A0A077YX55_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077YX55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 aa.

						>A0A077YX55_TRITR|A0A077YX55
MSWKEVAAFFAIDKLVNAWKIVRQNGGIWRSLVTTYRTDTLKGGRLVGMDSAGNRYYENNGYFIGRNRWVVYNNKVWLNYDASQIPAEWFPWMHHQTDVPPTERKAEKRSWMMAHVENMTGTSEQFVPYSTTRTKIEAWEPSSKR
					

Structure Viewer

Loading PAE data...

(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	70.6	Confident	87.6	Confident	184 Å²	184	104.9 Å²	104.9	91%	0.906	52%	0.517	S	S	*	.				0	121.5	0	-116.1	-177.3	-77.9	0	0	108.5	E5 V6	M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 HydrophobicContact CG-CB 4.15Å; M1-V6 HydrophobicContact CB-CG2 3.9Å; M1-V6 HydrophobicContact CG-CG2 4.33Å; M1-V6 HydrophobicContact SD-CG2 4.05Å
2	S	90.5	Very high	88.1	Confident	64 Å²	64	101.8 Å²	101.8	45%	0.448	50%	0.503	S	S	.	.			trans	-69.3	150.9	172.6	174.4	0	0	0	0	110.6	K4 E5 V6	S2-K4 PolarHBondContact O-N 2.77Å; S2-K4 VanDerWaalsContact O-N 3.13Å; S2-E5 PolarHBondContact N-OE2 2.92Å; S2-E5 WeakPolarHBondContact O-CA 3.16Å; S2-E5 WeakPolarHBondContact O-CB 3.33Å; S2-E5 PolarHBondContact O-N 3.06Å; S2-V6 PolarHBondContact O-N 2.91Å
3	W	84.2	Confident	88	Confident	199 Å²	199	99 Å²	99	75%	0.754	49%	0.491	S	S	*	.	H	α-helix	trans	-53.1	-35.7	177.3	177.9	-106.1	0	0	0	112.9	E5 V6 A7	W3-E5 VanDerWaalsContact C-N 3.35Å; W3-V6 PolarHBondContact O-N 3.41Å; W3-A7 WeakPolarHBondContact O-CB 3.37Å; W3-A7 PolarHBondContact O-N 2.86Å
4	K	87.3	Confident	88.3	Confident	172 Å²	172	101.9 Å²	101.9	75%	0.748	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-38.5	175.8	-67.7	-176.6	178.7	178.8	0	112.4	S2 A8	S2-K4 PolarHBondContact O-N 2.77Å; S2-K4 VanDerWaalsContact O-N 3.13Å; K4-A8 WeakPolarHBondContact O-CB 3.49Å; K4-A8 PolarHBondContact O-N 3.13Å
5	E	90.5	Very high	88.6	Confident	108 Å²	108	103.2 Å²	103.2	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-69.8	-42.1	178.2	-63.1	168.8	165.6	0	0	110.8	M1 S2 W3 A8 F9	M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 HydrophobicContact CG-CB 4.15Å; S2-E5 PolarHBondContact N-OE2 2.92Å; S2-E5 WeakPolarHBondContact O-CA 3.16Å; S2-E5 WeakPolarHBondContact O-CB 3.33Å; S2-E5 PolarHBondContact O-N 3.06Å; W3-E5 VanDerWaalsContact C-N 3.35Å; E5-A8 PolarHBondContact O-N 2.99Å; E5-F9 VanDerWaalsContact O-CB 3.32Å; E5-F9 WeakPolarHBondContact O-CB 3.45Å; E5-F9 PolarHBondContact O-N 3.03Å
6	V	89.2	Confident	88.8	Confident	40 Å²	40	102.6 Å²	102.6	24%	0.242	51%	0.512	C	S	.	.	H	α-helix	trans	-62.9	-47.4	175.7	178.3	0	0	0	0	110.8	M1 S2 W3 A8 F9 F10	M1-V6 HydrophobicContact CB-CG2 3.9Å; M1-V6 HydrophobicContact CG-CG2 4.33Å; M1-V6 HydrophobicContact SD-CG2 4.05Å; S2-V6 PolarHBondContact O-N 2.91Å; W3-V6 PolarHBondContact O-N 3.41Å; V6-A8 VanDerWaalsContact C-N 3.32Å; V6-A8 PolarHBondContact O-N 3.02Å; V6-F9 PolarHBondContact O-N 3.28Å; V6-F10 HydrophobicContact CG1-CD2 3.82Å; V6-F10 HydrophobicContact CG1-CE2 4.05Å; V6-F10 WeakPolarHBondContact O-CD2 3.33Å; V6-F10 PolarHBondContact O-N 3.44Å
7	A	90	Very high	88.9	Confident	12 Å²	12	101.5 Å²	101.5	10%	0.099	51%	0.509	C	S	.	.	H	α-helix	trans	-59.9	-42.4	178	0	0	0	0	0	111.9	W3 F10 A11 I12	W3-A7 WeakPolarHBondContact O-CB 3.37Å; W3-A7 PolarHBondContact O-N 2.86Å; A7-F10 CarbonylContact O-C 3.59Å; A7-A11 CarbonylContact O-C 3.52Å; A7-A11 WeakPolarHBondContact O-CA 3.32Å; A7-A11 PolarHBondContact O-N 3.39Å; A7-I12 HydrophobicContact CB-CB 4.24Å; A7-I12 PolarHBondContact O-N 2.83Å
8	A	88.4	Confident	89.1	Confident	57 Å²	57	98.5 Å²	98.5	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-41.6	176.6	0	0	0	0	0	112.5	K4 E5 V6 F10 A11	K4-A8 WeakPolarHBondContact O-CB 3.49Å; K4-A8 PolarHBondContact O-N 3.13Å; E5-A8 PolarHBondContact O-N 2.99Å; V6-A8 VanDerWaalsContact C-N 3.32Å; V6-A8 PolarHBondContact O-N 3.02Å; A8-F10 VanDerWaalsContact C-N 3.35Å; A8-F10 PolarHBondContact O-N 3.13Å; A8-A11 PolarHBondContact O-N 3.47Å; A8-A11 VanDerWaalsContact O-N 3.13Å
9	F	90	Very high	89.4	Confident	158 Å²	158	101.2 Å²	101.2	69%	0.693	51%	0.505	S	S	*	.	H	α-helix	trans	-59.9	-44.1	177.3	-178.7	-97.1	0	0	0	111.7	E5 V6 A11	E5-F9 VanDerWaalsContact O-CB 3.32Å; E5-F9 WeakPolarHBondContact O-CB 3.45Å; E5-F9 PolarHBondContact O-N 3.03Å; V6-F9 PolarHBondContact O-N 3.28Å; F9-A11 VanDerWaalsContact C-N 3.33Å
10	F	92.4	Very high	89.6	Confident	129 Å²	129	102.3 Å²	102.3	57%	0.566	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	6.5	176.4	-70.5	-71	0	0	0	114.3	V6 A7 A8 I12	V6-F10 HydrophobicContact CG1-CD2 3.82Å; V6-F10 HydrophobicContact CG1-CE2 4.05Å; V6-F10 WeakPolarHBondContact O-CD2 3.33Å; V6-F10 PolarHBondContact O-N 3.44Å; A7-F10 CarbonylContact O-C 3.59Å; A8-F10 VanDerWaalsContact C-N 3.35Å; A8-F10 PolarHBondContact O-N 3.13Å; F10-I12 HydrophobicContact CB-CD1 3.95Å; F10-I12 HydrophobicContact CB-CG1 3.87Å; F10-I12 PolarHBondContact O-N 3.04Å
11	A	91.1	Very high	89.8	Confident	31 Å²	31	98.9 Å²	98.9	26%	0.256	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	26.3	-176.9	0	0	0	0	0	114.7	A7 A8 F9 D13 K14 L15	A7-A11 CarbonylContact O-C 3.52Å; A7-A11 WeakPolarHBondContact O-CA 3.32Å; A7-A11 PolarHBondContact O-N 3.39Å; A8-A11 PolarHBondContact O-N 3.47Å; A8-A11 VanDerWaalsContact O-N 3.13Å; F9-A11 VanDerWaalsContact C-N 3.33Å; A11-D13 PolarHBondContact O-N 3.13Å; A11-K14 HydrophobicContact CB-CB 4.27Å; A11-K14 HydrophobicContact CB-CD 3.97Å; A11-K14 HydrophobicContact CB-CG 4.26Å; A11-K14 WeakPolarHBondContact O-CB 3.33Å; A11-K14 PolarHBondContact O-N 2.97Å; A11-K14 VanDerWaalsContact O-N 3.08Å; A11-L15 PolarHBondContact O-N 3.49Å; A11-L15 VanDerWaalsContact O-N 3.08Å
12	I	92.6	Very high	91	Very high	68 Å²	68	91.3 Å²	91.3	35%	0.349	45%	0.454	S	S	.	.	H	α-helix	trans	-61.6	-38.5	178.9	-67.4	169.6	0	0	0	109.9	A7 F10 K14 L15 V16	A7-I12 HydrophobicContact CB-CB 4.24Å; A7-I12 PolarHBondContact O-N 2.83Å; F10-I12 HydrophobicContact CB-CD1 3.95Å; F10-I12 HydrophobicContact CB-CG1 3.87Å; F10-I12 PolarHBondContact O-N 3.04Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.38Å; I12-L15 PolarHBondContact O-N 3.42Å; I12-V16 HydrophobicContact CG2-CG2 4.45Å; I12-V16 WeakPolarHBondContact O-CG2 3.43Å; I12-V16 PolarHBondContact O-N 3.08Å
13	D	87.9	Confident	91.2	Very high	65 Å²	65	97.1 Å²	97.1	35%	0.348	47%	0.466	S	S	.	.	H	α-helix	trans	-59.6	-40.1	174.4	67.4	-58.6	0	0	0	112	A11 V16 N17	A11-D13 PolarHBondContact O-N 3.13Å; D13-V16 PolarHBondContact O-N 3.09Å; D13-N17 WeakPolarHBondContact O-CB 3.42Å; D13-N17 PolarHBondContact O-N 2.95Å; D13-N17 PolarHBondContact O-ND2 3.37Å; D13-N17 VanDerWaalsContact O-ND2 3.09Å
14	K	91.2	Very high	91.6	Very high	140 Å²	140	92.2 Å²	92.2	61%	0.609	45%	0.452	S	S	*	.	H	α-helix	trans	-67	-40.2	176.7	-59.1	-176.6	-174.1	168.4	0	111.5	A11 I12 N17 A18	A11-K14 HydrophobicContact CB-CB 4.27Å; A11-K14 HydrophobicContact CB-CD 3.97Å; A11-K14 HydrophobicContact CB-CG 4.26Å; A11-K14 WeakPolarHBondContact O-CB 3.33Å; A11-K14 PolarHBondContact O-N 2.97Å; A11-K14 VanDerWaalsContact O-N 3.08Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.38Å; K14-N17 PolarHBondContact O-N 3.25Å; K14-A18 WeakPolarHBondContact O-CB 3.44Å; K14-A18 PolarHBondContact O-N 3.06Å
15	L	92.9	Very high	91.8	Very high	121 Å²	121	85.9 Å²	85.9	63%	0.634	43%	0.426	S	S	*	.	H	α-helix	trans	-64.7	-42.9	175.7	-70.7	173.3	0	0	0	112	A11 I12 N17 A18 W19	A11-L15 PolarHBondContact O-N 3.49Å; A11-L15 VanDerWaalsContact O-N 3.08Å; I12-L15 PolarHBondContact O-N 3.42Å; L15-N17 VanDerWaalsContact C-N 3.34Å; L15-N17 PolarHBondContact O-N 3.08Å; L15-A18 PolarHBondContact O-N 2.92Å; L15-W19 WeakPolarHBondContact O-CB 3.44Å; L15-W19 PolarHBondContact O-N 3.41Å
16	V	92.2	Very high	91.9	Very high	93 Å²	93	82.8 Å²	82.8	56%	0.564	42%	0.423	S	S	*	.	H	α-helix	trans	-62.2	-43.3	175.5	172	0	0	0	0	110.8	I12 D13 W19 K20	I12-V16 HydrophobicContact CG2-CG2 4.45Å; I12-V16 WeakPolarHBondContact O-CG2 3.43Å; I12-V16 PolarHBondContact O-N 3.08Å; D13-V16 PolarHBondContact O-N 3.09Å; V16-W19 PolarHBondContact O-N 3.44Å; V16-K20 WeakPolarHBondContact O-CB 3.41Å; V16-K20 PolarHBondContact O-N 3.31Å
17	N	90.7	Very high	92.1	Very high	85 Å²	85	82.1 Å²	82.1	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-65.9	-42.6	176.4	-76.1	-38.5	0	0	0	112.4	D13 K14 L15 W19 K20 I21	D13-N17 WeakPolarHBondContact O-CB 3.42Å; D13-N17 PolarHBondContact O-N 2.95Å; D13-N17 PolarHBondContact O-ND2 3.37Å; D13-N17 VanDerWaalsContact O-ND2 3.09Å; K14-N17 PolarHBondContact O-N 3.25Å; L15-N17 VanDerWaalsContact C-N 3.34Å; L15-N17 PolarHBondContact O-N 3.08Å; N17-W19 VanDerWaalsContact C-N 3.33Å; N17-W19 PolarHBondContact O-N 3.35Å; N17-K20 WeakPolarHBondContact O-CB 3.4Å; N17-K20 PolarHBondContact O-N 3.04Å; N17-I21 WeakPolarHBondContact O-CG1 3.44Å; N17-I21 PolarHBondContact O-N 2.94Å
18	A	92.3	Very high	92.3	Very high	47 Å²	47	86.5 Å²	86.5	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-45.6	174.6	0	0	0	0	0	111	K14 L15 K20 I21 V22	K14-A18 WeakPolarHBondContact O-CB 3.44Å; K14-A18 PolarHBondContact O-N 3.06Å; L15-A18 PolarHBondContact O-N 2.92Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 2.85Å; A18-I21 PolarHBondContact O-N 2.8Å; A18-V22 WeakPolarHBondContact O-CG2 3.32Å; A18-V22 PolarHBondContact O-N 3.21Å
19	W	94.2	Very high	92.6	Very high	150 Å²	150	93.7 Å²	93.7	57%	0.568	46%	0.46	S	S	*	.	H	α-helix	trans	-62.4	-39.7	176.2	-173.2	-113.9	0	0	0	112.8	L15 V16 N17 I21 V22 R23 I28	L15-W19 WeakPolarHBondContact O-CB 3.44Å; L15-W19 PolarHBondContact O-N 3.41Å; V16-W19 PolarHBondContact O-N 3.44Å; N17-W19 VanDerWaalsContact C-N 3.33Å; N17-W19 PolarHBondContact O-N 3.35Å; W19-I21 VanDerWaalsContact C-N 3.34Å; W19-I21 PolarHBondContact O-N 2.92Å; W19-V22 PolarHBondContact O-N 3.38Å; W19-R23 PolarHBondContact O-N 2.78Å; W19-I28 HydrophobicContact CZ3-CD1 4.49Å
20	K	93.6	Very high	92.7	Very high	122 Å²	122	94.1 Å²	94.1	53%	0.53	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-44.7	173.7	-178.4	-179	177.9	-179	0	111.4	V16 N17 A18 R23 Q24	V16-K20 WeakPolarHBondContact O-CB 3.41Å; V16-K20 PolarHBondContact O-N 3.31Å; N17-K20 WeakPolarHBondContact O-CB 3.4Å; N17-K20 PolarHBondContact O-N 3.04Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 2.85Å; K20-R23 PolarHBondContact O-N 2.89Å; K20-Q24 WeakPolarHBondContact O-CG 3.34Å; K20-Q24 PolarHBondContact O-N 3.07Å
21	I	94.4	Very high	92.8	Very high	32 Å²	32	88.2 Å²	88.2	16%	0.164	43%	0.432	C	S	.	.	H	α-helix	trans	-64.2	-42.6	177.4	-65.7	164.9	0	0	0	110.8	N17 A18 W19 R23 Q24 N25 L41	N17-I21 WeakPolarHBondContact O-CG1 3.44Å; N17-I21 PolarHBondContact O-N 2.94Å; A18-I21 PolarHBondContact O-N 2.8Å; W19-I21 VanDerWaalsContact C-N 3.34Å; W19-I21 PolarHBondContact O-N 2.92Å; I21-R23 VanDerWaalsContact C-N 3.35Å; I21-R23 PolarHBondContact O-N 3.43Å; I21-Q24 PolarHBondContact O-N 3.18Å; I21-N25 WeakPolarHBondContact CG2-ND2 3.26Å; I21-N25 PolarHBondContact O-N 3.24Å; I21-N25 PolarHBondContact O-ND2 3.41Å; I21-L41 HydrophobicContact CG2-CD1 4.27Å; I21-L41 HydrophobicContact CG2-CD2 3.93Å; I21-L41 HydrophobicContact CG2-CG 3.62Å
22	V	95.2	Very high	93	Very high	24 Å²	24	91.5 Å²	91.5	15%	0.145	44%	0.444	C	S	.	.	H	α-helix	trans	-61.2	-43.2	176.9	170.7	0	0	0	0	111.5	A18 W19 N25 G26 G27 I28 S31 L41	A18-V22 WeakPolarHBondContact O-CG2 3.32Å; A18-V22 PolarHBondContact O-N 3.21Å; W19-V22 PolarHBondContact O-N 3.38Å; V22-N25 PolarHBondContact O-N 2.89Å; V22-G26 PolarHBondContact O-N 2.83Å; V22-G27 WeakPolarHBondContact O-CA 3.35Å; V22-G27 PolarHBondContact O-N 3.36Å; V22-I28 HydrophobicContact CG1-CB 4.46Å; V22-I28 HydrophobicContact CG1-CG1 3.76Å; V22-S31 WeakPolarHBondContact CA-OG 3.23Å; V22-L41 HydrophobicContact CG2-CD2 4.39Å
23	R	94.6	Very high	93	Very high	187 Å²	187	91.3 Å²	91.3	71%	0.706	45%	0.447	S	S	*	.	H	α-helix	trans	-63.3	-42.4	173.7	-85.6	-176.2	67.1	115	-3.1	112.3	W19 K20 I21 N25 G26	W19-R23 PolarHBondContact O-N 2.78Å; K20-R23 PolarHBondContact O-N 2.89Å; I21-R23 VanDerWaalsContact C-N 3.35Å; I21-R23 PolarHBondContact O-N 3.43Å; R23-N25 VanDerWaalsContact C-N 3.29Å; R23-N25 PolarHBondContact O-N 3.22Å; R23-G26 PolarHBondContact O-N 3.34Å
24	Q	92.1	Very high	93.3	Very high	96 Å²	96	89.9 Å²	89.9	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-36.5	179.1	-78.4	-179.2	-15.5	0	0	112.6	K20 I21 G26	K20-Q24 WeakPolarHBondContact O-CG 3.34Å; K20-Q24 PolarHBondContact O-N 3.07Å; I21-Q24 PolarHBondContact O-N 3.18Å; Q24-G26 PolarHBondContact O-N 3.47Å
25	N	91.8	Very high	93.4	Very high	39 Å²	39	85.7 Å²	85.7	21%	0.209	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.5	174.8	-73.8	-63.5	0	0	0	113.5	I21 V22 R23 R30 L41 K42	I21-N25 WeakPolarHBondContact CG2-ND2 3.26Å; I21-N25 PolarHBondContact O-N 3.24Å; I21-N25 PolarHBondContact O-ND2 3.41Å; V22-N25 PolarHBondContact O-N 2.89Å; R23-N25 VanDerWaalsContact C-N 3.29Å; R23-N25 PolarHBondContact O-N 3.22Å; N25-R30 WeakPolarHBondContact O-CB 3.37Å; N25-R30 VanDerWaalsContact O-CD 3.27Å; N25-R30 WeakPolarHBondContact O-CD 3.3Å; N25-L41 WeakPolarHBondContact ND2-CD1 3.04Å; N25-K42 PolarHBondContact ND2-O 3.38Å; N25-K42 VanDerWaalsContact ND2-O 3.11Å
26	G	92.1	Very high	93.4	Very high	43 Å²	43	87.5 Å²	87.5	44%	0.443	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	28.7	178.7	0	0	0	0	0	114.1	V22 R23 Q24	V22-G26 PolarHBondContact O-N 2.83Å; R23-G26 PolarHBondContact O-N 3.34Å; Q24-G26 PolarHBondContact O-N 3.47Å
27	G	94.5	Very high	93.3	Very high	26 Å²	26	84.2 Å²	84.2	27%	0.268	40%	0.403	S	S	.	.	S	Bend	trans	113.7	175.2	172.9	0	0	0	0	0	114	V22 R30 S31	V22-G27 WeakPolarHBondContact O-CA 3.35Å; V22-G27 PolarHBondContact O-N 3.36Å; G27-R30 PolarHBondContact O-N 3.46Å; G27-S31 WeakPolarHBondContact O-CB 3.24Å; G27-S31 PolarHBondContact O-N 2.95Å; G27-S31 PolarHBondContact O-OG 3.45Å
28	I	94.5	Very high	93.3	Very high	104 Å²	104	82.6 Å²	82.6	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-48	-174.2	-62.2	167.2	0	0	0	110.7	W19 V22 R30 S31 L32	W19-I28 HydrophobicContact CZ3-CD1 4.49Å; V22-I28 HydrophobicContact CG1-CB 4.46Å; V22-I28 HydrophobicContact CG1-CG1 3.76Å; I28-R30 PolarHBondContact O-N 3.43Å; I28-S31 WeakPolarHBondContact O-CB 3.33Å; I28-S31 PolarHBondContact O-N 2.99Å; I28-S31 VanDerWaalsContact O-N 3.15Å; I28-L32 HydrophobicContact CG2-CD1 4.21Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 WeakPolarHBondContact O-CG 3.34Å; I28-L32 PolarHBondContact O-N 3.06Å
29	W	94	Very high	93.1	Very high	207 Å²	207	86.6 Å²	86.6	78%	0.784	41%	0.411	S	S	*	.	H	α-helix	trans	-59.8	-46.3	-179.5	-83.9	114.3	0	0	0	113.3	S31 L32 V33	W29-S31 VanDerWaalsContact C-N 3.31Å; W29-S31 PolarHBondContact O-N 3.05Å; W29-L32 HydrophobicContact CE3-CD1 4.42Å; W29-L32 PolarHBondContact O-N 3.41Å; W29-V33 WeakPolarHBondContact O-CG2 3.43Å; W29-V33 PolarHBondContact O-N 2.97Å; W29-V33 VanDerWaalsContact O-N 3.08Å
30	R	93.1	Very high	92.9	Very high	168 Å²	168	82.6 Å²	82.6	63%	0.634	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-39	176.1	-71.4	-172.4	175.6	-177.2	0.8	111.5	N25 G27 I28 L32 V33 T34	N25-R30 WeakPolarHBondContact O-CB 3.37Å; N25-R30 VanDerWaalsContact O-CD 3.27Å; N25-R30 WeakPolarHBondContact O-CD 3.3Å; G27-R30 PolarHBondContact O-N 3.46Å; I28-R30 PolarHBondContact O-N 3.43Å; R30-L32 PolarHBondContact O-N 3.48Å; R30-V33 PolarHBondContact O-N 3.09Å; R30-T34 WeakPolarHBondContact O-CB 3.37Å; R30-T34 PolarHBondContact O-N 2.94Å; R30-T34 PolarHBondContact O-OG1 2.96Å
31	S	94.5	Very high	92.9	Very high	5 Å²	5	79.7 Å²	79.7	4%	0.035	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-44.2	175.5	-56.7	0	0	0	0	111.7	V22 G27 I28 W29 T34 T35	V22-S31 WeakPolarHBondContact CA-OG 3.23Å; G27-S31 WeakPolarHBondContact O-CB 3.24Å; G27-S31 PolarHBondContact O-N 2.95Å; G27-S31 PolarHBondContact O-OG 3.45Å; I28-S31 WeakPolarHBondContact O-CB 3.33Å; I28-S31 PolarHBondContact O-N 2.99Å; I28-S31 VanDerWaalsContact O-N 3.15Å; W29-S31 VanDerWaalsContact C-N 3.31Å; W29-S31 PolarHBondContact O-N 3.05Å; S31-T34 PolarHBondContact O-N 3.43Å; S31-T35 WeakPolarHBondContact O-CB 3.45Å; S31-T35 PolarHBondContact O-N 2.8Å; S31-T35 PolarHBondContact O-OG1 3.33Å
32	L	95.1	Very high	92.8	Very high	99 Å²	99	80.4 Å²	80.4	52%	0.518	40%	0.395	S	S	.	.	H	α-helix	trans	-62.4	-45.7	176.7	-69.2	174	0	0	0	112.1	I28 W29 R30 T34 T35 Y36	I28-L32 HydrophobicContact CG2-CD1 4.21Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 WeakPolarHBondContact O-CG 3.34Å; I28-L32 PolarHBondContact O-N 3.06Å; W29-L32 HydrophobicContact CE3-CD1 4.42Å; W29-L32 PolarHBondContact O-N 3.41Å; R30-L32 PolarHBondContact O-N 3.48Å; L32-T34 PolarHBondContact O-N 3.01Å; L32-T35 PolarHBondContact O-N 3.46Å; L32-Y36 PolarHBondContact O-N 3.19Å
33	V	93	Very high	92.7	Very high	65 Å²	65	79.4 Å²	79.4	39%	0.394	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176.7	174.3	0	0	0	0	111.3	W29 R30 Y36 R37 W77	W29-V33 WeakPolarHBondContact O-CG2 3.43Å; W29-V33 PolarHBondContact O-N 2.97Å; W29-V33 VanDerWaalsContact O-N 3.08Å; R30-V33 PolarHBondContact O-N 3.09Å; V33-Y36 PolarHBondContact O-N 3.07Å; V33-R37 WeakPolarHBondContact O-CG 3.48Å; V33-R37 PolarHBondContact O-N 3.21Å; V33-R37 VanDerWaalsContact O-N 3.08Å; V33-W77 HydrophobicContact CG1-CH2 4.41Å
34	T	92.6	Very high	92.7	Very high	35 Å²	35	71.4 Å²	71.4	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-44	176.4	-64.2	0	0	0	0	111.5	R30 S31 L32 Y36 R37 T38	R30-T34 WeakPolarHBondContact O-CB 3.37Å; R30-T34 PolarHBondContact O-N 2.94Å; R30-T34 PolarHBondContact O-OG1 2.96Å; S31-T34 PolarHBondContact O-N 3.43Å; L32-T34 PolarHBondContact O-N 3.01Å; T34-Y36 VanDerWaalsContact C-N 3.32Å; T34-Y36 PolarHBondContact O-N 2.98Å; T34-R37 PolarHBondContact O-N 3.48Å; T34-R37 VanDerWaalsContact O-N 3.15Å; T34-T38 PolarHBondContact O-N 2.79Å; T34-T38 PolarHBondContact O-OG1 3.07Å
35	T	93.6	Very high	92.9	Very high	52 Å²	52	74.1 Å²	74.1	32%	0.319	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-43.2	175.3	-58.6	0	0	0	0	111.2	S31 L32 R37 D39	S31-T35 WeakPolarHBondContact O-CB 3.45Å; S31-T35 PolarHBondContact O-N 2.8Å; S31-T35 PolarHBondContact O-OG1 3.33Å; L32-T35 PolarHBondContact O-N 3.46Å; T35-R37 VanDerWaalsContact C-N 3.26Å; T35-R37 PolarHBondContact O-N 3.38Å; T35-D39 VanDerWaalsContact O-CA 3.26Å; T35-D39 WeakPolarHBondContact O-CA 3.4Å; T35-D39 PolarHBondContact O-N 3.39Å
36	Y	93.3	Very high	93.1	Very high	158 Å²	158	76 Å²	76	62%	0.62	38%	0.382	S	S	*	.	H	α-helix	trans	-62.2	-32.9	176.4	176.1	-107.5	0	0	0	113.1	L32 V33 T34 L78	L32-Y36 PolarHBondContact O-N 3.19Å; V33-Y36 PolarHBondContact O-N 3.07Å; T34-Y36 VanDerWaalsContact C-N 3.32Å; T34-Y36 PolarHBondContact O-N 2.98Å; Y36-L78 HydrophobicContact CE1-CD1 4.33Å
37	R	91	Very high	93.3	Very high	25 Å²	25	75 Å²	75	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-85.2	-32	-178.3	-71.1	179.5	68.8	-172.5	-2.7	114.3	V33 T34 T35 N74 W77 L78 Y80	V33-R37 WeakPolarHBondContact O-CG 3.48Å; V33-R37 PolarHBondContact O-N 3.21Å; V33-R37 VanDerWaalsContact O-N 3.08Å; T34-R37 PolarHBondContact O-N 3.48Å; T34-R37 VanDerWaalsContact O-N 3.15Å; T35-R37 VanDerWaalsContact C-N 3.26Å; T35-R37 PolarHBondContact O-N 3.38Å; R37-N74 PolarHBondContact NH1-OD1 2.84Å; R37-W77 PolarHBondContact NE-O 3.29Å; R37-W77 PolarHBondContact NH2-O 2.94Å; R37-L78 HydrophobicContact CB-CD2 4.49Å; R37-L78 HydrophobicContact CG-CD2 4.19Å; R37-Y80 VanDerWaalsContact O-CE1 3.27Å; R37-Y80 WeakPolarHBondContact O-CE1 3.24Å; R37-Y80 PolarHBondContact O-OH 2.94Å; R37-Y80 VanDerWaalsContact O-OH 3.1Å
38	T	89.1	Confident	93.5	Very high	50 Å²	50	74.3 Å²	74.3	31%	0.307	36%	0.36	S	S	.	.	H	α-helix	trans	-121.3	3.9	-168.1	60.7	0	0	0	0	113.9	T34 T40	T34-T38 PolarHBondContact O-N 2.79Å; T34-T38 PolarHBondContact O-OG1 3.07Å; T38-T40 PolarHBondContact O-N 3.35Å; T38-T40 PolarHBondContact O-OG1 3.24Å; T38-T40 PolarHBondContact OG1-O 3.31Å; T38-T40 VanDerWaalsContact OG1-O 3.05Å
39	D	89.8	Confident	93.6	Very high	131 Å²	131	74.8 Å²	74.8	70%	0.701	36%	0.361	S	S	*	.	S	Bend	trans	56.8	-4.9	-176.9	-56.9	-41.9	0	0	0	115.9	T35	T35-D39 VanDerWaalsContact O-CA 3.26Å; T35-D39 WeakPolarHBondContact O-CA 3.4Å; T35-D39 PolarHBondContact O-N 3.39Å
40	T	90	Very high	93.6	Very high	67 Å²	67	65.5 Å²	65.5	41%	0.411	33%	0.327	S	S	.	.	S	Bend	trans	-140.3	135.1	-175.5	64.4	0	0	0	0	110.5	T38	T38-T40 PolarHBondContact O-N 3.35Å; T38-T40 PolarHBondContact O-OG1 3.24Å; T38-T40 PolarHBondContact OG1-O 3.31Å; T38-T40 VanDerWaalsContact OG1-O 3.05Å
41	L	92.4	Very high	93.6	Very high	61 Å²	61	62.8 Å²	62.8	32%	0.319	33%	0.334	S	S	.	.			trans	-94.1	109.1	173.2	-170.4	67.2	0	0	0	109.3	I21 V22 N25	I21-L41 HydrophobicContact CG2-CD1 4.27Å; I21-L41 HydrophobicContact CG2-CD2 3.93Å; I21-L41 HydrophobicContact CG2-CG 3.62Å; V22-L41 HydrophobicContact CG2-CD2 4.39Å; N25-L41 WeakPolarHBondContact ND2-CD1 3.04Å
42	K	93.1	Very high	93.5	Very high	46 Å²	46	65 Å²	65	20%	0.2	35%	0.353	C	S	.	.			trans	-117.5	154.2	178.8	-66	-172.3	179.7	-173.2	0	111.7	N25 Y62 R66 W69	N25-K42 PolarHBondContact ND2-O 3.38Å; N25-K42 VanDerWaalsContact ND2-O 3.11Å; K42-Y62 HydrophobicContact CB-CE2 4.05Å; K42-Y62 HydrophobicContact CD-CE2 4.2Å; K42-Y62 HydrophobicContact CG-CE2 4.13Å; K42-R66 PolarHBondContact NZ-O 2.78Å; K42-W69 HydrophobicContact CB-CD2 4.47Å; K42-W69 HydrophobicContact CB-CH2 4.07Å; K42-W69 HydrophobicContact CB-CZ2 3.7Å; K42-W69 HydrophobicContact CD-CD2 3.96Å; K42-W69 HydrophobicContact CD-CE3 3.99Å; K42-W69 HydrophobicContact CD-CG 4.4Å; K42-W69 HydrophobicContact CD-CZ3 4.32Å
43	G	92.8	Very high	93.5	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.031	34%	0.339	C	S	.	.			trans	-128.7	138.4	171.6	0	0	0	0	0	110.2	N59 Y62 W69	G43-N59 PolarHBondContact O-ND2 3.02Å; G43-Y62 PolarHBondContact N-OH 2.91Å; G43-W69 WeakPolarHBondContact O-CH2 3.09Å
44	G	94.8	Very high	93.7	Very high	20 Å²	20	58.4 Å²	58.4	21%	0.206	32%	0.321	C	S	.	.			trans	-170.5	176.7	-176.2	0	0	0	0	0	113.6
45	R	95.2	Very high	93.9	Very high	153 Å²	153	59.4 Å²	59.4	58%	0.577	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.1	176.1	177.5	178.1	66	169.3	1.8	109.1	V47 Y57 E58	R45-V47 PolarHBondContact O-N 2.97Å; R45-Y57 CarbonylContact O-C 3.54Å; R45-Y57 VanDerWaalsContact O-CA 3.24Å; R45-Y57 WeakPolarHBondContact O-CA 3.39Å; R45-E58 PolarHBondContact N-O 3.03Å; R45-E58 IonicContact NH2-OE2 2.92Å; R45-E58 PolarHBondContact NH2-OE2 3.33Å; R45-E58 PolarHBondContact O-N 2.91Å
46	L	96.6	Very high	94.1	Very high	79 Å²	79	56.9 Å²	56.9	41%	0.414	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.8	167.2	178.4	69.2	0	0	0	108.4	M49 R55 Y57	L46-M49 HydrophobicContact CD2-CE 3.79Å; L46-R55 HydrophobicContact CD1-CB 3.84Å; L46-R55 HydrophobicContact CD1-CG 4.28Å; L46-Y57 HydrophobicContact CB-CD1 4.17Å; L46-Y57 HydrophobicContact CB-CE1 3.84Å; L46-Y57 HydrophobicContact CD1-CD1 4.39Å; L46-Y57 HydrophobicContact CD1-CE1 3.9Å; L46-Y57 HydrophobicContact CD1-CE2 4.09Å; L46-Y57 HydrophobicContact CG-CE1 4.47Å
47	V	97.3	Very high	94.2	Very high	21 Å²	21	51.8 Å²	51.8	13%	0.127	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-43	179.3	178.3	0	0	0	0	110.4	R45 Y56 E58 W89 W92 P100 T102	R45-V47 PolarHBondContact O-N 2.97Å; V47-Y56 PolarHBondContact N-O 3.11Å; V47-E58 HydrophobicContact CG2-CB 3.67Å; V47-W89 HydrophobicContact CB-CZ3 4.48Å; V47-W89 HydrophobicContact CG1-CH2 4.11Å; V47-W89 HydrophobicContact CG1-CZ3 4.01Å; V47-W92 HydrophobicContact CB-CH2 3.96Å; V47-W92 HydrophobicContact CB-CZ2 4.26Å; V47-W92 HydrophobicContact CG1-CH2 4.06Å; V47-W92 HydrophobicContact CG1-CZ2 3.97Å; V47-W92 HydrophobicContact CG2-CH2 3.67Å; V47-W92 HydrophobicContact CG2-CZ2 3.81Å; V47-P100 HydrophobicContact CG1-CB 3.61Å; V47-P100 HydrophobicContact CG1-CG 3.8Å; V47-T102 PolarHBondContact O-OG1 2.85Å
48	G	97	Very high	94.5	Very high	12 Å²	12	51.5 Å²	51.5	12%	0.124	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	-174.7	176.9	0	0	0	0	0	113.3	Y56	G48-Y56 PolarHBondContact O-N 3.14Å
49	M	96.8	Very high	94.8	Very high	113 Å²	113	51.5 Å²	51.5	56%	0.557	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.7	175	-49.8	-163.3	-177.1	0	0	109.4	L46 N54 R55	L46-M49 HydrophobicContact CD2-CE 3.79Å; M49-N54 VanDerWaalsContact CA-O 3.24Å; M49-N54 WeakPolarHBondContact CA-O 3.41Å; M49-R55 HydrophobicContact CE-CG 3.83Å; M49-R55 HydrophobicContact CG-CG 3.91Å; M49-R55 HydrophobicContact SD-CG 3.8Å
50	D	94.9	Very high	95	Very high	13 Å²	13	51 Å²	51	7%	0.07	28%	0.281	C	S	.	.			trans	-88.5	179.5	173	64.8	21.7	0	0	0	112.8	A52 G53 N54 Y56 P86	D50-A52 VanDerWaalsContact C-N 3.25Å; D50-A52 PolarHBondContact O-N 3.33Å; D50-A52 WeakPolarHBondContact OD1-CA 3.27Å; D50-A52 WeakPolarHBondContact OD1-CB 3.12Å; D50-A52 PolarHBondContact OD1-N 3.41Å; D50-G53 PolarHBondContact O-N 3Å; D50-G53 VanDerWaalsContact O-N 3.16Å; D50-G53 PolarHBondContact OD1-N 2.95Å; D50-N54 PolarHBondContact N-O 2.95Å; D50-N54 VanDerWaalsContact N-O 3.09Å; D50-N54 PolarHBondContact OD1-N 3.38Å; D50-N54 VanDerWaalsContact OD2-CB 3.27Å; D50-N54 WeakPolarHBondContact OD2-CB 3.42Å; D50-N54 PolarHBondContact OD2-ND2 2.88Å; D50-Y56 HydrophobicContact CB-CE2 3.8Å; D50-Y56 WeakPolarHBondContact OD2-CE2 3.49Å; D50-Y56 PolarHBondContact OD2-OH 3.47Å; D50-P86 HydrophobicContact CB-CG 3.83Å; D50-P86 VanDerWaalsContact OD2-CD 3.23Å; D50-P86 WeakPolarHBondContact OD2-CD 3.48Å
51	S	92.2	Very high	95.2	Very high	110 Å²	110	51.2 Å²	51.2	77%	0.769	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.6	176.5	55.8	0	0	0	0	114.2	G53	S51-G53 VanDerWaalsContact C-N 3.3Å
52	A	92.9	Very high	95.3	Very high	53 Å²	53	51.5 Å²	51.5	44%	0.438	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.1	176.8	0	0	0	0	0	112.1	D50 N73	D50-A52 VanDerWaalsContact C-N 3.25Å; D50-A52 PolarHBondContact O-N 3.33Å; D50-A52 WeakPolarHBondContact OD1-CA 3.27Å; D50-A52 WeakPolarHBondContact OD1-CB 3.12Å; D50-A52 PolarHBondContact OD1-N 3.41Å; A52-N73 PolarHBondContact O-ND2 2.78Å
53	G	95.3	Very high	95.3	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	32%	0.318	C	S	.	.			trans	87.1	16	-177.6	0	0	0	0	0	114	D50 S51	D50-G53 PolarHBondContact O-N 3Å; D50-G53 VanDerWaalsContact O-N 3.16Å; D50-G53 PolarHBondContact OD1-N 2.95Å; S51-G53 VanDerWaalsContact C-N 3.3Å
54	N	96.7	Very high	95.3	Very high	2 Å²	2	63 Å²	63	1%	0.011	35%	0.347	C	S	.	.			trans	-73.6	142.8	168.9	-50	-46.5	0	0	0	109.3	M49 D50 Y56 V70 Y72 N73 Q84	M49-N54 VanDerWaalsContact CA-O 3.24Å; M49-N54 WeakPolarHBondContact CA-O 3.41Å; D50-N54 PolarHBondContact N-O 2.95Å; D50-N54 VanDerWaalsContact N-O 3.09Å; D50-N54 PolarHBondContact OD1-N 3.38Å; D50-N54 VanDerWaalsContact OD2-CB 3.27Å; D50-N54 WeakPolarHBondContact OD2-CB 3.42Å; D50-N54 PolarHBondContact OD2-ND2 2.88Å; N54-Y56 HydrophobicContact CB-CE2 4.14Å; N54-V70 HydrophobicContact CB-CG2 3.77Å; N54-Y72 WeakPolarHBondContact OD1-CA 3.2Å; N54-N73 PolarHBondContact OD1-N 3.01Å; N54-Q84 PolarHBondContact ND2-O 3.39Å
55	R	96.4	Very high	95.1	Very high	56 Å²	56	64.6 Å²	64.6	21%	0.211	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	-176.5	-65.6	-172.7	-64.5	-72.4	-3.2	110.6	L46 M49 Y57 V70 V71	L46-R55 HydrophobicContact CD1-CB 3.84Å; L46-R55 HydrophobicContact CD1-CG 4.28Å; M49-R55 HydrophobicContact CE-CG 3.83Å; M49-R55 HydrophobicContact CG-CG 3.91Å; M49-R55 HydrophobicContact SD-CG 3.8Å; R55-Y57 HydrophobicContact CB-CD2 4.39Å; R55-Y57 HydrophobicContact CB-CE2 3.57Å; R55-Y57 PolarHBondContact NE-OH 2.91Å; R55-V70 CarbonylContact O-C 3.51Å; R55-V70 WeakPolarHBondContact O-CA 3.41Å; R55-V71 HydrophobicContact CB-CB 4.5Å; R55-V71 PolarHBondContact N-O 3.09Å; R55-V71 PolarHBondContact O-N 3.44Å
56	Y	97.6	Very high	95	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.4	-175.7	-64.2	-85.4	0	0	0	110.5	V47 G48 D50 N54 V70 I85 P86 W89 W92 M93	V47-Y56 PolarHBondContact N-O 3.11Å; G48-Y56 PolarHBondContact O-N 3.14Å; D50-Y56 HydrophobicContact CB-CE2 3.8Å; D50-Y56 WeakPolarHBondContact OD2-CE2 3.49Å; D50-Y56 PolarHBondContact OD2-OH 3.47Å; N54-Y56 HydrophobicContact CB-CE2 4.14Å; Y56-V70 HydrophobicContact CD1-CB 4.01Å; Y56-V70 HydrophobicContact CD1-CG2 4.02Å; Y56-V70 HydrophobicContact CE1-CB 3.87Å; Y56-V70 HydrophobicContact CE1-CG2 3.64Å; Y56-I85 HydrophobicContact CE1-CG1 4.48Å; Y56-I85 HydrophobicContact CE1-CG2 4.15Å; Y56-P86 WeakPolarHBondContact OH-CD 3.41Å; Y56-W89 VanDerWaalsContact CB-CZ3 3.5Å; Y56-W89 HydrophobicContact CD1-CB 4.41Å; Y56-W89 HydrophobicContact CD1-CD2 4.14Å; Y56-W89 AromaticContact CD1-CE3 3.76Å; Y56-W89 HydrophobicContact CD1-CE3 3.76Å; Y56-W89 HydrophobicContact CD1-CG 4.42Å; Y56-W89 HydrophobicContact CD1-CZ3 4.41Å; Y56-W89 AromaticContact CD2-CD2 3.41Å; Y56-W89 HydrophobicContact CD2-CD2 3.41Å; Y56-W89 VanDerWaalsContact CD2-CD2 3.41Å; Y56-W89 AromaticContact CD2-CE2 3.61Å; Y56-W89 AromaticContact CD2-CE3 3.55Å; Y56-W89 HydrophobicContact CD2-CE3 3.55Å; Y56-W89 AromaticContact CD2-CG 3.93Å; Y56-W89 HydrophobicContact CD2-CG 3.93Å; Y56-W89 HydrophobicContact CD2-CH2 4.08Å; Y56-W89 AromaticContact CD2-CZ2 3.95Å; Y56-W89 HydrophobicContact CD2-CZ2 3.95Å; Y56-W89 AromaticContact CD2-CZ3 3.88Å; Y56-W89 HydrophobicContact CD2-CZ3 3.88Å; Y56-W89 HydrophobicContact CE1-CB 3.77Å; Y56-W89 HydrophobicContact CE1-CD2 4.23Å; Y56-W89 HydrophobicContact CE1-CE3 4.26Å; Y56-W89 HydrophobicContact CE1-CG 4.03Å; Y56-W89 HydrophobicContact CE2-CB 4.12Å; Y56-W89 AromaticContact CE2-CD1 3.72Å; Y56-W89 AromaticContact CE2-CD2 3.56Å; Y56-W89 HydrophobicContact CE2-CD2 3.56Å; Y56-W89 AromaticContact CE2-CE2 3.83Å; Y56-W89 HydrophobicContact CE2-CE3 4.11Å; Y56-W89 AromaticContact CE2-CG 3.53Å; Y56-W89 HydrophobicContact CE2-CG 3.53Å; Y56-W89 AromaticContact CE2-NE1 3.92Å; Y56-W89 AromaticContact CG-CD2 3.73Å; Y56-W89 HydrophobicContact CG-CD2 3.73Å; Y56-W89 AromaticContact CG-CE3 3.36Å; Y56-W89 HydrophobicContact CG-CE3 3.36Å; Y56-W89 HydrophobicContact CG-CG 4.37Å; Y56-W89 HydrophobicContact CG-CH2 4.26Å; Y56-W89 AromaticContact CG-CZ3 3.66Å; Y56-W89 HydrophobicContact CG-CZ3 3.66Å; Y56-W89 AromaticContact CZ-CD2 3.96Å; Y56-W89 AromaticContact CZ-CG 3.58Å; Y56-W92 HydrophobicContact CD1-CZ3 4.41Å; Y56-M93 HydrophobicContact CD1-CE 4.47Å; Y56-M93 HydrophobicContact CD1-CG 3.68Å; Y56-M93 HydrophobicContact CD1-SD 3.55Å; Y56-M93 VanDerWaalsContact CD1-SD 3.55Å; Y56-M93 HydrophobicContact CE1-CG 3.73Å; Y56-M93 HydrophobicContact CE1-SD 4.13Å
57	Y	96.9	Very high	95	Very high	50 Å²	50	62.2 Å²	62.2	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.8	-175.4	-66.4	-94	0	0	0	111.5	R45 L46 R55 R68 W69 V71	R45-Y57 CarbonylContact O-C 3.54Å; R45-Y57 VanDerWaalsContact O-CA 3.24Å; R45-Y57 WeakPolarHBondContact O-CA 3.39Å; L46-Y57 HydrophobicContact CB-CD1 4.17Å; L46-Y57 HydrophobicContact CB-CE1 3.84Å; L46-Y57 HydrophobicContact CD1-CD1 4.39Å; L46-Y57 HydrophobicContact CD1-CE1 3.9Å; L46-Y57 HydrophobicContact CD1-CE2 4.09Å; L46-Y57 HydrophobicContact CG-CE1 4.47Å; R55-Y57 HydrophobicContact CB-CD2 4.39Å; R55-Y57 HydrophobicContact CB-CE2 3.57Å; R55-Y57 PolarHBondContact NE-OH 2.91Å; Y57-R68 WeakPolarHBondContact O-CA 3.41Å; Y57-W69 AromaticContact CD2-NE1 3.86Å; Y57-W69 HydrophobicContact CG-CZ2 4.14Å; Y57-W69 AromaticContact CG-NE1 3.9Å; Y57-W69 PolarHBondContact N-O 2.75Å; Y57-W69 PolarHBondContact O-N 2.99Å; Y57-W69 VanDerWaalsContact O-N 3.07Å; Y57-V71 HydrophobicContact CD2-CB 4.49Å; Y57-V71 HydrophobicContact CD2-CG2 3.86Å; Y57-V71 HydrophobicContact CE2-CB 4Å; Y57-V71 HydrophobicContact CE2-CG2 3.63Å
58	E	96.7	Very high	94.9	Very high	19 Å²	19	62.5 Å²	62.5	9%	0.089	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140	175.9	-176.3	178.9	-120.7	0	0	111.2	R45 V47 N67 R68 W92	R45-E58 PolarHBondContact N-O 3.03Å; R45-E58 IonicContact NH2-OE2 2.92Å; R45-E58 PolarHBondContact NH2-OE2 3.33Å; R45-E58 PolarHBondContact O-N 2.91Å; V47-E58 HydrophobicContact CG2-CB 3.67Å; E58-N67 CarbonylContact C-O 3.55Å; E58-N67 VanDerWaalsContact CA-O 3.3Å; E58-N67 WeakPolarHBondContact CA-O 3.46Å; E58-R68 HydrophobicContact CB-CG 4.45Å; E58-R68 HydrophobicContact CG-CG 4.16Å; E58-R68 IonicContact OE1-CZ 3.84Å; E58-R68 IonicContact OE1-NE 3.62Å; E58-R68 PolarHBondContact OE1-NE 3.35Å; E58-R68 IonicContact OE1-NH2 3.31Å; E58-R68 PolarHBondContact OE1-NH2 3.37Å; E58-W92 HydrophobicContact CB-CH2 4.18Å; E58-W92 HydrophobicContact CB-CZ2 4.11Å; E58-W92 HydrophobicContact CG-CZ2 4.5Å
59	N	95.9	Very high	94.9	Very high	51 Å²	51	63.8 Å²	63.8	27%	0.273	35%	0.349	S	S	.	.			trans	-146.5	104.6	168.6	-177.6	-6.4	0	0	0	111.1	G43 G61 Y62 N67 W69	G43-N59 PolarHBondContact O-ND2 3.02Å; N59-G61 PolarHBondContact O-N 3.15Å; N59-G61 VanDerWaalsContact O-N 3.13Å; N59-G61 PolarHBondContact OD1-N 2.92Å; N59-Y62 HydrophobicContact CB-CD2 3.76Å; N59-Y62 HydrophobicContact CB-CE2 3.92Å; N59-Y62 HydrophobicContact CB-CG 4.46Å; N59-Y62 PolarHBondContact O-N 3.47Å; N59-N67 PolarHBondContact N-O 2.86Å; N59-N67 VanDerWaalsContact O-CB 3.23Å; N59-N67 WeakPolarHBondContact O-CB 3.36Å; N59-W69 HydrophobicContact CB-CH2 3.95Å; N59-W69 HydrophobicContact CB-CZ3 3.94Å
60	N	94.2	Very high	94.8	Very high	121 Å²	121	59.4 Å²	59.4	65%	0.647	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.9	-179.4	-65	-16.3	0	0	0	114.5	Y62	N60-Y62 VanDerWaalsContact C-N 3.26Å
61	G	93.1	Very high	94.8	Very high	70 Å²	70	59.9 Å²	59.9	72%	0.722	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.2	168	0	0	0	0	0	113.4	N59	N59-G61 PolarHBondContact O-N 3.15Å; N59-G61 VanDerWaalsContact O-N 3.13Å; N59-G61 PolarHBondContact OD1-N 2.92Å
62	Y	93.8	Very high	95	Very high	68 Å²	68	56 Å²	56	27%	0.267	30%	0.301	S	S	.	.	S	Bend	trans	-90.2	158.1	172.9	-62.1	-34.1	0	0	0	111.6	K42 G43 N59 N60 W69	K42-Y62 HydrophobicContact CB-CE2 4.05Å; K42-Y62 HydrophobicContact CD-CE2 4.2Å; K42-Y62 HydrophobicContact CG-CE2 4.13Å; G43-Y62 PolarHBondContact N-OH 2.91Å; N59-Y62 HydrophobicContact CB-CD2 3.76Å; N59-Y62 HydrophobicContact CB-CE2 3.92Å; N59-Y62 HydrophobicContact CB-CG 4.46Å; N59-Y62 PolarHBondContact O-N 3.47Å; N60-Y62 VanDerWaalsContact C-N 3.26Å; Y62-W69 HydrophobicContact CD2-CH2 4.34Å; Y62-W69 AromaticContact CD2-CZ3 3.9Å; Y62-W69 HydrophobicContact CD2-CZ3 3.9Å; Y62-W69 AromaticContact CE2-CH2 3.91Å; Y62-W69 HydrophobicContact CE2-CH2 3.91Å; Y62-W69 AromaticContact CE2-CZ3 3.92Å; Y62-W69 HydrophobicContact CE2-CZ3 3.92Å
63	F	94.4	Very high	95.1	Very high	167 Å²	167	55.1 Å²	55.1	73%	0.732	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-56.8	140.8	175.6	-176.5	-100.5	0	0	0	111.9	G65 R66 N67	F63-G65 PolarHBondContact O-N 3.39Å; F63-R66 CarbonylContact O-C 3.38Å; F63-R66 PolarHBondContact O-N 3.05Å; F63-N67 PolarHBondContact O-N 2.94Å
64	I	91.9	Very high	94.9	Very high	124 Å²	124	58.7 Å²	58.7	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	132.8	179.1	-61.7	175	0	0	0	109.7	R66	I64-R66 VanDerWaalsContact C-N 3.32Å
65	G	91.4	Very high	94.7	Very high	52 Å²	52	67.5 Å²	67.5	54%	0.536	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-13.7	-172.3	0	0	0	0	0	114	F63 N67 H95	F63-G65 PolarHBondContact O-N 3.39Å; G65-N67 PolarHBondContact N-OD1 2.73Å; G65-H95 PolarHBondContact N-NE2 3.42Å
66	R	93.2	Very high	94.4	Very high	175 Å²	175	66.2 Å²	66.2	66%	0.66	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-3.8	167.3	-65.2	-170	177.9	-150.4	0.2	113.2	K42 F63 I64	K42-R66 PolarHBondContact NZ-O 2.78Å; F63-R66 CarbonylContact O-C 3.38Å; F63-R66 PolarHBondContact O-N 3.05Å; I64-R66 VanDerWaalsContact C-N 3.32Å
67	N	95.4	Very high	94	Very high	8 Å²	8	72.4 Å²	72.4	4%	0.043	36%	0.362	C	S	.	.	S	Bend	trans	-77.2	-22	-178.2	65.2	-47.3	0	0	0	113.6	E58 N59 F63 G65 W69 H95	E58-N67 CarbonylContact C-O 3.55Å; E58-N67 VanDerWaalsContact CA-O 3.3Å; E58-N67 WeakPolarHBondContact CA-O 3.46Å; N59-N67 PolarHBondContact N-O 2.86Å; N59-N67 VanDerWaalsContact O-CB 3.23Å; N59-N67 WeakPolarHBondContact O-CB 3.36Å; F63-N67 PolarHBondContact O-N 2.94Å; G65-N67 PolarHBondContact N-OD1 2.73Å; N67-W69 VanDerWaalsContact O-CZ3 3.26Å; N67-W69 WeakPolarHBondContact O-CZ3 3.43Å; N67-H95 PolarHBondContact OD1-CE1 3.07Å; N67-H95 VanDerWaalsContact OD1-CE1 3.22Å; N67-H95 PolarHBondContact OD1-NE2 3.37Å
68	R	96.8	Very high	93.8	Very high	27 Å²	27	73.2 Å²	73.2	10%	0.102	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.8	172.3	-62.7	177.2	-177.1	163.9	3.5	109.5	Y57 E58 W92 M93 H95 T97	Y57-R68 WeakPolarHBondContact O-CA 3.41Å; E58-R68 HydrophobicContact CB-CG 4.45Å; E58-R68 HydrophobicContact CG-CG 4.16Å; E58-R68 IonicContact OE1-CZ 3.84Å; E58-R68 IonicContact OE1-NE 3.62Å; E58-R68 PolarHBondContact OE1-NE 3.35Å; E58-R68 IonicContact OE1-NH2 3.31Å; E58-R68 PolarHBondContact OE1-NH2 3.37Å; R68-W92 HydrophobicContact CB-CH2 4.41Å; R68-W92 WeakPolarHBondContact CD-O 3.26Å; R68-W92 HydrophobicContact CG-CH2 4.04Å; R68-W92 HydrophobicContact CG-CZ2 4.05Å; R68-W92 PolarHBondContact NH1-O 3.16Å; R68-M93 HydrophobicContact CB-SD 4.22Å; R68-H95 PolarHBondContact NH1-ND1 3.17Å; R68-T97 PolarHBondContact NH1-O 3.17Å
69	W	95.9	Very high	93.5	Very high	38 Å²	38	79 Å²	79	14%	0.144	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.6	175	67.3	97.8	0	0	0	111.1	K42 G43 Y57 N59 Y62 N67	K42-W69 HydrophobicContact CB-CD2 4.47Å; K42-W69 HydrophobicContact CB-CH2 4.07Å; K42-W69 HydrophobicContact CB-CZ2 3.7Å; K42-W69 HydrophobicContact CD-CD2 3.96Å; K42-W69 HydrophobicContact CD-CE3 3.99Å; K42-W69 HydrophobicContact CD-CG 4.4Å; K42-W69 HydrophobicContact CD-CZ3 4.32Å; G43-W69 WeakPolarHBondContact O-CH2 3.09Å; Y57-W69 AromaticContact CD2-NE1 3.86Å; Y57-W69 HydrophobicContact CG-CZ2 4.14Å; Y57-W69 AromaticContact CG-NE1 3.9Å; Y57-W69 PolarHBondContact N-O 2.75Å; Y57-W69 PolarHBondContact O-N 2.99Å; Y57-W69 VanDerWaalsContact O-N 3.07Å; N59-W69 HydrophobicContact CB-CH2 3.95Å; N59-W69 HydrophobicContact CB-CZ3 3.94Å; Y62-W69 HydrophobicContact CD2-CH2 4.34Å; Y62-W69 AromaticContact CD2-CZ3 3.9Å; Y62-W69 HydrophobicContact CD2-CZ3 3.9Å; Y62-W69 AromaticContact CE2-CH2 3.91Å; Y62-W69 HydrophobicContact CE2-CH2 3.91Å; Y62-W69 AromaticContact CE2-CZ3 3.92Å; Y62-W69 HydrophobicContact CE2-CZ3 3.92Å; N67-W69 VanDerWaalsContact O-CZ3 3.26Å; N67-W69 WeakPolarHBondContact O-CZ3 3.43Å
70	V	96	Very high	93.3	Very high	21 Å²	21	80.9 Å²	80.9	13%	0.127	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.7	174	61.6	0	0	0	0	109.4	N54 R55 Y56 Y72 I85 M93	N54-V70 HydrophobicContact CB-CG2 3.77Å; R55-V70 CarbonylContact O-C 3.51Å; R55-V70 WeakPolarHBondContact O-CA 3.41Å; Y56-V70 HydrophobicContact CD1-CB 4.01Å; Y56-V70 HydrophobicContact CD1-CG2 4.02Å; Y56-V70 HydrophobicContact CE1-CB 3.87Å; Y56-V70 HydrophobicContact CE1-CG2 3.64Å; V70-Y72 HydrophobicContact CG1-CD2 4.32Å; V70-Y72 HydrophobicContact CG1-CE1 4Å; V70-Y72 HydrophobicContact CG1-CE2 3.69Å; V70-Y72 HydrophobicContact CG2-CD1 4.39Å; V70-Y72 HydrophobicContact CG2-CE1 4.35Å; V70-I85 HydrophobicContact CG1-CD1 4Å; V70-I85 HydrophobicContact CG1-CG1 4.35Å; V70-M93 HydrophobicContact CB-CE 4.1Å; V70-M93 HydrophobicContact CG1-CE 4.33Å
71	V	94.9	Very high	93.2	Very high	23 Å²	23	78.3 Å²	78.3	14%	0.139	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.7	165.1	-179.6	0	0	0	0	106.6	R55 Y57	R55-V71 HydrophobicContact CB-CB 4.5Å; R55-V71 PolarHBondContact N-O 3.09Å; R55-V71 PolarHBondContact O-N 3.44Å; Y57-V71 HydrophobicContact CD2-CB 4.49Å; Y57-V71 HydrophobicContact CD2-CG2 3.86Å; Y57-V71 HydrophobicContact CE2-CB 4Å; Y57-V71 HydrophobicContact CE2-CG2 3.63Å
72	Y	95.6	Very high	93.2	Very high	29 Å²	29	77.8 Å²	77.8	11%	0.114	38%	0.38	C	S	.	.			trans	-62	157.4	-177.3	-62.4	-82.4	0	0	0	112.6	N54 V70 N74 Y80 D81 A82 Q84 I85	N54-Y72 WeakPolarHBondContact OD1-CA 3.2Å; V70-Y72 HydrophobicContact CG1-CD2 4.32Å; V70-Y72 HydrophobicContact CG1-CE1 4Å; V70-Y72 HydrophobicContact CG1-CE2 3.69Å; V70-Y72 HydrophobicContact CG2-CD1 4.39Å; V70-Y72 HydrophobicContact CG2-CE1 4.35Å; Y72-N74 PolarHBondContact O-N 2.8Å; Y72-Y80 HydrophobicContact CD2-CD2 4.07Å; Y72-Y80 AromaticContact CD2-CG 3.78Å; Y72-Y80 HydrophobicContact CD2-CG 3.78Å; Y72-Y80 AromaticContact CE2-CD2 3.83Å; Y72-Y80 HydrophobicContact CE2-CD2 3.83Å; Y72-Y80 HydrophobicContact CE2-CG 4.01Å; Y72-D81 VanDerWaalsContact CE1-O 3.28Å; Y72-D81 WeakPolarHBondContact CE1-O 3.41Å; Y72-D81 PolarHBondContact OH-O 3.24Å; Y72-A82 WeakPolarHBondContact OH-CA 3.32Å; Y72-Q84 HydrophobicContact CD1-CB 4.07Å; Y72-Q84 HydrophobicContact CE1-CB 3.88Å; Y72-I85 HydrophobicContact CE1-CG1 4.31Å
73	N	94.7	Very high	93.3	Very high	35 Å²	35	75.9 Å²	75.9	19%	0.187	38%	0.377	C	S	.	.			trans	-55.3	141	177.5	-166.9	-27.8	0	0	0	110.8	A52 N54 K75 V76	A52-N73 PolarHBondContact O-ND2 2.78Å; N54-N73 PolarHBondContact OD1-N 3.01Å; N73-K75 PolarHBondContact O-N 2.98Å; N73-K75 VanDerWaalsContact O-N 3.12Å; N73-K75 PolarHBondContact OD1-N 2.86Å; N73-K75 VanDerWaalsContact OD1-N 3.17Å; N73-V76 PolarHBondContact O-N 2.7Å
74	N	91.5	Very high	93.3	Very high	96 Å²	96	68.8 Å²	68.8	51%	0.513	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59	-24.2	177.2	-72.1	-15.5	0	0	0	113.2	R37 Y72 V76 W77	R37-N74 PolarHBondContact NH1-OD1 2.84Å; Y72-N74 PolarHBondContact O-N 2.8Å; N74-V76 PolarHBondContact O-N 2.88Å; N74-W77 PolarHBondContact O-N 3.44Å
75	K	92.3	Very high	93.5	Very high	188 Å²	188	63.4 Å²	63.4	82%	0.817	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-57.6	-30.8	174.5	-67	-177.4	179.2	-176.5	0	113.4	N73	N73-K75 PolarHBondContact O-N 2.98Å; N73-K75 VanDerWaalsContact O-N 3.12Å; N73-K75 PolarHBondContact OD1-N 2.86Å; N73-K75 VanDerWaalsContact OD1-N 3.17Å
76	V	91	Very high	93.7	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.176	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-84.1	-19.1	-176.6	178.1	0	0	0	0	112.1	N73 N74 L78 N79	N73-V76 PolarHBondContact O-N 2.7Å; N74-V76 PolarHBondContact O-N 2.88Å; V76-L78 PolarHBondContact O-N 3.39Å; V76-N79 HydrophobicContact CG1-CB 4.18Å; V76-N79 WeakPolarHBondContact CG1-O 3.33Å; V76-N79 PolarHBondContact O-N 3.35Å
77	W	89.2	Confident	93.7	Very high	129 Å²	129	56.5 Å²	56.5	49%	0.489	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-106.8	-177.1	-168.4	-118.1	0	0	0	113.8	V33 R37 N74	V33-W77 HydrophobicContact CG1-CH2 4.41Å; R37-W77 PolarHBondContact NE-O 3.29Å; R37-W77 PolarHBondContact NH2-O 2.94Å; N74-W77 PolarHBondContact O-N 3.44Å
78	L	91.3	Very high	93.7	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.356	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-8.3	177.7	-69.7	174.7	0	0	0	113.2	Y36 R37 V76 Y80	Y36-L78 HydrophobicContact CE1-CD1 4.33Å; R37-L78 HydrophobicContact CB-CD2 4.49Å; R37-L78 HydrophobicContact CG-CD2 4.19Å; V76-L78 PolarHBondContact O-N 3.39Å; L78-Y80 HydrophobicContact CD2-CE1 4.43Å; L78-Y80 WeakPolarHBondContact O-CD1 3.41Å; L78-Y80 PolarHBondContact O-N 3.46Å
79	N	91	Very high	93.7	Very high	139 Å²	139	57.6 Å²	57.6	74%	0.743	30%	0.299	S	S	*	.			trans	-83.9	38	-179.6	-63.2	-28.1	0	0	0	111.7	V76	V76-N79 HydrophobicContact CG1-CB 4.18Å; V76-N79 WeakPolarHBondContact CG1-O 3.33Å; V76-N79 PolarHBondContact O-N 3.35Å
80	Y	91.4	Very high	93.6	Very high	91 Å²	91	60.2 Å²	60.2	36%	0.357	31%	0.312	S	S	.	.			trans	-79.8	141	-177.9	56.2	-98.9	0	0	0	110.7	R37 Y72 L78	R37-Y80 VanDerWaalsContact O-CE1 3.27Å; R37-Y80 WeakPolarHBondContact O-CE1 3.24Å; R37-Y80 PolarHBondContact O-OH 2.94Å; R37-Y80 VanDerWaalsContact O-OH 3.1Å; Y72-Y80 HydrophobicContact CD2-CD2 4.07Å; Y72-Y80 AromaticContact CD2-CG 3.78Å; Y72-Y80 HydrophobicContact CD2-CG 3.78Å; Y72-Y80 AromaticContact CE2-CD2 3.83Å; Y72-Y80 HydrophobicContact CE2-CD2 3.83Å; Y72-Y80 HydrophobicContact CE2-CG 4.01Å; L78-Y80 HydrophobicContact CD2-CE1 4.43Å; L78-Y80 WeakPolarHBondContact O-CD1 3.41Å; L78-Y80 PolarHBondContact O-N 3.46Å
81	D	93.4	Very high	93.6	Very high	67 Å²	67	60.6 Å²	60.6	36%	0.358	32%	0.315	S	S	.	.			trans	-137.1	148.4	177.8	-175.2	31.7	0	0	0	111	Y72 S83 Q84	Y72-D81 VanDerWaalsContact CE1-O 3.28Å; Y72-D81 WeakPolarHBondContact CE1-O 3.41Å; Y72-D81 PolarHBondContact OH-O 3.24Å; D81-S83 PolarHBondContact O-N 2.83Å; D81-S83 WeakPolarHBondContact OD2-CB 3.23Å; D81-S83 PolarHBondContact OD2-N 3.5Å; D81-S83 PolarHBondContact OD2-OG 3.08Å; D81-Q84 VanDerWaalsContact O-CB 3.3Å; D81-Q84 WeakPolarHBondContact O-CB 3.44Å; D81-Q84 PolarHBondContact O-N 3.28Å
82	A	93.3	Very high	93.6	Very high	59 Å²	59	59.6 Å²	59.6	49%	0.488	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28.7	177.5	0	0	0	0	0	112.1	Y72 Q84 I85	Y72-A82 WeakPolarHBondContact OH-CA 3.32Å; A82-Q84 PolarHBondContact O-N 3Å; A82-I85 PolarHBondContact O-N 3.33Å
83	S	94.7	Very high	93.7	Very high	29 Å²	29	59.4 Å²	59.4	20%	0.203	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-66.4	-11.2	175.5	73.3	0	0	0	0	113.9	D81 I85 H115 N118	D81-S83 PolarHBondContact O-N 2.83Å; D81-S83 WeakPolarHBondContact OD2-CB 3.23Å; D81-S83 PolarHBondContact OD2-N 3.5Å; D81-S83 PolarHBondContact OD2-OG 3.08Å; S83-I85 VanDerWaalsContact C-N 3.25Å; S83-I85 PolarHBondContact O-N 3.47Å; S83-H115 PolarHBondContact O-CE1 3.31Å; S83-H115 PolarHBondContact O-NE2 3.12Å; S83-N118 VanDerWaalsContact OG-CB 3.32Å; S83-N118 WeakPolarHBondContact OG-CB 3.48Å; S83-N118 PolarHBondContact OG-N 3.26Å
84	Q	95.3	Very high	93.7	Very high	18 Å²	18	62.5 Å²	62.5	8%	0.084	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-77.5	-11.1	175.7	-68.1	176.4	-32.8	0	0	113.3	N54 Y72 D81 A82 P86 E117	N54-Q84 PolarHBondContact ND2-O 3.39Å; Y72-Q84 HydrophobicContact CD1-CB 4.07Å; Y72-Q84 HydrophobicContact CE1-CB 3.88Å; D81-Q84 VanDerWaalsContact O-CB 3.3Å; D81-Q84 WeakPolarHBondContact O-CB 3.44Å; D81-Q84 PolarHBondContact O-N 3.28Å; A82-Q84 PolarHBondContact O-N 3Å; Q84-P86 WeakPolarHBondContact O-CD 3.28Å; Q84-E117 HydrophobicContact CG-CB 4Å; Q84-E117 WeakPolarHBondContact CG-OE2 3.27Å; Q84-E117 PolarHBondContact NE2-OE2 3.38Å
85	I	96.2	Very high	93.9	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	-75.6	119.7	174.4	-59.6	173.4	0	0	0	108.3	Y56 V70 Y72 A82 S83 W89 F90 H115	Y56-I85 HydrophobicContact CE1-CG1 4.48Å; Y56-I85 HydrophobicContact CE1-CG2 4.15Å; V70-I85 HydrophobicContact CG1-CD1 4Å; V70-I85 HydrophobicContact CG1-CG1 4.35Å; Y72-I85 HydrophobicContact CE1-CG1 4.31Å; A82-I85 PolarHBondContact O-N 3.33Å; S83-I85 VanDerWaalsContact C-N 3.25Å; S83-I85 PolarHBondContact O-N 3.47Å; I85-W89 HydrophobicContact CG2-CB 3.92Å; I85-F90 HydrophobicContact CG2-CB 4.27Å; I85-H115 PolarHBondContact O-CE1 3.08Å; I85-H115 PolarHBondContact O-NE2 3.31Å
86	P	95.4	Very high	94	Very high	7 Å²	7	58.8 Å²	58.8	5%	0.045	31%	0.305	C	S	.	.			trans	-70.9	157.9	179.5	32.4	-37	0	0	0	111.9	D50 Y56 Q84 E88 W89 F90 H115	D50-P86 HydrophobicContact CB-CG 3.83Å; D50-P86 VanDerWaalsContact OD2-CD 3.23Å; D50-P86 WeakPolarHBondContact OD2-CD 3.48Å; Y56-P86 WeakPolarHBondContact OH-CD 3.41Å; Q84-P86 WeakPolarHBondContact O-CD 3.28Å; P86-E88 HydrophobicContact CB-CG 4.2Å; P86-E88 HydrophobicContact CG-CG 3.9Å; P86-E88 PolarHBondContact O-N 3.41Å; P86-W89 HydrophobicContact CG-CB 4.37Å; P86-W89 HydrophobicContact CG-CG 4.5Å; P86-W89 PolarHBondContact O-N 3.19Å; P86-F90 PolarHBondContact O-N 3.19Å; P86-H115 HydrophobicContact CB-CB 3.88Å
87	A	93.4	Very high	94.1	Very high	76 Å²	76	60.3 Å²	60.3	63%	0.628	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.6	-178.8	0	0	0	0	0	114.5	P91	A87-P91 WeakPolarHBondContact O-CD 3.35Å
88	E	94.3	Very high	94.3	Very high	52 Å²	52	60.3 Å²	60.3	24%	0.243	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-41.7	174.9	62.8	-176.6	-156.9	0	0	111.9	P86 P101 A106 K108	P86-E88 HydrophobicContact CB-CG 4.2Å; P86-E88 HydrophobicContact CG-CG 3.9Å; P86-E88 PolarHBondContact O-N 3.41Å; E88-P101 HydrophobicContact CB-CG 4.35Å; E88-P101 WeakPolarHBondContact O-CG 3.37Å; E88-A106 HydrophobicContact CB-CB 3.99Å; E88-K108 IonicContact OE2-NZ 3.04Å
89	W	96.2	Very high	94.5	Very high	5 Å²	5	60.3 Å²	60.3	2%	0.019	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-22.4	-177.5	-76.3	96.1	0	0	0	113.2	V47 Y56 I85 P86 W92 M93 P100 P101 T102	V47-W89 HydrophobicContact CB-CZ3 4.48Å; V47-W89 HydrophobicContact CG1-CH2 4.11Å; V47-W89 HydrophobicContact CG1-CZ3 4.01Å; Y56-W89 VanDerWaalsContact CB-CZ3 3.5Å; Y56-W89 HydrophobicContact CD1-CB 4.41Å; Y56-W89 HydrophobicContact CD1-CD2 4.14Å; Y56-W89 AromaticContact CD1-CE3 3.76Å; Y56-W89 HydrophobicContact CD1-CE3 3.76Å; Y56-W89 HydrophobicContact CD1-CG 4.42Å; Y56-W89 HydrophobicContact CD1-CZ3 4.41Å; Y56-W89 AromaticContact CD2-CD2 3.41Å; Y56-W89 HydrophobicContact CD2-CD2 3.41Å; Y56-W89 VanDerWaalsContact CD2-CD2 3.41Å; Y56-W89 AromaticContact CD2-CE2 3.61Å; Y56-W89 AromaticContact CD2-CE3 3.55Å; Y56-W89 HydrophobicContact CD2-CE3 3.55Å; Y56-W89 AromaticContact CD2-CG 3.93Å; Y56-W89 HydrophobicContact CD2-CG 3.93Å; Y56-W89 HydrophobicContact CD2-CH2 4.08Å; Y56-W89 AromaticContact CD2-CZ2 3.95Å; Y56-W89 HydrophobicContact CD2-CZ2 3.95Å; Y56-W89 AromaticContact CD2-CZ3 3.88Å; Y56-W89 HydrophobicContact CD2-CZ3 3.88Å; Y56-W89 HydrophobicContact CE1-CB 3.77Å; Y56-W89 HydrophobicContact CE1-CD2 4.23Å; Y56-W89 HydrophobicContact CE1-CE3 4.26Å; Y56-W89 HydrophobicContact CE1-CG 4.03Å; Y56-W89 HydrophobicContact CE2-CB 4.12Å; Y56-W89 AromaticContact CE2-CD1 3.72Å; Y56-W89 AromaticContact CE2-CD2 3.56Å; Y56-W89 HydrophobicContact CE2-CD2 3.56Å; Y56-W89 AromaticContact CE2-CE2 3.83Å; Y56-W89 HydrophobicContact CE2-CE3 4.11Å; Y56-W89 AromaticContact CE2-CG 3.53Å; Y56-W89 HydrophobicContact CE2-CG 3.53Å; Y56-W89 AromaticContact CE2-NE1 3.92Å; Y56-W89 AromaticContact CG-CD2 3.73Å; Y56-W89 HydrophobicContact CG-CD2 3.73Å; Y56-W89 AromaticContact CG-CE3 3.36Å; Y56-W89 HydrophobicContact CG-CE3 3.36Å; Y56-W89 HydrophobicContact CG-CG 4.37Å; Y56-W89 HydrophobicContact CG-CH2 4.26Å; Y56-W89 AromaticContact CG-CZ3 3.66Å; Y56-W89 HydrophobicContact CG-CZ3 3.66Å; Y56-W89 AromaticContact CZ-CD2 3.96Å; Y56-W89 AromaticContact CZ-CG 3.58Å; I85-W89 HydrophobicContact CG2-CB 3.92Å; P86-W89 HydrophobicContact CG-CB 4.37Å; P86-W89 HydrophobicContact CG-CG 4.5Å; P86-W89 PolarHBondContact O-N 3.19Å; W89-W92 AromaticContact CE3-CE3 3.74Å; W89-W92 HydrophobicContact CE3-CE3 3.74Å; W89-W92 HydrophobicContact CE3-CZ3 4.09Å; W89-W92 AromaticContact CZ3-CE3 3.87Å; W89-W92 HydrophobicContact CZ3-CE3 3.87Å; W89-W92 AromaticContact CZ3-CZ3 3.95Å; W89-W92 HydrophobicContact CZ3-CZ3 3.95Å; W89-W92 PolarHBondContact O-N 2.92Å; W89-M93 WeakPolarHBondContact O-CB 3.43Å; W89-M93 WeakPolarHBondContact O-CG 3.17Å; W89-M93 PolarHBondContact O-N 3.34Å; W89-P100 HydrophobicContact CZ3-CB 4.3Å; W89-P101 HydrophobicContact CD2-CG 3.85Å; W89-P101 HydrophobicContact CE3-CG 4.14Å; W89-P101 HydrophobicContact CG-CG 4.09Å; W89-P101 HydrophobicContact CZ2-CB 4.47Å; W89-T102 WeakPolarHBondContact CH2-OG1 3.32Å
90	F	95.4	Very high	94.7	Very high	93 Å²	93	54 Å²	54	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-55.2	-49.6	-177	178.3	-83.2	0	0	0	114	I85 P86 W92 M93 H94	I85-F90 HydrophobicContact CG2-CB 4.27Å; P86-F90 PolarHBondContact O-N 3.19Å; F90-W92 VanDerWaalsContact C-N 3.34Å; F90-W92 PolarHBondContact O-N 3.1Å; F90-M93 PolarHBondContact O-N 3.15Å; F90-H94 AromaticContact CD2-CE1 3.33Å; F90-H94 WeakPolarHBondContact CD2-CE1 3.43Å; F90-H94 AromaticContact CD2-ND1 3.41Å; F90-H94 WeakPolarHBondContact CD2-ND1 3.37Å; F90-H94 AromaticContact CE2-CE1 3.2Å; F90-H94 WeakPolarHBondContact CE2-CE1 3.27Å; F90-H94 AromaticContact CE2-ND1 3.41Å; F90-H94 WeakPolarHBondContact CE2-ND1 3.46Å; F90-H94 AromaticContact CE2-NE2 3.78Å; F90-H94 AromaticContact CG-ND1 3.73Å; F90-H94 AromaticContact CZ-CE1 3.9Å; F90-H94 AromaticContact CZ-ND1 3.73Å; F90-H94 PolarHBondContact O-N 3.46Å; F90-H94 PolarHBondContact O-ND1 3.2Å
91	P	95.3	Very high	94.9	Very high	30 Å²	30	50.5 Å²	50.5	20%	0.195	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-39.6	-178.7	-25.2	35.3	0	0	0	113.1	A87 H95 Q96 T97	A87-P91 WeakPolarHBondContact O-CD 3.35Å; P91-H95 PolarHBondContact O-N 2.98Å; P91-Q96 HydrophobicContact CB-CB 4Å; P91-Q96 HydrophobicContact CB-CG 4.38Å; P91-Q96 WeakPolarHBondContact O-CA 3.3Å; P91-Q96 WeakPolarHBondContact O-CB 2.98Å; P91-Q96 PolarHBondContact O-N 3.47Å; P91-T97 HydrophobicContact CB-CG2 4.04Å; P91-T97 PolarHBondContact O-N 3.48Å
92	W	95.9	Very high	94.9	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-71	-42.7	178.4	177.4	79.2	0	0	0	111.9	V47 Y56 E58 R68 W89 F90 H94 H95 T97 D98 P100	V47-W92 HydrophobicContact CB-CH2 3.96Å; V47-W92 HydrophobicContact CB-CZ2 4.26Å; V47-W92 HydrophobicContact CG1-CH2 4.06Å; V47-W92 HydrophobicContact CG1-CZ2 3.97Å; V47-W92 HydrophobicContact CG2-CH2 3.67Å; V47-W92 HydrophobicContact CG2-CZ2 3.81Å; Y56-W92 HydrophobicContact CD1-CZ3 4.41Å; E58-W92 HydrophobicContact CB-CH2 4.18Å; E58-W92 HydrophobicContact CB-CZ2 4.11Å; E58-W92 HydrophobicContact CG-CZ2 4.5Å; R68-W92 HydrophobicContact CB-CH2 4.41Å; R68-W92 WeakPolarHBondContact CD-O 3.26Å; R68-W92 HydrophobicContact CG-CH2 4.04Å; R68-W92 HydrophobicContact CG-CZ2 4.05Å; R68-W92 PolarHBondContact NH1-O 3.16Å; W89-W92 AromaticContact CE3-CE3 3.74Å; W89-W92 HydrophobicContact CE3-CE3 3.74Å; W89-W92 HydrophobicContact CE3-CZ3 4.09Å; W89-W92 AromaticContact CZ3-CE3 3.87Å; W89-W92 HydrophobicContact CZ3-CE3 3.87Å; W89-W92 AromaticContact CZ3-CZ3 3.95Å; W89-W92 HydrophobicContact CZ3-CZ3 3.95Å; W89-W92 PolarHBondContact O-N 2.92Å; F90-W92 VanDerWaalsContact C-N 3.34Å; F90-W92 PolarHBondContact O-N 3.1Å; W92-H94 VanDerWaalsContact C-N 3.29Å; W92-H94 PolarHBondContact O-N 2.95Å; W92-H95 PolarHBondContact O-N 3.36Å; W92-T97 PolarHBondContact N-OG1 2.95Å; W92-D98 VanDerWaalsContact CD1-O 3.31Å; W92-D98 PolarHBondContact NE1-O 2.9Å; W92-P100 HydrophobicContact CD2-CB 3.98Å; W92-P100 HydrophobicContact CG-CB 3.97Å
93	M	96.4	Very high	94.9	Very high	25 Å²	25	55.1 Å²	55.1	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-36.8	177.4	-81.5	-60.8	-66.7	0	0	113.2	Y56 R68 V70 W89 F90 H95	Y56-M93 HydrophobicContact CD1-CE 4.47Å; Y56-M93 HydrophobicContact CD1-CG 3.68Å; Y56-M93 HydrophobicContact CD1-SD 3.55Å; Y56-M93 VanDerWaalsContact CD1-SD 3.55Å; Y56-M93 HydrophobicContact CE1-CG 3.73Å; Y56-M93 HydrophobicContact CE1-SD 4.13Å; R68-M93 HydrophobicContact CB-SD 4.22Å; V70-M93 HydrophobicContact CB-CE 4.1Å; V70-M93 HydrophobicContact CG1-CE 4.33Å; W89-M93 WeakPolarHBondContact O-CB 3.43Å; W89-M93 WeakPolarHBondContact O-CG 3.17Å; W89-M93 PolarHBondContact O-N 3.34Å; F90-M93 PolarHBondContact O-N 3.15Å; M93-H95 VanDerWaalsContact C-N 3.34Å
94	H	95.2	Very high	94.8	Very high	101 Å²	101	62.5 Å²	62.5	47%	0.468	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	16.8	-179.5	-64.4	85.2	0	0	0	113.5	F90 W92 Q96	F90-H94 AromaticContact CD2-CE1 3.33Å; F90-H94 WeakPolarHBondContact CD2-CE1 3.43Å; F90-H94 AromaticContact CD2-ND1 3.41Å; F90-H94 WeakPolarHBondContact CD2-ND1 3.37Å; F90-H94 AromaticContact CE2-CE1 3.2Å; F90-H94 WeakPolarHBondContact CE2-CE1 3.27Å; F90-H94 AromaticContact CE2-ND1 3.41Å; F90-H94 WeakPolarHBondContact CE2-ND1 3.46Å; F90-H94 AromaticContact CE2-NE2 3.78Å; F90-H94 AromaticContact CG-ND1 3.73Å; F90-H94 AromaticContact CZ-CE1 3.9Å; F90-H94 AromaticContact CZ-ND1 3.73Å; F90-H94 PolarHBondContact O-N 3.46Å; F90-H94 PolarHBondContact O-ND1 3.2Å; W92-H94 VanDerWaalsContact C-N 3.29Å; W92-H94 PolarHBondContact O-N 2.95Å; H94-Q96 PolarHBondContact O-N 2.75Å
95	H	94.7	Very high	94.5	Very high	67 Å²	67	70.4 Å²	70.4	31%	0.31	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	22.6	179.6	-59.9	-84.7	0	0	0	114.8	G65 N67 R68 P91 W92 M93 T97	G65-H95 PolarHBondContact N-NE2 3.42Å; N67-H95 PolarHBondContact OD1-CE1 3.07Å; N67-H95 VanDerWaalsContact OD1-CE1 3.22Å; N67-H95 PolarHBondContact OD1-NE2 3.37Å; R68-H95 PolarHBondContact NH1-ND1 3.17Å; P91-H95 PolarHBondContact O-N 2.98Å; W92-H95 PolarHBondContact O-N 3.36Å; M93-H95 VanDerWaalsContact C-N 3.34Å; H95-T97 VanDerWaalsContact C-N 3.28Å
96	Q	94.7	Very high	93.9	Very high	139 Å²	139	72.3 Å²	72.3	65%	0.65	37%	0.371	S	S	*	.	S	Bend	trans	-71.5	-29.2	169.9	-174.1	-177.4	-0.5	0	0	111	P91 H94	P91-Q96 HydrophobicContact CB-CB 4Å; P91-Q96 HydrophobicContact CB-CG 4.38Å; P91-Q96 WeakPolarHBondContact O-CA 3.3Å; P91-Q96 WeakPolarHBondContact O-CB 2.98Å; P91-Q96 PolarHBondContact O-N 3.47Å; H94-Q96 PolarHBondContact O-N 2.75Å
97	T	93.7	Very high	93.6	Very high	61 Å²	61	78.5 Å²	78.5	37%	0.374	40%	0.4	S	S	.	.			trans	-137.7	144.5	176.9	58.6	0	0	0	0	110.8	R68 P91 W92 H95	R68-T97 PolarHBondContact NH1-O 3.17Å; P91-T97 HydrophobicContact CB-CG2 4.04Å; P91-T97 PolarHBondContact O-N 3.48Å; W92-T97 PolarHBondContact N-OG1 2.95Å; H95-T97 VanDerWaalsContact C-N 3.28Å
98	D	93.6	Very high	93.4	Very high	128 Å²	128	82.8 Å²	82.8	68%	0.684	40%	0.404	S	S	*	.	S	Bend	trans	-80.1	-29.7	178	-67.7	-40.6	0	0	0	113.4	W92	W92-D98 VanDerWaalsContact CD1-O 3.31Å; W92-D98 PolarHBondContact NE1-O 2.9Å
99	V	95.1	Very high	93.3	Very high	68 Å²	68	86.8 Å²	86.8	41%	0.412	42%	0.417	S	S	.	.	S	Bend	trans	-88	123.6	-173.5	-175.5	0	0	0	0	110.2	E103 R104	V99-E103 HydrophobicContact CG1-CB 3.68Å; V99-R104 HydrophobicContact CG1-CB 3.64Å
100	P	95.6	Very high	93.2	Very high	7 Å²	7	92.8 Å²	92.8	5%	0.045	46%	0.459	C	S	.	.			trans	-74.8	159.4	177	29.6	-33.8	0	0	0	112.2	V47 W89 W92 T102 E103 R104	V47-P100 HydrophobicContact CG1-CB 3.61Å; V47-P100 HydrophobicContact CG1-CG 3.8Å; W89-P100 HydrophobicContact CZ3-CB 4.3Å; W92-P100 HydrophobicContact CD2-CB 3.98Å; W92-P100 HydrophobicContact CG-CB 3.97Å; P100-T102 PolarHBondContact O-N 2.68Å; P100-E103 HydrophobicContact CG-CB 4.33Å; P100-E103 HydrophobicContact CG-CG 4.01Å; P100-E103 PolarHBondContact O-N 3.4Å; P100-R104 PolarHBondContact O-N 2.75Å; P100-R104 VanDerWaalsContact O-N 3.09Å
101	P	94.1	Very high	93.2	Very high	17 Å²	17	96.6 Å²	96.6	11%	0.11	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.5	177.5	-28.4	38.3	0	0	0	114.9	E88 W89 E103 R104 K105	E88-P101 HydrophobicContact CB-CG 4.35Å; E88-P101 WeakPolarHBondContact O-CG 3.37Å; W89-P101 HydrophobicContact CD2-CG 3.85Å; W89-P101 HydrophobicContact CE3-CG 4.14Å; W89-P101 HydrophobicContact CG-CG 4.09Å; W89-P101 HydrophobicContact CZ2-CB 4.47Å; P101-E103 VanDerWaalsContact C-N 3.33Å; P101-R104 WeakPolarHBondContact CA-O 3.16Å; P101-R104 CarbonylContact O-C 3.6Å; P101-K105 PolarHBondContact O-N 2.88Å
102	T	93.4	Very high	93.2	Very high	86 Å²	86	99.3 Å²	99.3	53%	0.528	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.2	176.6	-49.4	0	0	0	0	112.3	V47 W89 P100	V47-T102 PolarHBondContact O-OG1 2.85Å; W89-T102 WeakPolarHBondContact CH2-OG1 3.32Å; P100-T102 PolarHBondContact O-N 2.68Å
103	E	94.2	Very high	93	Very high	138 Å²	138	107.8 Å²	107.8	65%	0.645	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-44.2	178	-70	176.8	-159	0	0	111.3	V99 P100 P101	V99-E103 HydrophobicContact CG1-CB 3.68Å; P100-E103 HydrophobicContact CG-CB 4.33Å; P100-E103 HydrophobicContact CG-CG 4.01Å; P100-E103 PolarHBondContact O-N 3.4Å; P101-E103 VanDerWaalsContact C-N 3.33Å
104	R	92.4	Very high	92.8	Very high	184 Å²	184	110.9 Å²	110.9	69%	0.694	55%	0.554	S	S	*	*	S	Bend	trans	-122	103.3	175.4	-177.2	177.2	178.4	161.7	0.1	110	V99 P100 P101 A106	V99-R104 HydrophobicContact CG1-CB 3.64Å; P100-R104 PolarHBondContact O-N 2.75Å; P100-R104 VanDerWaalsContact O-N 3.09Å; P101-R104 WeakPolarHBondContact CA-O 3.16Å; P101-R104 CarbonylContact O-C 3.6Å; R104-A106 PolarHBondContact O-N 3.06Å
105	K	89.1	Confident	92.6	Very high	183 Å²	183	110.3 Å²	110.3	80%	0.796	55%	0.551	S	S	*	*			trans	-61.2	137.1	177.7	-64.9	-173.6	-175.5	-179.2	0	110.8	P101	P101-K105 PolarHBondContact O-N 2.88Å
106	A	84.7	Confident	92.6	Very high	50 Å²	50	112 Å²	112	41%	0.413	57%	0.566	S	S	.	*			trans	-64.7	138.2	172.1	0	0	0	0	0	110.6	E88 R104 K108	E88-A106 HydrophobicContact CB-CB 3.99Å; R104-A106 PolarHBondContact O-N 3.06Å; A106-K108 PolarHBondContact O-N 3.3Å; A106-K108 VanDerWaalsContact O-N 3.14Å
107	E	87.8	Confident	92.5	Very high	138 Å²	138	109.1 Å²	109.1	65%	0.645	55%	0.553	S	S	*	*			trans	-67.9	108.1	174.6	-70.2	178.4	-164.5	0	0	109.9
108	K	88.7	Confident	92.5	Very high	165 Å²	165	110.3 Å²	110.3	72%	0.717	56%	0.556	S	S	*	*			trans	-87.4	118.4	174.5	-65.7	-171.3	178.4	-173.9	0	109.6	E88 A106	E88-K108 IonicContact OE2-NZ 3.04Å; A106-K108 PolarHBondContact O-N 3.3Å; A106-K108 VanDerWaalsContact O-N 3.14Å
109	R	92.9	Very high	92.5	Very high	137 Å²	137	106.3 Å²	106.3	52%	0.517	53%	0.534	S	S	.	.			trans	-99.6	153.9	174.3	-60.5	-178.8	178.3	-168.2	-0.3	110.1	W111 M112	R109-W111 HydrophobicContact CB-CD2 4.35Å; R109-W111 HydrophobicContact CB-CG 4.47Å; R109-W111 HydrophobicContact CB-CZ2 4.26Å; R109-W111 VanDerWaalsContact CD-CZ2 3.45Å; R109-W111 HydrophobicContact CG-CZ2 4.43Å; R109-W111 PolarHBondContact O-N 3.01Å; R109-W111 VanDerWaalsContact O-N 3.17Å; R109-M112 HydrophobicContact CB-CE 4.12Å; R109-M112 HydrophobicContact CB-CG 4.13Å; R109-M112 HydrophobicContact CB-SD 4.05Å; R109-M112 HydrophobicContact CG-CE 3.94Å; R109-M112 HydrophobicContact CG-SD 4.35Å; R109-M112 PolarHBondContact N-SD 2.9Å; R109-M112 VanDerWaalsContact N-SD 3.37Å; R109-M112 WeakPolarHBondContact O-CB 3.5Å; R109-M112 PolarHBondContact O-N 2.53Å
110	S	95.4	Very high	92.4	Very high	130 Å²	130	108 Å²	108	91%	0.909	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.8	-175.1	52.5	0	0	0	0	114.8
111	W	94.9	Very high	92.1	Very high	173 Å²	173	110.8 Å²	110.8	66%	0.655	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-6	179.4	54.3	-100.7	0	0	0	113.9	R109 M113	R109-W111 HydrophobicContact CB-CD2 4.35Å; R109-W111 HydrophobicContact CB-CG 4.47Å; R109-W111 HydrophobicContact CB-CZ2 4.26Å; R109-W111 VanDerWaalsContact CD-CZ2 3.45Å; R109-W111 HydrophobicContact CG-CZ2 4.43Å; R109-W111 PolarHBondContact O-N 3.01Å; R109-W111 VanDerWaalsContact O-N 3.17Å; W111-M113 PolarHBondContact O-N 2.93Å
112	M	94.1	Very high	92	Very high	88 Å²	88	112.8 Å²	112.8	43%	0.433	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-76.5	121.6	179.8	-70.2	174.6	173.3	0	0	110	R109	R109-M112 HydrophobicContact CB-CE 4.12Å; R109-M112 HydrophobicContact CB-CG 4.13Å; R109-M112 HydrophobicContact CB-SD 4.05Å; R109-M112 HydrophobicContact CG-CE 3.94Å; R109-M112 HydrophobicContact CG-SD 4.35Å; R109-M112 PolarHBondContact N-SD 2.9Å; R109-M112 VanDerWaalsContact N-SD 3.37Å; R109-M112 WeakPolarHBondContact O-CB 3.5Å; R109-M112 PolarHBondContact O-N 2.53Å
113	M	91.8	Very high	92	Very high	179 Å²	179	114.7 Å²	114.7	88%	0.882	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-74.5	156	174.5	-67.5	-176.6	-72.1	0	0	111.2	W111	W111-M113 PolarHBondContact O-N 2.93Å
114	A	91.9	Very high	92	Very high	89 Å²	89	114.7 Å²	114.7	74%	0.736	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-61.1	147.1	168.3	0	0	0	0	0	110	V116	A114-V116 PolarHBondContact O-N 3.04Å
115	H	92.9	Very high	92.1	Very high	89 Å²	89	110.5 Å²	110.5	41%	0.412	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-64.7	133.4	178.3	-175.2	77.2	0	0	0	110.8	S83 I85 P86	S83-H115 PolarHBondContact O-CE1 3.31Å; S83-H115 PolarHBondContact O-NE2 3.12Å; I85-H115 PolarHBondContact O-CE1 3.08Å; I85-H115 PolarHBondContact O-NE2 3.31Å; P86-H115 HydrophobicContact CB-CB 3.88Å
116	V	92.9	Very high	92.3	Very high	104 Å²	104	110.2 Å²	110.2	63%	0.63	59%	0.591	S	S	*	*			trans	-123.2	135.8	175.3	-177.3	0	0	0	0	107.5	A114 M119	A114-V116 PolarHBondContact O-N 3.04Å; V116-M119 HydrophobicContact CG1-CE 3.99Å
117	E	93.3	Very high	92.6	Very high	78 Å²	78	112.6 Å²	112.6	36%	0.364	60%	0.6	S	S	.	*			trans	-69.1	165.9	177.2	67.1	-174.4	-176.3	0	0	112.1	Q84 M119	Q84-E117 HydrophobicContact CG-CB 4Å; Q84-E117 WeakPolarHBondContact CG-OE2 3.27Å; Q84-E117 PolarHBondContact NE2-OE2 3.38Å; E117-M119 HydrophobicContact CG-CE 3.8Å; E117-M119 HydrophobicContact CG-SD 3.94Å; E117-M119 PolarHBondContact O-N 3.2Å
118	N	94.2	Very high	92.7	Very high	85 Å²	85	110.4 Å²	110.4	46%	0.455	60%	0.598	S	S	.	*			trans	-76.4	120.7	174.9	-178.2	18.2	0	0	0	110.5	S83 T120	S83-N118 VanDerWaalsContact OG-CB 3.32Å; S83-N118 WeakPolarHBondContact OG-CB 3.48Å; S83-N118 PolarHBondContact OG-N 3.26Å; N118-T120 VanDerWaalsContact C-N 3.3Å; N118-T120 PolarHBondContact ND2-OG1 3.43Å; N118-T120 PolarHBondContact O-N 3.44Å; N118-T120 WeakPolarHBondContact OD1-CB 3.47Å; N118-T120 PolarHBondContact OD1-N 2.75Å; N118-T120 PolarHBondContact OD1-OG1 3.35Å
119	M	93.8	Very high	92.7	Very high	45 Å²	45	111.7 Å²	111.7	22%	0.222	60%	0.6	C	S	.	*			trans	-86	4.8	-179.3	-58.9	-54.1	-177.1	0	0	114.1	V116 E117 G121 T122 E124 Q125	V116-M119 HydrophobicContact CG1-CE 3.99Å; E117-M119 HydrophobicContact CG-CE 3.8Å; E117-M119 HydrophobicContact CG-SD 3.94Å; E117-M119 PolarHBondContact O-N 3.2Å; M119-G121 PolarHBondContact O-N 3.17Å; M119-T122 WeakPolarHBondContact O-CB 3.4Å; M119-T122 PolarHBondContact O-N 3.43Å; M119-T122 PolarHBondContact O-OG1 3.49Å; M119-E124 HydrophobicContact CB-CB 4.05Å; M119-E124 WeakPolarHBondContact CB-O 3.48Å; M119-E124 HydrophobicContact CG-CB 4.08Å; M119-E124 HydrophobicContact SD-CB 4.49Å; M119-Q125 WeakPolarHBondContact O-CA 3.41Å; M119-Q125 WeakPolarHBondContact O-CB 3.39Å; M119-Q125 PolarHBondContact O-N 2.68Å
120	T	93	Very high	92.6	Very high	103 Å²	103	109.1 Å²	109.1	63%	0.632	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	131	179.5	-58.7	0	0	0	0	111.1	N118 T122	N118-T120 VanDerWaalsContact C-N 3.3Å; N118-T120 PolarHBondContact ND2-OG1 3.43Å; N118-T120 PolarHBondContact O-N 3.44Å; N118-T120 WeakPolarHBondContact OD1-CB 3.47Å; N118-T120 PolarHBondContact OD1-N 2.75Å; N118-T120 PolarHBondContact OD1-OG1 3.35Å; T120-T122 VanDerWaalsContact C-N 3.26Å; T120-T122 PolarHBondContact O-N 3.05Å
121	G	88.9	Confident	92.4	Very high	65 Å²	65	108.6 Å²	108.6	67%	0.67	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.4	-0.6	-178.4	0	0	0	0	0	114.9	M119	M119-G121 PolarHBondContact O-N 3.17Å
122	T	92	Very high	92.3	Very high	60 Å²	60	104.9 Å²	104.9	37%	0.368	59%	0.591	S	S	.	*	S	Bend	trans	-97.4	175.6	171.9	76.7	0	0	0	0	110.9	M119 T120 E124 Q125	M119-T122 WeakPolarHBondContact O-CB 3.4Å; M119-T122 PolarHBondContact O-N 3.43Å; M119-T122 PolarHBondContact O-OG1 3.49Å; T120-T122 VanDerWaalsContact C-N 3.26Å; T120-T122 PolarHBondContact O-N 3.05Å; T122-E124 PolarHBondContact O-N 3.41Å; T122-E124 PolarHBondContact OG1-N 3.25Å; T122-E124 VanDerWaalsContact OG1-N 3.1Å; T122-Q125 WeakPolarHBondContact O-CB 3.34Å; T122-Q125 WeakPolarHBondContact O-CG 3.4Å; T122-Q125 PolarHBondContact O-N 3.1Å
123	S	93.8	Very high	92.1	Very high	126 Å²	126	111.2 Å²	111.2	88%	0.881	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-20.8	170.7	50.8	0	0	0	0	113.5	Q125	S123-Q125 VanDerWaalsContact C-N 3.33Å
124	E	93.4	Very high	91.9	Very high	137 Å²	137	108.5 Å²	108.5	64%	0.64	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	12.4	-179.8	-61	-175.1	-176.5	0	0	112.5	M119 T122	M119-E124 HydrophobicContact CB-CB 4.05Å; M119-E124 WeakPolarHBondContact CB-O 3.48Å; M119-E124 HydrophobicContact CG-CB 4.08Å; M119-E124 HydrophobicContact SD-CB 4.49Å; T122-E124 PolarHBondContact O-N 3.41Å; T122-E124 PolarHBondContact OG1-N 3.25Å; T122-E124 VanDerWaalsContact OG1-N 3.1Å
125	Q	94.4	Very high	92	Very high	96 Å²	96	113.2 Å²	113.2	45%	0.449	61%	0.607	S	S	.	*			trans	-61.1	140.5	178.9	71.1	178.2	19	0	0	111.7	M119 T122 S123 V127	M119-Q125 WeakPolarHBondContact O-CA 3.41Å; M119-Q125 WeakPolarHBondContact O-CB 3.39Å; M119-Q125 PolarHBondContact O-N 2.68Å; T122-Q125 WeakPolarHBondContact O-CB 3.34Å; T122-Q125 WeakPolarHBondContact O-CG 3.4Å; T122-Q125 PolarHBondContact O-N 3.1Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-V127 HydrophobicContact CG-CG2 4.18Å; Q125-V127 PolarHBondContact O-N 3.27Å
126	F	93.6	Very high	92	Very high	177 Å²	177	116 Å²	116	78%	0.776	62%	0.624	S	S	*	*			trans	-77.7	118.4	173.2	-179.7	-105.8	0	0	0	110.4	P128	F126-P128 HydrophobicContact CE1-CB 4.09Å
127	V	90.5	Very high	91.7	Very high	101 Å²	101	119.9 Å²	119.9	61%	0.612	64%	0.635	S	S	*	*			trans	-108.2	115.3	170.7	-176.7	0	0	0	0	108.5	Q125 Y129	Q125-V127 HydrophobicContact CG-CG2 4.18Å; Q125-V127 PolarHBondContact O-N 3.27Å; V127-Y129 PolarHBondContact O-N 3.5Å
128	P	90.7	Very high	91.6	Very high	92 Å²	92	120.4 Å²	120.4	60%	0.597	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-67.4	137.5	177	28.5	-33.3	0	0	0	109.8	F126	F126-P128 HydrophobicContact CE1-CB 4.09Å
129	Y	89.4	Confident	91.5	Very high	191 Å²	191	126.1 Å²	126.1	75%	0.749	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-80.8	141.4	167.6	64.9	-84.5	0	0	0	109.4	V127 T131	V127-Y129 PolarHBondContact O-N 3.5Å; Y129-T131 HydrophobicContact CD2-CG2 4.16Å; Y129-T131 HydrophobicContact CE2-CG2 3.62Å; Y129-T131 PolarHBondContact O-N 3.33Å
130	S	90.1	Very high	91.3	Very high	84 Å²	84	132.1 Å²	132.1	59%	0.587	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-72.3	123.2	175.1	-174.9	0	0	0	0	109.7	T132	S130-T132 VanDerWaalsContact C-N 3.29Å; S130-T132 PolarHBondContact OG-N 3.37Å; S130-T132 PolarHBondContact OG-O 2.69Å
131	T	90.9	Very high	91	Very high	118 Å²	118	131.8 Å²	131.8	72%	0.724	70%	0.695	S	S	*	*	S	Bend	trans	-84.6	-7	170.9	52.8	0	0	0	0	112.6	Y129	Y129-T131 HydrophobicContact CD2-CG2 4.16Å; Y129-T131 HydrophobicContact CE2-CG2 3.62Å; Y129-T131 PolarHBondContact O-N 3.33Å
132	T	91.8	Very high	90.9	Very high	95 Å²	95	133.3 Å²	133.3	58%	0.583	70%	0.696	S	S	*	*	S	Bend	trans	-118.9	154	-178.1	61.4	0	0	0	0	111.6	S130	S130-T132 VanDerWaalsContact C-N 3.29Å; S130-T132 PolarHBondContact OG-N 3.37Å; S130-T132 PolarHBondContact OG-O 2.69Å
133	R	90.3	Very high	90.5	Very high	222 Å²	222	135.8 Å²	135.8	84%	0.838	72%	0.715	S	S	*	*			trans	-58.8	143.5	169.3	66.3	-178	179.4	-175	0	110.9	K135	R133-K135 PolarHBondContact O-N 3.39Å
134	T	89	Confident	89.6	Confident	122 Å²	122	139.3 Å²	139.3	75%	0.748	72%	0.715	S	S	*	*			trans	-59.7	128.5	174.5	46.8	0	0	0	0	109.7
135	K	92.8	Very high	88.7	Confident	188 Å²	188	147.6 Å²	147.6	82%	0.817	74%	0.74	S	S	*	*	S	Bend	trans	-97.7	-19.7	178.3	-68.6	-179.9	-179.2	176.1	0	113	R133	R133-K135 PolarHBondContact O-N 3.39Å
136	I	92.3	Very high	88.4	Confident	148 Å²	148	150.2 Å²	150.2	76%	0.759	76%	0.755	S	S	*	*	S	Bend	trans	-126.3	127.3	-176.5	-60.7	166.7	0	0	0	105.5
137	E	87.7	Confident	88.1	Confident	184 Å²	184	148.8 Å²	148.8	86%	0.86	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-88.1	128	170.9	-65.3	178.2	174.9	0	0	107.7
138	A	90.4	Very high	88	Confident	89 Å²	89	151.4 Å²	151.4	74%	0.736	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-68.8	137.8	174.9	0	0	0	0	0	108.8	E140	A138-E140 PolarHBondContact O-N 3.25Å
139	W	92.3	Very high	87.8	Confident	206 Å²	206	154.9 Å²	154.9	78%	0.78	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-62.2	123.8	172.6	172.7	78.7	0	0	0	109.9	P141	W139-P141 HydrophobicContact CE3-CB 4.3Å; W139-P141 VanDerWaalsContact CH2-CA 3.41Å; W139-P141 HydrophobicContact CH2-CB 3.61Å; W139-P141 HydrophobicContact CZ2-CB 4.37Å; W139-P141 HydrophobicContact CZ3-CB 3.55Å; W139-P141 HydrophobicContact CZ3-CG 4.45Å
140	E	89.4	Confident	87.7	Confident	170 Å²	170	152.7 Å²	152.7	79%	0.794	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-86.1	121.8	174.1	-64.7	-172.4	168	0	0	109.6	A138 S142	A138-E140 PolarHBondContact O-N 3.25Å; E140-S142 PolarHBondContact O-N 3.4Å
141	P	87.2	Confident	87.5	Confident	97 Å²	97	157.3 Å²	157.3	63%	0.63	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.3	133.8	179.2	25.5	-32.3	0	0	0	111.1	W139 S143	W139-P141 HydrophobicContact CE3-CB 4.3Å; W139-P141 VanDerWaalsContact CH2-CA 3.41Å; W139-P141 HydrophobicContact CH2-CB 3.61Å; W139-P141 HydrophobicContact CZ2-CB 4.37Å; W139-P141 HydrophobicContact CZ3-CB 3.55Å; W139-P141 HydrophobicContact CZ3-CG 4.45Å; P141-S143 PolarHBondContact O-N 3.37Å
142	S	87.4	Confident	87.3	Confident	97 Å²	97	160.1 Å²	160.1	68%	0.678	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.1	126.2	167.6	55.9	0	0	0	0	109.4	E140 K144	E140-S142 PolarHBondContact O-N 3.4Å; S142-K144 PolarHBondContact O-N 3.04Å
143	S	82.5	Confident	87	Confident	112 Å²	112	165.1 Å²	165.1	78%	0.783	81%	0.805	S	S	*	*			trans	-58.6	112.2	172.3	173.7	0	0	0	0	108.8	P141 R145	P141-S143 PolarHBondContact O-N 3.37Å; S143-R145 PolarHBondContact O-N 3.25Å
144	K	76.2	Confident	86.7	Confident	199 Å²	199	160.3 Å²	160.3	87%	0.865	80%	0.802	S	S	*	*			trans	-72.7	110.9	163.4	-76	-172.4	178.6	-179.1	0	106.5	S142	S142-K144 PolarHBondContact O-N 3.04Å
145	R	73	Confident	86.5	Confident	312 Å²	312	163.8 Å²	163.8	100%	1.177	81%	0.807	S	S	*	*			trans	-53	0	166.9	-88.9	-173.1	-179.5	-175.1	0.8	111.6	S143	S143-R145 PolarHBondContact O-N 3.25Å

Retrieved 145 of 145 residues in 158.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).