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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 (A0A2K5ZZI2), UniProt , Accession A0A060YZI5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 96 aa.

						>A0A060YZI5_ONCMY|A0A060YZI5
MYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	87.6	Confident	96.1	Very high	147 Å²	147	60.3 Å²	60.3	72%	0.724	32%	0.319	S	S	*	.				0	138.7	0	-168.4	166	177	0	0	108.3	R17 N42	M1-R17 HydrophobicContact CB-CB 4.36Å; M1-R17 WeakPolarHBondContact O-CB 2.9Å; M1-R17 PolarHBondContact O-N 2.99Å; M1-N42 WeakPolarHBondContact CE-ND2 3.29Å; M1-N42 WeakPolarHBondContact CE-OD1 3.32Å
2	Y	92.7	Very high	96.3	Very high	136 Å²	136	63.5 Å²	63.5	53%	0.533	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	157.9	-179.3	-67.4	-89.2	0	0	0	110	I14 V15 K16	Y2-I14 HydrophobicContact CD1-CG2 3.93Å; Y2-I14 HydrophobicContact CG-CG2 4.09Å; Y2-V15 CarbonylContact C-O 3.56Å; Y2-V15 VanDerWaalsContact CA-O 3.28Å; Y2-V15 WeakPolarHBondContact CA-O 3.29Å; Y2-K16 HydrophobicContact CD1-CG 4.09Å; Y2-K16 HydrophobicContact CE1-CB 4.44Å; Y2-K16 HydrophobicContact CE1-CG 3.54Å
3	V	94.6	Very high	96.4	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.9	170.1	64.5	0	0	0	0	107.9	L5 V15 A20 L30 N42 V44	V3-L5 HydrophobicContact CG1-CD2 4.07Å; V3-L5 HydrophobicContact CG1-CG 4.39Å; V3-L5 HydrophobicContact CG2-CD2 4.13Å; V3-V15 HydrophobicContact CG1-CB 4.46Å; V3-V15 PolarHBondContact N-O 3.34Å; V3-V15 PolarHBondContact O-N 3.17Å; V3-A20 HydrophobicContact CG1-CB 3.42Å; V3-A20 VanDerWaalsContact CG1-CB 3.42Å; V3-L30 HydrophobicContact CG2-CD1 4.19Å; V3-L30 HydrophobicContact CG2-CD2 4.18Å; V3-N42 CarbonylContact C-O 3.37Å; V3-N42 WeakPolarHBondContact CA-O 3.35Å; V3-N42 VanDerWaalsContact CG2-O 3.24Å; V3-N42 WeakPolarHBondContact CG2-O 3.28Å; V3-V44 HydrophobicContact CG2-CG2 4.26Å
4	K	96.8	Very high	96.5	Very high	42 Å²	42	64 Å²	64	18%	0.183	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.8	171.6	-175.5	-170.3	-71.1	-177.3	0	109.1	I6 E12 F13 I14 N42 E43 V44	K4-I6 HydrophobicContact CD-CD1 3.89Å; K4-I6 HydrophobicContact CD-CG1 3.82Å; K4-I6 HydrophobicContact CG-CD1 4.45Å; K4-I6 HydrophobicContact CG-CG1 3.9Å; K4-E12 HydrophobicContact CD-CB 4.18Å; K4-E12 VanDerWaalsContact CD-CD 3.48Å; K4-E12 HydrophobicContact CD-CG 3.99Å; K4-E12 WeakPolarHBondContact CE-OE2 3.35Å; K4-E12 HydrophobicContact CG-CB 4.1Å; K4-E12 HydrophobicContact CG-CG 4.41Å; K4-E12 IonicContact NZ-OE1 2.99Å; K4-E12 PolarHBondContact NZ-OE1 2.8Å; K4-E12 IonicContact NZ-OE2 3.2Å; K4-E12 PolarHBondContact NZ-OE2 3.2Å; K4-F13 WeakPolarHBondContact CA-O 3.23Å; K4-I14 HydrophobicContact CB-CD1 3.87Å; K4-I14 HydrophobicContact CG-CD1 3.79Å; K4-N42 PolarHBondContact N-O 2.89Å; K4-E43 HydrophobicContact CB-CB 4.23Å; K4-E43 HydrophobicContact CB-CG 3.92Å; K4-E43 HydrophobicContact CD-CG 4.11Å; K4-E43 VanDerWaalsContact CD-OE1 3.32Å; K4-E43 WeakPolarHBondContact CD-OE1 3.43Å; K4-E43 WeakPolarHBondContact CE-OE1 3.42Å; K4-E43 IonicContact NZ-OE1 2.73Å; K4-E43 PolarHBondContact NZ-OE1 3.21Å; K4-E43 CarbonylContact O-C 3.49Å; K4-E43 VanDerWaalsContact O-CA 3.26Å; K4-E43 WeakPolarHBondContact O-CA 3.36Å; K4-V44 PolarHBondContact O-N 3.09Å
5	L	97.3	Very high	96.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.4	172.8	-56.7	-174.6	0	0	0	108.1	V3 F13 V15 I26 V44 F46 L54 F61	V3-L5 HydrophobicContact CG1-CD2 4.07Å; V3-L5 HydrophobicContact CG1-CG 4.39Å; V3-L5 HydrophobicContact CG2-CD2 4.13Å; L5-F13 HydrophobicContact CB-CB 4.31Å; L5-F13 PolarHBondContact N-O 3.09Å; L5-F13 PolarHBondContact O-N 2.73Å; L5-V15 HydrophobicContact CD1-CG2 4.03Å; L5-V15 HydrophobicContact CG-CG2 4.37Å; L5-I26 HydrophobicContact CD1-CD1 4.09Å; L5-I26 HydrophobicContact CD2-CD1 4.11Å; L5-V44 HydrophobicContact CD2-CB 3.87Å; L5-V44 HydrophobicContact CD2-CG2 4.22Å; L5-F46 HydrophobicContact CB-CE2 4.03Å; L5-F46 HydrophobicContact CD1-CE2 4.5Å; L5-F46 HydrophobicContact CD2-CE2 4.07Å; L5-F46 HydrophobicContact CD2-CZ 4.46Å; L5-F46 HydrophobicContact CG-CE2 4.41Å; L5-L54 HydrophobicContact CB-CD2 4.19Å; L5-F61 HydrophobicContact CD1-CE2 4Å
6	I	98	Very high	96.5	Very high	20 Å²	20	62.4 Å²	62.4	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.6	-175.3	-49.7	172.5	0	0	0	107.9	K4 H11 E12 E43 V44 N45 F46	K4-I6 HydrophobicContact CD-CD1 3.89Å; K4-I6 HydrophobicContact CD-CG1 3.82Å; K4-I6 HydrophobicContact CG-CD1 4.45Å; K4-I6 HydrophobicContact CG-CG1 3.9Å; I6-H11 WeakPolarHBondContact CA-O 3.32Å; I6-E12 HydrophobicContact CG1-CG 4.42Å; I6-E43 HydrophobicContact CD1-CB 4.44Å; I6-V44 PolarHBondContact N-O 2.91Å; I6-N45 HydrophobicContact CB-CB 4.46Å; I6-F46 PolarHBondContact O-N 3.01Å
7	S	98.4	Very high	96.3	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.014	31%	0.31	C	S	.	.			trans	-76.2	168.9	176.8	51.9	0	0	0	0	112.7	D9 G10 H11 F46 I49 S51	S7-D9 VanDerWaalsContact CB-OD1 3.26Å; S7-D9 WeakPolarHBondContact CB-OD1 3.39Å; S7-D9 PolarHBondContact O-N 2.97Å; S7-D9 PolarHBondContact OG-OD1 2.57Å; S7-G10 PolarHBondContact O-N 3.31Å; S7-H11 PolarHBondContact N-O 2.89Å; S7-H11 WeakPolarHBondContact OG-CA 3.17Å; S7-H11 VanDerWaalsContact OG-CB 3.29Å; S7-H11 WeakPolarHBondContact OG-CB 3.1Å; S7-H11 PolarHBondContact OG-N 3.36Å; S7-H11 PolarHBondContact OG-O 3.48Å; S7-F46 CarbonylContact C-O 3.53Å; S7-I49 WeakPolarHBondContact CA-O 3.49Å; S7-I49 WeakPolarHBondContact CB-O 3.33Å; S7-S51 PolarHBondContact OG-OG 2.89Å
8	S	98.2	Very high	96.2	Very high	59 Å²	59	64.5 Å²	64.5	41%	0.413	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.2	-178.8	61.6	0	0	0	0	113.6	G10 F46 R47 I49 P50	S8-G10 VanDerWaalsContact C-N 3.33Å; S8-F46 WeakPolarHBondContact CA-O 3.47Å; S8-F46 WeakPolarHBondContact CB-O 3.15Å; S8-F46 PolarHBondContact N-O 2.93Å; S8-R47 WeakPolarHBondContact CB-O 3.18Å; S8-I49 PolarHBondContact N-O 2.92Å; S8-I49 PolarHBondContact OG-O 2.9Å; S8-P50 WeakPolarHBondContact OG-CA 3.36Å
9	D	98	Very high	96.2	Very high	102 Å²	102	62.2 Å²	62.2	55%	0.545	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.9	173.6	55.6	-19.3	0	0	0	113.1	S7 H11 S51	S7-D9 VanDerWaalsContact CB-OD1 3.26Å; S7-D9 WeakPolarHBondContact CB-OD1 3.39Å; S7-D9 PolarHBondContact O-N 2.97Å; S7-D9 PolarHBondContact OG-OD1 2.57Å; D9-H11 PolarHBondContact O-N 2.98Å; D9-S51 WeakPolarHBondContact OD1-CB 3.22Å; D9-S51 PolarHBondContact OD1-N 2.87Å; D9-S51 PolarHBondContact OD1-OG 3.5Å; D9-S51 VanDerWaalsContact OD2-CB 3.29Å; D9-S51 WeakPolarHBondContact OD2-CB 3.49Å; D9-S51 PolarHBondContact OD2-OG 3.1Å
10	G	97.4	Very high	96.2	Very high	49 Å²	49	59.1 Å²	59.1	51%	0.505	30%	0.296	S	S	.	.			trans	83.9	4.5	168.1	0	0	0	0	0	115.5	S7 S8	S7-G10 PolarHBondContact O-N 3.31Å; S8-G10 VanDerWaalsContact C-N 3.33Å
11	H	98.4	Very high	96.1	Very high	104 Å²	104	59.4 Å²	59.4	48%	0.481	30%	0.299	S	S	.	.			trans	-71.8	136.2	173.8	-161.8	91.6	0	0	0	110.9	I6 S7 D9 F13 S51	I6-H11 WeakPolarHBondContact CA-O 3.32Å; S7-H11 PolarHBondContact N-O 2.89Å; S7-H11 WeakPolarHBondContact OG-CA 3.17Å; S7-H11 VanDerWaalsContact OG-CB 3.29Å; S7-H11 WeakPolarHBondContact OG-CB 3.1Å; S7-H11 PolarHBondContact OG-N 3.36Å; S7-H11 PolarHBondContact OG-O 3.48Å; D9-H11 PolarHBondContact O-N 2.98Å; H11-F13 HydrophobicContact CB-CE2 4.12Å; H11-F13 AromaticContact CD2-CD2 3.99Å; H11-F13 AromaticContact CD2-CE1 3.72Å; H11-F13 AromaticContact CD2-CE2 3.5Å; H11-F13 AromaticContact CD2-CZ 3.36Å; H11-F13 WeakPolarHBondContact CD2-CZ 3.32Å; H11-S51 WeakPolarHBondContact CB-OG 3.45Å
12	E	98.1	Very high	96.5	Very high	99 Å²	99	53.8 Å²	53.8	46%	0.463	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.4	-178.2	-55.6	-170.2	155.2	0	0	111.2	K4 I6	K4-E12 HydrophobicContact CD-CB 4.18Å; K4-E12 VanDerWaalsContact CD-CD 3.48Å; K4-E12 HydrophobicContact CD-CG 3.99Å; K4-E12 WeakPolarHBondContact CE-OE2 3.35Å; K4-E12 HydrophobicContact CG-CB 4.1Å; K4-E12 HydrophobicContact CG-CG 4.41Å; K4-E12 IonicContact NZ-OE1 2.99Å; K4-E12 PolarHBondContact NZ-OE1 2.8Å; K4-E12 IonicContact NZ-OE2 3.2Å; K4-E12 PolarHBondContact NZ-OE2 3.2Å; I6-E12 HydrophobicContact CG1-CG 4.42Å
13	F	98.3	Very high	96.7	Very high	27 Å²	27	47.3 Å²	47.3	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.9	174.7	-60.1	-93.9	0	0	0	109.6	K4 L5 H11 V15 S51 L54	K4-F13 WeakPolarHBondContact CA-O 3.23Å; L5-F13 HydrophobicContact CB-CB 4.31Å; L5-F13 PolarHBondContact N-O 3.09Å; L5-F13 PolarHBondContact O-N 2.73Å; H11-F13 HydrophobicContact CB-CE2 4.12Å; H11-F13 AromaticContact CD2-CD2 3.99Å; H11-F13 AromaticContact CD2-CE1 3.72Å; H11-F13 AromaticContact CD2-CE2 3.5Å; H11-F13 AromaticContact CD2-CZ 3.36Å; H11-F13 WeakPolarHBondContact CD2-CZ 3.32Å; F13-V15 HydrophobicContact CB-CG2 4.3Å; F13-S51 WeakPolarHBondContact CZ-O 3.4Å; F13-L54 HydrophobicContact CD2-CB 4.37Å; F13-L54 HydrophobicContact CD2-CD2 3.55Å; F13-L54 HydrophobicContact CD2-CG 3.8Å; F13-L54 HydrophobicContact CE2-CB 3.93Å; F13-L54 HydrophobicContact CE2-CD2 3.76Å; F13-L54 HydrophobicContact CE2-CG 3.88Å; F13-L54 HydrophobicContact CZ-CB 4.43Å
14	I	97.2	Very high	96.7	Very high	107 Å²	107	48.4 Å²	48.4	55%	0.549	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.3	177.1	-52.3	-57.7	0	0	0	109.2	Y2 K4	Y2-I14 HydrophobicContact CD1-CG2 3.93Å; Y2-I14 HydrophobicContact CG-CG2 4.09Å; K4-I14 HydrophobicContact CB-CD1 3.87Å; K4-I14 HydrophobicContact CG-CD1 3.79Å
15	V	96.6	Very high	96.6	Very high	13 Å²	13	48 Å²	48	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.9	-173.8	-170	0	0	0	0	109.8	Y2 V3 L5 F13 R17 H19 A20 C58	Y2-V15 CarbonylContact C-O 3.56Å; Y2-V15 VanDerWaalsContact CA-O 3.28Å; Y2-V15 WeakPolarHBondContact CA-O 3.29Å; V3-V15 HydrophobicContact CG1-CB 4.46Å; V3-V15 PolarHBondContact N-O 3.34Å; V3-V15 PolarHBondContact O-N 3.17Å; L5-V15 HydrophobicContact CD1-CG2 4.03Å; L5-V15 HydrophobicContact CG-CG2 4.37Å; F13-V15 HydrophobicContact CB-CG2 4.3Å; V15-R17 PolarHBondContact O-N 2.8Å; V15-H19 HydrophobicContact CG1-CB 4.01Å; V15-A20 HydrophobicContact CG1-CB 4.5Å; V15-C58 HydrophobicContact CG2-CB 4.2Å
16	K	96.1	Very high	96.5	Very high	90 Å²	90	48 Å²	48	39%	0.391	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	130.8	171.2	-71.2	-177	177.2	-178.1	0	108.9	Y2 E18 H19 A20	Y2-K16 HydrophobicContact CD1-CG 4.09Å; Y2-K16 HydrophobicContact CE1-CB 4.44Å; Y2-K16 HydrophobicContact CE1-CG 3.54Å; K16-E18 HydrophobicContact CB-CG 4.26Å; K16-E18 WeakPolarHBondContact CD-OE1 3.48Å; K16-E18 PolarHBondContact O-N 2.85Å; K16-H19 HydrophobicContact CB-CB 4.36Å; K16-H19 WeakPolarHBondContact O-CA 3.43Å; K16-H19 WeakPolarHBondContact O-CB 3.4Å; K16-H19 PolarHBondContact O-N 3.36Å; K16-A20 PolarHBondContact O-N 2.96Å; K16-A20 VanDerWaalsContact O-N 3.09Å
17	R	93.4	Very high	96.2	Very high	43 Å²	43	52.7 Å²	52.7	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-54.5	-43.4	-177.8	-173.5	173.3	178.3	116.3	-3.5	111	M1 V15 H19 A20 L21 N39 N42	M1-R17 HydrophobicContact CB-CB 4.36Å; M1-R17 WeakPolarHBondContact O-CB 2.9Å; M1-R17 PolarHBondContact O-N 2.99Å; V15-R17 PolarHBondContact O-N 2.8Å; R17-H19 PolarHBondContact O-N 3.2Å; R17-A20 PolarHBondContact O-N 2.82Å; R17-A20 VanDerWaalsContact O-N 3.16Å; R17-L21 HydrophobicContact CG-CD1 4.34Å; R17-L21 HydrophobicContact CG-CG 4.39Å; R17-L21 VanDerWaalsContact O-CG 3.26Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 3.09Å; R17-N39 PolarHBondContact NH2-OD1 3.29Å; R17-N42 PolarHBondContact NH1-OD1 3.29Å
18	E	94.3	Very high	95.8	Very high	119 Å²	119	55.5 Å²	55.5	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-58.8	-30.3	177.7	78.4	-164.1	162.6	0	0	113.6	K16	K16-E18 HydrophobicContact CB-CG 4.26Å; K16-E18 WeakPolarHBondContact CD-OE1 3.48Å; K16-E18 PolarHBondContact O-N 2.85Å
19	H	96.9	Very high	95.3	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-78.6	-44.1	176.6	-65.3	32.9	0	0	0	110.5	V15 K16 R17 L21 T22 F61 V65	V15-H19 HydrophobicContact CG1-CB 4.01Å; K16-H19 HydrophobicContact CB-CB 4.36Å; K16-H19 WeakPolarHBondContact O-CA 3.43Å; K16-H19 WeakPolarHBondContact O-CB 3.4Å; K16-H19 PolarHBondContact O-N 3.36Å; R17-H19 PolarHBondContact O-N 3.2Å; H19-L21 PolarHBondContact O-N 3.1Å; H19-T22 WeakPolarHBondContact O-CB 3.4Å; H19-T22 PolarHBondContact O-N 3.28Å; H19-T22 PolarHBondContact O-OG1 3.48Å; H19-F61 HydrophobicContact CB-CB 4.09Å; H19-V65 HydrophobicContact CB-CG2 4.33Å
20	A	96.3	Very high	94.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-28.6	177.6	0	0	0	0	0	112.9	V3 V15 K16 R17 T22 S23 I26	V3-A20 HydrophobicContact CG1-CB 3.42Å; V3-A20 VanDerWaalsContact CG1-CB 3.42Å; V15-A20 HydrophobicContact CG1-CB 4.5Å; K16-A20 PolarHBondContact O-N 2.96Å; K16-A20 VanDerWaalsContact O-N 3.09Å; R17-A20 PolarHBondContact O-N 2.82Å; R17-A20 VanDerWaalsContact O-N 3.16Å; A20-T22 PolarHBondContact O-N 2.92Å; A20-T22 VanDerWaalsContact O-N 3.13Å; A20-S23 PolarHBondContact O-N 3.34Å; A20-S23 VanDerWaalsContact O-N 3.12Å; A20-I26 HydrophobicContact CB-CG2 4.17Å
21	L	93.9	Very high	93.9	Very high	67 Å²	67	51.8 Å²	51.8	35%	0.351	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-1.5	173.1	-67.1	178.6	0	0	0	114.2	R17 H19 S23 K27 L30	R17-L21 HydrophobicContact CG-CD1 4.34Å; R17-L21 HydrophobicContact CG-CG 4.39Å; R17-L21 VanDerWaalsContact O-CG 3.26Å; R17-L21 WeakPolarHBondContact O-CG 3.26Å; R17-L21 PolarHBondContact O-N 3.09Å; H19-L21 PolarHBondContact O-N 3.1Å; L21-S23 PolarHBondContact O-N 3.13Å; L21-K27 HydrophobicContact CD2-CB 3.79Å; L21-K27 HydrophobicContact CD2-CG 3.99Å; L21-L30 HydrophobicContact CD2-CD1 4.31Å
22	T	95.6	Very high	92.4	Very high	28 Å²	28	48 Å²	48	17%	0.172	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.7	164.9	-58.5	0	0	0	0	111.7	H19 A20 F61 K64	H19-T22 WeakPolarHBondContact O-CB 3.4Å; H19-T22 PolarHBondContact O-N 3.28Å; H19-T22 PolarHBondContact O-OG1 3.48Å; A20-T22 PolarHBondContact O-N 2.92Å; A20-T22 VanDerWaalsContact O-N 3.13Å; T22-F61 HydrophobicContact CG2-CD1 4.11Å; T22-K64 HydrophobicContact CG2-CB 4.1Å; T22-K64 HydrophobicContact CG2-CD 3.39Å; T22-K64 HydrophobicContact CG2-CG 3.74Å
23	S	97	Very high	90.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-87.3	124.1	173.8	161.3	0	0	0	0	110.8	A20 L21 T25 I26 K27 L94	A20-S23 PolarHBondContact O-N 3.34Å; A20-S23 VanDerWaalsContact O-N 3.12Å; L21-S23 PolarHBondContact O-N 3.13Å; S23-T25 VanDerWaalsContact C-N 3.29Å; S23-T25 PolarHBondContact O-N 2.94Å; S23-T25 PolarHBondContact OG-N 2.83Å; S23-I26 WeakPolarHBondContact OG-CG1 3.47Å; S23-I26 PolarHBondContact OG-N 2.85Å; S23-K27 WeakPolarHBondContact O-CB 3.33Å; S23-K27 PolarHBondContact O-N 3.25Å; S23-L94 WeakPolarHBondContact CA-O 3.36Å; S23-L94 VanDerWaalsContact CB-O 3.24Å; S23-L94 WeakPolarHBondContact CB-O 3.38Å; S23-L94 PolarHBondContact OG-O 3.5Å
24	G	95.3	Very high	88.3	Confident	26 Å²	26	52.2 Å²	52.2	27%	0.268	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-40	173.5	0	0	0	0	0	112	K27 A28 L94 D95	G24-K27 WeakPolarHBondContact O-CB 3.42Å; G24-K27 PolarHBondContact O-N 2.89Å; G24-A28 WeakPolarHBondContact O-CB 3.26Å; G24-A28 PolarHBondContact O-N 2.83Å; G24-L94 PolarHBondContact N-O 2.89Å; G24-D95 PolarHBondContact N-O 2.97Å
25	T	94.3	Very high	86.1	Confident	32 Å²	32	50.5 Å²	50.5	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-66.3	-47.5	178.7	-58	0	0	0	0	112.4	S23 K27 A28 M29 F93 L94	S23-T25 VanDerWaalsContact C-N 3.29Å; S23-T25 PolarHBondContact O-N 2.94Å; S23-T25 PolarHBondContact OG-N 2.83Å; T25-K27 VanDerWaalsContact C-N 3.29Å; T25-K27 PolarHBondContact O-N 3.32Å; T25-A28 WeakPolarHBondContact O-CB 3.24Å; T25-A28 PolarHBondContact O-N 3.46Å; T25-A28 VanDerWaalsContact O-N 3.14Å; T25-M29 HydrophobicContact CG2-CE 3.75Å; T25-M29 HydrophobicContact CG2-SD 4.17Å; T25-M29 WeakPolarHBondContact O-CG 3.34Å; T25-M29 PolarHBondContact O-N 2.99Å; T25-F93 WeakPolarHBondContact CB-O 3.24Å; T25-F93 HydrophobicContact CG2-CE1 4.09Å; T25-F93 HydrophobicContact CG2-CZ 4.06Å; T25-F93 PolarHBondContact OG1-O 3.38Å; T25-L94 PolarHBondContact N-O 3.07Å
26	I	93.8	Very high	83.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-41.2	176	-67.3	174.2	0	0	0	110.3	L5 A20 S23 A28 M29 L30 V44 F46 F61 L94	L5-I26 HydrophobicContact CD1-CD1 4.09Å; L5-I26 HydrophobicContact CD2-CD1 4.11Å; A20-I26 HydrophobicContact CB-CG2 4.17Å; S23-I26 WeakPolarHBondContact OG-CG1 3.47Å; S23-I26 PolarHBondContact OG-N 2.85Å; I26-A28 VanDerWaalsContact C-N 3.3Å; I26-A28 PolarHBondContact O-N 3.27Å; I26-M29 PolarHBondContact O-N 3.15Å; I26-L30 HydrophobicContact CG2-CD1 3.74Å; I26-L30 HydrophobicContact CG2-CG 4.21Å; I26-L30 WeakPolarHBondContact O-CB 3.35Å; I26-L30 VanDerWaalsContact O-CG 3.31Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.4Å; I26-V44 HydrophobicContact CG2-CG2 4.44Å; I26-F46 HydrophobicContact CD1-CZ 3.91Å; I26-F46 HydrophobicContact CG1-CE1 4.5Å; I26-F46 HydrophobicContact CG1-CZ 3.87Å; I26-F61 HydrophobicContact CD1-CE2 3.73Å; I26-F61 HydrophobicContact CD1-CZ 3.72Å; I26-L94 HydrophobicContact CD1-CD2 4.26Å; I26-L94 HydrophobicContact CG1-CD2 4.12Å
27	K	92.1	Very high	81.8	Confident	120 Å²	120	57.4 Å²	57.4	52%	0.522	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-43.8	175.1	178.7	178.4	179.9	-175.3	0	111.5	L21 S23 G24 T25 S31	L21-K27 HydrophobicContact CD2-CB 3.79Å; L21-K27 HydrophobicContact CD2-CG 3.99Å; S23-K27 WeakPolarHBondContact O-CB 3.33Å; S23-K27 PolarHBondContact O-N 3.25Å; G24-K27 WeakPolarHBondContact O-CB 3.42Å; G24-K27 PolarHBondContact O-N 2.89Å; T25-K27 VanDerWaalsContact C-N 3.29Å; T25-K27 PolarHBondContact O-N 3.32Å; K27-S31 WeakPolarHBondContact O-CB 3.35Å; K27-S31 PolarHBondContact O-N 3.42Å; K27-S31 VanDerWaalsContact O-N 3.08Å; K27-S31 PolarHBondContact O-OG 2.97Å
28	A	90.1	Very high	80.1	Confident	61 Å²	61	59.2 Å²	59.2	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-43	177.4	0	0	0	0	0	112	G24 T25 I26 L30 S31 G32	G24-A28 WeakPolarHBondContact O-CB 3.26Å; G24-A28 PolarHBondContact O-N 2.83Å; T25-A28 WeakPolarHBondContact O-CB 3.24Å; T25-A28 PolarHBondContact O-N 3.46Å; T25-A28 VanDerWaalsContact O-N 3.14Å; I26-A28 VanDerWaalsContact C-N 3.3Å; I26-A28 PolarHBondContact O-N 3.27Å; A28-L30 PolarHBondContact O-N 3Å; A28-S31 CarbonylContact O-C 3.5Å; A28-S31 PolarHBondContact O-N 3.36Å; A28-S31 VanDerWaalsContact O-N 3.16Å; A28-G32 WeakPolarHBondContact O-CA 3.2Å; A28-G32 PolarHBondContact O-N 3.43Å
29	M	88.6	Confident	78.3	Confident	63 Å²	63	56 Å²	56	31%	0.31	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-47	175.8	-71.3	171.4	169.5	0	0	111.3	T25 I26 S31 V44 F93	T25-M29 HydrophobicContact CG2-CE 3.75Å; T25-M29 HydrophobicContact CG2-SD 4.17Å; T25-M29 WeakPolarHBondContact O-CG 3.34Å; T25-M29 PolarHBondContact O-N 2.99Å; I26-M29 PolarHBondContact O-N 3.15Å; M29-S31 PolarHBondContact O-N 3.31Å; M29-V44 HydrophobicContact SD-CG1 3.61Å; M29-F93 HydrophobicContact CE-CE1 4.36Å; M29-F93 HydrophobicContact CE-CZ 3.89Å
30	L	85.4	Confident	76.5	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-73.5	-11	178.8	-64.3	175.9	0	0	0	114.4	V3 L21 I26 A28 N39 V44	V3-L30 HydrophobicContact CG2-CD1 4.19Å; V3-L30 HydrophobicContact CG2-CD2 4.18Å; L21-L30 HydrophobicContact CD2-CD1 4.31Å; I26-L30 HydrophobicContact CG2-CD1 3.74Å; I26-L30 HydrophobicContact CG2-CG 4.21Å; I26-L30 WeakPolarHBondContact O-CB 3.35Å; I26-L30 VanDerWaalsContact O-CG 3.31Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.4Å; A28-L30 PolarHBondContact O-N 3Å; L30-N39 PolarHBondContact O-ND2 2.85Å; L30-N39 PolarHBondContact O-OD1 3.08Å; L30-N39 VanDerWaalsContact O-OD1 3.11Å; L30-V44 HydrophobicContact CD2-CG2 3.83Å; L30-V44 HydrophobicContact CG-CG2 4.2Å
31	S	79.8	Confident	75.3	Confident	68 Å²	68	66.3 Å²	66.3	48%	0.476	39%	0.393	S	S	.	.	H	α-helix	trans	-127.7	6.6	-174	-42.1	0	0	0	0	114.2	K27 A28 M29 Q35	K27-S31 WeakPolarHBondContact O-CB 3.35Å; K27-S31 PolarHBondContact O-N 3.42Å; K27-S31 VanDerWaalsContact O-N 3.08Å; K27-S31 PolarHBondContact O-OG 2.97Å; A28-S31 CarbonylContact O-C 3.5Å; A28-S31 PolarHBondContact O-N 3.36Å; A28-S31 VanDerWaalsContact O-N 3.16Å; M29-S31 PolarHBondContact O-N 3.31Å; S31-Q35 PolarHBondContact O-NE2 2.83Å
32	G	67.3	Low	74.9	Confident	23 Å²	23	64.7 Å²	64.7	24%	0.237	38%	0.384	C	S	.	.	S	Bend	trans	-91.4	158.7	-172.5	0	0	0	0	0	114.7	A28 G34 Q35	A28-G32 WeakPolarHBondContact O-CA 3.2Å; A28-G32 PolarHBondContact O-N 3.43Å; G32-G34 VanDerWaalsContact C-N 3.31Å; G32-G34 PolarHBondContact O-N 3.46Å; G32-Q35 VanDerWaalsContact C-NE2 3.35Å; G32-Q35 VanDerWaalsContact O-CB 3.28Å; G32-Q35 WeakPolarHBondContact O-CB 3.5Å; G32-Q35 WeakPolarHBondContact O-CG 3.35Å; G32-Q35 PolarHBondContact O-NE2 3.44Å
33	P	54.2	Low	74.7	Confident	148 Å²	148	66.3 Å²	66.3	96%	0.961	39%	0.39	S	S	*	.	S	Bend	trans	-74	79.8	-179.1	30.1	-32.6	0	0	0	111.5
34	G	56.4	Low	74.5	Confident	67 Å²	67	66.3 Å²	66.3	69%	0.691	39%	0.39	S	S	*	.	S	Bend	trans	-167.4	22.7	176.2	0	0	0	0	0	111.2	G32 F36	G32-G34 VanDerWaalsContact C-N 3.31Å; G32-G34 PolarHBondContact O-N 3.46Å; G34-F36 PolarHBondContact O-N 2.88Å
35	Q	50.8	Low	74.5	Confident	72 Å²	72	69.5 Å²	69.5	34%	0.336	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.1	-131.6	-137.8	174.6	78.3	0	0	115.1	S31 G32 N39	S31-Q35 PolarHBondContact O-NE2 2.83Å; G32-Q35 VanDerWaalsContact C-NE2 3.35Å; G32-Q35 VanDerWaalsContact O-CB 3.28Å; G32-Q35 WeakPolarHBondContact O-CB 3.5Å; G32-Q35 WeakPolarHBondContact O-CG 3.35Å; G32-Q35 PolarHBondContact O-NE2 3.44Å; Q35-N39 HydrophobicContact CG-CB 4.29Å; Q35-N39 VanDerWaalsContact O-CB 3.25Å; Q35-N39 WeakPolarHBondContact O-CB 3.32Å; Q35-N39 PolarHBondContact O-N 3.32Å; Q35-N39 PolarHBondContact OE1-ND2 2.92Å
36	F	50.6	Low	74.6	Confident	179 Å²	179	68.3 Å²	68.3	79%	0.785	39%	0.393	S	S	*	.	H	α-helix	trans	-75.9	-37.6	-169.6	-69	-81.6	0	0	0	112.7	G34 E40	G34-F36 PolarHBondContact O-N 2.88Å; F36-E40 WeakPolarHBondContact O-CB 3.27Å; F36-E40 WeakPolarHBondContact O-CG 3.27Å
37	A	52.8	Low	74.6	Confident	68 Å²	68	79 Å²	79	56%	0.562	43%	0.434	S	S	*	.	H	α-helix	trans	-79.1	-46.5	-177.9	0	0	0	0	0	113.3	T41	A37-T41 WeakPolarHBondContact O-CG2 3.44Å; A37-T41 PolarHBondContact O-N 3.31Å; A37-T41 VanDerWaalsContact O-N 3.17Å; A37-T41 PolarHBondContact O-OG1 3.42Å; A37-T41 VanDerWaalsContact O-OG1 3.09Å
38	E	55.9	Low	74.8	Confident	82 Å²	82	81.5 Å²	81.5	38%	0.383	45%	0.447	S	S	.	.	H	α-helix	trans	-80.6	-29.9	-172.2	-64.9	-175.4	152.2	0	0	113.7	N42	E38-N42 WeakPolarHBondContact O-CA 3.44Å; E38-N42 PolarHBondContact O-N 3Å
39	N	56.5	Low	75.2	Confident	51 Å²	51	79.1 Å²	79.1	27%	0.273	43%	0.426	S	S	.	.	H	α-helix	trans	-78	-26.7	175.4	-118.4	-6.8	0	0	0	111.8	R17 L30 Q35	R17-N39 PolarHBondContact NH2-OD1 3.29Å; L30-N39 PolarHBondContact O-ND2 2.85Å; L30-N39 PolarHBondContact O-OD1 3.08Å; L30-N39 VanDerWaalsContact O-OD1 3.11Å; Q35-N39 HydrophobicContact CG-CB 4.29Å; Q35-N39 VanDerWaalsContact O-CB 3.25Å; Q35-N39 WeakPolarHBondContact O-CB 3.32Å; Q35-N39 PolarHBondContact O-N 3.32Å; Q35-N39 PolarHBondContact OE1-ND2 2.92Å
40	E	60.5	Low	75.6	Confident	160 Å²	160	77.3 Å²	77.3	75%	0.748	42%	0.419	S	S	*	.	H	α-helix	trans	-70.5	-43	170	-79.5	-173.9	156.8	0	0	111.4	F36	F36-E40 WeakPolarHBondContact O-CB 3.27Å; F36-E40 WeakPolarHBondContact O-CG 3.27Å
41	T	69.9	Low	76.3	Confident	77 Å²	77	78.1 Å²	78.1	47%	0.472	43%	0.425	S	S	.	.	H	α-helix	trans	-84.3	-22.5	-176.6	62.8	0	0	0	0	113.7	A37 E43	A37-T41 WeakPolarHBondContact O-CG2 3.44Å; A37-T41 PolarHBondContact O-N 3.31Å; A37-T41 VanDerWaalsContact O-N 3.17Å; A37-T41 PolarHBondContact O-OG1 3.42Å; A37-T41 VanDerWaalsContact O-OG1 3.09Å; T41-E43 VanDerWaalsContact C-N 3.28Å; T41-E43 VanDerWaalsContact O-CG 3.32Å; T41-E43 WeakPolarHBondContact O-CG 3.1Å; T41-E43 PolarHBondContact O-N 2.9Å
42	N	85.4	Confident	77.1	Confident	32 Å²	32	79 Å²	79	17%	0.171	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	42.2	-171.8	-71.8	-76.2	0	0	0	112.7	M1 V3 K4 R17 E38	M1-N42 WeakPolarHBondContact CE-ND2 3.29Å; M1-N42 WeakPolarHBondContact CE-OD1 3.32Å; V3-N42 CarbonylContact C-O 3.37Å; V3-N42 WeakPolarHBondContact CA-O 3.35Å; V3-N42 VanDerWaalsContact CG2-O 3.24Å; V3-N42 WeakPolarHBondContact CG2-O 3.28Å; K4-N42 PolarHBondContact N-O 2.89Å; R17-N42 PolarHBondContact NH1-OD1 3.29Å; E38-N42 WeakPolarHBondContact O-CA 3.44Å; E38-N42 PolarHBondContact O-N 3Å
43	E	91.6	Very high	78.6	Confident	62 Å²	62	78 Å²	78	29%	0.29	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.4	-179	-46.4	-170.2	149.8	0	0	110.9	K4 I6 T41	K4-E43 HydrophobicContact CB-CB 4.23Å; K4-E43 HydrophobicContact CB-CG 3.92Å; K4-E43 HydrophobicContact CD-CG 4.11Å; K4-E43 VanDerWaalsContact CD-OE1 3.32Å; K4-E43 WeakPolarHBondContact CD-OE1 3.43Å; K4-E43 WeakPolarHBondContact CE-OE1 3.42Å; K4-E43 IonicContact NZ-OE1 2.73Å; K4-E43 PolarHBondContact NZ-OE1 3.21Å; K4-E43 CarbonylContact O-C 3.49Å; K4-E43 VanDerWaalsContact O-CA 3.26Å; K4-E43 WeakPolarHBondContact O-CA 3.36Å; I6-E43 HydrophobicContact CD1-CB 4.44Å; T41-E43 VanDerWaalsContact C-N 3.28Å; T41-E43 VanDerWaalsContact O-CG 3.32Å; T41-E43 WeakPolarHBondContact O-CG 3.1Å; T41-E43 PolarHBondContact O-N 2.9Å
44	V	93.4	Very high	80.7	Confident	1 Å²	1	71 Å²	71	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.2	173.2	179.3	0	0	0	0	108	V3 K4 L5 I6 I26 M29 L30 F46	V3-V44 HydrophobicContact CG2-CG2 4.26Å; K4-V44 PolarHBondContact O-N 3.09Å; L5-V44 HydrophobicContact CD2-CB 3.87Å; L5-V44 HydrophobicContact CD2-CG2 4.22Å; I6-V44 PolarHBondContact N-O 2.91Å; I26-V44 HydrophobicContact CG2-CG2 4.44Å; M29-V44 HydrophobicContact SD-CG1 3.61Å; L30-V44 HydrophobicContact CD2-CG2 3.83Å; L30-V44 HydrophobicContact CG-CG2 4.2Å; V44-F46 HydrophobicContact CB-CE2 4.47Å; V44-F46 HydrophobicContact CB-CZ 4.43Å; V44-F46 HydrophobicContact CG1-CD1 4.48Å; V44-F46 HydrophobicContact CG1-CE1 3.85Å; V44-F46 HydrophobicContact CG1-CE2 3.95Å; V44-F46 HydrophobicContact CG1-CZ 3.56Å
45	N	95.2	Very high	82.7	Confident	92 Å²	92	69.5 Å²	69.5	49%	0.492	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.2	-179.3	-172.8	-58.3	0	0	0	111.2	I6	I6-N45 HydrophobicContact CB-CB 4.46Å
46	F	96	Very high	85	Confident	7 Å²	7	68.1 Å²	68.1	3%	0.031	34%	0.336	C	S	.	.			trans	-99.4	106.6	177.5	-60.4	-72	0	0	0	110.7	L5 I6 S7 S8 I26 V44 E48 I49 L54 F93 L94	L5-F46 HydrophobicContact CB-CE2 4.03Å; L5-F46 HydrophobicContact CD1-CE2 4.5Å; L5-F46 HydrophobicContact CD2-CE2 4.07Å; L5-F46 HydrophobicContact CD2-CZ 4.46Å; L5-F46 HydrophobicContact CG-CE2 4.41Å; I6-F46 PolarHBondContact O-N 3.01Å; S7-F46 CarbonylContact C-O 3.53Å; S8-F46 WeakPolarHBondContact CA-O 3.47Å; S8-F46 WeakPolarHBondContact CB-O 3.15Å; S8-F46 PolarHBondContact N-O 2.93Å; I26-F46 HydrophobicContact CD1-CZ 3.91Å; I26-F46 HydrophobicContact CG1-CE1 4.5Å; I26-F46 HydrophobicContact CG1-CZ 3.87Å; V44-F46 HydrophobicContact CB-CE2 4.47Å; V44-F46 HydrophobicContact CB-CZ 4.43Å; V44-F46 HydrophobicContact CG1-CD1 4.48Å; V44-F46 HydrophobicContact CG1-CE1 3.85Å; V44-F46 HydrophobicContact CG1-CE2 3.95Å; V44-F46 HydrophobicContact CG1-CZ 3.56Å; F46-E48 VanDerWaalsContact C-N 3.26Å; F46-E48 PolarHBondContact O-N 2.84Å; F46-I49 HydrophobicContact CB-CB 3.86Å; F46-I49 HydrophobicContact CB-CD1 4.18Å; F46-I49 HydrophobicContact CB-CG1 4.02Å; F46-I49 HydrophobicContact CD1-CD1 3.7Å; F46-I49 HydrophobicContact CD1-CG1 4.39Å; F46-I49 HydrophobicContact CE1-CD1 4.25Å; F46-I49 HydrophobicContact CG-CB 4.4Å; F46-I49 HydrophobicContact CG-CD1 3.94Å; F46-I49 HydrophobicContact CG-CG1 4.34Å; F46-L54 HydrophobicContact CD2-CD1 3.97Å; F46-L54 HydrophobicContact CD2-CD2 3.83Å; F46-L54 HydrophobicContact CE2-CD1 3.9Å; F46-L54 HydrophobicContact CE2-CD2 4.33Å; F46-F93 HydrophobicContact CD1-CE1 4.1Å; F46-F93 HydrophobicContact CE1-CE1 4.15Å; F46-L94 HydrophobicContact CD1-CD2 4.41Å; F46-L94 HydrophobicContact CE1-CD2 3.51Å; F46-L94 HydrophobicContact CZ-CD2 3.79Å
47	R	95.2	Very high	87.2	Confident	225 Å²	225	59.7 Å²	59.7	85%	0.849	30%	0.3	S	S	*	.	S	Bend	trans	-71.3	-19.9	-179.2	-61.9	-177.4	-176.4	174.8	1.5	114.2	S8	S8-R47 WeakPolarHBondContact CB-O 3.18Å
48	E	95.3	Very high	89.4	Confident	173 Å²	173	57.2 Å²	57.2	81%	0.808	28%	0.278	S	S	*	.	S	Bend	trans	-118.9	-10.1	-171.8	-61.1	-175.3	145.4	0	0	113.6	F46 P50	F46-E48 VanDerWaalsContact C-N 3.26Å; F46-E48 PolarHBondContact O-N 2.84Å; E48-P50 WeakPolarHBondContact O-CD 3.25Å
49	I	98	Very high	91.4	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.056	28%	0.281	C	S	.	.			trans	-99.7	110.7	-177.7	-51.4	-179.2	0	0	0	109.5	S7 S8 F46 V53 L54 A90 F93 L94	S7-I49 WeakPolarHBondContact CA-O 3.49Å; S7-I49 WeakPolarHBondContact CB-O 3.33Å; S8-I49 PolarHBondContact N-O 2.92Å; S8-I49 PolarHBondContact OG-O 2.9Å; F46-I49 HydrophobicContact CB-CB 3.86Å; F46-I49 HydrophobicContact CB-CD1 4.18Å; F46-I49 HydrophobicContact CB-CG1 4.02Å; F46-I49 HydrophobicContact CD1-CD1 3.7Å; F46-I49 HydrophobicContact CD1-CG1 4.39Å; F46-I49 HydrophobicContact CE1-CD1 4.25Å; F46-I49 HydrophobicContact CG-CB 4.4Å; F46-I49 HydrophobicContact CG-CD1 3.94Å; F46-I49 HydrophobicContact CG-CG1 4.34Å; I49-V53 HydrophobicContact CG2-CB 4.05Å; I49-V53 HydrophobicContact CG2-CG1 3.94Å; I49-L54 HydrophobicContact CG2-CB 3.93Å; I49-L54 HydrophobicContact CG2-CD1 4.46Å; I49-A90 HydrophobicContact CD1-CB 4.22Å; I49-A90 HydrophobicContact CG1-CB 4.48Å; I49-A90 HydrophobicContact CG2-CB 4.3Å; I49-F93 HydrophobicContact CD1-CD1 4.09Å; I49-F93 HydrophobicContact CD1-CE1 4.46Å; I49-L94 HydrophobicContact CD1-CD1 4.06Å; I49-L94 HydrophobicContact CD1-CD2 4.24Å; I49-L94 HydrophobicContact CD1-CG 4.13Å
50	P	98.2	Very high	93.4	Very high	25 Å²	25	58.2 Å²	58.2	16%	0.162	28%	0.28	C	S	.	.			trans	-73.7	159.2	179.2	31.3	-35.6	0	0	0	112.1	S8 E48 H52 V53 L54	S8-P50 WeakPolarHBondContact OG-CA 3.36Å; E48-P50 WeakPolarHBondContact O-CD 3.25Å; P50-H52 VanDerWaalsContact C-N 3.29Å; P50-H52 WeakPolarHBondContact CG-CE1 3.38Å; P50-H52 PolarHBondContact O-N 2.92Å; P50-V53 HydrophobicContact CG-CB 4.22Å; P50-V53 HydrophobicContact CG-CG2 3.8Å; P50-V53 PolarHBondContact O-N 3.32Å; P50-V53 VanDerWaalsContact O-N 3.09Å; P50-L54 PolarHBondContact O-N 2.74Å
51	S	98.6	Very high	95.2	Very high	18 Å²	18	50.6 Å²	50.6	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-51.4	-43	-177.5	-72.1	0	0	0	0	114.7	S7 D9 H11 F13 V53 L54 S55	S7-S51 PolarHBondContact OG-OG 2.89Å; D9-S51 WeakPolarHBondContact OD1-CB 3.22Å; D9-S51 PolarHBondContact OD1-N 2.87Å; D9-S51 PolarHBondContact OD1-OG 3.5Å; D9-S51 VanDerWaalsContact OD2-CB 3.29Å; D9-S51 WeakPolarHBondContact OD2-CB 3.49Å; D9-S51 PolarHBondContact OD2-OG 3.1Å; H11-S51 WeakPolarHBondContact CB-OG 3.45Å; F13-S51 WeakPolarHBondContact CZ-O 3.4Å; S51-V53 PolarHBondContact O-N 3.33Å; S51-L54 PolarHBondContact O-N 3.11Å; S51-S55 VanDerWaalsContact O-CB 3.23Å; S51-S55 WeakPolarHBondContact O-CB 3.49Å; S51-S55 PolarHBondContact O-N 2.81Å
52	H	97.7	Very high	96.4	Very high	87 Å²	87	50.3 Å²	50.3	40%	0.403	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-29.5	-175.6	73.8	-89.1	0	0	0	112.2	P50 E86	P50-H52 VanDerWaalsContact C-N 3.29Å; P50-H52 WeakPolarHBondContact CG-CE1 3.38Å; P50-H52 PolarHBondContact O-N 2.92Å; H52-E86 IonicContact CE1-OE2 3.48Å; H52-E86 PolarHBondContact CE1-OE2 2.71Å; H52-E86 IonicContact NE2-OE1 3.75Å; H52-E86 IonicContact NE2-OE2 3.57Å
53	V	98.5	Very high	97	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-81.1	-48.4	172.7	179.6	0	0	0	0	110.6	I49 P50 S51 S55 K56 V57 E86 L87 A90	I49-V53 HydrophobicContact CG2-CB 4.05Å; I49-V53 HydrophobicContact CG2-CG1 3.94Å; P50-V53 HydrophobicContact CG-CB 4.22Å; P50-V53 HydrophobicContact CG-CG2 3.8Å; P50-V53 PolarHBondContact O-N 3.32Å; P50-V53 VanDerWaalsContact O-N 3.09Å; S51-V53 PolarHBondContact O-N 3.33Å; V53-S55 PolarHBondContact O-N 3.43Å; V53-K56 WeakPolarHBondContact O-CB 3.11Å; V53-K56 PolarHBondContact O-N 3.34Å; V53-V57 HydrophobicContact CG1-CG2 4.44Å; V53-V57 PolarHBondContact O-N 3.08Å; V53-E86 HydrophobicContact CG2-CB 3.66Å; V53-L87 HydrophobicContact CG1-CB 4.43Å; V53-L87 HydrophobicContact CG1-CD1 3.99Å; V53-A90 HydrophobicContact CG1-CB 3.6Å
54	L	98.4	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-34.2	-177.7	-172.9	57.3	0	0	0	111.9	L5 F13 F46 I49 P50 S51 K56 V57 C58	L5-L54 HydrophobicContact CB-CD2 4.19Å; F13-L54 HydrophobicContact CD2-CB 4.37Å; F13-L54 HydrophobicContact CD2-CD2 3.55Å; F13-L54 HydrophobicContact CD2-CG 3.8Å; F13-L54 HydrophobicContact CE2-CB 3.93Å; F13-L54 HydrophobicContact CE2-CD2 3.76Å; F13-L54 HydrophobicContact CE2-CG 3.88Å; F13-L54 HydrophobicContact CZ-CB 4.43Å; F46-L54 HydrophobicContact CD2-CD1 3.97Å; F46-L54 HydrophobicContact CD2-CD2 3.83Å; F46-L54 HydrophobicContact CE2-CD1 3.9Å; F46-L54 HydrophobicContact CE2-CD2 4.33Å; I49-L54 HydrophobicContact CG2-CB 3.93Å; I49-L54 HydrophobicContact CG2-CD1 4.46Å; P50-L54 PolarHBondContact O-N 2.74Å; S51-L54 PolarHBondContact O-N 3.11Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-K56 PolarHBondContact O-N 3.13Å; L54-V57 HydrophobicContact CD1-CB 4.4Å; L54-V57 HydrophobicContact CD1-CG1 4.4Å; L54-V57 WeakPolarHBondContact O-CB 3.31Å; L54-V57 PolarHBondContact O-N 3.49Å; L54-C58 PolarHBondContact O-N 3.33Å; L54-C58 PolarHBondContact O-SG 3.16Å
55	S	98.2	Very high	97.4	Very high	36 Å²	36	54.1 Å²	54.1	25%	0.252	26%	0.26	S	S	.	.	H	α-helix	trans	-57.5	-46.1	172.1	-174.6	0	0	0	0	111.7	S51 V53 C58 M59	S51-S55 VanDerWaalsContact O-CB 3.23Å; S51-S55 WeakPolarHBondContact O-CB 3.49Å; S51-S55 PolarHBondContact O-N 2.81Å; V53-S55 PolarHBondContact O-N 3.43Å; S55-C58 PolarHBondContact O-N 3.34Å; S55-M59 WeakPolarHBondContact O-CG 3.44Å; S55-M59 PolarHBondContact O-N 2.93Å
56	K	98.4	Very high	97.4	Very high	43 Å²	43	56.6 Å²	56.6	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-37.1	177.8	-88.2	-75.1	174.1	179.1	0	113	V53 L54 M59 Y60 F77 P78 I83 L87	V53-K56 WeakPolarHBondContact O-CB 3.11Å; V53-K56 PolarHBondContact O-N 3.34Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-K56 PolarHBondContact O-N 3.13Å; K56-M59 HydrophobicContact CD-SD 3.98Å; K56-M59 WeakPolarHBondContact O-CB 3.47Å; K56-M59 PolarHBondContact O-N 3.23Å; K56-Y60 WeakPolarHBondContact O-CB 3.24Å; K56-Y60 PolarHBondContact O-N 2.78Å; K56-F77 HydrophobicContact CD-CE1 4.11Å; K56-F77 HydrophobicContact CD-CZ 4Å; K56-P78 PolarHBondContact NZ-O 3.12Å; K56-I83 HydrophobicContact CB-CD1 4.34Å; K56-I83 HydrophobicContact CG-CD1 3.72Å; K56-L87 HydrophobicContact CB-CD1 4.1Å; K56-L87 HydrophobicContact CB-CD2 4.35Å
57	V	98.3	Very high	97.4	Very high	3 Å²	3	59 Å²	59	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-46.4	170.5	169.2	0	0	0	0	110.9	V53 L54 M59 Y60 F61 L87 A90 L94	V53-V57 HydrophobicContact CG1-CG2 4.44Å; V53-V57 PolarHBondContact O-N 3.08Å; L54-V57 HydrophobicContact CD1-CB 4.4Å; L54-V57 HydrophobicContact CD1-CG1 4.4Å; L54-V57 WeakPolarHBondContact O-CB 3.31Å; L54-V57 PolarHBondContact O-N 3.49Å; V57-M59 VanDerWaalsContact C-N 3.34Å; V57-M59 PolarHBondContact O-N 3.48Å; V57-Y60 WeakPolarHBondContact O-CA 3.39Å; V57-Y60 WeakPolarHBondContact O-CB 3.28Å; V57-Y60 PolarHBondContact O-N 3.36Å; V57-Y60 VanDerWaalsContact O-N 3.1Å; V57-F61 HydrophobicContact CG1-CD1 4.47Å; V57-F61 HydrophobicContact CG1-CD2 4.41Å; V57-F61 HydrophobicContact CG1-CE1 3.78Å; V57-F61 HydrophobicContact CG1-CE2 3.72Å; V57-F61 HydrophobicContact CG1-CZ 3.36Å; V57-F61 WeakPolarHBondContact O-CG 3.47Å; V57-F61 PolarHBondContact O-N 3.38Å; V57-L87 HydrophobicContact CG2-CD1 3.77Å; V57-A90 HydrophobicContact CG2-CB 4.45Å; V57-L94 HydrophobicContact CB-CD1 4.3Å; V57-L94 HydrophobicContact CG1-CD1 3.44Å; V57-L94 VanDerWaalsContact CG1-CD1 3.44Å; V57-L94 HydrophobicContact CG2-CD1 3.91Å
58	C	98.1	Very high	97.3	Very high	15 Å²	15	52.1 Å²	52.1	10%	0.101	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-40.6	178.2	-66.5	0	0	0	0	112.1	V15 L54 S55 Y60 F61 T62	V15-C58 HydrophobicContact CG2-CB 4.2Å; L54-C58 PolarHBondContact O-N 3.33Å; L54-C58 PolarHBondContact O-SG 3.16Å; S55-C58 PolarHBondContact O-N 3.34Å; C58-Y60 VanDerWaalsContact C-N 3.31Å; C58-Y60 PolarHBondContact O-N 2.55Å; C58-F61 PolarHBondContact O-N 3.03Å; C58-T62 PolarHBondContact O-N 3.27Å
59	M	97.9	Very high	97.2	Very high	93 Å²	93	51.6 Å²	51.6	46%	0.458	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-42.6	172.4	-67.6	175.5	-171	0	0	111.3	S55 K56 V57 F61 T62 Y63 F77	S55-M59 WeakPolarHBondContact O-CG 3.44Å; S55-M59 PolarHBondContact O-N 2.93Å; K56-M59 HydrophobicContact CD-SD 3.98Å; K56-M59 WeakPolarHBondContact O-CB 3.47Å; K56-M59 PolarHBondContact O-N 3.23Å; V57-M59 VanDerWaalsContact C-N 3.34Å; V57-M59 PolarHBondContact O-N 3.48Å; M59-F61 PolarHBondContact O-N 2.94Å; M59-T62 PolarHBondContact O-N 3.31Å; M59-Y63 WeakPolarHBondContact O-CB 3.19Å; M59-Y63 PolarHBondContact O-N 2.83Å; M59-F77 HydrophobicContact CB-CE2 4Å; M59-F77 HydrophobicContact CB-CZ 3.99Å
60	Y	98.2	Very high	96.9	Very high	61 Å²	61	52.7 Å²	52.7	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-39	177.7	172.2	-109	0	0	0	112.1	K56 V57 C58 T62 Y63 K64 C96	K56-Y60 WeakPolarHBondContact O-CB 3.24Å; K56-Y60 PolarHBondContact O-N 2.78Å; V57-Y60 WeakPolarHBondContact O-CA 3.39Å; V57-Y60 WeakPolarHBondContact O-CB 3.28Å; V57-Y60 PolarHBondContact O-N 3.36Å; V57-Y60 VanDerWaalsContact O-N 3.1Å; C58-Y60 VanDerWaalsContact C-N 3.31Å; C58-Y60 PolarHBondContact O-N 2.55Å; Y60-T62 PolarHBondContact O-N 3.41Å; Y60-Y63 HydrophobicContact CD2-CD1 4.05Å; Y60-Y63 HydrophobicContact CE2-CD1 4.32Å; Y60-Y63 WeakPolarHBondContact O-CB 3.15Å; Y60-Y63 PolarHBondContact O-N 2.88Å; Y60-K64 HydrophobicContact CE1-CD 3.89Å; Y60-K64 HydrophobicContact CE2-CB 4.3Å; Y60-K64 HydrophobicContact CE2-CD 4.22Å; Y60-K64 WeakPolarHBondContact O-CB 3.5Å; Y60-K64 PolarHBondContact O-N 2.81Å; Y60-K64 VanDerWaalsContact OH-CD 3.23Å; Y60-K64 WeakPolarHBondContact OH-CD 3.26Å; Y60-K64 PolarHBondContact OH-NZ 2.98Å; Y60-C96 HydrophobicContact CE1-CB 4.04Å; Y60-C96 VanDerWaalsContact CE1-OXT 3.27Å; Y60-C96 WeakPolarHBondContact CE1-OXT 3.36Å; Y60-C96 PolarHBondContact OH-OXT 3.41Å
61	F	98.2	Very high	96.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-46.2	175.1	-64.8	-22.1	0	0	0	112.2	L5 H19 T22 I26 V57 C58 M59 V65 C96	L5-F61 HydrophobicContact CD1-CE2 4Å; H19-F61 HydrophobicContact CB-CB 4.09Å; T22-F61 HydrophobicContact CG2-CD1 4.11Å; I26-F61 HydrophobicContact CD1-CE2 3.73Å; I26-F61 HydrophobicContact CD1-CZ 3.72Å; V57-F61 HydrophobicContact CG1-CD1 4.47Å; V57-F61 HydrophobicContact CG1-CD2 4.41Å; V57-F61 HydrophobicContact CG1-CE1 3.78Å; V57-F61 HydrophobicContact CG1-CE2 3.72Å; V57-F61 HydrophobicContact CG1-CZ 3.36Å; V57-F61 WeakPolarHBondContact O-CG 3.47Å; V57-F61 PolarHBondContact O-N 3.38Å; C58-F61 PolarHBondContact O-N 3.03Å; M59-F61 PolarHBondContact O-N 2.94Å; F61-V65 WeakPolarHBondContact O-CG2 3.43Å; F61-V65 PolarHBondContact O-N 3.31Å; F61-C96 HydrophobicContact CE1-CB 4.08Å
62	T	96.6	Very high	96.5	Very high	72 Å²	72	60.4 Å²	60.4	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-44.9	174.2	-57.3	0	0	0	0	111.8	C58 M59 Y60 R66	C58-T62 PolarHBondContact O-N 3.27Å; M59-T62 PolarHBondContact O-N 3.31Å; Y60-T62 PolarHBondContact O-N 3.41Å; T62-R66 WeakPolarHBondContact O-CB 3.45Å; T62-R66 PolarHBondContact O-N 3.42Å
63	Y	97.6	Very high	96.3	Very high	55 Å²	55	64.9 Å²	64.9	22%	0.216	34%	0.339	C	S	.	.	H	α-helix	trans	-58	-51.8	177.7	170.4	-90.2	0	0	0	111.4	M59 Y60 V65 R66 Y67 I74 P75 F77	M59-Y63 WeakPolarHBondContact O-CB 3.19Å; M59-Y63 PolarHBondContact O-N 2.83Å; Y60-Y63 HydrophobicContact CD2-CD1 4.05Å; Y60-Y63 HydrophobicContact CE2-CD1 4.32Å; Y60-Y63 WeakPolarHBondContact O-CB 3.15Å; Y60-Y63 PolarHBondContact O-N 2.88Å; Y63-V65 PolarHBondContact O-N 3.14Å; Y63-R66 PolarHBondContact O-N 3Å; Y63-Y67 HydrophobicContact CD1-CD2 4.49Å; Y63-Y67 AromaticContact CD2-CD2 3.41Å; Y63-Y67 HydrophobicContact CD2-CD2 3.41Å; Y63-Y67 VanDerWaalsContact CD2-CD2 3.41Å; Y63-Y67 AromaticContact CD2-CE2 3.47Å; Y63-Y67 HydrophobicContact CD2-CE2 3.47Å; Y63-Y67 VanDerWaalsContact CD2-CE2 3.47Å; Y63-Y67 AromaticContact CE2-CD2 3.48Å; Y63-Y67 HydrophobicContact CE2-CD2 3.48Å; Y63-Y67 VanDerWaalsContact CE2-CD2 3.48Å; Y63-Y67 AromaticContact CE2-CE2 3.67Å; Y63-Y67 HydrophobicContact CE2-CE2 3.67Å; Y63-Y67 HydrophobicContact CE2-CG 4.47Å; Y63-Y67 AromaticContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CE2 4.33Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.48Å; Y63-Y67 PolarHBondContact O-N 3.38Å; Y63-I74 HydrophobicContact CE2-CG2 4.38Å; Y63-I74 WeakPolarHBondContact OH-CG2 3.09Å; Y63-P75 HydrophobicContact CE2-CG 4.32Å; Y63-P75 WeakPolarHBondContact CE2-O 3.26Å; Y63-P75 PolarHBondContact OH-O 3.19Å; Y63-F77 HydrophobicContact CD1-CD2 4.16Å; Y63-F77 HydrophobicContact CD2-CB 4.41Å; Y63-F77 AromaticContact CD2-CD2 3.85Å; Y63-F77 HydrophobicContact CD2-CD2 3.85Å; Y63-F77 HydrophobicContact CE1-CB 4.24Å; Y63-F77 HydrophobicContact CE2-CB 4.13Å; Y63-F77 HydrophobicContact CE2-CD2 4.41Å; Y63-F77 AromaticContact CG-CD2 3.72Å; Y63-F77 HydrophobicContact CG-CD2 3.72Å; Y63-F77 HydrophobicContact CG-CE2 4.36Å; Y63-F77 HydrophobicContact CG-CG 4.5Å
64	K	96.3	Very high	96.1	Very high	64 Å²	64	69.2 Å²	69.2	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-48.1	-179.2	-177.9	149.8	169.1	-165.2	0	111	T22 Y60 R66 Y67 T68 C96	T22-K64 HydrophobicContact CG2-CB 4.1Å; T22-K64 HydrophobicContact CG2-CD 3.39Å; T22-K64 HydrophobicContact CG2-CG 3.74Å; Y60-K64 HydrophobicContact CE1-CD 3.89Å; Y60-K64 HydrophobicContact CE2-CB 4.3Å; Y60-K64 HydrophobicContact CE2-CD 4.22Å; Y60-K64 WeakPolarHBondContact O-CB 3.5Å; Y60-K64 PolarHBondContact O-N 2.81Å; Y60-K64 VanDerWaalsContact OH-CD 3.23Å; Y60-K64 WeakPolarHBondContact OH-CD 3.26Å; Y60-K64 PolarHBondContact OH-NZ 2.98Å; K64-R66 VanDerWaalsContact C-N 3.35Å; K64-R66 PolarHBondContact O-N 3.35Å; K64-Y67 PolarHBondContact O-N 3.47Å; K64-T68 VanDerWaalsContact O-CB 3.24Å; K64-T68 WeakPolarHBondContact O-CB 3.36Å; K64-T68 PolarHBondContact O-N 2.84Å; K64-T68 PolarHBondContact O-OG1 3.49Å; K64-C96 PolarHBondContact NZ-OXT 2.92Å
65	V	96	Very high	96	Very high	56 Å²	56	72 Å²	72	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-43.5	175.9	172.6	0	0	0	0	111.7	H19 F61 Y63 Y67	H19-V65 HydrophobicContact CB-CG2 4.33Å; F61-V65 WeakPolarHBondContact O-CG2 3.43Å; F61-V65 PolarHBondContact O-N 3.31Å; Y63-V65 PolarHBondContact O-N 3.14Å; V65-Y67 VanDerWaalsContact C-N 3.31Å; V65-Y67 PolarHBondContact O-N 3.4Å
66	R	95.6	Very high	96	Very high	144 Å²	144	78.8 Å²	78.8	54%	0.543	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-34.4	-177.2	178.4	60.7	-176.6	86.5	-0.3	113.2	T62 Y63 K64	T62-R66 WeakPolarHBondContact O-CB 3.45Å; T62-R66 PolarHBondContact O-N 3.42Å; Y63-R66 PolarHBondContact O-N 3Å; K64-R66 VanDerWaalsContact C-N 3.35Å; K64-R66 PolarHBondContact O-N 3.35Å
67	Y	96.1	Very high	95.9	Very high	58 Å²	58	78.8 Å²	78.8	23%	0.227	41%	0.407	C	S	.	.	H	α-helix	trans	-106.7	-9.3	-174	-64.5	-66.4	0	0	0	114.2	Y63 K64 V65 N69 S70 I74 P75	Y63-Y67 HydrophobicContact CD1-CD2 4.49Å; Y63-Y67 AromaticContact CD2-CD2 3.41Å; Y63-Y67 HydrophobicContact CD2-CD2 3.41Å; Y63-Y67 VanDerWaalsContact CD2-CD2 3.41Å; Y63-Y67 AromaticContact CD2-CE2 3.47Å; Y63-Y67 HydrophobicContact CD2-CE2 3.47Å; Y63-Y67 VanDerWaalsContact CD2-CE2 3.47Å; Y63-Y67 AromaticContact CE2-CD2 3.48Å; Y63-Y67 HydrophobicContact CE2-CD2 3.48Å; Y63-Y67 VanDerWaalsContact CE2-CD2 3.48Å; Y63-Y67 AromaticContact CE2-CE2 3.67Å; Y63-Y67 HydrophobicContact CE2-CE2 3.67Å; Y63-Y67 HydrophobicContact CE2-CG 4.47Å; Y63-Y67 AromaticContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CE2 4.33Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.48Å; Y63-Y67 PolarHBondContact O-N 3.38Å; K64-Y67 PolarHBondContact O-N 3.47Å; V65-Y67 VanDerWaalsContact C-N 3.31Å; V65-Y67 PolarHBondContact O-N 3.4Å; Y67-N69 PolarHBondContact O-N 3.28Å; Y67-S70 WeakPolarHBondContact O-CB 3.37Å; Y67-S70 PolarHBondContact O-N 3.45Å; Y67-S70 VanDerWaalsContact O-N 3.07Å; Y67-I74 HydrophobicContact CD1-CG1 4.48Å; Y67-I74 HydrophobicContact CG-CG2 4.21Å; Y67-P75 VanDerWaalsContact CE1-CD 3.45Å; Y67-P75 HydrophobicContact CE1-CG 4.12Å; Y67-P75 HydrophobicContact CE2-CG 3.82Å; Y67-P75 VanDerWaalsContact CZ-CG 3.49Å; Y67-P75 VanDerWaalsContact OH-CG 3.31Å; Y67-P75 WeakPolarHBondContact OH-CG 3.33Å
68	T	93.9	Very high	95.8	Very high	79 Å²	79	82.6 Å²	82.6	49%	0.485	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	122.4	169.2	-66	0	0	0	0	109.2	K64 S70	K64-T68 VanDerWaalsContact O-CB 3.24Å; K64-T68 WeakPolarHBondContact O-CB 3.36Å; K64-T68 PolarHBondContact O-N 2.84Å; K64-T68 PolarHBondContact O-OG1 3.49Å; T68-S70 PolarHBondContact O-N 3.43Å
69	N	92.3	Very high	95.8	Very high	163 Å²	163	86 Å²	86	87%	0.872	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.4	-175.3	-51.6	-46	0	0	0	115.1	Y67	Y67-N69 PolarHBondContact O-N 3.28Å
70	S	93.1	Very high	95.7	Very high	34 Å²	34	83.6 Å²	83.6	24%	0.238	44%	0.443	C	S	.	.			trans	-71.6	138.6	173.7	-166	0	0	0	0	110.8	Y67 T68 T72	Y67-S70 WeakPolarHBondContact O-CB 3.37Å; Y67-S70 PolarHBondContact O-N 3.45Å; Y67-S70 VanDerWaalsContact O-N 3.07Å; T68-S70 PolarHBondContact O-N 3.43Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact OG-N 2.66Å; S70-T72 PolarHBondContact OG-OG1 2.98Å
71	S	92.4	Very high	95.6	Very high	129 Å²	129	85.8 Å²	85.8	90%	0.902	46%	0.464	S	S	*	.	S	Bend	trans	-89.1	-2	170.2	55.1	0	0	0	0	113
72	T	94	Very high	95.5	Very high	75 Å²	75	93 Å²	93	46%	0.46	50%	0.498	S	S	.	.	S	Bend	trans	-85.8	159.9	176.1	67.8	0	0	0	0	111	S70 I74	S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact OG-N 2.66Å; S70-T72 PolarHBondContact OG-OG1 2.98Å; T72-I74 PolarHBondContact O-N 2.89Å
73	E	93.4	Very high	95.5	Very high	181 Å²	181	90.8 Å²	90.8	85%	0.846	48%	0.483	S	S	*	.			trans	-53.1	134.8	165	-171.7	173.3	-165.3	0	0	110.2
74	I	96.2	Very high	95.5	Very high	93 Å²	93	90 Å²	90	48%	0.477	49%	0.489	S	S	.	.			trans	-93.7	115.1	-178.7	-59.8	177.2	0	0	0	106.8	Y63 Y67 T72	Y63-I74 HydrophobicContact CE2-CG2 4.38Å; Y63-I74 WeakPolarHBondContact OH-CG2 3.09Å; Y67-I74 HydrophobicContact CD1-CG1 4.48Å; Y67-I74 HydrophobicContact CG-CG2 4.21Å; T72-I74 PolarHBondContact O-N 2.89Å
75	P	96.2	Very high	95.6	Very high	59 Å²	59	93.6 Å²	93.6	38%	0.383	51%	0.51	S	S	.	.			trans	-69.9	155.4	-180	29.7	-33.5	0	0	0	110.8	Y63 Y67	Y63-P75 HydrophobicContact CE2-CG 4.32Å; Y63-P75 WeakPolarHBondContact CE2-O 3.26Å; Y63-P75 PolarHBondContact OH-O 3.19Å; Y67-P75 VanDerWaalsContact CE1-CD 3.45Å; Y67-P75 HydrophobicContact CE1-CG 4.12Å; Y67-P75 HydrophobicContact CE2-CG 3.82Å; Y67-P75 VanDerWaalsContact CZ-CG 3.49Å; Y67-P75 VanDerWaalsContact OH-CG 3.31Å; Y67-P75 WeakPolarHBondContact OH-CG 3.33Å
76	E	96.7	Very high	95.7	Very high	178 Å²	178	94.7 Å²	94.7	83%	0.832	51%	0.512	S	S	*	.			trans	-61.5	140.7	172.8	-169.1	177	-176.2	0	0	110.9	P78	E76-P78 WeakPolarHBondContact O-CD 3.23Å
77	F	96.9	Very high	95.8	Very high	42 Å²	42	88.7 Å²	88.7	18%	0.184	49%	0.49	C	S	.	.			trans	-94.7	100.9	172	-174.1	-96.2	0	0	0	109.2	K56 M59 Y63 I79	K56-F77 HydrophobicContact CD-CE1 4.11Å; K56-F77 HydrophobicContact CD-CZ 4Å; M59-F77 HydrophobicContact CB-CE2 4Å; M59-F77 HydrophobicContact CB-CZ 3.99Å; Y63-F77 HydrophobicContact CD1-CD2 4.16Å; Y63-F77 HydrophobicContact CD2-CB 4.41Å; Y63-F77 AromaticContact CD2-CD2 3.85Å; Y63-F77 HydrophobicContact CD2-CD2 3.85Å; Y63-F77 HydrophobicContact CE1-CB 4.24Å; Y63-F77 HydrophobicContact CE2-CB 4.13Å; Y63-F77 HydrophobicContact CE2-CD2 4.41Å; Y63-F77 AromaticContact CG-CD2 3.72Å; Y63-F77 HydrophobicContact CG-CD2 3.72Å; Y63-F77 HydrophobicContact CG-CE2 4.36Å; Y63-F77 HydrophobicContact CG-CG 4.5Å; F77-I79 HydrophobicContact CD1-CD1 4.32Å; F77-I79 HydrophobicContact CD1-CG1 3.92Å; F77-I79 HydrophobicContact CE1-CG1 4.18Å; F77-I79 PolarHBondContact O-N 2.98Å
78	P	96.6	Very high	95.9	Very high	83 Å²	83	91.5 Å²	91.5	54%	0.539	51%	0.508	S	S	.	.			trans	-70.3	128.2	-171.9	27.5	-35	0	0	0	111.2	K56 E76	K56-P78 PolarHBondContact NZ-O 3.12Å; E76-P78 WeakPolarHBondContact O-CD 3.23Å
79	I	96.6	Very high	96.1	Very high	87 Å²	87	93.7 Å²	93.7	45%	0.446	52%	0.515	S	S	.	.			trans	-118.2	124.4	174.7	-61	170	0	0	0	107.6	F77 I83 A84 L87	F77-I79 HydrophobicContact CD1-CD1 4.32Å; F77-I79 HydrophobicContact CD1-CG1 3.92Å; F77-I79 HydrophobicContact CE1-CG1 4.18Å; F77-I79 PolarHBondContact O-N 2.98Å; I79-I83 HydrophobicContact CG2-CG1 4.29Å; I79-A84 HydrophobicContact CG2-CB 4.13Å; I79-L87 HydrophobicContact CD1-CD2 3.91Å; I79-L87 HydrophobicContact CG1-CD2 3.92Å; I79-L87 HydrophobicContact CG2-CD2 3.84Å
80	A	96.1	Very high	96.3	Very high	42 Å²	42	86.2 Å²	86.2	35%	0.347	48%	0.475	S	S	.	.			trans	-71.3	133.7	176.1	0	0	0	0	0	109.1	E82 I83 A84	A80-E82 WeakPolarHBondContact CB-OE2 3.27Å; A80-E82 PolarHBondContact O-N 3.16Å; A80-E82 VanDerWaalsContact O-N 3.1Å; A80-I83 HydrophobicContact CB-CG1 4.24Å; A80-I83 VanDerWaalsContact O-CG1 3.32Å; A80-I83 WeakPolarHBondContact O-CG1 3.41Å; A80-I83 PolarHBondContact O-N 2.76Å; A80-I83 VanDerWaalsContact O-N 3.13Å; A80-A84 PolarHBondContact O-N 2.7Å
81	P	96.9	Very high	96.5	Very high	107 Å²	107	85.9 Å²	85.9	70%	0.695	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-53.9	-32.4	-178.6	-27.5	35.3	0	0	0	113.5	I83 A84	P81-I83 PolarHBondContact O-N 3.2Å; P81-A84 PolarHBondContact O-N 2.98Å
82	E	96.9	Very high	96.8	Very high	151 Å²	151	86.2 Å²	86.2	71%	0.706	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-64.7	-27.4	-176.5	-59.3	73.5	-158.5	0	0	112.8	A80	A80-E82 WeakPolarHBondContact CB-OE2 3.27Å; A80-E82 PolarHBondContact O-N 3.16Å; A80-E82 VanDerWaalsContact O-N 3.1Å
83	I	96.8	Very high	96.9	Very high	26 Å²	26	87 Å²	87	13%	0.133	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-108.1	-2.5	-176.7	69.5	167.3	0	0	0	112.7	K56 I79 A80 P81 L85 E86 L87	K56-I83 HydrophobicContact CB-CD1 4.34Å; K56-I83 HydrophobicContact CG-CD1 3.72Å; I79-I83 HydrophobicContact CG2-CG1 4.29Å; A80-I83 HydrophobicContact CB-CG1 4.24Å; A80-I83 VanDerWaalsContact O-CG1 3.32Å; A80-I83 WeakPolarHBondContact O-CG1 3.41Å; A80-I83 PolarHBondContact O-N 2.76Å; A80-I83 VanDerWaalsContact O-N 3.13Å; P81-I83 PolarHBondContact O-N 3.2Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 3.43Å; I83-E86 PolarHBondContact O-N 3.05Å; I83-L87 VanDerWaalsContact O-CB 3.27Å; I83-L87 WeakPolarHBondContact O-CB 3.48Å; I83-L87 PolarHBondContact O-N 3.49Å
84	A	97.4	Very high	97.1	Very high	40 Å²	40	78.4 Å²	78.4	33%	0.331	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-39.7	-166.5	0	0	0	0	0	112.9	I79 A80 P81 L88	I79-A84 HydrophobicContact CG2-CB 4.13Å; A80-A84 PolarHBondContact O-N 2.7Å; P81-A84 PolarHBondContact O-N 2.98Å; A84-L88 WeakPolarHBondContact O-CB 3.47Å; A84-L88 PolarHBondContact O-N 3.36Å
85	L	97.8	Very high	97.1	Very high	139 Å²	139	79.4 Å²	79.4	73%	0.728	43%	0.43	S	S	*	.	H	α-helix	trans	-68.4	-46.4	178.8	-67.1	175.6	0	0	0	111.9	I83 L87 L88 M89	I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 3.43Å; L85-L87 VanDerWaalsContact C-N 3.35Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-M89 WeakPolarHBondContact O-CG 3.38Å; L85-M89 PolarHBondContact O-N 3.4Å; L85-M89 VanDerWaalsContact O-N 3.08Å
86	E	97.4	Very high	97	Very high	79 Å²	79	78.4 Å²	78.4	37%	0.369	42%	0.424	S	S	.	.	H	α-helix	trans	-65.1	-40.7	177.8	-65.2	-179.2	-120.1	0	0	111.6	H52 V53 I83 L88 M89 A90	H52-E86 IonicContact CE1-OE2 3.48Å; H52-E86 PolarHBondContact CE1-OE2 2.71Å; H52-E86 IonicContact NE2-OE1 3.75Å; H52-E86 IonicContact NE2-OE2 3.57Å; V53-E86 HydrophobicContact CG2-CB 3.66Å; I83-E86 PolarHBondContact O-N 3.05Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.18Å; E86-M89 HydrophobicContact CB-CE 4.46Å; E86-M89 HydrophobicContact CG-CE 4.21Å; E86-M89 PolarHBondContact O-N 3.27Å; E86-A90 WeakPolarHBondContact O-CB 3.31Å; E86-A90 PolarHBondContact O-N 2.93Å
87	L	98	Very high	97	Very high	17 Å²	17	73.4 Å²	73.4	9%	0.089	40%	0.403	C	S	.	.	H	α-helix	trans	-63.9	-38.1	175.9	-174.9	61.9	0	0	0	111.9	V53 K56 V57 I79 I83 L85 A90 A91	V53-L87 HydrophobicContact CG1-CB 4.43Å; V53-L87 HydrophobicContact CG1-CD1 3.99Å; K56-L87 HydrophobicContact CB-CD1 4.1Å; K56-L87 HydrophobicContact CB-CD2 4.35Å; V57-L87 HydrophobicContact CG2-CD1 3.77Å; I79-L87 HydrophobicContact CD1-CD2 3.91Å; I79-L87 HydrophobicContact CG1-CD2 3.92Å; I79-L87 HydrophobicContact CG2-CD2 3.84Å; I83-L87 VanDerWaalsContact O-CB 3.27Å; I83-L87 WeakPolarHBondContact O-CB 3.48Å; I83-L87 PolarHBondContact O-N 3.49Å; L85-L87 VanDerWaalsContact C-N 3.35Å; L87-A90 PolarHBondContact O-N 2.65Å; L87-A91 VanDerWaalsContact O-CB 3.27Å; L87-A91 WeakPolarHBondContact O-CB 3.18Å; L87-A91 PolarHBondContact O-N 3.2Å
88	L	97.9	Very high	97	Very high	118 Å²	118	75.1 Å²	75.1	62%	0.618	42%	0.415	S	S	*	.	H	α-helix	trans	-63.1	-44.9	174.5	177.6	63.5	0	0	0	111.7	A84 L85 E86 A91 N92	A84-L88 WeakPolarHBondContact O-CB 3.47Å; A84-L88 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.46Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.18Å; L88-A91 PolarHBondContact O-N 3.45Å; L88-N92 WeakPolarHBondContact O-CB 3.16Å; L88-N92 PolarHBondContact O-N 3.28Å
89	M	97.8	Very high	97	Very high	124 Å²	124	74.6 Å²	74.6	61%	0.611	41%	0.408	S	S	*	.	H	α-helix	trans	-62.7	-44.1	176.7	-67.6	-172.2	-64.9	0	0	111.5	L85 E86 N92 F93	L85-M89 WeakPolarHBondContact O-CG 3.38Å; L85-M89 PolarHBondContact O-N 3.4Å; L85-M89 VanDerWaalsContact O-N 3.08Å; E86-M89 HydrophobicContact CB-CE 4.46Å; E86-M89 HydrophobicContact CG-CE 4.21Å; E86-M89 PolarHBondContact O-N 3.27Å; M89-N92 PolarHBondContact O-N 3.44Å; M89-F93 PolarHBondContact O-N 3.39Å
90	A	97.9	Very high	97.1	Very high	6 Å²	6	73.9 Å²	73.9	5%	0.05	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-43.8	176	0	0	0	0	0	111.8	I49 V53 V57 E86 L87 N92 F93 L94	I49-A90 HydrophobicContact CD1-CB 4.22Å; I49-A90 HydrophobicContact CG1-CB 4.48Å; I49-A90 HydrophobicContact CG2-CB 4.3Å; V53-A90 HydrophobicContact CG1-CB 3.6Å; V57-A90 HydrophobicContact CG2-CB 4.45Å; E86-A90 WeakPolarHBondContact O-CB 3.31Å; E86-A90 PolarHBondContact O-N 2.93Å; L87-A90 PolarHBondContact O-N 2.65Å; A90-N92 PolarHBondContact O-N 2.84Å; A90-F93 PolarHBondContact O-N 2.98Å; A90-L94 VanDerWaalsContact O-CB 3.26Å; A90-L94 WeakPolarHBondContact O-CB 3.06Å; A90-L94 WeakPolarHBondContact O-CG 3.46Å; A90-L94 PolarHBondContact O-N 3.42Å
91	A	97.3	Very high	97.1	Very high	27 Å²	27	75.9 Å²	75.9	22%	0.223	41%	0.409	C	S	.	.	H	α-helix	trans	-62.1	-42.2	177.9	0	0	0	0	0	112	L87 L88 L94 D95 C96	L87-A91 VanDerWaalsContact O-CB 3.27Å; L87-A91 WeakPolarHBondContact O-CB 3.18Å; L87-A91 PolarHBondContact O-N 3.2Å; L88-A91 PolarHBondContact O-N 3.45Å; A91-L94 PolarHBondContact O-N 2.58Å; A91-D95 PolarHBondContact O-N 2.72Å; A91-C96 PolarHBondContact O-N 2.8Å
92	N	97.5	Very high	97.1	Very high	136 Å²	136	73.8 Å²	73.8	73%	0.727	39%	0.39	S	S	*	.	H	α-helix	trans	-62.6	-44.9	174.7	178.4	81.7	0	0	0	112	L88 M89 A90 L94 D95	L88-N92 WeakPolarHBondContact O-CB 3.16Å; L88-N92 PolarHBondContact O-N 3.28Å; M89-N92 PolarHBondContact O-N 3.44Å; A90-N92 PolarHBondContact O-N 2.84Å; N92-L94 VanDerWaalsContact C-N 3.34Å; N92-D95 PolarHBondContact O-N 3.28Å
93	F	96.9	Very high	97.2	Very high	93 Å²	93	68.3 Å²	68.3	41%	0.408	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-39.5	176.1	171.4	-100.1	0	0	0	112.5	T25 M29 F46 I49 M89 A90 D95	T25-F93 WeakPolarHBondContact CB-O 3.24Å; T25-F93 HydrophobicContact CG2-CE1 4.09Å; T25-F93 HydrophobicContact CG2-CZ 4.06Å; T25-F93 PolarHBondContact OG1-O 3.38Å; M29-F93 HydrophobicContact CE-CE1 4.36Å; M29-F93 HydrophobicContact CE-CZ 3.89Å; F46-F93 HydrophobicContact CD1-CE1 4.1Å; F46-F93 HydrophobicContact CE1-CE1 4.15Å; I49-F93 HydrophobicContact CD1-CD1 4.09Å; I49-F93 HydrophobicContact CD1-CE1 4.46Å; M89-F93 PolarHBondContact O-N 3.39Å; A90-F93 PolarHBondContact O-N 2.98Å; F93-D95 VanDerWaalsContact C-N 3.3Å; F93-D95 PolarHBondContact O-N 3.22Å
94	L	97	Very high	97.2	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-80.7	-8.6	-177.1	-69.5	173	0	0	0	113.5	S23 G24 T25 I26 F46 I49 V57 A90 A91 N92	S23-L94 WeakPolarHBondContact CA-O 3.36Å; S23-L94 VanDerWaalsContact CB-O 3.24Å; S23-L94 WeakPolarHBondContact CB-O 3.38Å; S23-L94 PolarHBondContact OG-O 3.5Å; G24-L94 PolarHBondContact N-O 2.89Å; T25-L94 PolarHBondContact N-O 3.07Å; I26-L94 HydrophobicContact CD1-CD2 4.26Å; I26-L94 HydrophobicContact CG1-CD2 4.12Å; F46-L94 HydrophobicContact CD1-CD2 4.41Å; F46-L94 HydrophobicContact CE1-CD2 3.51Å; F46-L94 HydrophobicContact CZ-CD2 3.79Å; I49-L94 HydrophobicContact CD1-CD1 4.06Å; I49-L94 HydrophobicContact CD1-CD2 4.24Å; I49-L94 HydrophobicContact CD1-CG 4.13Å; V57-L94 HydrophobicContact CB-CD1 4.3Å; V57-L94 HydrophobicContact CG1-CD1 3.44Å; V57-L94 VanDerWaalsContact CG1-CD1 3.44Å; V57-L94 HydrophobicContact CG2-CD1 3.91Å; A90-L94 VanDerWaalsContact O-CB 3.26Å; A90-L94 WeakPolarHBondContact O-CB 3.06Å; A90-L94 WeakPolarHBondContact O-CG 3.46Å; A90-L94 PolarHBondContact O-N 3.42Å; A91-L94 PolarHBondContact O-N 2.58Å; N92-L94 VanDerWaalsContact C-N 3.34Å
95	D	97	Very high	97.2	Very high	113 Å²	113	74.2 Å²	74.2	60%	0.604	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	59.2	-177	-174.2	38	0	0	0	111.2	G24 A91 N92 F93	G24-D95 PolarHBondContact N-O 2.97Å; A91-D95 PolarHBondContact O-N 2.72Å; N92-D95 PolarHBondContact O-N 3.28Å; F93-D95 VanDerWaalsContact C-N 3.3Å; F93-D95 PolarHBondContact O-N 3.22Å
96	C	93.6	Very high	97.1	Very high	38 Å²	38	68.3 Å²	68.3	26%	0.257	36%	0.36	S	S	.	.			trans	-142	0	-174.6	71.9	0	0	0	0	115.3	Y60 F61 K64 A91	Y60-C96 HydrophobicContact CE1-CB 4.04Å; Y60-C96 VanDerWaalsContact CE1-OXT 3.27Å; Y60-C96 WeakPolarHBondContact CE1-OXT 3.36Å; Y60-C96 PolarHBondContact OH-OXT 3.41Å; F61-C96 HydrophobicContact CE1-CB 4.08Å; K64-C96 PolarHBondContact NZ-OXT 2.92Å; A91-C96 PolarHBondContact O-N 2.8Å

Retrieved 96 of 96 residues in 64 ms (Link to these results)

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