A0A087Y5G1_POEFO Loading...

Elongin-C

SIII, also known as elongin, is a general transcription elongation factor that increases the RNA polymerase II transcription elongation past template-encoded arresting sites. Subunit A is transcriptionally active and its transcription activity is strongly enhanced by binding to the dimeric complex of the SIII regulatory subunits B and C (elongin BC complex). In embryonic stem cells, the elongin BC complex is recruited by EPOP to Polycomb group (PcG) target genes in order generate genomic region that display both active and repressive chromatin properties, an important feature of pluripotent stem cells.

AlphaFold DB (A0A3B3TZZ8), UniProt , Accession A0A087Y5G1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 112 aa.

						>A0A087Y5G1_POEFO|A0A087Y5G1
MDGEERTFGGCEGPDAMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	56.8	Low	240 Å²	240	131.3 Å²	131.3	100%	1.182	71%	0.711	S	S	*	*				0	83.9	0	-78.4	178.7	176.4	0	0	105.1	G3	M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.99Å
2	D	44.5	Very low	58.1	Low	165 Å²	165	134.3 Å²	134.3	88%	0.882	72%	0.717	S	S	*	*			trans	-67	96.1	177.2	-62.5	-79.1	0	0	0	107.9	E4	D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 3.4Å; D2-E4 VanDerWaalsContact O-N 3.1Å
3	G	52.9	Low	58.8	Low	71 Å²	71	125.3 Å²	125.3	73%	0.732	68%	0.676	S	S	*	*			trans	-73.6	91.7	164.9	0	0	0	0	0	106.9	M1 E5	M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.99Å; G3-E5 PolarHBondContact O-N 2.59Å
4	E	50.4	Low	59.5	Low	179 Å²	179	121.1 Å²	121.1	84%	0.836	66%	0.658	S	S	*	*			trans	-50.9	114	164.1	-88.1	178.4	146.1	0	0	107.7	D2 R6	D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 3.4Å; D2-E4 VanDerWaalsContact O-N 3.1Å; E4-R6 PolarHBondContact O-N 2.88Å
5	E	51.5	Low	60.3	Low	176 Å²	176	123.2 Å²	123.2	82%	0.822	67%	0.669	S	S	*	*			trans	-53.3	113.9	165.2	-78.4	178.9	133.6	0	0	106.6	G3 T7	G3-E5 PolarHBondContact O-N 2.59Å; E5-T7 VanDerWaalsContact C-N 3.28Å; E5-T7 PolarHBondContact O-N 3.45Å
6	R	54.8	Low	61.6	Low	210 Å²	210	115.9 Å²	115.9	79%	0.792	63%	0.63	S	S	*	*			trans	-66.6	96.5	173.7	-62.7	-176.3	-143	172.4	6.6	106.5	E4 F8	E4-R6 PolarHBondContact O-N 2.88Å; R6-F8 VanDerWaalsContact C-N 3.33Å; R6-F8 HydrophobicContact CB-CE2 4.3Å; R6-F8 HydrophobicContact CB-CZ 4.35Å; R6-F8 VanDerWaalsContact O-CD2 3.25Å; R6-F8 WeakPolarHBondContact O-CD2 3.36Å; R6-F8 PolarHBondContact O-N 3.02Å
7	T	55.7	Low	63.2	Low	125 Å²	125	113.9 Å²	113.9	77%	0.767	62%	0.617	S	S	*	*			trans	-63.6	99.9	167.7	48.3	0	0	0	0	106.5	E5 G9	E5-T7 VanDerWaalsContact C-N 3.28Å; E5-T7 PolarHBondContact O-N 3.45Å; T7-G9 PolarHBondContact O-N 2.52Å
8	F	57.9	Low	64.7	Low	154 Å²	154	110.1 Å²	110.1	68%	0.675	59%	0.593	S	S	*	*			trans	-68.6	101.7	169.2	-63.2	-84.2	0	0	0	105.8	R6	R6-F8 VanDerWaalsContact C-N 3.33Å; R6-F8 HydrophobicContact CB-CE2 4.3Å; R6-F8 HydrophobicContact CB-CZ 4.35Å; R6-F8 VanDerWaalsContact O-CD2 3.25Å; R6-F8 WeakPolarHBondContact O-CD2 3.36Å; R6-F8 PolarHBondContact O-N 3.02Å
9	G	67.4	Low	66.2	Low	32 Å²	32	104.3 Å²	104.3	33%	0.33	56%	0.561	S	S	.	*			trans	-57.6	159.5	-179.4	0	0	0	0	0	112.2	T7 Y18	T7-G9 PolarHBondContact O-N 2.52Å; G9-Y18 VanDerWaalsContact O-CD2 3.27Å; G9-Y18 WeakPolarHBondContact O-CD2 3.19Å
10	G	76.6	Confident	67.6	Low	51 Å²	51	100.6 Å²	100.6	53%	0.526	54%	0.54	S	S	.	.			trans	-77.8	-174.8	177.9	0	0	0	0	0	113.9	M17 Y18	G10-M17 PolarHBondContact O-N 3.15Å; G10-Y18 PolarHBondContact O-N 3.34Å
11	C	71.4	Confident	68.9	Low	41 Å²	41	95.8 Å²	95.8	28%	0.277	51%	0.514	S	S	.	.	S	Bend	trans	-102.7	13.6	170.8	55.4	0	0	0	0	113	N58	C11-N58 VanDerWaalsContact O-CB 3.31Å; C11-N58 WeakPolarHBondContact O-CB 3.23Å; C11-N58 PolarHBondContact O-ND2 2.98Å
12	E	72.2	Confident	71.6	Confident	168 Å²	168	85.4 Å²	85.4	79%	0.785	46%	0.463	S	S	*	.	B	Isolated β-bridge	trans	-113.7	140.5	-174.3	-63.2	-178.2	166.8	0	0	111.1
13	G	67.9	Low	74.1	Confident	17 Å²	17	77.6 Å²	77.6	18%	0.175	42%	0.422	C	S	.	.	S	Bend	trans	83.9	172.1	175.1	0	0	0	0	0	115.4	D15 A16 E56 N58	G13-D15 PolarHBondContact O-N 3.39Å; G13-A16 WeakPolarHBondContact O-CB 3.22Å; G13-A16 PolarHBondContact O-N 2.96Å; G13-A16 VanDerWaalsContact O-N 3.16Å; G13-E56 PolarHBondContact N-O 3.26Å; G13-N58 PolarHBondContact N-ND2 3.3Å; G13-N58 PolarHBondContact O-ND2 2.88Å
14	P	67.6	Low	76.3	Confident	67 Å²	67	77 Å²	77	44%	0.435	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.6	-171.4	19	-29.8	0	0	0	114	R33 E56	P14-R33 PolarHBondContact O-NH1 2.72Å; P14-E56 WeakPolarHBondContact CA-OE2 3.26Å; P14-E56 WeakPolarHBondContact CB-OE2 3.38Å; P14-E56 WeakPolarHBondContact CD-OE2 3.21Å; P14-E56 VanDerWaalsContact N-OE2 3.13Å
15	D	72.2	Confident	78.5	Confident	152 Å²	152	72.1 Å²	72.1	81%	0.813	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	14.8	-176.7	-61.7	-48.1	0	0	0	112.6	G13 M17	G13-D15 PolarHBondContact O-N 3.39Å; D15-M17 PolarHBondContact O-N 2.79Å
16	A	81.1	Confident	80.7	Confident	6 Å²	6	66.1 Å²	66.1	5%	0.05	37%	0.371	C	S	.	.			trans	-55.8	129.7	178.3	0	0	0	0	0	111.6	G13 Y18 R33 N58	G13-A16 WeakPolarHBondContact O-CB 3.22Å; G13-A16 PolarHBondContact O-N 2.96Å; G13-A16 VanDerWaalsContact O-N 3.16Å; A16-Y18 VanDerWaalsContact C-N 3.25Å; A16-Y18 PolarHBondContact O-N 2.72Å; A16-R33 WeakPolarHBondContact O-CD 3.28Å; A16-N58 HydrophobicContact CB-CB 4.42Å; A16-N58 WeakPolarHBondContact CB-ND2 3.5Å
17	M	88.1	Confident	82.7	Confident	82 Å²	82	61 Å²	61	40%	0.404	36%	0.356	S	S	.	.	S	Bend	trans	-73.5	-24.5	178.7	-173.1	176.3	-175.2	0	0	111.5	G10 D15 K32 R33	G10-M17 PolarHBondContact O-N 3.15Å; D15-M17 PolarHBondContact O-N 2.79Å; M17-K32 WeakPolarHBondContact O-CA 3.5Å; M17-R33 PolarHBondContact O-N 2.94Å
18	Y	90.9	Very high	84.7	Confident	46 Å²	46	60.5 Å²	60.5	18%	0.18	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.4	-177.4	-63.3	-91.1	0	0	0	111.6	G9 G10 A16 I30 V31 K32	G9-Y18 VanDerWaalsContact O-CD2 3.27Å; G9-Y18 WeakPolarHBondContact O-CD2 3.19Å; G10-Y18 PolarHBondContact O-N 3.34Å; A16-Y18 VanDerWaalsContact C-N 3.25Å; A16-Y18 PolarHBondContact O-N 2.72Å; Y18-I30 HydrophobicContact CD1-CG2 3.87Å; Y18-I30 HydrophobicContact CG-CG2 4.03Å; Y18-V31 CarbonylContact C-O 3.55Å; Y18-V31 VanDerWaalsContact CA-O 3.26Å; Y18-V31 WeakPolarHBondContact CA-O 3.47Å; Y18-K32 HydrophobicContact CD1-CG 4.19Å; Y18-K32 HydrophobicContact CE1-CG 3.72Å
19	V	92.4	Very high	86.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.2	170.7	-53.6	0	0	0	0	108.9	L21 V31 R33 A36 L46 N58	V19-L21 HydrophobicContact CG2-CD2 4.14Å; V19-V31 HydrophobicContact CG2-CG2 3.53Å; V19-V31 PolarHBondContact N-O 2.83Å; V19-V31 PolarHBondContact O-N 2.83Å; V19-R33 HydrophobicContact CG1-CB 3.92Å; V19-R33 HydrophobicContact CG1-CG 3.82Å; V19-A36 HydrophobicContact CG2-CB 3.51Å; V19-L46 HydrophobicContact CG1-CD1 3.87Å; V19-L46 HydrophobicContact CG1-CD2 4.39Å; V19-N58 CarbonylContact C-O 3.53Å; V19-N58 WeakPolarHBondContact CA-O 3.15Å; V19-N58 HydrophobicContact CB-CB 4.39Å; V19-N58 HydrophobicContact CG1-CB 4.13Å
20	K	94.4	Very high	87.9	Confident	29 Å²	29	58 Å²	58	13%	0.126	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.9	175.6	-175.8	-171.6	-68.1	-179.1	0	109.5	I22 E28 F29 I30 N58 E59 V60	K20-I22 HydrophobicContact CD-CD1 3.92Å; K20-I22 HydrophobicContact CD-CG1 3.88Å; K20-I22 HydrophobicContact CG-CD1 4.44Å; K20-I22 HydrophobicContact CG-CG1 3.9Å; K20-E28 HydrophobicContact CD-CB 4.25Å; K20-E28 HydrophobicContact CD-CG 4.09Å; K20-E28 WeakPolarHBondContact CD-OE2 3.41Å; K20-E28 WeakPolarHBondContact CE-OE2 3.31Å; K20-E28 HydrophobicContact CG-CB 4.15Å; K20-E28 HydrophobicContact CG-CG 4.47Å; K20-E28 IonicContact NZ-OE1 2.92Å; K20-E28 IonicContact NZ-OE2 3.93Å; K20-E28 PolarHBondContact NZ-OE2 3.29Å; K20-E28 VanDerWaalsContact NZ-OE2 3.15Å; K20-F29 WeakPolarHBondContact CA-O 3.34Å; K20-I30 HydrophobicContact CB-CD1 3.78Å; K20-I30 HydrophobicContact CD-CD1 4.5Å; K20-I30 HydrophobicContact CG-CD1 3.77Å; K20-N58 PolarHBondContact N-O 2.88Å; K20-E59 HydrophobicContact CB-CB 4.36Å; K20-E59 HydrophobicContact CB-CG 3.98Å; K20-E59 HydrophobicContact CD-CG 4.1Å; K20-E59 WeakPolarHBondContact CD-OE1 3.2Å; K20-E59 WeakPolarHBondContact CE-OE1 3.1Å; K20-E59 IonicContact NZ-OE1 3.82Å; K20-E59 PolarHBondContact NZ-OE1 3.37Å; K20-E59 CarbonylContact O-C 3.37Å; K20-E59 VanDerWaalsContact O-CA 3.26Å; K20-E59 WeakPolarHBondContact O-CA 3.14Å; K20-V60 PolarHBondContact O-N 3.41Å
21	L	95.9	Very high	88.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121	172.5	-54	-176.6	0	0	0	108.2	V19 F29 V31 I42 V60 F62 L70 F77	V19-L21 HydrophobicContact CG2-CD2 4.14Å; L21-F29 HydrophobicContact CB-CB 4.27Å; L21-F29 PolarHBondContact N-O 2.99Å; L21-F29 PolarHBondContact O-N 2.99Å; L21-V31 HydrophobicContact CD1-CG2 3.77Å; L21-V31 HydrophobicContact CG-CG2 3.93Å; L21-I42 HydrophobicContact CD1-CD1 4.05Å; L21-I42 HydrophobicContact CD2-CD1 4.05Å; L21-V60 HydrophobicContact CD2-CB 3.83Å; L21-V60 HydrophobicContact CD2-CG2 4.15Å; L21-F62 HydrophobicContact CB-CE2 4.05Å; L21-F62 HydrophobicContact CD2-CE2 4.12Å; L21-F62 HydrophobicContact CG-CE2 4.44Å; L21-L70 HydrophobicContact CB-CD2 4.13Å; L21-L70 HydrophobicContact CD1-CD1 4.45Å; L21-F77 HydrophobicContact CD1-CE2 4.12Å
22	I	97.3	Very high	89.8	Confident	22 Å²	22	58 Å²	58	11%	0.113	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.1	-175.1	-50.2	174	0	0	0	108.1	K20 H27 E28 V60 F62	K20-I22 HydrophobicContact CD-CD1 3.92Å; K20-I22 HydrophobicContact CD-CG1 3.88Å; K20-I22 HydrophobicContact CG-CD1 4.44Å; K20-I22 HydrophobicContact CG-CG1 3.9Å; I22-H27 WeakPolarHBondContact CA-O 3.32Å; I22-E28 HydrophobicContact CG1-CG 4.39Å; I22-V60 PolarHBondContact N-O 3.5Å; I22-F62 PolarHBondContact O-N 2.91Å
23	S	98.1	Very high	90.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	29%	0.285	C	S	.	.			trans	-77	169.4	177.1	62.9	0	0	0	0	112.7	D25 G26 H27 F62 I65	S23-D25 WeakPolarHBondContact CB-OD1 3.34Å; S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 PolarHBondContact OG-OD1 2.81Å; S23-G26 PolarHBondContact O-N 3.35Å; S23-H27 PolarHBondContact N-O 3.08Å; S23-H27 WeakPolarHBondContact OG-CB 3.39Å; S23-H27 PolarHBondContact OG-N 3.14Å; S23-H27 PolarHBondContact OG-O 2.92Å; S23-F62 CarbonylContact C-O 3.51Å; S23-I65 WeakPolarHBondContact CA-O 3.38Å; S23-I65 WeakPolarHBondContact CB-O 3.39Å
24	S	97.9	Very high	92	Very high	57 Å²	57	57.8 Å²	57.8	40%	0.399	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.3	-178.8	62.5	0	0	0	0	113.7	F62 R63 I65 P66	S24-F62 WeakPolarHBondContact CA-O 3.16Å; S24-F62 WeakPolarHBondContact CB-O 3.37Å; S24-F62 PolarHBondContact N-O 3.28Å; S24-R63 WeakPolarHBondContact CB-O 3.26Å; S24-I65 PolarHBondContact N-O 2.85Å; S24-I65 PolarHBondContact OG-O 3.36Å; S24-P66 VanDerWaalsContact OG-CA 3.28Å; S24-P66 WeakPolarHBondContact OG-CA 3.32Å
25	D	97.8	Very high	93.3	Very high	78 Å²	78	55.8 Å²	55.8	42%	0.417	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	12.2	174.7	64.2	-35	0	0	0	113.2	S23 H27 S67	S23-D25 WeakPolarHBondContact CB-OD1 3.34Å; S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 PolarHBondContact OG-OD1 2.81Å; D25-H27 IonicContact OD1-ND1 3.77Å; D25-H27 IonicContact OD2-CE1 3.4Å; D25-H27 PolarHBondContact OD2-CE1 3.39Å; D25-H27 IonicContact OD2-ND1 2.99Å; D25-H27 PolarHBondContact OD2-ND1 3.39Å; D25-S67 VanDerWaalsContact OD1-CB 3.23Å; D25-S67 WeakPolarHBondContact OD1-CB 3.4Å; D25-S67 PolarHBondContact OD1-N 3.14Å; D25-S67 PolarHBondContact OD1-OG 3.08Å; D25-S67 WeakPolarHBondContact OD2-CB 3.48Å; D25-S67 PolarHBondContact OD2-OG 3.35Å
26	G	96.8	Very high	94.4	Very high	49 Å²	49	48.6 Å²	48.6	51%	0.505	25%	0.248	S	C	.	.			trans	82.8	10.3	169.5	0	0	0	0	0	115.8	S23	S23-G26 PolarHBondContact O-N 3.35Å
27	H	98.2	Very high	94.9	Very high	103 Å²	103	51.6 Å²	51.6	48%	0.477	26%	0.263	S	S	.	.			trans	-74.6	132.3	173.2	-72.6	77	0	0	0	110.5	I22 S23 D25 F29	I22-H27 WeakPolarHBondContact CA-O 3.32Å; S23-H27 PolarHBondContact N-O 3.08Å; S23-H27 WeakPolarHBondContact OG-CB 3.39Å; S23-H27 PolarHBondContact OG-N 3.14Å; S23-H27 PolarHBondContact OG-O 2.92Å; D25-H27 IonicContact OD1-ND1 3.77Å; D25-H27 IonicContact OD2-CE1 3.4Å; D25-H27 PolarHBondContact OD2-CE1 3.39Å; D25-H27 IonicContact OD2-ND1 2.99Å; D25-H27 PolarHBondContact OD2-ND1 3.39Å; H27-F29 HydrophobicContact CB-CD2 4.44Å; H27-F29 HydrophobicContact CB-CE2 3.69Å; H27-F29 HydrophobicContact CB-CZ 4.17Å
28	E	97.6	Very high	95.2	Very high	114 Å²	114	49.4 Å²	49.4	53%	0.533	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.9	177.2	-57.1	-169.6	173.4	0	0	110.7	K20 I22	K20-E28 HydrophobicContact CD-CB 4.25Å; K20-E28 HydrophobicContact CD-CG 4.09Å; K20-E28 WeakPolarHBondContact CD-OE2 3.41Å; K20-E28 WeakPolarHBondContact CE-OE2 3.31Å; K20-E28 HydrophobicContact CG-CB 4.15Å; K20-E28 HydrophobicContact CG-CG 4.47Å; K20-E28 IonicContact NZ-OE1 2.92Å; K20-E28 IonicContact NZ-OE2 3.93Å; K20-E28 PolarHBondContact NZ-OE2 3.29Å; K20-E28 VanDerWaalsContact NZ-OE2 3.15Å; I22-E28 HydrophobicContact CG1-CG 4.39Å
29	F	97.3	Very high	95.5	Very high	42 Å²	42	47.2 Å²	47.2	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.9	176.2	-61.9	-96.2	0	0	0	109.4	K20 L21 H27 L70	K20-F29 WeakPolarHBondContact CA-O 3.34Å; L21-F29 HydrophobicContact CB-CB 4.27Å; L21-F29 PolarHBondContact N-O 2.99Å; L21-F29 PolarHBondContact O-N 2.99Å; H27-F29 HydrophobicContact CB-CD2 4.44Å; H27-F29 HydrophobicContact CB-CE2 3.69Å; H27-F29 HydrophobicContact CB-CZ 4.17Å; F29-L70 HydrophobicContact CD2-CB 4.42Å; F29-L70 HydrophobicContact CD2-CD2 3.53Å; F29-L70 HydrophobicContact CD2-CG 3.86Å; F29-L70 HydrophobicContact CE2-CB 4.02Å; F29-L70 HydrophobicContact CE2-CD2 3.78Å; F29-L70 HydrophobicContact CE2-CG 3.98Å; F29-L70 HydrophobicContact CG-CD2 4.43Å; F29-L70 HydrophobicContact CG-CG 4.43Å; F29-L70 HydrophobicContact CZ-CB 4.41Å
30	I	95.4	Very high	95.6	Very high	91 Å²	91	48.5 Å²	48.5	47%	0.467	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.1	175.2	-53.2	-58.4	0	0	0	108.8	Y18 K20	Y18-I30 HydrophobicContact CD1-CG2 3.87Å; Y18-I30 HydrophobicContact CG-CG2 4.03Å; K20-I30 HydrophobicContact CB-CD1 3.78Å; K20-I30 HydrophobicContact CD-CD1 4.5Å; K20-I30 HydrophobicContact CG-CD1 3.77Å
31	V	94.4	Very high	95.5	Very high	19 Å²	19	48.6 Å²	48.6	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.1	-177.4	-62.5	0	0	0	0	110.4	Y18 V19 L21 R33 A36 C74	Y18-V31 CarbonylContact C-O 3.55Å; Y18-V31 VanDerWaalsContact CA-O 3.26Å; Y18-V31 WeakPolarHBondContact CA-O 3.47Å; V19-V31 HydrophobicContact CG2-CG2 3.53Å; V19-V31 PolarHBondContact N-O 2.83Å; V19-V31 PolarHBondContact O-N 2.83Å; L21-V31 HydrophobicContact CD1-CG2 3.77Å; L21-V31 HydrophobicContact CG-CG2 3.93Å; V31-R33 PolarHBondContact O-N 2.87Å; V31-A36 HydrophobicContact CG2-CB 3.91Å; V31-C74 HydrophobicContact CG1-CB 4.04Å
32	K	93.5	Very high	95.3	Very high	74 Å²	74	48.6 Å²	48.6	32%	0.322	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135.5	174	-71.1	-175.2	170.8	-171.8	0	109.8	M17 Y18 E34 H35 A36	M17-K32 WeakPolarHBondContact O-CA 3.5Å; Y18-K32 HydrophobicContact CD1-CG 4.19Å; Y18-K32 HydrophobicContact CE1-CG 3.72Å; K32-E34 HydrophobicContact CB-CG 4.22Å; K32-E34 VanDerWaalsContact CD-OE1 3.26Å; K32-E34 WeakPolarHBondContact CD-OE1 3.49Å; K32-E34 IonicContact NZ-OE1 3.26Å; K32-E34 PolarHBondContact NZ-OE1 2.8Å; K32-E34 PolarHBondContact O-N 2.8Å; K32-H35 HydrophobicContact CB-CB 4.43Å; K32-H35 WeakPolarHBondContact O-CB 3.26Å; K32-H35 PolarHBondContact O-N 2.77Å; K32-A36 PolarHBondContact O-N 3.21Å; K32-A36 VanDerWaalsContact O-N 3.13Å
33	R	92.1	Very high	95	Very high	67 Å²	67	53.2 Å²	53.2	25%	0.253	28%	0.281	S	S	.	.	H	α-helix	trans	-53.1	-45.9	178.5	-171.1	175.6	-169.3	-154.9	12.1	111.2	P14 A16 M17 V19 V31 H35 A36 L37	P14-R33 PolarHBondContact O-NH1 2.72Å; A16-R33 WeakPolarHBondContact O-CD 3.28Å; M17-R33 PolarHBondContact O-N 2.94Å; V19-R33 HydrophobicContact CG1-CB 3.92Å; V19-R33 HydrophobicContact CG1-CG 3.82Å; V31-R33 PolarHBondContact O-N 2.87Å; R33-H35 PolarHBondContact O-N 3.42Å; R33-H35 VanDerWaalsContact O-N 3.13Å; R33-A36 PolarHBondContact O-N 3.37Å; R33-A36 VanDerWaalsContact O-N 3.13Å; R33-L37 HydrophobicContact CG-CD1 4.4Å; R33-L37 HydrophobicContact CG-CG 4.48Å; R33-L37 VanDerWaalsContact O-CG 3.3Å; R33-L37 WeakPolarHBondContact O-CG 3.32Å; R33-L37 PolarHBondContact O-N 3.21Å
34	E	92.4	Very high	94.6	Very high	113 Å²	113	56.2 Å²	56.2	53%	0.528	31%	0.306	S	S	.	.	H	α-helix	trans	-57.6	-30.2	179.4	81.8	-170.6	158.2	0	0	113.4	K32	K32-E34 HydrophobicContact CB-CG 4.22Å; K32-E34 VanDerWaalsContact CD-OE1 3.26Å; K32-E34 WeakPolarHBondContact CD-OE1 3.49Å; K32-E34 IonicContact NZ-OE1 3.26Å; K32-E34 PolarHBondContact NZ-OE1 2.8Å; K32-E34 PolarHBondContact O-N 2.8Å
35	H	95.5	Very high	94.1	Very high	26 Å²	26	57.2 Å²	57.2	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-80.3	-43.7	177.9	-66	23.7	0	0	0	110.8	K32 R33 L37 T38 F77	K32-H35 HydrophobicContact CB-CB 4.43Å; K32-H35 WeakPolarHBondContact O-CB 3.26Å; K32-H35 PolarHBondContact O-N 2.77Å; R33-H35 PolarHBondContact O-N 3.42Å; R33-H35 VanDerWaalsContact O-N 3.13Å; H35-L37 PolarHBondContact O-N 3.02Å; H35-T38 WeakPolarHBondContact O-CB 3.25Å; H35-T38 PolarHBondContact O-N 3.03Å; H35-T38 PolarHBondContact O-OG1 3.26Å; H35-F77 HydrophobicContact CB-CB 4.07Å
36	A	94.6	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-30.1	179	0	0	0	0	0	112.9	V19 V31 K32 R33 T38 S39 I42	V19-A36 HydrophobicContact CG2-CB 3.51Å; V31-A36 HydrophobicContact CG2-CB 3.91Å; K32-A36 PolarHBondContact O-N 3.21Å; K32-A36 VanDerWaalsContact O-N 3.13Å; R33-A36 PolarHBondContact O-N 3.37Å; R33-A36 VanDerWaalsContact O-N 3.13Å; A36-T38 PolarHBondContact O-N 3.18Å; A36-T38 VanDerWaalsContact O-N 3.1Å; A36-S39 PolarHBondContact O-N 2.93Å; A36-S39 VanDerWaalsContact O-N 3.1Å; A36-I42 HydrophobicContact CB-CG2 4.04Å
37	L	92.6	Very high	92.6	Very high	70 Å²	70	55 Å²	55	37%	0.366	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-2.8	174.8	-66.9	178.4	0	0	0	114.4	R33 H35 S39 K43 L46	R33-L37 HydrophobicContact CG-CD1 4.4Å; R33-L37 HydrophobicContact CG-CG 4.48Å; R33-L37 VanDerWaalsContact O-CG 3.3Å; R33-L37 WeakPolarHBondContact O-CG 3.32Å; R33-L37 PolarHBondContact O-N 3.21Å; H35-L37 PolarHBondContact O-N 3.02Å; L37-S39 PolarHBondContact O-N 3.31Å; L37-K43 HydrophobicContact CD2-CB 3.78Å; L37-K43 HydrophobicContact CD2-CD 4.47Å; L37-K43 HydrophobicContact CD2-CG 3.87Å; L37-L46 HydrophobicContact CD2-CD1 4.47Å
38	T	95.3	Very high	91.1	Very high	36 Å²	36	51 Å²	51	22%	0.221	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.1	165.5	-55.6	0	0	0	0	111.4	H35 A36 F77 K80 C112	H35-T38 WeakPolarHBondContact O-CB 3.25Å; H35-T38 PolarHBondContact O-N 3.03Å; H35-T38 PolarHBondContact O-OG1 3.26Å; A36-T38 PolarHBondContact O-N 3.18Å; A36-T38 VanDerWaalsContact O-N 3.1Å; T38-F77 HydrophobicContact CG2-CD1 4.07Å; T38-K80 HydrophobicContact CG2-CB 4.21Å; T38-K80 HydrophobicContact CG2-CG 3.79Å; T38-C112 HydrophobicContact CG2-CB 4.49Å
39	S	96.3	Very high	89.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-86.7	125	176.1	163.7	0	0	0	0	111.2	A36 L37 T41 I42 K43 L110	A36-S39 PolarHBondContact O-N 2.93Å; A36-S39 VanDerWaalsContact O-N 3.1Å; L37-S39 PolarHBondContact O-N 3.31Å; S39-T41 VanDerWaalsContact C-N 3.3Å; S39-T41 PolarHBondContact O-N 3.33Å; S39-T41 PolarHBondContact OG-N 2.71Å; S39-I42 PolarHBondContact O-N 2.85Å; S39-I42 WeakPolarHBondContact OG-CG1 3.3Å; S39-I42 PolarHBondContact OG-N 3.38Å; S39-K43 WeakPolarHBondContact O-CB 3.31Å; S39-K43 PolarHBondContact O-N 3.48Å; S39-L110 WeakPolarHBondContact CA-O 3.48Å; S39-L110 VanDerWaalsContact CB-O 3.31Å; S39-L110 WeakPolarHBondContact CB-O 3.18Å; S39-L110 PolarHBondContact OG-O 3.03Å
40	G	93.6	Very high	87	Confident	27 Å²	27	53.6 Å²	53.6	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-41.2	173.5	0	0	0	0	0	112.1	K43 A44 L110 D111	G40-K43 PolarHBondContact O-N 2.84Å; G40-A44 WeakPolarHBondContact O-CB 3.31Å; G40-A44 PolarHBondContact O-N 3.34Å; G40-L110 PolarHBondContact N-O 3.26Å; G40-D111 PolarHBondContact N-O 3.1Å
41	T	92.9	Very high	84.9	Confident	31 Å²	31	52.3 Å²	52.3	19%	0.19	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-47.6	178.7	-59	0	0	0	0	112.2	S39 K43 A44 M45 F109 L110	S39-T41 VanDerWaalsContact C-N 3.3Å; S39-T41 PolarHBondContact O-N 3.33Å; S39-T41 PolarHBondContact OG-N 2.71Å; T41-K43 VanDerWaalsContact C-N 3.32Å; T41-K43 PolarHBondContact O-N 3.25Å; T41-A44 PolarHBondContact O-N 3.01Å; T41-M45 HydrophobicContact CG2-CE 3.78Å; T41-M45 HydrophobicContact CG2-SD 4.17Å; T41-M45 WeakPolarHBondContact O-CB 3.43Å; T41-M45 VanDerWaalsContact O-CG 3.31Å; T41-M45 WeakPolarHBondContact O-CG 3.47Å; T41-M45 PolarHBondContact O-N 3.45Å; T41-F109 WeakPolarHBondContact CB-O 3.31Å; T41-F109 HydrophobicContact CG2-CE1 4.08Å; T41-F109 HydrophobicContact CG2-CZ 4.11Å; T41-F109 PolarHBondContact OG1-O 2.61Å; T41-L110 PolarHBondContact N-O 3.14Å
42	I	92.8	Very high	82.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-43	176.7	-67.1	173.8	0	0	0	110.4	L21 A36 S39 A44 M45 L46 V60 F62 F77 L110	L21-I42 HydrophobicContact CD1-CD1 4.05Å; L21-I42 HydrophobicContact CD2-CD1 4.05Å; A36-I42 HydrophobicContact CB-CG2 4.04Å; S39-I42 PolarHBondContact O-N 2.85Å; S39-I42 WeakPolarHBondContact OG-CG1 3.3Å; S39-I42 PolarHBondContact OG-N 3.38Å; I42-A44 VanDerWaalsContact C-N 3.34Å; I42-A44 PolarHBondContact O-N 3.42Å; I42-M45 PolarHBondContact O-N 2.89Å; I42-L46 HydrophobicContact CG2-CD1 3.66Å; I42-L46 HydrophobicContact CG2-CG 4.19Å; I42-L46 WeakPolarHBondContact O-CB 3.5Å; I42-L46 VanDerWaalsContact O-CG 3.31Å; I42-L46 WeakPolarHBondContact O-CG 3.25Å; I42-L46 PolarHBondContact O-N 3.14Å; I42-V60 HydrophobicContact CG2-CG2 4.34Å; I42-F62 HydrophobicContact CD1-CZ 3.96Å; I42-F62 HydrophobicContact CG1-CZ 3.86Å; I42-F77 HydrophobicContact CD1-CE2 3.75Å; I42-F77 HydrophobicContact CD1-CZ 3.72Å; I42-L110 HydrophobicContact CD1-CD2 4.23Å; I42-L110 HydrophobicContact CG1-CD2 4.1Å
43	K	91	Very high	80.6	Confident	118 Å²	118	59.8 Å²	59.8	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-45.8	176.5	177.1	174.9	-179.1	-177.5	0	112.1	L37 S39 G40 T41 L46 S47	L37-K43 HydrophobicContact CD2-CB 3.78Å; L37-K43 HydrophobicContact CD2-CD 4.47Å; L37-K43 HydrophobicContact CD2-CG 3.87Å; S39-K43 WeakPolarHBondContact O-CB 3.31Å; S39-K43 PolarHBondContact O-N 3.48Å; G40-K43 PolarHBondContact O-N 2.84Å; T41-K43 VanDerWaalsContact C-N 3.32Å; T41-K43 PolarHBondContact O-N 3.25Å; K43-L46 PolarHBondContact O-N 3.43Å; K43-S47 VanDerWaalsContact O-CB 3.31Å; K43-S47 WeakPolarHBondContact O-CB 3.27Å; K43-S47 PolarHBondContact O-N 3.27Å; K43-S47 VanDerWaalsContact O-N 3.11Å; K43-S47 PolarHBondContact O-OG 3.46Å
44	A	88.9	Confident	78.5	Confident	65 Å²	65	65.8 Å²	65.8	54%	0.537	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.1	0	0	0	0	0	111.8	G40 T41 I42 L46 S47 G48	G40-A44 WeakPolarHBondContact O-CB 3.31Å; G40-A44 PolarHBondContact O-N 3.34Å; T41-A44 PolarHBondContact O-N 3.01Å; I42-A44 VanDerWaalsContact C-N 3.34Å; I42-A44 PolarHBondContact O-N 3.42Å; A44-L46 VanDerWaalsContact C-N 3.27Å; A44-L46 PolarHBondContact O-N 3.04Å; A44-S47 PolarHBondContact O-N 2.93Å; A44-G48 PolarHBondContact O-N 2.95Å
45	M	87.4	Confident	76.4	Confident	79 Å²	79	67.5 Å²	67.5	39%	0.389	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-25.2	176.9	-74	-178.4	175.1	0	0	113.7	T41 I42 Q51 V60 F109	T41-M45 HydrophobicContact CG2-CE 3.78Å; T41-M45 HydrophobicContact CG2-SD 4.17Å; T41-M45 WeakPolarHBondContact O-CB 3.43Å; T41-M45 VanDerWaalsContact O-CG 3.31Å; T41-M45 WeakPolarHBondContact O-CG 3.47Å; T41-M45 PolarHBondContact O-N 3.45Å; I42-M45 PolarHBondContact O-N 2.89Å; M45-Q51 VanDerWaalsContact O-CD 3.24Å; M45-Q51 PolarHBondContact O-NE2 3.31Å; M45-Q51 PolarHBondContact O-OE1 3.29Å; M45-V60 HydrophobicContact CB-CG2 4.45Å; M45-V60 HydrophobicContact SD-CG1 3.59Å; M45-V60 VanDerWaalsContact SD-CG1 3.59Å; M45-F109 HydrophobicContact CE-CZ 4.18Å
46	L	83.6	Confident	74.7	Confident	9 Å²	9	67.7 Å²	67.7	5%	0.047	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.5	175.1	-67.1	172.4	0	0	0	113.4	V19 L37 I42 K43 A44 Q51 V60	V19-L46 HydrophobicContact CG1-CD1 3.87Å; V19-L46 HydrophobicContact CG1-CD2 4.39Å; L37-L46 HydrophobicContact CD2-CD1 4.47Å; I42-L46 HydrophobicContact CG2-CD1 3.66Å; I42-L46 HydrophobicContact CG2-CG 4.19Å; I42-L46 WeakPolarHBondContact O-CB 3.5Å; I42-L46 VanDerWaalsContact O-CG 3.31Å; I42-L46 WeakPolarHBondContact O-CG 3.25Å; I42-L46 PolarHBondContact O-N 3.14Å; K43-L46 PolarHBondContact O-N 3.43Å; A44-L46 VanDerWaalsContact C-N 3.27Å; A44-L46 PolarHBondContact O-N 3.04Å; L46-Q51 PolarHBondContact O-OE1 3.16Å; L46-V60 HydrophobicContact CD2-CG2 4.06Å; L46-V60 HydrophobicContact CG-CG2 4.31Å
47	S	78.5	Confident	73.2	Confident	71 Å²	71	72.3 Å²	72.3	50%	0.497	42%	0.424	S	S	.	.	S	Bend	trans	-120.5	14.5	-176.5	-47.6	0	0	0	0	112.6	K43 A44	K43-S47 VanDerWaalsContact O-CB 3.31Å; K43-S47 WeakPolarHBondContact O-CB 3.27Å; K43-S47 PolarHBondContact O-N 3.27Å; K43-S47 VanDerWaalsContact O-N 3.11Å; K43-S47 PolarHBondContact O-OG 3.46Å; A44-S47 PolarHBondContact O-N 2.93Å
48	G	68.6	Low	72.8	Confident	19 Å²	19	69.1 Å²	69.1	20%	0.196	41%	0.408	C	S	.	.			trans	-72.2	152	-170.5	0	0	0	0	0	113.4	A44 G50 Q51	A44-G48 PolarHBondContact O-N 2.95Å; G48-G50 PolarHBondContact O-N 3.46Å; G48-G50 VanDerWaalsContact O-N 3.17Å; G48-Q51 PolarHBondContact O-N 2.87Å
49	P	54.3	Low	72.5	Confident	142 Å²	142	71.1 Å²	71.1	92%	0.922	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	119	177.5	24.9	-31.5	0	0	0	110.5
50	G	54.4	Low	72.3	Confident	68 Å²	68	71.4 Å²	71.4	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.8	-7.5	-175.8	0	0	0	0	0	114.9	G48	G48-G50 PolarHBondContact O-N 3.46Å; G48-G50 VanDerWaalsContact O-N 3.17Å
51	Q	51	Low	72.4	Confident	65 Å²	65	74.7 Å²	74.7	30%	0.304	43%	0.428	S	S	.	.			trans	-88.9	-1.4	177	-81	171.2	-25	0	0	114.9	M45 L46 G48 A53 E56	M45-Q51 VanDerWaalsContact O-CD 3.24Å; M45-Q51 PolarHBondContact O-NE2 3.31Å; M45-Q51 PolarHBondContact O-OE1 3.29Å; L46-Q51 PolarHBondContact O-OE1 3.16Å; G48-Q51 PolarHBondContact O-N 2.87Å; Q51-A53 PolarHBondContact O-N 3.2Å; Q51-E56 WeakPolarHBondContact O-CG 3.49Å
52	F	49.6	Very low	72.5	Confident	192 Å²	192	73.5 Å²	73.5	84%	0.842	42%	0.42	S	S	*	.			trans	-78.5	23.8	172.6	-67	-85.2	0	0	0	113.6
53	A	48.5	Very low	72.6	Confident	57 Å²	57	84.1 Å²	84.1	47%	0.471	46%	0.46	S	S	.	.	S	Bend	trans	-96.7	136.7	176.5	0	0	0	0	0	108.7	Q51 N55 E56	Q51-A53 PolarHBondContact O-N 3.2Å; A53-N55 PolarHBondContact O-N 2.83Å; A53-E56 PolarHBondContact O-N 3.35Å
54	E	46.2	Very low	72.8	Confident	193 Å²	193	86.5 Å²	86.5	90%	0.902	47%	0.473	S	S	*	.	S	Bend	trans	-55.1	-0.6	-173.5	-62.7	175.6	116.9	0	0	116.1
55	N	49	Very low	73.2	Confident	149 Å²	149	83.9 Å²	83.9	80%	0.797	45%	0.449	S	S	*	.			trans	-107.8	37.6	174.9	-74.2	-12.8	0	0	0	112.7	A53 T57	A53-N55 PolarHBondContact O-N 2.83Å; N55-T57 PolarHBondContact O-N 3.42Å
56	E	60.2	Low	73.7	Confident	31 Å²	31	81.4 Å²	81.4	15%	0.145	44%	0.44	C	S	.	.			trans	-57.1	99	177.1	-93.1	174.9	105.2	0	0	111.8	G13 P14 Q51 A53 N58	G13-E56 PolarHBondContact N-O 3.26Å; P14-E56 WeakPolarHBondContact CA-OE2 3.26Å; P14-E56 WeakPolarHBondContact CB-OE2 3.38Å; P14-E56 WeakPolarHBondContact CD-OE2 3.21Å; P14-E56 VanDerWaalsContact N-OE2 3.13Å; Q51-E56 WeakPolarHBondContact O-CG 3.49Å; A53-E56 PolarHBondContact O-N 3.35Å; E56-N58 PolarHBondContact O-N 2.94Å
57	T	63.8	Low	74.4	Confident	97 Å²	97	82 Å²	82	60%	0.595	45%	0.445	S	S	*	.	B	Isolated β-bridge	trans	-73.1	102.7	159.4	50.4	0	0	0	0	106.7	N55 E59	N55-T57 PolarHBondContact O-N 3.42Å; T57-E59 PolarHBondContact O-N 3.31Å
58	N	83.1	Confident	75.3	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.016	44%	0.438	C	S	.	.			trans	-71.4	53.8	172.3	-68	-84.5	0	0	0	110.8	C11 G13 A16 V19 K20 E56	C11-N58 VanDerWaalsContact O-CB 3.31Å; C11-N58 WeakPolarHBondContact O-CB 3.23Å; C11-N58 PolarHBondContact O-ND2 2.98Å; G13-N58 PolarHBondContact N-ND2 3.3Å; G13-N58 PolarHBondContact O-ND2 2.88Å; A16-N58 HydrophobicContact CB-CB 4.42Å; A16-N58 WeakPolarHBondContact CB-ND2 3.5Å; V19-N58 CarbonylContact C-O 3.53Å; V19-N58 WeakPolarHBondContact CA-O 3.15Å; V19-N58 HydrophobicContact CB-CB 4.39Å; V19-N58 HydrophobicContact CG1-CB 4.13Å; K20-N58 PolarHBondContact N-O 2.88Å; E56-N58 PolarHBondContact O-N 2.94Å
59	E	89.6	Confident	76.7	Confident	77 Å²	77	81.6 Å²	81.6	36%	0.36	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.8	-171.6	-51.9	-165.4	154.9	0	0	109.5	K20 T57	K20-E59 HydrophobicContact CB-CB 4.36Å; K20-E59 HydrophobicContact CB-CG 3.98Å; K20-E59 HydrophobicContact CD-CG 4.1Å; K20-E59 WeakPolarHBondContact CD-OE1 3.2Å; K20-E59 WeakPolarHBondContact CE-OE1 3.1Å; K20-E59 IonicContact NZ-OE1 3.82Å; K20-E59 PolarHBondContact NZ-OE1 3.37Å; K20-E59 CarbonylContact O-C 3.37Å; K20-E59 VanDerWaalsContact O-CA 3.26Å; K20-E59 WeakPolarHBondContact O-CA 3.14Å; T57-E59 PolarHBondContact O-N 3.31Å
60	V	92.2	Very high	78.8	Confident	6 Å²	6	74.9 Å²	74.9	4%	0.036	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.3	175.1	-179.4	0	0	0	0	108.1	K20 L21 I22 I42 M45 L46 F62	K20-V60 PolarHBondContact O-N 3.41Å; L21-V60 HydrophobicContact CD2-CB 3.83Å; L21-V60 HydrophobicContact CD2-CG2 4.15Å; I22-V60 PolarHBondContact N-O 3.5Å; I42-V60 HydrophobicContact CG2-CG2 4.34Å; M45-V60 HydrophobicContact CB-CG2 4.45Å; M45-V60 HydrophobicContact SD-CG1 3.59Å; M45-V60 VanDerWaalsContact SD-CG1 3.59Å; L46-V60 HydrophobicContact CD2-CG2 4.06Å; L46-V60 HydrophobicContact CG-CG2 4.31Å; V60-F62 HydrophobicContact CB-CE2 4.42Å; V60-F62 HydrophobicContact CB-CZ 4.41Å; V60-F62 HydrophobicContact CG1-CD1 4.42Å; V60-F62 HydrophobicContact CG1-CD2 4.47Å; V60-F62 HydrophobicContact CG1-CE1 3.81Å; V60-F62 HydrophobicContact CG1-CE2 3.88Å; V60-F62 HydrophobicContact CG1-CZ 3.52Å
61	N	94.6	Very high	80.8	Confident	97 Å²	97	73.3 Å²	73.3	52%	0.519	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.4	-179.5	-171	-61.4	0	0	0	110.8
62	F	95.5	Very high	83.1	Confident	5 Å²	5	72.1 Å²	72.1	2%	0.022	36%	0.358	C	S	.	.			trans	-99.9	105.5	177.3	-61.5	-70.5	0	0	0	110.7	L21 I22 S23 S24 I42 V60 E64 I65 L70 F109 L110	L21-F62 HydrophobicContact CB-CE2 4.05Å; L21-F62 HydrophobicContact CD2-CE2 4.12Å; L21-F62 HydrophobicContact CG-CE2 4.44Å; I22-F62 PolarHBondContact O-N 2.91Å; S23-F62 CarbonylContact C-O 3.51Å; S24-F62 WeakPolarHBondContact CA-O 3.16Å; S24-F62 WeakPolarHBondContact CB-O 3.37Å; S24-F62 PolarHBondContact N-O 3.28Å; I42-F62 HydrophobicContact CD1-CZ 3.96Å; I42-F62 HydrophobicContact CG1-CZ 3.86Å; V60-F62 HydrophobicContact CB-CE2 4.42Å; V60-F62 HydrophobicContact CB-CZ 4.41Å; V60-F62 HydrophobicContact CG1-CD1 4.42Å; V60-F62 HydrophobicContact CG1-CD2 4.47Å; V60-F62 HydrophobicContact CG1-CE1 3.81Å; V60-F62 HydrophobicContact CG1-CE2 3.88Å; V60-F62 HydrophobicContact CG1-CZ 3.52Å; F62-E64 VanDerWaalsContact C-N 3.28Å; F62-E64 PolarHBondContact O-N 3.32Å; F62-I65 HydrophobicContact CB-CB 3.83Å; F62-I65 HydrophobicContact CB-CD1 4.26Å; F62-I65 HydrophobicContact CB-CG1 4.05Å; F62-I65 HydrophobicContact CD1-CD1 3.7Å; F62-I65 HydrophobicContact CD1-CG1 4.33Å; F62-I65 HydrophobicContact CE1-CD1 4.18Å; F62-I65 HydrophobicContact CG-CB 4.34Å; F62-I65 HydrophobicContact CG-CD1 3.97Å; F62-I65 HydrophobicContact CG-CG1 4.32Å; F62-L70 HydrophobicContact CD2-CD1 4Å; F62-L70 HydrophobicContact CD2-CD2 3.89Å; F62-L70 HydrophobicContact CE2-CD1 3.91Å; F62-L70 HydrophobicContact CE2-CD2 4.38Å; F62-F109 AromaticContact CD1-CE1 3.94Å; F62-F109 HydrophobicContact CD1-CE1 3.94Å; F62-F109 AromaticContact CE1-CE1 3.93Å; F62-F109 HydrophobicContact CE1-CE1 3.93Å; F62-L110 HydrophobicContact CE1-CD2 3.58Å; F62-L110 HydrophobicContact CZ-CD2 3.76Å
63	R	95.1	Very high	85.4	Confident	223 Å²	223	63.1 Å²	63.1	84%	0.842	32%	0.319	S	S	*	.	S	Bend	trans	-72.6	-20.7	179.3	-63.2	-176.8	-179.6	176.6	0.4	114.1	S24	S24-R63 WeakPolarHBondContact CB-O 3.26Å
64	E	93.9	Very high	87.7	Confident	168 Å²	168	61.1 Å²	61.1	79%	0.785	30%	0.301	S	S	*	.	S	Bend	trans	-115.2	-10.1	-172.1	-62	-178.3	117.4	0	0	113.3	F62 P66	F62-E64 VanDerWaalsContact C-N 3.28Å; F62-E64 PolarHBondContact O-N 3.32Å; E64-P66 WeakPolarHBondContact O-CD 3.19Å
65	I	97.4	Very high	90.2	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.051	28%	0.281	C	S	.	.			trans	-103	110.2	-178.1	-51	-178.4	0	0	0	109.5	S23 S24 F62 V69 L70 A106 F109 L110	S23-I65 WeakPolarHBondContact CA-O 3.38Å; S23-I65 WeakPolarHBondContact CB-O 3.39Å; S24-I65 PolarHBondContact N-O 2.85Å; S24-I65 PolarHBondContact OG-O 3.36Å; F62-I65 HydrophobicContact CB-CB 3.83Å; F62-I65 HydrophobicContact CB-CD1 4.26Å; F62-I65 HydrophobicContact CB-CG1 4.05Å; F62-I65 HydrophobicContact CD1-CD1 3.7Å; F62-I65 HydrophobicContact CD1-CG1 4.33Å; F62-I65 HydrophobicContact CE1-CD1 4.18Å; F62-I65 HydrophobicContact CG-CB 4.34Å; F62-I65 HydrophobicContact CG-CD1 3.97Å; F62-I65 HydrophobicContact CG-CG1 4.32Å; I65-V69 HydrophobicContact CG2-CB 3.98Å; I65-V69 HydrophobicContact CG2-CG1 3.89Å; I65-L70 HydrophobicContact CG2-CB 3.96Å; I65-L70 HydrophobicContact CG2-CD1 4.47Å; I65-A106 HydrophobicContact CD1-CB 4.29Å; I65-F109 HydrophobicContact CD1-CD1 4.05Å; I65-F109 HydrophobicContact CD1-CE1 4.42Å; I65-L110 HydrophobicContact CD1-CD1 4.25Å; I65-L110 HydrophobicContact CD1-CD2 4.39Å; I65-L110 HydrophobicContact CD1-CG 4.3Å
66	P	97.9	Very high	92.5	Very high	28 Å²	28	52.1 Å²	52.1	18%	0.182	25%	0.254	C	S	.	.			trans	-74.6	161.8	177.7	31.6	-35.6	0	0	0	112.4	S24 E64 H68 V69 L70	S24-P66 VanDerWaalsContact OG-CA 3.28Å; S24-P66 WeakPolarHBondContact OG-CA 3.32Å; E64-P66 WeakPolarHBondContact O-CD 3.19Å; P66-H68 VanDerWaalsContact C-N 3.33Å; P66-H68 WeakPolarHBondContact CG-CE1 3.1Å; P66-H68 WeakPolarHBondContact CG-ND1 3.09Å; P66-H68 PolarHBondContact O-N 3.42Å; P66-V69 HydrophobicContact CG-CB 4.27Å; P66-V69 HydrophobicContact CG-CG2 3.82Å; P66-V69 PolarHBondContact O-N 3.39Å; P66-V69 VanDerWaalsContact O-N 3.14Å; P66-L70 PolarHBondContact O-N 2.84Å
67	S	98.3	Very high	94.3	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-56.2	-38.9	-176.3	59	0	0	0	0	114.2	D25 V69 L70 S71	D25-S67 VanDerWaalsContact OD1-CB 3.23Å; D25-S67 WeakPolarHBondContact OD1-CB 3.4Å; D25-S67 PolarHBondContact OD1-N 3.14Å; D25-S67 PolarHBondContact OD1-OG 3.08Å; D25-S67 WeakPolarHBondContact OD2-CB 3.48Å; D25-S67 PolarHBondContact OD2-OG 3.35Å; S67-V69 VanDerWaalsContact C-N 3.28Å; S67-V69 PolarHBondContact O-N 3.41Å; S67-L70 PolarHBondContact O-N 3.28Å; S67-S71 VanDerWaalsContact O-CB 3.26Å; S67-S71 WeakPolarHBondContact O-CB 2.97Å; S67-S71 PolarHBondContact O-N 3.34Å; S67-S71 PolarHBondContact O-OG 2.94Å
68	H	97.6	Very high	95.8	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.361	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-34.8	-179.7	69.9	-79.1	0	0	0	112	P66 S71 E102	P66-H68 VanDerWaalsContact C-N 3.33Å; P66-H68 WeakPolarHBondContact CG-CE1 3.1Å; P66-H68 WeakPolarHBondContact CG-ND1 3.09Å; P66-H68 PolarHBondContact O-N 3.42Å; H68-S71 PolarHBondContact O-OG 3.1Å; H68-E102 IonicContact CD2-OE1 3.08Å; H68-E102 IonicContact CE1-OE1 3.3Å; H68-E102 IonicContact CE1-OE2 3.66Å; H68-E102 PolarHBondContact CE1-OE2 3.13Å; H68-E102 VanDerWaalsContact CE1-OE2 3.3Å; H68-E102 VanDerWaalsContact NE2-CD 3.32Å; H68-E102 IonicContact NE2-OE1 2.72Å; H68-E102 PolarHBondContact NE2-OE1 2.97Å; H68-E102 IonicContact NE2-OE2 3.15Å; H68-E102 PolarHBondContact NE2-OE2 3.25Å; H68-E102 VanDerWaalsContact NE2-OE2 3.08Å
69	V	98.2	Very high	96.5	Very high	3 Å²	3	52 Å²	52	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-77.2	-48.6	174.5	-178.9	0	0	0	0	110.7	I65 P66 S67 S71 K72 V73 E102 L103 A106	I65-V69 HydrophobicContact CG2-CB 3.98Å; I65-V69 HydrophobicContact CG2-CG1 3.89Å; P66-V69 HydrophobicContact CG-CB 4.27Å; P66-V69 HydrophobicContact CG-CG2 3.82Å; P66-V69 PolarHBondContact O-N 3.39Å; P66-V69 VanDerWaalsContact O-N 3.14Å; S67-V69 VanDerWaalsContact C-N 3.28Å; S67-V69 PolarHBondContact O-N 3.41Å; V69-S71 PolarHBondContact O-N 2.89Å; V69-K72 PolarHBondContact O-N 3.1Å; V69-V73 HydrophobicContact CG1-CG2 4.45Å; V69-V73 PolarHBondContact O-N 3.06Å; V69-E102 HydrophobicContact CG2-CB 3.64Å; V69-E102 HydrophobicContact CG2-CG 4.47Å; V69-L103 HydrophobicContact CG1-CD1 4.14Å; V69-A106 HydrophobicContact CG1-CB 3.73Å
70	L	97.9	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-33.7	-177.4	-171.4	56.8	0	0	0	111.9	L21 F29 F62 I65 P66 S67 K72 V73 C74	L21-L70 HydrophobicContact CB-CD2 4.13Å; L21-L70 HydrophobicContact CD1-CD1 4.45Å; F29-L70 HydrophobicContact CD2-CB 4.42Å; F29-L70 HydrophobicContact CD2-CD2 3.53Å; F29-L70 HydrophobicContact CD2-CG 3.86Å; F29-L70 HydrophobicContact CE2-CB 4.02Å; F29-L70 HydrophobicContact CE2-CD2 3.78Å; F29-L70 HydrophobicContact CE2-CG 3.98Å; F29-L70 HydrophobicContact CG-CD2 4.43Å; F29-L70 HydrophobicContact CG-CG 4.43Å; F29-L70 HydrophobicContact CZ-CB 4.41Å; F62-L70 HydrophobicContact CD2-CD1 4Å; F62-L70 HydrophobicContact CD2-CD2 3.89Å; F62-L70 HydrophobicContact CE2-CD1 3.91Å; F62-L70 HydrophobicContact CE2-CD2 4.38Å; I65-L70 HydrophobicContact CG2-CB 3.96Å; I65-L70 HydrophobicContact CG2-CD1 4.47Å; P66-L70 PolarHBondContact O-N 2.84Å; S67-L70 PolarHBondContact O-N 3.28Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.29Å; L70-V73 HydrophobicContact CD1-CB 4.39Å; L70-V73 HydrophobicContact CD1-CG1 4.43Å; L70-V73 WeakPolarHBondContact O-CB 3.29Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-C74 PolarHBondContact O-N 2.6Å; L70-C74 PolarHBondContact O-SG 3.06Å
71	S	97.8	Very high	97	Very high	35 Å²	35	55 Å²	55	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-42.9	173.8	75.7	0	0	0	0	112	S67 H68 V69 C74 M75	S67-S71 VanDerWaalsContact O-CB 3.26Å; S67-S71 WeakPolarHBondContact O-CB 2.97Å; S67-S71 PolarHBondContact O-N 3.34Å; S67-S71 PolarHBondContact O-OG 2.94Å; H68-S71 PolarHBondContact O-OG 3.1Å; V69-S71 PolarHBondContact O-N 2.89Å; S71-C74 PolarHBondContact O-N 3.09Å; S71-M75 WeakPolarHBondContact O-CG 3.39Å; S71-M75 PolarHBondContact O-N 3.39Å; S71-M75 VanDerWaalsContact O-N 3.08Å
72	K	98.1	Very high	97	Very high	40 Å²	40	56.6 Å²	56.6	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-71.6	-36.3	178.2	-83.4	-77.9	179.5	-179.8	0	112.4	V69 L70 M75 Y76 F93 P94 I99 L103	V69-K72 PolarHBondContact O-N 3.1Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.29Å; K72-M75 HydrophobicContact CD-SD 4.04Å; K72-M75 PolarHBondContact O-N 3.44Å; K72-Y76 WeakPolarHBondContact O-CB 3.46Å; K72-Y76 PolarHBondContact O-N 3.22Å; K72-F93 HydrophobicContact CD-CE1 4.37Å; K72-F93 HydrophobicContact CD-CZ 4.22Å; K72-P94 PolarHBondContact NZ-O 2.93Å; K72-I99 HydrophobicContact CB-CD1 4.4Å; K72-I99 HydrophobicContact CD-CD1 4.23Å; K72-I99 HydrophobicContact CG-CD1 3.68Å; K72-L103 HydrophobicContact CB-CD1 4.18Å
73	V	97.9	Very high	97.1	Very high	4 Å²	4	59 Å²	59	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-46.3	170.6	170.7	0	0	0	0	110.9	V69 L70 M75 Y76 F77 L103 A106 L110	V69-V73 HydrophobicContact CG1-CG2 4.45Å; V69-V73 PolarHBondContact O-N 3.06Å; L70-V73 HydrophobicContact CD1-CB 4.39Å; L70-V73 HydrophobicContact CD1-CG1 4.43Å; L70-V73 WeakPolarHBondContact O-CB 3.29Å; L70-V73 PolarHBondContact O-N 3.2Å; V73-M75 VanDerWaalsContact C-N 3.34Å; V73-M75 PolarHBondContact O-N 3.4Å; V73-Y76 WeakPolarHBondContact O-CA 3.49Å; V73-Y76 WeakPolarHBondContact O-CB 3.31Å; V73-Y76 PolarHBondContact O-N 3.48Å; V73-Y76 VanDerWaalsContact O-N 3.09Å; V73-F77 HydrophobicContact CG1-CD1 4.47Å; V73-F77 HydrophobicContact CG1-CD2 4.43Å; V73-F77 HydrophobicContact CG1-CE1 3.79Å; V73-F77 HydrophobicContact CG1-CE2 3.73Å; V73-F77 HydrophobicContact CG1-CZ 3.36Å; V73-F77 WeakPolarHBondContact O-CG 3.48Å; V73-F77 PolarHBondContact O-N 3.27Å; V73-L103 HydrophobicContact CG2-CD1 3.76Å; V73-A106 HydrophobicContact CG2-CB 4.41Å; V73-L110 HydrophobicContact CB-CD1 4.39Å; V73-L110 HydrophobicContact CG1-CD1 3.49Å; V73-L110 VanDerWaalsContact CG1-CD1 3.49Å; V73-L110 HydrophobicContact CG2-CD1 4.03Å
74	C	97.8	Very high	97	Very high	14 Å²	14	51.6 Å²	51.6	10%	0.095	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-39.9	177.9	-65.5	0	0	0	0	112.3	V31 L70 S71 Y76 F77 T78	V31-C74 HydrophobicContact CG1-CB 4.04Å; L70-C74 PolarHBondContact O-N 2.6Å; L70-C74 PolarHBondContact O-SG 3.06Å; S71-C74 PolarHBondContact O-N 3.09Å; C74-Y76 VanDerWaalsContact C-N 3.33Å; C74-F77 PolarHBondContact O-N 3.23Å; C74-T78 PolarHBondContact O-N 3.4Å; C74-T78 PolarHBondContact O-OG1 3.11Å
75	M	97.7	Very high	97	Very high	98 Å²	98	51.6 Å²	51.6	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-43	172.2	-67	174	-168.5	0	0	111.2	S71 K72 V73 F77 T78 Y79 F93	S71-M75 WeakPolarHBondContact O-CG 3.39Å; S71-M75 PolarHBondContact O-N 3.39Å; S71-M75 VanDerWaalsContact O-N 3.08Å; K72-M75 HydrophobicContact CD-SD 4.04Å; K72-M75 PolarHBondContact O-N 3.44Å; V73-M75 VanDerWaalsContact C-N 3.34Å; V73-M75 PolarHBondContact O-N 3.4Å; M75-F77 PolarHBondContact O-N 3.01Å; M75-T78 PolarHBondContact O-N 3.42Å; M75-Y79 WeakPolarHBondContact O-CB 3.48Å; M75-Y79 PolarHBondContact O-N 2.92Å; M75-F93 HydrophobicContact CB-CE2 3.98Å; M75-F93 HydrophobicContact CB-CZ 4.05Å
76	Y	97.9	Very high	96.8	Very high	56 Å²	56	52.9 Å²	52.9	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-41.3	177.9	172	-109.7	0	0	0	112.1	K72 V73 C74 T78 Y79 K80 C112	K72-Y76 WeakPolarHBondContact O-CB 3.46Å; K72-Y76 PolarHBondContact O-N 3.22Å; V73-Y76 WeakPolarHBondContact O-CA 3.49Å; V73-Y76 WeakPolarHBondContact O-CB 3.31Å; V73-Y76 PolarHBondContact O-N 3.48Å; V73-Y76 VanDerWaalsContact O-N 3.09Å; C74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-T78 VanDerWaalsContact C-N 3.32Å; Y76-T78 PolarHBondContact O-N 3.47Å; Y76-Y79 HydrophobicContact CD2-CD1 4.24Å; Y76-Y79 WeakPolarHBondContact O-CB 3.31Å; Y76-Y79 PolarHBondContact O-N 3.38Å; Y76-K80 HydrophobicContact CE2-CB 4.35Å; Y76-K80 VanDerWaalsContact O-CB 3.29Å; Y76-K80 WeakPolarHBondContact O-CB 3.28Å; Y76-K80 PolarHBondContact O-N 3.17Å; Y76-C112 HydrophobicContact CE1-CB 4.26Å; Y76-C112 PolarHBondContact OH-OXT 3.37Å
77	F	97.8	Very high	96.6	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-46.1	175.9	-64.5	-23.4	0	0	0	112.2	L21 H35 T38 I42 V73 C74 M75 K80 V81	L21-F77 HydrophobicContact CD1-CE2 4.12Å; H35-F77 HydrophobicContact CB-CB 4.07Å; T38-F77 HydrophobicContact CG2-CD1 4.07Å; I42-F77 HydrophobicContact CD1-CE2 3.75Å; I42-F77 HydrophobicContact CD1-CZ 3.72Å; V73-F77 HydrophobicContact CG1-CD1 4.47Å; V73-F77 HydrophobicContact CG1-CD2 4.43Å; V73-F77 HydrophobicContact CG1-CE1 3.79Å; V73-F77 HydrophobicContact CG1-CE2 3.73Å; V73-F77 HydrophobicContact CG1-CZ 3.36Å; V73-F77 WeakPolarHBondContact O-CG 3.48Å; V73-F77 PolarHBondContact O-N 3.27Å; C74-F77 PolarHBondContact O-N 3.23Å; M75-F77 PolarHBondContact O-N 3.01Å; F77-K80 PolarHBondContact O-N 3.07Å; F77-V81 WeakPolarHBondContact O-CG2 3.47Å; F77-V81 PolarHBondContact O-N 2.9Å
78	T	96.3	Very high	96.4	Very high	72 Å²	72	59.9 Å²	59.9	44%	0.442	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177.2	-52.3	0	0	0	0	111.2	C74 M75 Y76 R82	C74-T78 PolarHBondContact O-N 3.4Å; C74-T78 PolarHBondContact O-OG1 3.11Å; M75-T78 PolarHBondContact O-N 3.42Å; Y76-T78 VanDerWaalsContact C-N 3.32Å; Y76-T78 PolarHBondContact O-N 3.47Å; T78-R82 WeakPolarHBondContact O-CB 3.24Å; T78-R82 PolarHBondContact O-N 3.2Å
79	Y	97.4	Very high	96.3	Very high	54 Å²	54	64.8 Å²	64.8	21%	0.212	34%	0.338	C	S	.	.	H	α-helix	trans	-58.2	-50.3	176.8	172.2	-91	0	0	0	111.5	M75 Y76 V81 R82 Y83 I90 P91 F93	M75-Y79 WeakPolarHBondContact O-CB 3.48Å; M75-Y79 PolarHBondContact O-N 2.92Å; Y76-Y79 HydrophobicContact CD2-CD1 4.24Å; Y76-Y79 WeakPolarHBondContact O-CB 3.31Å; Y76-Y79 PolarHBondContact O-N 3.38Å; Y79-V81 PolarHBondContact O-N 3.34Å; Y79-R82 PolarHBondContact O-N 3.18Å; Y79-Y83 AromaticContact CD2-CD2 3.46Å; Y79-Y83 HydrophobicContact CD2-CD2 3.46Å; Y79-Y83 VanDerWaalsContact CD2-CD2 3.46Å; Y79-Y83 AromaticContact CD2-CE2 3.53Å; Y79-Y83 HydrophobicContact CD2-CE2 3.53Å; Y79-Y83 AromaticContact CE2-CD2 3.56Å; Y79-Y83 HydrophobicContact CE2-CD2 3.56Å; Y79-Y83 AromaticContact CE2-CE2 3.74Å; Y79-Y83 HydrophobicContact CE2-CE2 3.74Å; Y79-Y83 AromaticContact CG-CD2 3.98Å; Y79-Y83 HydrophobicContact CG-CD2 3.98Å; Y79-Y83 HydrophobicContact CG-CE2 4.38Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.44Å; Y79-Y83 PolarHBondContact O-N 3.32Å; Y79-I90 HydrophobicContact CE2-CG2 4.3Å; Y79-I90 WeakPolarHBondContact OH-CG2 3.41Å; Y79-P91 HydrophobicContact CE2-CG 4.3Å; Y79-P91 WeakPolarHBondContact CE2-O 3.26Å; Y79-P91 PolarHBondContact OH-O 3.37Å; Y79-F93 HydrophobicContact CD1-CD2 4.27Å; Y79-F93 HydrophobicContact CD2-CB 4.47Å; Y79-F93 AromaticContact CD2-CD2 3.95Å; Y79-F93 HydrophobicContact CD2-CD2 3.95Å; Y79-F93 HydrophobicContact CE1-CB 4.31Å; Y79-F93 HydrophobicContact CE2-CB 4.16Å; Y79-F93 HydrophobicContact CE2-CD2 4.47Å; Y79-F93 AromaticContact CG-CD2 3.84Å; Y79-F93 HydrophobicContact CG-CD2 3.84Å; Y79-F93 HydrophobicContact CG-CE2 4.47Å
80	K	96	Very high	96.2	Very high	90 Å²	90	69.1 Å²	69.1	39%	0.391	36%	0.36	S	S	.	.	H	α-helix	trans	-58.7	-51.5	-179.6	-177.8	67	176	-158.9	0	110.9	T38 Y76 F77 R82 Y83 T84	T38-K80 HydrophobicContact CG2-CB 4.21Å; T38-K80 HydrophobicContact CG2-CG 3.79Å; Y76-K80 HydrophobicContact CE2-CB 4.35Å; Y76-K80 VanDerWaalsContact O-CB 3.29Å; Y76-K80 WeakPolarHBondContact O-CB 3.28Å; Y76-K80 PolarHBondContact O-N 3.17Å; F77-K80 PolarHBondContact O-N 3.07Å; K80-R82 PolarHBondContact O-N 3.35Å; K80-Y83 PolarHBondContact O-N 3.48Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.48Å; K80-T84 PolarHBondContact O-N 3.02Å; K80-T84 PolarHBondContact O-OG1 2.82Å
81	V	95.6	Very high	96.2	Very high	56 Å²	56	72 Å²	72	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-44.4	179.4	172.5	0	0	0	0	111.2	F77 Y79 Y83	F77-V81 WeakPolarHBondContact O-CG2 3.47Å; F77-V81 PolarHBondContact O-N 2.9Å; Y79-V81 PolarHBondContact O-N 3.34Å; V81-Y83 VanDerWaalsContact C-N 3.33Å; V81-Y83 PolarHBondContact O-N 3.4Å
82	R	95.4	Very high	96.2	Very high	131 Å²	131	78.7 Å²	78.7	49%	0.494	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-35.1	-177.4	177	57.1	-175	74.3	3.5	113.4	T78 Y79 K80 S86	T78-R82 WeakPolarHBondContact O-CB 3.24Å; T78-R82 PolarHBondContact O-N 3.2Å; Y79-R82 PolarHBondContact O-N 3.18Å; K80-R82 PolarHBondContact O-N 3.35Å; R82-S86 PolarHBondContact NH1-OG 2.98Å
83	Y	96.3	Very high	96.1	Very high	55 Å²	55	78.7 Å²	78.7	22%	0.216	41%	0.406	C	S	.	.	H	α-helix	trans	-103.4	-9.7	-175	-65.2	-67.3	0	0	0	114	Y79 K80 V81 N85 S86 I90 P91	Y79-Y83 AromaticContact CD2-CD2 3.46Å; Y79-Y83 HydrophobicContact CD2-CD2 3.46Å; Y79-Y83 VanDerWaalsContact CD2-CD2 3.46Å; Y79-Y83 AromaticContact CD2-CE2 3.53Å; Y79-Y83 HydrophobicContact CD2-CE2 3.53Å; Y79-Y83 AromaticContact CE2-CD2 3.56Å; Y79-Y83 HydrophobicContact CE2-CD2 3.56Å; Y79-Y83 AromaticContact CE2-CE2 3.74Å; Y79-Y83 HydrophobicContact CE2-CE2 3.74Å; Y79-Y83 AromaticContact CG-CD2 3.98Å; Y79-Y83 HydrophobicContact CG-CD2 3.98Å; Y79-Y83 HydrophobicContact CG-CE2 4.38Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.44Å; Y79-Y83 PolarHBondContact O-N 3.32Å; K80-Y83 PolarHBondContact O-N 3.48Å; V81-Y83 VanDerWaalsContact C-N 3.33Å; V81-Y83 PolarHBondContact O-N 3.4Å; Y83-N85 PolarHBondContact O-N 2.66Å; Y83-S86 PolarHBondContact O-N 3Å; Y83-I90 HydrophobicContact CD1-CG1 4.38Å; Y83-I90 HydrophobicContact CG-CG2 4.29Å; Y83-P91 VanDerWaalsContact CE1-CD 3.46Å; Y83-P91 HydrophobicContact CE1-CG 4.22Å; Y83-P91 HydrophobicContact CE2-CG 3.83Å; Y83-P91 WeakPolarHBondContact OH-CD 3.37Å; Y83-P91 VanDerWaalsContact OH-CG 3.3Å; Y83-P91 WeakPolarHBondContact OH-CG 3.3Å
84	T	94.1	Very high	96.1	Very high	68 Å²	68	82.6 Å²	82.6	42%	0.417	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	128.4	169.2	-63.5	0	0	0	0	109.8	K80 S86	K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.48Å; K80-T84 PolarHBondContact O-N 3.02Å; K80-T84 PolarHBondContact O-OG1 2.82Å; T84-S86 PolarHBondContact O-N 3.26Å; T84-S86 VanDerWaalsContact O-N 3.14Å
85	N	92.8	Very high	96	Very high	169 Å²	169	86 Å²	86	90%	0.904	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	17.5	-176.6	-54.5	-40.7	0	0	0	114.9	Y83	Y83-N85 PolarHBondContact O-N 2.66Å
86	S	93.5	Very high	95.9	Very high	37 Å²	37	83.3 Å²	83.3	26%	0.259	44%	0.442	S	S	.	.			trans	-84.7	139.3	175	-158.2	0	0	0	0	110.7	R82 Y83 T84 T88	R82-S86 PolarHBondContact NH1-OG 2.98Å; Y83-S86 PolarHBondContact O-N 3Å; T84-S86 PolarHBondContact O-N 3.26Å; T84-S86 VanDerWaalsContact O-N 3.14Å; S86-T88 VanDerWaalsContact C-N 3.33Å; S86-T88 PolarHBondContact OG-OG1 3.22Å
87	S	93.6	Very high	95.8	Very high	130 Å²	130	85.7 Å²	85.7	91%	0.909	46%	0.464	S	S	*	.			trans	-88.8	-0.6	171.9	54.8	0	0	0	0	113.1
88	T	95.6	Very high	95.7	Very high	66 Å²	66	92.6 Å²	92.6	41%	0.405	50%	0.496	S	S	.	.	S	Bend	trans	-78.4	155.9	177.1	63.6	0	0	0	0	110.9	S86 I90	S86-T88 VanDerWaalsContact C-N 3.33Å; S86-T88 PolarHBondContact OG-OG1 3.22Å; T88-I90 PolarHBondContact O-N 2.93Å
89	E	95.3	Very high	95.7	Very high	182 Å²	182	90.3 Å²	90.3	85%	0.85	48%	0.481	S	S	*	.			trans	-54.4	134.4	168.1	-172.6	173.7	-162.2	0	0	110.3	P91	E89-P91 WeakPolarHBondContact O-CD 3.16Å
90	I	96.6	Very high	95.6	Very high	94 Å²	94	89.7 Å²	89.7	48%	0.482	49%	0.487	S	S	.	.			trans	-92.6	113.4	-178.2	-59	177.8	0	0	0	107.1	Y79 Y83 T88	Y79-I90 HydrophobicContact CE2-CG2 4.3Å; Y79-I90 WeakPolarHBondContact OH-CG2 3.41Å; Y83-I90 HydrophobicContact CD1-CG1 4.38Å; Y83-I90 HydrophobicContact CG-CG2 4.29Å; T88-I90 PolarHBondContact O-N 2.93Å
91	P	96.9	Very high	95.7	Very high	59 Å²	59	91.9 Å²	91.9	38%	0.383	50%	0.502	S	S	.	.			trans	-70.7	156.8	179.5	30.3	-34.1	0	0	0	111	Y79 Y83 E89	Y79-P91 HydrophobicContact CE2-CG 4.3Å; Y79-P91 WeakPolarHBondContact CE2-O 3.26Å; Y79-P91 PolarHBondContact OH-O 3.37Å; Y83-P91 VanDerWaalsContact CE1-CD 3.46Å; Y83-P91 HydrophobicContact CE1-CG 4.22Å; Y83-P91 HydrophobicContact CE2-CG 3.83Å; Y83-P91 WeakPolarHBondContact OH-CD 3.37Å; Y83-P91 VanDerWaalsContact OH-CG 3.3Å; Y83-P91 WeakPolarHBondContact OH-CG 3.3Å; E89-P91 WeakPolarHBondContact O-CD 3.16Å
92	E	97.1	Very high	95.7	Very high	177 Å²	177	92.5 Å²	92.5	83%	0.827	50%	0.501	S	S	*	.			trans	-62.8	137.1	173.9	-170.2	176	-178.9	0	0	111.1	P94	E92-P94 VanDerWaalsContact O-CD 3.29Å; E92-P94 WeakPolarHBondContact O-CD 3.3Å
93	F	97.3	Very high	95.8	Very high	39 Å²	39	87.3 Å²	87.3	17%	0.171	48%	0.483	C	S	.	.			trans	-93.6	105	172.6	-173.5	-97.6	0	0	0	109.3	K72 M75 Y79 I95	K72-F93 HydrophobicContact CD-CE1 4.37Å; K72-F93 HydrophobicContact CD-CZ 4.22Å; M75-F93 HydrophobicContact CB-CE2 3.98Å; M75-F93 HydrophobicContact CB-CZ 4.05Å; Y79-F93 HydrophobicContact CD1-CD2 4.27Å; Y79-F93 HydrophobicContact CD2-CB 4.47Å; Y79-F93 AromaticContact CD2-CD2 3.95Å; Y79-F93 HydrophobicContact CD2-CD2 3.95Å; Y79-F93 HydrophobicContact CE1-CB 4.31Å; Y79-F93 HydrophobicContact CE2-CB 4.16Å; Y79-F93 HydrophobicContact CE2-CD2 4.47Å; Y79-F93 AromaticContact CG-CD2 3.84Å; Y79-F93 HydrophobicContact CG-CD2 3.84Å; Y79-F93 HydrophobicContact CG-CE2 4.47Å; F93-I95 HydrophobicContact CD1-CD1 4.19Å; F93-I95 HydrophobicContact CD1-CG1 3.79Å; F93-I95 HydrophobicContact CE1-CG1 4.09Å; F93-I95 PolarHBondContact O-N 3.13Å
94	P	96.3	Very high	95.8	Very high	86 Å²	86	90.3 Å²	90.3	56%	0.558	50%	0.502	S	S	*	.			trans	-71.8	121.8	-171.9	27.8	-34.5	0	0	0	111.2	K72 E92	K72-P94 PolarHBondContact NZ-O 2.93Å; E92-P94 VanDerWaalsContact O-CD 3.29Å; E92-P94 WeakPolarHBondContact O-CD 3.3Å
95	I	96.5	Very high	95.9	Very high	86 Å²	86	93.2 Å²	93.2	44%	0.441	51%	0.513	S	S	.	.			trans	-116	119.4	174.4	-59.3	172.8	0	0	0	107.6	F93 I99 A100 L103	F93-I95 HydrophobicContact CD1-CD1 4.19Å; F93-I95 HydrophobicContact CD1-CG1 3.79Å; F93-I95 HydrophobicContact CE1-CG1 4.09Å; F93-I95 PolarHBondContact O-N 3.13Å; I95-I99 HydrophobicContact CG2-CG1 4.25Å; I95-A100 HydrophobicContact CG2-CB 4.09Å; I95-L103 HydrophobicContact CD1-CD2 4.07Å; I95-L103 HydrophobicContact CG1-CD2 4.18Å; I95-L103 HydrophobicContact CG2-CD2 4.14Å
96	A	95.6	Very high	96.1	Very high	42 Å²	42	85.4 Å²	85.4	35%	0.347	47%	0.472	S	S	.	.			trans	-71.6	137.6	176.1	0	0	0	0	0	109.3	E98 I99 A100	A96-E98 VanDerWaalsContact CB-OE2 3.32Å; A96-E98 WeakPolarHBondContact CB-OE2 3.37Å; A96-E98 PolarHBondContact O-N 3.13Å; A96-E98 VanDerWaalsContact O-N 3.1Å; A96-I99 HydrophobicContact CB-CG1 4.19Å; A96-I99 VanDerWaalsContact O-CG1 3.25Å; A96-I99 WeakPolarHBondContact O-CG1 3.03Å; A96-I99 PolarHBondContact O-N 3Å; A96-I99 VanDerWaalsContact O-N 3.14Å; A96-A100 PolarHBondContact O-N 3.07Å
97	P	96.3	Very high	96.2	Very high	106 Å²	106	85.1 Å²	85.1	69%	0.688	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-53.8	-32.8	-178.8	-27.5	35.3	0	0	0	113.6	I99 A100	P97-I99 VanDerWaalsContact C-N 3.28Å; P97-I99 PolarHBondContact O-N 3.45Å; P97-A100 PolarHBondContact O-N 2.85Å
98	E	95.7	Very high	96.3	Very high	145 Å²	145	85.4 Å²	85.4	68%	0.678	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-67.1	-28.1	-175.7	-57.6	72.8	-155.7	0	0	112.6	A96	A96-E98 VanDerWaalsContact CB-OE2 3.32Å; A96-E98 WeakPolarHBondContact CB-OE2 3.37Å; A96-E98 PolarHBondContact O-N 3.13Å; A96-E98 VanDerWaalsContact O-N 3.1Å
99	I	95.7	Very high	96.3	Very high	25 Å²	25	86.3 Å²	86.3	13%	0.128	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-103.6	-5.5	-178	66.6	166.2	0	0	0	113	K72 I95 A96 P97 L101 E102 L103	K72-I99 HydrophobicContact CB-CD1 4.4Å; K72-I99 HydrophobicContact CD-CD1 4.23Å; K72-I99 HydrophobicContact CG-CD1 3.68Å; I95-I99 HydrophobicContact CG2-CG1 4.25Å; A96-I99 HydrophobicContact CB-CG1 4.19Å; A96-I99 VanDerWaalsContact O-CG1 3.25Å; A96-I99 WeakPolarHBondContact O-CG1 3.03Å; A96-I99 PolarHBondContact O-N 3Å; A96-I99 VanDerWaalsContact O-N 3.14Å; P97-I99 VanDerWaalsContact C-N 3.28Å; P97-I99 PolarHBondContact O-N 3.45Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 2.75Å; I99-E102 PolarHBondContact O-N 2.73Å; I99-L103 VanDerWaalsContact O-CB 3.3Å; I99-L103 WeakPolarHBondContact O-CB 3.29Å; I99-L103 PolarHBondContact O-N 3.04Å
100	A	96.4	Very high	96.3	Very high	41 Å²	41	77.6 Å²	77.6	34%	0.339	42%	0.421	S	S	.	.	H	α-helix	trans	-61.9	-40.5	-168.6	0	0	0	0	0	112.8	I95 A96 P97 L104	I95-A100 HydrophobicContact CG2-CB 4.09Å; A96-A100 PolarHBondContact O-N 3.07Å; P97-A100 PolarHBondContact O-N 2.85Å; A100-L104 WeakPolarHBondContact O-CB 3.35Å; A100-L104 PolarHBondContact O-N 2.76Å
101	L	96.8	Very high	96.2	Very high	136 Å²	136	78.7 Å²	78.7	71%	0.712	43%	0.428	S	S	*	.	H	α-helix	trans	-69.3	-43.5	178.7	-66.9	176.9	0	0	0	112	I99 L103 L104 M105	I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 2.75Å; L101-L103 VanDerWaalsContact C-N 3.34Å; L101-L104 PolarHBondContact O-N 2.83Å; L101-M105 WeakPolarHBondContact O-CG 3.48Å; L101-M105 PolarHBondContact O-N 3.02Å; L101-M105 VanDerWaalsContact O-N 3.14Å
102	E	96.5	Very high	95.9	Very high	68 Å²	68	78.4 Å²	78.4	32%	0.318	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-41.9	176.8	-63.6	-179.1	-97.7	0	0	111.4	H68 V69 I99 L104 M105 A106	H68-E102 IonicContact CD2-OE1 3.08Å; H68-E102 IonicContact CE1-OE1 3.3Å; H68-E102 IonicContact CE1-OE2 3.66Å; H68-E102 PolarHBondContact CE1-OE2 3.13Å; H68-E102 VanDerWaalsContact CE1-OE2 3.3Å; H68-E102 VanDerWaalsContact NE2-CD 3.32Å; H68-E102 IonicContact NE2-OE1 2.72Å; H68-E102 PolarHBondContact NE2-OE1 2.97Å; H68-E102 IonicContact NE2-OE2 3.15Å; H68-E102 PolarHBondContact NE2-OE2 3.25Å; H68-E102 VanDerWaalsContact NE2-OE2 3.08Å; V69-E102 HydrophobicContact CG2-CB 3.64Å; V69-E102 HydrophobicContact CG2-CG 4.47Å; I99-E102 PolarHBondContact O-N 2.73Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.45Å; E102-M105 HydrophobicContact CG-CE 4.39Å; E102-M105 PolarHBondContact O-N 2.94Å; E102-A106 WeakPolarHBondContact O-CB 3.49Å; E102-A106 PolarHBondContact O-N 3.1Å
103	L	96.7	Very high	95.9	Very high	23 Å²	23	73.5 Å²	73.5	12%	0.12	41%	0.406	C	S	.	.	H	α-helix	trans	-65.1	-36.3	177.8	-168.5	63.5	0	0	0	111.8	V69 K72 V73 I95 I99 L101 A106 A107	V69-L103 HydrophobicContact CG1-CD1 4.14Å; K72-L103 HydrophobicContact CB-CD1 4.18Å; V73-L103 HydrophobicContact CG2-CD1 3.76Å; I95-L103 HydrophobicContact CD1-CD2 4.07Å; I95-L103 HydrophobicContact CG1-CD2 4.18Å; I95-L103 HydrophobicContact CG2-CD2 4.14Å; I99-L103 VanDerWaalsContact O-CB 3.3Å; I99-L103 WeakPolarHBondContact O-CB 3.29Å; I99-L103 PolarHBondContact O-N 3.04Å; L101-L103 VanDerWaalsContact C-N 3.34Å; L103-A106 PolarHBondContact O-N 3.27Å; L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.21Å; L103-A107 PolarHBondContact O-N 3.44Å
104	L	96.8	Very high	95.8	Very high	117 Å²	117	75.3 Å²	75.3	61%	0.613	42%	0.419	S	S	*	.	H	α-helix	trans	-62.9	-44.1	173.7	177.6	63.6	0	0	0	112	A100 L101 E102 A107 N108	A100-L104 WeakPolarHBondContact O-CB 3.35Å; A100-L104 PolarHBondContact O-N 2.76Å; L101-L104 PolarHBondContact O-N 2.83Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 3.45Å; L104-A107 PolarHBondContact O-N 3.45Å; L104-N108 PolarHBondContact O-N 2.89Å; L104-N108 VanDerWaalsContact O-N 3.07Å
105	M	96.6	Very high	95.8	Very high	129 Å²	129	74.7 Å²	74.7	64%	0.635	41%	0.411	S	S	*	.	H	α-helix	trans	-64	-43.2	176.4	-67	-173.4	-66.2	0	0	111.5	L101 E102 N108 F109	L101-M105 WeakPolarHBondContact O-CG 3.48Å; L101-M105 PolarHBondContact O-N 3.02Å; L101-M105 VanDerWaalsContact O-N 3.14Å; E102-M105 HydrophobicContact CG-CE 4.39Å; E102-M105 PolarHBondContact O-N 2.94Å; M105-N108 PolarHBondContact O-N 2.98Å; M105-F109 PolarHBondContact O-N 3Å
106	A	96.9	Very high	95.7	Very high	6 Å²	6	74 Å²	74	5%	0.05	41%	0.409	C	S	.	.	H	α-helix	trans	-62.8	-42.9	175.8	0	0	0	0	0	111.9	I65 V69 V73 E102 L103 N108 F109 L110	I65-A106 HydrophobicContact CD1-CB 4.29Å; V69-A106 HydrophobicContact CG1-CB 3.73Å; V73-A106 HydrophobicContact CG2-CB 4.41Å; E102-A106 WeakPolarHBondContact O-CB 3.49Å; E102-A106 PolarHBondContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 3.27Å; A106-N108 PolarHBondContact O-N 3.33Å; A106-F109 PolarHBondContact O-N 3.38Å; A106-L110 VanDerWaalsContact O-CB 3.28Å; A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 VanDerWaalsContact O-CG 3.24Å; A106-L110 WeakPolarHBondContact O-CG 3.27Å; A106-L110 PolarHBondContact O-N 3.01Å
107	A	95.5	Very high	95.8	Very high	30 Å²	30	76 Å²	76	25%	0.248	41%	0.413	C	S	.	.	H	α-helix	trans	-60.6	-44.7	177.6	0	0	0	0	0	111.9	L103 L104 F109 L110 D111 C112	L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.21Å; L103-A107 PolarHBondContact O-N 3.44Å; L104-A107 PolarHBondContact O-N 3.45Å; A107-F109 PolarHBondContact O-N 3.39Å; A107-L110 PolarHBondContact O-N 3.48Å; A107-D111 PolarHBondContact O-N 3.3Å; A107-C112 PolarHBondContact O-N 3.47Å
108	N	95.6	Very high	95.7	Very high	137 Å²	137	74 Å²	74	73%	0.733	40%	0.395	S	S	*	.	H	α-helix	trans	-62.3	-42.4	175.4	180	83.5	0	0	0	112.2	L104 M105 A106	L104-N108 PolarHBondContact O-N 2.89Å; L104-N108 VanDerWaalsContact O-N 3.07Å; M105-N108 PolarHBondContact O-N 2.98Å; A106-N108 PolarHBondContact O-N 3.33Å
109	F	95	Very high	95.7	Very high	84 Å²	84	68.9 Å²	68.9	37%	0.368	37%	0.374	S	S	.	.	H	α-helix	trans	-66.6	-38.6	176.7	173.3	-99.4	0	0	0	112.7	T41 M45 F62 I65 M105 A106 A107 D111	T41-F109 WeakPolarHBondContact CB-O 3.31Å; T41-F109 HydrophobicContact CG2-CE1 4.08Å; T41-F109 HydrophobicContact CG2-CZ 4.11Å; T41-F109 PolarHBondContact OG1-O 2.61Å; M45-F109 HydrophobicContact CE-CZ 4.18Å; F62-F109 AromaticContact CD1-CE1 3.94Å; F62-F109 HydrophobicContact CD1-CE1 3.94Å; F62-F109 AromaticContact CE1-CE1 3.93Å; F62-F109 HydrophobicContact CE1-CE1 3.93Å; I65-F109 HydrophobicContact CD1-CD1 4.05Å; I65-F109 HydrophobicContact CD1-CE1 4.42Å; M105-F109 PolarHBondContact O-N 3Å; A106-F109 PolarHBondContact O-N 3.38Å; A107-F109 PolarHBondContact O-N 3.39Å; F109-D111 VanDerWaalsContact C-N 3.31Å
110	L	95.3	Very high	95.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-82.4	-8.3	-177.4	-69.3	173.7	0	0	0	113.5	S39 G40 T41 I42 F62 I65 V73 A106 A107	S39-L110 WeakPolarHBondContact CA-O 3.48Å; S39-L110 VanDerWaalsContact CB-O 3.31Å; S39-L110 WeakPolarHBondContact CB-O 3.18Å; S39-L110 PolarHBondContact OG-O 3.03Å; G40-L110 PolarHBondContact N-O 3.26Å; T41-L110 PolarHBondContact N-O 3.14Å; I42-L110 HydrophobicContact CD1-CD2 4.23Å; I42-L110 HydrophobicContact CG1-CD2 4.1Å; F62-L110 HydrophobicContact CE1-CD2 3.58Å; F62-L110 HydrophobicContact CZ-CD2 3.76Å; I65-L110 HydrophobicContact CD1-CD1 4.25Å; I65-L110 HydrophobicContact CD1-CD2 4.39Å; I65-L110 HydrophobicContact CD1-CG 4.3Å; V73-L110 HydrophobicContact CB-CD1 4.39Å; V73-L110 HydrophobicContact CG1-CD1 3.49Å; V73-L110 VanDerWaalsContact CG1-CD1 3.49Å; V73-L110 HydrophobicContact CG2-CD1 4.03Å; A106-L110 VanDerWaalsContact O-CB 3.28Å; A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 VanDerWaalsContact O-CG 3.24Å; A106-L110 WeakPolarHBondContact O-CG 3.27Å; A106-L110 PolarHBondContact O-N 3.01Å; A107-L110 PolarHBondContact O-N 3.48Å
111	D	95.6	Very high	95.7	Very high	117 Å²	117	74.9 Å²	74.9	63%	0.626	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	56.5	-177.6	-169.2	36.3	0	0	0	111.6	G40 A107 F109	G40-D111 PolarHBondContact N-O 3.1Å; A107-D111 PolarHBondContact O-N 3.3Å; F109-D111 VanDerWaalsContact C-N 3.31Å
112	C	90.8	Very high	95.6	Very high	52 Å²	52	69.4 Å²	69.4	35%	0.351	37%	0.369	S	S	.	.			trans	-152.4	0	-177	69.1	0	0	0	0	115.8	T38 Y76 A107	T38-C112 HydrophobicContact CG2-CB 4.49Å; Y76-C112 HydrophobicContact CE1-CB 4.26Å; Y76-C112 PolarHBondContact OH-OXT 3.37Å; A107-C112 PolarHBondContact O-N 3.47Å

Retrieved 112 of 112 residues in 135.6 ms (Link to these results)

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