 S110 R111 T112 I113 L146 K155 F156 L159	Q104-Y108 PolarHBondContact O-N 3.01Å; S105-Y108 PolarHBondContact O-N 3.25Å; Y108-S110 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 2.87Å; Y108-R111 PolarHBondContact O-N 3.41Å; Y108-T112 HydrophobicContact CE1-CG2 4.19Å; Y108-T112 HydrophobicContact CE2-CG2 4.09Å; Y108-T112 WeakPolarHBondContact O-CB 3.47Å; Y108-T112 PolarHBondContact O-N 2.85Å; Y108-I113 HydrophobicContact CD1-CD1 3.93Å; Y108-I113 HydrophobicContact CD1-CG1 3.85Å; Y108-I113 HydrophobicContact CE1-CD1 3.92Å; Y108-I113 HydrophobicContact CE1-CG1 3.64Å; Y108-I113 PolarHBondContact O-N 3.07Å; Y108-L146 WeakPolarHBondContact OH-CD1 3.4Å; Y108-K155 HydrophobicContact CD2-CB 3.98Å; Y108-F156 HydrophobicContact CD2-CB 4.38Å; Y108-F156 HydrophobicContact CE1-CD2 4.47Å; Y108-F156 HydrophobicContact CE2-CB 3.88Å; Y108-F156 HydrophobicContact CE2-CD2 4.11Å; Y108-F156 AromaticContact CZ-CD2 3.82Å; Y108-L159 HydrophobicContact CD1-CD2 3.56Å; Y108-L159 HydrophobicContact CE1-CD2 3.75Å; Y108-L159 HydrophobicContact CG-CB 4.5Å; Y108-L159 HydrophobicContact CG-CD2 4.28Å
109	S	93.8	Very high	93.6	Very high	29 Å²	29	48.2 Å²	48.2	20%	0.203	24%	0.235	C	C	.	.	I	π-helix	trans	-59.7	-43.3	175.7	-59.7	0	0	0	0	111.9	S105 I106 Q107 I113 Y114	S105-S109 WeakPolarHBondContact O-CB 3.32Å; S105-S109 PolarHBondContact O-N 3.03Å; S105-S109 PolarHBondContact O-OG 3.45Å; I106-S109 WeakPolarHBondContact O-CB 3.17Å; I106-S109 PolarHBondContact O-N 2.76Å; Q107-S109 VanDerWaalsContact C-N 3.34Å; S109-I113 PolarHBondContact O-N 3.03Å; S109-Y114 VanDerWaalsContact O-CB 3.28Å; S109-Y114 WeakPolarHBondContact O-CB 3.45Å; S109-Y114 PolarHBondContact O-N 3.46Å
110	S	94.4	Very high	94.1	Very high	11 Å²	11	45.2 Å²	45.2	8%	0.077	21%	0.213	C	C	.	.	I	π-helix	trans	-67.8	-43.1	179.5	-172.2	0	0	0	0	113.2	F26 I106 Q107 Y108	F26-S110 VanDerWaalsContact CD2-CA 3.48Å; I106-S110 WeakPolarHBondContact O-CB 3.14Å; I106-S110 PolarHBondContact O-N 3.26Å; Q107-S110 PolarHBondContact O-N 3.39Å; Y108-S110 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 2.87Å
111	R	91.8	Very high	94.4	Very high	93 Å²	93	46.3 Å²	46.3	35%	0.351	22%	0.222	S	C	.	.	I	π-helix	trans	-94	-16.9	-170.2	-66.7	-170.5	176.3	-172.2	0.3	114.3	E30 Q107 Y108 L115	E30-R111 IonicContact OE1-CZ 2.81Å; E30-R111 IonicContact OE1-NE 3.77Å; E30-R111 IonicContact OE1-NH2 3.73Å; E30-R111 PolarHBondContact OE1-NH2 3.46Å; Q107-R111 WeakPolarHBondContact O-CB 3.42Å; Q107-R111 PolarHBondContact O-N 3.31Å; Y108-R111 PolarHBondContact O-N 3.41Å; R111-L115 WeakPolarHBondContact O-CD1 3.36Å
112	T	92.6	Very high	94.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.228	C	C	.	.	I	π-helix	trans	-124.1	-65.4	-179.3	-64.8	0	0	0	0	111.4	Y108 Y114 L115 C116 F135 R148 E152	Y108-T112 HydrophobicContact CE1-CG2 4.19Å; Y108-T112 HydrophobicContact CE2-CG2 4.09Å; Y108-T112 WeakPolarHBondContact O-CB 3.47Å; Y108-T112 PolarHBondContact O-N 2.85Å; T112-Y114 PolarHBondContact O-N 3.29Å; T112-L115 PolarHBondContact O-N 3.12Å; T112-L115 VanDerWaalsContact O-N 3.15Å; T112-C116 PolarHBondContact O-N 3.44Å; T112-C116 PolarHBondContact O-SG 3.43Å; T112-C116 VanDerWaalsContact O-SG 3.38Å; T112-F135 HydrophobicContact CG2-CE2 4.29Å; T112-F135 HydrophobicContact CG2-CZ 3.97Å; T112-R148 PolarHBondContact OG1-NH2 3.25Å; T112-R148 VanDerWaalsContact OG1-NH2 3.11Å; T112-E152 PolarHBondContact OG1-OE2 2.91Å; T112-E152 VanDerWaalsContact OG1-OE2 3.07Å
113	I	94.6	Very high	94.8	Very high	33 Å²	33	45.2 Å²	45.2	17%	0.169	22%	0.216	C	C	.	.	I	π-helix	trans	-58.8	-50.1	-173.1	-55.8	-175.4	0	0	0	111.3	Y108 S109 L115 C116 W117 N302	Y108-I113 HydrophobicContact CD1-CD1 3.93Å; Y108-I113 HydrophobicContact CD1-CG1 3.85Å; Y108-I113 HydrophobicContact CE1-CD1 3.92Å; Y108-I113 HydrophobicContact CE1-CG1 3.64Å; Y108-I113 PolarHBondContact O-N 3.07Å; S109-I113 PolarHBondContact O-N 3.03Å; I113-L115 VanDerWaalsContact C-N 3.26Å; I113-L115 PolarHBondContact O-N 3.3Å; I113-C116 PolarHBondContact O-N 3.11Å; I113-C116 VanDerWaalsContact O-N 3.14Å; I113-W117 VanDerWaalsContact CG2-CD1 3.43Å; I113-W117 HydrophobicContact CG2-CG 4.46Å; I113-W117 WeakPolarHBondContact O-CB 3.21Å; I113-W117 PolarHBondContact O-N 2.93Å; I113-N302 WeakPolarHBondContact CG2-OD1 3.28Å
114	Y	95.7	Very high	95	Very high	71 Å²	71	49.2 Å²	49.2	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-37	-178.6	-169.2	-81.7	0	0	0	112.3	F19 K23 F26 S109 T112 W117 H118	F19-Y114 HydrophobicContact CB-CE2 4.19Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.45Å; K23-Y114 HydrophobicContact CD-CD1 4.4Å; K23-Y114 HydrophobicContact CD-CD2 4.28Å; K23-Y114 HydrophobicContact CD-CE1 4.08Å; K23-Y114 HydrophobicContact CD-CE2 3.92Å; K23-Y114 HydrophobicContact CG-CE2 3.91Å; F26-Y114 AromaticContact CE2-CD2 3.94Å; F26-Y114 HydrophobicContact CE2-CD2 3.94Å; F26-Y114 HydrophobicContact CE2-CG 4.43Å; S109-Y114 VanDerWaalsContact O-CB 3.28Å; S109-Y114 WeakPolarHBondContact O-CB 3.45Å; S109-Y114 PolarHBondContact O-N 3.46Å; T112-Y114 PolarHBondContact O-N 3.29Å; Y114-W117 PolarHBondContact O-N 3.46Å; Y114-H118 PolarHBondContact O-N 2.95Å
115	L	95.2	Very high	95.4	Very high	79 Å²	79	54.9 Å²	54.9	41%	0.414	26%	0.258	S	S	.	.	H	α-helix	trans	-72.1	-36.9	177.6	-63.8	-173.7	0	0	0	112.1	R111 T112 I113 H118 F135	R111-L115 WeakPolarHBondContact O-CD1 3.36Å; T112-L115 PolarHBondContact O-N 3.12Å; T112-L115 VanDerWaalsContact O-N 3.15Å; I113-L115 VanDerWaalsContact C-N 3.26Å; I113-L115 PolarHBondContact O-N 3.3Å; L115-H118 VanDerWaalsContact O-CB 3.28Å; L115-H118 WeakPolarHBondContact O-CB 3.32Å; L115-H118 PolarHBondContact O-N 3.49Å; L115-F135 HydrophobicContact CB-CE1 4.21Å; L115-F135 HydrophobicContact CB-CZ 4.19Å; L115-F135 HydrophobicContact CD1-CE1 3.99Å
116	C	95.1	Very high	95.7	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-42.2	172.3	-59.1	0	0	0	0	111.5	T112 I113 H118 Y119 F135 V305 Q306	T112-C116 PolarHBondContact O-N 3.44Å; T112-C116 PolarHBondContact O-SG 3.43Å; T112-C116 VanDerWaalsContact O-SG 3.38Å; I113-C116 PolarHBondContact O-N 3.11Å; I113-C116 VanDerWaalsContact O-N 3.14Å; C116-H118 PolarHBondContact O-N 3.24Å; C116-Y119 PolarHBondContact O-N 3.07Å; C116-F135 WeakPolarHBondContact SG-CE2 3.37Å; C116-V305 HydrophobicContact CB-CG1 3.41Å; C116-V305 VanDerWaalsContact CB-CG1 3.41Å; C116-V305 WeakPolarHBondContact O-CG1 3.41Å; C116-Q306 HydrophobicContact CB-CG 4.13Å
117	W	97.3	Very high	95.8	Very high	78 Å²	78	59.8 Å²	59.8	30%	0.295	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-23.6	179.1	-86.9	69.6	0	0	0	113.2	I113 Y114 Y119 L120 L298 L301 N302	I113-W117 VanDerWaalsContact CG2-CD1 3.43Å; I113-W117 HydrophobicContact CG2-CG 4.46Å; I113-W117 WeakPolarHBondContact O-CB 3.21Å; I113-W117 PolarHBondContact O-N 2.93Å; Y114-W117 PolarHBondContact O-N 3.46Å; W117-Y119 PolarHBondContact O-N 3.11Å; W117-Y119 VanDerWaalsContact O-N 3.17Å; W117-L120 HydrophobicContact CE3-CD2 3.88Å; W117-L120 HydrophobicContact CZ3-CD2 3.81Å; W117-L120 VanDerWaalsContact O-CB 3.29Å; W117-L120 WeakPolarHBondContact O-CB 3.45Å; W117-L120 PolarHBondContact O-N 2.93Å; W117-L298 HydrophobicContact CH2-CD2 4.04Å; W117-L301 HydrophobicContact CH2-CB 4.09Å; W117-L301 HydrophobicContact CH2-CD1 4.46Å; W117-L301 HydrophobicContact CZ2-CB 4.29Å; W117-N302 HydrophobicContact CZ2-CB 4.14Å; W117-N302 PolarHBondContact NE1-OD1 3.3Å
118	H	97	Very high	95.9	Very high	140 Å²	140	61.9 Å²	61.9	65%	0.648	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-33.3	168.3	-176.8	68.4	0	0	0	112.2	Y114 L115 C116	Y114-H118 PolarHBondContact O-N 2.95Å; L115-H118 VanDerWaalsContact O-CB 3.28Å; L115-H118 WeakPolarHBondContact O-CB 3.32Å; L115-H118 PolarHBondContact O-N 3.49Å; C116-H118 PolarHBondContact O-N 3.24Å
119	Y	97.6	Very high	96	Very high	72 Å²	72	62.1 Å²	62.1	28%	0.282	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	16.5	-179.6	-62	-77.5	0	0	0	113.9	C116 W117 T121 D122 A123 K133 A134	C116-Y119 PolarHBondContact O-N 3.07Å; W117-Y119 PolarHBondContact O-N 3.11Å; W117-Y119 VanDerWaalsContact O-N 3.17Å; Y119-T121 PolarHBondContact O-N 3.26Å; Y119-D122 WeakPolarHBondContact O-CB 3.1Å; Y119-D122 PolarHBondContact O-N 3.41Å; Y119-A123 PolarHBondContact O-N 3.28Å; Y119-K133 HydrophobicContact CD1-CB 3.95Å; Y119-K133 HydrophobicContact CD1-CD 4Å; Y119-K133 HydrophobicContact CD2-CB 4.14Å; Y119-K133 HydrophobicContact CE1-CB 3.98Å; Y119-K133 HydrophobicContact CE1-CD 4.41Å; Y119-K133 HydrophobicContact CE2-CB 4.17Å; Y119-K133 WeakPolarHBondContact CE2-O 3.22Å; Y119-K133 HydrophobicContact CG-CB 4.01Å; Y119-K133 PolarHBondContact OH-O 2.97Å; Y119-A134 HydrophobicContact CD2-CB 4.1Å; Y119-A134 HydrophobicContact CE2-CB 4.17Å
120	L	98.1	Very high	96.1	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-53.9	-39.5	-179.6	173	63.2	0	0	0	112.9	W117 D122 A123 V124 L301 V305	W117-L120 HydrophobicContact CE3-CD2 3.88Å; W117-L120 HydrophobicContact CZ3-CD2 3.81Å; W117-L120 VanDerWaalsContact O-CB 3.29Å; W117-L120 WeakPolarHBondContact O-CB 3.45Å; W117-L120 PolarHBondContact O-N 2.93Å; L120-D122 PolarHBondContact O-N 3.07Å; L120-A123 WeakPolarHBondContact O-CB 3.09Å; L120-A123 PolarHBondContact O-N 3.07Å; L120-A123 VanDerWaalsContact O-N 3.14Å; L120-V124 HydrophobicContact CD1-CG2 3.98Å; L120-V124 HydrophobicContact CG-CG2 4.39Å; L120-V124 WeakPolarHBondContact O-CG2 3.49Å; L120-V124 PolarHBondContact O-N 3.18Å; L120-L301 HydrophobicContact CD1-CD2 4.45Å; L120-V305 HydrophobicContact CB-CG2 4.29Å; L120-V305 HydrophobicContact CD1-CG2 3.43Å; L120-V305 VanDerWaalsContact CD1-CG2 3.43Å; L120-V305 HydrophobicContact CG-CG2 4.45Å
121	T	98.3	Very high	96	Very high	83 Å²	83	60.4 Å²	60.4	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-40.7	178.6	-59.7	0	0	0	0	111.6	Y119 R125	Y119-T121 PolarHBondContact O-N 3.26Å; T121-R125 WeakPolarHBondContact O-CG 3.49Å; T121-R125 PolarHBondContact O-N 2.69Å; T121-R125 VanDerWaalsContact O-N 3.17Å
122	D	98.1	Very high	96.1	Very high	37 Å²	37	61.1 Å²	61.1	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-73.2	-39	177.7	-68.5	-27.4	0	0	0	111.2	Y119 L120 V124 R125 E126 K133	Y119-D122 WeakPolarHBondContact O-CB 3.1Å; Y119-D122 PolarHBondContact O-N 3.41Å; L120-D122 PolarHBondContact O-N 3.07Å; D122-V124 VanDerWaalsContact C-N 3.27Å; D122-V124 PolarHBondContact O-N 3.13Å; D122-R125 PolarHBondContact O-N 2.93Å; D122-R125 VanDerWaalsContact O-N 3.15Å; D122-R125 IonicContact OD1-NH1 3.71Å; D122-E126 WeakPolarHBondContact O-CB 3.45Å; D122-E126 WeakPolarHBondContact O-CG 3.47Å; D122-E126 PolarHBondContact O-N 3.35Å; D122-K133 IonicContact OD1-NZ 2.67Å; D122-K133 IonicContact OD2-NZ 3.12Å; D122-K133 PolarHBondContact OD2-NZ 2.58Å
123	A	97.9	Very high	96.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-43	174.6	0	0	0	0	0	111.6	Y119 L120 G127 R128 Q130 L304 V305	Y119-A123 PolarHBondContact O-N 3.28Å; L120-A123 WeakPolarHBondContact O-CB 3.09Å; L120-A123 PolarHBondContact O-N 3.07Å; L120-A123 VanDerWaalsContact O-N 3.14Å; A123-G127 WeakPolarHBondContact O-CA 3.42Å; A123-G127 PolarHBondContact O-N 3.08Å; A123-R128 WeakPolarHBondContact CA-O 3.44Å; A123-Q130 HydrophobicContact CB-CG 3.6Å; A123-L304 HydrophobicContact CB-CG 4.27Å; A123-V305 HydrophobicContact CB-CG2 3.79Å
124	V	98.3	Very high	96.2	Very high	91 Å²	91	64.2 Å²	64.2	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-66.8	-39.3	177.3	171.8	0	0	0	0	111.9	L120 D122 L304	L120-V124 HydrophobicContact CD1-CG2 3.98Å; L120-V124 HydrophobicContact CG-CG2 4.39Å; L120-V124 WeakPolarHBondContact O-CG2 3.49Å; L120-V124 PolarHBondContact O-N 3.18Å; D122-V124 VanDerWaalsContact C-N 3.27Å; D122-V124 PolarHBondContact O-N 3.13Å; V124-L304 HydrophobicContact CG2-CD2 4.2Å
125	R	98.2	Very high	96.1	Very high	190 Å²	190	63 Å²	63	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-70.3	-40.4	178.9	-75.6	172.4	178.4	153.8	-0.2	112.6	T121 D122	T121-R125 WeakPolarHBondContact O-CG 3.49Å; T121-R125 PolarHBondContact O-N 2.69Å; T121-R125 VanDerWaalsContact O-N 3.17Å; D122-R125 PolarHBondContact O-N 2.93Å; D122-R125 VanDerWaalsContact O-N 3.15Å; D122-R125 IonicContact OD1-NH1 3.71Å
126	E	97.3	Very high	95.9	Very high	77 Å²	77	62.5 Å²	62.5	36%	0.36	32%	0.322	S	S	.	.	H	α-helix	trans	-95.6	-17.7	-170.7	-61	177.9	-140.9	0	0	112.6	D122 R128 K133	D122-E126 WeakPolarHBondContact O-CB 3.45Å; D122-E126 WeakPolarHBondContact O-CG 3.47Å; D122-E126 PolarHBondContact O-N 3.35Å; E126-R128 HydrophobicContact CB-CG 3.94Å; E126-R128 IonicContact OE2-CZ 2.74Å; E126-R128 IonicContact OE2-NE 2.7Å; E126-R128 PolarHBondContact OE2-NE 3.45Å; E126-R128 IonicContact OE2-NH2 3.15Å; E126-R128 PolarHBondContact OE2-NH2 2.66Å; E126-K133 IonicContact OE1-NZ 2.81Å; E126-K133 PolarHBondContact OE1-NZ 3.34Å
127	G	95.8	Very high	95.7	Very high	56 Å²	56	64.6 Å²	64.6	58%	0.577	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	29.1	179.9	0	0	0	0	0	113.9	A123	A123-G127 WeakPolarHBondContact O-CA 3.42Å; A123-G127 PolarHBondContact O-N 3.08Å
128	R	94.4	Very high	95.3	Very high	112 Å²	112	63.9 Å²	63.9	42%	0.423	34%	0.342	S	S	.	.	S	Bend	trans	-148.1	165.5	-175.7	67.8	-173.7	-174.7	107.5	-1.7	112.2	A123 E126 Q130 L304	A123-R128 WeakPolarHBondContact CA-O 3.44Å; E126-R128 HydrophobicContact CB-CG 3.94Å; E126-R128 IonicContact OE2-CZ 2.74Å; E126-R128 IonicContact OE2-NE 2.7Å; E126-R128 PolarHBondContact OE2-NE 3.45Å; E126-R128 IonicContact OE2-NH2 3.15Å; E126-R128 PolarHBondContact OE2-NH2 2.66Å; R128-Q130 PolarHBondContact O-OE1 3.18Å; R128-L304 CarbonylContact C-O 3.58Å
129	N	95.1	Very high	94.7	Very high	11 Å²	11	58 Å²	58	6%	0.059	32%	0.316	C	S	.	.			trans	-70	156.9	178.5	69.8	72.2	0	0	0	113.4	S139 L304 V305 T307	N129-S139 WeakPolarHBondContact OD1-CB 3.48Å; N129-S139 PolarHBondContact OD1-OG 3.19Å; N129-L304 WeakPolarHBondContact CA-O 3.42Å; N129-L304 PolarHBondContact N-O 2.73Å; N129-V305 WeakPolarHBondContact CA-O 3.29Å; N129-V305 WeakPolarHBondContact CB-O 3.03Å; N129-T307 WeakPolarHBondContact CB-O 3.18Å; N129-T307 PolarHBondContact ND2-O 2.69Å
130	Q	95.6	Very high	94	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.009	34%	0.343	C	S	.	.			trans	-115.1	23	-169.3	-53.2	-60.1	92.7	0	0	113.8	A123 R128 E132 K133 A134 V305	A123-Q130 HydrophobicContact CB-CG 3.6Å; R128-Q130 PolarHBondContact O-OE1 3.18Å; Q130-E132 VanDerWaalsContact C-N 3.27Å; Q130-E132 PolarHBondContact O-N 3.25Å; Q130-K133 PolarHBondContact O-N 2.67Å; Q130-A134 WeakPolarHBondContact O-CB 3.32Å; Q130-A134 PolarHBondContact O-N 2.93Å; Q130-V305 PolarHBondContact N-O 2.95Å
131	Y	93.2	Very high	93.5	Very high	2 Å²	2	66 Å²	66	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-57.5	-38	179.1	-94.2	-91.7	0	0	0	113.1	A134 F135 A145 L146 Q306	Y131-A134 PolarHBondContact O-N 3.02Å; Y131-F135 AromaticContact CD1-CD2 3.52Å; Y131-F135 HydrophobicContact CD1-CD2 3.52Å; Y131-F135 AromaticContact CD1-CE2 3.74Å; Y131-F135 HydrophobicContact CD1-CE2 3.74Å; Y131-F135 AromaticContact CE1-CD2 3.99Å; Y131-F135 HydrophobicContact CE1-CD2 3.99Å; Y131-F135 AromaticContact CE1-CE2 3.78Å; Y131-F135 HydrophobicContact CE1-CE2 3.78Å; Y131-F135 HydrophobicContact CG-CD2 4.29Å; Y131-F135 HydrophobicContact CG-CE2 4.49Å; Y131-F135 PolarHBondContact O-N 3.2Å; Y131-A145 HydrophobicContact CD1-CB 4.11Å; Y131-A145 HydrophobicContact CG-CB 4.23Å; Y131-L146 WeakPolarHBondContact OH-CD1 3.15Å; Y131-Q306 WeakPolarHBondContact CD2-O 3.27Å; Y131-Q306 HydrophobicContact CE2-CB 3.81Å; Y131-Q306 HydrophobicContact CE2-CG 4.13Å; Y131-Q306 WeakPolarHBondContact CE2-O 3.44Å; Y131-Q306 PolarHBondContact OH-OE1 3.21Å
132	E	93.5	Very high	92.9	Very high	109 Å²	109	62.3 Å²	62.3	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-42.6	178.3	-171.4	176.5	-169.6	0	0	111.5	Q130 G136 V137	Q130-E132 VanDerWaalsContact C-N 3.27Å; Q130-E132 PolarHBondContact O-N 3.25Å; E132-G136 WeakPolarHBondContact O-CA 3.42Å; E132-G136 PolarHBondContact O-N 2.94Å; E132-V137 VanDerWaalsContact CA-O 3.23Å; E132-V137 WeakPolarHBondContact CA-O 3.43Å; E132-V137 PolarHBondContact N-O 3.21Å
133	K	93.9	Very high	92.2	Very high	77 Å²	77	62 Å²	62	34%	0.335	33%	0.329	S	S	.	.	H	α-helix	trans	-70.9	-37.2	175.8	-67.9	-172.1	-179.9	178.7	0	112.3	Y119 D122 E126 Q130	Y119-K133 HydrophobicContact CD1-CB 3.95Å; Y119-K133 HydrophobicContact CD1-CD 4Å; Y119-K133 HydrophobicContact CD2-CB 4.14Å; Y119-K133 HydrophobicContact CE1-CB 3.98Å; Y119-K133 HydrophobicContact CE1-CD 4.41Å; Y119-K133 HydrophobicContact CE2-CB 4.17Å; Y119-K133 WeakPolarHBondContact CE2-O 3.22Å; Y119-K133 HydrophobicContact CG-CB 4.01Å; Y119-K133 PolarHBondContact OH-O 2.97Å; D122-K133 IonicContact OD1-NZ 2.67Å; D122-K133 IonicContact OD2-NZ 3.12Å; D122-K133 PolarHBondContact OD2-NZ 2.58Å; E126-K133 IonicContact OE1-NZ 2.81Å; E126-K133 PolarHBondContact OE1-NZ 3.34Å; Q130-K133 PolarHBondContact O-N 2.67Å
134	A	94.1	Very high	91.7	Very high	21 Å²	21	68.2 Å²	68.2	17%	0.174	36%	0.358	C	S	.	.	H	α-helix	trans	-76	-36	-176.9	0	0	0	0	0	113.6	Y119 Q130 Y131	Y119-A134 HydrophobicContact CD2-CB 4.1Å; Y119-A134 HydrophobicContact CE2-CB 4.17Å; Q130-A134 WeakPolarHBondContact O-CB 3.32Å; Q130-A134 PolarHBondContact O-N 2.93Å; Y131-A134 PolarHBondContact O-N 3.02Å
135	F	93.3	Very high	91.1	Very high	47 Å²	47	63.9 Å²	63.9	21%	0.206	33%	0.332	C	S	.	.	H	α-helix	trans	-133.3	-2.6	-170.7	-50.8	-71.4	0	0	0	114.8	T112 L115 C116 Y131 V137	T112-F135 HydrophobicContact CG2-CE2 4.29Å; T112-F135 HydrophobicContact CG2-CZ 3.97Å; L115-F135 HydrophobicContact CB-CE1 4.21Å; L115-F135 HydrophobicContact CB-CZ 4.19Å; L115-F135 HydrophobicContact CD1-CE1 3.99Å; C116-F135 WeakPolarHBondContact SG-CE2 3.37Å; Y131-F135 AromaticContact CD1-CD2 3.52Å; Y131-F135 HydrophobicContact CD1-CD2 3.52Å; Y131-F135 AromaticContact CD1-CE2 3.74Å; Y131-F135 HydrophobicContact CD1-CE2 3.74Å; Y131-F135 AromaticContact CE1-CD2 3.99Å; Y131-F135 HydrophobicContact CE1-CD2 3.99Å; Y131-F135 AromaticContact CE1-CE2 3.78Å; Y131-F135 HydrophobicContact CE1-CE2 3.78Å; Y131-F135 HydrophobicContact CG-CD2 4.29Å; Y131-F135 HydrophobicContact CG-CE2 4.49Å; Y131-F135 PolarHBondContact O-N 3.2Å; F135-V137 HydrophobicContact CB-CG2 4.16Å; F135-V137 PolarHBondContact O-N 2.83Å
136	G	92.1	Very high	90.5	Very high	67 Å²	67	55.6 Å²	55.6	69%	0.691	30%	0.302	S	S	*	.	S	Bend	trans	69	19.2	-175.6	0	0	0	0	0	113.8	E132	E132-G136 WeakPolarHBondContact O-CA 3.42Å; E132-G136 PolarHBondContact O-N 2.94Å
137	V	90.6	Very high	90.1	Very high	45 Å²	45	53.2 Å²	53.2	27%	0.273	29%	0.289	S	S	.	.			trans	-109.3	130.1	-178.2	-176.8	0	0	0	0	109.7	E132 F135 S139 A145 R148	E132-V137 VanDerWaalsContact CA-O 3.23Å; E132-V137 WeakPolarHBondContact CA-O 3.43Å; E132-V137 PolarHBondContact N-O 3.21Å; F135-V137 HydrophobicContact CB-CG2 4.16Å; F135-V137 PolarHBondContact O-N 2.83Å; V137-S139 PolarHBondContact O-N 2.75Å; V137-A145 HydrophobicContact CG1-CB 4.23Å; V137-R148 HydrophobicContact CG1-CB 4.49Å; V137-R148 HydrophobicContact CG2-CB 4.31Å
138	S	88.9	Confident	89.7	Confident	63 Å²	63	54 Å²	54	44%	0.441	28%	0.275	S	S	.	.			trans	-61.6	130.9	174.7	158.1	0	0	0	0	111	K140	S138-K140 PolarHBondContact OG-N 3.47Å
139	S	84.8	Confident	89.3	Confident	16 Å²	16	50.8 Å²	50.8	11%	0.112	27%	0.27	C	S	.	.			trans	-101.3	20	178.1	55.4	0	0	0	0	114.9	N129 V137 D141	N129-S139 WeakPolarHBondContact OD1-CB 3.48Å; N129-S139 PolarHBondContact OD1-OG 3.19Å; V137-S139 PolarHBondContact O-N 2.75Å; S139-D141 PolarHBondContact O-N 3.15Å
140	K	83.7	Confident	88.9	Confident	196 Å²	196	54.4 Å²	54.4	85%	0.852	29%	0.289	S	S	*	.	S	Bend	trans	-58.5	-32.1	172.7	-70.9	-176.1	179.5	179.9	0	113.2	S138	S138-K140 PolarHBondContact OG-N 3.47Å
141	D	85.8	Confident	88.6	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	31%	0.314	S	S	.	.	S	Bend	trans	-113.1	109.7	165.3	-178.1	-33.1	0	0	0	106.7	S139 F143 Q144 A145	S139-D141 PolarHBondContact O-N 3.15Å; D141-F143 PolarHBondContact O-N 2.81Å; D141-F143 PolarHBondContact OD1-N 2.86Å; D141-F143 VanDerWaalsContact OD1-N 3.16Å; D141-Q144 HydrophobicContact CB-CB 3.73Å; D141-Q144 PolarHBondContact O-N 3.04Å; D141-Q144 PolarHBondContact OD1-N 3.4Å; D141-A145 PolarHBondContact O-N 3.16Å; D141-A145 VanDerWaalsContact O-N 3.08Å
142	L	86	Confident	88.3	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-56.1	-49.9	-175	174	58.4	0	0	0	111.7	A145 L146 D256 W257 Q306 T307	L142-A145 PolarHBondContact O-N 3.16Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 PolarHBondContact O-N 3.3Å; L142-D256 HydrophobicContact CD2-CB 4.14Å; L142-W257 HydrophobicContact CD2-CZ3 4.4Å; L142-Q306 WeakPolarHBondContact CD1-O 3.39Å; L142-T307 HydrophobicContact CD1-CG2 4.47Å; L142-T307 HydrophobicContact CD2-CG2 4.35Å
143	F	84.7	Confident	88.1	Confident	31 Å²	31	55.2 Å²	55.2	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-76.8	-26.6	-175.1	-78.8	-84.5	0	0	0	112	D141 A145 L146 Y147 L211 D256 W257	D141-F143 PolarHBondContact O-N 2.81Å; D141-F143 PolarHBondContact OD1-N 2.86Å; D141-F143 VanDerWaalsContact OD1-N 3.16Å; F143-A145 VanDerWaalsContact C-N 3.35Å; F143-L146 HydrophobicContact CD1-CD2 3.76Å; F143-L146 HydrophobicContact CE1-CD2 3.79Å; F143-L146 PolarHBondContact O-N 2.9Å; F143-Y147 HydrophobicContact CB-CD2 4.33Å; F143-Y147 HydrophobicContact CB-CE2 4.31Å; F143-Y147 HydrophobicContact CD1-CD2 4.41Å; F143-Y147 AromaticContact CD1-CE2 3.68Å; F143-Y147 HydrophobicContact CD1-CE2 3.68Å; F143-Y147 AromaticContact CD1-CZ 3.79Å; F143-Y147 HydrophobicContact CG-CE2 4.45Å; F143-Y147 VanDerWaalsContact O-CB 3.24Å; F143-Y147 WeakPolarHBondContact O-CB 3.5Å; F143-Y147 WeakPolarHBondContact O-CD2 3.5Å; F143-Y147 PolarHBondContact O-N 3.05Å; F143-L211 HydrophobicContact CB-CD1 4.45Å; F143-D256 WeakPolarHBondContact CZ-OD2 3.36Å; F143-W257 AromaticContact CD2-CH2 3.78Å; F143-W257 HydrophobicContact CD2-CH2 3.78Å; F143-W257 AromaticContact CD2-CZ2 3.85Å; F143-W257 HydrophobicContact CD2-CZ2 3.85Å; F143-W257 AromaticContact CE2-CH2 3.68Å; F143-W257 HydrophobicContact CE2-CH2 3.68Å; F143-W257 AromaticContact CE2-CZ2 3.33Å; F143-W257 HydrophobicContact CE2-CZ2 3.33Å; F143-W257 HydrophobicContact CZ-CZ2 4.41Å
144	Q	86.1	Confident	87.9	Confident	130 Å²	130	53.3 Å²	53.3	61%	0.607	29%	0.288	S	S	*	.	H	α-helix	trans	-64.1	-40	168.5	-167.7	178.7	24.9	0	0	112	D141 Y147 R148	D141-Q144 HydrophobicContact CB-CB 3.73Å; D141-Q144 PolarHBondContact O-N 3.04Å; D141-Q144 PolarHBondContact OD1-N 3.4Å; Q144-Y147 CarbonylContact O-C 3.48Å; Q144-R148 WeakPolarHBondContact O-CA 3.22Å; Q144-R148 PolarHBondContact O-N 2.82Å
145	A	86.5	Confident	87.7	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.9	-38.2	176.7	0	0	0	0	0	112.5	Y131 V137 D141 L142 F143 R148	Y131-A145 HydrophobicContact CD1-CB 4.11Å; Y131-A145 HydrophobicContact CG-CB 4.23Å; V137-A145 HydrophobicContact CG1-CB 4.23Å; D141-A145 PolarHBondContact O-N 3.16Å; D141-A145 VanDerWaalsContact O-N 3.08Å; L142-A145 PolarHBondContact O-N 3.16Å; F143-A145 VanDerWaalsContact C-N 3.35Å; A145-R148 WeakPolarHBondContact O-CB 3.39Å
146	L	86	Confident	87.5	Confident	16 Å²	16	52 Å²	52	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-44	174.6	-172.2	65.5	0	0	0	111.6	Y108 Y131 L142 F143 R148 F156	Y108-L146 WeakPolarHBondContact OH-CD1 3.4Å; Y131-L146 WeakPolarHBondContact OH-CD1 3.15Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 PolarHBondContact O-N 3.3Å; F143-L146 HydrophobicContact CD1-CD2 3.76Å; F143-L146 HydrophobicContact CE1-CD2 3.79Å; F143-L146 PolarHBondContact O-N 2.9Å; L146-R148 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.28Å; L146-F156 HydrophobicContact CD1-CD2 4Å; L146-F156 HydrophobicContact CD1-CE2 4.21Å; L146-F156 HydrophobicContact CD2-CD2 3.97Å; L146-F156 HydrophobicContact CD2-CE1 4.28Å; L146-F156 HydrophobicContact CD2-CE2 3.71Å; L146-F156 HydrophobicContact CD2-CG 4.35Å; L146-F156 HydrophobicContact CD2-CZ 3.87Å; L146-F156 HydrophobicContact CG-CD2 4.19Å; L146-F156 HydrophobicContact CG-CE2 4.38Å
147	Y	89.3	Confident	87.6	Confident	26 Å²	26	48.9 Å²	48.9	10%	0.102	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	37.4	179.7	-54.4	-29.2	0	0	0	112.7	F143 Q144 S149 M153 F156 L211 V214	F143-Y147 HydrophobicContact CB-CD2 4.33Å; F143-Y147 HydrophobicContact CB-CE2 4.31Å; F143-Y147 HydrophobicContact CD1-CD2 4.41Å; F143-Y147 AromaticContact CD1-CE2 3.68Å; F143-Y147 HydrophobicContact CD1-CE2 3.68Å; F143-Y147 AromaticContact CD1-CZ 3.79Å; F143-Y147 HydrophobicContact CG-CE2 4.45Å; F143-Y147 VanDerWaalsContact O-CB 3.24Å; F143-Y147 WeakPolarHBondContact O-CB 3.5Å; F143-Y147 WeakPolarHBondContact O-CD2 3.5Å; F143-Y147 PolarHBondContact O-N 3.05Å; Q144-Y147 CarbonylContact O-C 3.48Å; Y147-S149 PolarHBondContact O-N 2.82Å; Y147-M153 HydrophobicContact CD1-CB 3.78Å; Y147-M153 HydrophobicContact CD1-CG 3.62Å; Y147-M153 HydrophobicContact CD2-CG 4.23Å; Y147-M153 HydrophobicContact CD2-SD 4.45Å; Y147-M153 HydrophobicContact CE1-CB 4.47Å; Y147-M153 HydrophobicContact CE1-CG 3.96Å; Y147-M153 HydrophobicContact CG-CB 4.02Å; Y147-M153 HydrophobicContact CG-CG 3.77Å; Y147-M153 HydrophobicContact CG-SD 4.38Å; Y147-F156 HydrophobicContact CE1-CB 4.17Å; Y147-F156 AromaticContact CE1-CD1 3.59Å; Y147-F156 HydrophobicContact CE1-CD1 3.59Å; Y147-F156 HydrophobicContact CE1-CE1 4.16Å; Y147-F156 AromaticContact CE1-CG 3.96Å; Y147-F156 HydrophobicContact CE1-CG 3.96Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.45Å; Y147-L211 HydrophobicContact CE2-CD1 4.44Å; Y147-V214 HydrophobicContact CD2-CG2 4.44Å; Y147-V214 HydrophobicContact CE2-CG2 3.75Å
148	R	85.7	Confident	87.6	Confident	72 Å²	72	48.5 Å²	48.5	27%	0.272	24%	0.241	S	C	.	.	S	Bend	trans	-53.3	-19.3	-179.1	60.4	-179.7	179.3	-105.9	-3.9	114.7	T112 V137 Q144 A145 L146 E152	T112-R148 PolarHBondContact OG1-NH2 3.25Å; T112-R148 VanDerWaalsContact OG1-NH2 3.11Å; V137-R148 HydrophobicContact CG1-CB 4.49Å; V137-R148 HydrophobicContact CG2-CB 4.31Å; Q144-R148 WeakPolarHBondContact O-CA 3.22Å; Q144-R148 PolarHBondContact O-N 2.82Å; A145-R148 WeakPolarHBondContact O-CB 3.39Å; L146-R148 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.28Å; R148-E152 HydrophobicContact CG-CB 4.25Å; R148-E152 HydrophobicContact CG-CG 4.05Å; R148-E152 IonicContact CZ-OE2 2.85Å; R148-E152 IonicContact NH2-OE2 2.75Å; R148-E152 PolarHBondContact NH2-OE2 3.13Å
149	S	87.1	Confident	87.6	Confident	45 Å²	45	46.6 Å²	46.6	32%	0.315	23%	0.225	S	C	.	.	S	Bend	trans	-148.5	163.4	167.4	71.9	0	0	0	0	110.9	Y147 E151 E152 M153	Y147-S149 PolarHBondContact O-N 2.82Å; S149-E151 PolarHBondContact O-N 3.02Å; S149-E152 PolarHBondContact O-N 2.81Å; S149-E152 WeakPolarHBondContact OG-CG 3.49Å; S149-E152 PolarHBondContact OG-N 3.47Å; S149-M153 PolarHBondContact O-N 3.09Å
150	D	86.8	Confident	87.9	Confident	88 Å²	88	46.4 Å²	46.4	47%	0.471	22%	0.223	S	C	.	.	H	α-helix	trans	-58.2	-39.1	174.4	-67.5	22.6	0	0	0	111.1	M153 V154 K213	D150-M153 PolarHBondContact O-N 3.23Å; D150-V154 WeakPolarHBondContact O-CG2 3.42Å; D150-V154 PolarHBondContact O-N 2.87Å; D150-K213 WeakPolarHBondContact OD1-CE 3.41Å; D150-K213 IonicContact OD1-NZ 3.64Å; D150-K213 PolarHBondContact OD1-NZ 3.46Å
151	E	87.7	Confident	88.2	Confident	113 Å²	113	38.5 Å²	38.5	53%	0.528	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-44	177.6	-169	-168.6	157.3	0	0	112	S149 V154 K155	S149-E151 PolarHBondContact O-N 3.02Å; E151-V154 PolarHBondContact O-N 3.38Å; E151-K155 VanDerWaalsContact CD-NZ 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.39Å; E151-K155 PolarHBondContact O-N 2.92Å; E151-K155 WeakPolarHBondContact OE1-CE 3.29Å; E151-K155 IonicContact OE1-NZ 3.67Å; E151-K155 PolarHBondContact OE1-NZ 3.32Å
152	E	87.8	Confident	88.3	Confident	16 Å²	16	34.7 Å²	34.7	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-36.4	179.1	-68.4	-59	122.5	0	0	112.2	T112 R148 S149 K155 F156	T112-E152 PolarHBondContact OG1-OE2 2.91Å; T112-E152 VanDerWaalsContact OG1-OE2 3.07Å; R148-E152 HydrophobicContact CG-CB 4.25Å; R148-E152 HydrophobicContact CG-CG 4.05Å; R148-E152 IonicContact CZ-OE2 2.85Å; R148-E152 IonicContact NH2-OE2 2.75Å; R148-E152 PolarHBondContact NH2-OE2 3.13Å; S149-E152 PolarHBondContact O-N 2.81Å; S149-E152 WeakPolarHBondContact OG-CG 3.49Å; S149-E152 PolarHBondContact OG-N 3.47Å; E152-K155 PolarHBondContact O-N 3.32Å; E152-K155 WeakPolarHBondContact OE1-CD 3.34Å; E152-K155 IonicContact OE1-NZ 2.72Å; E152-K155 PolarHBondContact OE1-NZ 3.01Å; E152-F156 PolarHBondContact O-N 2.93Å
153	M	89.8	Confident	88.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-49.3	172.3	-173.2	-174.6	74.6	0	0	111	Y147 S149 D150 K155 F156 M157 K213 V214 V217	Y147-M153 HydrophobicContact CD1-CB 3.78Å; Y147-M153 HydrophobicContact CD1-CG 3.62Å; Y147-M153 HydrophobicContact CD2-CG 4.23Å; Y147-M153 HydrophobicContact CD2-SD 4.45Å; Y147-M153 HydrophobicContact CE1-CB 4.47Å; Y147-M153 HydrophobicContact CE1-CG 3.96Å; Y147-M153 HydrophobicContact CG-CB 4.02Å; Y147-M153 HydrophobicContact CG-CG 3.77Å; Y147-M153 HydrophobicContact CG-SD 4.38Å; S149-M153 PolarHBondContact O-N 3.09Å; D150-M153 PolarHBondContact O-N 3.23Å; M153-K155 VanDerWaalsContact C-N 3.32Å; M153-K155 PolarHBondContact O-N 2.82Å; M153-F156 WeakPolarHBondContact O-CB 3.19Å; M153-F156 PolarHBondContact O-N 3.49Å; M153-F156 VanDerWaalsContact O-N 3.14Å; M153-M157 HydrophobicContact CE-SD 4.37Å; M153-M157 HydrophobicContact CG-SD 4.25Å; M153-M157 VanDerWaalsContact O-CG 3.28Å; M153-M157 WeakPolarHBondContact O-CG 3.27Å; M153-M157 PolarHBondContact O-N 3.44Å; M153-K213 HydrophobicContact CE-CD 4.22Å; M153-K213 HydrophobicContact CE-CG 3.9Å; M153-K213 HydrophobicContact SD-CB 4.29Å; M153-K213 HydrophobicContact SD-CD 3.77Å; M153-K213 HydrophobicContact SD-CG 3.79Å; M153-V214 HydrophobicContact SD-CG2 4.08Å; M153-V217 HydrophobicContact CE-CB 3.85Å; M153-V217 HydrophobicContact CE-CG1 4.18Å; M153-V217 HydrophobicContact CE-CG2 3.33Å
154	V	89.7	Confident	88.8	Confident	37 Å²	37	34.5 Å²	34.5	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-42.3	177.4	169.8	0	0	0	0	111.5	D150 E151 F156 M157 H158 V217	D150-V154 WeakPolarHBondContact O-CG2 3.42Å; D150-V154 PolarHBondContact O-N 2.87Å; E151-V154 PolarHBondContact O-N 3.38Å; V154-F156 PolarHBondContact O-N 3.42Å; V154-M157 PolarHBondContact O-N 3.08Å; V154-H158 PolarHBondContact O-CD2 3.49Å; V154-H158 PolarHBondContact O-N 3.24Å; V154-V217 HydrophobicContact CG2-CG1 3.79Å
155	K	88.9	Confident	88.9	Confident	16 Å²	16	30.7 Å²	30.7	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-42.7	175.1	-71.5	169.1	-172.7	158.4	0	112.3	Y108 E151 E152 M153 H158 L159	Y108-K155 HydrophobicContact CD2-CB 3.98Å; E151-K155 VanDerWaalsContact CD-NZ 3.34Å; E151-K155 WeakPolarHBondContact O-CG 3.39Å; E151-K155 PolarHBondContact O-N 2.92Å; E151-K155 WeakPolarHBondContact OE1-CE 3.29Å; E151-K155 IonicContact OE1-NZ 3.67Å; E151-K155 PolarHBondContact OE1-NZ 3.32Å; E152-K155 PolarHBondContact O-N 3.32Å; E152-K155 WeakPolarHBondContact OE1-CD 3.34Å; E152-K155 IonicContact OE1-NZ 2.72Å; E152-K155 PolarHBondContact OE1-NZ 3.01Å; M153-K155 VanDerWaalsContact C-N 3.32Å; M153-K155 PolarHBondContact O-N 2.82Å; K155-H158 PolarHBondContact O-N 3Å; K155-L159 PolarHBondContact O-N 3.49Å
156	F	90.7	Very high	89	Confident	26 Å²	26	34.1 Å²	34.1	11%	0.114	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-43.9	175.1	178.4	-92.5	0	0	0	111.5	Y108 L146 Y147 E152 M153 V154 H158 L159 M160	Y108-F156 HydrophobicContact CD2-CB 4.38Å; Y108-F156 HydrophobicContact CE1-CD2 4.47Å; Y108-F156 HydrophobicContact CE2-CB 3.88Å; Y108-F156 HydrophobicContact CE2-CD2 4.11Å; Y108-F156 AromaticContact CZ-CD2 3.82Å; L146-F156 HydrophobicContact CD1-CD2 4Å; L146-F156 HydrophobicContact CD1-CE2 4.21Å; L146-F156 HydrophobicContact CD2-CD2 3.97Å; L146-F156 HydrophobicContact CD2-CE1 4.28Å; L146-F156 HydrophobicContact CD2-CE2 3.71Å; L146-F156 HydrophobicContact CD2-CG 4.35Å; L146-F156 HydrophobicContact CD2-CZ 3.87Å; L146-F156 HydrophobicContact CG-CD2 4.19Å; L146-F156 HydrophobicContact CG-CE2 4.38Å; Y147-F156 HydrophobicContact CE1-CB 4.17Å; Y147-F156 AromaticContact CE1-CD1 3.59Å; Y147-F156 HydrophobicContact CE1-CD1 3.59Å; Y147-F156 HydrophobicContact CE1-CE1 4.16Å; Y147-F156 AromaticContact CE1-CG 3.96Å; Y147-F156 HydrophobicContact CE1-CG 3.96Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.45Å; E152-F156 PolarHBondContact O-N 2.93Å; M153-F156 WeakPolarHBondContact O-CB 3.19Å; M153-F156 PolarHBondContact O-N 3.49Å; M153-F156 VanDerWaalsContact O-N 3.14Å; V154-F156 PolarHBondContact O-N 3.42Å; F156-H158 VanDerWaalsContact C-N 3.28Å; F156-H158 PolarHBondContact O-N 2.83Å; F156-L159 VanDerWaalsContact O-CB 3.32Å; F156-L159 WeakPolarHBondContact O-CB 3.44Å; F156-L159 PolarHBondContact O-N 3.43Å; F156-L159 VanDerWaalsContact O-N 3.07Å; F156-M160 HydrophobicContact CD1-CG 4.16Å; F156-M160 HydrophobicContact CD2-CE 4.12Å; F156-M160 HydrophobicContact CE1-CE 4.04Å; F156-M160 HydrophobicContact CE1-CG 3.7Å; F156-M160 HydrophobicContact CE1-SD 4.31Å; F156-M160 HydrophobicContact CE2-CE 3.46Å; F156-M160 VanDerWaalsContact CE2-CE 3.46Å; F156-M160 HydrophobicContact CZ-CE 3.42Å; F156-M160 VanDerWaalsContact CZ-CE 3.42Å; F156-M160 HydrophobicContact CZ-CG 4.05Å; F156-M160 HydrophobicContact CZ-SD 4.05Å; F156-M160 PolarHBondContact O-N 2.95Å
157	M	93.3	Very high	89.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-38	177.1	-65.9	177.9	71.9	0	0	111.9	M153 V154 M160 N161 C189 V214 V217 F222	M153-M157 HydrophobicContact CE-SD 4.37Å; M153-M157 HydrophobicContact CG-SD 4.25Å; M153-M157 VanDerWaalsContact O-CG 3.28Å; M153-M157 WeakPolarHBondContact O-CG 3.27Å; M153-M157 PolarHBondContact O-N 3.44Å; V154-M157 PolarHBondContact O-N 3.08Å; M157-M160 PolarHBondContact O-N 3.45Å; M157-N161 WeakPolarHBondContact O-CB 3.27Å; M157-N161 PolarHBondContact O-N 3.26Å; M157-C189 VanDerWaalsContact CG-SG 3.59Å; M157-V214 HydrophobicContact CE-CG1 3.86Å; M157-V214 HydrophobicContact SD-CG1 4.16Å; M157-V217 HydrophobicContact CE-CB 4.21Å; M157-V217 HydrophobicContact CE-CG1 3.91Å; M157-V217 HydrophobicContact SD-CB 3.93Å; M157-V217 HydrophobicContact SD-CG1 3.45Å; M157-V217 WeakPolarHBondContact SD-CG1 3.37Å; M157-F222 HydrophobicContact CB-CE2 3.99Å; M157-F222 HydrophobicContact CB-CZ 3.88Å; M157-F222 HydrophobicContact CE-CD2 4.06Å; M157-F222 HydrophobicContact CE-CE2 3.88Å; M157-F222 HydrophobicContact SD-CE2 4.45Å
158	H	90.1	Very high	89.4	Confident	37 Å²	37	32.4 Å²	32.4	17%	0.171	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-36.9	172.8	-76.6	-61.8	0	0	0	113.3	Q104 V154 K155 F156 N161 S162 F222	Q104-H158 HydrophobicContact CB-CB 3.65Å; Q104-H158 HydrophobicContact CG-CB 4.27Å; Q104-H158 PolarHBondContact NE2-CD2 3.08Å; Q104-H158 PolarHBondContact NE2-CE1 2.9Å; Q104-H158 PolarHBondContact NE2-ND1 3.45Å; Q104-H158 PolarHBondContact NE2-NE2 2.78Å; Q104-H158 VanDerWaalsContact NE2-NE2 3.11Å; Q104-H158 PolarHBondContact OE1-CE1 2.99Å; Q104-H158 PolarHBondContact OE1-ND1 3.25Å; V154-H158 PolarHBondContact O-CD2 3.49Å; V154-H158 PolarHBondContact O-N 3.24Å; K155-H158 PolarHBondContact O-N 3Å; F156-H158 VanDerWaalsContact C-N 3.28Å; F156-H158 PolarHBondContact O-N 2.83Å; H158-N161 PolarHBondContact O-N 3.15Å; H158-S162 PolarHBondContact O-N 2.84Å; H158-S162 PolarHBondContact O-OG 3.45Å; H158-F222 AromaticContact CE1-CE1 3.51Å; H158-F222 AromaticContact CE1-CZ 3.46Å; H158-F222 VanDerWaalsContact CE1-CZ 3.46Å; H158-F222 WeakPolarHBondContact CE1-CZ 3.47Å; H158-F222 AromaticContact CG-CZ 3.92Å; H158-F222 AromaticContact ND1-CE1 3.33Å; H158-F222 VanDerWaalsContact ND1-CE1 3.33Å; H158-F222 WeakPolarHBondContact ND1-CE1 3.18Å; H158-F222 AromaticContact ND1-CZ 3.5Å; H158-F222 AromaticContact NE2-CZ 3.89Å
159	L	90.3	Very high	89.9	Confident	23 Å²	23	37 Å²	37	12%	0.12	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-47	171.4	172.3	72.1	0	0	0	111.1	Y108 K155 F156 N161 I163	Y108-L159 HydrophobicContact CD1-CD2 3.56Å; Y108-L159 HydrophobicContact CE1-CD2 3.75Å; Y108-L159 HydrophobicContact CG-CB 4.5Å; Y108-L159 HydrophobicContact CG-CD2 4.28Å; K155-L159 PolarHBondContact O-N 3.49Å; F156-L159 VanDerWaalsContact O-CB 3.32Å; F156-L159 WeakPolarHBondContact O-CB 3.44Å; F156-L159 PolarHBondContact O-N 3.43Å; F156-L159 VanDerWaalsContact O-N 3.07Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 2.86Å; L159-I163 PolarHBondContact O-N 3.47Å
160	M	89.6	Confident	90.3	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-39.7	176.2	-63.5	-54.6	120.4	0	0	111.7	F156 M157 I163 C189 R252	F156-M160 HydrophobicContact CD1-CG 4.16Å; F156-M160 HydrophobicContact CD2-CE 4.12Å; F156-M160 HydrophobicContact CE1-CE 4.04Å; F156-M160 HydrophobicContact CE1-CG 3.7Å; F156-M160 HydrophobicContact CE1-SD 4.31Å; F156-M160 HydrophobicContact CE2-CE 3.46Å; F156-M160 VanDerWaalsContact CE2-CE 3.46Å; F156-M160 HydrophobicContact CZ-CE 3.42Å; F156-M160 VanDerWaalsContact CZ-CE 3.42Å; F156-M160 HydrophobicContact CZ-CG 4.05Å; F156-M160 HydrophobicContact CZ-SD 4.05Å; F156-M160 PolarHBondContact O-N 2.95Å; M157-M160 PolarHBondContact O-N 3.45Å; M160-I163 VanDerWaalsContact O-CG2 3.32Å; M160-I163 WeakPolarHBondContact O-CG2 3.32Å; M160-C189 HydrophobicContact CB-CB 4.37Å; M160-C189 HydrophobicContact CG-CB 4.36Å; M160-R252 VanDerWaalsContact CE-CZ 3.45Å; M160-R252 VanDerWaalsContact CE-NH1 3.26Å; M160-R252 VanDerWaalsContact SD-CZ 3.55Å; M160-R252 PolarHBondContact SD-NH1 3.15Å
161	N	89.8	Confident	90.8	Very high	29 Å²	29	33.6 Å²	33.6	16%	0.155	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-51.1	179.4	-172.3	81.2	0	0	0	112.6	M157 H158 L159 I163 W164 N165 S190 A192 F222	M157-N161 WeakPolarHBondContact O-CB 3.27Å; M157-N161 PolarHBondContact O-N 3.26Å; H158-N161 PolarHBondContact O-N 3.15Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 2.86Å; N161-I163 VanDerWaalsContact C-N 3.3Å; N161-I163 PolarHBondContact O-N 3.14Å; N161-W164 PolarHBondContact O-N 3.05Å; N161-N165 PolarHBondContact O-N 3.35Å; N161-S190 WeakPolarHBondContact CA-OG 3.32Å; N161-S190 WeakPolarHBondContact CB-OG 3.12Å; N161-S190 PolarHBondContact OD1-OG 3.15Å; N161-A192 HydrophobicContact CB-CB 4.45Å; N161-F222 HydrophobicContact CB-CD1 4.26Å; N161-F222 HydrophobicContact CB-CE1 3.99Å
162	S	88.7	Confident	91.3	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-38.8	-175.8	-71.4	0	0	0	0	112.6	S101 S105 H158 N165	S101-S162 WeakPolarHBondContact O-CB 3.47Å; S101-S162 PolarHBondContact O-OG 3.16Å; S105-S162 WeakPolarHBondContact OG-CB 3.42Å; S105-S162 PolarHBondContact OG-OG 3Å; H158-S162 PolarHBondContact O-N 2.84Å; H158-S162 PolarHBondContact O-OG 3.45Å; S162-N165 PolarHBondContact O-N 2.68Å
163	I	88.6	Confident	91.7	Very high	21 Å²	21	30.6 Å²	30.6	11%	0.108	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-39.1	-175.5	-164.2	58.4	0	0	0	111.9	L159 M160 N161 N165 I166 C167 I337 Y338	L159-I163 PolarHBondContact O-N 3.47Å; M160-I163 VanDerWaalsContact O-CG2 3.32Å; M160-I163 WeakPolarHBondContact O-CG2 3.32Å; N161-I163 VanDerWaalsContact C-N 3.3Å; N161-I163 PolarHBondContact O-N 3.14Å; I163-N165 VanDerWaalsContact C-N 3.3Å; I163-N165 PolarHBondContact O-N 2.94Å; I163-I166 PolarHBondContact O-N 3.41Å; I163-C167 PolarHBondContact O-N 3.41Å; I163-C167 VanDerWaalsContact O-N 3.07Å; I163-C167 PolarHBondContact O-SG 3.26Å; I163-I337 HydrophobicContact CD1-CD1 4.26Å; I163-Y338 HydrophobicContact CD1-CE2 4.13Å; I163-Y338 HydrophobicContact CG1-CD2 4.42Å; I163-Y338 HydrophobicContact CG1-CE2 3.46Å; I163-Y338 VanDerWaalsContact CG1-CE2 3.46Å
164	W	93.3	Very high	92.1	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.045	16%	0.16	C	C	.	.	H	α-helix	trans	-72.4	-24.2	178.2	-58.9	133.3	0	0	0	112.9	N161 I166 G168 V171 A192 L193 A251 R252 V282 Y338	N161-W164 PolarHBondContact O-N 3.05Å; W164-I166 PolarHBondContact O-N 2.93Å; W164-G168 WeakPolarHBondContact O-CA 3.35Å; W164-G168 PolarHBondContact O-N 3.43Å; W164-V171 HydrophobicContact CZ3-CG2 4.26Å; W164-A192 HydrophobicContact CB-CB 3.75Å; W164-A192 HydrophobicContact CG-CB 4.35Å; W164-L193 HydrophobicContact CD2-CB 4.39Å; W164-L193 HydrophobicContact CD2-CD1 4.16Å; W164-L193 HydrophobicContact CE3-CD1 4.05Å; W164-L193 HydrophobicContact CG-CB 4.15Å; W164-L193 HydrophobicContact CG-CD1 4.47Å; W164-A251 HydrophobicContact CH2-CB 4.13Å; W164-A251 HydrophobicContact CZ2-CB 3.78Å; W164-R252 HydrophobicContact CH2-CG 3.91Å; W164-R252 VanDerWaalsContact CZ2-CD 3.49Å; W164-R252 HydrophobicContact CZ2-CG 3.82Å; W164-V282 HydrophobicContact CH2-CG1 3.71Å; W164-V282 HydrophobicContact CZ3-CG1 3.88Å; W164-Y338 HydrophobicContact CH2-CD1 4.45Å; W164-Y338 HydrophobicContact CH2-CD2 4.26Å; W164-Y338 HydrophobicContact CH2-CG 4.21Å; W164-Y338 AromaticContact CZ3-CD2 3.93Å; W164-Y338 HydrophobicContact CZ3-CD2 3.93Å; W164-Y338 HydrophobicContact CZ3-CE2 4.41Å; W164-Y338 HydrophobicContact CZ3-CG 4.15Å
165	N	88.1	Confident	92.5	Very high	49 Å²	49	31 Å²	31	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-66.4	-21.5	169.4	-71.5	-7.2	0	0	0	113	P99 L100 N161 S162 I163	P99-N165 PolarHBondContact O-ND2 2.77Å; P99-N165 VanDerWaalsContact O-ND2 3.12Å; L100-N165 HydrophobicContact CD2-CB 4.24Å; L100-N165 WeakPolarHBondContact CD2-O 3.2Å; N161-N165 PolarHBondContact O-N 3.35Å; S162-N165 PolarHBondContact O-N 2.68Å; I163-N165 VanDerWaalsContact C-N 3.3Å; I163-N165 PolarHBondContact O-N 2.94Å
166	I	87.7	Confident	92.9	Very high	72 Å²	72	35.3 Å²	35.3	37%	0.369	18%	0.177	S	C	.	.	H	α-helix	trans	-95.1	-46.4	-178.8	-65.1	171.2	0	0	0	111.6	F93 L102 I163 W164	F93-I166 HydrophobicContact CD1-CD1 4.47Å; L102-I166 HydrophobicContact CD1-CD1 4.28Å; L102-I166 HydrophobicContact CD2-CD1 3.5Å; L102-I166 HydrophobicContact CG-CD1 4.05Å; I163-I166 PolarHBondContact O-N 3.41Å; W164-I166 PolarHBondContact O-N 2.93Å
167	C	90.3	Very high	93.2	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-125.4	3.8	-172.8	63.9	0	0	0	0	114.6	I163 R169 D170 V171 K336	I163-C167 PolarHBondContact O-N 3.41Å; I163-C167 VanDerWaalsContact O-N 3.07Å; I163-C167 PolarHBondContact O-SG 3.26Å; C167-R169 VanDerWaalsContact C-N 3.29Å; C167-R169 PolarHBondContact O-N 3.02Å; C167-D170 PolarHBondContact O-N 2.84Å; C167-V171 PolarHBondContact O-N 3.01Å; C167-K336 HydrophobicContact CB-CB 4.49Å
168	G	94.3	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-35.2	-177	0	0	0	0	0	112.8	W164 D170 V171 V172	W164-G168 WeakPolarHBondContact O-CA 3.35Å; W164-G168 PolarHBondContact O-N 3.43Å; G168-D170 VanDerWaalsContact C-N 3.34Å; G168-D170 PolarHBondContact O-N 3.37Å; G168-V171 WeakPolarHBondContact O-CG2 3.4Å; G168-V171 PolarHBondContact O-N 3.42Å; G168-V172 WeakPolarHBondContact O-CG1 3.4Å; G168-V172 WeakPolarHBondContact O-CG2 3.45Å; G168-V172 PolarHBondContact O-N 2.61Å; G168-V172 VanDerWaalsContact O-N 3.16Å
169	R	95.3	Very high	93.6	Very high	170 Å²	170	41.8 Å²	41.8	64%	0.642	22%	0.217	S	C	*	.	H	α-helix	trans	-62.3	-40.5	175.3	-172.8	173.1	-177.8	140.2	2.1	112.6	C167 V171 T173	C167-R169 VanDerWaalsContact C-N 3.29Å; C167-R169 PolarHBondContact O-N 3.02Å; R169-V171 VanDerWaalsContact C-N 3.34Å; R169-V171 PolarHBondContact O-N 2.98Å; R169-T173 HydrophobicContact CG-CG2 4.29Å; R169-T173 WeakPolarHBondContact O-CB 3.39Å; R169-T173 WeakPolarHBondContact O-CG2 3.41Å; R169-T173 PolarHBondContact O-N 3.13Å; R169-T173 VanDerWaalsContact O-N 3.14Å; R169-T173 PolarHBondContact O-OG1 2.75Å
170	D	96.6	Very high	94	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-42.8	-177.2	-58.6	-60.8	0	0	0	111.2	C167 G168 A174 T334	C167-D170 PolarHBondContact O-N 2.84Å; G168-D170 VanDerWaalsContact C-N 3.34Å; G168-D170 PolarHBondContact O-N 3.37Å; D170-A174 PolarHBondContact O-N 3.38Å; D170-T334 HydrophobicContact CB-CG2 4.27Å
171	V	97	Very high	94.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-75.4	-39.6	-178.8	-63.3	0	0	0	0	112.9	W164 C167 G168 R169 T173 A174 L193 V282 T334 Y338	W164-V171 HydrophobicContact CZ3-CG2 4.26Å; C167-V171 PolarHBondContact O-N 3.01Å; G168-V171 WeakPolarHBondContact O-CG2 3.4Å; G168-V171 PolarHBondContact O-N 3.42Å; R169-V171 VanDerWaalsContact C-N 3.34Å; R169-V171 PolarHBondContact O-N 2.98Å; V171-T173 VanDerWaalsContact C-N 3.25Å; V171-T173 PolarHBondContact O-N 3.42Å; V171-A174 WeakPolarHBondContact O-CB 3.48Å; V171-A174 PolarHBondContact O-N 3.03Å; V171-L193 HydrophobicContact CG2-CD1 3.83Å; V171-V282 HydrophobicContact CB-CG1 3.73Å; V171-V282 HydrophobicContact CB-CG2 4.25Å; V171-V282 HydrophobicContact CG1-CG1 3.66Å; V171-V282 HydrophobicContact CG2-CG1 3.86Å; V171-V282 HydrophobicContact CG2-CG2 4.45Å; V171-T334 HydrophobicContact CG1-CG2 4.03Å; V171-Y338 WeakPolarHBondContact CG1-O 3.36Å
172	V	97.1	Very high	94.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-72.8	-20.7	-180	-56.1	0	0	0	0	112.6	G168 L177 L193 Q196 C197 A200 Y201	G168-V172 WeakPolarHBondContact O-CG1 3.4Å; G168-V172 WeakPolarHBondContact O-CG2 3.45Å; G168-V172 PolarHBondContact O-N 2.61Å; G168-V172 VanDerWaalsContact O-N 3.16Å; V172-L177 WeakPolarHBondContact O-CD1 3.18Å; V172-L193 HydrophobicContact CG1-CD1 3.55Å; V172-L193 HydrophobicContact CG1-CG 4.11Å; V172-Q196 HydrophobicContact CG1-CB 4.43Å; V172-Q196 HydrophobicContact CG2-CB 4.29Å; V172-C197 WeakPolarHBondContact CG1-SG 3.3Å; V172-A200 HydrophobicContact CG2-CB 4.12Å; V172-Y201 WeakPolarHBondContact O-CE2 3.32Å; V172-Y201 PolarHBondContact O-OH 3.37Å
173	T	97.4	Very high	95.2	Very high	66 Å²	66	45.1 Å²	45.1	41%	0.405	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	3.8	175.9	63.5	0	0	0	0	113.7	R169 V171 F175 A200	R169-T173 HydrophobicContact CG-CG2 4.29Å; R169-T173 WeakPolarHBondContact O-CB 3.39Å; R169-T173 WeakPolarHBondContact O-CG2 3.41Å; R169-T173 PolarHBondContact O-N 3.13Å; R169-T173 VanDerWaalsContact O-N 3.14Å; R169-T173 PolarHBondContact O-OG1 2.75Å; V171-T173 VanDerWaalsContact C-N 3.25Å; V171-T173 PolarHBondContact O-N 3.42Å; T173-F175 PolarHBondContact O-N 3.39Å; T173-A200 HydrophobicContact CG2-CB 4.13Å
174	A	97.8	Very high	95.7	Very high	25 Å²	25	44.2 Å²	44.2	21%	0.207	23%	0.228	C	C	.	.	S	Bend	trans	-63.5	-25.8	178.6	0	0	0	0	0	112.7	D170 V171 R332 T334 A340	D170-A174 PolarHBondContact O-N 3.38Å; V171-A174 WeakPolarHBondContact O-CB 3.48Å; V171-A174 PolarHBondContact O-N 3.03Å; A174-R332 HydrophobicContact CB-CB 4.12Å; A174-T334 HydrophobicContact CB-CG2 4.44Å; A174-A340 HydrophobicContact CB-CB 3.62Å
175	F	98.1	Very high	95.9	Very high	21 Å²	21	43.8 Å²	43.8	9%	0.092	23%	0.226	C	C	.	.	S	Bend	trans	-126.9	161.5	171.4	-65.6	-84.3	0	0	0	110.1	T173 L177 Y201 L280 Q330 R332 A340 L342	T173-F175 PolarHBondContact O-N 3.39Å; F175-L177 HydrophobicContact CB-CD2 4Å; F175-L177 PolarHBondContact O-N 3.19Å; F175-L177 VanDerWaalsContact O-N 3.14Å; F175-Y201 PolarHBondContact O-OH 3.19Å; F175-Y201 VanDerWaalsContact O-OH 3.13Å; F175-L280 HydrophobicContact CD2-CD1 3.99Å; F175-L280 HydrophobicContact CE2-CD1 4.31Å; F175-Q330 HydrophobicContact CE1-CB 3.82Å; F175-Q330 HydrophobicContact CZ-CB 4.06Å; F175-Q330 WeakPolarHBondContact CZ-O 3.48Å; F175-R332 HydrophobicContact CD1-CG 4.17Å; F175-R332 HydrophobicContact CD2-CG 4.35Å; F175-R332 HydrophobicContact CE1-CG 3.56Å; F175-R332 HydrophobicContact CE2-CB 4.11Å; F175-R332 HydrophobicContact CE2-CG 3.76Å; F175-R332 HydrophobicContact CZ-CB 4.08Å; F175-R332 HydrophobicContact CZ-CG 3.34Å; F175-A340 HydrophobicContact CD2-CB 3.99Å; F175-A340 HydrophobicContact CE2-CB 3.68Å; F175-L342 HydrophobicContact CB-CD2 4.09Å; F175-L342 HydrophobicContact CD1-CB 4.25Å; F175-L342 HydrophobicContact CD1-CD2 3.87Å; F175-L342 HydrophobicContact CD2-CB 3.93Å; F175-L342 HydrophobicContact CD2-CD2 4.4Å; F175-L342 HydrophobicContact CE1-CB 4.06Å; F175-L342 HydrophobicContact CE1-CD2 4.37Å; F175-L342 HydrophobicContact CE2-CB 3.72Å; F175-L342 HydrophobicContact CG-CB 4.18Å; F175-L342 HydrophobicContact CG-CD2 3.87Å; F175-L342 HydrophobicContact CZ-CB 3.78Å
176	D	96.3	Very high	96.4	Very high	105 Å²	105	41.4 Å²	41.4	56%	0.561	21%	0.214	S	C	*	.			trans	-76.5	99.8	169.1	-177.7	15.9	0	0	0	110.1	M178	D176-M178 WeakPolarHBondContact OD1-CB 3.46Å; D176-M178 PolarHBondContact OD1-N 3.06Å
177	L	97.3	Very high	96.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.203	C	C	.	.			trans	-91.8	3.7	177.4	-50.2	-177.6	0	0	0	113.2	V172 F175 P179 F180 Y201 L247 L280	V172-L177 WeakPolarHBondContact O-CD1 3.18Å; F175-L177 HydrophobicContact CB-CD2 4Å; F175-L177 PolarHBondContact O-N 3.19Å; F175-L177 VanDerWaalsContact O-N 3.14Å; L177-P179 VanDerWaalsContact C-N 3.28Å; L177-F180 HydrophobicContact CB-CD2 4.16Å; L177-F180 HydrophobicContact CD2-CD2 4.16Å; L177-F180 HydrophobicContact CD2-CE2 4.14Å; L177-F180 PolarHBondContact O-N 3.37Å; L177-Y201 HydrophobicContact CB-CD2 4.36Å; L177-Y201 HydrophobicContact CB-CE1 4.19Å; L177-Y201 HydrophobicContact CB-CE2 3.8Å; L177-Y201 HydrophobicContact CD1-CE2 4.22Å; L177-Y201 HydrophobicContact CG-CE2 4.27Å; L177-Y201 PolarHBondContact N-OH 3.13Å; L177-L247 HydrophobicContact CD1-CD2 3.95Å; L177-L247 HydrophobicContact CD2-CD2 4.09Å; L177-L247 HydrophobicContact CG-CD2 4.43Å; L177-L280 HydrophobicContact CD1-CD2 3.93Å
178	M	96.3	Very high	97.1	Very high	111 Å²	111	38.7 Å²	38.7	55%	0.547	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.3	-179.8	-173.2	-168.6	-58.7	0	0	114.4	D176 F180 K181 Y201	D176-M178 WeakPolarHBondContact OD1-CB 3.46Å; D176-M178 PolarHBondContact OD1-N 3.06Å; M178-F180 PolarHBondContact O-N 3.43Å; M178-K181 VanDerWaalsContact O-CE 3.3Å; M178-K181 WeakPolarHBondContact O-CE 3.43Å; M178-K181 PolarHBondContact O-NZ 2.89Å; M178-Y201 HydrophobicContact CB-CD1 4.26Å; M178-Y201 HydrophobicContact CB-CE1 4.29Å
179	P	96.3	Very high	97.2	Very high	88 Å²	88	39.1 Å²	39.1	57%	0.571	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.1	178.5	-24.5	36.4	0	0	0	114.5	L177	L177-P179 VanDerWaalsContact C-N 3.28Å
180	F	97.8	Very high	97.1	Very high	16 Å²	16	31 Å²	31	7%	0.07	18%	0.177	C	C	.	.			trans	-92	107.6	-176.1	-50	-70.1	0	0	0	110.3	L177 M178 D246 L247 A278	L177-F180 HydrophobicContact CB-CD2 4.16Å; L177-F180 HydrophobicContact CD2-CD2 4.16Å; L177-F180 HydrophobicContact CD2-CE2 4.14Å; L177-F180 PolarHBondContact O-N 3.37Å; M178-F180 PolarHBondContact O-N 3.43Å; F180-D246 HydrophobicContact CB-CB 4.05Å; F180-D246 HydrophobicContact CD1-CB 3.96Å; F180-D246 WeakPolarHBondContact CD1-O 3.4Å; F180-L247 HydrophobicContact CB-CB 3.69Å; F180-L247 HydrophobicContact CB-CD2 4.47Å; F180-L247 HydrophobicContact CD1-CB 4.11Å; F180-L247 HydrophobicContact CD2-CB 4.23Å; F180-L247 HydrophobicContact CD2-CD1 4.29Å; F180-L247 HydrophobicContact CD2-CD2 4.18Å; F180-L247 HydrophobicContact CD2-CG 4.49Å; F180-L247 HydrophobicContact CE2-CD1 4.37Å; F180-L247 HydrophobicContact CG-CB 3.76Å; F180-L247 HydrophobicContact CG-CD2 4.48Å; F180-L247 HydrophobicContact CG-CG 4.49Å; F180-A278 HydrophobicContact CE1-CB 3.73Å; F180-A278 HydrophobicContact CE2-CB 4.4Å; F180-A278 HydrophobicContact CZ-CB 3.57Å
181	K	97.4	Very high	97	Very high	69 Å²	69	28.2 Å²	28.2	30%	0.3	16%	0.162	S	C	.	.			trans	-93.4	-30.7	-175.9	-56.6	-56.7	-179.8	-172.7	0	112.3	M178 E203 C204 T205 D246	M178-K181 VanDerWaalsContact O-CE 3.3Å; M178-K181 WeakPolarHBondContact O-CE 3.43Å; M178-K181 PolarHBondContact O-NZ 2.89Å; K181-E203 HydrophobicContact CD-CB 4.04Å; K181-E203 WeakPolarHBondContact CE-OE2 3.33Å; K181-E203 IonicContact NZ-OE2 2.66Å; K181-E203 PolarHBondContact NZ-OE2 2.91Å; K181-C204 CarbonylContact O-C 3.57Å; K181-C204 VanDerWaalsContact O-CA 3.23Å; K181-C204 WeakPolarHBondContact O-CA 3.3Å; K181-T205 PolarHBondContact O-N 2.72Å; K181-D246 PolarHBondContact N-OD2 3.04Å; K181-D246 VanDerWaalsContact N-OD2 3.11Å
182	V	98.3	Very high	97	Very high	54 Å²	54	28.1 Å²	28.1	33%	0.327	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.9	175.6	-174.1	0	0	0	0	109	A245 D246 L247	V182-A245 HydrophobicContact CG1-CB 4.34Å; V182-D246 PolarHBondContact N-OD2 3.46Å; V182-D246 WeakPolarHBondContact O-CA 3.28Å; V182-D246 WeakPolarHBondContact O-CB 3.34Å; V182-D246 PolarHBondContact O-N 3.47Å; V182-L247 PolarHBondContact O-N 2.93Å
183	I	98.6	Very high	97	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.4	-178	-55.7	-179.5	0	0	0	109.1	C204 T205 V206 T207 L247 I249	I183-C204 HydrophobicContact CD1-CB 3.96Å; I183-C204 HydrophobicContact CG1-CB 4.39Å; I183-T205 PolarHBondContact N-O 3.41Å; I183-V206 HydrophobicContact CB-CG1 4.39Å; I183-V206 HydrophobicContact CB-CG2 4.1Å; I183-V206 HydrophobicContact CD1-CG2 4.41Å; I183-V206 HydrophobicContact CG2-CG1 4.23Å; I183-V206 HydrophobicContact CG2-CG2 4.46Å; I183-V206 CarbonylContact O-C 3.52Å; I183-V206 WeakPolarHBondContact O-CA 3.46Å; I183-T207 PolarHBondContact O-N 2.93Å; I183-L247 CarbonylContact C-O 3.46Å; I183-L247 WeakPolarHBondContact CA-O 3.47Å; I183-L247 HydrophobicContact CD1-CD2 4.29Å; I183-L247 HydrophobicContact CG1-CB 4.25Å; I183-L247 HydrophobicContact CG1-CD2 4.4Å; I183-L247 HydrophobicContact CG2-CB 4.48Å; I183-L247 HydrophobicContact CG2-CD2 4.37Å; I183-I249 HydrophobicContact CG2-CD1 3.57Å; I183-I249 HydrophobicContact CG2-CG1 3.84Å
184	C	98.6	Very high	97	Very high	1 Å²	1	25 Å²	25	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.1	168.6	-177.8	0	0	0	0	109.5	T207 A245 L247 Y248 I249	C184-T207 CarbonylContact C-O 3.58Å; C184-T207 WeakPolarHBondContact CA-O 3.32Å; C184-A245 HydrophobicContact CB-CB 3.63Å; C184-L247 PolarHBondContact N-O 2.87Å; C184-Y248 HydrophobicContact CB-CD1 3.72Å; C184-Y248 HydrophobicContact CB-CE1 3.88Å; C184-Y248 CarbonylContact O-C 3.57Å; C184-Y248 WeakPolarHBondContact O-CA 3.37Å; C184-I249 PolarHBondContact O-N 3.06Å
185	D	98.6	Very high	96.9	Very high	3 Å²	3	26 Å²	26	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	98.4	176.4	-168.9	4.9	0	0	0	108.6	G188 V206 T207 F209	D185-G188 VanDerWaalsContact CG-CA 3.45Å; D185-G188 PolarHBondContact O-N 2.89Å; D185-G188 WeakPolarHBondContact OD2-CA 3.41Å; D185-V206 HydrophobicContact CB-CG1 3.96Å; D185-T207 PolarHBondContact N-O 2.69Å; D185-F209 PolarHBondContact O-N 3.27Å
186	L	98.5	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.8	-175.7	-68.8	169.5	0	0	0	109.2	F209 F237 L242 Y248 I249 L250 I253 I269	L186-F209 HydrophobicContact CD2-CB 3.94Å; L186-F209 HydrophobicContact CD2-CD1 3.94Å; L186-F209 HydrophobicContact CD2-CG 3.95Å; L186-F237 HydrophobicContact CD2-CB 4.48Å; L186-L242 HydrophobicContact CD1-CD1 4.38Å; L186-L242 HydrophobicContact CD2-CD1 4.47Å; L186-L242 HydrophobicContact CD2-CD2 3.84Å; L186-Y248 HydrophobicContact CD1-CD1 3.85Å; L186-Y248 HydrophobicContact CD1-CG 4.45Å; L186-Y248 HydrophobicContact CG-CD1 4.25Å; L186-I249 PolarHBondContact N-O 3.33Å; L186-L250 HydrophobicContact CB-CD2 3.64Å; L186-L250 HydrophobicContact CD1-CD2 3.97Å; L186-L250 HydrophobicContact CD1-CG 4.42Å; L186-L250 HydrophobicContact CG-CD2 4.47Å; L186-I253 WeakPolarHBondContact O-CG1 3.43Å; L186-I269 HydrophobicContact CD1-CD1 3.4Å; L186-I269 HydrophobicContact CD1-CG1 3.61Å
187	G	96.9	Very high	96.9	Very high	13 Å²	13	21.6 Å²	21.6	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	30.9	-168.4	0	0	0	0	0	112.8	C189 F209 D210	G187-C189 PolarHBondContact O-N 2.91Å; G187-F209 WeakPolarHBondContact CA-O 3.24Å; G187-F209 PolarHBondContact N-O 3.33Å; G187-D210 VanDerWaalsContact C-OD2 3.23Å; G187-D210 WeakPolarHBondContact CA-OD2 3.28Å
188	G	95.4	Very high	96.9	Very high	8 Å²	8	22 Å²	22	8%	0.082	12%	0.121	C	C	.	.			trans	-64.6	-6.6	-175.6	0	0	0	0	0	115.2	D185 S190 G191	D185-G188 VanDerWaalsContact CG-CA 3.45Å; D185-G188 PolarHBondContact O-N 2.89Å; D185-G188 WeakPolarHBondContact OD2-CA 3.41Å; G188-S190 PolarHBondContact O-N 3.13Å; G188-S190 VanDerWaalsContact O-N 3.08Å; G188-G191 PolarHBondContact O-N 3.26Å
189	C	95.3	Very high	96.8	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.054	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-110.7	167.9	-173.4	0	0	0	0	113	M157 M160 G187 G191 D210 S218	M157-C189 VanDerWaalsContact CG-SG 3.59Å; M160-C189 HydrophobicContact CB-CB 4.37Å; M160-C189 HydrophobicContact CG-CB 4.36Å; G187-C189 PolarHBondContact O-N 2.91Å; C189-G191 VanDerWaalsContact C-N 3.26Å; C189-G191 PolarHBondContact O-N 2.94Å; C189-D210 VanDerWaalsContact CA-OD2 3.3Å; C189-D210 WeakPolarHBondContact CA-OD2 3.41Å; C189-D210 PolarHBondContact N-OD2 3.07Å; C189-S218 VanDerWaalsContact O-CB 3.28Å; C189-S218 WeakPolarHBondContact O-CB 3.32Å; C189-S218 PolarHBondContact O-OG 3.23Å; C189-S218 VanDerWaalsContact O-OG 3.1Å
190	S	93.8	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.9	-179.6	71.7	0	0	0	0	114	N161 G188 A192 S218 F222	N161-S190 WeakPolarHBondContact CA-OG 3.32Å; N161-S190 WeakPolarHBondContact CB-OG 3.12Å; N161-S190 PolarHBondContact OD1-OG 3.15Å; G188-S190 PolarHBondContact O-N 3.13Å; G188-S190 VanDerWaalsContact O-N 3.08Å; S190-A192 VanDerWaalsContact C-N 3.31Å; S190-A192 PolarHBondContact O-N 3.25Å; S190-A192 PolarHBondContact OG-N 3.24Å; S190-S218 PolarHBondContact O-OG 3.33Å; S190-F222 VanDerWaalsContact O-CB 3.24Å; S190-F222 WeakPolarHBondContact O-CB 3.02Å
191	G	95.4	Very high	96.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	77.3	9	-174.7	0	0	0	0	0	115.1	G188 C189 L193 A194 K195	G188-G191 PolarHBondContact O-N 3.26Å; C189-G191 VanDerWaalsContact C-N 3.26Å; C189-G191 PolarHBondContact O-N 2.94Å; G191-L193 VanDerWaalsContact C-N 3.31Å; G191-L193 PolarHBondContact O-N 2.87Å; G191-A194 WeakPolarHBondContact O-CB 3.46Å; G191-A194 PolarHBondContact O-N 3.38Å; G191-K195 WeakPolarHBondContact O-CG 3.19Å; G191-K195 PolarHBondContact O-N 3.38Å
192	A	95.5	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-38.1	-178.2	0	0	0	0	0	112.7	N161 W164 S190 K195 Q196	N161-A192 HydrophobicContact CB-CB 4.45Å; W164-A192 HydrophobicContact CB-CB 3.75Å; W164-A192 HydrophobicContact CG-CB 4.35Å; S190-A192 VanDerWaalsContact C-N 3.31Å; S190-A192 PolarHBondContact O-N 3.25Å; S190-A192 PolarHBondContact OG-N 3.24Å; A192-K195 WeakPolarHBondContact O-CB 3.34Å; A192-K195 PolarHBondContact O-N 3.35Å; A192-Q196 WeakPolarHBondContact O-CG 3.29Å; A192-Q196 PolarHBondContact O-N 3.41Å; A192-Q196 VanDerWaalsContact O-N 3.16Å
193	L	97	Very high	96.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-69.6	-41.6	175	-167.7	65.8	0	0	0	111.6	W164 V171 V172 G191 K195 Q196 C197 I249 A251	W164-L193 HydrophobicContact CD2-CB 4.39Å; W164-L193 HydrophobicContact CD2-CD1 4.16Å; W164-L193 HydrophobicContact CE3-CD1 4.05Å; W164-L193 HydrophobicContact CG-CB 4.15Å; W164-L193 HydrophobicContact CG-CD1 4.47Å; V171-L193 HydrophobicContact CG2-CD1 3.83Å; V172-L193 HydrophobicContact CG1-CD1 3.55Å; V172-L193 HydrophobicContact CG1-CG 4.11Å; G191-L193 VanDerWaalsContact C-N 3.31Å; G191-L193 PolarHBondContact O-N 2.87Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 3.32Å; L193-Q196 WeakPolarHBondContact O-CA 3.44Å; L193-Q196 WeakPolarHBondContact O-CB 3.37Å; L193-Q196 PolarHBondContact O-N 3.44Å; L193-C197 PolarHBondContact O-N 2.97Å; L193-I249 HydrophobicContact CD2-CG2 3.85Å; L193-A251 HydrophobicContact CD2-CB 3.36Å
194	A	97.4	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.5	-39.1	171.9	0	0	0	0	0	112.8	G191 C197 T198 V206 I208 I230	G191-A194 WeakPolarHBondContact O-CB 3.46Å; G191-A194 PolarHBondContact O-N 3.38Å; A194-C197 WeakPolarHBondContact O-CB 3.32Å; A194-C197 PolarHBondContact O-N 3.32Å; A194-T198 WeakPolarHBondContact O-CG2 3.47Å; A194-T198 PolarHBondContact O-N 3.33Å; A194-T198 PolarHBondContact O-OG1 2.94Å; A194-V206 HydrophobicContact CB-CB 3.97Å; A194-V206 HydrophobicContact CB-CG1 3.52Å; A194-V206 HydrophobicContact CB-CG2 4.37Å; A194-I208 HydrophobicContact CB-CD1 4.21Å; A194-I208 HydrophobicContact CB-CG1 4.05Å; A194-I230 HydrophobicContact CB-CD1 3.92Å; A194-I230 HydrophobicContact CB-CG1 4.37Å; A194-I230 HydrophobicContact CB-CG2 4.44Å
195	K	96.4	Very high	96.4	Very high	44 Å²	44	29.3 Å²	29.3	19%	0.191	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-43.8	172.2	-68.8	-178.1	-174.9	-147.6	0	112.1	G191 A192 L193 C197 T198 L199 F222 D227 I230	G191-K195 WeakPolarHBondContact O-CG 3.19Å; G191-K195 PolarHBondContact O-N 3.38Å; A192-K195 WeakPolarHBondContact O-CB 3.34Å; A192-K195 PolarHBondContact O-N 3.35Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 3.32Å; K195-C197 PolarHBondContact O-N 3.02Å; K195-T198 WeakPolarHBondContact CA-OG1 3.49Å; K195-T198 PolarHBondContact O-N 3.26Å; K195-T198 PolarHBondContact O-OG1 2.79Å; K195-L199 WeakPolarHBondContact O-CB 3.36Å; K195-L199 WeakPolarHBondContact O-CG 3.47Å; K195-L199 PolarHBondContact O-N 3.03Å; K195-F222 WeakPolarHBondContact CE-O 3.44Å; K195-F222 PolarHBondContact NZ-O 3.35Å; K195-D227 WeakPolarHBondContact CE-OD1 3.46Å; K195-D227 VanDerWaalsContact CE-OD2 3.28Å; K195-D227 WeakPolarHBondContact CE-OD2 3.49Å; K195-D227 IonicContact NZ-OD1 2.69Å; K195-D227 IonicContact NZ-OD2 2.93Å; K195-D227 PolarHBondContact NZ-OD2 3.35Å; K195-I230 HydrophobicContact CB-CD1 4.35Å; K195-I230 HydrophobicContact CG-CD1 3.53Å
196	Q	96.3	Very high	96.4	Very high	35 Å²	35	29.1 Å²	29.1	16%	0.164	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-41.1	175.1	-62.6	-56.7	-43.6	0	0	112.1	V172 A192 L193 L199 A200	V172-Q196 HydrophobicContact CG1-CB 4.43Å; V172-Q196 HydrophobicContact CG2-CB 4.29Å; A192-Q196 WeakPolarHBondContact O-CG 3.29Å; A192-Q196 PolarHBondContact O-N 3.41Å; A192-Q196 VanDerWaalsContact O-N 3.16Å; L193-Q196 WeakPolarHBondContact O-CA 3.44Å; L193-Q196 WeakPolarHBondContact O-CB 3.37Å; L193-Q196 PolarHBondContact O-N 3.44Å; Q196-L199 PolarHBondContact O-N 3.17Å; Q196-A200 WeakPolarHBondContact O-CB 3.49Å; Q196-A200 PolarHBondContact O-N 2.95Å
197	C	97.1	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-53.5	174.4	-74.8	0	0	0	0	111.5	V172 L193 A194 K195 L199 A200 Y201 V206	V172-C197 WeakPolarHBondContact CG1-SG 3.3Å; L193-C197 PolarHBondContact O-N 2.97Å; A194-C197 WeakPolarHBondContact O-CB 3.32Å; A194-C197 PolarHBondContact O-N 3.32Å; K195-C197 PolarHBondContact O-N 3.02Å; C197-L199 VanDerWaalsContact C-N 3.31Å; C197-L199 PolarHBondContact O-N 3.43Å; C197-A200 PolarHBondContact O-N 3.49Å; C197-Y201 WeakPolarHBondContact O-CD2 3.2Å; C197-Y201 PolarHBondContact O-N 3.44Å; C197-V206 HydrophobicContact CB-CG2 4.03Å
198	T	97.1	Very high	96.5	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-35.3	-178.7	51.6	0	0	0	0	112.3	A194 K195 Y201 V206 R229 I230	A194-T198 WeakPolarHBondContact O-CG2 3.47Å; A194-T198 PolarHBondContact O-N 3.33Å; A194-T198 PolarHBondContact O-OG1 2.94Å; K195-T198 WeakPolarHBondContact CA-OG1 3.49Å; K195-T198 PolarHBondContact O-N 3.26Å; K195-T198 PolarHBondContact O-OG1 2.79Å; T198-Y201 CarbonylContact O-C 3.43Å; T198-V206 HydrophobicContact CG2-CB 4.49Å; T198-V206 HydrophobicContact CG2-CG2 3.72Å; T198-R229 HydrophobicContact CG2-CB 4Å; T198-R229 PolarHBondContact O-NH1 2.64Å; T198-R229 VanDerWaalsContact O-NH1 3.12Å; T198-R229 PolarHBondContact O-NH2 2.81Å; T198-I230 HydrophobicContact CG2-CG1 4.05Å
199	L	95.4	Very high	96.6	Very high	126 Å²	126	29.3 Å²	29.3	66%	0.66	16%	0.16	S	C	*	.	H	α-helix	trans	-66.8	-39.7	173.8	-73.3	169.9	0	0	0	112.7	K195 Q196 C197	K195-L199 WeakPolarHBondContact O-CB 3.36Å; K195-L199 WeakPolarHBondContact O-CG 3.47Å; K195-L199 PolarHBondContact O-N 3.03Å; Q196-L199 PolarHBondContact O-N 3.17Å; C197-L199 VanDerWaalsContact C-N 3.31Å; C197-L199 PolarHBondContact O-N 3.43Å
200	A	96.5	Very high	96.7	Very high	31 Å²	31	29.6 Å²	29.6	26%	0.256	16%	0.161	S	C	.	.	H	α-helix	trans	-75.4	-33.3	179.4	0	0	0	0	0	112.8	V172 T173 Q196 C197	V172-A200 HydrophobicContact CG2-CB 4.12Å; T173-A200 HydrophobicContact CG2-CB 4.13Å; Q196-A200 WeakPolarHBondContact O-CB 3.49Å; Q196-A200 PolarHBondContact O-N 2.95Å; C197-A200 PolarHBondContact O-N 3.49Å
201	Y	97	Very high	96.9	Very high	31 Å²	31	32.5 Å²	32.5	12%	0.122	18%	0.176	C	C	.	.			trans	-126.3	93.7	-176.1	-57	-78.9	0	0	0	110.2	V172 F175 L177 M178 C197 T198 E203 C204 R229	V172-Y201 WeakPolarHBondContact O-CE2 3.32Å; V172-Y201 PolarHBondContact O-OH 3.37Å; F175-Y201 PolarHBondContact O-OH 3.19Å; F175-Y201 VanDerWaalsContact O-OH 3.13Å; L177-Y201 HydrophobicContact CB-CD2 4.36Å; L177-Y201 HydrophobicContact CB-CE1 4.19Å; L177-Y201 HydrophobicContact CB-CE2 3.8Å; L177-Y201 HydrophobicContact CD1-CE2 4.22Å; L177-Y201 HydrophobicContact CG-CE2 4.27Å; L177-Y201 PolarHBondContact N-OH 3.13Å; M178-Y201 HydrophobicContact CB-CD1 4.26Å; M178-Y201 HydrophobicContact CB-CE1 4.29Å; C197-Y201 WeakPolarHBondContact O-CD2 3.2Å; C197-Y201 PolarHBondContact O-N 3.44Å; T198-Y201 CarbonylContact O-C 3.43Å; Y201-E203 PolarHBondContact O-N 3.07Å; Y201-E203 VanDerWaalsContact O-N 3.14Å; Y201-C204 PolarHBondContact O-N 2.68Å; Y201-C204 PolarHBondContact O-SG 3.48Å; Y201-R229 PolarHBondContact O-NH1 3.06Å
202	P	93.6	Very high	96.9	Very high	98 Å²	98	35.6 Å²	35.6	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.4	-173.3	-26.7	36.2	0	0	0	115.2	R229	P202-R229 PolarHBondContact O-NH1 3.46Å; P202-R229 VanDerWaalsContact O-NH1 3.11Å
203	E	95.4	Very high	96.8	Very high	142 Å²	142	38.9 Å²	38.9	66%	0.664	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.2	-178.7	-62.1	-174.2	165.9	0	0	113.8	K181 Y201	K181-E203 HydrophobicContact CD-CB 4.04Å; K181-E203 WeakPolarHBondContact CE-OE2 3.33Å; K181-E203 IonicContact NZ-OE2 2.66Å; K181-E203 PolarHBondContact NZ-OE2 2.91Å; Y201-E203 PolarHBondContact O-N 3.07Å; Y201-E203 VanDerWaalsContact O-N 3.14Å
204	C	97.6	Very high	96.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.211	C	C	.	.			trans	-85.6	151.5	179.2	79.8	0	0	0	0	112.1	K181 I183 Y201 R229	K181-C204 CarbonylContact O-C 3.57Å; K181-C204 VanDerWaalsContact O-CA 3.23Å; K181-C204 WeakPolarHBondContact O-CA 3.3Å; I183-C204 HydrophobicContact CD1-CB 3.96Å; I183-C204 HydrophobicContact CG1-CB 4.39Å; Y201-C204 PolarHBondContact O-N 2.68Å; Y201-C204 PolarHBondContact O-SG 3.48Å; C204-R229 WeakPolarHBondContact O-CD 3.46Å; C204-R229 PolarHBondContact O-NH1 3.01Å
205	T	98.3	Very high	96.5	Very high	63 Å²	63	39.7 Å²	39.7	39%	0.387	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.6	162.7	57.8	0	0	0	0	109.2	K181 I183 R229	K181-T205 PolarHBondContact O-N 2.72Å; I183-T205 PolarHBondContact N-O 3.41Å; T205-R229 WeakPolarHBondContact CA-O 3.21Å; T205-R229 HydrophobicContact CG2-CB 4.36Å; T205-R229 HydrophobicContact CG2-CG 4.46Å
206	V	98.6	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126	-179.1	-172	0	0	0	0	109.6	I183 D185 A194 C197 T198 R229 I230 S231	I183-V206 HydrophobicContact CB-CG1 4.39Å; I183-V206 HydrophobicContact CB-CG2 4.1Å; I183-V206 HydrophobicContact CD1-CG2 4.41Å; I183-V206 HydrophobicContact CG2-CG1 4.23Å; I183-V206 HydrophobicContact CG2-CG2 4.46Å; I183-V206 CarbonylContact O-C 3.52Å; I183-V206 WeakPolarHBondContact O-CA 3.46Å; D185-V206 HydrophobicContact CB-CG1 3.96Å; A194-V206 HydrophobicContact CB-CB 3.97Å; A194-V206 HydrophobicContact CB-CG1 3.52Å; A194-V206 HydrophobicContact CB-CG2 4.37Å; C197-V206 HydrophobicContact CB-CG2 4.03Å; T198-V206 HydrophobicContact CG2-CB 4.49Å; T198-V206 HydrophobicContact CG2-CG2 3.72Å; V206-R229 PolarHBondContact N-O 3.49Å; V206-I230 CarbonylContact O-C 3.57Å; V206-I230 VanDerWaalsContact O-CA 3.29Å; V206-I230 WeakPolarHBondContact O-CA 3.48Å; V206-S231 PolarHBondContact O-N 2.59Å
207	T	98.4	Very high	96.3	Very high	25 Å²	25	42.5 Å²	42.5	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.4	168	-62.2	0	0	0	0	109.2	I183 C184 D185 F209 S231 H233 P243	I183-T207 PolarHBondContact O-N 2.93Å; C184-T207 CarbonylContact C-O 3.58Å; C184-T207 WeakPolarHBondContact CA-O 3.32Å; D185-T207 PolarHBondContact N-O 2.69Å; T207-F209 PolarHBondContact O-N 2.87Å; T207-S231 CarbonylContact C-O 3.47Å; T207-S231 WeakPolarHBondContact CA-O 3.49Å; T207-S231 PolarHBondContact OG1-OG 3.38Å; T207-H233 HydrophobicContact CG2-CB 3.68Å; T207-P243 HydrophobicContact CG2-CG 4.24Å
208	I	98.4	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.5	170.9	-63.2	165.5	0	0	0	107.6	A194 V223 I230 S231 F232 H233	A194-I208 HydrophobicContact CB-CD1 4.21Å; A194-I208 HydrophobicContact CB-CG1 4.05Å; I208-V223 HydrophobicContact CD1-CG2 4.25Å; I208-I230 HydrophobicContact CD1-CG2 3.41Å; I208-I230 VanDerWaalsContact CD1-CG2 3.41Å; I208-I230 HydrophobicContact CG1-CG2 3.96Å; I208-S231 PolarHBondContact N-O 2.88Å; I208-F232 HydrophobicContact CB-CD1 3.83Å; I208-F232 HydrophobicContact CB-CE1 4.06Å; I208-F232 HydrophobicContact CD1-CD1 4.25Å; I208-F232 HydrophobicContact CD1-CE1 3.66Å; I208-F232 HydrophobicContact CD1-CZ 4.19Å; I208-F232 HydrophobicContact CG1-CE1 4.47Å; I208-F232 HydrophobicContact CG2-CD1 4.05Å; I208-F232 HydrophobicContact CG2-CE1 4.15Å; I208-F232 CarbonylContact O-C 3.45Å; I208-F232 WeakPolarHBondContact O-CA 3.46Å; I208-H233 PolarHBondContact O-N 3.26Å
209	F	98.5	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.1	173.5	-176.6	-75.2	0	0	0	109.5	D185 L186 G187 T207 H233 G235 F237 L242 P243	D185-F209 PolarHBondContact O-N 3.27Å; L186-F209 HydrophobicContact CD2-CB 3.94Å; L186-F209 HydrophobicContact CD2-CD1 3.94Å; L186-F209 HydrophobicContact CD2-CG 3.95Å; G187-F209 WeakPolarHBondContact CA-O 3.24Å; G187-F209 PolarHBondContact N-O 3.33Å; T207-F209 PolarHBondContact O-N 2.87Å; F209-H233 VanDerWaalsContact CA-O 3.23Å; F209-H233 WeakPolarHBondContact CA-O 3.39Å; F209-H233 HydrophobicContact CD2-CB 4.03Å; F209-H233 AromaticContact CD2-CG 3.87Å; F209-H233 AromaticContact CD2-ND1 3.5Å; F209-H233 AromaticContact CE2-CE1 3.84Å; F209-H233 AromaticContact CE2-ND1 3.41Å; F209-H233 WeakPolarHBondContact CE2-ND1 3.19Å; F209-G235 WeakPolarHBondContact CE1-O 3.35Å; F209-F237 HydrophobicContact CD1-CB 4.29Å; F209-F237 HydrophobicContact CE1-CB 3.78Å; F209-L242 HydrophobicContact CE1-CD2 4.42Å; F209-L242 HydrophobicContact CE2-CD2 4.39Å; F209-L242 HydrophobicContact CZ-CD2 4.18Å; F209-P243 VanDerWaalsContact CD2-CD 3.45Å; F209-P243 HydrophobicContact CD2-CG 3.85Å
210	D	98.1	Very high	95.6	Very high	14 Å²	14	43.5 Å²	43.5	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	174.9	-179.2	-144.3	-59.2	0	0	0	111	G187 C189 V214 V215 H233 E234 G235	G187-D210 VanDerWaalsContact C-OD2 3.23Å; G187-D210 WeakPolarHBondContact CA-OD2 3.28Å; C189-D210 VanDerWaalsContact CA-OD2 3.3Å; C189-D210 WeakPolarHBondContact CA-OD2 3.41Å; C189-D210 PolarHBondContact N-OD2 3.07Å; D210-V214 HydrophobicContact CB-CB 4.15Å; D210-V214 HydrophobicContact CB-CG1 4.07Å; D210-V214 VanDerWaalsContact CG-CG1 3.48Å; D210-V214 WeakPolarHBondContact OD1-CB 3.2Å; D210-V214 WeakPolarHBondContact OD1-CG1 3.12Å; D210-V215 HydrophobicContact CB-CG2 3.93Å; D210-H233 PolarHBondContact N-O 3.38Å; D210-E234 CarbonylContact O-C 3.57Å; D210-E234 VanDerWaalsContact O-CA 3.27Å; D210-E234 WeakPolarHBondContact O-CA 3.1Å; D210-G235 CarbonylContact C-O 3.4Å; D210-G235 PolarHBondContact O-N 3.28Å
211	L	96.6	Very high	95.1	Very high	60 Å²	60	47.8 Å²	47.8	31%	0.314	25%	0.249	S	C	.	.			trans	-59.5	145.6	176.3	-63.1	175.9	0	0	0	110.4	F143 Y147 K213 V214 V215 D236	F143-L211 HydrophobicContact CB-CD1 4.45Å; Y147-L211 HydrophobicContact CE2-CD1 4.44Å; L211-K213 PolarHBondContact O-N 3.28Å; L211-V214 HydrophobicContact CB-CG2 4.23Å; L211-V214 WeakPolarHBondContact O-CA 3.31Å; L211-V214 WeakPolarHBondContact O-CB 3.31Å; L211-V214 PolarHBondContact O-N 2.81Å; L211-V215 PolarHBondContact O-N 3.35Å; L211-D236 HydrophobicContact CD2-CB 4.41Å
212	P	95.3	Very high	94.8	Very high	65 Å²	65	47 Å²	47	42%	0.422	25%	0.246	S	C	.	.	H	α-helix	trans	-48.9	-41.3	-175.8	-30	33.3	0	0	0	114.7	R216 E234	P212-R216 PolarHBondContact O-N 2.87Å; P212-E234 HydrophobicContact CB-CB 4.16Å; P212-E234 WeakPolarHBondContact CB-OE2 3.45Å; P212-E234 HydrophobicContact CG-CB 4.04Å; P212-E234 HydrophobicContact CG-CG 4.43Å
213	K	93.1	Very high	94.6	Very high	70 Å²	70	43.2 Å²	43.2	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-68.4	-36.2	-179.9	-164.6	-176.5	174.5	-177	0	112.8	D150 M153 L211 V217	D150-K213 WeakPolarHBondContact OD1-CE 3.41Å; D150-K213 IonicContact OD1-NZ 3.64Å; D150-K213 PolarHBondContact OD1-NZ 3.46Å; M153-K213 HydrophobicContact CE-CD 4.22Å; M153-K213 HydrophobicContact CE-CG 3.9Å; M153-K213 HydrophobicContact SD-CB 4.29Å; M153-K213 HydrophobicContact SD-CD 3.77Å; M153-K213 HydrophobicContact SD-CG 3.79Å; L211-K213 PolarHBondContact O-N 3.28Å; K213-V217 WeakPolarHBondContact O-CG2 3.37Å; K213-V217 PolarHBondContact O-N 2.94Å
214	V	94.4	Very high	94.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-72.4	-44.6	178.1	179.9	0	0	0	0	109.9	Y147 M153 M157 D210 L211 R216 V217 S218	Y147-V214 HydrophobicContact CD2-CG2 4.44Å; Y147-V214 HydrophobicContact CE2-CG2 3.75Å; M153-V214 HydrophobicContact SD-CG2 4.08Å; M157-V214 HydrophobicContact CE-CG1 3.86Å; M157-V214 HydrophobicContact SD-CG1 4.16Å; D210-V214 HydrophobicContact CB-CB 4.15Å; D210-V214 HydrophobicContact CB-CG1 4.07Å; D210-V214 VanDerWaalsContact CG-CG1 3.48Å; D210-V214 WeakPolarHBondContact OD1-CB 3.2Å; D210-V214 WeakPolarHBondContact OD1-CG1 3.12Å; L211-V214 HydrophobicContact CB-CG2 4.23Å; L211-V214 WeakPolarHBondContact O-CA 3.31Å; L211-V214 WeakPolarHBondContact O-CB 3.31Å; L211-V214 PolarHBondContact O-N 2.81Å; V214-R216 VanDerWaalsContact C-N 3.33Å; V214-R216 PolarHBondContact O-N 2.71Å; V214-V217 PolarHBondContact O-N 3.13Å; V214-S218 WeakPolarHBondContact O-CB 3.45Å; V214-S218 PolarHBondContact O-N 3.11Å
215	V	95.4	Very high	93.8	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-54.8	-48.9	174.8	165.3	0	0	0	0	111.3	D210 L211 V217 S218 G219 F232 E234	D210-V215 HydrophobicContact CB-CG2 3.93Å; L211-V215 PolarHBondContact O-N 3.35Å; V215-V217 PolarHBondContact O-N 3.22Å; V215-S218 PolarHBondContact O-N 3.35Å; V215-G219 PolarHBondContact O-N 3.22Å; V215-F232 HydrophobicContact CB-CD1 4.42Å; V215-F232 HydrophobicContact CG1-CB 3.61Å; V215-F232 HydrophobicContact CG1-CD1 3.89Å; V215-F232 HydrophobicContact CG1-CG 3.87Å; V215-F232 HydrophobicContact CG2-CD1 4.3Å; V215-E234 HydrophobicContact CB-CB 4.31Å; V215-E234 HydrophobicContact CG2-CB 4.08Å
216	R	93.8	Very high	93.2	Very high	130 Å²	130	50.3 Å²	50.3	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-56.6	-52.6	178.1	-175.4	179.9	68.8	-155.8	2.8	111.9	P212 V214 S218 G219 E220	P212-R216 PolarHBondContact O-N 2.87Å; V214-R216 VanDerWaalsContact C-N 3.33Å; V214-R216 PolarHBondContact O-N 2.71Å; R216-S218 VanDerWaalsContact C-N 3.3Å; R216-S218 PolarHBondContact O-N 3.4Å; R216-G219 PolarHBondContact O-N 3.27Å; R216-E220 WeakPolarHBondContact CG-OE1 3.33Å; R216-E220 WeakPolarHBondContact O-CG 3.46Å; R216-E220 PolarHBondContact O-N 3.22Å
217	V	93.1	Very high	92.9	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-34	-179.1	170.7	0	0	0	0	111.8	M153 V154 M157 K213 V214 V215 E220 H221 F222	M153-V217 HydrophobicContact CE-CB 3.85Å; M153-V217 HydrophobicContact CE-CG1 4.18Å; M153-V217 HydrophobicContact CE-CG2 3.33Å; V154-V217 HydrophobicContact CG2-CG1 3.79Å; M157-V217 HydrophobicContact CE-CB 4.21Å; M157-V217 HydrophobicContact CE-CG1 3.91Å; M157-V217 HydrophobicContact SD-CB 3.93Å; M157-V217 HydrophobicContact SD-CG1 3.45Å; M157-V217 WeakPolarHBondContact SD-CG1 3.37Å; K213-V217 WeakPolarHBondContact O-CG2 3.37Å; K213-V217 PolarHBondContact O-N 2.94Å; V214-V217 PolarHBondContact O-N 3.13Å; V215-V217 PolarHBondContact O-N 3.22Å; V217-E220 PolarHBondContact O-N 3.45Å; V217-H221 WeakPolarHBondContact O-CB 3.5Å; V217-H221 PolarHBondContact O-CD2 3.21Å; V217-H221 PolarHBondContact O-N 3.4Å; V217-F222 HydrophobicContact CG1-CE2 4.39Å
218	S	93.3	Very high	92.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-44.5	175.3	-171	0	0	0	0	111.7	C189 S190 V214 V215 R216 E220 F222 V223 F232	C189-S218 VanDerWaalsContact O-CB 3.28Å; C189-S218 WeakPolarHBondContact O-CB 3.32Å; C189-S218 PolarHBondContact O-OG 3.23Å; C189-S218 VanDerWaalsContact O-OG 3.1Å; S190-S218 PolarHBondContact O-OG 3.33Å; V214-S218 WeakPolarHBondContact O-CB 3.45Å; V214-S218 PolarHBondContact O-N 3.11Å; V215-S218 PolarHBondContact O-N 3.35Å; R216-S218 VanDerWaalsContact C-N 3.3Å; R216-S218 PolarHBondContact O-N 3.4Å; S218-E220 VanDerWaalsContact C-N 3.34Å; S218-F222 PolarHBondContact O-N 2.89Å; S218-V223 PolarHBondContact O-N 2.92Å; S218-F232 WeakPolarHBondContact OG-CE1 3.46Å
219	G	91.8	Very high	92.5	Very high	36 Å²	36	62.8 Å²	62.8	37%	0.371	33%	0.325	S	S	.	.	H	α-helix	trans	-67.3	-31.5	176.6	0	0	0	0	0	113.6	V215 R216	V215-G219 PolarHBondContact O-N 3.22Å; R216-G219 PolarHBondContact O-N 3.27Å
220	E	90.8	Very high	92.5	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-78.4	-33.9	179.6	-73.7	169.4	176.6	0	0	113.3	R216 V217 S218	R216-E220 WeakPolarHBondContact CG-OE1 3.33Å; R216-E220 WeakPolarHBondContact O-CG 3.46Å; R216-E220 PolarHBondContact O-N 3.22Å; V217-E220 PolarHBondContact O-N 3.45Å; S218-E220 VanDerWaalsContact C-N 3.34Å
221	H	86.8	Confident	92.4	Very high	120 Å²	120	65.5 Å²	65.5	56%	0.556	34%	0.343	S	S	*	.	H	α-helix	trans	-120.4	-22.8	-166.1	-67.1	-75.1	0	0	0	115.8	V217	V217-H221 WeakPolarHBondContact O-CB 3.5Å; V217-H221 PolarHBondContact O-CD2 3.21Å; V217-H221 PolarHBondContact O-N 3.4Å
222	F	89.8	Confident	92.5	Very high	15 Å²	15	65.8 Å²	65.8	7%	0.066	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-44.1	-166.5	-63.2	-88.2	0	0	0	113.2	M157 H158 N161 S190 K195 V217 S218	M157-F222 HydrophobicContact CB-CE2 3.99Å; M157-F222 HydrophobicContact CB-CZ 3.88Å; M157-F222 HydrophobicContact CE-CD2 4.06Å; M157-F222 HydrophobicContact CE-CE2 3.88Å; M157-F222 HydrophobicContact SD-CE2 4.45Å; H158-F222 AromaticContact CE1-CE1 3.51Å; H158-F222 AromaticContact CE1-CZ 3.46Å; H158-F222 VanDerWaalsContact CE1-CZ 3.46Å; H158-F222 WeakPolarHBondContact CE1-CZ 3.47Å; H158-F222 AromaticContact CG-CZ 3.92Å; H158-F222 AromaticContact ND1-CE1 3.33Å; H158-F222 VanDerWaalsContact ND1-CE1 3.33Å; H158-F222 WeakPolarHBondContact ND1-CE1 3.18Å; H158-F222 AromaticContact ND1-CZ 3.5Å; H158-F222 AromaticContact NE2-CZ 3.89Å; N161-F222 HydrophobicContact CB-CD1 4.26Å; N161-F222 HydrophobicContact CB-CE1 3.99Å; S190-F222 VanDerWaalsContact O-CB 3.24Å; S190-F222 WeakPolarHBondContact O-CB 3.02Å; K195-F222 WeakPolarHBondContact CE-O 3.44Å; K195-F222 PolarHBondContact NZ-O 3.35Å; V217-F222 HydrophobicContact CG1-CE2 4.39Å; S218-F222 PolarHBondContact O-N 2.89Å
223	V	90.3	Very high	92.6	Very high	19 Å²	19	66 Å²	66	12%	0.115	34%	0.338	C	S	.	.			trans	-93.8	132.5	178.5	179.7	0	0	0	0	109.1	I208 S218 D227 I230 F232	I208-V223 HydrophobicContact CD1-CG2 4.25Å; S218-V223 PolarHBondContact O-N 2.92Å; V223-D227 HydrophobicContact CG1-CB 3.76Å; V223-I230 HydrophobicContact CG1-CB 4.39Å; V223-I230 HydrophobicContact CG1-CG2 4.28Å; V223-I230 HydrophobicContact CG2-CG2 4.38Å; V223-F232 HydrophobicContact CB-CE2 4Å; V223-F232 HydrophobicContact CB-CZ 3.71Å; V223-F232 HydrophobicContact CG1-CE2 4.05Å; V223-F232 HydrophobicContact CG1-CZ 4.16Å; V223-F232 HydrophobicContact CG2-CE1 4.35Å; V223-F232 HydrophobicContact CG2-CE2 4.24Å; V223-F232 HydrophobicContact CG2-CZ 3.51Å
224	T	90.3	Very high	92.8	Very high	81 Å²	81	68.1 Å²	68.1	50%	0.497	35%	0.348	S	S	.	.			trans	-118.3	170.6	-172.8	66	0	0	0	0	111	A226 D227	T224-A226 PolarHBondContact O-N 3.39Å; T224-A226 PolarHBondContact OG1-N 2.94Å; T224-D227 PolarHBondContact N-OD2 3.46Å; T224-D227 WeakPolarHBondContact O-CB 3.48Å; T224-D227 PolarHBondContact O-N 3.47Å; T224-D227 PolarHBondContact OG1-OD2 3.48Å
225	E	84.4	Confident	93	Very high	186 Å²	186	68.3 Å²	68.3	87%	0.869	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.8	175	-63.2	-174.4	164.4	0	0	113.8	D227 Q228	E225-D227 VanDerWaalsContact C-N 3.27Å; E225-Q228 VanDerWaalsContact O-CG 3.24Å; E225-Q228 WeakPolarHBondContact O-CG 3.37Å
226	A	86.8	Confident	93	Very high	87 Å²	87	69.1 Å²	69.1	72%	0.719	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.7	174.7	0	0	0	0	0	112.6	T224 Q228	T224-A226 PolarHBondContact O-N 3.39Å; T224-A226 PolarHBondContact OG1-N 2.94Å; A226-Q228 VanDerWaalsContact C-N 3.25Å; A226-Q228 PolarHBondContact O-N 2.86Å; A226-Q228 VanDerWaalsContact O-N 3.15Å
227	D	91.6	Very high	93.2	Very high	28 Å²	28	64 Å²	64	15%	0.15	34%	0.336	C	S	.	.			trans	-89.4	44.8	-175.6	-60.1	-65.2	0	0	0	111.7	K195 V223 T224 E225 R229 I230	K195-D227 WeakPolarHBondContact CE-OD1 3.46Å; K195-D227 VanDerWaalsContact CE-OD2 3.28Å; K195-D227 WeakPolarHBondContact CE-OD2 3.49Å; K195-D227 IonicContact NZ-OD1 2.69Å; K195-D227 IonicContact NZ-OD2 2.93Å; K195-D227 PolarHBondContact NZ-OD2 3.35Å; V223-D227 HydrophobicContact CG1-CB 3.76Å; T224-D227 PolarHBondContact N-OD2 3.46Å; T224-D227 WeakPolarHBondContact O-CB 3.48Å; T224-D227 PolarHBondContact O-N 3.47Å; T224-D227 PolarHBondContact OG1-OD2 3.48Å; E225-D227 VanDerWaalsContact C-N 3.27Å; D227-R229 PolarHBondContact O-N 3.09Å; D227-I230 HydrophobicContact CB-CB 4.4Å; D227-I230 HydrophobicContact CB-CD1 4.14Å; D227-I230 HydrophobicContact CB-CG1 4.4Å; D227-I230 PolarHBondContact O-N 3.35Å
228	Q	92.3	Very high	93.3	Very high	177 Å²	177	64.4 Å²	64.4	83%	0.827	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.3	-168.9	-62.2	-177	-8.6	0	0	115.9	E225 A226	E225-Q228 VanDerWaalsContact O-CG 3.24Å; E225-Q228 WeakPolarHBondContact O-CG 3.37Å; A226-Q228 VanDerWaalsContact C-N 3.25Å; A226-Q228 PolarHBondContact O-N 2.86Å; A226-Q228 VanDerWaalsContact O-N 3.15Å
229	R	96.5	Very high	93.4	Very high	83 Å²	83	71.6 Å²	71.6	31%	0.313	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.9	179.3	-67.3	-176.4	-66.9	129.6	-9.2	113.1	T198 Y201 P202 C204 T205 V206 D227	T198-R229 HydrophobicContact CG2-CB 4Å; T198-R229 PolarHBondContact O-NH1 2.64Å; T198-R229 VanDerWaalsContact O-NH1 3.12Å; T198-R229 PolarHBondContact O-NH2 2.81Å; Y201-R229 PolarHBondContact O-NH1 3.06Å; P202-R229 PolarHBondContact O-NH1 3.46Å; P202-R229 VanDerWaalsContact O-NH1 3.11Å; C204-R229 WeakPolarHBondContact O-CD 3.46Å; C204-R229 PolarHBondContact O-NH1 3.01Å; T205-R229 WeakPolarHBondContact CA-O 3.21Å; T205-R229 HydrophobicContact CG2-CB 4.36Å; T205-R229 HydrophobicContact CG2-CG 4.46Å; V206-R229 PolarHBondContact N-O 3.49Å; D227-R229 PolarHBondContact O-N 3.09Å
230	I	97.8	Very high	93.7	Very high	15 Å²	15	73.4 Å²	73.4	8%	0.077	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.2	175.8	-57.6	-177.7	0	0	0	108.3	A194 K195 T198 V206 I208 V223 D227	A194-I230 HydrophobicContact CB-CD1 3.92Å; A194-I230 HydrophobicContact CB-CG1 4.37Å; A194-I230 HydrophobicContact CB-CG2 4.44Å; K195-I230 HydrophobicContact CB-CD1 4.35Å; K195-I230 HydrophobicContact CG-CD1 3.53Å; T198-I230 HydrophobicContact CG2-CG1 4.05Å; V206-I230 CarbonylContact O-C 3.57Å; V206-I230 VanDerWaalsContact O-CA 3.29Å; V206-I230 WeakPolarHBondContact O-CA 3.48Å; I208-I230 HydrophobicContact CD1-CG2 3.41Å; I208-I230 VanDerWaalsContact CD1-CG2 3.41Å; I208-I230 HydrophobicContact CG1-CG2 3.96Å; V223-I230 HydrophobicContact CG1-CB 4.39Å; V223-I230 HydrophobicContact CG1-CG2 4.28Å; V223-I230 HydrophobicContact CG2-CG2 4.38Å; D227-I230 HydrophobicContact CB-CB 4.4Å; D227-I230 HydrophobicContact CB-CD1 4.14Å; D227-I230 HydrophobicContact CB-CG1 4.4Å; D227-I230 PolarHBondContact O-N 3.35Å
231	S	96.9	Very high	93.9	Very high	56 Å²	56	72 Å²	72	39%	0.392	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	169.4	173.5	66	0	0	0	0	110.7	V206 T207 I208	V206-S231 PolarHBondContact O-N 2.59Å; T207-S231 CarbonylContact C-O 3.47Å; T207-S231 WeakPolarHBondContact CA-O 3.49Å; T207-S231 PolarHBondContact OG1-OG 3.38Å; I208-S231 PolarHBondContact N-O 2.88Å
232	F	97.7	Very high	94.4	Very high	65 Å²	65	67.2 Å²	67.2	29%	0.285	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.3	-179.3	-66.5	-80.7	0	0	0	111.6	I208 V215 S218 V223	I208-F232 HydrophobicContact CB-CD1 3.83Å; I208-F232 HydrophobicContact CB-CE1 4.06Å; I208-F232 HydrophobicContact CD1-CD1 4.25Å; I208-F232 HydrophobicContact CD1-CE1 3.66Å; I208-F232 HydrophobicContact CD1-CZ 4.19Å; I208-F232 HydrophobicContact CG1-CE1 4.47Å; I208-F232 HydrophobicContact CG2-CD1 4.05Å; I208-F232 HydrophobicContact CG2-CE1 4.15Å; I208-F232 CarbonylContact O-C 3.45Å; I208-F232 WeakPolarHBondContact O-CA 3.46Å; V215-F232 HydrophobicContact CB-CD1 4.42Å; V215-F232 HydrophobicContact CG1-CB 3.61Å; V215-F232 HydrophobicContact CG1-CD1 3.89Å; V215-F232 HydrophobicContact CG1-CG 3.87Å; V215-F232 HydrophobicContact CG2-CD1 4.3Å; S218-F232 WeakPolarHBondContact OG-CE1 3.46Å; V223-F232 HydrophobicContact CB-CE2 4Å; V223-F232 HydrophobicContact CB-CZ 3.71Å; V223-F232 HydrophobicContact CG1-CE2 4.05Å; V223-F232 HydrophobicContact CG1-CZ 4.16Å; V223-F232 HydrophobicContact CG2-CE1 4.35Å; V223-F232 HydrophobicContact CG2-CE2 4.24Å; V223-F232 HydrophobicContact CG2-CZ 3.51Å
233	H	97.9	Very high	94.7	Very high	71 Å²	71	67.5 Å²	67.5	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	114	166.7	-172.8	-54.4	0	0	0	108.8	T207 I208 F209 D210 P243	T207-H233 HydrophobicContact CG2-CB 3.68Å; I208-H233 PolarHBondContact O-N 3.26Å; F209-H233 VanDerWaalsContact CA-O 3.23Å; F209-H233 WeakPolarHBondContact CA-O 3.39Å; F209-H233 HydrophobicContact CD2-CB 4.03Å; F209-H233 AromaticContact CD2-CG 3.87Å; F209-H233 AromaticContact CD2-ND1 3.5Å; F209-H233 AromaticContact CE2-CE1 3.84Å; F209-H233 AromaticContact CE2-ND1 3.41Å; F209-H233 WeakPolarHBondContact CE2-ND1 3.19Å; D210-H233 PolarHBondContact N-O 3.38Å; H233-P243 HydrophobicContact CB-CG 3.92Å
234	E	97.8	Very high	95	Very high	114 Å²	114	70.8 Å²	70.8	53%	0.533	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	145.2	177.9	57.8	-178.9	-152.4	0	0	112.6	D210 P212 V215	D210-E234 CarbonylContact O-C 3.57Å; D210-E234 VanDerWaalsContact O-CA 3.27Å; D210-E234 WeakPolarHBondContact O-CA 3.1Å; P212-E234 HydrophobicContact CB-CB 4.16Å; P212-E234 WeakPolarHBondContact CB-OE2 3.45Å; P212-E234 HydrophobicContact CG-CB 4.04Å; P212-E234 HydrophobicContact CG-CG 4.43Å; V215-E234 HydrophobicContact CB-CB 4.31Å; V215-E234 HydrophobicContact CG2-CB 4.08Å
235	G	97.3	Very high	95.3	Very high	5 Å²	5	67 Å²	67	5%	0.052	35%	0.351	C	S	.	.	S	Bend	trans	164.4	175.2	174	0	0	0	0	0	114.2	F209 D210 D240	F209-G235 WeakPolarHBondContact CE1-O 3.35Å; D210-G235 CarbonylContact C-O 3.4Å; D210-G235 PolarHBondContact O-N 3.28Å; G235-D240 WeakPolarHBondContact CA-OD2 3.24Å
236	D	96.9	Very high	96	Very high	33 Å²	33	60.3 Å²	60.3	18%	0.176	32%	0.321	C	S	.	.			trans	-101.8	114.5	171	177.2	-20.4	0	0	0	108.9	L211 F238 K239 D240	L211-D236 HydrophobicContact CD2-CB 4.41Å; D236-F238 PolarHBondContact O-N 2.93Å; D236-F238 VanDerWaalsContact O-N 3.09Å; D236-F238 WeakPolarHBondContact OD1-CB 3.45Å; D236-F238 PolarHBondContact OD1-N 3.18Å; D236-K239 HydrophobicContact CB-CB 4.24Å; D236-K239 HydrophobicContact CB-CD 4.43Å; D236-K239 HydrophobicContact CB-CG 4.43Å; D236-K239 PolarHBondContact O-N 3.36Å; D236-K239 VanDerWaalsContact OD2-CD 3.31Å; D236-K239 WeakPolarHBondContact OD2-CD 3.36Å; D236-K239 VanDerWaalsContact OD2-CE 3.31Å; D236-K239 WeakPolarHBondContact OD2-CE 3.47Å; D236-K239 IonicContact OD2-NZ 3.28Å; D236-K239 PolarHBondContact OD2-NZ 2.86Å; D236-D240 PolarHBondContact N-OD2 3.1Å; D236-D240 PolarHBondContact O-N 3.48Å
237	F	97	Very high	96.5	Very high	24 Å²	24	56.1 Å²	56.1	11%	0.105	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.3	-174.3	50.4	-127.8	0	0	0	113.9	L186 F209 L242 I253 W257 L265 R268	L186-F237 HydrophobicContact CD2-CB 4.48Å; F209-F237 HydrophobicContact CD1-CB 4.29Å; F209-F237 HydrophobicContact CE1-CB 3.78Å; F237-L242 HydrophobicContact CB-CD2 3.85Å; F237-I253 HydrophobicContact CE1-CG2 4.24Å; F237-I253 HydrophobicContact CZ-CG2 4.05Å; F237-W257 HydrophobicContact CE2-CZ2 4.38Å; F237-W257 HydrophobicContact CZ-CZ2 4.2Å; F237-L265 HydrophobicContact CB-CD1 3.92Å; F237-L265 HydrophobicContact CD2-CD1 3.63Å; F237-L265 HydrophobicContact CD2-CD2 4.03Å; F237-L265 HydrophobicContact CD2-CG 4.41Å; F237-L265 HydrophobicContact CE2-CD1 4.33Å; F237-L265 HydrophobicContact CE2-CD2 3.89Å; F237-L265 HydrophobicContact CG-CD1 3.89Å; F237-L265 HydrophobicContact CZ-CD2 4.32Å; F237-R268 WeakPolarHBondContact O-CD 3.44Å; F237-R268 PolarHBondContact O-NE 3.41Å
238	F	96.5	Very high	96.9	Very high	16 Å²	16	54.8 Å²	54.8	7%	0.07	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.6	173.7	-70.7	-64.5	0	0	0	112.2	D236 W257 R261 E264 L265 R268	D236-F238 PolarHBondContact O-N 2.93Å; D236-F238 VanDerWaalsContact O-N 3.09Å; D236-F238 WeakPolarHBondContact OD1-CB 3.45Å; D236-F238 PolarHBondContact OD1-N 3.18Å; F238-W257 HydrophobicContact CE2-CD2 4.2Å; F238-W257 AromaticContact CE2-CE2 3.85Å; F238-W257 HydrophobicContact CE2-CE3 4.36Å; F238-W257 AromaticContact CE2-CH2 3.84Å; F238-W257 HydrophobicContact CE2-CH2 3.84Å; F238-W257 AromaticContact CE2-CZ2 3.64Å; F238-W257 HydrophobicContact CE2-CZ2 3.64Å; F238-W257 HydrophobicContact CE2-CZ3 4.21Å; F238-W257 HydrophobicContact CZ-CD2 4.05Å; F238-W257 AromaticContact CZ-CE2 3.99Å; F238-W257 HydrophobicContact CZ-CE3 4.42Å; F238-W257 HydrophobicContact CZ-CG 4.41Å; F238-W257 HydrophobicContact CZ-CZ2 4.26Å; F238-R261 HydrophobicContact CE1-CB 4.42Å; F238-R261 HydrophobicContact CZ-CB 4.25Å; F238-E264 HydrophobicContact CD1-CG 4.34Å; F238-L265 HydrophobicContact CD1-CB 4.4Å; F238-L265 HydrophobicContact CE1-CB 3.83Å; F238-R268 VanDerWaalsContact O-CZ 3.23Å; F238-R268 PolarHBondContact O-NE 2.84Å; F238-R268 PolarHBondContact O-NH1 3.41Å
239	K	95.3	Very high	97.2	Very high	151 Å²	151	46.4 Å²	46.4	66%	0.657	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-51.6	-172.5	-60.8	-179.6	-173	125	0	112.2	D236 R268	D236-K239 HydrophobicContact CB-CB 4.24Å; D236-K239 HydrophobicContact CB-CD 4.43Å; D236-K239 HydrophobicContact CB-CG 4.43Å; D236-K239 PolarHBondContact O-N 3.36Å; D236-K239 VanDerWaalsContact OD2-CD 3.31Å; D236-K239 WeakPolarHBondContact OD2-CD 3.36Å; D236-K239 VanDerWaalsContact OD2-CE 3.31Å; D236-K239 WeakPolarHBondContact OD2-CE 3.47Å; D236-K239 IonicContact OD2-NZ 3.28Å; D236-K239 PolarHBondContact OD2-NZ 2.86Å; K239-R268 PolarHBondContact O-NH2 2.81Å
240	D	97.4	Very high	97.3	Very high	74 Å²	74	42.5 Å²	42.5	40%	0.396	23%	0.226	S	C	.	.	S	Bend	trans	-86.3	160	-167.6	-58.6	-39.7	0	0	0	112.8	G235 D236 L242 R268	G235-D240 WeakPolarHBondContact CA-OD2 3.24Å; D236-D240 PolarHBondContact N-OD2 3.1Å; D236-D240 PolarHBondContact O-N 3.48Å; D240-L242 PolarHBondContact O-N 2.9Å; D240-R268 PolarHBondContact O-NH2 2.81Å
241	S	95.7	Very high	97.3	Very high	91 Å²	91	42.2 Å²	42.2	64%	0.636	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-65.5	131.9	176.6	53.8	0	0	0	0	110.8
242	L	97.5	Very high	97.4	Very high	21 Å²	21	41 Å²	41	11%	0.11	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-80	142.3	176.3	-54.4	-177.6	0	0	0	110.5	L186 F209 F237 D240 Y248 R268 I269 A272	L186-L242 HydrophobicContact CD1-CD1 4.38Å; L186-L242 HydrophobicContact CD2-CD1 4.47Å; L186-L242 HydrophobicContact CD2-CD2 3.84Å; F209-L242 HydrophobicContact CE1-CD2 4.42Å; F209-L242 HydrophobicContact CE2-CD2 4.39Å; F209-L242 HydrophobicContact CZ-CD2 4.18Å; F237-L242 HydrophobicContact CB-CD2 3.85Å; D240-L242 PolarHBondContact O-N 2.9Å; L242-Y248 HydrophobicContact CB-CE1 4.34Å; L242-R268 HydrophobicContact CD1-CB 4.48Å; L242-I269 HydrophobicContact CD1-CB 4.42Å; L242-I269 HydrophobicContact CD1-CG1 3.69Å; L242-A272 HydrophobicContact CB-CB 4.22Å
243	P	95.6	Very high	97.4	Very high	21 Å²	21	38.5 Å²	38.5	14%	0.136	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-55.2	145.8	170.4	-23.1	32.4	0	0	0	110.9	T207 F209 H233 A245 Y248	T207-P243 HydrophobicContact CG2-CG 4.24Å; F209-P243 VanDerWaalsContact CD2-CD 3.45Å; F209-P243 HydrophobicContact CD2-CG 3.85Å; H233-P243 HydrophobicContact CB-CG 3.92Å; P243-A245 PolarHBondContact O-N 3.34Å; P243-Y248 VanDerWaalsContact O-CE1 3.28Å; P243-Y248 WeakPolarHBondContact O-CE1 3.44Å; P243-Y248 PolarHBondContact O-OH 3.28Å
244	V	94.9	Very high	97.4	Very high	87 Å²	87	35.1 Å²	35.1	53%	0.527	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-73.9	125.2	174.5	175.4	0	0	0	0	109.2	K274	V244-K274 HydrophobicContact CG1-CD 4.22Å; V244-K274 VanDerWaalsContact CG1-NZ 3.35Å
245	A	98.1	Very high	97.4	Very high	1 Å²	1	30 Å²	30	1%	0.008	16%	0.162	C	C	.	.			trans	-141.4	157.5	179.5	0	0	0	0	0	112.4	V182 C184 P243 Y248 S277	V182-A245 HydrophobicContact CG1-CB 4.34Å; C184-A245 HydrophobicContact CB-CB 3.63Å; P243-A245 PolarHBondContact O-N 3.34Å; A245-Y248 HydrophobicContact CB-CD1 4.48Å; A245-Y248 HydrophobicContact CB-CD2 4.5Å; A245-Y248 HydrophobicContact CB-CE1 4.08Å; A245-Y248 HydrophobicContact CB-CE2 4.11Å; A245-Y248 PolarHBondContact N-OH 3.07Å; A245-S277 PolarHBondContact O-OG 3.45Å; A245-S277 VanDerWaalsContact O-OG 3.13Å
246	D	98.1	Very high	97.4	Very high	46 Å²	46	30.4 Å²	30.4	25%	0.246	16%	0.164	C	C	.	.	S	Bend	trans	-79.5	-33.4	171.4	-50.9	-35.5	0	0	0	110.1	F180 K181 V182 S277 A278	F180-D246 HydrophobicContact CB-CB 4.05Å; F180-D246 HydrophobicContact CD1-CB 3.96Å; F180-D246 WeakPolarHBondContact CD1-O 3.4Å; K181-D246 PolarHBondContact N-OD2 3.04Å; K181-D246 VanDerWaalsContact N-OD2 3.11Å; V182-D246 PolarHBondContact N-OD2 3.46Å; V182-D246 WeakPolarHBondContact O-CA 3.28Å; V182-D246 WeakPolarHBondContact O-CB 3.34Å; V182-D246 PolarHBondContact O-N 3.47Å; D246-S277 CarbonylContact O-C 3.52Å; D246-S277 WeakPolarHBondContact O-CA 3.31Å; D246-S277 WeakPolarHBondContact O-CB 3.18Å; D246-A278 PolarHBondContact O-N 3.47Å
247	L	98.8	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.1	175.6	-178.7	69.4	0	0	0	110.8	L177 F180 V182 I183 C184 I249 A278 L280 L342	L177-L247 HydrophobicContact CD1-CD2 3.95Å; L177-L247 HydrophobicContact CD2-CD2 4.09Å; L177-L247 HydrophobicContact CG-CD2 4.43Å; F180-L247 HydrophobicContact CB-CB 3.69Å; F180-L247 HydrophobicContact CB-CD2 4.47Å; F180-L247 HydrophobicContact CD1-CB 4.11Å; F180-L247 HydrophobicContact CD2-CB 4.23Å; F180-L247 HydrophobicContact CD2-CD1 4.29Å; F180-L247 HydrophobicContact CD2-CD2 4.18Å; F180-L247 HydrophobicContact CD2-CG 4.49Å; F180-L247 HydrophobicContact CE2-CD1 4.37Å; F180-L247 HydrophobicContact CG-CB 3.76Å; F180-L247 HydrophobicContact CG-CD2 4.48Å; F180-L247 HydrophobicContact CG-CG 4.49Å; V182-L247 PolarHBondContact O-N 2.93Å; I183-L247 CarbonylContact C-O 3.46Å; I183-L247 WeakPolarHBondContact CA-O 3.47Å; I183-L247 HydrophobicContact CD1-CD2 4.29Å; I183-L247 HydrophobicContact CG1-CB 4.25Å; I183-L247 HydrophobicContact CG1-CD2 4.4Å; I183-L247 HydrophobicContact CG2-CB 4.48Å; I183-L247 HydrophobicContact CG2-CD2 4.37Å; C184-L247 PolarHBondContact N-O 2.87Å; L247-I249 HydrophobicContact CD2-CD1 4.2Å; L247-I249 HydrophobicContact CD2-CG1 4.01Å; L247-I249 HydrophobicContact CG-CG1 4.16Å; L247-A278 WeakPolarHBondContact CA-O 3.47Å; L247-A278 HydrophobicContact CD1-CB 3.81Å; L247-L280 HydrophobicContact CD1-CB 4.02Å; L247-L342 HydrophobicContact CD1-CD1 4.11Å
248	Y	98.8	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.4	166.9	-65	-91.1	0	0	0	109.4	C184 L186 L242 P243 A245 I269 A272 C273 A278 V279 L280	C184-Y248 HydrophobicContact CB-CD1 3.72Å; C184-Y248 HydrophobicContact CB-CE1 3.88Å; C184-Y248 CarbonylContact O-C 3.57Å; C184-Y248 WeakPolarHBondContact O-CA 3.37Å; L186-Y248 HydrophobicContact CD1-CD1 3.85Å; L186-Y248 HydrophobicContact CD1-CG 4.45Å; L186-Y248 HydrophobicContact CG-CD1 4.25Å; L242-Y248 HydrophobicContact CB-CE1 4.34Å; P243-Y248 VanDerWaalsContact O-CE1 3.28Å; P243-Y248 WeakPolarHBondContact O-CE1 3.44Å; P243-Y248 PolarHBondContact O-OH 3.28Å; A245-Y248 HydrophobicContact CB-CD1 4.48Å; A245-Y248 HydrophobicContact CB-CD2 4.5Å; A245-Y248 HydrophobicContact CB-CE1 4.08Å; A245-Y248 HydrophobicContact CB-CE2 4.11Å; A245-Y248 PolarHBondContact N-OH 3.07Å; Y248-I269 HydrophobicContact CD1-CG2 4.18Å; Y248-I269 HydrophobicContact CD2-CG2 3.63Å; Y248-I269 HydrophobicContact CE2-CG2 4.29Å; Y248-I269 HydrophobicContact CG-CG2 3.56Å; Y248-A272 WeakPolarHBondContact OH-CB 3.43Å; Y248-C273 VanDerWaalsContact CD2-SG 3.56Å; Y248-C273 VanDerWaalsContact CE2-SG 3.52Å; Y248-A278 PolarHBondContact N-O 3.19Å; Y248-V279 CarbonylContact O-C 3.53Å; Y248-V279 VanDerWaalsContact O-CA 3.27Å; Y248-V279 WeakPolarHBondContact O-CA 3.34Å; Y248-L280 PolarHBondContact O-N 3.2Å
249	I	98.8	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.5	175	-56.9	-179.7	0	0	0	108.3	I183 C184 L186 L193 L247 A251 L280 V282	I183-I249 HydrophobicContact CG2-CD1 3.57Å; I183-I249 HydrophobicContact CG2-CG1 3.84Å; C184-I249 PolarHBondContact O-N 3.06Å; L186-I249 PolarHBondContact N-O 3.33Å; L193-I249 HydrophobicContact CD2-CG2 3.85Å; L247-I249 HydrophobicContact CD2-CD1 4.2Å; L247-I249 HydrophobicContact CD2-CG1 4.01Å; L247-I249 HydrophobicContact CG-CG1 4.16Å; I249-A251 HydrophobicContact CG2-CB 4.17Å; I249-L280 WeakPolarHBondContact CA-O 3.31Å; I249-L280 HydrophobicContact CD1-CD2 4.39Å; I249-L280 HydrophobicContact CG1-CB 4.33Å; I249-L280 HydrophobicContact CG1-CD2 4.29Å; I249-V282 HydrophobicContact CG2-CG2 4.48Å
250	L	98.8	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	93.1	170.1	-72.6	170.1	0	0	0	107.4	L186 I253 L254 L265 L266 I269 V279 L280 L281 V282	L186-L250 HydrophobicContact CB-CD2 3.64Å; L186-L250 HydrophobicContact CD1-CD2 3.97Å; L186-L250 HydrophobicContact CD1-CG 4.42Å; L186-L250 HydrophobicContact CG-CD2 4.47Å; L250-I253 HydrophobicContact CB-CB 4.29Å; L250-I253 HydrophobicContact CB-CG1 4.47Å; L250-I253 HydrophobicContact CD2-CB 3.96Å; L250-I253 HydrophobicContact CD2-CG1 4.12Å; L250-I253 HydrophobicContact CD2-CG2 3.81Å; L250-L254 HydrophobicContact CD1-CD1 4.4Å; L250-L254 HydrophobicContact CD1-CD2 3.96Å; L250-L254 HydrophobicContact CD1-CG 4.15Å; L250-L265 HydrophobicContact CD1-CD2 4.46Å; L250-L265 HydrophobicContact CD2-CD2 3.9Å; L250-L266 HydrophobicContact CD1-CD2 3.81Å; L250-I269 HydrophobicContact CD1-CD1 3.52Å; L250-I269 HydrophobicContact CD2-CD1 4.19Å; L250-I269 HydrophobicContact CG-CD1 4.04Å; L250-V279 HydrophobicContact CD1-CG2 4.22Å; L250-L280 PolarHBondContact N-O 3.45Å; L250-L281 HydrophobicContact CB-CD2 3.88Å; L250-L281 HydrophobicContact CD1-CD2 3.71Å; L250-L281 HydrophobicContact CG-CD2 4.39Å; L250-L281 WeakPolarHBondContact O-CA 3.36Å; L250-V282 PolarHBondContact O-N 3.34Å
251	A	98.2	Very high	97.7	Very high	10 Å²	10	33.2 Å²	33.2	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.6	-178.6	0	0	0	0	0	110.6	W164 L193 I249 I253 V282	W164-A251 HydrophobicContact CH2-CB 4.13Å; W164-A251 HydrophobicContact CZ2-CB 3.78Å; L193-A251 HydrophobicContact CD2-CB 3.36Å; I249-A251 HydrophobicContact CG2-CB 4.17Å; A251-I253 VanDerWaalsContact C-N 3.33Å; A251-V282 WeakPolarHBondContact CA-O 3.44Å; A251-V282 HydrophobicContact CB-CB 3.8Å; A251-V282 HydrophobicContact CB-CG1 4.45Å; A251-V282 HydrophobicContact CB-CG2 4.34Å
252	R	97.6	Very high	97.8	Very high	31 Å²	31	28.9 Å²	28.9	12%	0.117	15%	0.146	C	C	.	.	S	Bend	trans	56.4	48.8	-176.1	-59.8	175	62.8	-169.2	-2.5	112	M160 W164 H255 V282 E283 Y338	M160-R252 VanDerWaalsContact CE-CZ 3.45Å; M160-R252 VanDerWaalsContact CE-NH1 3.26Å; M160-R252 VanDerWaalsContact SD-CZ 3.55Å; M160-R252 PolarHBondContact SD-NH1 3.15Å; W164-R252 HydrophobicContact CH2-CG 3.91Å; W164-R252 VanDerWaalsContact CZ2-CD 3.49Å; W164-R252 HydrophobicContact CZ2-CG 3.82Å; R252-H255 WeakPolarHBondContact CB-NE2 3.38Å; R252-H255 PolarHBondContact O-NE2 3.12Å; R252-V282 PolarHBondContact N-O 3.4Å; R252-E283 WeakPolarHBondContact CA-OE2 3.38Å; R252-Y338 VanDerWaalsContact CD-CE1 3.48Å; R252-Y338 HydrophobicContact CG-CD1 4.12Å; R252-Y338 HydrophobicContact CG-CE1 3.66Å; R252-Y338 PolarHBondContact NE-OH 3.43Å; R252-Y338 PolarHBondContact NH1-OH 3.18Å
253	I	97.9	Very high	97.9	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.062	16%	0.155	C	C	.	.			trans	-117.7	-50.2	180	-59.4	-62.8	0	0	0	109.5	L186 F237 L250 A251 H255 D256 W257 L265 E283	L186-I253 WeakPolarHBondContact O-CG1 3.43Å; F237-I253 HydrophobicContact CE1-CG2 4.24Å; F237-I253 HydrophobicContact CZ-CG2 4.05Å; L250-I253 HydrophobicContact CB-CB 4.29Å; L250-I253 HydrophobicContact CB-CG1 4.47Å; L250-I253 HydrophobicContact CD2-CB 3.96Å; L250-I253 HydrophobicContact CD2-CG1 4.12Å; L250-I253 HydrophobicContact CD2-CG2 3.81Å; A251-I253 VanDerWaalsContact C-N 3.33Å; I253-H255 PolarHBondContact O-N 3.4Å; I253-D256 WeakPolarHBondContact O-CB 3.47Å; I253-D256 PolarHBondContact O-N 3.2Å; I253-D256 VanDerWaalsContact O-N 3.15Å; I253-W257 PolarHBondContact O-NE1 3.43Å; I253-L265 HydrophobicContact CG2-CD2 4.04Å; I253-E283 PolarHBondContact N-OE1 2.84Å
254	L	98.4	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-69.5	-23.1	-174	-64.3	-169.3	0	0	0	112	L250 D256 W257 C262 L265 L266 L281 E283 R312 Y317	L250-L254 HydrophobicContact CD1-CD1 4.4Å; L250-L254 HydrophobicContact CD1-CD2 3.96Å; L250-L254 HydrophobicContact CD1-CG 4.15Å; L254-D256 PolarHBondContact O-N 3.24Å; L254-W257 PolarHBondContact O-N 3.2Å; L254-C262 HydrophobicContact CD2-CB 4.09Å; L254-C262 PolarHBondContact O-SG 3.4Å; L254-L265 HydrophobicContact CD2-CD2 4.19Å; L254-L266 HydrophobicContact CD1-CD1 4.08Å; L254-L266 HydrophobicContact CD1-CD2 4.3Å; L254-L266 HydrophobicContact CD1-CG 4.37Å; L254-L281 HydrophobicContact CD1-CD1 3.74Å; L254-L281 HydrophobicContact CD1-CD2 3.65Å; L254-L281 HydrophobicContact CD1-CG 4.28Å; L254-L281 HydrophobicContact CG-CD2 4.38Å; L254-E283 PolarHBondContact N-OE1 3.42Å; L254-R312 PolarHBondContact O-NH1 3.02Å; L254-Y317 HydrophobicContact CB-CE1 3.92Å; L254-Y317 HydrophobicContact CD1-CD1 4.26Å; L254-Y317 HydrophobicContact CD1-CE1 4.3Å
255	H	97.9	Very high	98.2	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-70.5	-14.1	176.2	77.2	167.5	0	0	0	114.6	R252 I253 W257 E283 M303 G309 R310 E311	R252-H255 WeakPolarHBondContact CB-NE2 3.38Å; R252-H255 PolarHBondContact O-NE2 3.12Å; I253-H255 PolarHBondContact O-N 3.4Å; H255-W257 VanDerWaalsContact C-N 3.33Å; H255-E283 IonicContact CG-OE2 3.87Å; H255-E283 IonicContact ND1-OE2 3.38Å; H255-M303 HydrophobicContact CB-CG 4.29Å; H255-M303 HydrophobicContact CB-SD 4.24Å; H255-G309 CarbonylContact O-C 3.51Å; H255-G309 VanDerWaalsContact O-C 3.31Å; H255-G309 WeakPolarHBondContact O-CA 3.19Å; H255-R310 WeakPolarHBondContact CA-O 3.43Å; H255-R310 PolarHBondContact O-N 3.37Å; H255-E311 IonicContact CE1-OE1 3.23Å; H255-E311 IonicContact CG-OE1 3.79Å; H255-E311 IonicContact ND1-OE1 2.89Å; H255-E311 PolarHBondContact ND1-OE1 3.43Å; H255-E311 IonicContact ND1-OE2 2.79Å
256	D	97.1	Very high	98.2	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.08	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-79.8	-19.5	177.6	-67.1	-33.9	0	0	0	112.6	L142 F143 I253 L254 T307 E308 G309	L142-D256 HydrophobicContact CD2-CB 4.14Å; F143-D256 WeakPolarHBondContact CZ-OD2 3.36Å; I253-D256 WeakPolarHBondContact O-CB 3.47Å; I253-D256 PolarHBondContact O-N 3.2Å; I253-D256 VanDerWaalsContact O-N 3.15Å; L254-D256 PolarHBondContact O-N 3.24Å; D256-T307 WeakPolarHBondContact OD1-CG2 3.45Å; D256-E308 CarbonylContact O-C 3.54Å; D256-E308 PolarHBondContact O-N 2.84Å; D256-G309 PolarHBondContact O-N 2.94Å; D256-G309 VanDerWaalsContact O-N 3.09Å
257	W	97.8	Very high	98.2	Very high	20 Å²	20	28.6 Å²	28.6	8%	0.076	14%	0.14	C	C	.	.	S	Bend	trans	-119.1	156.8	-163	-54.5	110.7	0	0	0	113.6	L142 F143 F237 F238 I253 L254 H255 R261 G309 R312	L142-W257 HydrophobicContact CD2-CZ3 4.4Å; F143-W257 AromaticContact CD2-CH2 3.78Å; F143-W257 HydrophobicContact CD2-CH2 3.78Å; F143-W257 AromaticContact CD2-CZ2 3.85Å; F143-W257 HydrophobicContact CD2-CZ2 3.85Å; F143-W257 AromaticContact CE2-CH2 3.68Å; F143-W257 HydrophobicContact CE2-CH2 3.68Å; F143-W257 AromaticContact CE2-CZ2 3.33Å; F143-W257 HydrophobicContact CE2-CZ2 3.33Å; F143-W257 HydrophobicContact CZ-CZ2 4.41Å; F237-W257 HydrophobicContact CE2-CZ2 4.38Å; F237-W257 HydrophobicContact CZ-CZ2 4.2Å; F238-W257 HydrophobicContact CE2-CD2 4.2Å; F238-W257 AromaticContact CE2-CE2 3.85Å; F238-W257 HydrophobicContact CE2-CE3 4.36Å; F238-W257 AromaticContact CE2-CH2 3.84Å; F238-W257 HydrophobicContact CE2-CH2 3.84Å; F238-W257 AromaticContact CE2-CZ2 3.64Å; F238-W257 HydrophobicContact CE2-CZ2 3.64Å; F238-W257 HydrophobicContact CE2-CZ3 4.21Å; F238-W257 HydrophobicContact CZ-CD2 4.05Å; F238-W257 AromaticContact CZ-CE2 3.99Å; F238-W257 HydrophobicContact CZ-CE3 4.42Å; F238-W257 HydrophobicContact CZ-CG 4.41Å; F238-W257 HydrophobicContact CZ-CZ2 4.26Å; I253-W257 PolarHBondContact O-NE1 3.43Å; L254-W257 PolarHBondContact O-N 3.2Å; H255-W257 VanDerWaalsContact C-N 3.33Å; W257-R261 HydrophobicContact CB-CB 3.82Å; W257-R261 HydrophobicContact CG-CB 4.39Å; W257-G309 VanDerWaalsContact O-CA 3.29Å; W257-G309 WeakPolarHBondContact O-CA 3.27Å; W257-R312 PolarHBondContact O-NH2 3Å
258	T	97.3	Very high	98.2	Very high	45 Å²	45	32.1 Å²	32.1	28%	0.276	15%	0.154	S	C	.	.			trans	-65.8	160.4	168.6	79	0	0	0	0	111.3	E260 R261 C262 E308	T258-E260 VanDerWaalsContact CB-OE2 3.27Å; T258-E260 WeakPolarHBondContact CB-OE2 3.48Å; T258-E260 PolarHBondContact O-N 3.02Å; T258-E260 PolarHBondContact OG1-OE2 3.35Å; T258-R261 PolarHBondContact O-N 3.42Å; T258-R261 VanDerWaalsContact O-N 3.13Å; T258-R261 PolarHBondContact OG1-N 2.9Å; T258-C262 PolarHBondContact O-N 3.36Å; T258-C262 PolarHBondContact O-SG 3.09Å; T258-E308 HydrophobicContact CG2-CB 4.22Å
259	D	98.1	Very high	98.2	Very high	63 Å²	63	32.1 Å²	32.1	34%	0.337	15%	0.154	S	C	.	.	H	α-helix	trans	-58.6	-36.9	-179.8	-69.2	-7.2	0	0	0	112	C262 I263 R312 L320	D259-C262 WeakPolarHBondContact O-CB 3.4Å; D259-C262 PolarHBondContact O-N 2.78Å; D259-I263 VanDerWaalsContact O-CG1 3.29Å; D259-I263 WeakPolarHBondContact O-CG1 3.3Å; D259-I263 PolarHBondContact O-N 2.9Å; D259-R312 IonicContact OD1-CZ 3.65Å; D259-R312 VanDerWaalsContact OD1-CZ 3.23Å; D259-R312 IonicContact OD1-NE 3.73Å; D259-R312 PolarHBondContact OD1-NE 2.76Å; D259-R312 IonicContact OD1-NH2 3.49Å; D259-R312 PolarHBondContact OD1-NH2 2.88Å; D259-L320 HydrophobicContact CB-CD2 4Å
260	E	98.1	Very high	98.2	Very high	137 Å²	137	35.1 Å²	35.1	64%	0.64	17%	0.166	S	C	*	.	H	α-helix	trans	-62.6	-44.5	177.1	-59.6	73.3	-158.3	0	0	111.6	T258 I263 E264	T258-E260 VanDerWaalsContact CB-OE2 3.27Å; T258-E260 WeakPolarHBondContact CB-OE2 3.48Å; T258-E260 PolarHBondContact O-N 3.02Å; T258-E260 PolarHBondContact OG1-OE2 3.35Å; E260-I263 PolarHBondContact O-N 2.89Å; E260-E264 WeakPolarHBondContact O-CB 3.41Å; E260-E264 PolarHBondContact O-N 3.08Å
261	R	97.8	Very high	98.1	Very high	91 Å²	91	43.1 Å²	43.1	34%	0.343	20%	0.2	S	C	.	.	H	α-helix	trans	-68.7	-38.4	176.8	-77.3	-60.6	-139.4	166.8	9.7	111.7	F238 W257 T258 E264 L265	F238-R261 HydrophobicContact CE1-CB 4.42Å; F238-R261 HydrophobicContact CZ-CB 4.25Å; W257-R261 HydrophobicContact CB-CB 3.82Å; W257-R261 HydrophobicContact CG-CB 4.39Å; T258-R261 PolarHBondContact O-N 3.42Å; T258-R261 VanDerWaalsContact O-N 3.13Å; T258-R261 PolarHBondContact OG1-N 2.9Å; R261-E264 WeakPolarHBondContact CD-OE2 3.27Å; R261-E264 IonicContact CZ-OE2 2.71Å; R261-E264 IonicContact NE-OE2 2.82Å; R261-E264 IonicContact NH1-OE1 2.63Å; R261-E264 PolarHBondContact NH1-OE1 2.98Å; R261-E264 IonicContact NH1-OE2 3.5Å; R261-E264 PolarHBondContact NH1-OE2 3.06Å; R261-E264 WeakPolarHBondContact O-CB 3.24Å; R261-E264 PolarHBondContact O-N 3.38Å; R261-L265 PolarHBondContact O-N 3.46Å
262	C	98.7	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-48.8	172.3	-64.6	0	0	0	0	111.2	L254 T258 D259 E264 L265 L266 L320	L254-C262 HydrophobicContact CD2-CB 4.09Å; L254-C262 PolarHBondContact O-SG 3.4Å; T258-C262 PolarHBondContact O-N 3.36Å; T258-C262 PolarHBondContact O-SG 3.09Å; D259-C262 WeakPolarHBondContact O-CB 3.4Å; D259-C262 PolarHBondContact O-N 2.78Å; C262-E264 VanDerWaalsContact C-N 3.34Å; C262-E264 PolarHBondContact O-N 2.94Å; C262-L265 PolarHBondContact O-N 2.8Å; C262-L266 WeakPolarHBondContact O-CB 3.35Å; C262-L266 VanDerWaalsContact O-CG 3.24Å; C262-L266 WeakPolarHBondContact O-CG 3.49Å; C262-L266 PolarHBondContact O-N 2.9Å; C262-L320 HydrophobicContact CB-CD1 4.07Å; C262-L320 HydrophobicContact CB-CD2 4.43Å
263	I	98.6	Very high	97.9	Very high	56 Å²	56	42.9 Å²	42.9	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-40.5	179.1	-68.8	165.8	0	0	0	110.9	D259 E260 L266 C267 L320 A323 S324	D259-I263 VanDerWaalsContact O-CG1 3.29Å; D259-I263 WeakPolarHBondContact O-CG1 3.3Å; D259-I263 PolarHBondContact O-N 2.9Å; E260-I263 PolarHBondContact O-N 2.89Å; I263-L266 PolarHBondContact O-N 2.81Å; I263-C267 VanDerWaalsContact O-CB 3.28Å; I263-C267 WeakPolarHBondContact O-CB 3.49Å; I263-C267 PolarHBondContact O-N 3.28Å; I263-C267 PolarHBondContact O-SG 3.1Å; I263-L320 HydrophobicContact CD1-CD2 4.07Å; I263-L320 HydrophobicContact CG1-CD2 3.84Å; I263-A323 HydrophobicContact CD1-CB 4.31Å; I263-A323 HydrophobicContact CG1-CB 4.44Å; I263-S324 PolarHBondContact O-OG 2.99Å
264	E	98.4	Very high	97.8	Very high	73 Å²	73	47.8 Å²	47.8	34%	0.341	23%	0.225	S	C	.	.	H	α-helix	trans	-55.6	-53	175	-176.4	-170.4	165.8	0	0	111	F238 E260 R261 C262 C267 R268	F238-E264 HydrophobicContact CD1-CG 4.34Å; E260-E264 WeakPolarHBondContact O-CB 3.41Å; E260-E264 PolarHBondContact O-N 3.08Å; R261-E264 WeakPolarHBondContact CD-OE2 3.27Å; R261-E264 IonicContact CZ-OE2 2.71Å; R261-E264 IonicContact NE-OE2 2.82Å; R261-E264 IonicContact NH1-OE1 2.63Å; R261-E264 PolarHBondContact NH1-OE1 2.98Å; R261-E264 IonicContact NH1-OE2 3.5Å; R261-E264 PolarHBondContact NH1-OE2 3.06Å; R261-E264 WeakPolarHBondContact O-CB 3.24Å; R261-E264 PolarHBondContact O-N 3.38Å; C262-E264 VanDerWaalsContact C-N 3.34Å; C262-E264 PolarHBondContact O-N 2.94Å; E264-C267 PolarHBondContact O-N 3.36Å; E264-R268 WeakPolarHBondContact O-CG 3.35Å; E264-R268 PolarHBondContact O-N 3.03Å; E264-R268 VanDerWaalsContact O-N 3.15Å
265	L	98.6	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-49.5	179.4	177	55.4	0	0	0	111.6	F237 F238 L250 I253 L254 R261 C262 C267 R268 I269	F237-L265 HydrophobicContact CB-CD1 3.92Å; F237-L265 HydrophobicContact CD2-CD1 3.63Å; F237-L265 HydrophobicContact CD2-CD2 4.03Å; F237-L265 HydrophobicContact CD2-CG 4.41Å; F237-L265 HydrophobicContact CE2-CD1 4.33Å; F237-L265 HydrophobicContact CE2-CD2 3.89Å; F237-L265 HydrophobicContact CG-CD1 3.89Å; F237-L265 HydrophobicContact CZ-CD2 4.32Å; F238-L265 HydrophobicContact CD1-CB 4.4Å; F238-L265 HydrophobicContact CE1-CB 3.83Å; L250-L265 HydrophobicContact CD1-CD2 4.46Å; L250-L265 HydrophobicContact CD2-CD2 3.9Å; I253-L265 HydrophobicContact CG2-CD2 4.04Å; L254-L265 HydrophobicContact CD2-CD2 4.19Å; R261-L265 PolarHBondContact O-N 3.46Å; C262-L265 PolarHBondContact O-N 2.8Å; L265-C267 VanDerWaalsContact C-N 3.29Å; L265-C267 PolarHBondContact O-N 3.03Å; L265-R268 WeakPolarHBondContact O-CA 3.45Å; L265-R268 WeakPolarHBondContact O-CB 3.46Å; L265-R268 PolarHBondContact O-N 3.03Å; L265-I269 HydrophobicContact CD1-CD1 4.12Å; L265-I269 HydrophobicContact CD1-CG1 4.29Å; L265-I269 HydrophobicContact CG-CD1 3.99Å; L265-I269 WeakPolarHBondContact O-CG1 3.34Å; L265-I269 PolarHBondContact O-N 3.1Å
266	L	98.8	Very high	97.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-36.9	179.7	-72	173.8	0	0	0	112	L250 L254 C262 I263 R268 I269 Y270 V279 L281 L320 L321 S324 F326	L250-L266 HydrophobicContact CD1-CD2 3.81Å; L254-L266 HydrophobicContact CD1-CD1 4.08Å; L254-L266 HydrophobicContact CD1-CD2 4.3Å; L254-L266 HydrophobicContact CD1-CG 4.37Å; C262-L266 WeakPolarHBondContact O-CB 3.35Å; C262-L266 VanDerWaalsContact O-CG 3.24Å; C262-L266 WeakPolarHBondContact O-CG 3.49Å; C262-L266 PolarHBondContact O-N 2.9Å; I263-L266 PolarHBondContact O-N 2.81Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 2.97Å; L266-I269 HydrophobicContact CD2-CD1 4.42Å; L266-I269 PolarHBondContact O-N 3.27Å; L266-Y270 WeakPolarHBondContact O-CB 3.48Å; L266-Y270 PolarHBondContact O-N 3.48Å; L266-V279 HydrophobicContact CD2-CG2 4.43Å; L266-L281 HydrophobicContact CD2-CD2 4.28Å; L266-L320 HydrophobicContact CD1-CB 3.95Å; L266-L321 HydrophobicContact CD1-CD2 4.2Å; L266-L321 HydrophobicContact CD2-CD2 3.82Å; L266-S324 WeakPolarHBondContact CB-OG 3.38Å; L266-F326 HydrophobicContact CB-CE2 4.43Å; L266-F326 HydrophobicContact CD2-CE2 4.4Å
267	C	98.5	Very high	97.5	Very high	41 Å²	41	55.6 Å²	55.6	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-37.4	172.9	-74.3	0	0	0	0	112.4	I263 E264 L265 K271	I263-C267 VanDerWaalsContact O-CB 3.28Å; I263-C267 WeakPolarHBondContact O-CB 3.49Å; I263-C267 PolarHBondContact O-N 3.28Å; I263-C267 PolarHBondContact O-SG 3.1Å; E264-C267 PolarHBondContact O-N 3.36Å; L265-C267 VanDerWaalsContact C-N 3.29Å; L265-C267 PolarHBondContact O-N 3.03Å; C267-K271 VanDerWaalsContact O-CG 3.31Å; C267-K271 WeakPolarHBondContact O-CG 3.28Å; C267-K271 PolarHBondContact O-N 3.4Å; C267-K271 VanDerWaalsContact O-N 3.09Å
268	R	98.3	Very high	97.6	Very high	74 Å²	74	54.6 Å²	54.6	28%	0.279	28%	0.284	S	S	.	.	H	α-helix	trans	-66.8	-44.4	175.6	-68.4	178.6	66.9	89.4	7.1	111.1	F237 F238 K239 D240 L242 E264 L265 L266 K271 A272	F237-R268 WeakPolarHBondContact O-CD 3.44Å; F237-R268 PolarHBondContact O-NE 3.41Å; F238-R268 VanDerWaalsContact O-CZ 3.23Å; F238-R268 PolarHBondContact O-NE 2.84Å; F238-R268 PolarHBondContact O-NH1 3.41Å; K239-R268 PolarHBondContact O-NH2 2.81Å; D240-R268 PolarHBondContact O-NH2 2.81Å; L242-R268 HydrophobicContact CD1-CB 4.48Å; E264-R268 WeakPolarHBondContact O-CG 3.35Å; E264-R268 PolarHBondContact O-N 3.03Å; E264-R268 VanDerWaalsContact O-N 3.15Å; L265-R268 WeakPolarHBondContact O-CA 3.45Å; L265-R268 WeakPolarHBondContact O-CB 3.46Å; L265-R268 PolarHBondContact O-N 3.03Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 2.97Å; R268-K271 PolarHBondContact O-N 3.26Å; R268-A272 PolarHBondContact O-N 2.89Å; R268-A272 VanDerWaalsContact O-N 3.11Å
269	I	98.4	Very high	97.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-49	175.6	-63.4	167.6	0	0	0	109.9	L186 L242 Y248 L250 L265 L266 K271 A272 C273 V279 F326	L186-I269 HydrophobicContact CD1-CD1 3.4Å; L186-I269 HydrophobicContact CD1-CG1 3.61Å; L242-I269 HydrophobicContact CD1-CB 4.42Å; L242-I269 HydrophobicContact CD1-CG1 3.69Å; Y248-I269 HydrophobicContact CD1-CG2 4.18Å; Y248-I269 HydrophobicContact CD2-CG2 3.63Å; Y248-I269 HydrophobicContact CE2-CG2 4.29Å; Y248-I269 HydrophobicContact CG-CG2 3.56Å; L250-I269 HydrophobicContact CD1-CD1 3.52Å; L250-I269 HydrophobicContact CD2-CD1 4.19Å; L250-I269 HydrophobicContact CG-CD1 4.04Å; L265-I269 HydrophobicContact CD1-CD1 4.12Å; L265-I269 HydrophobicContact CD1-CG1 4.29Å; L265-I269 HydrophobicContact CG-CD1 3.99Å; L265-I269 WeakPolarHBondContact O-CG1 3.34Å; L265-I269 PolarHBondContact O-N 3.1Å; L266-I269 HydrophobicContact CD2-CD1 4.42Å; L266-I269 PolarHBondContact O-N 3.27Å; I269-K271 PolarHBondContact O-N 3.24Å; I269-A272 WeakPolarHBondContact O-CA 3.37Å; I269-A272 PolarHBondContact O-N 3.17Å; I269-C273 PolarHBondContact O-N 3.06Å; I269-C273 PolarHBondContact O-SG 3.06Å; I269-C273 VanDerWaalsContact O-SG 3.32Å; I269-V279 HydrophobicContact CG2-CG2 4.42Å; I269-F326 HydrophobicContact CB-CZ 4.47Å; I269-F326 HydrophobicContact CG2-CZ 4.04Å
270	Y	98.3	Very high	97.7	Very high	65 Å²	65	49.5 Å²	49.5	26%	0.255	26%	0.255	S	S	.	.	H	α-helix	trans	-55.8	-39.5	177.6	-173.4	-93	0	0	0	111.9	L266 C273 S324 G325 F326 K345	L266-Y270 WeakPolarHBondContact O-CB 3.48Å; L266-Y270 PolarHBondContact O-N 3.48Å; Y270-C273 PolarHBondContact O-N 2.77Å; Y270-S324 WeakPolarHBondContact CB-O 3.32Å; Y270-S324 VanDerWaalsContact CG-O 3.32Å; Y270-G325 WeakPolarHBondContact CE2-O 3.29Å; Y270-F326 AromaticContact CD2-CD1 3.94Å; Y270-F326 HydrophobicContact CD2-CD1 3.94Å; Y270-F326 HydrophobicContact CD2-CD2 4.11Å; Y270-F326 AromaticContact CD2-CE1 3.91Å; Y270-F326 HydrophobicContact CD2-CE1 3.91Å; Y270-F326 HydrophobicContact CD2-CE2 4.09Å; Y270-F326 HydrophobicContact CD2-CG 4.04Å; Y270-F326 AromaticContact CD2-CZ 3.98Å; Y270-F326 HydrophobicContact CD2-CZ 3.98Å; Y270-F326 HydrophobicContact CE2-CD1 4.5Å; Y270-F326 HydrophobicContact CG-CE2 4.48Å; Y270-F326 HydrophobicContact CG-CZ 4.44Å; Y270-K345 HydrophobicContact CD2-CB 4.43Å; Y270-K345 HydrophobicContact CD2-CD 4.2Å; Y270-K345 HydrophobicContact CD2-CG 4.23Å; Y270-K345 HydrophobicContact CE1-CD 4.39Å; Y270-K345 HydrophobicContact CE2-CB 4.02Å; Y270-K345 HydrophobicContact CE2-CD 3.92Å; Y270-K345 HydrophobicContact CE2-CG 3.59Å; Y270-K345 WeakPolarHBondContact O-CD 3.11Å; Y270-K345 WeakPolarHBondContact O-CE 3.37Å; Y270-K345 PolarHBondContact O-NZ 3.29Å
271	K	97	Very high	97.7	Very high	168 Å²	168	43 Å²	43	73%	0.73	22%	0.224	S	C	*	.	H	α-helix	trans	-66.3	-35.6	175.4	-73.7	171.1	-175.8	176.2	0	113	C267 R268 I269	C267-K271 VanDerWaalsContact O-CG 3.31Å; C267-K271 WeakPolarHBondContact O-CG 3.28Å; C267-K271 PolarHBondContact O-N 3.4Å; C267-K271 VanDerWaalsContact O-N 3.09Å; R268-K271 PolarHBondContact O-N 3.26Å; I269-K271 PolarHBondContact O-N 3.24Å
272	A	96.5	Very high	97.7	Very high	30 Å²	30	38.7 Å²	38.7	25%	0.248	21%	0.208	C	C	.	.	H	α-helix	trans	-75.2	-30	178.2	0	0	0	0	0	113.1	L242 Y248 R268 I269	L242-A272 HydrophobicContact CB-CB 4.22Å; Y248-A272 WeakPolarHBondContact OH-CB 3.43Å; R268-A272 PolarHBondContact O-N 2.89Å; R268-A272 VanDerWaalsContact O-N 3.11Å; I269-A272 WeakPolarHBondContact O-CA 3.37Å; I269-A272 PolarHBondContact O-N 3.17Å
273	C	96.2	Very high	97.7	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.041	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-58.4	140.9	176.4	-74.9	0	0	0	0	112.8	Y248 I269 Y270 K345	Y248-C273 VanDerWaalsContact CD2-SG 3.56Å; Y248-C273 VanDerWaalsContact CE2-SG 3.52Å; I269-C273 PolarHBondContact O-N 3.06Å; I269-C273 PolarHBondContact O-SG 3.06Å; I269-C273 VanDerWaalsContact O-SG 3.32Å; Y270-C273 PolarHBondContact O-N 2.77Å; C273-K345 HydrophobicContact CB-CB 4.08Å; C273-K345 HydrophobicContact CB-CD 3.32Å; C273-K345 HydrophobicContact CB-CG 4.32Å; C273-K345 WeakPolarHBondContact O-CD 3.3Å; C273-K345 PolarHBondContact O-NZ 3.11Å
274	K	95.1	Very high	97.7	Very high	114 Å²	114	36 Å²	36	50%	0.496	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-89.3	165	166.4	-66.9	172.4	-179.3	166.1	0	109.7	V244 G276 S277	V244-K274 HydrophobicContact CG1-CD 4.22Å; V244-K274 VanDerWaalsContact CG1-NZ 3.35Å; K274-G276 PolarHBondContact O-N 3.31Å; K274-S277 PolarHBondContact N-OG 2.86Å; K274-S277 VanDerWaalsContact O-CB 3.25Å; K274-S277 WeakPolarHBondContact O-CB 3.33Å; K274-S277 PolarHBondContact O-N 3.37Å; K274-S277 PolarHBondContact O-OG 3.48Å
275	P	94.8	Very high	97.7	Very high	125 Å²	125	32.9 Å²	32.9	81%	0.812	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.9	168.5	-25.2	35.2	0	0	0	110.9	S277	P275-S277 VanDerWaalsContact C-N 3.35Å
276	G	95.1	Very high	97.6	Very high	56 Å²	56	34.1 Å²	34.1	58%	0.577	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	-5.3	-175.4	0	0	0	0	0	115.1	K274	K274-G276 PolarHBondContact O-N 3.31Å
277	S	98.1	Very high	97.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.021	20%	0.204	C	C	.	.			trans	-70.9	159.9	169.3	-63.1	0	0	0	0	111.6	A245 D246 K274 P275 K345	A245-S277 PolarHBondContact O-OG 3.45Å; A245-S277 VanDerWaalsContact O-OG 3.13Å; D246-S277 CarbonylContact O-C 3.52Å; D246-S277 WeakPolarHBondContact O-CA 3.31Å; D246-S277 WeakPolarHBondContact O-CB 3.18Å; K274-S277 PolarHBondContact N-OG 2.86Å; K274-S277 VanDerWaalsContact O-CB 3.25Å; K274-S277 WeakPolarHBondContact O-CB 3.33Å; K274-S277 PolarHBondContact O-N 3.37Å; K274-S277 PolarHBondContact O-OG 3.48Å; P275-S277 VanDerWaalsContact C-N 3.35Å; S277-K345 PolarHBondContact O-N 3.32Å
278	A	98.6	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	167.5	176.3	0	0	0	0	0	112.8	F180 D246 L247 Y248 L342 G343	F180-A278 HydrophobicContact CE1-CB 3.73Å; F180-A278 HydrophobicContact CE2-CB 4.4Å; F180-A278 HydrophobicContact CZ-CB 3.57Å; D246-A278 PolarHBondContact O-N 3.47Å; L247-A278 WeakPolarHBondContact CA-O 3.47Å; L247-A278 HydrophobicContact CD1-CB 3.81Å; Y248-A278 PolarHBondContact N-O 3.19Å; A278-L342 HydrophobicContact CB-CD1 3.89Å; A278-G343 CarbonylContact C-O 3.53Å; A278-G343 VanDerWaalsContact CA-O 3.27Å; A278-G343 WeakPolarHBondContact CA-O 3.38Å; A278-G343 WeakPolarHBondContact CB-O 3.46Å
279	V	98.8	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.7	167.6	64.2	0	0	0	0	109.5	Y248 L250 L266 I269 L281 L321 F326 L342 G343	Y248-V279 CarbonylContact O-C 3.53Å; Y248-V279 VanDerWaalsContact O-CA 3.27Å; Y248-V279 WeakPolarHBondContact O-CA 3.34Å; L250-V279 HydrophobicContact CD1-CG2 4.22Å; L266-V279 HydrophobicContact CD2-CG2 4.43Å; I269-V279 HydrophobicContact CG2-CG2 4.42Å; V279-L281 HydrophobicContact CG2-CD2 3.99Å; V279-L321 HydrophobicContact CG1-CD2 3.37Å; V279-F326 HydrophobicContact CB-CE1 3.92Å; V279-F326 HydrophobicContact CB-CZ 3.93Å; V279-F326 HydrophobicContact CG1-CD1 3.66Å; V279-F326 HydrophobicContact CG1-CD2 4.02Å; V279-F326 HydrophobicContact CG1-CE1 3.46Å; V279-F326 VanDerWaalsContact CG1-CE1 3.46Å; V279-F326 HydrophobicContact CG1-CE2 3.84Å; V279-F326 HydrophobicContact CG1-CG 3.94Å; V279-F326 HydrophobicContact CG1-CZ 3.56Å; V279-L342 WeakPolarHBondContact O-CA 3.23Å; V279-G343 PolarHBondContact N-O 2.85Å; V279-G343 PolarHBondContact O-N 3.03Å
280	L	98.8	Very high	96.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.4	175.5	179.6	71.1	0	0	0	109	F175 L177 L247 Y248 I249 L250 V282 A340 V341 L342	F175-L280 HydrophobicContact CD2-CD1 3.99Å; F175-L280 HydrophobicContact CE2-CD1 4.31Å; L177-L280 HydrophobicContact CD1-CD2 3.93Å; L247-L280 HydrophobicContact CD1-CB 4.02Å; Y248-L280 PolarHBondContact O-N 3.2Å; I249-L280 WeakPolarHBondContact CA-O 3.31Å; I249-L280 HydrophobicContact CD1-CD2 4.39Å; I249-L280 HydrophobicContact CG1-CB 4.33Å; I249-L280 HydrophobicContact CG1-CD2 4.29Å; L250-L280 PolarHBondContact N-O 3.45Å; L280-V282 HydrophobicContact CD2-CG2 4.2Å; L280-V282 HydrophobicContact CG-CG2 4.13Å; L280-A340 HydrophobicContact CD1-CB 4.01Å; L280-V341 CarbonylContact C-O 3.31Å; L280-V341 WeakPolarHBondContact CA-O 3.5Å; L280-L342 HydrophobicContact CB-CD1 4.19Å; L280-L342 HydrophobicContact CD1-CB 4.32Å; L280-L342 HydrophobicContact CD1-CD1 4.21Å
281	L	98.8	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.6	170.3	-44.4	-180	0	0	0	108.6	L250 L254 L266 V279 Y317 L321 A340 V341	L250-L281 HydrophobicContact CB-CD2 3.88Å; L250-L281 HydrophobicContact CD1-CD2 3.71Å; L250-L281 HydrophobicContact CG-CD2 4.39Å; L250-L281 WeakPolarHBondContact O-CA 3.36Å; L254-L281 HydrophobicContact CD1-CD1 3.74Å; L254-L281 HydrophobicContact CD1-CD2 3.65Å; L254-L281 HydrophobicContact CD1-CG 4.28Å; L254-L281 HydrophobicContact CG-CD2 4.38Å; L266-L281 HydrophobicContact CD2-CD2 4.28Å; V279-L281 HydrophobicContact CG2-CD2 3.99Å; L281-Y317 HydrophobicContact CD1-CD1 3.96Å; L281-Y317 HydrophobicContact CD1-CG 4.28Å; L281-L321 HydrophobicContact CD1-CD1 3.75Å; L281-L321 HydrophobicContact CD1-CD2 4.12Å; L281-L321 HydrophobicContact CD1-CG 3.89Å; L281-L321 HydrophobicContact CD2-CD2 4.47Å; L281-L321 HydrophobicContact CG-CD1 4.31Å; L281-L321 HydrophobicContact CG-CD2 4.44Å; L281-A340 CarbonylContact O-C 3.6Å; L281-A340 WeakPolarHBondContact O-CA 3.49Å; L281-V341 HydrophobicContact CB-CB 4.1Å; L281-V341 HydrophobicContact CD1-CB 4.3Å; L281-V341 HydrophobicContact CG-CB 4.4Å; L281-V341 PolarHBondContact N-O 3.15Å; L281-V341 PolarHBondContact O-N 2.88Å
282	V	98.5	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	104.2	174	-178.9	0	0	0	0	108.7	W164 V171 I249 L250 A251 R252 L280 D339	W164-V282 HydrophobicContact CH2-CG1 3.71Å; W164-V282 HydrophobicContact CZ3-CG1 3.88Å; V171-V282 HydrophobicContact CB-CG1 3.73Å; V171-V282 HydrophobicContact CB-CG2 4.25Å; V171-V282 HydrophobicContact CG1-CG1 3.66Å; V171-V282 HydrophobicContact CG2-CG1 3.86Å; V171-V282 HydrophobicContact CG2-CG2 4.45Å; I249-V282 HydrophobicContact CG2-CG2 4.48Å; L250-V282 PolarHBondContact O-N 3.34Å; A251-V282 WeakPolarHBondContact CA-O 3.44Å; A251-V282 HydrophobicContact CB-CB 3.8Å; A251-V282 HydrophobicContact CB-CG1 4.45Å; A251-V282 HydrophobicContact CB-CG2 4.34Å; R252-V282 PolarHBondContact N-O 3.4Å; L280-V282 HydrophobicContact CD2-CG2 4.2Å; L280-V282 HydrophobicContact CG-CG2 4.13Å; V282-D339 WeakPolarHBondContact CA-O 3.35Å
283	E	98.1	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.6	-169	-60.5	-67.2	-177.2	0	0	110.5	R252 I253 L254 H255 L285 Y317 D339	R252-E283 WeakPolarHBondContact CA-OE2 3.38Å; I253-E283 PolarHBondContact N-OE1 2.84Å; L254-E283 PolarHBondContact N-OE1 3.42Å; H255-E283 IonicContact CG-OE2 3.87Å; H255-E283 IonicContact ND1-OE2 3.38Å; E283-L285 PolarHBondContact O-N 3.36Å; E283-Y317 HydrophobicContact CB-CE2 3.69Å; E283-Y317 HydrophobicContact CG-CE1 4.03Å; E283-Y317 HydrophobicContact CG-CE2 4.04Å; E283-Y317 WeakPolarHBondContact CG-OH 3.47Å; E283-D339 PolarHBondContact N-O 3.14Å; E283-D339 PolarHBondContact O-N 3.18Å
284	A	97.5	Very high	96.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	26%	0.258	C	S	.	.			trans	-84.3	107.6	174.6	0	0	0	0	0	109.5	A296 Y299 I337 Y338	A284-A296 HydrophobicContact CB-CB 4.26Å; A284-Y299 HydrophobicContact CB-CD2 4.06Å; A284-I337 WeakPolarHBondContact CB-O 3.35Å; A284-Y338 HydrophobicContact CB-CD1 4.27Å; A284-Y338 HydrophobicContact CB-CE1 4.48Å
285	L	98.1	Very high	96.3	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-81.3	137.9	-173.8	-64.1	179.7	0	0	0	112.2	E283 P293 Y317 H331 L333 D339 V341	E283-L285 PolarHBondContact O-N 3.36Å; L285-P293 WeakPolarHBondContact O-CD 3.5Å; L285-Y317 HydrophobicContact CD2-CD2 3.35Å; L285-Y317 HydrophobicContact CD2-CE2 3.61Å; L285-H331 HydrophobicContact CD1-CB 4.17Å; L285-L333 HydrophobicContact CB-CD2 4.34Å; L285-L333 HydrophobicContact CD1-CD2 4.05Å; L285-D339 HydrophobicContact CB-CB 4.3Å; L285-D339 WeakPolarHBondContact CB-OD2 3.47Å; L285-D339 HydrophobicContact CD1-CB 3.59Å; L285-D339 HydrophobicContact CG-CB 3.73Å; L285-D339 PolarHBondContact N-OD2 3.47Å; L285-V341 HydrophobicContact CD1-CG2 4.16Å; L285-V341 HydrophobicContact CD2-CG2 4.16Å
286	L	97.8	Very high	96.4	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.141	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-81.2	146.6	164.4	-67.8	166.5	0	0	0	110.1	G292 A296 Q297 E311 R312 T313	L286-G292 CarbonylContact C-O 3.5Å; L286-G292 WeakPolarHBondContact CA-O 3.31Å; L286-A296 HydrophobicContact CD2-CB 3.82Å; L286-A296 HydrophobicContact CG-CB 4.37Å; L286-Q297 HydrophobicContact CD2-CG 3.76Å; L286-E311 HydrophobicContact CD1-CB 4.31Å; L286-E311 HydrophobicContact CG-CB 4.37Å; L286-R312 PolarHBondContact N-O 2.95Å; L286-R312 VanDerWaalsContact N-O 3.13Å; L286-T313 HydrophobicContact CB-CG2 3.91Å; L286-T313 WeakPolarHBondContact O-CA 3.49Å
287	N	96.6	Very high	96.5	Very high	69 Å²	69	35.4 Å²	35.4	37%	0.369	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-54.2	146.2	162.8	-67.7	-15.1	0	0	0	109.2	D289 G290 S291 G292 T313	N287-D289 VanDerWaalsContact CB-OD1 3.32Å; N287-D289 WeakPolarHBondContact CB-OD1 3.14Å; N287-D289 PolarHBondContact O-N 2.8Å; N287-D289 VanDerWaalsContact O-N 3.13Å; N287-G290 WeakPolarHBondContact O-CA 3.19Å; N287-G290 PolarHBondContact O-N 2.96Å; N287-S291 PolarHBondContact ND2-OG 3.23Å; N287-G292 WeakPolarHBondContact CB-O 3.38Å; N287-G292 PolarHBondContact N-O 3.02Å; N287-T313 WeakPolarHBondContact O-CG2 3.28Å
288	E	96.6	Very high	96.5	Very high	100 Å²	100	38.7 Å²	38.7	47%	0.467	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.6	-176.1	-64.1	-59.6	161.7	0	0	114	G290 T313 G314 A315	E288-G290 VanDerWaalsContact C-N 3.33Å; E288-T313 WeakPolarHBondContact OE2-CB 3.36Å; E288-T313 PolarHBondContact OE2-OG1 3.46Å; E288-G314 WeakPolarHBondContact OE1-CA 3.14Å; E288-G314 PolarHBondContact OE1-N 2.87Å; E288-A315 PolarHBondContact OE1-N 2.82Å; E288-A315 WeakPolarHBondContact OE2-CB 3.38Å
289	D	94.7	Very high	96.4	Very high	123 Å²	123	41.9 Å²	41.9	66%	0.658	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.8	174.4	69.2	-9.2	0	0	0	113.6	N287 S291	N287-D289 VanDerWaalsContact CB-OD1 3.32Å; N287-D289 WeakPolarHBondContact CB-OD1 3.14Å; N287-D289 PolarHBondContact O-N 2.8Å; N287-D289 VanDerWaalsContact O-N 3.13Å; D289-S291 VanDerWaalsContact CG-OG 3.26Å; D289-S291 PolarHBondContact O-N 3.16Å; D289-S291 WeakPolarHBondContact OD1-CB 3.38Å; D289-S291 PolarHBondContact OD1-N 3.35Å; D289-S291 PolarHBondContact OD1-OG 2.86Å; D289-S291 WeakPolarHBondContact OD2-CB 3.36Å; D289-S291 PolarHBondContact OD2-OG 3.09Å
290	G	89.9	Confident	96.3	Very high	35 Å²	35	43.3 Å²	43.3	36%	0.361	24%	0.244	S	C	.	.	S	Bend	trans	73.1	6.2	-177.3	0	0	0	0	0	115	N287 E288 G292 Q297	N287-G290 WeakPolarHBondContact O-CA 3.19Å; N287-G290 PolarHBondContact O-N 2.96Å; E288-G290 VanDerWaalsContact C-N 3.33Å; G290-G292 PolarHBondContact O-N 3.11Å; G290-Q297 PolarHBondContact O-NE2 3.39Å
291	S	93	Very high	96.3	Very high	70 Å²	70	46.3 Å²	46.3	49%	0.49	26%	0.26	S	S	.	.			trans	-70.6	-10.6	-172.9	62	0	0	0	0	115.3	N287 D289 Q297	N287-S291 PolarHBondContact ND2-OG 3.23Å; D289-S291 VanDerWaalsContact CG-OG 3.26Å; D289-S291 PolarHBondContact O-N 3.16Å; D289-S291 WeakPolarHBondContact OD1-CB 3.38Å; D289-S291 PolarHBondContact OD1-N 3.35Å; D289-S291 PolarHBondContact OD1-OG 2.86Å; D289-S291 WeakPolarHBondContact OD2-CB 3.36Å; D289-S291 PolarHBondContact OD2-OG 3.09Å; S291-Q297 VanDerWaalsContact C-NE2 3.33Å; S291-Q297 PolarHBondContact O-NE2 2.71Å
292	G	92.6	Very high	96.2	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.031	27%	0.265	C	S	.	.			trans	160.1	-161.2	-176.7	0	0	0	0	0	111.3	L286 N287 G290	L286-G292 CarbonylContact C-O 3.5Å; L286-G292 WeakPolarHBondContact CA-O 3.31Å; N287-G292 WeakPolarHBondContact CB-O 3.38Å; N287-G292 PolarHBondContact N-O 3.02Å; G290-G292 PolarHBondContact O-N 3.11Å
293	P	95.9	Very high	96.1	Very high	63 Å²	63	47.7 Å²	47.7	41%	0.409	27%	0.267	S	S	.	.			cis	-61.3	153.2	-8.9	27	-33.7	0	0	0	111.7	L285 T295 A296 Q297	L285-P293 WeakPolarHBondContact O-CD 3.5Å; P293-T295 PolarHBondContact O-N 2.92Å; P293-T295 VanDerWaalsContact O-N 3.16Å; P293-A296 HydrophobicContact CG-CB 3.92Å; P293-A296 PolarHBondContact O-N 2.86Å; P293-Q297 PolarHBondContact O-N 3.31Å; P293-Q297 VanDerWaalsContact O-N 3.15Å
294	L	95.4	Very high	96.1	Very high	104 Å²	104	49.9 Å²	49.9	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-54.8	-36.9	-178.8	177.6	61.4	0	0	0	112.1	A296 Q297 L298	L294-A296 PolarHBondContact O-N 2.82Å; L294-Q297 WeakPolarHBondContact O-CB 3.41Å; L294-Q297 PolarHBondContact O-N 3.21Å; L294-L298 HydrophobicContact CD1-CD1 4.42Å; L294-L298 HydrophobicContact CD1-CG 4.16Å; L294-L298 HydrophobicContact CG-CD1 4.12Å; L294-L298 HydrophobicContact CG-CG 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 2.89Å
295	T	94.6	Very high	96.1	Very high	68 Å²	68	49.9 Å²	49.9	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-46.5	176.7	-50.8	0	0	0	0	112.1	P293 Q297 L298 Y299	P293-T295 PolarHBondContact O-N 2.92Å; P293-T295 VanDerWaalsContact O-N 3.16Å; T295-Q297 VanDerWaalsContact C-N 3.33Å; T295-Q297 PolarHBondContact O-N 3.02Å; T295-L298 PolarHBondContact O-N 3.46Å; T295-Y299 HydrophobicContact CG2-CD1 4.4Å; T295-Y299 HydrophobicContact CG2-CE1 4.04Å; T295-Y299 WeakPolarHBondContact O-CD1 3.42Å; T295-Y299 PolarHBondContact O-N 3.44Å
296	A	96.9	Very high	95.9	Very high	3 Å²	3	50 Å²	50	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-35.7	177.5	0	0	0	0	0	111.6	A284 L286 P293 L294 Y299 S300 E311	A284-A296 HydrophobicContact CB-CB 4.26Å; L286-A296 HydrophobicContact CD2-CB 3.82Å; L286-A296 HydrophobicContact CG-CB 4.37Å; P293-A296 HydrophobicContact CG-CB 3.92Å; P293-A296 PolarHBondContact O-N 2.86Å; L294-A296 PolarHBondContact O-N 2.82Å; A296-Y299 PolarHBondContact O-N 2.93Å; A296-S300 PolarHBondContact O-N 2.67Å; A296-E311 WeakPolarHBondContact O-CG 3.38Å
297	Q	97.5	Very high	95.7	Very high	67 Å²	67	49.3 Å²	49.3	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-43.4	173.9	-67.2	172	-30	0	0	112.2	L286 G290 S291 P293 L294 T295 Y299 S300 L301	L286-Q297 HydrophobicContact CD2-CG 3.76Å; G290-Q297 PolarHBondContact O-NE2 3.39Å; S291-Q297 VanDerWaalsContact C-NE2 3.33Å; S291-Q297 PolarHBondContact O-NE2 2.71Å; P293-Q297 PolarHBondContact O-N 3.31Å; P293-Q297 VanDerWaalsContact O-N 3.15Å; L294-Q297 WeakPolarHBondContact O-CB 3.41Å; L294-Q297 PolarHBondContact O-N 3.21Å; T295-Q297 VanDerWaalsContact C-N 3.33Å; T295-Q297 PolarHBondContact O-N 3.02Å; Q297-Y299 VanDerWaalsContact C-N 3.3Å; Q297-Y299 PolarHBondContact O-N 3.35Å; Q297-S300 WeakPolarHBondContact O-CB 3.43Å; Q297-S300 PolarHBondContact O-N 3.16Å; Q297-L301 PolarHBondContact O-N 2.97Å
298	L	97.2	Very high	95.7	Very high	73 Å²	73	49.9 Å²	49.9	38%	0.382	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-35.1	174.8	-68.4	174.8	0	0	0	111.6	W117 L294 T295 L301 N302	W117-L298 HydrophobicContact CH2-CD2 4.04Å; L294-L298 HydrophobicContact CD1-CD1 4.42Å; L294-L298 HydrophobicContact CD1-CG 4.16Å; L294-L298 HydrophobicContact CG-CD1 4.12Å; L294-L298 HydrophobicContact CG-CG 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 2.89Å; T295-L298 PolarHBondContact O-N 3.46Å; L298-L301 HydrophobicContact CD2-CD1 4.5Å; L298-L301 PolarHBondContact O-N 2.84Å; L298-N302 WeakPolarHBondContact O-CB 3.48Å; L298-N302 PolarHBondContact O-N 2.88Å
299	Y	96.9	Very high	95.6	Very high	66 Å²	66	45.5 Å²	45.5	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-37.7	172.9	-77.7	14.9	0	0	0	111.7	A284 T295 A296 Q297 L301 N302 M303 I337 Y338	A284-Y299 HydrophobicContact CB-CD2 4.06Å; T295-Y299 HydrophobicContact CG2-CD1 4.4Å; T295-Y299 HydrophobicContact CG2-CE1 4.04Å; T295-Y299 WeakPolarHBondContact O-CD1 3.42Å; T295-Y299 PolarHBondContact O-N 3.44Å; A296-Y299 PolarHBondContact O-N 2.93Å; Q297-Y299 VanDerWaalsContact C-N 3.3Å; Q297-Y299 PolarHBondContact O-N 3.35Å; Y299-L301 VanDerWaalsContact C-N 3.32Å; Y299-L301 PolarHBondContact O-N 2.96Å; Y299-N302 CarbonylContact O-C 3.56Å; Y299-N302 WeakPolarHBondContact O-CA 3.47Å; Y299-N302 VanDerWaalsContact O-CB 3.22Å; Y299-N302 WeakPolarHBondContact O-CB 3.49Å; Y299-N302 PolarHBondContact O-N 3.43Å; Y299-M303 WeakPolarHBondContact O-CG 3.4Å; Y299-M303 PolarHBondContact O-N 2.82Å; Y299-I337 HydrophobicContact CE2-CG2 3.57Å; Y299-Y338 HydrophobicContact CE2-CE1 4.28Å
300	S	97.6	Very high	95.8	Very high	31 Å²	31	46.2 Å²	46.2	22%	0.217	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-38.1	173.5	-166.1	0	0	0	0	112.4	A296 Q297 N302 M303 L304 E311	A296-S300 PolarHBondContact O-N 2.67Å; Q297-S300 WeakPolarHBondContact O-CB 3.43Å; Q297-S300 PolarHBondContact O-N 3.16Å; S300-N302 VanDerWaalsContact C-N 3.31Å; S300-M303 PolarHBondContact O-N 3.34Å; S300-L304 PolarHBondContact O-N 2.85Å; S300-E311 PolarHBondContact OG-N 3.02Å
301	L	97.7	Very high	96.2	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.335	24%	0.235	S	C	.	.	H	α-helix	trans	-66.4	-36.9	171	-73.2	175.7	0	0	0	111.5	W117 L120 Q297 L298 Y299 M303 L304 V305	W117-L301 HydrophobicContact CH2-CB 4.09Å; W117-L301 HydrophobicContact CH2-CD1 4.46Å; W117-L301 HydrophobicContact CZ2-CB 4.29Å; L120-L301 HydrophobicContact CD1-CD2 4.45Å; Q297-L301 PolarHBondContact O-N 2.97Å; L298-L301 HydrophobicContact CD2-CD1 4.5Å; L298-L301 PolarHBondContact O-N 2.84Å; Y299-L301 VanDerWaalsContact C-N 3.32Å; Y299-L301 PolarHBondContact O-N 2.96Å; L301-M303 VanDerWaalsContact C-N 3.3Å; L301-M303 PolarHBondContact O-N 2.83Å; L301-L304 HydrophobicContact CD2-CD2 4.48Å; L301-L304 WeakPolarHBondContact O-CB 3.23Å; L301-L304 PolarHBondContact O-N 3.16Å; L301-V305 WeakPolarHBondContact O-CG2 3.38Å; L301-V305 PolarHBondContact O-N 2.96Å
302	N	97.4	Very high	96.4	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.107	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-39.4	174.7	-172.2	71.3	0	0	0	111.8	I113 W117 L298 Y299 S300 V305 Q306	I113-N302 WeakPolarHBondContact CG2-OD1 3.28Å; W117-N302 HydrophobicContact CZ2-CB 4.14Å; W117-N302 PolarHBondContact NE1-OD1 3.3Å; L298-N302 WeakPolarHBondContact O-CB 3.48Å; L298-N302 PolarHBondContact O-N 2.88Å; Y299-N302 CarbonylContact O-C 3.56Å; Y299-N302 WeakPolarHBondContact O-CA 3.47Å; Y299-N302 VanDerWaalsContact O-CB 3.22Å; Y299-N302 WeakPolarHBondContact O-CB 3.49Å; Y299-N302 PolarHBondContact O-N 3.43Å; S300-N302 VanDerWaalsContact C-N 3.31Å; N302-V305 PolarHBondContact O-N 3.49Å; N302-Q306 PolarHBondContact ND2-NE2 2.86Å; N302-Q306 WeakPolarHBondContact O-CB 3.42Å; N302-Q306 PolarHBondContact O-N 3.2Å; N302-Q306 PolarHBondContact OD1-NE2 2.79Å
303	M	97.1	Very high	96.7	Very high	9 Å²	9	42 Å²	42	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-43.9	172.8	-66.7	-56.3	94.9	0	0	111.3	H255 Y299 S300 L301 V305 Q306 T307	H255-M303 HydrophobicContact CB-CG 4.29Å; H255-M303 HydrophobicContact CB-SD 4.24Å; Y299-M303 WeakPolarHBondContact O-CG 3.4Å; Y299-M303 PolarHBondContact O-N 2.82Å; S300-M303 PolarHBondContact O-N 3.34Å; L301-M303 VanDerWaalsContact C-N 3.3Å; L301-M303 PolarHBondContact O-N 2.83Å; M303-V305 VanDerWaalsContact C-N 3.26Å; M303-V305 PolarHBondContact O-N 2.92Å; M303-Q306 PolarHBondContact O-N 2.93Å; M303-T307 WeakPolarHBondContact CA-OG1 3.4Å; M303-T307 WeakPolarHBondContact CB-OG1 3.44Å; M303-T307 HydrophobicContact CE-CG2 4.03Å; M303-T307 CarbonylContact O-C 3.42Å; M303-T307 WeakPolarHBondContact O-CA 3.41Å; M303-T307 PolarHBondContact O-N 3.24Å; M303-T307 PolarHBondContact O-OG1 3.14Å; M303-T307 HydrophobicContact SD-CG2 3.68Å; M303-T307 PolarHBondContact SD-OG1 3.32Å
304	L	97.6	Very high	96.8	Very high	46 Å²	46	39 Å²	39	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-41.5	173.5	173.6	63.2	0	0	0	112.6	A123 V124 R128 N129 S300 L301	A123-L304 HydrophobicContact CB-CG 4.27Å; V124-L304 HydrophobicContact CG2-CD2 4.2Å; R128-L304 CarbonylContact C-O 3.58Å; N129-L304 WeakPolarHBondContact CA-O 3.42Å; N129-L304 PolarHBondContact N-O 2.73Å; S300-L304 PolarHBondContact O-N 2.85Å; L301-L304 HydrophobicContact CD2-CD2 4.48Å; L301-L304 WeakPolarHBondContact O-CB 3.23Å; L301-L304 PolarHBondContact O-N 3.16Å
305	V	96.5	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76.3	-28.4	-175.6	168.3	0	0	0	0	112.6	C116 L120 A123 N129 Q130 L301 N302 M303	C116-V305 HydrophobicContact CB-CG1 3.41Å; C116-V305 VanDerWaalsContact CB-CG1 3.41Å; C116-V305 WeakPolarHBondContact O-CG1 3.41Å; L120-V305 HydrophobicContact CB-CG2 4.29Å; L120-V305 HydrophobicContact CD1-CG2 3.43Å; L120-V305 VanDerWaalsContact CD1-CG2 3.43Å; L120-V305 HydrophobicContact CG-CG2 4.45Å; A123-V305 HydrophobicContact CB-CG2 3.79Å; N129-V305 WeakPolarHBondContact CA-O 3.29Å; N129-V305 WeakPolarHBondContact CB-O 3.03Å; Q130-V305 PolarHBondContact N-O 2.95Å; L301-V305 WeakPolarHBondContact O-CG2 3.38Å; L301-V305 PolarHBondContact O-N 2.96Å; N302-V305 PolarHBondContact O-N 3.49Å; M303-V305 VanDerWaalsContact C-N 3.26Å; M303-V305 PolarHBondContact O-N 2.92Å
306	Q	93.9	Very high	97.1	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-116.1	-31.6	-170.9	-66.9	-167.3	91.2	0	0	114.6	C116 Y131 L142 N302 M303	C116-Q306 HydrophobicContact CB-CG 4.13Å; Y131-Q306 WeakPolarHBondContact CD2-O 3.27Å; Y131-Q306 HydrophobicContact CE2-CB 3.81Å; Y131-Q306 HydrophobicContact CE2-CG 4.13Å; Y131-Q306 WeakPolarHBondContact CE2-O 3.44Å; Y131-Q306 PolarHBondContact OH-OE1 3.21Å; L142-Q306 WeakPolarHBondContact CD1-O 3.39Å; N302-Q306 PolarHBondContact ND2-NE2 2.86Å; N302-Q306 WeakPolarHBondContact O-CB 3.42Å; N302-Q306 PolarHBondContact O-N 3.2Å; N302-Q306 PolarHBondContact OD1-NE2 2.79Å; M303-Q306 PolarHBondContact O-N 2.93Å
307	T	95.1	Very high	97.2	Very high	12 Å²	12	37.6 Å²	37.6	7%	0.074	19%	0.19	C	C	.	.	S	Bend	trans	-121.9	-161.3	-168.5	77.1	0	0	0	0	111.5	N129 L142 D256 M303 G309	N129-T307 WeakPolarHBondContact CB-O 3.18Å; N129-T307 PolarHBondContact ND2-O 2.69Å; L142-T307 HydrophobicContact CD1-CG2 4.47Å; L142-T307 HydrophobicContact CD2-CG2 4.35Å; D256-T307 WeakPolarHBondContact OD1-CG2 3.45Å; M303-T307 WeakPolarHBondContact CA-OG1 3.4Å; M303-T307 WeakPolarHBondContact CB-OG1 3.44Å; M303-T307 HydrophobicContact CE-CG2 4.03Å; M303-T307 CarbonylContact O-C 3.42Å; M303-T307 WeakPolarHBondContact O-CA 3.41Å; M303-T307 PolarHBondContact O-N 3.24Å; M303-T307 PolarHBondContact O-OG1 3.14Å; M303-T307 HydrophobicContact SD-CG2 3.68Å; M303-T307 PolarHBondContact SD-OG1 3.32Å; T307-G309 PolarHBondContact OG1-N 3.43Å
308	E	94.8	Very high	97.3	Very high	81 Å²	81	35.6 Å²	35.6	38%	0.379	18%	0.184	S	C	.	.	S	Bend	trans	-109.5	-6.2	173.3	-59	-178.1	165.1	0	0	112	D256 T258	D256-E308 CarbonylContact O-C 3.54Å; D256-E308 PolarHBondContact O-N 2.84Å; T258-E308 HydrophobicContact CG2-CB 4.22Å
309	G	96.3	Very high	97.4	Very high	8 Å²	8	35 Å²	35	8%	0.082	19%	0.19	C	C	.	.			trans	-106.8	-154.2	-169.1	0	0	0	0	0	114	H255 D256 W257 T307	H255-G309 CarbonylContact O-C 3.51Å; H255-G309 VanDerWaalsContact O-C 3.31Å; H255-G309 WeakPolarHBondContact O-CA 3.19Å; D256-G309 PolarHBondContact O-N 2.94Å; D256-G309 VanDerWaalsContact O-N 3.09Å; W257-G309 VanDerWaalsContact O-CA 3.29Å; W257-G309 WeakPolarHBondContact O-CA 3.27Å; T307-G309 PolarHBondContact OG1-N 3.43Å
310	R	97.8	Very high	97.5	Very high	138 Å²	138	32.4 Å²	32.4	52%	0.521	18%	0.181	S	C	.	.			trans	-166.6	160.8	-174.3	62.1	-172.7	70.1	177.1	3.7	110.6	H255 R312	H255-R310 WeakPolarHBondContact CA-O 3.43Å; H255-R310 PolarHBondContact O-N 3.37Å; R310-R312 HydrophobicContact CG-CG 4.06Å; R310-R312 PolarHBondContact O-NH1 3.49Å; R310-R312 VanDerWaalsContact O-NH1 3.16Å
311	E	98.1	Very high	97.5	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.014	17%	0.17	C	C	.	.			trans	-75	154.5	162.3	-56.7	-59.7	167.2	0	0	110	H255 L286 A296 S300	H255-E311 IonicContact CE1-OE1 3.23Å; H255-E311 IonicContact CG-OE1 3.79Å; H255-E311 IonicContact ND1-OE1 2.89Å; H255-E311 PolarHBondContact ND1-OE1 3.43Å; H255-E311 IonicContact ND1-OE2 2.79Å; L286-E311 HydrophobicContact CD1-CB 4.31Å; L286-E311 HydrophobicContact CG-CB 4.37Å; A296-E311 WeakPolarHBondContact O-CG 3.38Å; S300-E311 PolarHBondContact OG-N 3.02Å
312	R	98.4	Very high	97.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	18%	0.176	C	C	.	.			trans	-136.9	159.2	-173.6	-59.2	179.9	180	83	-7.9	110.7	L254 W257 D259 L286 R310 Q316 Y317	L254-R312 PolarHBondContact O-NH1 3.02Å; W257-R312 PolarHBondContact O-NH2 3Å; D259-R312 IonicContact OD1-CZ 3.65Å; D259-R312 VanDerWaalsContact OD1-CZ 3.23Å; D259-R312 IonicContact OD1-NE 3.73Å; D259-R312 PolarHBondContact OD1-NE 2.76Å; D259-R312 IonicContact OD1-NH2 3.49Å; D259-R312 PolarHBondContact OD1-NH2 2.88Å; L286-R312 PolarHBondContact N-O 2.95Å; L286-R312 VanDerWaalsContact N-O 3.13Å; R310-R312 HydrophobicContact CG-CG 4.06Å; R310-R312 PolarHBondContact O-NH1 3.49Å; R310-R312 VanDerWaalsContact O-NH1 3.16Å; R312-Q316 VanDerWaalsContact CA-OE1 3.3Å; R312-Q316 HydrophobicContact CB-CB 3.82Å; R312-Q316 HydrophobicContact CG-CB 4.49Å; R312-Y317 HydrophobicContact CB-CD1 4.48Å; R312-Y317 HydrophobicContact CB-CD2 3.82Å; R312-Y317 HydrophobicContact CB-CE1 4.23Å; R312-Y317 HydrophobicContact CB-CE2 3.59Å; R312-Y317 HydrophobicContact CB-CG 4.28Å; R312-Y317 HydrophobicContact CG-CE1 4.36Å; R312-Y317 HydrophobicContact CG-CE2 4.45Å
313	T	98.5	Very high	97.6	Very high	11 Å²	11	32.8 Å²	32.8	7%	0.067	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-73.6	165.7	171.5	79.6	0	0	0	0	111.1	L286 N287 E288 A315 Q316 Y317	L286-T313 HydrophobicContact CB-CG2 3.91Å; L286-T313 WeakPolarHBondContact O-CA 3.49Å; N287-T313 WeakPolarHBondContact O-CG2 3.28Å; E288-T313 WeakPolarHBondContact OE2-CB 3.36Å; E288-T313 PolarHBondContact OE2-OG1 3.46Å; T313-A315 VanDerWaalsContact C-N 3.28Å; T313-A315 PolarHBondContact O-N 2.9Å; T313-A315 PolarHBondContact OG1-N 2.9Å; T313-Q316 PolarHBondContact O-N 2.61Å; T313-Q316 PolarHBondContact OG1-N 2.81Å; T313-Y317 WeakPolarHBondContact O-CD2 3.49Å; T313-Y317 PolarHBondContact O-N 3.18Å
314	G	98.1	Very high	97.7	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-42.8	173.5	0	0	0	0	0	112	E288 Q316 Y317 A318	E288-G314 WeakPolarHBondContact OE1-CA 3.14Å; E288-G314 PolarHBondContact OE1-N 2.87Å; G314-Q316 PolarHBondContact O-N 2.9Å; G314-Y317 PolarHBondContact O-N 2.9Å; G314-A318 WeakPolarHBondContact O-CB 3.34Å; G314-A318 PolarHBondContact O-N 2.91Å
315	A	98.3	Very high	97.7	Very high	54 Å²	54	31.9 Å²	31.9	45%	0.446	20%	0.201	S	C	.	.	H	α-helix	trans	-64.2	-36.8	176.4	0	0	0	0	0	113.3	E288 T313 A318 A319	E288-A315 PolarHBondContact OE1-N 2.82Å; E288-A315 WeakPolarHBondContact OE2-CB 3.38Å; T313-A315 VanDerWaalsContact C-N 3.28Å; T313-A315 PolarHBondContact O-N 2.9Å; T313-A315 PolarHBondContact OG1-N 2.9Å; A315-A318 PolarHBondContact O-N 2.92Å; A315-A319 WeakPolarHBondContact O-CB 3.46Å; A315-A319 PolarHBondContact O-N 2.91Å
316	Q	98.6	Very high	97.8	Very high	91 Å²	91	32 Å²	32	43%	0.425	20%	0.201	S	C	.	.	H	α-helix	trans	-67.7	-44.7	177	-74.1	176.5	-39.2	0	0	112	R312 T313 G314 A318 A319 L320	R312-Q316 VanDerWaalsContact CA-OE1 3.3Å; R312-Q316 HydrophobicContact CB-CB 3.82Å; R312-Q316 HydrophobicContact CG-CB 4.49Å; T313-Q316 PolarHBondContact O-N 2.61Å; T313-Q316 PolarHBondContact OG1-N 2.81Å; G314-Q316 PolarHBondContact O-N 2.9Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 3.06Å; Q316-A319 WeakPolarHBondContact O-CB 3.19Å; Q316-A319 PolarHBondContact O-N 3.14Å; Q316-L320 PolarHBondContact O-N 2.89Å; Q316-L320 VanDerWaalsContact O-N 3.09Å
317	Y	98.8	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-38.6	172.7	-78.9	-60.4	0	0	0	112	L254 L281 E283 L285 R312 T313 G314 A319 L320 L321	L254-Y317 HydrophobicContact CB-CE1 3.92Å; L254-Y317 HydrophobicContact CD1-CD1 4.26Å; L254-Y317 HydrophobicContact CD1-CE1 4.3Å; L281-Y317 HydrophobicContact CD1-CD1 3.96Å; L281-Y317 HydrophobicContact CD1-CG 4.28Å; E283-Y317 HydrophobicContact CB-CE2 3.69Å; E283-Y317 HydrophobicContact CG-CE1 4.03Å; E283-Y317 HydrophobicContact CG-CE2 4.04Å; E283-Y317 WeakPolarHBondContact CG-OH 3.47Å; L285-Y317 HydrophobicContact CD2-CD2 3.35Å; L285-Y317 HydrophobicContact CD2-CE2 3.61Å; R312-Y317 HydrophobicContact CB-CD1 4.48Å; R312-Y317 HydrophobicContact CB-CD2 3.82Å; R312-Y317 HydrophobicContact CB-CE1 4.23Å; R312-Y317 HydrophobicContact CB-CE2 3.59Å; R312-Y317 HydrophobicContact CB-CG 4.28Å; R312-Y317 HydrophobicContact CG-CE1 4.36Å; R312-Y317 HydrophobicContact CG-CE2 4.45Å; T313-Y317 WeakPolarHBondContact O-CD2 3.49Å; T313-Y317 PolarHBondContact O-N 3.18Å; G314-Y317 PolarHBondContact O-N 2.9Å; Y317-A319 VanDerWaalsContact C-N 3.31Å; Y317-A319 PolarHBondContact O-N 3.42Å; Y317-L320 HydrophobicContact CD1-CD1 4.2Å; Y317-L320 PolarHBondContact O-N 3.19Å; Y317-L321 WeakPolarHBondContact O-CG 3.34Å; Y317-L321 PolarHBondContact O-N 2.86Å
318	A	98.7	Very high	98.1	Very high	24 Å²	24	39.8 Å²	39.8	20%	0.198	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-37.6	174.3	0	0	0	0	0	112.6	G314 A315 Q316 L321 A322 I329	G314-A318 WeakPolarHBondContact O-CB 3.34Å; G314-A318 PolarHBondContact O-N 2.91Å; A315-A318 PolarHBondContact O-N 2.92Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 3.06Å; A318-L321 PolarHBondContact O-N 3.46Å; A318-A322 VanDerWaalsContact O-CB 3.31Å; A318-A322 WeakPolarHBondContact O-CB 3.42Å; A318-A322 PolarHBondContact O-N 3.5Å; A318-I329 HydrophobicContact CB-CB 4.37Å; A318-I329 HydrophobicContact CB-CD1 4.47Å; A318-I329 HydrophobicContact CB-CG2 3.62Å; A318-I329 WeakPolarHBondContact O-CD1 3.39Å
319	A	98.7	Very high	98.3	Very high	61 Å²	61	38.1 Å²	38.1	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-41.8	174.9	0	0	0	0	0	112	A315 Q316 Y317 A322 A323	A315-A319 WeakPolarHBondContact O-CB 3.46Å; A315-A319 PolarHBondContact O-N 2.91Å; Q316-A319 WeakPolarHBondContact O-CB 3.19Å; Q316-A319 PolarHBondContact O-N 3.14Å; Y317-A319 VanDerWaalsContact C-N 3.31Å; Y317-A319 PolarHBondContact O-N 3.42Å; A319-A322 PolarHBondContact O-N 3.13Å; A319-A323 WeakPolarHBondContact O-CB 3.37Å; A319-A323 PolarHBondContact O-N 3.3Å
320	L	98.8	Very high	98.4	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-46.6	174.8	-65.8	174	0	0	0	111.5	D259 C262 I263 L266 Q316 Y317 A323 S324	D259-L320 HydrophobicContact CB-CD2 4Å; C262-L320 HydrophobicContact CB-CD1 4.07Å; C262-L320 HydrophobicContact CB-CD2 4.43Å; I263-L320 HydrophobicContact CD1-CD2 4.07Å; I263-L320 HydrophobicContact CG1-CD2 3.84Å; L266-L320 HydrophobicContact CD1-CB 3.95Å; Q316-L320 PolarHBondContact O-N 2.89Å; Q316-L320 VanDerWaalsContact O-N 3.09Å; Y317-L320 HydrophobicContact CD1-CD1 4.2Å; Y317-L320 PolarHBondContact O-N 3.19Å; L320-A323 PolarHBondContact O-N 2.99Å; L320-S324 PolarHBondContact O-N 2.91Å; L320-S324 PolarHBondContact O-OG 3.04Å
321	L	98.8	Very high	98.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-46.1	176.6	-75.4	172.6	0	0	0	112.2	L266 V279 L281 Y317 A318 S324 G325 F326 I329 V341	L266-L321 HydrophobicContact CD1-CD2 4.2Å; L266-L321 HydrophobicContact CD2-CD2 3.82Å; V279-L321 HydrophobicContact CG1-CD2 3.37Å; L281-L321 HydrophobicContact CD1-CD1 3.75Å; L281-L321 HydrophobicContact CD1-CD2 4.12Å; L281-L321 HydrophobicContact CD1-CG 3.89Å; L281-L321 HydrophobicContact CD2-CD2 4.47Å; L281-L321 HydrophobicContact CG-CD1 4.31Å; L281-L321 HydrophobicContact CG-CD2 4.44Å; Y317-L321 WeakPolarHBondContact O-CG 3.34Å; Y317-L321 PolarHBondContact O-N 2.86Å; A318-L321 PolarHBondContact O-N 3.46Å; L321-S324 PolarHBondContact O-N 3.2Å; L321-G325 PolarHBondContact O-N 3.02Å; L321-F326 HydrophobicContact CB-CB 4.17Å; L321-F326 HydrophobicContact CD2-CB 4.44Å; L321-F326 HydrophobicContact CD2-CD2 3.78Å; L321-F326 HydrophobicContact CD2-CE2 4.28Å; L321-F326 HydrophobicContact CD2-CG 4.19Å; L321-F326 WeakPolarHBondContact O-CB 3.36Å; L321-F326 PolarHBondContact O-N 2.96Å; L321-I329 HydrophobicContact CB-CD1 3.62Å; L321-I329 HydrophobicContact CB-CG1 4.18Å; L321-I329 HydrophobicContact CD1-CG1 4.39Å; L321-I329 HydrophobicContact CD1-CG2 3.84Å; L321-V341 HydrophobicContact CD1-CG1 3.82Å
322	A	98.7	Very high	98.4	Very high	56 Å²	56	45.9 Å²	45.9	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-40.6	179.1	0	0	0	0	0	112	A318 A319 S324 G325 I329	A318-A322 VanDerWaalsContact O-CB 3.31Å; A318-A322 WeakPolarHBondContact O-CB 3.42Å; A318-A322 PolarHBondContact O-N 3.5Å; A319-A322 PolarHBondContact O-N 3.13Å; A322-S324 PolarHBondContact O-N 2.76Å; A322-G325 PolarHBondContact O-N 3.13Å; A322-I329 HydrophobicContact CB-CD1 3.99Å
323	A	98.5	Very high	98.3	Very high	67 Å²	67	51.2 Å²	51.2	55%	0.554	30%	0.301	S	S	*	.	H	α-helix	trans	-61.5	-26.7	176	0	0	0	0	0	112.8	I263 A319 L320	I263-A323 HydrophobicContact CD1-CB 4.31Å; I263-A323 HydrophobicContact CG1-CB 4.44Å; A319-A323 WeakPolarHBondContact O-CB 3.37Å; A319-A323 PolarHBondContact O-N 3.3Å; L320-A323 PolarHBondContact O-N 2.99Å
324	S	98.3	Very high	98.2	Very high	8 Å²	8	52.3 Å²	52.3	6%	0.056	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.2	176.6	-61.3	0	0	0	0	114.6	I263 L266 Y270 L320 L321 A322	I263-S324 PolarHBondContact O-OG 2.99Å; L266-S324 WeakPolarHBondContact CB-OG 3.38Å; Y270-S324 WeakPolarHBondContact CB-O 3.32Å; Y270-S324 VanDerWaalsContact CG-O 3.32Å; L320-S324 PolarHBondContact O-N 2.91Å; L320-S324 PolarHBondContact O-OG 3.04Å; L321-S324 PolarHBondContact O-N 3.2Å; A322-S324 PolarHBondContact O-N 2.76Å
325	G	98.2	Very high	97.8	Very high	28 Å²	28	55.7 Å²	55.7	29%	0.289	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-1.4	174.7	0	0	0	0	0	115.7	Y270 L321 A322	Y270-G325 WeakPolarHBondContact CE2-O 3.29Å; L321-G325 PolarHBondContact O-N 3.02Å; A322-G325 PolarHBondContact O-N 3.13Å
326	F	98.6	Very high	97.5	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.018	35%	0.348	C	S	.	.			trans	-71.5	149.7	174.7	-65.4	-82.6	0	0	0	111.4	L266 I269 Y270 V279 L321 H344	L266-F326 HydrophobicContact CB-CE2 4.43Å; L266-F326 HydrophobicContact CD2-CE2 4.4Å; I269-F326 HydrophobicContact CB-CZ 4.47Å; I269-F326 HydrophobicContact CG2-CZ 4.04Å; Y270-F326 AromaticContact CD2-CD1 3.94Å; Y270-F326 HydrophobicContact CD2-CD1 3.94Å; Y270-F326 HydrophobicContact CD2-CD2 4.11Å; Y270-F326 AromaticContact CD2-CE1 3.91Å; Y270-F326 HydrophobicContact CD2-CE1 3.91Å; Y270-F326 HydrophobicContact CD2-CE2 4.09Å; Y270-F326 HydrophobicContact CD2-CG 4.04Å; Y270-F326 AromaticContact CD2-CZ 3.98Å; Y270-F326 HydrophobicContact CD2-CZ 3.98Å; Y270-F326 HydrophobicContact CE2-CD1 4.5Å; Y270-F326 HydrophobicContact CG-CE2 4.48Å; Y270-F326 HydrophobicContact CG-CZ 4.44Å; V279-F326 HydrophobicContact CB-CE1 3.92Å; V279-F326 HydrophobicContact CB-CZ 3.93Å; V279-F326 HydrophobicContact CG1-CD1 3.66Å; V279-F326 HydrophobicContact CG1-CD2 4.02Å; V279-F326 HydrophobicContact CG1-CE1 3.46Å; V279-F326 VanDerWaalsContact CG1-CE1 3.46Å; V279-F326 HydrophobicContact CG1-CE2 3.84Å; V279-F326 HydrophobicContact CG1-CG 3.94Å; V279-F326 HydrophobicContact CG1-CZ 3.56Å; L321-F326 HydrophobicContact CB-CB 4.17Å; L321-F326 HydrophobicContact CD2-CB 4.44Å; L321-F326 HydrophobicContact CD2-CD2 3.78Å; L321-F326 HydrophobicContact CD2-CE2 4.28Å; L321-F326 HydrophobicContact CD2-CG 4.19Å; L321-F326 WeakPolarHBondContact O-CB 3.36Å; L321-F326 PolarHBondContact O-N 2.96Å; F326-H344 CarbonylContact C-O 3.42Å; F326-H344 WeakPolarHBondContact CA-O 3.24Å
327	T	98.3	Very high	97.2	Very high	67 Å²	67	58.2 Å²	58.2	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	178.7	-178.5	68.2	0	0	0	0	110.6	I329 H344	T327-I329 PolarHBondContact O-N 2.89Å; T327-H344 PolarHBondContact N-O 2.63Å; T327-H344 PolarHBondContact O-N 3.2Å; T327-H344 PolarHBondContact OG1-O 2.78Å
328	N	97.6	Very high	97.1	Very high	118 Å²	118	58.3 Å²	58.3	63%	0.631	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.1	45.1	-179.6	-61.6	-31.7	0	0	0	113.1	H344	N328-H344 HydrophobicContact CB-CB 4.39Å
329	I	98.6	Very high	97.1	Very high	46 Å²	46	57.8 Å²	57.8	24%	0.236	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.4	-172.2	-57.7	159.6	0	0	0	110	A318 L321 A322 T327 V341 L342	A318-I329 HydrophobicContact CB-CB 4.37Å; A318-I329 HydrophobicContact CB-CD1 4.47Å; A318-I329 HydrophobicContact CB-CG2 3.62Å; A318-I329 WeakPolarHBondContact O-CD1 3.39Å; L321-I329 HydrophobicContact CB-CD1 3.62Å; L321-I329 HydrophobicContact CB-CG1 4.18Å; L321-I329 HydrophobicContact CD1-CG1 4.39Å; L321-I329 HydrophobicContact CD1-CG2 3.84Å; A322-I329 HydrophobicContact CB-CD1 3.99Å; T327-I329 PolarHBondContact O-N 2.89Å; I329-V341 HydrophobicContact CG2-CG1 3.89Å; I329-L342 VanDerWaalsContact CA-O 3.29Å; I329-L342 WeakPolarHBondContact CA-O 3.47Å
330	Q	98.3	Very high	97.1	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.1	178.2	-62.2	179.2	34.8	0	0	109.4	F175 V341 L342	F175-Q330 HydrophobicContact CE1-CB 3.82Å; F175-Q330 HydrophobicContact CZ-CB 4.06Å; F175-Q330 WeakPolarHBondContact CZ-O 3.48Å; Q330-V341 CarbonylContact O-C 3.52Å; Q330-V341 WeakPolarHBondContact O-CA 3.45Å; Q330-L342 PolarHBondContact N-O 2.9Å; Q330-L342 PolarHBondContact O-N 2.85Å
331	H	97.9	Very high	97.1	Very high	84 Å²	84	54.4 Å²	54.4	39%	0.389	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.9	168.7	67.2	-96.1	0	0	0	111.1	L285 A340 V341	L285-H331 HydrophobicContact CD1-CB 4.17Å; H331-A340 CarbonylContact C-O 3.59Å; H331-A340 WeakPolarHBondContact CA-O 3.48Å; H331-V341 HydrophobicContact CB-CB 4.38Å; H331-V341 HydrophobicContact CB-CG1 4.27Å; H331-V341 HydrophobicContact CB-CG2 3.88Å
332	R	97.8	Very high	97	Very high	131 Å²	131	54.9 Å²	54.9	49%	0.494	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.8	-179.8	-68.7	-72.7	-178.4	-172.6	-2.8	109.2	A174 F175 D339 A340	A174-R332 HydrophobicContact CB-CB 4.12Å; F175-R332 HydrophobicContact CD1-CG 4.17Å; F175-R332 HydrophobicContact CD2-CG 4.35Å; F175-R332 HydrophobicContact CE1-CG 3.56Å; F175-R332 HydrophobicContact CE2-CB 4.11Å; F175-R332 HydrophobicContact CE2-CG 3.76Å; F175-R332 HydrophobicContact CZ-CB 4.08Å; F175-R332 HydrophobicContact CZ-CG 3.34Å; R332-D339 WeakPolarHBondContact O-CB 3.49Å; R332-A340 PolarHBondContact N-O 2.71Å; R332-A340 PolarHBondContact O-N 2.97Å; R332-A340 VanDerWaalsContact O-N 3.1Å
333	L	96.6	Very high	97	Very high	117 Å²	117	52.2 Å²	52.2	61%	0.613	29%	0.292	S	S	*	.			trans	-78.1	125.9	170.7	-56.2	-179	0	0	0	109.2	L285 G335 D339	L285-L333 HydrophobicContact CB-CD2 4.34Å; L285-L333 HydrophobicContact CD1-CD2 4.05Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-D339 WeakPolarHBondContact CA-OD1 3.25Å; L333-D339 HydrophobicContact CD2-CB 4.23Å
334	T	95.1	Very high	97	Very high	34 Å²	34	51.4 Å²	51.4	21%	0.209	28%	0.277	C	S	.	.			trans	-84.6	-14.6	-179.8	64.4	0	0	0	0	112.4	D170 V171 A174 K336 Y338 D339	D170-T334 HydrophobicContact CB-CG2 4.27Å; V171-T334 HydrophobicContact CG1-CG2 4.03Å; A174-T334 HydrophobicContact CB-CG2 4.44Å; T334-K336 PolarHBondContact O-N 3.12Å; T334-K336 WeakPolarHBondContact OG1-CB 3.1Å; T334-K336 PolarHBondContact OG1-N 3.11Å; T334-Y338 VanDerWaalsContact CG2-O 3.31Å; T334-Y338 WeakPolarHBondContact CG2-O 3.35Å; T334-Y338 PolarHBondContact OG1-O 2.9Å; T334-D339 PolarHBondContact N-OD1 3.39Å
335	G	91.5	Very high	97	Very high	72 Å²	72	54.6 Å²	54.6	74%	0.742	29%	0.29	S	S	*	.	S	Bend	trans	73.5	11.1	-168.4	0	0	0	0	0	113.2	L333	L333-G335 VanDerWaalsContact C-N 3.34Å
336	K	91.8	Very high	96.9	Very high	132 Å²	132	55.9 Å²	55.9	57%	0.574	29%	0.29	S	S	*	.	S	Bend	trans	-114.9	-160.2	173.6	-55.7	-62.3	-176.1	178.2	0	109.7	C167 T334	C167-K336 HydrophobicContact CB-CB 4.49Å; T334-K336 PolarHBondContact O-N 3.12Å; T334-K336 WeakPolarHBondContact OG1-CB 3.1Å; T334-K336 PolarHBondContact OG1-N 3.11Å
337	I	91.3	Very high	96.8	Very high	66 Å²	66	58.6 Å²	58.6	34%	0.338	30%	0.304	S	S	.	.	S	Bend	trans	-72.8	-37.4	-175.3	-63.4	171.9	0	0	0	111.9	I163 A284 Y299	I163-I337 HydrophobicContact CD1-CD1 4.26Å; A284-I337 WeakPolarHBondContact CB-O 3.35Å; Y299-I337 HydrophobicContact CE2-CG2 3.57Å
338	Y	97.1	Very high	96.7	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.012	30%	0.298	C	S	.	.			trans	-116.9	146.2	-176.8	-56.8	-80.7	0	0	0	110.5	I163 W164 V171 R252 A284 Y299 T334	I163-Y338 HydrophobicContact CD1-CE2 4.13Å; I163-Y338 HydrophobicContact CG1-CD2 4.42Å; I163-Y338 HydrophobicContact CG1-CE2 3.46Å; I163-Y338 VanDerWaalsContact CG1-CE2 3.46Å; W164-Y338 HydrophobicContact CH2-CD1 4.45Å; W164-Y338 HydrophobicContact CH2-CD2 4.26Å; W164-Y338 HydrophobicContact CH2-CG 4.21Å; W164-Y338 AromaticContact CZ3-CD2 3.93Å; W164-Y338 HydrophobicContact CZ3-CD2 3.93Å; W164-Y338 HydrophobicContact CZ3-CE2 4.41Å; W164-Y338 HydrophobicContact CZ3-CG 4.15Å; V171-Y338 WeakPolarHBondContact CG1-O 3.36Å; R252-Y338 VanDerWaalsContact CD-CE1 3.48Å; R252-Y338 HydrophobicContact CG-CD1 4.12Å; R252-Y338 HydrophobicContact CG-CE1 3.66Å; R252-Y338 PolarHBondContact NE-OH 3.43Å; R252-Y338 PolarHBondContact NH1-OH 3.18Å; A284-Y338 HydrophobicContact CB-CD1 4.27Å; A284-Y338 HydrophobicContact CB-CE1 4.48Å; Y299-Y338 HydrophobicContact CE2-CE1 4.28Å; T334-Y338 VanDerWaalsContact CG2-O 3.31Å; T334-Y338 WeakPolarHBondContact CG2-O 3.35Å; T334-Y338 PolarHBondContact OG1-O 2.9Å
339	D	97.9	Very high	96.7	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.064	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	173.5	-178.7	-56.3	-59.5	0	0	0	109.3	V282 E283 L285 R332 L333 T334	V282-D339 WeakPolarHBondContact CA-O 3.35Å; E283-D339 PolarHBondContact N-O 3.14Å; E283-D339 PolarHBondContact O-N 3.18Å; L285-D339 HydrophobicContact CB-CB 4.3Å; L285-D339 WeakPolarHBondContact CB-OD2 3.47Å; L285-D339 HydrophobicContact CD1-CB 3.59Å; L285-D339 HydrophobicContact CG-CB 3.73Å; L285-D339 PolarHBondContact N-OD2 3.47Å; R332-D339 WeakPolarHBondContact O-CB 3.49Å; L333-D339 WeakPolarHBondContact CA-OD1 3.25Å; L333-D339 HydrophobicContact CD2-CB 4.23Å; T334-D339 PolarHBondContact N-OD1 3.39Å
340	A	98.5	Very high	96.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.1	-174.3	0	0	0	0	0	111.3	A174 F175 L280 L281 H331 R332	A174-A340 HydrophobicContact CB-CB 3.62Å; F175-A340 HydrophobicContact CD2-CB 3.99Å; F175-A340 HydrophobicContact CE2-CB 3.68Å; L280-A340 HydrophobicContact CD1-CB 4.01Å; L281-A340 CarbonylContact O-C 3.6Å; L281-A340 WeakPolarHBondContact O-CA 3.49Å; H331-A340 CarbonylContact C-O 3.59Å; H331-A340 WeakPolarHBondContact CA-O 3.48Å; R332-A340 PolarHBondContact N-O 2.71Å; R332-A340 PolarHBondContact O-N 2.97Å; R332-A340 VanDerWaalsContact O-N 3.1Å
341	V	98.7	Very high	96.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.9	170.7	-168.2	0	0	0	0	109	L280 L281 L285 L321 I329 Q330 H331	L280-V341 CarbonylContact C-O 3.31Å; L280-V341 WeakPolarHBondContact CA-O 3.5Å; L281-V341 HydrophobicContact CB-CB 4.1Å; L281-V341 HydrophobicContact CD1-CB 4.3Å; L281-V341 HydrophobicContact CG-CB 4.4Å; L281-V341 PolarHBondContact N-O 3.15Å; L281-V341 PolarHBondContact O-N 2.88Å; L285-V341 HydrophobicContact CD1-CG2 4.16Å; L285-V341 HydrophobicContact CD2-CG2 4.16Å; L321-V341 HydrophobicContact CD1-CG1 3.82Å; I329-V341 HydrophobicContact CG2-CG1 3.89Å; Q330-V341 CarbonylContact O-C 3.52Å; Q330-V341 WeakPolarHBondContact O-CA 3.45Å; H331-V341 HydrophobicContact CB-CB 4.38Å; H331-V341 HydrophobicContact CB-CG1 4.27Å; H331-V341 HydrophobicContact CB-CG2 3.88Å
342	L	98.8	Very high	96.3	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128	-178	-175.7	70.7	0	0	0	109.9	F175 L247 A278 V279 L280 I329 Q330	F175-L342 HydrophobicContact CB-CD2 4.09Å; F175-L342 HydrophobicContact CD1-CB 4.25Å; F175-L342 HydrophobicContact CD1-CD2 3.87Å; F175-L342 HydrophobicContact CD2-CB 3.93Å; F175-L342 HydrophobicContact CD2-CD2 4.4Å; F175-L342 HydrophobicContact CE1-CB 4.06Å; F175-L342 HydrophobicContact CE1-CD2 4.37Å; F175-L342 HydrophobicContact CE2-CB 3.72Å; F175-L342 HydrophobicContact CG-CB 4.18Å; F175-L342 HydrophobicContact CG-CD2 3.87Å; F175-L342 HydrophobicContact CZ-CB 3.78Å; L247-L342 HydrophobicContact CD1-CD1 4.11Å; A278-L342 HydrophobicContact CB-CD1 3.89Å; V279-L342 WeakPolarHBondContact O-CA 3.23Å; L280-L342 HydrophobicContact CB-CD1 4.19Å; L280-L342 HydrophobicContact CD1-CB 4.32Å; L280-L342 HydrophobicContact CD1-CD1 4.21Å; I329-L342 VanDerWaalsContact CA-O 3.29Å; I329-L342 WeakPolarHBondContact CA-O 3.47Å; Q330-L342 PolarHBondContact N-O 2.9Å; Q330-L342 PolarHBondContact O-N 2.85Å
343	G	98.5	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.2	171.9	0	0	0	0	0	111.4	A278 V279	A278-G343 CarbonylContact C-O 3.53Å; A278-G343 VanDerWaalsContact CA-O 3.27Å; A278-G343 WeakPolarHBondContact CA-O 3.38Å; A278-G343 WeakPolarHBondContact CB-O 3.46Å; V279-G343 PolarHBondContact N-O 2.85Å; V279-G343 PolarHBondContact O-N 3.03Å
344	H	98.4	Very high	96.2	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.227	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149.4	-178.2	-66	93	0	0	0	111.6	F326 T327 N328	F326-H344 CarbonylContact C-O 3.42Å; F326-H344 WeakPolarHBondContact CA-O 3.24Å; T327-H344 PolarHBondContact N-O 2.63Å; T327-H344 PolarHBondContact O-N 3.2Å; T327-H344 PolarHBondContact OG1-O 2.78Å; N328-H344 HydrophobicContact CB-CB 4.39Å
345	K	96.4	Very high	96.3	Very high	75 Å²	75	38.3 Å²	38.3	33%	0.326	21%	0.213	S	C	.	.			trans	-82.6	0	169.7	177.2	160.7	-176	176.2	0	112.4	Y270 C273 S277	Y270-K345 HydrophobicContact CD2-CB 4.43Å; Y270-K345 HydrophobicContact CD2-CD 4.2Å; Y270-K345 HydrophobicContact CD2-CG 4.23Å; Y270-K345 HydrophobicContact CE1-CD 4.39Å; Y270-K345 HydrophobicContact CE2-CB 4.02Å; Y270-K345 HydrophobicContact CE2-CD 3.92Å; Y270-K345 HydrophobicContact CE2-CG 3.59Å; Y270-K345 WeakPolarHBondContact O-CD 3.11Å; Y270-K345 WeakPolarHBondContact O-CE 3.37Å; Y270-K345 PolarHBondContact O-NZ 3.29Å; C273-K345 HydrophobicContact CB-CB 4.08Å; C273-K345 HydrophobicContact CB-CD 3.32Å; C273-K345 HydrophobicContact CB-CG 4.32Å; C273-K345 WeakPolarHBondContact O-CD 3.3Å; C273-K345 PolarHBondContact O-NZ 3.11Å; S277-K345 PolarHBondContact O-N 3.32Å

Retrieved 345 of 345 residues in 2761.8 ms (Link to these results)

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