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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 , UniProt , Accession A0A096MIY6, Species RAT (Rattus norvegicus, Rat), Gene Elocl1, Length 112 aa.

						>A0A096MIY6_RAT|A0A096MIY6|Elocl1
MDGEEKTYDGCEGPDAMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFEENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
					

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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	42.9	Very low	51	Low	239 Å²	239	125.7 Å²	125.7	100%	1.177	67%	0.665	S	S	*	*				0	99.2	0	-85.5	178.7	171.3	0	0	104.7	G3	M1-G3 PolarHBondContact O-N 3.3Å
2	D	42.6	Very low	53	Low	163 Å²	163	129.2 Å²	129.2	87%	0.872	67%	0.674	S	S	*	*			trans	-61.6	102.7	175.6	-55.8	-76.5	0	0	0	107	E4	D2-E4 VanDerWaalsContact C-N 3.27Å; D2-E4 PolarHBondContact O-N 3.33Å
3	G	44.7	Very low	54.3	Low	69 Å²	69	121 Å²	121	71%	0.711	64%	0.641	S	S	*	*			trans	-65	100.9	163.8	0	0	0	0	0	104.9	M1 E5	M1-G3 PolarHBondContact O-N 3.3Å; G3-E5 PolarHBondContact O-N 3.08Å
4	E	43.9	Very low	55.5	Low	168 Å²	168	119.3 Å²	119.3	79%	0.785	64%	0.64	S	S	*	*			trans	-52.9	101.7	163.5	-68.1	179.3	151.1	0	0	105.7	D2 K6	D2-E4 VanDerWaalsContact C-N 3.27Å; D2-E4 PolarHBondContact O-N 3.33Å; E4-K6 PolarHBondContact O-N 3.31Å
5	E	44.5	Very low	56.7	Low	176 Å²	176	121.9 Å²	121.9	82%	0.822	65%	0.654	S	S	*	*			trans	-55.5	96.8	162.1	-77.8	-178.9	162	0	0	104.5	G3 T7	G3-E5 PolarHBondContact O-N 3.08Å; E5-T7 PolarHBondContact O-N 3.33Å
6	K	44.6	Very low	58.4	Low	144 Å²	144	114.6 Å²	114.6	63%	0.626	62%	0.616	S	S	*	*			trans	-63.5	94.2	168.4	-73.4	-179	-178.7	175.1	0	104.6	E4 Y8	E4-K6 PolarHBondContact O-N 3.31Å; K6-Y8 VanDerWaalsContact C-N 3.31Å; K6-Y8 HydrophobicContact CB-CD2 4.12Å; K6-Y8 HydrophobicContact CB-CE2 3.59Å; K6-Y8 WeakPolarHBondContact O-CD2 3.31Å; K6-Y8 WeakPolarHBondContact O-CE2 3.35Å; K6-Y8 PolarHBondContact O-N 3.11Å
7	T	44.3	Very low	60.3	Low	119 Å²	119	114.1 Å²	114.1	73%	0.73	61%	0.61	S	S	*	*			trans	-66.5	98.7	171.3	50.2	0	0	0	0	106.1	E5 D9	E5-T7 PolarHBondContact O-N 3.33Å; T7-D9 PolarHBondContact O-N 3.02Å
8	Y	54.2	Low	62.1	Low	113 Å²	113	111.5 Å²	111.5	44%	0.443	59%	0.591	S	S	.	*			trans	-77.4	84.7	170.2	-65.8	-89.4	0	0	0	106.6	K6 G10 C11 I30	K6-Y8 VanDerWaalsContact C-N 3.31Å; K6-Y8 HydrophobicContact CB-CD2 4.12Å; K6-Y8 HydrophobicContact CB-CE2 3.59Å; K6-Y8 WeakPolarHBondContact O-CD2 3.31Å; K6-Y8 WeakPolarHBondContact O-CE2 3.35Å; K6-Y8 PolarHBondContact O-N 3.11Å; Y8-G10 PolarHBondContact O-N 3.27Å; Y8-C11 PolarHBondContact O-N 3.29Å; Y8-I30 HydrophobicContact CD1-CB 4.42Å; Y8-I30 HydrophobicContact CD1-CG2 3.85Å; Y8-I30 HydrophobicContact CD2-CB 4.23Å; Y8-I30 HydrophobicContact CD2-CD1 4.44Å; Y8-I30 HydrophobicContact CD2-CG1 3.61Å; Y8-I30 HydrophobicContact CD2-CG2 4.21Å; Y8-I30 HydrophobicContact CE1-CB 4.44Å; Y8-I30 HydrophobicContact CE1-CG2 4.27Å; Y8-I30 HydrophobicContact CE2-CB 4.25Å; Y8-I30 HydrophobicContact CE2-CG1 3.74Å; Y8-I30 HydrophobicContact CG-CB 4.31Å; Y8-I30 HydrophobicContact CG-CG1 4.1Å; Y8-I30 HydrophobicContact CG-CG2 3.8Å
9	D	58.5	Low	63.7	Low	154 Å²	154	105.6 Å²	105.6	82%	0.824	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	34.3	-178.7	-170.6	40.1	0	0	0	114	T7	T7-D9 PolarHBondContact O-N 3.02Å
10	G	67.8	Low	65.3	Low	18 Å²	18	102.2 Å²	102.2	19%	0.186	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146.8	20.2	-175.6	0	0	0	0	0	113.3	Y8 A16 M17 Y18	Y8-G10 PolarHBondContact O-N 3.27Å; G10-A16 CarbonylContact O-C 3.59Å; G10-A16 WeakPolarHBondContact O-CA 3.21Å; G10-A16 WeakPolarHBondContact O-CB 3.39Å; G10-M17 PolarHBondContact O-N 3.35Å; G10-Y18 PolarHBondContact O-N 3.06Å
11	C	73.2	Confident	66.7	Low	20 Å²	20	97.3 Å²	97.3	14%	0.135	51%	0.514	C	S	.	.			trans	-99.9	3.1	173.3	-56.6	0	0	0	0	112.6	Y8 N58	Y8-C11 PolarHBondContact O-N 3.29Å; C11-N58 WeakPolarHBondContact O-CB 3.44Å; C11-N58 PolarHBondContact O-ND2 3.36Å
12	E	74.4	Confident	69.3	Low	167 Å²	167	86.9 Å²	86.9	78%	0.78	46%	0.463	S	S	*	.	S	Bend	trans	-95.6	132.7	-175.7	-64.6	-173.6	179.1	0	0	112.6
13	G	70.4	Confident	72	Confident	23 Å²	23	79.2 Å²	79.2	24%	0.237	42%	0.422	C	S	.	.	S	Bend	trans	77.1	171.5	172.4	0	0	0	0	0	115.7	D15 A16 E56 N58	G13-D15 PolarHBondContact O-N 3.1Å; G13-D15 VanDerWaalsContact O-N 3.12Å; G13-A16 WeakPolarHBondContact O-CB 3.37Å; G13-A16 PolarHBondContact O-N 3.11Å; G13-A16 VanDerWaalsContact O-N 3.1Å; G13-E56 PolarHBondContact N-O 3.4Å; G13-N58 PolarHBondContact N-ND2 3.02Å; G13-N58 PolarHBondContact O-ND2 3.42Å; G13-N58 PolarHBondContact O-OD1 3.32Å
14	P	71.1	Confident	74.5	Confident	97 Å²	97	78.6 Å²	78.6	63%	0.63	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.8	-169.5	25.2	-35.3	0	0	0	114.3	R33	P14-R33 VanDerWaalsContact O-CZ 3.28Å; P14-R33 PolarHBondContact O-NH2 3.4Å
15	D	73.9	Confident	77.1	Confident	158 Å²	158	74.2 Å²	74.2	85%	0.845	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	12.4	-178.3	-61.4	-48.7	0	0	0	113.2	G13 M17	G13-D15 PolarHBondContact O-N 3.1Å; G13-D15 VanDerWaalsContact O-N 3.12Å; D15-M17 PolarHBondContact O-N 3.33Å
16	A	84.3	Confident	79.6	Confident	6 Å²	6	68.2 Å²	68.2	5%	0.05	37%	0.374	C	S	.	.			trans	-52	129.3	176.5	0	0	0	0	0	112.1	G10 G13 Y18 R33 N58	G10-A16 CarbonylContact O-C 3.59Å; G10-A16 WeakPolarHBondContact O-CA 3.21Å; G10-A16 WeakPolarHBondContact O-CB 3.39Å; G13-A16 WeakPolarHBondContact O-CB 3.37Å; G13-A16 PolarHBondContact O-N 3.11Å; G13-A16 VanDerWaalsContact O-N 3.1Å; A16-Y18 PolarHBondContact O-N 3.2Å; A16-R33 WeakPolarHBondContact O-CB 3.19Å; A16-R33 WeakPolarHBondContact O-CD 3.27Å; A16-R33 PolarHBondContact O-NH1 3.25Å; A16-N58 HydrophobicContact CB-CB 4.4Å; A16-N58 VanDerWaalsContact CB-ND2 3.28Å; A16-N58 WeakPolarHBondContact CB-ND2 3.49Å
17	M	90.2	Very high	82.1	Confident	105 Å²	105	66 Å²	66	52%	0.517	37%	0.366	S	S	.	.	S	Bend	trans	-66.5	-27	177.8	-177.5	176.8	179.6	0	0	112	G10 D15 K32 R33	G10-M17 PolarHBondContact O-N 3.35Å; D15-M17 PolarHBondContact O-N 3.33Å; M17-K32 CarbonylContact O-C 3.4Å; M17-K32 WeakPolarHBondContact O-CA 2.85Å; M17-R33 PolarHBondContact O-N 3.48Å
18	Y	93	Very high	84.6	Confident	68 Å²	68	65.8 Å²	65.8	27%	0.267	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157	-177.6	-61	-84.6	0	0	0	111.4	G10 A16 I30 V31 K32	G10-Y18 PolarHBondContact O-N 3.06Å; A16-Y18 PolarHBondContact O-N 3.2Å; Y18-I30 HydrophobicContact CD1-CG2 3.95Å; Y18-I30 HydrophobicContact CG-CG2 4.05Å; Y18-V31 CarbonylContact C-O 3.56Å; Y18-V31 VanDerWaalsContact CA-O 3.28Å; Y18-V31 WeakPolarHBondContact CA-O 3.27Å; Y18-K32 HydrophobicContact CD1-CG 4.11Å; Y18-K32 HydrophobicContact CE1-CG 3.65Å
19	V	92.8	Very high	86.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.1	170.5	-56.1	0	0	0	0	108.2	L21 V31 R33 A36 L46 N58	V19-L21 HydrophobicContact CG2-CD2 4.15Å; V19-L21 HydrophobicContact CG2-CG 4.49Å; V19-V31 HydrophobicContact CG2-CG2 3.52Å; V19-V31 PolarHBondContact N-O 3.29Å; V19-V31 PolarHBondContact O-N 2.9Å; V19-R33 HydrophobicContact CG1-CB 4.01Å; V19-R33 HydrophobicContact CG1-CG 3.87Å; V19-A36 HydrophobicContact CG2-CB 3.47Å; V19-A36 VanDerWaalsContact CG2-CB 3.47Å; V19-L46 HydrophobicContact CB-CD1 4.46Å; V19-L46 HydrophobicContact CG1-CD1 3.75Å; V19-L46 HydrophobicContact CG1-CD2 4.41Å; V19-N58 CarbonylContact C-O 3.5Å; V19-N58 WeakPolarHBondContact CA-O 3.27Å; V19-N58 WeakPolarHBondContact CB-O 3.34Å; V19-N58 HydrophobicContact CG1-CB 4.22Å
20	K	94.5	Very high	88.5	Confident	36 Å²	36	57.1 Å²	57.1	16%	0.157	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.2	176	-177.2	-170.5	-68.7	-179.9	0	109.4	I22 E28 I30 N58 E59 V60	K20-I22 HydrophobicContact CD-CD1 3.91Å; K20-I22 HydrophobicContact CD-CG1 3.91Å; K20-I22 HydrophobicContact CG-CD1 4.43Å; K20-I22 HydrophobicContact CG-CG1 3.92Å; K20-E28 HydrophobicContact CD-CB 4.29Å; K20-E28 HydrophobicContact CD-CG 4.08Å; K20-E28 WeakPolarHBondContact CD-OE2 3.43Å; K20-E28 WeakPolarHBondContact CE-OE2 3.21Å; K20-E28 HydrophobicContact CG-CB 4.19Å; K20-E28 HydrophobicContact CG-CG 4.46Å; K20-E28 IonicContact NZ-OE1 2.74Å; K20-E28 PolarHBondContact NZ-OE1 3.4Å; K20-E28 IonicContact NZ-OE2 3.38Å; K20-E28 PolarHBondContact NZ-OE2 2.84Å; K20-I30 HydrophobicContact CB-CD1 3.68Å; K20-I30 HydrophobicContact CD-CD1 4.43Å; K20-I30 HydrophobicContact CG-CD1 3.69Å; K20-N58 PolarHBondContact N-O 2.94Å; K20-E59 HydrophobicContact CB-CB 4.49Å; K20-E59 HydrophobicContact CB-CG 4.06Å; K20-E59 HydrophobicContact CD-CG 4.09Å; K20-E59 WeakPolarHBondContact CD-OE1 3.2Å; K20-E59 VanDerWaalsContact CE-OE1 3.26Å; K20-E59 WeakPolarHBondContact CE-OE1 3.41Å; K20-E59 IonicContact NZ-OE1 3.7Å; K20-E59 PolarHBondContact NZ-OE1 3.27Å; K20-E59 CarbonylContact O-C 3.55Å; K20-E59 WeakPolarHBondContact O-CA 3.33Å; K20-V60 PolarHBondContact O-N 3.36Å
21	L	96	Very high	89.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.6	173.6	-56.3	-174.2	0	0	0	108.9	V19 F29 V31 I42 V60 F62 L70 F77	V19-L21 HydrophobicContact CG2-CD2 4.15Å; V19-L21 HydrophobicContact CG2-CG 4.49Å; L21-F29 HydrophobicContact CB-CB 4.32Å; L21-F29 PolarHBondContact N-O 3.47Å; L21-F29 PolarHBondContact O-N 2.6Å; L21-V31 HydrophobicContact CD1-CG2 3.76Å; L21-V31 HydrophobicContact CG-CG2 3.9Å; L21-I42 HydrophobicContact CD1-CD1 4.04Å; L21-I42 HydrophobicContact CD2-CD1 4.1Å; L21-V60 HydrophobicContact CD2-CB 3.82Å; L21-V60 HydrophobicContact CD2-CG1 4.45Å; L21-V60 HydrophobicContact CD2-CG2 4.24Å; L21-F62 HydrophobicContact CB-CE2 4.02Å; L21-F62 HydrophobicContact CD1-CE2 4.38Å; L21-F62 HydrophobicContact CD2-CE2 4.04Å; L21-F62 HydrophobicContact CD2-CZ 4.4Å; L21-F62 HydrophobicContact CG-CE2 4.36Å; L21-L70 HydrophobicContact CB-CD1 4.41Å; L21-L70 HydrophobicContact CB-CD2 4.13Å; L21-L70 HydrophobicContact CD1-CD1 4.38Å; L21-F77 HydrophobicContact CD1-CE2 3.97Å
22	I	96.9	Very high	90.8	Very high	20 Å²	20	59.9 Å²	59.9	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.5	-175.4	-50	175.3	0	0	0	108.5	K20 E28 E59 V60 F62	K20-I22 HydrophobicContact CD-CD1 3.91Å; K20-I22 HydrophobicContact CD-CG1 3.91Å; K20-I22 HydrophobicContact CG-CD1 4.43Å; K20-I22 HydrophobicContact CG-CG1 3.92Å; I22-E28 HydrophobicContact CG1-CG 4.42Å; I22-E59 HydrophobicContact CD1-CB 4.47Å; I22-V60 PolarHBondContact N-O 3.48Å; I22-F62 PolarHBondContact O-N 2.8Å
23	S	98.1	Very high	91.6	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	29%	0.291	C	S	.	.			trans	-75.1	164.2	176	49.9	0	0	0	0	112.6	D25 G26 H27 F62 I65	S23-D25 VanDerWaalsContact CB-OD1 3.25Å; S23-D25 WeakPolarHBondContact CB-OD1 3.25Å; S23-D25 PolarHBondContact O-N 3.48Å; S23-D25 PolarHBondContact OG-OD1 2.85Å; S23-G26 PolarHBondContact O-N 3.49Å; S23-H27 PolarHBondContact N-O 2.82Å; S23-H27 WeakPolarHBondContact OG-CA 3.19Å; S23-H27 VanDerWaalsContact OG-CB 3.27Å; S23-H27 WeakPolarHBondContact OG-CB 3.48Å; S23-H27 PolarHBondContact OG-N 2.91Å; S23-H27 PolarHBondContact OG-O 3.11Å; S23-F62 CarbonylContact C-O 3.57Å; S23-I65 WeakPolarHBondContact CA-O 3.36Å; S23-I65 WeakPolarHBondContact CB-O 3.46Å
24	S	97.9	Very high	92.7	Very high	57 Å²	57	58.2 Å²	58.2	40%	0.399	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.9	-179.9	59.7	0	0	0	0	113.8	F62 R63 I65 P66	S24-F62 WeakPolarHBondContact CA-O 3.24Å; S24-F62 WeakPolarHBondContact CB-O 3.24Å; S24-F62 PolarHBondContact N-O 2.97Å; S24-R63 WeakPolarHBondContact CB-O 3.25Å; S24-I65 PolarHBondContact N-O 3.38Å; S24-I65 VanDerWaalsContact OG-C 3.28Å; S24-I65 PolarHBondContact OG-O 2.93Å; S24-I65 VanDerWaalsContact OG-O 3.11Å; S24-P66 VanDerWaalsContact OG-CA 3.31Å; S24-P66 WeakPolarHBondContact OG-CA 3.38Å
25	D	97.9	Very high	94	Very high	75 Å²	75	54.6 Å²	54.6	40%	0.401	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	14.6	175	61.3	-31.6	0	0	0	112.8	S23 H27 S67	S23-D25 VanDerWaalsContact CB-OD1 3.25Å; S23-D25 WeakPolarHBondContact CB-OD1 3.25Å; S23-D25 PolarHBondContact O-N 3.48Å; S23-D25 PolarHBondContact OG-OD1 2.85Å; D25-H27 PolarHBondContact O-N 2.99Å; D25-H27 IonicContact OD1-ND1 3.11Å; D25-H27 IonicContact OD2-CE1 3.08Å; D25-H27 PolarHBondContact OD2-CE1 3.24Å; D25-H27 IonicContact OD2-ND1 3.59Å; D25-H27 PolarHBondContact OD2-ND1 2.94Å; D25-H27 VanDerWaalsContact OD2-ND1 3.11Å; D25-S67 VanDerWaalsContact OD1-CB 3.24Å; D25-S67 WeakPolarHBondContact OD1-CB 3.42Å; D25-S67 PolarHBondContact OD1-N 2.96Å; D25-S67 PolarHBondContact OD1-OG 3.25Å; D25-S67 VanDerWaalsContact OD2-CB 3.24Å; D25-S67 WeakPolarHBondContact OD2-CB 3.44Å; D25-S67 PolarHBondContact OD2-OG 3.41Å
26	G	97.1	Very high	95	Very high	50 Å²	50	47.1 Å²	47.1	52%	0.515	24%	0.241	S	C	.	.	S	Bend	trans	83.2	6.5	167.6	0	0	0	0	0	115.9	S23	S23-G26 PolarHBondContact O-N 3.49Å
27	H	98.2	Very high	95.4	Very high	99 Å²	99	49.8 Å²	49.8	46%	0.458	25%	0.254	S	S	.	.			trans	-76	133.4	173.8	-62.7	75.3	0	0	0	110.7	S23 D25 F29 S67	S23-H27 PolarHBondContact N-O 2.82Å; S23-H27 WeakPolarHBondContact OG-CA 3.19Å; S23-H27 VanDerWaalsContact OG-CB 3.27Å; S23-H27 WeakPolarHBondContact OG-CB 3.48Å; S23-H27 PolarHBondContact OG-N 2.91Å; S23-H27 PolarHBondContact OG-O 3.11Å; D25-H27 PolarHBondContact O-N 2.99Å; D25-H27 IonicContact OD1-ND1 3.11Å; D25-H27 IonicContact OD2-CE1 3.08Å; D25-H27 PolarHBondContact OD2-CE1 3.24Å; D25-H27 IonicContact OD2-ND1 3.59Å; D25-H27 PolarHBondContact OD2-ND1 2.94Å; D25-H27 VanDerWaalsContact OD2-ND1 3.11Å; H27-F29 HydrophobicContact CB-CE2 3.87Å; H27-F29 HydrophobicContact CB-CZ 4.25Å; H27-S67 WeakPolarHBondContact ND1-CB 3.27Å
28	E	97.2	Very high	95.7	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.5	177.9	-55.8	-170.5	165.9	0	0	111.4	K20 I22	K20-E28 HydrophobicContact CD-CB 4.29Å; K20-E28 HydrophobicContact CD-CG 4.08Å; K20-E28 WeakPolarHBondContact CD-OE2 3.43Å; K20-E28 WeakPolarHBondContact CE-OE2 3.21Å; K20-E28 HydrophobicContact CG-CB 4.19Å; K20-E28 HydrophobicContact CG-CG 4.46Å; K20-E28 IonicContact NZ-OE1 2.74Å; K20-E28 PolarHBondContact NZ-OE1 3.4Å; K20-E28 IonicContact NZ-OE2 3.38Å; K20-E28 PolarHBondContact NZ-OE2 2.84Å; I22-E28 HydrophobicContact CG1-CG 4.42Å
29	F	97.4	Very high	95.9	Very high	41 Å²	41	42.9 Å²	42.9	18%	0.18	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.5	175.6	-61.3	-93.5	0	0	0	109.4	L21 H27 L70	L21-F29 HydrophobicContact CB-CB 4.32Å; L21-F29 PolarHBondContact N-O 3.47Å; L21-F29 PolarHBondContact O-N 2.6Å; H27-F29 HydrophobicContact CB-CE2 3.87Å; H27-F29 HydrophobicContact CB-CZ 4.25Å; F29-L70 HydrophobicContact CD2-CB 4.38Å; F29-L70 HydrophobicContact CD2-CD2 3.53Å; F29-L70 HydrophobicContact CD2-CG 3.78Å; F29-L70 HydrophobicContact CE2-CB 4.04Å; F29-L70 HydrophobicContact CE2-CD2 3.82Å; F29-L70 HydrophobicContact CE2-CG 3.96Å; F29-L70 HydrophobicContact CG-CD2 4.5Å; F29-L70 HydrophobicContact CG-CG 4.44Å
30	I	95.7	Very high	96	Very high	44 Å²	44	44.3 Å²	44.3	23%	0.226	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.4	175.4	-52.2	-58.9	0	0	0	108.9	Y8 Y18 K20	Y8-I30 HydrophobicContact CD1-CB 4.42Å; Y8-I30 HydrophobicContact CD1-CG2 3.85Å; Y8-I30 HydrophobicContact CD2-CB 4.23Å; Y8-I30 HydrophobicContact CD2-CD1 4.44Å; Y8-I30 HydrophobicContact CD2-CG1 3.61Å; Y8-I30 HydrophobicContact CD2-CG2 4.21Å; Y8-I30 HydrophobicContact CE1-CB 4.44Å; Y8-I30 HydrophobicContact CE1-CG2 4.27Å; Y8-I30 HydrophobicContact CE2-CB 4.25Å; Y8-I30 HydrophobicContact CE2-CG1 3.74Å; Y8-I30 HydrophobicContact CG-CB 4.31Å; Y8-I30 HydrophobicContact CG-CG1 4.1Å; Y8-I30 HydrophobicContact CG-CG2 3.8Å; Y18-I30 HydrophobicContact CD1-CG2 3.95Å; Y18-I30 HydrophobicContact CG-CG2 4.05Å; K20-I30 HydrophobicContact CB-CD1 3.68Å; K20-I30 HydrophobicContact CD-CD1 4.43Å; K20-I30 HydrophobicContact CG-CD1 3.69Å
31	V	95.2	Very high	95.9	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.6	-178.6	-63.7	0	0	0	0	109.9	Y18 V19 L21 R33 A36 C74	Y18-V31 CarbonylContact C-O 3.56Å; Y18-V31 VanDerWaalsContact CA-O 3.28Å; Y18-V31 WeakPolarHBondContact CA-O 3.27Å; V19-V31 HydrophobicContact CG2-CG2 3.52Å; V19-V31 PolarHBondContact N-O 3.29Å; V19-V31 PolarHBondContact O-N 2.9Å; L21-V31 HydrophobicContact CD1-CG2 3.76Å; L21-V31 HydrophobicContact CG-CG2 3.9Å; V31-R33 PolarHBondContact O-N 3.03Å; V31-A36 HydrophobicContact CG2-CB 3.83Å; V31-C74 HydrophobicContact CG1-CB 3.93Å
32	K	94.3	Very high	95.8	Very high	77 Å²	77	44.2 Å²	44.2	34%	0.335	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.5	173.5	-70.2	-174.9	173.6	-175.3	0	109.6	M17 Y18 E34 H35 A36	M17-K32 CarbonylContact O-C 3.4Å; M17-K32 WeakPolarHBondContact O-CA 2.85Å; Y18-K32 HydrophobicContact CD1-CG 4.11Å; Y18-K32 HydrophobicContact CE1-CG 3.65Å; K32-E34 VanDerWaalsContact C-N 3.26Å; K32-E34 HydrophobicContact CB-CG 4.14Å; K32-E34 HydrophobicContact CD-CG 4.37Å; K32-E34 WeakPolarHBondContact CD-OE1 3.35Å; K32-E34 IonicContact NZ-OE1 3.17Å; K32-E34 PolarHBondContact NZ-OE1 3.45Å; K32-E34 VanDerWaalsContact NZ-OE1 3.17Å; K32-E34 PolarHBondContact O-N 2.99Å; K32-H35 HydrophobicContact CB-CB 4.32Å; K32-H35 WeakPolarHBondContact O-CB 3.44Å; K32-H35 PolarHBondContact O-N 2.82Å; K32-A36 PolarHBondContact O-N 2.69Å
33	R	92.3	Very high	95.6	Very high	38 Å²	38	48.9 Å²	48.9	14%	0.143	26%	0.261	C	S	.	.	H	α-helix	trans	-51.4	-48.7	176	-168.2	-170.6	-148.7	84.8	4.9	110.7	P14 A16 M17 V19 V31 H35 A36 L37 N58	P14-R33 VanDerWaalsContact O-CZ 3.28Å; P14-R33 PolarHBondContact O-NH2 3.4Å; A16-R33 WeakPolarHBondContact O-CB 3.19Å; A16-R33 WeakPolarHBondContact O-CD 3.27Å; A16-R33 PolarHBondContact O-NH1 3.25Å; M17-R33 PolarHBondContact O-N 3.48Å; V19-R33 HydrophobicContact CG1-CB 4.01Å; V19-R33 HydrophobicContact CG1-CG 3.87Å; V31-R33 PolarHBondContact O-N 3.03Å; R33-H35 PolarHBondContact O-N 3.39Å; R33-H35 VanDerWaalsContact O-N 3.08Å; R33-A36 PolarHBondContact O-N 3.48Å; R33-A36 VanDerWaalsContact O-N 3.09Å; R33-L37 HydrophobicContact CG-CD1 4.2Å; R33-L37 HydrophobicContact CG-CG 4.31Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.47Å; R33-L37 PolarHBondContact O-N 2.81Å; R33-N58 VanDerWaalsContact CZ-OD1 3.26Å; R33-N58 PolarHBondContact NH1-OD1 3.08Å; R33-N58 PolarHBondContact NH2-OD1 3.39Å
34	E	93.4	Very high	95.2	Very high	117 Å²	117	51.7 Å²	51.7	55%	0.547	29%	0.285	S	S	.	.	H	α-helix	trans	-55.5	-31.4	-179.9	81.4	-171.8	163	0	0	113.1	K32	K32-E34 VanDerWaalsContact C-N 3.26Å; K32-E34 HydrophobicContact CB-CG 4.14Å; K32-E34 HydrophobicContact CD-CG 4.37Å; K32-E34 WeakPolarHBondContact CD-OE1 3.35Å; K32-E34 IonicContact NZ-OE1 3.17Å; K32-E34 PolarHBondContact NZ-OE1 3.45Å; K32-E34 VanDerWaalsContact NZ-OE1 3.17Å; K32-E34 PolarHBondContact O-N 2.99Å
35	H	96.6	Very high	94.8	Very high	22 Å²	22	50.7 Å²	50.7	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-80.8	-45.4	177.9	-69.2	41.9	0	0	0	111	K32 R33 L37 T38 F77 T78 V81	K32-H35 HydrophobicContact CB-CB 4.32Å; K32-H35 WeakPolarHBondContact O-CB 3.44Å; K32-H35 PolarHBondContact O-N 2.82Å; R33-H35 PolarHBondContact O-N 3.39Å; R33-H35 VanDerWaalsContact O-N 3.08Å; H35-L37 PolarHBondContact O-N 2.86Å; H35-T38 WeakPolarHBondContact O-CB 3.44Å; H35-T38 PolarHBondContact O-N 3.41Å; H35-T38 PolarHBondContact O-OG1 2.94Å; H35-F77 HydrophobicContact CB-CB 4.1Å; H35-T78 VanDerWaalsContact CD2-CA 3.48Å; H35-T78 WeakPolarHBondContact CD2-CA 3.3Å; H35-V81 HydrophobicContact CB-CG2 4.45Å
36	A	95.6	Very high	94.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-33.1	179.2	0	0	0	0	0	112.8	V19 V31 K32 R33 T38 S39 I42	V19-A36 HydrophobicContact CG2-CB 3.47Å; V19-A36 VanDerWaalsContact CG2-CB 3.47Å; V31-A36 HydrophobicContact CG2-CB 3.83Å; K32-A36 PolarHBondContact O-N 2.69Å; R33-A36 PolarHBondContact O-N 3.48Å; R33-A36 VanDerWaalsContact O-N 3.09Å; A36-T38 PolarHBondContact O-N 3.37Å; A36-S39 PolarHBondContact O-N 3.2Å; A36-I42 HydrophobicContact CB-CG2 4.1Å
37	L	93.8	Very high	93.5	Very high	63 Å²	63	49 Å²	49	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-0.8	174.7	-64.1	179.7	0	0	0	114.3	R33 H35 S39 K43 L46	R33-L37 HydrophobicContact CG-CD1 4.2Å; R33-L37 HydrophobicContact CG-CG 4.31Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.47Å; R33-L37 PolarHBondContact O-N 2.81Å; H35-L37 PolarHBondContact O-N 2.86Å; L37-S39 PolarHBondContact O-N 3Å; L37-K43 HydrophobicContact CD2-CB 3.74Å; L37-K43 HydrophobicContact CD2-CG 3.93Å; L37-L46 HydrophobicContact CD2-CD1 4.29Å
38	T	95.8	Very high	92.1	Very high	28 Å²	28	45.3 Å²	45.3	17%	0.172	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32	163	-69.3	0	0	0	0	112.2	H35 A36 Y76 F77 K80 C112	H35-T38 WeakPolarHBondContact O-CB 3.44Å; H35-T38 PolarHBondContact O-N 3.41Å; H35-T38 PolarHBondContact O-OG1 2.94Å; A36-T38 PolarHBondContact O-N 3.37Å; T38-Y76 HydrophobicContact CG2-CE1 4.38Å; T38-F77 HydrophobicContact CG2-CD1 3.71Å; T38-F77 HydrophobicContact CG2-CE1 4.17Å; T38-K80 HydrophobicContact CG2-CB 4.31Å; T38-K80 HydrophobicContact CG2-CD 3.21Å; T38-K80 HydrophobicContact CG2-CG 4.36Å; T38-C112 HydrophobicContact CG2-CB 4.3Å
39	S	96.7	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-86.2	123.9	176.4	160.7	0	0	0	0	110.3	A36 L37 T41 I42 K43 L110	A36-S39 PolarHBondContact O-N 3.2Å; L37-S39 PolarHBondContact O-N 3Å; S39-T41 VanDerWaalsContact C-N 3.27Å; S39-T41 PolarHBondContact O-N 2.85Å; S39-T41 PolarHBondContact OG-N 2.96Å; S39-I42 PolarHBondContact O-N 2.83Å; S39-I42 WeakPolarHBondContact OG-CG1 3.44Å; S39-I42 PolarHBondContact OG-N 3.34Å; S39-K43 WeakPolarHBondContact O-CB 3.27Å; S39-K43 PolarHBondContact O-N 3.3Å; S39-L110 WeakPolarHBondContact CA-O 3.46Å; S39-L110 VanDerWaalsContact CB-O 3.27Å; S39-L110 WeakPolarHBondContact CB-O 3.22Å; S39-L110 PolarHBondContact OG-O 3.36Å
40	G	94.5	Very high	88.4	Confident	30 Å²	30	47.8 Å²	47.8	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-39.4	174.2	0	0	0	0	0	111.9	K43 A44 L110 D111	G40-K43 PolarHBondContact O-N 3.26Å; G40-A44 WeakPolarHBondContact O-CB 3.49Å; G40-A44 PolarHBondContact O-N 2.9Å; G40-L110 PolarHBondContact N-O 2.99Å; G40-D111 PolarHBondContact N-O 3.1Å; G40-D111 VanDerWaalsContact N-O 3.08Å
41	T	94.1	Very high	86.3	Confident	34 Å²	34	50.2 Å²	50.2	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-50.2	178.1	-57.8	0	0	0	0	112.1	S39 K43 A44 M45 F109 L110	S39-T41 VanDerWaalsContact C-N 3.27Å; S39-T41 PolarHBondContact O-N 2.85Å; S39-T41 PolarHBondContact OG-N 2.96Å; T41-K43 VanDerWaalsContact C-N 3.28Å; T41-K43 PolarHBondContact O-N 2.92Å; T41-A44 WeakPolarHBondContact O-CB 3.47Å; T41-A44 PolarHBondContact O-N 2.81Å; T41-A44 VanDerWaalsContact O-N 3.11Å; T41-M45 HydrophobicContact CG2-SD 4.25Å; T41-M45 WeakPolarHBondContact O-CG 3.38Å; T41-M45 PolarHBondContact O-N 3.42Å; T41-F109 HydrophobicContact CG2-CE1 4.16Å; T41-F109 HydrophobicContact CG2-CZ 4.08Å; T41-F109 PolarHBondContact OG1-O 3.27Å; T41-L110 PolarHBondContact N-O 3.34Å
42	I	93.5	Very high	84.2	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-41.4	177.4	-67	174.1	0	0	0	110.6	L21 A36 S39 A44 M45 L46 F62 F77 L110	L21-I42 HydrophobicContact CD1-CD1 4.04Å; L21-I42 HydrophobicContact CD2-CD1 4.1Å; A36-I42 HydrophobicContact CB-CG2 4.1Å; S39-I42 PolarHBondContact O-N 2.83Å; S39-I42 WeakPolarHBondContact OG-CG1 3.44Å; S39-I42 PolarHBondContact OG-N 3.34Å; I42-A44 VanDerWaalsContact C-N 3.31Å; I42-A44 PolarHBondContact O-N 3.35Å; I42-M45 PolarHBondContact O-N 2.99Å; I42-L46 HydrophobicContact CG2-CD1 3.63Å; I42-L46 HydrophobicContact CG2-CG 4.17Å; I42-L46 WeakPolarHBondContact O-CB 3.38Å; I42-L46 WeakPolarHBondContact O-CG 3.18Å; I42-L46 PolarHBondContact O-N 2.79Å; I42-F62 HydrophobicContact CD1-CZ 3.85Å; I42-F62 HydrophobicContact CG1-CE1 4.47Å; I42-F62 HydrophobicContact CG1-CZ 3.82Å; I42-F77 HydrophobicContact CD1-CE2 3.7Å; I42-F77 HydrophobicContact CD1-CZ 3.65Å; I42-L110 HydrophobicContact CD1-CD2 4.36Å; I42-L110 HydrophobicContact CG1-CD2 4.18Å
43	K	92	Very high	82.4	Confident	117 Å²	117	61.2 Å²	61.2	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-59	-43.3	174.9	177.3	174.8	-177.5	-176.5	0	112	L37 S39 G40 T41 L46 S47	L37-K43 HydrophobicContact CD2-CB 3.74Å; L37-K43 HydrophobicContact CD2-CG 3.93Å; S39-K43 WeakPolarHBondContact O-CB 3.27Å; S39-K43 PolarHBondContact O-N 3.3Å; G40-K43 PolarHBondContact O-N 3.26Å; T41-K43 VanDerWaalsContact C-N 3.28Å; T41-K43 PolarHBondContact O-N 2.92Å; K43-L46 PolarHBondContact O-N 3.47Å; K43-S47 VanDerWaalsContact O-CB 3.24Å; K43-S47 WeakPolarHBondContact O-CB 3.35Å; K43-S47 PolarHBondContact O-N 3Å; K43-S47 VanDerWaalsContact O-N 3.14Å; K43-S47 PolarHBondContact O-OG 2.55Å
44	A	90.2	Very high	80.7	Confident	62 Å²	62	61.2 Å²	61.2	51%	0.512	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-40.9	177.5	0	0	0	0	0	112	G40 T41 I42 S47 G48	G40-A44 WeakPolarHBondContact O-CB 3.49Å; G40-A44 PolarHBondContact O-N 2.9Å; T41-A44 WeakPolarHBondContact O-CB 3.47Å; T41-A44 PolarHBondContact O-N 2.81Å; T41-A44 VanDerWaalsContact O-N 3.11Å; I42-A44 VanDerWaalsContact C-N 3.31Å; I42-A44 PolarHBondContact O-N 3.35Å; A44-S47 PolarHBondContact O-N 3.5Å; A44-G48 WeakPolarHBondContact O-CA 3.22Å; A44-G48 PolarHBondContact O-N 3.38Å
45	M	89	Confident	79	Confident	35 Å²	35	57.6 Å²	57.6	17%	0.172	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-45.3	176.3	-66.1	177.5	75.9	0	0	111.5	T41 I42 S47 N55 V60	T41-M45 HydrophobicContact CG2-SD 4.25Å; T41-M45 WeakPolarHBondContact O-CG 3.38Å; T41-M45 PolarHBondContact O-N 3.42Å; I42-M45 PolarHBondContact O-N 2.99Å; M45-S47 VanDerWaalsContact C-N 3.28Å; M45-S47 PolarHBondContact O-N 3.08Å; M45-N55 PolarHBondContact O-OD1 3.27Å; M45-V60 HydrophobicContact CE-CG1 3.61Å; M45-V60 HydrophobicContact SD-CG1 3.76Å
46	L	86.9	Confident	77.5	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.037	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.7	180	-65.2	174	0	0	0	115	V19 L37 I42 K43 N55 V60	V19-L46 HydrophobicContact CB-CD1 4.46Å; V19-L46 HydrophobicContact CG1-CD1 3.75Å; V19-L46 HydrophobicContact CG1-CD2 4.41Å; L37-L46 HydrophobicContact CD2-CD1 4.29Å; I42-L46 HydrophobicContact CG2-CD1 3.63Å; I42-L46 HydrophobicContact CG2-CG 4.17Å; I42-L46 WeakPolarHBondContact O-CB 3.38Å; I42-L46 WeakPolarHBondContact O-CG 3.18Å; I42-L46 PolarHBondContact O-N 2.79Å; K43-L46 PolarHBondContact O-N 3.47Å; L46-N55 WeakPolarHBondContact CA-OD1 3.48Å; L46-N55 PolarHBondContact O-OD1 3.11Å; L46-V60 HydrophobicContact CD2-CG2 3.94Å; L46-V60 HydrophobicContact CG-CG2 4.23Å
47	S	80.6	Confident	76.5	Confident	84 Å²	84	66 Å²	66	59%	0.587	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.9	-1.8	-177.4	-60.4	0	0	0	0	113.6	K43 A44 M45	K43-S47 VanDerWaalsContact O-CB 3.24Å; K43-S47 WeakPolarHBondContact O-CB 3.35Å; K43-S47 PolarHBondContact O-N 3Å; K43-S47 VanDerWaalsContact O-N 3.14Å; K43-S47 PolarHBondContact O-OG 2.55Å; A44-S47 PolarHBondContact O-N 3.5Å; M45-S47 VanDerWaalsContact C-N 3.28Å; M45-S47 PolarHBondContact O-N 3.08Å
48	G	70.1	Confident	76	Confident	20 Å²	20	63 Å²	63	21%	0.206	36%	0.364	C	S	.	.			trans	-73.1	141.7	-171	0	0	0	0	0	113.7	A44 G50	A44-G48 WeakPolarHBondContact O-CA 3.22Å; A44-G48 PolarHBondContact O-N 3.38Å; G48-G50 PolarHBondContact O-N 3.44Å
49	P	59.5	Low	75.8	Confident	142 Å²	142	64.7 Å²	64.7	92%	0.922	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	114.2	171.2	28.3	-31.1	0	0	0	110.3
50	G	56	Low	75.6	Confident	64 Å²	64	64.7 Å²	64.7	66%	0.66	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.3	0.5	171.3	0	0	0	0	0	116.8	G48	G48-G50 PolarHBondContact O-N 3.44Å
51	Q	51.3	Low	75.6	Confident	95 Å²	95	67 Å²	67	44%	0.444	38%	0.375	S	S	.	.			trans	-112	74.5	170.9	-78	168.7	-30.3	0	0	109.2	E53	Q51-E53 VanDerWaalsContact C-N 3.25Å; Q51-E53 PolarHBondContact O-N 2.94Å
52	F	52.3	Low	75.6	Confident	161 Å²	161	65.6 Å²	65.6	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-61.7	-33.1	178.7	-86.4	-95	0	0	0	112.1	E56	F52-E56 WeakPolarHBondContact O-CB 3.26Å; F52-E56 WeakPolarHBondContact O-CG 3.49Å; F52-E56 PolarHBondContact O-N 3.37Å
53	E	56.9	Low	75.7	Confident	166 Å²	166	76.2 Å²	76.2	78%	0.776	41%	0.406	S	S	*	.	H	α-helix	trans	-70.4	-45.9	-175.7	-64.4	-174.7	108.5	0	0	113.1	Q51 T57	Q51-E53 VanDerWaalsContact C-N 3.25Å; Q51-E53 PolarHBondContact O-N 2.94Å; E53-T57 WeakPolarHBondContact O-CG2 3.44Å; E53-T57 PolarHBondContact O-N 3.31Å; E53-T57 PolarHBondContact O-OG1 2.99Å
54	E	55	Low	75.9	Confident	39 Å²	39	79 Å²	79	18%	0.182	42%	0.421	C	S	.	.	H	α-helix	trans	-72.8	-32.1	-177.9	-65.9	-173	128.7	0	0	112.7	N58	E54-N58 VanDerWaalsContact O-CA 3.28Å; E54-N58 WeakPolarHBondContact O-CA 3.38Å; E54-N58 PolarHBondContact O-N 3.3Å
55	N	57.9	Low	76.2	Confident	40 Å²	40	76.4 Å²	76.4	21%	0.214	40%	0.398	C	S	.	.	H	α-helix	trans	-73.1	-30.7	177.5	-77.2	-17	0	0	0	113	M45 L46	M45-N55 PolarHBondContact O-OD1 3.27Å; L46-N55 WeakPolarHBondContact CA-OD1 3.48Å; L46-N55 PolarHBondContact O-OD1 3.11Å
56	E	65.9	Low	76.7	Confident	134 Å²	134	76 Å²	76	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-76	-38.2	176.6	-74.2	-172.5	153.1	0	0	111.6	G13 F52	G13-E56 PolarHBondContact N-O 3.4Å; F52-E56 WeakPolarHBondContact O-CB 3.26Å; F52-E56 WeakPolarHBondContact O-CG 3.49Å; F52-E56 PolarHBondContact O-N 3.37Å
57	T	73.7	Confident	77.2	Confident	64 Å²	64	76.7 Å²	76.7	39%	0.393	40%	0.404	S	S	.	.	H	α-helix	trans	-90.8	-17.3	-177.4	64.7	0	0	0	0	114.1	E53 E59	E53-T57 WeakPolarHBondContact O-CG2 3.44Å; E53-T57 PolarHBondContact O-N 3.31Å; E53-T57 PolarHBondContact O-OG1 2.99Å; T57-E59 WeakPolarHBondContact O-CG 3.49Å; T57-E59 PolarHBondContact O-N 3.37Å; T57-E59 PolarHBondContact OG1-N 3.29Å
58	N	84.8	Confident	78	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	33.2	-170.4	-58.8	-76.4	0	0	0	113.4	C11 G13 A16 V19 K20 R33 E54	C11-N58 WeakPolarHBondContact O-CB 3.44Å; C11-N58 PolarHBondContact O-ND2 3.36Å; G13-N58 PolarHBondContact N-ND2 3.02Å; G13-N58 PolarHBondContact O-ND2 3.42Å; G13-N58 PolarHBondContact O-OD1 3.32Å; A16-N58 HydrophobicContact CB-CB 4.4Å; A16-N58 VanDerWaalsContact CB-ND2 3.28Å; A16-N58 WeakPolarHBondContact CB-ND2 3.49Å; V19-N58 CarbonylContact C-O 3.5Å; V19-N58 WeakPolarHBondContact CA-O 3.27Å; V19-N58 WeakPolarHBondContact CB-O 3.34Å; V19-N58 HydrophobicContact CG1-CB 4.22Å; K20-N58 PolarHBondContact N-O 2.94Å; R33-N58 VanDerWaalsContact CZ-OD1 3.26Å; R33-N58 PolarHBondContact NH1-OD1 3.08Å; R33-N58 PolarHBondContact NH2-OD1 3.39Å; E54-N58 VanDerWaalsContact O-CA 3.28Å; E54-N58 WeakPolarHBondContact O-CA 3.38Å; E54-N58 PolarHBondContact O-N 3.3Å
59	E	91.1	Very high	79.4	Confident	64 Å²	64	76 Å²	76	30%	0.299	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.2	176.3	-53.8	-167.1	156.1	0	0	110.1	K20 I22 T57	K20-E59 HydrophobicContact CB-CB 4.49Å; K20-E59 HydrophobicContact CB-CG 4.06Å; K20-E59 HydrophobicContact CD-CG 4.09Å; K20-E59 WeakPolarHBondContact CD-OE1 3.2Å; K20-E59 VanDerWaalsContact CE-OE1 3.26Å; K20-E59 WeakPolarHBondContact CE-OE1 3.41Å; K20-E59 IonicContact NZ-OE1 3.7Å; K20-E59 PolarHBondContact NZ-OE1 3.27Å; K20-E59 CarbonylContact O-C 3.55Å; K20-E59 WeakPolarHBondContact O-CA 3.33Å; I22-E59 HydrophobicContact CD1-CB 4.47Å; T57-E59 WeakPolarHBondContact O-CG 3.49Å; T57-E59 PolarHBondContact O-N 3.37Å; T57-E59 PolarHBondContact OG1-N 3.29Å
60	V	92.6	Very high	81.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.5	175.3	175.8	0	0	0	0	108.4	K20 L21 I22 M45 L46 F62	K20-V60 PolarHBondContact O-N 3.36Å; L21-V60 HydrophobicContact CD2-CB 3.82Å; L21-V60 HydrophobicContact CD2-CG1 4.45Å; L21-V60 HydrophobicContact CD2-CG2 4.24Å; I22-V60 PolarHBondContact N-O 3.48Å; M45-V60 HydrophobicContact CE-CG1 3.61Å; M45-V60 HydrophobicContact SD-CG1 3.76Å; L46-V60 HydrophobicContact CD2-CG2 3.94Å; L46-V60 HydrophobicContact CG-CG2 4.23Å; V60-F62 HydrophobicContact CB-CZ 4.46Å; V60-F62 HydrophobicContact CG1-CD1 4.35Å; V60-F62 HydrophobicContact CG1-CE1 3.7Å; V60-F62 HydrophobicContact CG1-CE2 3.91Å; V60-F62 HydrophobicContact CG1-CZ 3.47Å; V60-F62 VanDerWaalsContact CG1-CZ 3.47Å
61	N	93.9	Very high	83.2	Confident	78 Å²	78	67.9 Å²	67.9	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.5	-179.1	-167.6	-71.3	0	0	0	112
62	F	95.5	Very high	85.5	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.026	31%	0.307	C	S	.	.			trans	-99.5	100.9	177.7	-61	-66.7	0	0	0	111.3	L21 I22 S23 S24 I42 V60 E64 I65 L70 F109 L110	L21-F62 HydrophobicContact CB-CE2 4.02Å; L21-F62 HydrophobicContact CD1-CE2 4.38Å; L21-F62 HydrophobicContact CD2-CE2 4.04Å; L21-F62 HydrophobicContact CD2-CZ 4.4Å; L21-F62 HydrophobicContact CG-CE2 4.36Å; I22-F62 PolarHBondContact O-N 2.8Å; S23-F62 CarbonylContact C-O 3.57Å; S24-F62 WeakPolarHBondContact CA-O 3.24Å; S24-F62 WeakPolarHBondContact CB-O 3.24Å; S24-F62 PolarHBondContact N-O 2.97Å; I42-F62 HydrophobicContact CD1-CZ 3.85Å; I42-F62 HydrophobicContact CG1-CE1 4.47Å; I42-F62 HydrophobicContact CG1-CZ 3.82Å; V60-F62 HydrophobicContact CB-CZ 4.46Å; V60-F62 HydrophobicContact CG1-CD1 4.35Å; V60-F62 HydrophobicContact CG1-CE1 3.7Å; V60-F62 HydrophobicContact CG1-CE2 3.91Å; V60-F62 HydrophobicContact CG1-CZ 3.47Å; V60-F62 VanDerWaalsContact CG1-CZ 3.47Å; F62-E64 PolarHBondContact O-N 2.85Å; F62-I65 HydrophobicContact CB-CB 3.82Å; F62-I65 HydrophobicContact CB-CD1 4.11Å; F62-I65 HydrophobicContact CB-CG1 3.99Å; F62-I65 HydrophobicContact CD1-CD1 3.79Å; F62-I65 HydrophobicContact CE1-CD1 4.36Å; F62-I65 HydrophobicContact CG-CB 4.41Å; F62-I65 HydrophobicContact CG-CD1 3.91Å; F62-I65 HydrophobicContact CG-CG1 4.35Å; F62-L70 HydrophobicContact CD2-CD1 3.85Å; F62-L70 HydrophobicContact CD2-CD2 3.84Å; F62-L70 HydrophobicContact CE2-CD1 3.78Å; F62-L70 HydrophobicContact CE2-CD2 4.36Å; F62-F109 HydrophobicContact CD1-CE1 4.15Å; F62-F109 HydrophobicContact CE1-CE1 4.22Å; F62-L110 HydrophobicContact CD1-CD2 4.3Å; F62-L110 HydrophobicContact CE1-CD2 3.44Å; F62-L110 VanDerWaalsContact CE1-CD2 3.44Å; F62-L110 HydrophobicContact CZ-CD2 3.73Å
63	R	94.9	Very high	87.7	Confident	223 Å²	223	57 Å²	57	84%	0.842	27%	0.274	S	S	*	.	S	Bend	trans	-68.3	-19.8	-179.2	-62.4	-177.9	-175.6	165	2.5	114.7	S24	S24-R63 WeakPolarHBondContact CB-O 3.25Å
64	E	95.5	Very high	89.6	Confident	175 Å²	175	49.8 Å²	49.8	82%	0.818	24%	0.241	S	C	*	.	S	Bend	trans	-117.9	-4.1	-173.7	-61.8	-174.6	110.3	0	0	113.7	F62	F62-E64 PolarHBondContact O-N 2.85Å
65	I	97.9	Very high	91.7	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.041	26%	0.255	C	S	.	.			trans	-106	112.2	-178.1	-51.7	-179.2	0	0	0	109	S23 S24 F62 V69 L70 A106 F109 L110	S23-I65 WeakPolarHBondContact CA-O 3.36Å; S23-I65 WeakPolarHBondContact CB-O 3.46Å; S24-I65 PolarHBondContact N-O 3.38Å; S24-I65 VanDerWaalsContact OG-C 3.28Å; S24-I65 PolarHBondContact OG-O 2.93Å; S24-I65 VanDerWaalsContact OG-O 3.11Å; F62-I65 HydrophobicContact CB-CB 3.82Å; F62-I65 HydrophobicContact CB-CD1 4.11Å; F62-I65 HydrophobicContact CB-CG1 3.99Å; F62-I65 HydrophobicContact CD1-CD1 3.79Å; F62-I65 HydrophobicContact CE1-CD1 4.36Å; F62-I65 HydrophobicContact CG-CB 4.41Å; F62-I65 HydrophobicContact CG-CD1 3.91Å; F62-I65 HydrophobicContact CG-CG1 4.35Å; I65-V69 HydrophobicContact CG2-CB 3.95Å; I65-V69 HydrophobicContact CG2-CG1 3.87Å; I65-L70 HydrophobicContact CG2-CB 3.91Å; I65-A106 HydrophobicContact CD1-CB 4.16Å; I65-A106 HydrophobicContact CG1-CB 4.44Å; I65-A106 HydrophobicContact CG2-CB 4.4Å; I65-F109 HydrophobicContact CD1-CD1 4.2Å; I65-L110 HydrophobicContact CD1-CD1 4.01Å; I65-L110 HydrophobicContact CD1-CD2 4.22Å; I65-L110 HydrophobicContact CD1-CG 4.14Å
66	P	98.1	Very high	93.6	Very high	26 Å²	26	53.5 Å²	53.5	17%	0.169	26%	0.256	C	S	.	.			trans	-75.2	160.2	176.6	31.7	-35.6	0	0	0	112.2	S24 H68 V69 L70	S24-P66 VanDerWaalsContact OG-CA 3.31Å; S24-P66 WeakPolarHBondContact OG-CA 3.38Å; P66-H68 VanDerWaalsContact C-N 3.32Å; P66-H68 WeakPolarHBondContact CG-CE1 3.34Å; P66-H68 PolarHBondContact O-N 2.68Å; P66-V69 HydrophobicContact CG-CB 4.25Å; P66-V69 HydrophobicContact CG-CG2 3.79Å; P66-V69 PolarHBondContact O-N 3.05Å; P66-L70 PolarHBondContact O-N 2.74Å
67	S	98.4	Very high	95.1	Very high	21 Å²	21	47.1 Å²	47.1	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-55.8	-38.9	-175.2	60.4	0	0	0	0	114.3	D25 H27 V69 L70 S71	D25-S67 VanDerWaalsContact OD1-CB 3.24Å; D25-S67 WeakPolarHBondContact OD1-CB 3.42Å; D25-S67 PolarHBondContact OD1-N 2.96Å; D25-S67 PolarHBondContact OD1-OG 3.25Å; D25-S67 VanDerWaalsContact OD2-CB 3.24Å; D25-S67 WeakPolarHBondContact OD2-CB 3.44Å; D25-S67 PolarHBondContact OD2-OG 3.41Å; H27-S67 WeakPolarHBondContact ND1-CB 3.27Å; S67-V69 PolarHBondContact O-N 3.44Å; S67-L70 PolarHBondContact O-N 2.85Å; S67-S71 WeakPolarHBondContact O-CB 3.42Å; S67-S71 PolarHBondContact O-N 2.88Å
68	H	97.4	Very high	96.3	Very high	88 Å²	88	47.7 Å²	47.7	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-30	179	64.2	-82.3	0	0	0	112.7	P66 E102	P66-H68 VanDerWaalsContact C-N 3.32Å; P66-H68 WeakPolarHBondContact CG-CE1 3.34Å; P66-H68 PolarHBondContact O-N 2.68Å; H68-E102 IonicContact CE1-OE2 3.2Å; H68-E102 IonicContact NE2-OE1 3.3Å; H68-E102 PolarHBondContact NE2-OE1 2.92Å; H68-E102 VanDerWaalsContact NE2-OE1 3.08Å; H68-E102 IonicContact NE2-OE2 3.36Å; H68-E102 PolarHBondContact NE2-OE2 2.73Å
69	V	98.4	Very high	96.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-82.9	-48.3	175.1	-179.3	0	0	0	0	110.4	I65 P66 S67 S71 K72 V73 E102 L103 A106	I65-V69 HydrophobicContact CG2-CB 3.95Å; I65-V69 HydrophobicContact CG2-CG1 3.87Å; P66-V69 HydrophobicContact CG-CB 4.25Å; P66-V69 HydrophobicContact CG-CG2 3.79Å; P66-V69 PolarHBondContact O-N 3.05Å; S67-V69 PolarHBondContact O-N 3.44Å; V69-S71 VanDerWaalsContact C-N 3.29Å; V69-S71 PolarHBondContact O-N 3.04Å; V69-K72 WeakPolarHBondContact O-CA 3.48Å; V69-K72 WeakPolarHBondContact O-CB 3.32Å; V69-K72 PolarHBondContact O-N 3.23Å; V69-V73 PolarHBondContact O-N 3.47Å; V69-E102 HydrophobicContact CG2-CB 3.6Å; V69-L103 HydrophobicContact CG1-CD1 4.06Å; V69-A106 HydrophobicContact CG1-CB 3.67Å
70	L	98.4	Very high	97.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-38.5	-178.4	-175.2	57.1	0	0	0	111.7	L21 F29 F62 I65 P66 S67 K72 V73 C74	L21-L70 HydrophobicContact CB-CD1 4.41Å; L21-L70 HydrophobicContact CB-CD2 4.13Å; L21-L70 HydrophobicContact CD1-CD1 4.38Å; F29-L70 HydrophobicContact CD2-CB 4.38Å; F29-L70 HydrophobicContact CD2-CD2 3.53Å; F29-L70 HydrophobicContact CD2-CG 3.78Å; F29-L70 HydrophobicContact CE2-CB 4.04Å; F29-L70 HydrophobicContact CE2-CD2 3.82Å; F29-L70 HydrophobicContact CE2-CG 3.96Å; F29-L70 HydrophobicContact CG-CD2 4.5Å; F29-L70 HydrophobicContact CG-CG 4.44Å; F62-L70 HydrophobicContact CD2-CD1 3.85Å; F62-L70 HydrophobicContact CD2-CD2 3.84Å; F62-L70 HydrophobicContact CE2-CD1 3.78Å; F62-L70 HydrophobicContact CE2-CD2 4.36Å; I65-L70 HydrophobicContact CG2-CB 3.91Å; P66-L70 PolarHBondContact O-N 2.74Å; S67-L70 PolarHBondContact O-N 2.85Å; L70-K72 PolarHBondContact O-N 3.25Å; L70-V73 HydrophobicContact CD1-CB 4.43Å; L70-V73 HydrophobicContact CD1-CG1 4.48Å; L70-V73 WeakPolarHBondContact O-CB 3.28Å; L70-V73 PolarHBondContact O-N 3.01Å; L70-C74 PolarHBondContact O-N 3.03Å; L70-C74 PolarHBondContact O-SG 2.85Å
71	S	98.1	Very high	97.3	Very high	37 Å²	37	53.1 Å²	53.1	26%	0.259	26%	0.256	S	S	.	.	H	α-helix	trans	-54.6	-43.5	172.3	-175.5	0	0	0	0	111.4	S67 V69 C74 M75	S67-S71 WeakPolarHBondContact O-CB 3.42Å; S67-S71 PolarHBondContact O-N 2.88Å; V69-S71 VanDerWaalsContact C-N 3.29Å; V69-S71 PolarHBondContact O-N 3.04Å; S71-C74 PolarHBondContact O-N 3.43Å; S71-M75 WeakPolarHBondContact O-CG 3.17Å; S71-M75 PolarHBondContact O-N 3.49Å; S71-M75 VanDerWaalsContact O-N 3.08Å
72	K	98.2	Very high	97.4	Very high	26 Å²	26	56.4 Å²	56.4	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-71.2	-37.5	-179.7	-125.5	-41.7	-172.3	-170.5	0	112.7	V69 L70 M75 Y76 F93 P94 I99 L103	V69-K72 WeakPolarHBondContact O-CA 3.48Å; V69-K72 WeakPolarHBondContact O-CB 3.32Å; V69-K72 PolarHBondContact O-N 3.23Å; L70-K72 PolarHBondContact O-N 3.25Å; K72-M75 HydrophobicContact CD-CB 4.28Å; K72-M75 HydrophobicContact CD-SD 4.03Å; K72-M75 WeakPolarHBondContact O-CB 3.44Å; K72-M75 PolarHBondContact O-N 2.95Å; K72-Y76 PolarHBondContact O-N 2.91Å; K72-F93 HydrophobicContact CD-CE1 3.51Å; K72-F93 HydrophobicContact CD-CE2 4.37Å; K72-F93 HydrophobicContact CD-CZ 3.37Å; K72-F93 VanDerWaalsContact NZ-CE2 3.25Å; K72-P94 WeakPolarHBondContact CE-O 3.32Å; K72-P94 PolarHBondContact NZ-O 3.04Å; K72-I99 HydrophobicContact CB-CD1 4.18Å; K72-I99 HydrophobicContact CG-CD1 3.78Å; K72-L103 HydrophobicContact CB-CD1 4.1Å; K72-L103 HydrophobicContact CB-CD2 4.39Å; K72-L103 HydrophobicContact CG-CD2 4.39Å
73	V	98.3	Very high	97.5	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-46.2	171.5	169.2	0	0	0	0	110.8	V69 L70 M75 Y76 F77 L103 A106 L110	V69-V73 PolarHBondContact O-N 3.47Å; L70-V73 HydrophobicContact CD1-CB 4.43Å; L70-V73 HydrophobicContact CD1-CG1 4.48Å; L70-V73 WeakPolarHBondContact O-CB 3.28Å; L70-V73 PolarHBondContact O-N 3.01Å; V73-M75 VanDerWaalsContact C-N 3.33Å; V73-M75 PolarHBondContact O-N 2.93Å; V73-Y76 WeakPolarHBondContact O-CA 3.33Å; V73-Y76 WeakPolarHBondContact O-CB 3.32Å; V73-Y76 PolarHBondContact O-N 3.31Å; V73-F77 HydrophobicContact CG1-CD1 4.46Å; V73-F77 HydrophobicContact CG1-CD2 4.49Å; V73-F77 HydrophobicContact CG1-CE1 3.74Å; V73-F77 HydrophobicContact CG1-CE2 3.77Å; V73-F77 HydrophobicContact CG1-CZ 3.35Å; V73-F77 WeakPolarHBondContact O-CG 3.24Å; V73-F77 PolarHBondContact O-N 2.98Å; V73-L103 HydrophobicContact CG2-CD1 3.72Å; V73-A106 HydrophobicContact CG2-CB 4.43Å; V73-L110 HydrophobicContact CB-CD1 4.38Å; V73-L110 HydrophobicContact CG1-CD1 3.52Å; V73-L110 HydrophobicContact CG2-CD1 4.01Å
74	C	98.2	Very high	97.5	Very high	13 Å²	13	52 Å²	52	9%	0.088	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-42.8	176.7	-67.9	0	0	0	0	112	V31 L70 S71 Y76 F77 T78	V31-C74 HydrophobicContact CG1-CB 3.93Å; L70-C74 PolarHBondContact O-N 3.03Å; L70-C74 PolarHBondContact O-SG 2.85Å; S71-C74 PolarHBondContact O-N 3.43Å; C74-Y76 VanDerWaalsContact C-N 3.28Å; C74-Y76 PolarHBondContact O-N 3.37Å; C74-F77 PolarHBondContact O-N 3.19Å; C74-T78 PolarHBondContact O-N 3.14Å
75	M	98.1	Very high	97.4	Very high	99 Å²	99	51.4 Å²	51.4	49%	0.488	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-38.5	173.3	-65.5	175.7	-166	0	0	111.9	S71 K72 V73 T78 Y79 F93	S71-M75 WeakPolarHBondContact O-CG 3.17Å; S71-M75 PolarHBondContact O-N 3.49Å; S71-M75 VanDerWaalsContact O-N 3.08Å; K72-M75 HydrophobicContact CD-CB 4.28Å; K72-M75 HydrophobicContact CD-SD 4.03Å; K72-M75 WeakPolarHBondContact O-CB 3.44Å; K72-M75 PolarHBondContact O-N 2.95Å; V73-M75 VanDerWaalsContact C-N 3.33Å; V73-M75 PolarHBondContact O-N 2.93Å; M75-T78 PolarHBondContact O-N 3.34Å; M75-Y79 WeakPolarHBondContact O-CB 3.37Å; M75-Y79 PolarHBondContact O-N 2.8Å; M75-F93 HydrophobicContact CB-CE2 4.06Å; M75-F93 HydrophobicContact CB-CZ 4.02Å
76	Y	98.4	Very high	97.2	Very high	58 Å²	58	52.6 Å²	52.6	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-38.9	177.9	171.9	-109.8	0	0	0	111.6	T38 K72 V73 C74 T78 Y79 K80 F93 C112	T38-Y76 HydrophobicContact CG2-CE1 4.38Å; K72-Y76 PolarHBondContact O-N 2.91Å; V73-Y76 WeakPolarHBondContact O-CA 3.33Å; V73-Y76 WeakPolarHBondContact O-CB 3.32Å; V73-Y76 PolarHBondContact O-N 3.31Å; C74-Y76 VanDerWaalsContact C-N 3.28Å; C74-Y76 PolarHBondContact O-N 3.37Å; Y76-T78 PolarHBondContact O-N 2.77Å; Y76-Y79 HydrophobicContact CD2-CD1 4.17Å; Y76-Y79 HydrophobicContact CE2-CD1 4.4Å; Y76-Y79 WeakPolarHBondContact O-CB 3.12Å; Y76-Y79 PolarHBondContact O-N 2.93Å; Y76-K80 HydrophobicContact CE1-CD 4.17Å; Y76-K80 HydrophobicContact CE2-CB 4.27Å; Y76-K80 WeakPolarHBondContact O-CB 3.47Å; Y76-K80 PolarHBondContact O-N 3.4Å; Y76-F93 VanDerWaalsContact CA-CZ 3.5Å; Y76-F93 HydrophobicContact CD2-CE1 4.47Å; Y76-C112 HydrophobicContact CE1-CB 4.02Å; Y76-C112 VanDerWaalsContact CE1-OXT 3.27Å; Y76-C112 WeakPolarHBondContact CE1-OXT 3.48Å; Y76-C112 PolarHBondContact OH-OXT 2.87Å
77	F	98.3	Very high	97.1	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-47.4	175.1	-63.2	-21.7	0	0	0	112.1	L21 H35 T38 I42 V73 C74 K80 V81 C112	L21-F77 HydrophobicContact CD1-CE2 3.97Å; H35-F77 HydrophobicContact CB-CB 4.1Å; T38-F77 HydrophobicContact CG2-CD1 3.71Å; T38-F77 HydrophobicContact CG2-CE1 4.17Å; I42-F77 HydrophobicContact CD1-CE2 3.7Å; I42-F77 HydrophobicContact CD1-CZ 3.65Å; V73-F77 HydrophobicContact CG1-CD1 4.46Å; V73-F77 HydrophobicContact CG1-CD2 4.49Å; V73-F77 HydrophobicContact CG1-CE1 3.74Å; V73-F77 HydrophobicContact CG1-CE2 3.77Å; V73-F77 HydrophobicContact CG1-CZ 3.35Å; V73-F77 WeakPolarHBondContact O-CG 3.24Å; V73-F77 PolarHBondContact O-N 2.98Å; C74-F77 PolarHBondContact O-N 3.19Å; F77-K80 PolarHBondContact O-N 3.03Å; F77-V81 WeakPolarHBondContact O-CG2 3.02Å; F77-V81 PolarHBondContact O-N 3.46Å; F77-C112 HydrophobicContact CE1-CB 4.09Å
78	T	97	Very high	96.8	Very high	76 Å²	76	60.4 Å²	60.4	47%	0.466	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-43.8	174.2	-55.7	0	0	0	0	112.3	H35 C74 M75 Y76 R82	H35-T78 VanDerWaalsContact CD2-CA 3.48Å; H35-T78 WeakPolarHBondContact CD2-CA 3.3Å; C74-T78 PolarHBondContact O-N 3.14Å; M75-T78 PolarHBondContact O-N 3.34Å; Y76-T78 PolarHBondContact O-N 2.77Å; T78-R82 WeakPolarHBondContact O-CB 3.48Å; T78-R82 PolarHBondContact O-N 2.78Å
79	Y	97.8	Very high	96.7	Very high	52 Å²	52	65 Å²	65	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-51.1	177.4	173.5	-87.9	0	0	0	111.5	M75 Y76 V81 R82 Y83 I90 P91 F93	M75-Y79 WeakPolarHBondContact O-CB 3.37Å; M75-Y79 PolarHBondContact O-N 2.8Å; Y76-Y79 HydrophobicContact CD2-CD1 4.17Å; Y76-Y79 HydrophobicContact CE2-CD1 4.4Å; Y76-Y79 WeakPolarHBondContact O-CB 3.12Å; Y76-Y79 PolarHBondContact O-N 2.93Å; Y79-V81 PolarHBondContact O-N 2.82Å; Y79-R82 PolarHBondContact O-N 2.94Å; Y79-Y83 HydrophobicContact CD1-CD2 4.4Å; Y79-Y83 AromaticContact CD2-CD2 3.42Å; Y79-Y83 HydrophobicContact CD2-CD2 3.42Å; Y79-Y83 VanDerWaalsContact CD2-CD2 3.42Å; Y79-Y83 AromaticContact CD2-CE2 3.52Å; Y79-Y83 HydrophobicContact CD2-CE2 3.52Å; Y79-Y83 HydrophobicContact CE1-CD2 4.45Å; Y79-Y83 AromaticContact CE2-CD2 3.5Å; Y79-Y83 HydrophobicContact CE2-CD2 3.5Å; Y79-Y83 VanDerWaalsContact CE2-CD2 3.5Å; Y79-Y83 AromaticContact CE2-CE2 3.7Å; Y79-Y83 HydrophobicContact CE2-CE2 3.7Å; Y79-Y83 HydrophobicContact CE2-CG 4.44Å; Y79-Y83 AromaticContact CG-CD2 3.91Å; Y79-Y83 HydrophobicContact CG-CD2 3.91Å; Y79-Y83 HydrophobicContact CG-CE2 4.34Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.23Å; Y79-Y83 PolarHBondContact O-N 3.19Å; Y79-I90 WeakPolarHBondContact OH-CG2 3.19Å; Y79-P91 HydrophobicContact CE2-CG 4.39Å; Y79-P91 WeakPolarHBondContact CE2-O 3.37Å; Y79-P91 PolarHBondContact OH-O 3.09Å; Y79-F93 HydrophobicContact CD1-CB 4.47Å; Y79-F93 HydrophobicContact CD1-CD2 4.13Å; Y79-F93 HydrophobicContact CD1-CG 4.5Å; Y79-F93 HydrophobicContact CD2-CB 4.3Å; Y79-F93 AromaticContact CD2-CD2 3.67Å; Y79-F93 HydrophobicContact CD2-CD2 3.67Å; Y79-F93 HydrophobicContact CD2-CE2 4.49Å; Y79-F93 HydrophobicContact CD2-CG 4.43Å; Y79-F93 HydrophobicContact CE1-CB 4.2Å; Y79-F93 HydrophobicContact CE2-CB 4Å; Y79-F93 HydrophobicContact CE2-CD2 4.23Å; Y79-F93 AromaticContact CG-CD2 3.61Å; Y79-F93 HydrophobicContact CG-CD2 3.61Å; Y79-F93 HydrophobicContact CG-CE2 4.15Å; Y79-F93 HydrophobicContact CG-CG 4.37Å
80	K	96.8	Very high	96.6	Very high	66 Å²	66	69.1 Å²	69.1	29%	0.287	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-46.8	-178.3	-161.5	-170.8	-167.3	167.5	0	110.7	T38 Y76 F77 R82 Y83 T84 C112	T38-K80 HydrophobicContact CG2-CB 4.31Å; T38-K80 HydrophobicContact CG2-CD 3.21Å; T38-K80 HydrophobicContact CG2-CG 4.36Å; Y76-K80 HydrophobicContact CE1-CD 4.17Å; Y76-K80 HydrophobicContact CE2-CB 4.27Å; Y76-K80 WeakPolarHBondContact O-CB 3.47Å; Y76-K80 PolarHBondContact O-N 3.4Å; F77-K80 PolarHBondContact O-N 3.03Å; K80-R82 PolarHBondContact O-N 3.44Å; K80-Y83 PolarHBondContact O-N 2.85Å; K80-T84 VanDerWaalsContact O-CB 3.23Å; K80-T84 WeakPolarHBondContact O-CB 3.36Å; K80-T84 PolarHBondContact O-N 2.59Å; K80-T84 PolarHBondContact O-OG1 3.47Å; K80-C112 PolarHBondContact NZ-OXT 2.92Å
81	V	96.1	Very high	96.5	Very high	60 Å²	60	71.9 Å²	71.9	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-44.9	176.2	172.5	0	0	0	0	111.4	H35 F77 Y79 Y83	H35-V81 HydrophobicContact CB-CG2 4.45Å; F77-V81 WeakPolarHBondContact O-CG2 3.02Å; F77-V81 PolarHBondContact O-N 3.46Å; Y79-V81 PolarHBondContact O-N 2.82Å; V81-Y83 VanDerWaalsContact C-N 3.33Å; V81-Y83 PolarHBondContact O-N 2.76Å
82	R	95.9	Very high	96.4	Very high	147 Å²	147	78.8 Å²	78.8	56%	0.555	41%	0.407	S	S	*	.	H	α-helix	trans	-64.8	-34.7	-177.4	176.8	58.8	-175.5	80.9	1.1	113.4	T78 Y79 K80	T78-R82 WeakPolarHBondContact O-CB 3.48Å; T78-R82 PolarHBondContact O-N 2.78Å; Y79-R82 PolarHBondContact O-N 2.94Å; K80-R82 PolarHBondContact O-N 3.44Å
83	Y	96.6	Very high	96.4	Very high	56 Å²	56	79.6 Å²	79.6	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-107.6	-9	-172.7	-64.8	-68.6	0	0	0	114.3	Y79 K80 V81 N85 S86 I90 P91	Y79-Y83 HydrophobicContact CD1-CD2 4.4Å; Y79-Y83 AromaticContact CD2-CD2 3.42Å; Y79-Y83 HydrophobicContact CD2-CD2 3.42Å; Y79-Y83 VanDerWaalsContact CD2-CD2 3.42Å; Y79-Y83 AromaticContact CD2-CE2 3.52Å; Y79-Y83 HydrophobicContact CD2-CE2 3.52Å; Y79-Y83 HydrophobicContact CE1-CD2 4.45Å; Y79-Y83 AromaticContact CE2-CD2 3.5Å; Y79-Y83 HydrophobicContact CE2-CD2 3.5Å; Y79-Y83 VanDerWaalsContact CE2-CD2 3.5Å; Y79-Y83 AromaticContact CE2-CE2 3.7Å; Y79-Y83 HydrophobicContact CE2-CE2 3.7Å; Y79-Y83 HydrophobicContact CE2-CG 4.44Å; Y79-Y83 AromaticContact CG-CD2 3.91Å; Y79-Y83 HydrophobicContact CG-CD2 3.91Å; Y79-Y83 HydrophobicContact CG-CE2 4.34Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.23Å; Y79-Y83 PolarHBondContact O-N 3.19Å; K80-Y83 PolarHBondContact O-N 2.85Å; V81-Y83 VanDerWaalsContact C-N 3.33Å; V81-Y83 PolarHBondContact O-N 2.76Å; Y83-N85 PolarHBondContact O-N 2.97Å; Y83-S86 VanDerWaalsContact O-CB 3.26Å; Y83-S86 WeakPolarHBondContact O-CB 3.41Å; Y83-S86 PolarHBondContact O-N 3.2Å; Y83-I90 HydrophobicContact CD1-CG2 4.37Å; Y83-I90 HydrophobicContact CG-CG2 4.14Å; Y83-P91 HydrophobicContact CE1-CG 3.93Å; Y83-P91 HydrophobicContact CE2-CG 3.89Å; Y83-P91 VanDerWaalsContact CZ-CD 3.44Å; Y83-P91 VanDerWaalsContact CZ-CG 3.44Å; Y83-P91 VanDerWaalsContact OH-CG 3.3Å; Y83-P91 WeakPolarHBondContact OH-CG 3.42Å
84	T	94.9	Very high	96.3	Very high	79 Å²	79	84 Å²	84	49%	0.485	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	126.7	168.4	-67.2	0	0	0	0	109.3	K80 S86	K80-T84 VanDerWaalsContact O-CB 3.23Å; K80-T84 WeakPolarHBondContact O-CB 3.36Å; K80-T84 PolarHBondContact O-N 2.59Å; K80-T84 PolarHBondContact O-OG1 3.47Å; T84-S86 PolarHBondContact O-N 3.44Å
85	N	93.9	Very high	96.3	Very high	164 Å²	164	87.5 Å²	87.5	88%	0.877	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	20.2	-175.5	-53.2	-43.6	0	0	0	115	Y83	Y83-N85 PolarHBondContact O-N 2.97Å
86	S	94.1	Very high	96.2	Very high	33 Å²	33	84.9 Å²	84.9	23%	0.231	45%	0.451	C	S	.	.			trans	-68.5	134	174.8	-170.5	0	0	0	0	111	Y83 T84 T88	Y83-S86 VanDerWaalsContact O-CB 3.26Å; Y83-S86 WeakPolarHBondContact O-CB 3.41Å; Y83-S86 PolarHBondContact O-N 3.2Å; T84-S86 PolarHBondContact O-N 3.44Å; S86-T88 VanDerWaalsContact C-N 3.35Å; S86-T88 PolarHBondContact OG-N 3.07Å; S86-T88 PolarHBondContact OG-OG1 2.92Å
87	S	94.7	Very high	96.2	Very high	126 Å²	126	87.3 Å²	87.3	88%	0.881	47%	0.474	S	S	*	.	S	Bend	trans	-90.1	-1.1	173.4	55.7	0	0	0	0	113.3
88	T	93.6	Very high	96.1	Very high	85 Å²	85	94.5 Å²	94.5	52%	0.521	51%	0.507	S	S	.	.	S	Bend	trans	-98.1	164.5	177.5	59.7	0	0	0	0	110.5	S86 I90	S86-T88 VanDerWaalsContact C-N 3.35Å; S86-T88 PolarHBondContact OG-N 3.07Å; S86-T88 PolarHBondContact OG-OG1 2.92Å; T88-I90 PolarHBondContact O-N 3.44Å
89	E	94.6	Very high	96.1	Very high	183 Å²	183	92.2 Å²	92.2	86%	0.855	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-53	130.3	169.7	-173.4	172.6	-158.9	0	0	110.3
90	I	96	Very high	96.1	Very high	89 Å²	89	91.8 Å²	91.8	46%	0.456	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-90.4	116.6	-179	-60.2	175.7	0	0	0	106.8	Y79 Y83 T88	Y79-I90 WeakPolarHBondContact OH-CG2 3.19Å; Y83-I90 HydrophobicContact CD1-CG2 4.37Å; Y83-I90 HydrophobicContact CG-CG2 4.14Å; T88-I90 PolarHBondContact O-N 3.44Å
91	P	96.6	Very high	96.2	Very high	57 Å²	57	95 Å²	95	37%	0.37	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-69.1	153.7	-180	29.2	-33.1	0	0	0	110.6	Y79 Y83	Y79-P91 HydrophobicContact CE2-CG 4.39Å; Y79-P91 WeakPolarHBondContact CE2-O 3.37Å; Y79-P91 PolarHBondContact OH-O 3.09Å; Y83-P91 HydrophobicContact CE1-CG 3.93Å; Y83-P91 HydrophobicContact CE2-CG 3.89Å; Y83-P91 VanDerWaalsContact CZ-CD 3.44Å; Y83-P91 VanDerWaalsContact CZ-CG 3.44Å; Y83-P91 VanDerWaalsContact OH-CG 3.3Å; Y83-P91 WeakPolarHBondContact OH-CG 3.42Å
92	E	97	Very high	96.2	Very high	182 Å²	182	95.5 Å²	95.5	85%	0.85	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.3	142.5	173.5	-66.6	-175.1	-179.9	0	0	111.4	P94	E92-P94 VanDerWaalsContact O-CD 3.22Å; E92-P94 WeakPolarHBondContact O-CD 3.28Å
93	F	97.2	Very high	96.3	Very high	43 Å²	43	89.3 Å²	89.3	19%	0.189	50%	0.495	C	S	.	.			trans	-92.4	102	170.6	-172.8	-104.8	0	0	0	109	K72 M75 Y76 Y79 I95	K72-F93 HydrophobicContact CD-CE1 3.51Å; K72-F93 HydrophobicContact CD-CE2 4.37Å; K72-F93 HydrophobicContact CD-CZ 3.37Å; K72-F93 VanDerWaalsContact NZ-CE2 3.25Å; M75-F93 HydrophobicContact CB-CE2 4.06Å; M75-F93 HydrophobicContact CB-CZ 4.02Å; Y76-F93 VanDerWaalsContact CA-CZ 3.5Å; Y76-F93 HydrophobicContact CD2-CE1 4.47Å; Y79-F93 HydrophobicContact CD1-CB 4.47Å; Y79-F93 HydrophobicContact CD1-CD2 4.13Å; Y79-F93 HydrophobicContact CD1-CG 4.5Å; Y79-F93 HydrophobicContact CD2-CB 4.3Å; Y79-F93 AromaticContact CD2-CD2 3.67Å; Y79-F93 HydrophobicContact CD2-CD2 3.67Å; Y79-F93 HydrophobicContact CD2-CE2 4.49Å; Y79-F93 HydrophobicContact CD2-CG 4.43Å; Y79-F93 HydrophobicContact CE1-CB 4.2Å; Y79-F93 HydrophobicContact CE2-CB 4Å; Y79-F93 HydrophobicContact CE2-CD2 4.23Å; Y79-F93 AromaticContact CG-CD2 3.61Å; Y79-F93 HydrophobicContact CG-CD2 3.61Å; Y79-F93 HydrophobicContact CG-CE2 4.15Å; Y79-F93 HydrophobicContact CG-CG 4.37Å; F93-I95 HydrophobicContact CD1-CD1 4.27Å; F93-I95 HydrophobicContact CD1-CG1 3.98Å; F93-I95 HydrophobicContact CE1-CG1 4.33Å; F93-I95 PolarHBondContact O-N 3.08Å
94	P	97.2	Very high	96.4	Very high	95 Å²	95	92.2 Å²	92.2	62%	0.617	51%	0.514	S	S	*	.			trans	-68.1	130.8	-172.3	26.9	-34.9	0	0	0	110.4	K72 E92	K72-P94 WeakPolarHBondContact CE-O 3.32Å; K72-P94 PolarHBondContact NZ-O 3.04Å; E92-P94 VanDerWaalsContact O-CD 3.22Å; E92-P94 WeakPolarHBondContact O-CD 3.28Å
95	I	97.5	Very high	96.6	Very high	86 Å²	86	94.5 Å²	94.5	44%	0.441	52%	0.52	S	S	.	.			trans	-123.1	124.8	174.9	-63.8	166.8	0	0	0	107.4	F93 I99 A100 L103	F93-I95 HydrophobicContact CD1-CD1 4.27Å; F93-I95 HydrophobicContact CD1-CG1 3.98Å; F93-I95 HydrophobicContact CE1-CG1 4.33Å; F93-I95 PolarHBondContact O-N 3.08Å; I95-I99 HydrophobicContact CG2-CG1 4.26Å; I95-A100 HydrophobicContact CG2-CB 4.14Å; I95-L103 HydrophobicContact CD1-CD2 3.92Å; I95-L103 HydrophobicContact CG1-CD2 3.88Å; I95-L103 HydrophobicContact CG2-CD2 3.88Å
96	A	96.6	Very high	96.8	Very high	45 Å²	45	87 Å²	87	37%	0.372	48%	0.481	S	S	.	.			trans	-70.3	133.5	175.8	0	0	0	0	0	109.4	E98 I99 A100	A96-E98 WeakPolarHBondContact CB-OE2 3.27Å; A96-E98 PolarHBondContact O-N 3.27Å; A96-E98 VanDerWaalsContact O-N 3.11Å; A96-I99 HydrophobicContact CB-CG1 4.25Å; A96-I99 WeakPolarHBondContact O-CG1 3.04Å; A96-I99 PolarHBondContact O-N 2.86Å; A96-I99 VanDerWaalsContact O-N 3.1Å; A96-A100 PolarHBondContact O-N 2.95Å
97	P	97.5	Very high	96.9	Very high	108 Å²	108	86.8 Å²	86.8	70%	0.701	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-53.6	-33	-179.5	-27.6	35.3	0	0	0	113.6	I99 A100	P97-I99 PolarHBondContact O-N 3.39Å; P97-A100 PolarHBondContact O-N 2.82Å
98	E	97	Very high	97	Very high	153 Å²	153	87.4 Å²	87.4	72%	0.715	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-63.9	-27.8	-177.8	-60.9	75.6	-165.5	0	0	113	A96	A96-E98 WeakPolarHBondContact CB-OE2 3.27Å; A96-E98 PolarHBondContact O-N 3.27Å; A96-E98 VanDerWaalsContact O-N 3.11Å
99	I	97.2	Very high	97.2	Very high	28 Å²	28	88.3 Å²	88.3	14%	0.144	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-107.5	-2.3	-178.3	71.3	169.1	0	0	0	112.8	K72 I95 A96 P97 L101 E102 L103	K72-I99 HydrophobicContact CB-CD1 4.18Å; K72-I99 HydrophobicContact CG-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.26Å; A96-I99 HydrophobicContact CB-CG1 4.25Å; A96-I99 WeakPolarHBondContact O-CG1 3.04Å; A96-I99 PolarHBondContact O-N 2.86Å; A96-I99 VanDerWaalsContact O-N 3.1Å; P97-I99 PolarHBondContact O-N 3.39Å; I99-L101 PolarHBondContact O-N 2.78Å; I99-E102 PolarHBondContact O-N 3.01Å; I99-L103 VanDerWaalsContact O-CB 3.25Å; I99-L103 WeakPolarHBondContact O-CB 3.26Å; I99-L103 PolarHBondContact O-N 2.69Å
100	A	98	Very high	97.3	Very high	42 Å²	42	79.6 Å²	79.6	35%	0.347	43%	0.431	S	S	.	.	H	α-helix	trans	-61.4	-41.3	-167.3	0	0	0	0	0	113.2	I95 A96 P97 L104	I95-A100 HydrophobicContact CG2-CB 4.14Å; A96-A100 PolarHBondContact O-N 2.95Å; P97-A100 PolarHBondContact O-N 2.82Å; A100-L104 WeakPolarHBondContact O-CB 3.28Å; A100-L104 PolarHBondContact O-N 2.7Å
101	L	97.8	Very high	97.3	Very high	135 Å²	135	80.8 Å²	80.8	71%	0.707	44%	0.438	S	S	*	.	H	α-helix	trans	-69.7	-45	178.5	-68.6	177.5	0	0	0	112	I99 L103 L104 M105	I99-L101 PolarHBondContact O-N 2.78Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.39Å; L101-L104 PolarHBondContact O-N 2.99Å; L101-M105 WeakPolarHBondContact O-CG 3.21Å; L101-M105 PolarHBondContact O-N 3.29Å
102	E	97.3	Very high	97.2	Very high	69 Å²	69	79.8 Å²	79.8	32%	0.322	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177	-64.2	-179.8	-100.1	0	0	111.4	H68 V69 I99 L104 M105 A106	H68-E102 IonicContact CE1-OE2 3.2Å; H68-E102 IonicContact NE2-OE1 3.3Å; H68-E102 PolarHBondContact NE2-OE1 2.92Å; H68-E102 VanDerWaalsContact NE2-OE1 3.08Å; H68-E102 IonicContact NE2-OE2 3.36Å; H68-E102 PolarHBondContact NE2-OE2 2.73Å; V69-E102 HydrophobicContact CG2-CB 3.6Å; I99-E102 PolarHBondContact O-N 3.01Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.46Å; E102-M105 HydrophobicContact CB-CE 4.46Å; E102-M105 HydrophobicContact CG-CE 4.29Å; E102-M105 PolarHBondContact O-N 3.26Å; E102-A106 WeakPolarHBondContact O-CB 3.17Å; E102-A106 PolarHBondContact O-N 2.72Å
103	L	98.1	Very high	97.2	Very high	18 Å²	18	74.7 Å²	74.7	9%	0.094	41%	0.411	C	S	.	.	H	α-helix	trans	-64.6	-38.3	176.9	-172.8	61.6	0	0	0	111.9	V69 K72 V73 I95 I99 L101 A106 A107	V69-L103 HydrophobicContact CG1-CD1 4.06Å; K72-L103 HydrophobicContact CB-CD1 4.1Å; K72-L103 HydrophobicContact CB-CD2 4.39Å; K72-L103 HydrophobicContact CG-CD2 4.39Å; V73-L103 HydrophobicContact CG2-CD1 3.72Å; I95-L103 HydrophobicContact CD1-CD2 3.92Å; I95-L103 HydrophobicContact CG1-CD2 3.88Å; I95-L103 HydrophobicContact CG2-CD2 3.88Å; I99-L103 VanDerWaalsContact O-CB 3.25Å; I99-L103 WeakPolarHBondContact O-CB 3.26Å; I99-L103 PolarHBondContact O-N 2.69Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.39Å; L103-A106 PolarHBondContact O-N 3.39Å; L103-A107 VanDerWaalsContact O-CB 3.27Å; L103-A107 WeakPolarHBondContact O-CB 3.15Å; L103-A107 PolarHBondContact O-N 3Å
104	L	98	Very high	97.2	Very high	117 Å²	117	76.3 Å²	76.3	61%	0.613	42%	0.423	S	S	*	.	H	α-helix	trans	-63.6	-43.7	174.2	178.4	63.5	0	0	0	111.9	A100 L101 E102 A107 N108	A100-L104 WeakPolarHBondContact O-CB 3.28Å; A100-L104 PolarHBondContact O-N 2.7Å; L101-L104 PolarHBondContact O-N 2.99Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.46Å; L104-A107 PolarHBondContact O-N 3.29Å; L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.32Å
105	M	97.7	Very high	97.2	Very high	127 Å²	127	75.3 Å²	75.3	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-63.4	-44.8	176.6	-68.5	-174.1	-64.1	0	0	111.4	L101 E102 N108 F109	L101-M105 WeakPolarHBondContact O-CG 3.21Å; L101-M105 PolarHBondContact O-N 3.29Å; E102-M105 HydrophobicContact CB-CE 4.46Å; E102-M105 HydrophobicContact CG-CE 4.29Å; E102-M105 PolarHBondContact O-N 3.26Å; M105-N108 PolarHBondContact O-N 2.74Å; M105-F109 PolarHBondContact O-N 3.41Å
106	A	98	Very high	97.2	Very high	7 Å²	7	74.6 Å²	74.6	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-62.1	-44.4	175.4	0	0	0	0	0	111.8	I65 V69 V73 E102 L103 N108 F109 L110	I65-A106 HydrophobicContact CD1-CB 4.16Å; I65-A106 HydrophobicContact CG1-CB 4.44Å; I65-A106 HydrophobicContact CG2-CB 4.4Å; V69-A106 HydrophobicContact CG1-CB 3.67Å; V73-A106 HydrophobicContact CG2-CB 4.43Å; E102-A106 WeakPolarHBondContact O-CB 3.17Å; E102-A106 PolarHBondContact O-N 2.72Å; L103-A106 PolarHBondContact O-N 3.39Å; A106-N108 VanDerWaalsContact C-N 3.35Å; A106-N108 PolarHBondContact O-N 3.48Å; A106-F109 PolarHBondContact O-N 3.04Å; A106-L110 VanDerWaalsContact O-CB 3.27Å; A106-L110 WeakPolarHBondContact O-CB 3.39Å; A106-L110 WeakPolarHBondContact O-CG 3.49Å; A106-L110 PolarHBondContact O-N 3.17Å
107	A	97.6	Very high	97.2	Very high	28 Å²	28	76.5 Å²	76.5	23%	0.231	41%	0.413	C	S	.	.	H	α-helix	trans	-62	-41.3	178.2	0	0	0	0	0	112.2	L103 L104 L110 D111 C112	L103-A107 VanDerWaalsContact O-CB 3.27Å; L103-A107 WeakPolarHBondContact O-CB 3.15Å; L103-A107 PolarHBondContact O-N 3Å; L104-A107 PolarHBondContact O-N 3.29Å; A107-L110 PolarHBondContact O-N 2.95Å; A107-D111 PolarHBondContact O-N 3.22Å; A107-C112 PolarHBondContact O-N 3.12Å
108	N	97.3	Very high	97.2	Very high	139 Å²	139	74.4 Å²	74.4	74%	0.743	39%	0.394	S	S	*	.	H	α-helix	trans	-63.7	-42.2	175.3	-179.6	83.8	0	0	0	112.1	L104 M105 A106	L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.32Å; M105-N108 PolarHBondContact O-N 2.74Å; A106-N108 VanDerWaalsContact C-N 3.35Å; A106-N108 PolarHBondContact O-N 3.48Å
109	F	96.8	Very high	97.2	Very high	104 Å²	104	68.8 Å²	68.8	46%	0.456	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-40.5	175.7	170.3	-102	0	0	0	112.5	T41 F62 I65 M105 A106 D111	T41-F109 HydrophobicContact CG2-CE1 4.16Å; T41-F109 HydrophobicContact CG2-CZ 4.08Å; T41-F109 PolarHBondContact OG1-O 3.27Å; F62-F109 HydrophobicContact CD1-CE1 4.15Å; F62-F109 HydrophobicContact CE1-CE1 4.22Å; I65-F109 HydrophobicContact CD1-CD1 4.2Å; M105-F109 PolarHBondContact O-N 3.41Å; A106-F109 PolarHBondContact O-N 3.04Å; F109-D111 VanDerWaalsContact C-N 3.3Å; F109-D111 PolarHBondContact O-N 3.4Å
110	L	97.2	Very high	97.2	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-80.6	-9.1	-176.6	-68.2	174.6	0	0	0	113.6	S39 G40 T41 I42 F62 I65 V73 A106 A107	S39-L110 WeakPolarHBondContact CA-O 3.46Å; S39-L110 VanDerWaalsContact CB-O 3.27Å; S39-L110 WeakPolarHBondContact CB-O 3.22Å; S39-L110 PolarHBondContact OG-O 3.36Å; G40-L110 PolarHBondContact N-O 2.99Å; T41-L110 PolarHBondContact N-O 3.34Å; I42-L110 HydrophobicContact CD1-CD2 4.36Å; I42-L110 HydrophobicContact CG1-CD2 4.18Å; F62-L110 HydrophobicContact CD1-CD2 4.3Å; F62-L110 HydrophobicContact CE1-CD2 3.44Å; F62-L110 VanDerWaalsContact CE1-CD2 3.44Å; F62-L110 HydrophobicContact CZ-CD2 3.73Å; I65-L110 HydrophobicContact CD1-CD1 4.01Å; I65-L110 HydrophobicContact CD1-CD2 4.22Å; I65-L110 HydrophobicContact CD1-CG 4.14Å; V73-L110 HydrophobicContact CB-CD1 4.38Å; V73-L110 HydrophobicContact CG1-CD1 3.52Å; V73-L110 HydrophobicContact CG2-CD1 4.01Å; A106-L110 VanDerWaalsContact O-CB 3.27Å; A106-L110 WeakPolarHBondContact O-CB 3.39Å; A106-L110 WeakPolarHBondContact O-CG 3.49Å; A106-L110 PolarHBondContact O-N 3.17Å; A107-L110 PolarHBondContact O-N 2.95Å
111	D	96.8	Very high	97.2	Very high	113 Å²	113	74.4 Å²	74.4	60%	0.604	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	60.5	-177.6	-173.6	38.8	0	0	0	111.4	G40 A107 F109	G40-D111 PolarHBondContact N-O 3.1Å; G40-D111 VanDerWaalsContact N-O 3.08Å; A107-D111 PolarHBondContact O-N 3.22Å; F109-D111 VanDerWaalsContact C-N 3.3Å; F109-D111 PolarHBondContact O-N 3.4Å
112	C	93.5	Very high	97.1	Very high	36 Å²	36	68.9 Å²	68.9	24%	0.243	36%	0.363	C	S	.	.			trans	-139.8	0	-174	70.1	0	0	0	0	115.1	T38 Y76 F77 K80 A107	T38-C112 HydrophobicContact CG2-CB 4.3Å; Y76-C112 HydrophobicContact CE1-CB 4.02Å; Y76-C112 VanDerWaalsContact CE1-OXT 3.27Å; Y76-C112 WeakPolarHBondContact CE1-OXT 3.48Å; Y76-C112 PolarHBondContact OH-OXT 2.87Å; F77-C112 HydrophobicContact CE1-CB 4.09Å; K80-C112 PolarHBondContact NZ-OXT 2.92Å; A107-C112 PolarHBondContact O-N 3.12Å

Retrieved 112 of 112 residues in 61.9 ms (Link to these results)

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