A0A077ZNF5_TRITR Loading...

Putative sphingomyelin synthase-related protein 1

AlphaFold DB , UniProt , Accession A0A077ZNF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

						>A0A077ZNF5_TRITR|A0A077ZNF5
MARTRFPSCCDVLADCPAMDWATEAVKVWLQIVDKSEWIKFLVDRRNVDGAALMSLRKEDLNAALYSGYTLEELNSLMDCIRSLRIEQLSNPDQLLFRYLYCLSVNGNSKTVVFCSVCIVDNYGKLS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	43.4	Very low	242 Å²	242	141 Å²	141	100%	1.192	74%	0.736	S	S	*	*				0	106.5	0	-76.3	174.6	172.7	0	0	108.1	R3	M1-R3 PolarHBondContact O-N 3.2Å
2	A	33.9	Very low	45.9	Very low	97 Å²	97	135.7 Å²	135.7	80%	0.802	71%	0.714	S	S	*	*			trans	-69.1	114.3	174.8	0	0	0	0	0	107.9	T4	A2-T4 PolarHBondContact O-N 3.35Å
3	R	35.9	Very low	48.1	Very low	235 Å²	235	129.8 Å²	129.8	89%	0.887	68%	0.683	S	S	*	*			trans	-63.1	104.6	168	-74.3	178.9	170.7	176.4	-3.7	106.6	M1 R5	M1-R3 PolarHBondContact O-N 3.2Å; R3-R5 PolarHBondContact O-N 3.38Å
4	T	35.7	Very low	50.3	Low	130 Å²	130	124.9 Å²	124.9	80%	0.798	67%	0.67	S	S	*	*			trans	-62.2	90.3	160.4	42.2	0	0	0	0	106.4	A2 F6	A2-T4 PolarHBondContact O-N 3.35Å; T4-F6 PolarHBondContact O-N 3.48Å
5	R	35.9	Very low	52.2	Low	227 Å²	227	124.5 Å²	124.5	86%	0.857	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-59.5	116.6	166.1	-74.5	-177.2	176.5	-177.1	-1.6	105.4	R3 P7	R3-R5 PolarHBondContact O-N 3.38Å; R5-P7 WeakPolarHBondContact O-CD 3.49Å; R5-P7 VanDerWaalsContact O-N 3.14Å
6	F	42.1	Very low	54.1	Low	166 Å²	166	116.8 Å²	116.8	73%	0.728	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-52.1	117.6	163.8	-72.6	-86.1	0	0	0	107.4	T4	T4-F6 PolarHBondContact O-N 3.48Å
7	P	41.4	Very low	55.7	Low	121 Å²	121	113.4 Å²	113.4	79%	0.786	61%	0.612	S	S	*	*	S	Bend	trans	-80.1	128.5	158	33.1	-24.3	0	0	0	105.8	R5	R5-P7 WeakPolarHBondContact O-CD 3.49Å; R5-P7 VanDerWaalsContact O-N 3.14Å
8	S	48.9	Very low	57.4	Low	80 Å²	80	107.1 Å²	107.1	56%	0.559	58%	0.578	S	S	*	*			cis	-163.7	119.5	1.2	42.9	0	0	0	0	103.4	C10	S8-C10 PolarHBondContact O-N 3.1Å
9	C	47.8	Very low	59	Low	83 Å²	83	104.1 Å²	104.1	56%	0.561	56%	0.561	S	S	*	*			trans	-53.2	127	152.2	-62.4	0	0	0	0	105.1	D11 L89	C9-D11 VanDerWaalsContact C-N 3.34Å; C9-D11 PolarHBondContact O-N 3.46Å; C9-L89 WeakPolarHBondContact CA-O 3.5Å; C9-L89 WeakPolarHBondContact CB-O 3.33Å
10	C	55.2	Low	60.4	Low	15 Å²	15	106.3 Å²	106.3	10%	0.101	57%	0.572	C	S	.	*			trans	-66.5	107.2	167.4	-73	0	0	0	0	104.8	S8 V12 C16 L89	S8-C10 PolarHBondContact O-N 3.1Å; C10-V12 PolarHBondContact O-N 3.2Å; C10-C16 WeakPolarHBondContact CB-SG 3.29Å; C10-L89 HydrophobicContact CB-CD2 4.4Å; C10-L89 PolarHBondContact N-O 3.05Å; C10-L89 WeakPolarHBondContact O-CD2 3.45Å
11	D	65.1	Low	61.9	Low	155 Å²	155	103.3 Å²	103.3	83%	0.829	55%	0.553	S	S	*	*	S	Bend	trans	-68.3	-17.2	175	-71.3	-32.5	0	0	0	110.5	C9	C9-D11 VanDerWaalsContact C-N 3.34Å; C9-D11 PolarHBondContact O-N 3.46Å
12	V	74.1	Confident	64.5	Low	77 Å²	77	94.9 Å²	94.9	47%	0.467	52%	0.522	S	S	.	.	S	Bend	trans	-130.1	127.3	-176.5	-169.9	0	0	0	0	109.4	C10 A14 D15	C10-V12 PolarHBondContact O-N 3.2Å; V12-A14 HydrophobicContact CG1-CB 3.96Å; V12-A14 PolarHBondContact O-N 3.34Å; V12-A14 VanDerWaalsContact O-N 3.11Å; V12-D15 PolarHBondContact O-N 2.89Å; V12-D15 VanDerWaalsContact O-N 3.09Å
13	L	74	Confident	67.3	Low	59 Å²	59	91.2 Å²	91.2	31%	0.309	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-56.1	-29.5	178.2	-78.6	168.9	0	0	0	113.2	D15 C16 M19 M54 R85 L89	L13-D15 PolarHBondContact O-N 3.36Å; L13-C16 WeakPolarHBondContact O-CB 3.35Å; L13-C16 PolarHBondContact O-N 3.31Å; L13-M19 WeakPolarHBondContact O-CG 3.45Å; L13-M54 HydrophobicContact CD2-CE 3.65Å; L13-R85 HydrophobicContact CD1-CB 4.46Å; L13-R85 HydrophobicContact CD1-CG 4.37Å; L13-R85 HydrophobicContact CD2-CB 3.79Å; L13-R85 HydrophobicContact CD2-CG 4.03Å; L13-L89 HydrophobicContact CD2-CD1 3.88Å; L13-L89 HydrophobicContact CD2-CD2 3.83Å; L13-L89 HydrophobicContact CD2-CG 3.67Å; L13-L89 HydrophobicContact CG-CD1 4.12Å; L13-L89 HydrophobicContact CG-CD2 3.91Å; L13-L89 HydrophobicContact CG-CG 4.17Å
14	A	78.7	Confident	69.9	Low	61 Å²	61	85.5 Å²	85.5	50%	0.504	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-66.2	-19.5	-178.9	0	0	0	0	0	113.5	V12	V12-A14 HydrophobicContact CG1-CB 3.96Å; V12-A14 PolarHBondContact O-N 3.34Å; V12-A14 VanDerWaalsContact O-N 3.11Å
15	D	79.1	Confident	72.5	Confident	120 Å²	120	81.1 Å²	81.1	64%	0.642	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-99.4	1	179.8	-57.3	-34	0	0	0	112.1	V12 L13	V12-D15 PolarHBondContact O-N 2.89Å; V12-D15 VanDerWaalsContact O-N 3.09Å; L13-D15 PolarHBondContact O-N 3.36Å
16	C	82	Confident	75.2	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.007	41%	0.409	C	S	.	.	S	Bend	trans	-73.5	142.4	-179.1	-67.5	0	0	0	0	111.6	C10 L13 A18 M19 Q88	C10-C16 WeakPolarHBondContact CB-SG 3.29Å; L13-C16 WeakPolarHBondContact O-CB 3.35Å; L13-C16 PolarHBondContact O-N 3.31Å; C16-A18 PolarHBondContact O-N 3.12Å; C16-M19 VanDerWaalsContact O-CB 3.27Å; C16-M19 WeakPolarHBondContact O-CB 3.26Å; C16-M19 WeakPolarHBondContact O-CG 3.37Å; C16-M19 PolarHBondContact O-N 3.42Å; C16-Q88 HydrophobicContact CB-CB 3.88Å; C16-Q88 HydrophobicContact CB-CG 4.48Å
17	P	81.6	Confident	77.6	Confident	58 Å²	58	65.2 Å²	65.2	38%	0.377	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-54.9	-28.9	177.1	-27.9	35.5	0	0	0	114.5	M19 D20 W21 P92	P17-M19 PolarHBondContact O-N 2.99Å; P17-D20 PolarHBondContact O-N 3.21Å; P17-W21 VanDerWaalsContact O-CD1 3.31Å; P17-P92 HydrophobicContact CG-CB 3.95Å
18	A	86.1	Confident	79.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-61.6	-20.4	174.8	0	0	0	0	0	114.3	C16 D20 W21 G50 M54 Q88	C16-A18 PolarHBondContact O-N 3.12Å; A18-D20 VanDerWaalsContact C-N 3.27Å; A18-D20 PolarHBondContact O-N 3.1Å; A18-W21 HydrophobicContact CB-CD2 4.2Å; A18-W21 HydrophobicContact CB-CH2 4.26Å; A18-W21 HydrophobicContact CB-CZ2 3.93Å; A18-W21 PolarHBondContact O-N 3.22Å; A18-G50 CarbonylContact O-C 3.45Å; A18-G50 WeakPolarHBondContact O-CA 3.34Å; A18-M54 HydrophobicContact CB-CE 4.18Å; A18-M54 HydrophobicContact CB-CG 4.12Å; A18-M54 HydrophobicContact CB-SD 4.04Å; A18-Q88 HydrophobicContact CB-CG 3.71Å
19	M	88.1	Confident	81.9	Confident	51 Å²	51	57.6 Å²	57.6	25%	0.251	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-66.3	-31.1	175.5	-67.5	-67.4	-64.7	0	0	112.2	L13 C16 P17 W21 A51 M54	L13-M19 WeakPolarHBondContact O-CG 3.45Å; C16-M19 VanDerWaalsContact O-CB 3.27Å; C16-M19 WeakPolarHBondContact O-CB 3.26Å; C16-M19 WeakPolarHBondContact O-CG 3.37Å; C16-M19 PolarHBondContact O-N 3.42Å; P17-M19 PolarHBondContact O-N 2.99Å; M19-W21 VanDerWaalsContact C-N 3.34Å; M19-A51 HydrophobicContact CE-CB 3.91Å; M19-A51 PolarHBondContact O-N 3.09Å; M19-M54 HydrophobicContact SD-CB 3.6Å; M19-M54 HydrophobicContact SD-CG 4.06Å
20	D	87.8	Confident	84.1	Confident	147 Å²	147	53.7 Å²	53.7	79%	0.786	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-92.3	6.7	-177.2	-63.3	-42.3	0	0	0	113.3	P17 A18 A22	P17-D20 PolarHBondContact O-N 3.21Å; A18-D20 VanDerWaalsContact C-N 3.27Å; A18-D20 PolarHBondContact O-N 3.1Å; D20-A22 PolarHBondContact O-N 3.23Å
21	W	90.6	Very high	85.8	Confident	44 Å²	44	57.8 Å²	57.8	17%	0.167	32%	0.324	C	S	.	.			trans	-66.2	129.5	179.2	-75.4	6.9	0	0	0	111.7	P17 A18 M19 A25 V26 W29 D49 G50 L53 L84 L95	P17-W21 VanDerWaalsContact O-CD1 3.31Å; A18-W21 HydrophobicContact CB-CD2 4.2Å; A18-W21 HydrophobicContact CB-CH2 4.26Å; A18-W21 HydrophobicContact CB-CZ2 3.93Å; A18-W21 PolarHBondContact O-N 3.22Å; M19-W21 VanDerWaalsContact C-N 3.34Å; W21-A25 HydrophobicContact CB-CB 3.91Å; W21-A25 HydrophobicContact CD2-CB 4.21Å; W21-A25 HydrophobicContact CG-CB 3.92Å; W21-V26 HydrophobicContact CB-CG2 4.47Å; W21-V26 HydrophobicContact CE3-CG2 4.29Å; W21-W29 HydrophobicContact CH2-CB 4.31Å; W21-W29 HydrophobicContact CH2-CG 4.26Å; W21-W29 HydrophobicContact CZ3-CB 3.73Å; W21-W29 AromaticContact CZ3-CG 3.82Å; W21-W29 HydrophobicContact CZ3-CG 3.82Å; W21-D49 WeakPolarHBondContact O-CB 3.49Å; W21-G50 PolarHBondContact O-N 3.38Å; W21-L53 HydrophobicContact CZ3-CD2 4.38Å; W21-L84 HydrophobicContact CH2-CD1 3.86Å; W21-L84 HydrophobicContact CZ3-CD1 4.42Å; W21-L84 HydrophobicContact CZ3-CD2 4.3Å; W21-L95 HydrophobicContact CH2-CD1 3.73Å; W21-L95 HydrophobicContact CH2-CD2 3.31Å; W21-L95 HydrophobicContact CH2-CG 4.08Å; W21-L95 HydrophobicContact CZ2-CD1 4.28Å; W21-L95 HydrophobicContact CZ2-CD2 3.52Å; W21-L95 HydrophobicContact CZ2-CG 4.33Å; W21-L95 HydrophobicContact CZ3-CD2 4.41Å
22	A	91.3	Very high	86.9	Confident	65 Å²	65	52.4 Å²	52.4	54%	0.537	30%	0.296	S	S	.	.			trans	-66.6	159.3	163.3	0	0	0	0	0	110.9	D20 E24 A25 V26	D20-A22 PolarHBondContact O-N 3.23Å; A22-E24 PolarHBondContact O-N 3.33Å; A22-E24 VanDerWaalsContact O-N 3.13Å; A22-A25 WeakPolarHBondContact O-CA 3.4Å; A22-A25 WeakPolarHBondContact O-CB 3.46Å; A22-A25 PolarHBondContact O-N 2.62Å; A22-V26 PolarHBondContact O-N 2.92Å
23	T	92.1	Very high	87.7	Confident	20 Å²	20	50.8 Å²	50.8	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-52.5	-35.4	176.4	-48.7	0	0	0	0	113	A25 V26 K27 V43 N47 V48	T23-A25 PolarHBondContact O-N 2.86Å; T23-V26 WeakPolarHBondContact O-CB 3.49Å; T23-V26 PolarHBondContact O-N 3.23Å; T23-K27 PolarHBondContact O-N 3.08Å; T23-V43 HydrophobicContact CG2-CB 4.16Å; T23-V43 HydrophobicContact CG2-CG1 3.68Å; T23-V43 HydrophobicContact CG2-CG2 4.19Å; T23-N47 PolarHBondContact OG1-OD1 2.71Å; T23-V48 WeakPolarHBondContact CG2-O 3.3Å
24	E	90.9	Very high	88.5	Confident	115 Å²	115	53.9 Å²	53.9	54%	0.537	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-34.5	175.3	-71.6	-58.5	139.8	0	0	113	A22 V26 K27 V28	A22-E24 PolarHBondContact O-N 3.33Å; A22-E24 VanDerWaalsContact O-N 3.13Å; E24-V26 VanDerWaalsContact C-N 3.35Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3.43Å; E24-K27 WeakPolarHBondContact OE2-CD 3.4Å; E24-K27 IonicContact OE2-NZ 3.83Å; E24-V28 PolarHBondContact O-N 3.21Å; E24-V28 VanDerWaalsContact O-N 3.09Å
25	A	90.1	Very high	89.3	Confident	38 Å²	38	52.4 Å²	52.4	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-38.1	174.2	0	0	0	0	0	111.1	W21 A22 T23 K27 V28 W29	W21-A25 HydrophobicContact CB-CB 3.91Å; W21-A25 HydrophobicContact CD2-CB 4.21Å; W21-A25 HydrophobicContact CG-CB 3.92Å; A22-A25 WeakPolarHBondContact O-CA 3.4Å; A22-A25 WeakPolarHBondContact O-CB 3.46Å; A22-A25 PolarHBondContact O-N 2.62Å; T23-A25 PolarHBondContact O-N 2.86Å; A25-K27 VanDerWaalsContact C-N 3.32Å; A25-K27 PolarHBondContact O-N 3.18Å; A25-V28 PolarHBondContact O-N 3.14Å; A25-W29 PolarHBondContact O-N 3.16Å
26	V	92.1	Very high	90	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-42.1	172.4	175.1	0	0	0	0	111.3	W21 A22 T23 E24 V28 W29 L30 L53	W21-V26 HydrophobicContact CB-CG2 4.47Å; W21-V26 HydrophobicContact CE3-CG2 4.29Å; A22-V26 PolarHBondContact O-N 2.92Å; T23-V26 WeakPolarHBondContact O-CB 3.49Å; T23-V26 PolarHBondContact O-N 3.23Å; E24-V26 VanDerWaalsContact C-N 3.35Å; V26-V28 PolarHBondContact O-N 3.35Å; V26-W29 WeakPolarHBondContact O-CB 3.13Å; V26-W29 PolarHBondContact O-N 2.73Å; V26-L30 HydrophobicContact CG1-CD1 4.43Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.24Å; V26-L53 HydrophobicContact CG1-CD1 4.42Å; V26-L53 HydrophobicContact CG1-CD2 4.11Å; V26-L53 HydrophobicContact CG2-CB 4.47Å; V26-L53 HydrophobicContact CG2-CD2 4.17Å
27	K	92.9	Very high	90.6	Very high	60 Å²	60	52.9 Å²	52.9	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-46.8	175.7	-177.8	-178.3	174.8	-178.2	0	112	T23 E24 A25 W29 L30 Q31 I39 V43	T23-K27 PolarHBondContact O-N 3.08Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3.43Å; E24-K27 WeakPolarHBondContact OE2-CD 3.4Å; E24-K27 IonicContact OE2-NZ 3.83Å; A25-K27 VanDerWaalsContact C-N 3.32Å; A25-K27 PolarHBondContact O-N 3.18Å; K27-W29 VanDerWaalsContact C-N 3.34Å; K27-L30 PolarHBondContact O-N 3.2Å; K27-Q31 WeakPolarHBondContact O-CG 3.48Å; K27-Q31 PolarHBondContact O-N 3.25Å; K27-I39 HydrophobicContact CD-CG2 4.39Å; K27-I39 HydrophobicContact CG-CD1 4.1Å; K27-I39 HydrophobicContact CG-CG1 4.25Å; K27-I39 HydrophobicContact CG-CG2 4.03Å; K27-V43 HydrophobicContact CB-CG1 4.43Å; K27-V43 HydrophobicContact CB-CG2 3.92Å; K27-V43 HydrophobicContact CD-CG1 4.46Å
28	V	89.8	Confident	91.3	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-37.1	178.5	-174.1	0	0	0	0	111.2	E24 A25 V26 L30 Q31 I32 Y99	E24-V28 PolarHBondContact O-N 3.21Å; E24-V28 VanDerWaalsContact O-N 3.09Å; A25-V28 PolarHBondContact O-N 3.14Å; V26-V28 PolarHBondContact O-N 3.35Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 2.85Å; V28-Q31 WeakPolarHBondContact O-CB 3.44Å; V28-Q31 PolarHBondContact O-N 3.47Å; V28-Q31 VanDerWaalsContact O-N 3.1Å; V28-I32 HydrophobicContact CG1-CD1 3.98Å; V28-I32 HydrophobicContact CG1-CG1 4.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.44Å; V28-I32 PolarHBondContact O-N 2.87Å; V28-Y99 HydrophobicContact CB-CD2 4.21Å; V28-Y99 HydrophobicContact CB-CE2 3.72Å; V28-Y99 HydrophobicContact CG1-CD2 3.55Å; V28-Y99 HydrophobicContact CG1-CE2 3.26Å; V28-Y99 HydrophobicContact CG2-CE2 4.09Å
29	W	91.1	Very high	91.8	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-46.8	172.8	170.7	75.8	0	0	0	111.8	W21 A25 V26 K27 Q31 I32 V33 L53 L77 C80 I81 L84	W21-W29 HydrophobicContact CH2-CB 4.31Å; W21-W29 HydrophobicContact CH2-CG 4.26Å; W21-W29 HydrophobicContact CZ3-CB 3.73Å; W21-W29 AromaticContact CZ3-CG 3.82Å; W21-W29 HydrophobicContact CZ3-CG 3.82Å; A25-W29 PolarHBondContact O-N 3.16Å; V26-W29 WeakPolarHBondContact O-CB 3.13Å; V26-W29 PolarHBondContact O-N 2.73Å; K27-W29 VanDerWaalsContact C-N 3.34Å; W29-Q31 PolarHBondContact O-N 3.38Å; W29-I32 PolarHBondContact O-N 3.39Å; W29-V33 HydrophobicContact CD2-CG2 4.27Å; W29-V33 HydrophobicContact CH2-CG2 4.23Å; W29-V33 HydrophobicContact CZ2-CG1 4.2Å; W29-V33 HydrophobicContact CZ2-CG2 3.97Å; W29-V33 HydrophobicContact CZ3-CG2 4.49Å; W29-V33 WeakPolarHBondContact O-CG2 3.25Å; W29-V33 PolarHBondContact O-N 3.13Å; W29-L53 HydrophobicContact CD2-CD2 4.25Å; W29-L53 HydrophobicContact CE3-CD1 4.35Å; W29-L53 HydrophobicContact CE3-CD2 3.74Å; W29-L53 HydrophobicContact CH2-CD1 4.28Å; W29-L53 HydrophobicContact CH2-CD2 4.45Å; W29-L53 HydrophobicContact CZ3-CD1 3.72Å; W29-L53 HydrophobicContact CZ3-CD2 3.86Å; W29-L53 HydrophobicContact CZ3-CG 4.38Å; W29-L77 HydrophobicContact CH2-CD1 4.36Å; W29-L77 HydrophobicContact CZ3-CD1 4.47Å; W29-C80 HydrophobicContact CH2-CB 4.23Å; W29-C80 HydrophobicContact CZ2-CB 4.13Å; W29-I81 HydrophobicContact CH2-CG1 3.76Å; W29-I81 HydrophobicContact CZ3-CG1 4.45Å; W29-L84 HydrophobicContact CD2-CD2 4.34Å; W29-L84 HydrophobicContact CZ2-CB 4.06Å; W29-L84 HydrophobicContact CZ2-CD2 3.96Å
30	L	93.4	Very high	92.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-36.3	175.6	-74.3	170.8	0	0	0	112.4	V26 K27 V28 D34 K35 W38 I39 L42 V43 L77	V26-L30 HydrophobicContact CG1-CD1 4.43Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.24Å; K27-L30 PolarHBondContact O-N 3.2Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 2.85Å; L30-D34 PolarHBondContact O-N 3.13Å; L30-K35 HydrophobicContact CD2-CB 3.81Å; L30-K35 CarbonylContact O-C 3.55Å; L30-K35 WeakPolarHBondContact O-CA 3.48Å; L30-K35 PolarHBondContact O-N 2.97Å; L30-W38 HydrophobicContact CD1-CB 4.36Å; L30-W38 HydrophobicContact CD2-CB 4.12Å; L30-I39 HydrophobicContact CB-CG1 4.08Å; L30-I39 HydrophobicContact CD1-CG1 3.93Å; L30-L42 HydrophobicContact CD1-CB 4.48Å; L30-L42 HydrophobicContact CD1-CD1 4.19Å; L30-L42 HydrophobicContact CD2-CD1 4.27Å; L30-V43 HydrophobicContact CD1-CG2 4.29Å; L30-L77 HydrophobicContact CD2-CD1 3.94Å
31	Q	91.5	Very high	92.5	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-69.1	-40.8	175	-66	173.2	-22.3	0	0	111.9	K27 V28 W29 D34 I39	K27-Q31 WeakPolarHBondContact O-CG 3.48Å; K27-Q31 PolarHBondContact O-N 3.25Å; V28-Q31 WeakPolarHBondContact O-CB 3.44Å; V28-Q31 PolarHBondContact O-N 3.47Å; V28-Q31 VanDerWaalsContact O-N 3.1Å; W29-Q31 PolarHBondContact O-N 3.38Å; Q31-D34 PolarHBondContact O-N 2.83Å; Q31-I39 HydrophobicContact CG-CD1 3.83Å
32	I	88.1	Confident	92.7	Very high	43 Å²	43	45.8 Å²	45.8	22%	0.221	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-38.6	179.3	-68.9	166.3	0	0	0	111.6	V28 W29 D34 Y99 C102	V28-I32 HydrophobicContact CG1-CD1 3.98Å; V28-I32 HydrophobicContact CG1-CG1 4.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.44Å; V28-I32 PolarHBondContact O-N 2.87Å; W29-I32 PolarHBondContact O-N 3.39Å; I32-D34 VanDerWaalsContact C-N 3.27Å; I32-D34 PolarHBondContact O-N 2.84Å; I32-Y99 HydrophobicContact CD1-CD2 3.8Å; I32-Y99 HydrophobicContact CD1-CG 4.32Å; I32-C102 HydrophobicContact CG1-CB 4.24Å
33	V	89.9	Confident	92.9	Very high	42 Å²	42	43 Å²	43	26%	0.255	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	11	180	-59.8	0	0	0	0	113.9	W29 K35 C80	W29-V33 HydrophobicContact CD2-CG2 4.27Å; W29-V33 HydrophobicContact CH2-CG2 4.23Å; W29-V33 HydrophobicContact CZ2-CG1 4.2Å; W29-V33 HydrophobicContact CZ2-CG2 3.97Å; W29-V33 HydrophobicContact CZ3-CG2 4.49Å; W29-V33 WeakPolarHBondContact O-CG2 3.25Å; W29-V33 PolarHBondContact O-N 3.13Å; V33-K35 HydrophobicContact CG2-CB 4.01Å; V33-K35 HydrophobicContact CG2-CG 3.85Å; V33-K35 PolarHBondContact O-N 3.2Å; V33-C80 HydrophobicContact CG2-CB 4.46Å
34	D	91.6	Very high	93	Very high	124 Å²	124	47.3 Å²	47.3	66%	0.663	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	49.7	-178.6	-162.5	31.7	0	0	0	113.2	L30 Q31 I32	L30-D34 PolarHBondContact O-N 3.13Å; Q31-D34 PolarHBondContact O-N 2.83Å; I32-D34 VanDerWaalsContact C-N 3.27Å; I32-D34 PolarHBondContact O-N 2.84Å
35	K	94.6	Very high	93.1	Very high	30 Å²	30	48.9 Å²	48.9	13%	0.13	25%	0.247	C	C	.	.			trans	-125.4	34.8	175.5	-63.2	-61.6	168.4	-152.6	0	111.9	L30 V33 E37 W38 S76 L77	L30-K35 HydrophobicContact CD2-CB 3.81Å; L30-K35 CarbonylContact O-C 3.55Å; L30-K35 WeakPolarHBondContact O-CA 3.48Å; L30-K35 PolarHBondContact O-N 2.97Å; V33-K35 HydrophobicContact CG2-CB 4.01Å; V33-K35 HydrophobicContact CG2-CG 3.85Å; V33-K35 PolarHBondContact O-N 3.2Å; K35-E37 VanDerWaalsContact CA-OE2 3.24Å; K35-E37 WeakPolarHBondContact CA-OE2 3.28Å; K35-E37 WeakPolarHBondContact CD-OE1 3.49Å; K35-E37 IonicContact NZ-OE1 3.94Å; K35-E37 PolarHBondContact O-N 3.19Å; K35-W38 WeakPolarHBondContact O-CB 3.34Å; K35-W38 PolarHBondContact O-N 2.81Å; K35-S76 WeakPolarHBondContact CE-OG 3.37Å; K35-S76 PolarHBondContact NZ-OG 3.03Å; K35-L77 HydrophobicContact CB-CD1 4.38Å; K35-L77 HydrophobicContact CG-CD1 4.35Å
36	S	94.3	Very high	93.3	Very high	65 Å²	65	52.7 Å²	52.7	46%	0.455	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-61.6	-25.1	-176.2	66.8	0	0	0	0	113.5	W38 I39	S36-W38 PolarHBondContact O-N 2.99Å; S36-I39 WeakPolarHBondContact O-CB 3.22Å; S36-I39 WeakPolarHBondContact O-CD1 3.44Å; S36-I39 VanDerWaalsContact O-CG1 3.28Å; S36-I39 WeakPolarHBondContact O-CG1 3.34Å; S36-I39 PolarHBondContact O-N 3.15Å; S36-I39 VanDerWaalsContact O-N 3.13Å
37	E	95.1	Very high	93.4	Very high	66 Å²	66	58 Å²	58	31%	0.308	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.9	173.8	71.4	-78.2	-175.4	0	0	112.9	K35 Y69	K35-E37 VanDerWaalsContact CA-OE2 3.24Å; K35-E37 WeakPolarHBondContact CA-OE2 3.28Å; K35-E37 WeakPolarHBondContact CD-OE1 3.49Å; K35-E37 IonicContact NZ-OE1 3.94Å; K35-E37 PolarHBondContact O-N 3.19Å; E37-Y69 HydrophobicContact CG-CE1 4.26Å; E37-Y69 WeakPolarHBondContact O-CE1 3.43Å; E37-Y69 PolarHBondContact O-OH 3.14Å
38	W	96.3	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-84.8	-11.7	179	-70	90.6	0	0	0	114	L30 K35 S36 K40 F41 L42 A64 Y69 E73 L74 L77	L30-W38 HydrophobicContact CD1-CB 4.36Å; L30-W38 HydrophobicContact CD2-CB 4.12Å; K35-W38 WeakPolarHBondContact O-CB 3.34Å; K35-W38 PolarHBondContact O-N 2.81Å; S36-W38 PolarHBondContact O-N 2.99Å; W38-K40 VanDerWaalsContact C-N 3.31Å; W38-K40 PolarHBondContact O-N 3.38Å; W38-F41 HydrophobicContact CE3-CD1 4.3Å; W38-F41 HydrophobicContact CZ3-CD1 4.27Å; W38-F41 PolarHBondContact O-N 2.97Å; W38-F41 VanDerWaalsContact O-N 3.08Å; W38-L42 HydrophobicContact CB-CD1 3.98Å; W38-L42 HydrophobicContact CB-CG 4.35Å; W38-L42 HydrophobicContact CE3-CG 4.39Å; W38-L42 PolarHBondContact O-N 3.32Å; W38-A64 HydrophobicContact CH2-CB 3.92Å; W38-A64 HydrophobicContact CZ3-CB 3.64Å; W38-Y69 HydrophobicContact CD2-CD1 4.34Å; W38-Y69 HydrophobicContact CD2-CE1 4.11Å; W38-Y69 HydrophobicContact CE3-CE1 4.32Å; W38-Y69 HydrophobicContact CH2-CD1 4.05Å; W38-Y69 HydrophobicContact CH2-CG 4.07Å; W38-Y69 AromaticContact CZ2-CD1 3.84Å; W38-Y69 HydrophobicContact CZ2-CD1 3.84Å; W38-Y69 HydrophobicContact CZ2-CE1 4.43Å; W38-Y69 HydrophobicContact CZ2-CG 4.28Å; W38-Y69 HydrophobicContact CZ3-CD1 4.39Å; W38-Y69 HydrophobicContact CZ3-CG 4.4Å; W38-E73 HydrophobicContact CZ2-CB 4.08Å; W38-L74 HydrophobicContact CH2-CB 3.94Å; W38-L74 HydrophobicContact CH2-CG 4.35Å; W38-L74 HydrophobicContact CZ2-CB 4.14Å; W38-L77 HydrophobicContact CB-CD2 4.45Å; W38-L77 HydrophobicContact CD2-CB 4.33Å; W38-L77 HydrophobicContact CD2-CD2 3.35Å; W38-L77 HydrophobicContact CD2-CG 4.29Å; W38-L77 HydrophobicContact CE3-CD2 3.43Å; W38-L77 VanDerWaalsContact CE3-CD2 3.43Å; W38-L77 HydrophobicContact CG-CD1 4.31Å; W38-L77 HydrophobicContact CG-CD2 3.8Å; W38-L77 HydrophobicContact CG-CG 4.44Å; W38-L77 HydrophobicContact CH2-CD2 4.18Å; W38-L77 HydrophobicContact CZ2-CB 4.17Å; W38-L77 HydrophobicContact CZ2-CD2 4.13Å; W38-L77 HydrophobicContact CZ3-CD2 3.84Å
39	I	95.9	Very high	93.7	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-47.7	-178.1	-67.3	170.3	0	0	0	110.2	K27 L30 Q31 S36 F41 V43 D44	K27-I39 HydrophobicContact CD-CG2 4.39Å; K27-I39 HydrophobicContact CG-CD1 4.1Å; K27-I39 HydrophobicContact CG-CG1 4.25Å; K27-I39 HydrophobicContact CG-CG2 4.03Å; L30-I39 HydrophobicContact CB-CG1 4.08Å; L30-I39 HydrophobicContact CD1-CG1 3.93Å; Q31-I39 HydrophobicContact CG-CD1 3.83Å; S36-I39 WeakPolarHBondContact O-CB 3.22Å; S36-I39 WeakPolarHBondContact O-CD1 3.44Å; S36-I39 VanDerWaalsContact O-CG1 3.28Å; S36-I39 WeakPolarHBondContact O-CG1 3.34Å; S36-I39 PolarHBondContact O-N 3.15Å; S36-I39 VanDerWaalsContact O-N 3.13Å; I39-F41 VanDerWaalsContact C-N 3.25Å; I39-F41 PolarHBondContact O-N 2.77Å; I39-V43 HydrophobicContact CG2-CB 4.14Å; I39-V43 HydrophobicContact CG2-CG2 4.47Å; I39-V43 WeakPolarHBondContact O-CA 3.39Å; I39-V43 VanDerWaalsContact O-CB 3.25Å; I39-V43 WeakPolarHBondContact O-CB 3.49Å; I39-V43 PolarHBondContact O-N 3.22Å; I39-D44 PolarHBondContact O-N 3.45Å; I39-D44 VanDerWaalsContact O-N 3.12Å
40	K	94.6	Very high	93.7	Very high	123 Å²	123	56.8 Å²	56.8	54%	0.535	28%	0.277	S	S	.	.	I	π-helix	trans	-60.3	-35.6	-179.6	-173.3	173.7	-176.5	177.3	0	113	W38 D44 R45	W38-K40 VanDerWaalsContact C-N 3.31Å; W38-K40 PolarHBondContact O-N 3.38Å; K40-D44 WeakPolarHBondContact CA-OD2 3.37Å; K40-R45 VanDerWaalsContact O-CG 3.29Å; K40-R45 WeakPolarHBondContact O-CG 3.46Å; K40-R45 PolarHBondContact O-N 3.14Å
41	F	95.5	Very high	93.7	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.031	29%	0.29	C	S	.	.	I	π-helix	trans	-83	-47	-178	-173.6	-94.8	0	0	0	112.5	W38 I39 R45 R46 L61 A63 A64 Y69	W38-F41 HydrophobicContact CE3-CD1 4.3Å; W38-F41 HydrophobicContact CZ3-CD1 4.27Å; W38-F41 PolarHBondContact O-N 2.97Å; W38-F41 VanDerWaalsContact O-N 3.08Å; I39-F41 VanDerWaalsContact C-N 3.25Å; I39-F41 PolarHBondContact O-N 2.77Å; F41-R45 WeakPolarHBondContact O-CB 3.32Å; F41-R46 WeakPolarHBondContact O-CG 3.49Å; F41-R46 PolarHBondContact O-N 3.35Å; F41-L61 HydrophobicContact CE1-CD2 4.11Å; F41-A63 HydrophobicContact CZ-CB 4.25Å; F41-A64 HydrophobicContact CD1-CB 4.19Å; F41-A64 HydrophobicContact CD2-CB 4.27Å; F41-A64 HydrophobicContact CE1-CB 3.87Å; F41-A64 HydrophobicContact CE2-CB 3.94Å; F41-A64 HydrophobicContact CG-CB 4.38Å; F41-A64 HydrophobicContact CZ-CB 3.73Å; F41-Y69 HydrophobicContact CB-CE2 3.94Å; F41-Y69 HydrophobicContact CD2-CE2 4.28Å; F41-Y69 HydrophobicContact CG-CE2 4.28Å
42	L	95.8	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-83.2	-45.9	-174.7	-63	178.1	0	0	0	112.3	L30 W38 R46 N47 V48 L56 L61 L77	L30-L42 HydrophobicContact CD1-CB 4.48Å; L30-L42 HydrophobicContact CD1-CD1 4.19Å; L30-L42 HydrophobicContact CD2-CD1 4.27Å; W38-L42 HydrophobicContact CB-CD1 3.98Å; W38-L42 HydrophobicContact CB-CG 4.35Å; W38-L42 HydrophobicContact CE3-CG 4.39Å; W38-L42 PolarHBondContact O-N 3.32Å; L42-R46 CarbonylContact O-C 3.38Å; L42-R46 WeakPolarHBondContact O-CB 3.23Å; L42-N47 PolarHBondContact O-N 3.14Å; L42-N47 VanDerWaalsContact O-N 3.1Å; L42-V48 HydrophobicContact CB-CB 4.27Å; L42-V48 HydrophobicContact CB-CG2 4.19Å; L42-V48 HydrophobicContact CD2-CG2 4.18Å; L42-V48 WeakPolarHBondContact O-CB 3.5Å; L42-V48 VanDerWaalsContact O-CG2 3.3Å; L42-V48 WeakPolarHBondContact O-CG2 3.48Å; L42-V48 PolarHBondContact O-N 3.29Å; L42-L56 HydrophobicContact CD2-CD1 4.22Å; L42-L61 HydrophobicContact CD2-CD2 3.68Å; L42-L77 HydrophobicContact CD1-CD2 3.87Å
43	V	94.8	Very high	94.2	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.048	27%	0.271	C	S	.	.	I	π-helix	trans	-85.3	-61.8	-175.5	171.3	0	0	0	0	109.8	T23 K27 L30 I39 R45 N47	T23-V43 HydrophobicContact CG2-CB 4.16Å; T23-V43 HydrophobicContact CG2-CG1 3.68Å; T23-V43 HydrophobicContact CG2-CG2 4.19Å; K27-V43 HydrophobicContact CB-CG1 4.43Å; K27-V43 HydrophobicContact CB-CG2 3.92Å; K27-V43 HydrophobicContact CD-CG1 4.46Å; L30-V43 HydrophobicContact CD1-CG2 4.29Å; I39-V43 HydrophobicContact CG2-CB 4.14Å; I39-V43 HydrophobicContact CG2-CG2 4.47Å; I39-V43 WeakPolarHBondContact O-CA 3.39Å; I39-V43 VanDerWaalsContact O-CB 3.25Å; I39-V43 WeakPolarHBondContact O-CB 3.49Å; I39-V43 PolarHBondContact O-N 3.22Å; V43-R45 PolarHBondContact O-N 2.93Å; V43-N47 VanDerWaalsContact O-CA 3.26Å; V43-N47 WeakPolarHBondContact O-CA 3.41Å; V43-N47 PolarHBondContact O-N 3.02Å
44	D	94.4	Very high	94.3	Very high	110 Å²	110	51.6 Å²	51.6	59%	0.588	26%	0.261	S	S	*	.	I	π-helix	trans	-70	-38.1	-169.7	-55.8	-17.4	0	0	0	112.8	I39 K40	I39-D44 PolarHBondContact O-N 3.45Å; I39-D44 VanDerWaalsContact O-N 3.12Å; K40-D44 WeakPolarHBondContact CA-OD2 3.37Å
45	R	93.8	Very high	94.4	Very high	148 Å²	148	49.4 Å²	49.4	56%	0.558	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-35.6	-175.9	-72.3	175.7	179.9	-176.5	-0.1	114.1	K40 F41 V43	K40-R45 VanDerWaalsContact O-CG 3.29Å; K40-R45 WeakPolarHBondContact O-CG 3.46Å; K40-R45 PolarHBondContact O-N 3.14Å; F41-R45 WeakPolarHBondContact O-CB 3.32Å; V43-R45 PolarHBondContact O-N 2.93Å
46	R	93.8	Very high	94.4	Very high	117 Å²	117	48.6 Å²	48.6	44%	0.442	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-7.8	-173.2	-70.2	-159.8	178.1	-149.6	0.2	114.3	F41 L42 V48 D60	F41-R46 WeakPolarHBondContact O-CG 3.49Å; F41-R46 PolarHBondContact O-N 3.35Å; L42-R46 CarbonylContact O-C 3.38Å; L42-R46 WeakPolarHBondContact O-CB 3.23Å; R46-V48 HydrophobicContact CB-CG2 3.79Å; R46-V48 PolarHBondContact O-N 2.82Å; R46-D60 PolarHBondContact NH1-O 3.45Å; R46-D60 VanDerWaalsContact NH1-O 3.16Å
47	N	94.8	Very high	94.4	Very high	111 Å²	111	53.3 Å²	53.3	59%	0.594	26%	0.26	S	S	*	.			trans	49.4	42	-178.8	-162.8	55.8	0	0	0	112.8	T23 L42 V43 D49	T23-N47 PolarHBondContact OG1-OD1 2.71Å; L42-N47 PolarHBondContact O-N 3.14Å; L42-N47 VanDerWaalsContact O-N 3.1Å; V43-N47 VanDerWaalsContact O-CA 3.26Å; V43-N47 WeakPolarHBondContact O-CA 3.41Å; V43-N47 PolarHBondContact O-N 3.02Å; N47-D49 PolarHBondContact O-N 3.35Å
48	V	94.4	Very high	94.2	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.048	26%	0.261	C	S	.	.			trans	-65.6	116.5	-176.6	172	0	0	0	0	109.8	T23 L42 R46 A52 L53 L56	T23-V48 WeakPolarHBondContact CG2-O 3.3Å; L42-V48 HydrophobicContact CB-CB 4.27Å; L42-V48 HydrophobicContact CB-CG2 4.19Å; L42-V48 HydrophobicContact CD2-CG2 4.18Å; L42-V48 WeakPolarHBondContact O-CB 3.5Å; L42-V48 VanDerWaalsContact O-CG2 3.3Å; L42-V48 WeakPolarHBondContact O-CG2 3.48Å; L42-V48 PolarHBondContact O-N 3.29Å; R46-V48 HydrophobicContact CB-CG2 3.79Å; R46-V48 PolarHBondContact O-N 2.82Å; V48-A52 HydrophobicContact CB-CB 4.46Å; V48-A52 HydrophobicContact CG1-CB 3.87Å; V48-L53 HydrophobicContact CG1-CB 3.94Å; V48-L56 HydrophobicContact CG1-CD1 4.42Å
49	D	94	Very high	94.1	Very high	68 Å²	68	59.6 Å²	59.6	36%	0.364	29%	0.288	S	S	.	.			trans	-90.4	-176.6	170.1	63.9	17	0	0	0	111.3	W21 N47 A51 A52 L53	W21-D49 WeakPolarHBondContact O-CB 3.49Å; N47-D49 PolarHBondContact O-N 3.35Å; D49-A51 PolarHBondContact OD1-N 2.83Å; D49-A52 PolarHBondContact O-N 3.18Å; D49-A52 VanDerWaalsContact OD1-CB 3.22Å; D49-A52 WeakPolarHBondContact OD1-CB 3.45Å; D49-A52 PolarHBondContact OD1-N 3.46Å; D49-L53 WeakPolarHBondContact O-CB 3.39Å; D49-L53 PolarHBondContact O-N 3.35Å
50	G	91.7	Very high	93.9	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-51.4	179.4	0	0	0	0	0	113.8	A18 W21 A52 L53 M54	A18-G50 CarbonylContact O-C 3.45Å; A18-G50 WeakPolarHBondContact O-CA 3.34Å; W21-G50 PolarHBondContact O-N 3.38Å; G50-A52 VanDerWaalsContact C-N 3.34Å; G50-A52 PolarHBondContact O-N 2.88Å; G50-L53 WeakPolarHBondContact O-CB 3.49Å; G50-L53 PolarHBondContact O-N 3.23Å; G50-M54 WeakPolarHBondContact O-CB 3.38Å; G50-M54 WeakPolarHBondContact O-CG 3.49Å; G50-M54 PolarHBondContact O-N 3.29Å
51	A	93.5	Very high	93.8	Very high	34 Å²	34	56.1 Å²	56.1	28%	0.281	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-42.7	178.3	0	0	0	0	0	112.3	M19 D49 M54 S55	M19-A51 HydrophobicContact CE-CB 3.91Å; M19-A51 PolarHBondContact O-N 3.09Å; D49-A51 PolarHBondContact OD1-N 2.83Å; A51-M54 PolarHBondContact O-N 3.48Å; A51-S55 WeakPolarHBondContact O-CB 3.39Å; A51-S55 PolarHBondContact O-N 3.46Å; A51-S55 VanDerWaalsContact O-N 3.09Å; A51-S55 PolarHBondContact O-OG 3.19Å
52	A	95.2	Very high	93.6	Very high	34 Å²	34	59 Å²	59	28%	0.281	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-47.7	174.4	0	0	0	0	0	111.1	V48 D49 G50 M54 S55 L56	V48-A52 HydrophobicContact CB-CB 4.46Å; V48-A52 HydrophobicContact CG1-CB 3.87Å; D49-A52 PolarHBondContact O-N 3.18Å; D49-A52 VanDerWaalsContact OD1-CB 3.22Å; D49-A52 WeakPolarHBondContact OD1-CB 3.45Å; D49-A52 PolarHBondContact OD1-N 3.46Å; G50-A52 VanDerWaalsContact C-N 3.34Å; G50-A52 PolarHBondContact O-N 2.88Å; A52-M54 VanDerWaalsContact C-N 3.33Å; A52-M54 PolarHBondContact O-N 3.32Å; A52-S55 WeakPolarHBondContact CA-OG 3.44Å; A52-S55 PolarHBondContact O-N 2.92Å; A52-S55 VanDerWaalsContact O-N 3.15Å; A52-S55 PolarHBondContact O-OG 3.46Å; A52-L56 WeakPolarHBondContact O-CG 3.42Å; A52-L56 PolarHBondContact O-N 3.18Å
53	L	95.1	Very high	93.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-46	177.6	-177.5	70.4	0	0	0	111.9	W21 V26 W29 V48 D49 G50 S55 L56 I81 L84 R85	W21-L53 HydrophobicContact CZ3-CD2 4.38Å; V26-L53 HydrophobicContact CG1-CD1 4.42Å; V26-L53 HydrophobicContact CG1-CD2 4.11Å; V26-L53 HydrophobicContact CG2-CB 4.47Å; V26-L53 HydrophobicContact CG2-CD2 4.17Å; W29-L53 HydrophobicContact CD2-CD2 4.25Å; W29-L53 HydrophobicContact CE3-CD1 4.35Å; W29-L53 HydrophobicContact CE3-CD2 3.74Å; W29-L53 HydrophobicContact CH2-CD1 4.28Å; W29-L53 HydrophobicContact CH2-CD2 4.45Å; W29-L53 HydrophobicContact CZ3-CD1 3.72Å; W29-L53 HydrophobicContact CZ3-CD2 3.86Å; W29-L53 HydrophobicContact CZ3-CG 4.38Å; V48-L53 HydrophobicContact CG1-CB 3.94Å; D49-L53 WeakPolarHBondContact O-CB 3.39Å; D49-L53 PolarHBondContact O-N 3.35Å; G50-L53 WeakPolarHBondContact O-CB 3.49Å; G50-L53 PolarHBondContact O-N 3.23Å; L53-S55 PolarHBondContact O-N 3.33Å; L53-L56 HydrophobicContact CD1-CD1 4.17Å; L53-L56 PolarHBondContact O-N 3.1Å; L53-I81 HydrophobicContact CD1-CD1 3.93Å; L53-I81 HydrophobicContact CD1-CG1 3.96Å; L53-L84 HydrophobicContact CD2-CD2 3.53Å; L53-L84 HydrophobicContact CG-CD2 4.23Å; L53-R85 PolarHBondContact O-NH2 3.25Å
54	M	92	Very high	93.2	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-70.7	-17.6	-178.3	-67.4	-63.4	-81.4	0	0	113	L13 A18 M19 G50 A51 A52 L84 R85 Q88	L13-M54 HydrophobicContact CD2-CE 3.65Å; A18-M54 HydrophobicContact CB-CE 4.18Å; A18-M54 HydrophobicContact CB-CG 4.12Å; A18-M54 HydrophobicContact CB-SD 4.04Å; M19-M54 HydrophobicContact SD-CB 3.6Å; M19-M54 HydrophobicContact SD-CG 4.06Å; G50-M54 WeakPolarHBondContact O-CB 3.38Å; G50-M54 WeakPolarHBondContact O-CG 3.49Å; G50-M54 PolarHBondContact O-N 3.29Å; A51-M54 PolarHBondContact O-N 3.48Å; A52-M54 VanDerWaalsContact C-N 3.33Å; A52-M54 PolarHBondContact O-N 3.32Å; M54-L84 HydrophobicContact SD-CD2 3.83Å; M54-L84 HydrophobicContact SD-CG 3.94Å; M54-R85 VanDerWaalsContact C-NH2 3.33Å; M54-R85 HydrophobicContact CE-CB 4.48Å; M54-R85 HydrophobicContact CE-CG 3.89Å; M54-R85 PolarHBondContact O-NE 3.39Å; M54-R85 PolarHBondContact O-NH2 3.28Å; M54-R85 HydrophobicContact SD-CG 3.94Å; M54-Q88 HydrophobicContact CE-CB 4.13Å; M54-Q88 HydrophobicContact CE-CG 4.12Å
55	S	93.8	Very high	93.1	Very high	77 Å²	77	58 Å²	58	54%	0.538	29%	0.291	S	S	.	.	H	α-helix	trans	-100.7	-13.3	175.8	58.6	0	0	0	0	114.6	A51 A52 L53 R57	A51-S55 WeakPolarHBondContact O-CB 3.39Å; A51-S55 PolarHBondContact O-N 3.46Å; A51-S55 VanDerWaalsContact O-N 3.09Å; A51-S55 PolarHBondContact O-OG 3.19Å; A52-S55 WeakPolarHBondContact CA-OG 3.44Å; A52-S55 PolarHBondContact O-N 2.92Å; A52-S55 VanDerWaalsContact O-N 3.15Å; A52-S55 PolarHBondContact O-OG 3.46Å; L53-S55 PolarHBondContact O-N 3.33Å; S55-R57 PolarHBondContact O-N 3.18Å
56	L	93.7	Very high	93	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	31%	0.305	C	S	.	.			trans	-51.5	128	-178.1	-85.1	173.1	0	0	0	113.4	L42 V48 A52 L53 D60 L61 I81 R85	L42-L56 HydrophobicContact CD2-CD1 4.22Å; V48-L56 HydrophobicContact CG1-CD1 4.42Å; A52-L56 WeakPolarHBondContact O-CG 3.42Å; A52-L56 PolarHBondContact O-N 3.18Å; L53-L56 HydrophobicContact CD1-CD1 4.17Å; L53-L56 PolarHBondContact O-N 3.1Å; L56-D60 HydrophobicContact CD2-CB 3.74Å; L56-L61 HydrophobicContact CD1-CD2 4.21Å; L56-L61 HydrophobicContact CD2-CD2 3.85Å; L56-L61 HydrophobicContact CD2-CG 4.23Å; L56-I81 HydrophobicContact CB-CD1 4.37Å; L56-I81 HydrophobicContact CD1-CD1 4.03Å; L56-R85 PolarHBondContact O-NH1 2.93Å; L56-R85 PolarHBondContact O-NH2 3.05Å
57	R	93.6	Very high	92.8	Very high	164 Å²	164	58.4 Å²	58.4	62%	0.619	30%	0.303	S	S	*	.			trans	-104.1	163.2	168.4	-56.2	-176.1	-176.9	-170	1.2	109.5	S55 E59 D60	S55-R57 PolarHBondContact O-N 3.18Å; R57-E59 WeakPolarHBondContact CB-OE2 3.01Å; R57-E59 PolarHBondContact O-N 2.85Å; R57-D60 WeakPolarHBondContact CA-OD2 3.49Å; R57-D60 WeakPolarHBondContact CB-OD2 3.35Å; R57-D60 PolarHBondContact N-OD2 2.93Å; R57-D60 WeakPolarHBondContact O-CB 3.18Å; R57-D60 PolarHBondContact O-N 3.22Å; R57-D60 VanDerWaalsContact O-N 3.14Å
58	K	92.2	Very high	92.7	Very high	75 Å²	75	56.3 Å²	56.3	33%	0.326	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.3	177.2	-174.1	170.1	172.6	172.6	0	110.9	D60 L61 N62 L74 N75 M78	K58-D60 VanDerWaalsContact C-N 3.29Å; K58-D60 PolarHBondContact O-N 3.42Å; K58-L61 PolarHBondContact O-N 3.39Å; K58-N62 PolarHBondContact O-N 3.45Å; K58-L74 HydrophobicContact CD-CD2 4.02Å; K58-L74 HydrophobicContact CG-CD2 3.63Å; K58-N75 WeakPolarHBondContact CE-OD1 3.36Å; K58-N75 PolarHBondContact NZ-OD1 3.22Å; K58-M78 HydrophobicContact CB-CE 4.36Å; K58-M78 HydrophobicContact CB-CG 4.42Å
59	E	92.9	Very high	92.7	Very high	122 Å²	122	57.7 Å²	57.7	57%	0.57	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.5	-37.3	178.2	-55.4	89.1	-125.3	0	0	113	R57 L61 N62	R57-E59 WeakPolarHBondContact CB-OE2 3.01Å; R57-E59 PolarHBondContact O-N 2.85Å; E59-L61 PolarHBondContact O-N 2.8Å; E59-N62 WeakPolarHBondContact O-CB 3.46Å; E59-N62 PolarHBondContact O-N 3.09Å
60	D	92.2	Very high	92.8	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.4	-178.1	-57.9	-44.7	0	0	0	112.5	R46 L56 R57 K58	R46-D60 PolarHBondContact NH1-O 3.45Å; R46-D60 VanDerWaalsContact NH1-O 3.16Å; L56-D60 HydrophobicContact CD2-CB 3.74Å; R57-D60 WeakPolarHBondContact CA-OD2 3.49Å; R57-D60 WeakPolarHBondContact CB-OD2 3.35Å; R57-D60 PolarHBondContact N-OD2 2.93Å; R57-D60 WeakPolarHBondContact O-CB 3.18Å; R57-D60 PolarHBondContact O-N 3.22Å; R57-D60 VanDerWaalsContact O-N 3.14Å; K58-D60 VanDerWaalsContact C-N 3.29Å; K58-D60 PolarHBondContact O-N 3.42Å
61	L	92.7	Very high	92.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-97.7	-2.9	-178.7	-59.6	-177.1	0	0	0	113.5	F41 L42 L56 K58 E59 A63 A64 L74 L77 M78	F41-L61 HydrophobicContact CE1-CD2 4.11Å; L42-L61 HydrophobicContact CD2-CD2 3.68Å; L56-L61 HydrophobicContact CD1-CD2 4.21Å; L56-L61 HydrophobicContact CD2-CD2 3.85Å; L56-L61 HydrophobicContact CD2-CG 4.23Å; K58-L61 PolarHBondContact O-N 3.39Å; E59-L61 PolarHBondContact O-N 2.8Å; L61-A63 PolarHBondContact O-N 3.23Å; L61-A63 VanDerWaalsContact O-N 3.1Å; L61-A64 WeakPolarHBondContact O-CB 3.24Å; L61-A64 PolarHBondContact O-N 2.73Å; L61-L74 HydrophobicContact CB-CD1 3.86Å; L61-L74 HydrophobicContact CB-CG 4.31Å; L61-L74 WeakPolarHBondContact O-CD1 3.49Å; L61-L77 HydrophobicContact CD1-CD2 3.75Å; L61-M78 HydrophobicContact CD1-CG 4.43Å; L61-M78 HydrophobicContact CD1-SD 3.69Å
62	N	91.5	Very high	93	Very high	66 Å²	66	68.1 Å²	68.1	35%	0.353	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-28.7	178.2	-78.7	-20.1	0	0	0	112.6	K58 E59 A64 L65	K58-N62 PolarHBondContact O-N 3.45Å; E59-N62 WeakPolarHBondContact O-CB 3.46Å; E59-N62 PolarHBondContact O-N 3.09Å; N62-A64 PolarHBondContact O-N 3.49Å; N62-L65 WeakPolarHBondContact O-CB 3.44Å; N62-L65 PolarHBondContact O-N 3.3Å
63	A	91.2	Very high	93	Very high	39 Å²	39	69.7 Å²	69.7	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-24.1	173.3	0	0	0	0	0	113.7	F41 L61 L65 Y66 S67	F41-A63 HydrophobicContact CZ-CB 4.25Å; L61-A63 PolarHBondContact O-N 3.23Å; L61-A63 VanDerWaalsContact O-N 3.1Å; A63-L65 VanDerWaalsContact C-N 3.3Å; A63-Y66 PolarHBondContact O-N 3.34Å; A63-S67 PolarHBondContact O-N 2.82Å; A63-S67 PolarHBondContact O-OG 2.97Å
64	A	91.5	Very high	93.1	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-31.4	175.2	0	0	0	0	0	111.7	W38 F41 L61 N62 Y66 S67 G68 Y69	W38-A64 HydrophobicContact CH2-CB 3.92Å; W38-A64 HydrophobicContact CZ3-CB 3.64Å; F41-A64 HydrophobicContact CD1-CB 4.19Å; F41-A64 HydrophobicContact CD2-CB 4.27Å; F41-A64 HydrophobicContact CE1-CB 3.87Å; F41-A64 HydrophobicContact CE2-CB 3.94Å; F41-A64 HydrophobicContact CG-CB 4.38Å; F41-A64 HydrophobicContact CZ-CB 3.73Å; L61-A64 WeakPolarHBondContact O-CB 3.24Å; L61-A64 PolarHBondContact O-N 2.73Å; N62-A64 PolarHBondContact O-N 3.49Å; A64-Y66 VanDerWaalsContact C-N 3.29Å; A64-Y66 PolarHBondContact O-N 2.96Å; A64-S67 CarbonylContact O-C 3.43Å; A64-S67 WeakPolarHBondContact O-CA 3.4Å; A64-S67 WeakPolarHBondContact O-CB 3.43Å; A64-S67 PolarHBondContact O-N 3.49Å; A64-G68 PolarHBondContact O-N 3.32Å; A64-Y69 HydrophobicContact CB-CD2 3.81Å; A64-Y69 HydrophobicContact CB-CG 4.26Å; A64-Y69 WeakPolarHBondContact O-CD2 3.46Å; A64-Y69 PolarHBondContact O-N 2.92Å
65	L	92.1	Very high	93.2	Very high	60 Å²	60	71.7 Å²	71.7	31%	0.314	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-38.9	178.1	-58	176.8	0	0	0	111.4	N62 A63 S67 G68 Y69 L71 L74	N62-L65 WeakPolarHBondContact O-CB 3.44Å; N62-L65 PolarHBondContact O-N 3.3Å; A63-L65 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 2.88Å; L65-G68 PolarHBondContact O-N 3.3Å; L65-Y69 WeakPolarHBondContact CA-O 3.38Å; L65-Y69 WeakPolarHBondContact CD2-O 3.21Å; L65-L71 HydrophobicContact CD1-CD1 4.43Å; L65-L74 HydrophobicContact CD1-CD1 4.46Å; L65-L74 HydrophobicContact CD2-CB 4.37Å; L65-L74 HydrophobicContact CD2-CD1 3.96Å; L65-L74 HydrophobicContact CG-CD1 4.04Å
66	Y	91.2	Very high	93.3	Very high	215 Å²	215	70 Å²	70	84%	0.843	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.4	173.4	-59.1	-75.5	0	0	0	113.5	A63 A64	A63-Y66 PolarHBondContact O-N 3.34Å; A64-Y66 VanDerWaalsContact C-N 3.29Å; A64-Y66 PolarHBondContact O-N 2.96Å
67	S	89	Confident	93.4	Very high	58 Å²	58	69.3 Å²	69.3	41%	0.406	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.2	178.6	-59.2	0	0	0	0	113.3	A63 A64 L65	A63-S67 PolarHBondContact O-N 2.82Å; A63-S67 PolarHBondContact O-OG 2.97Å; A64-S67 CarbonylContact O-C 3.43Å; A64-S67 WeakPolarHBondContact O-CA 3.4Å; A64-S67 WeakPolarHBondContact O-CB 3.43Å; A64-S67 PolarHBondContact O-N 3.49Å; L65-S67 PolarHBondContact O-N 2.88Å
68	G	92.7	Very high	93.6	Very high	67 Å²	67	62 Å²	62	69%	0.691	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	-0.2	176.3	0	0	0	0	0	115.6	A64 L65	A64-G68 PolarHBondContact O-N 3.32Å; L65-G68 PolarHBondContact O-N 3.3Å
69	Y	94.7	Very high	93.7	Very high	37 Å²	37	61.9 Å²	61.9	15%	0.145	33%	0.334	C	S	.	.			trans	-76.9	147.1	172.7	-65.1	-91.9	0	0	0	110.8	E37 W38 F41 A64 L65	E37-Y69 HydrophobicContact CG-CE1 4.26Å; E37-Y69 WeakPolarHBondContact O-CE1 3.43Å; E37-Y69 PolarHBondContact O-OH 3.14Å; W38-Y69 HydrophobicContact CD2-CD1 4.34Å; W38-Y69 HydrophobicContact CD2-CE1 4.11Å; W38-Y69 HydrophobicContact CE3-CE1 4.32Å; W38-Y69 HydrophobicContact CH2-CD1 4.05Å; W38-Y69 HydrophobicContact CH2-CG 4.07Å; W38-Y69 AromaticContact CZ2-CD1 3.84Å; W38-Y69 HydrophobicContact CZ2-CD1 3.84Å; W38-Y69 HydrophobicContact CZ2-CE1 4.43Å; W38-Y69 HydrophobicContact CZ2-CG 4.28Å; W38-Y69 HydrophobicContact CZ3-CD1 4.39Å; W38-Y69 HydrophobicContact CZ3-CG 4.4Å; F41-Y69 HydrophobicContact CB-CE2 3.94Å; F41-Y69 HydrophobicContact CD2-CE2 4.28Å; F41-Y69 HydrophobicContact CG-CE2 4.28Å; A64-Y69 HydrophobicContact CB-CD2 3.81Å; A64-Y69 HydrophobicContact CB-CG 4.26Å; A64-Y69 WeakPolarHBondContact O-CD2 3.46Å; A64-Y69 PolarHBondContact O-N 2.92Å; L65-Y69 WeakPolarHBondContact CA-O 3.38Å; L65-Y69 WeakPolarHBondContact CD2-O 3.21Å
70	T	95.5	Very high	93.8	Very high	70 Å²	70	57.4 Å²	57.4	43%	0.429	32%	0.315	S	S	.	.			trans	-83.9	159.5	175.7	65.8	0	0	0	0	111.6	E72 E73 L74	T70-E72 PolarHBondContact O-N 3.46Å; T70-E73 WeakPolarHBondContact CB-OE2 3.27Å; T70-E73 PolarHBondContact N-OE2 3.1Å; T70-E73 PolarHBondContact O-N 3.11Å; T70-E73 WeakPolarHBondContact OG1-CB 3.42Å; T70-E73 VanDerWaalsContact OG1-CD 3.29Å; T70-E73 VanDerWaalsContact OG1-CG 3.23Å; T70-E73 WeakPolarHBondContact OG1-CG 3.38Å; T70-E73 PolarHBondContact OG1-N 3.31Å; T70-E73 VanDerWaalsContact OG1-N 3.14Å; T70-E73 PolarHBondContact OG1-OE2 2.88Å; T70-L74 PolarHBondContact O-N 2.78Å; T70-L74 VanDerWaalsContact O-N 3.14Å
71	L	95	Very high	93.9	Very high	93 Å²	93	54 Å²	54	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-31.4	173.5	-174.2	64	0	0	0	111.9	L65 N75	L65-L71 HydrophobicContact CD1-CD1 4.43Å; L71-N75 WeakPolarHBondContact O-CB 3.47Å; L71-N75 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-ND2 2.91Å
72	E	95.5	Very high	93.9	Very high	157 Å²	157	59.5 Å²	59.5	73%	0.734	32%	0.318	S	S	*	.	H	α-helix	trans	-67.3	-49	178	-174.1	174	-178.6	0	0	111.6	T70 L74 N75 S76	T70-E72 PolarHBondContact O-N 3.46Å; E72-L74 VanDerWaalsContact C-N 3.27Å; E72-L74 PolarHBondContact O-N 3.26Å; E72-N75 PolarHBondContact O-N 3.33Å; E72-S76 WeakPolarHBondContact O-CB 3.16Å; E72-S76 PolarHBondContact O-N 2.88Å
73	E	95.3	Very high	93.9	Very high	67 Å²	67	59.8 Å²	59.8	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-58.2	-42.4	174.9	-71.5	161.9	141.7	0	0	111.2	W38 T70 S76 L77	W38-E73 HydrophobicContact CZ2-CB 4.08Å; T70-E73 WeakPolarHBondContact CB-OE2 3.27Å; T70-E73 PolarHBondContact N-OE2 3.1Å; T70-E73 PolarHBondContact O-N 3.11Å; T70-E73 WeakPolarHBondContact OG1-CB 3.42Å; T70-E73 VanDerWaalsContact OG1-CD 3.29Å; T70-E73 VanDerWaalsContact OG1-CG 3.23Å; T70-E73 WeakPolarHBondContact OG1-CG 3.38Å; T70-E73 PolarHBondContact OG1-N 3.31Å; T70-E73 VanDerWaalsContact OG1-N 3.14Å; T70-E73 PolarHBondContact OG1-OE2 2.88Å; E73-S76 PolarHBondContact O-N 3.03Å; E73-L77 PolarHBondContact O-N 3.46Å
74	L	95.9	Very high	93.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-42.7	178.7	178.9	156.2	0	0	0	111.8	W38 K58 L61 L65 T70 E72 S76 L77 M78	W38-L74 HydrophobicContact CH2-CB 3.94Å; W38-L74 HydrophobicContact CH2-CG 4.35Å; W38-L74 HydrophobicContact CZ2-CB 4.14Å; K58-L74 HydrophobicContact CD-CD2 4.02Å; K58-L74 HydrophobicContact CG-CD2 3.63Å; L61-L74 HydrophobicContact CB-CD1 3.86Å; L61-L74 HydrophobicContact CB-CG 4.31Å; L61-L74 WeakPolarHBondContact O-CD1 3.49Å; L65-L74 HydrophobicContact CD1-CD1 4.46Å; L65-L74 HydrophobicContact CD2-CB 4.37Å; L65-L74 HydrophobicContact CD2-CD1 3.96Å; L65-L74 HydrophobicContact CG-CD1 4.04Å; T70-L74 PolarHBondContact O-N 2.78Å; T70-L74 VanDerWaalsContact O-N 3.14Å; E72-L74 VanDerWaalsContact C-N 3.27Å; E72-L74 PolarHBondContact O-N 3.26Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-L77 PolarHBondContact O-N 2.95Å; L74-M78 HydrophobicContact CD2-CG 4.27Å; L74-M78 WeakPolarHBondContact O-CG 3.41Å; L74-M78 PolarHBondContact O-N 3.03Å
75	N	95.6	Very high	93.8	Very high	52 Å²	52	60.3 Å²	60.3	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-44.1	174.3	-73	-29.4	0	0	0	111.1	K58 L71 E72 L77 M78 D79	K58-N75 WeakPolarHBondContact CE-OD1 3.36Å; K58-N75 PolarHBondContact NZ-OD1 3.22Å; L71-N75 WeakPolarHBondContact O-CB 3.47Å; L71-N75 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-ND2 2.91Å; E72-N75 PolarHBondContact O-N 3.33Å; N75-L77 PolarHBondContact O-N 3.21Å; N75-M78 PolarHBondContact O-N 3.29Å; N75-M78 VanDerWaalsContact O-N 3.14Å; N75-D79 VanDerWaalsContact O-CG 3.27Å; N75-D79 PolarHBondContact O-N 3.42Å
76	S	95.9	Very high	93.5	Very high	42 Å²	42	62.8 Å²	62.8	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-43.7	178.7	-171.5	0	0	0	0	111.9	K35 E72 E73 L74 D79 C80	K35-S76 WeakPolarHBondContact CE-OG 3.37Å; K35-S76 PolarHBondContact NZ-OG 3.03Å; E72-S76 WeakPolarHBondContact O-CB 3.16Å; E72-S76 PolarHBondContact O-N 2.88Å; E73-S76 PolarHBondContact O-N 3.03Å; L74-S76 VanDerWaalsContact C-N 3.34Å; S76-D79 PolarHBondContact O-N 3.29Å; S76-C80 PolarHBondContact O-N 2.97Å; S76-C80 VanDerWaalsContact O-N 3.11Å; S76-C80 PolarHBondContact O-SG 2.91Å; S76-C80 VanDerWaalsContact O-SG 3.39Å
77	L	96.3	Very high	93.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-45	173	174.8	66.4	0	0	0	111.7	W29 L30 K35 W38 L42 L61 E73 L74 N75 D79 C80 I81	W29-L77 HydrophobicContact CH2-CD1 4.36Å; W29-L77 HydrophobicContact CZ3-CD1 4.47Å; L30-L77 HydrophobicContact CD2-CD1 3.94Å; K35-L77 HydrophobicContact CB-CD1 4.38Å; K35-L77 HydrophobicContact CG-CD1 4.35Å; W38-L77 HydrophobicContact CB-CD2 4.45Å; W38-L77 HydrophobicContact CD2-CB 4.33Å; W38-L77 HydrophobicContact CD2-CD2 3.35Å; W38-L77 HydrophobicContact CD2-CG 4.29Å; W38-L77 HydrophobicContact CE3-CD2 3.43Å; W38-L77 VanDerWaalsContact CE3-CD2 3.43Å; W38-L77 HydrophobicContact CG-CD1 4.31Å; W38-L77 HydrophobicContact CG-CD2 3.8Å; W38-L77 HydrophobicContact CG-CG 4.44Å; W38-L77 HydrophobicContact CH2-CD2 4.18Å; W38-L77 HydrophobicContact CZ2-CB 4.17Å; W38-L77 HydrophobicContact CZ2-CD2 4.13Å; W38-L77 HydrophobicContact CZ3-CD2 3.84Å; L42-L77 HydrophobicContact CD1-CD2 3.87Å; L61-L77 HydrophobicContact CD1-CD2 3.75Å; E73-L77 PolarHBondContact O-N 3.46Å; L74-L77 PolarHBondContact O-N 2.95Å; N75-L77 PolarHBondContact O-N 3.21Å; L77-D79 PolarHBondContact O-N 3.01Å; L77-C80 WeakPolarHBondContact O-CB 3.38Å; L77-C80 PolarHBondContact O-N 3.09Å; L77-C80 VanDerWaalsContact O-N 3.1Å; L77-I81 HydrophobicContact CD1-CD1 4.24Å; L77-I81 HydrophobicContact CD1-CG1 4.31Å; L77-I81 HydrophobicContact CD2-CD1 4.39Å; L77-I81 HydrophobicContact CG-CD1 3.97Å; L77-I81 HydrophobicContact CG-CG1 4.43Å; L77-I81 WeakPolarHBondContact O-CG1 3.39Å; L77-I81 PolarHBondContact O-N 3.28Å
78	M	96.1	Very high	93	Very high	9 Å²	9	51 Å²	51	4%	0.044	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-31.4	179.4	-72.8	-58.4	-57.6	0	0	112.5	K58 L61 L74 N75 I81 R82	K58-M78 HydrophobicContact CB-CE 4.36Å; K58-M78 HydrophobicContact CB-CG 4.42Å; L61-M78 HydrophobicContact CD1-CG 4.43Å; L61-M78 HydrophobicContact CD1-SD 3.69Å; L74-M78 HydrophobicContact CD2-CG 4.27Å; L74-M78 WeakPolarHBondContact O-CG 3.41Å; L74-M78 PolarHBondContact O-N 3.03Å; N75-M78 PolarHBondContact O-N 3.29Å; N75-M78 VanDerWaalsContact O-N 3.14Å; M78-I81 HydrophobicContact SD-CD1 4.24Å; M78-R82 WeakPolarHBondContact O-CB 3.34Å; M78-R82 WeakPolarHBondContact O-CG 3.48Å; M78-R82 PolarHBondContact O-N 3.11Å
79	D	95.5	Very high	92.5	Very high	74 Å²	74	50.5 Å²	50.5	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-68.6	-40.4	173	-65.5	-15.7	0	0	0	111.3	N75 S76 L77 R82 S83	N75-D79 VanDerWaalsContact O-CG 3.27Å; N75-D79 PolarHBondContact O-N 3.42Å; S76-D79 PolarHBondContact O-N 3.29Å; L77-D79 PolarHBondContact O-N 3.01Å; D79-R82 PolarHBondContact O-N 3.39Å; D79-R82 IonicContact OD1-CZ 3.99Å; D79-R82 IonicContact OD1-NH1 2.78Å; D79-R82 PolarHBondContact OD1-NH1 2.91Å; D79-R82 IonicContact OD1-NH2 3.67Å; D79-R82 PolarHBondContact OD1-NH2 3.11Å; D79-S83 WeakPolarHBondContact O-CB 3.44Å; D79-S83 PolarHBondContact O-N 3.38Å; D79-S83 PolarHBondContact O-OG 2.87Å
80	C	94.5	Very high	91.9	Very high	28 Å²	28	52.3 Å²	52.3	19%	0.189	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-44.4	172.7	-66.1	0	0	0	0	111.9	W29 V33 S76 L77 S83 L84	W29-C80 HydrophobicContact CH2-CB 4.23Å; W29-C80 HydrophobicContact CZ2-CB 4.13Å; V33-C80 HydrophobicContact CG2-CB 4.46Å; S76-C80 PolarHBondContact O-N 2.97Å; S76-C80 VanDerWaalsContact O-N 3.11Å; S76-C80 PolarHBondContact O-SG 2.91Å; S76-C80 VanDerWaalsContact O-SG 3.39Å; L77-C80 WeakPolarHBondContact O-CB 3.38Å; L77-C80 PolarHBondContact O-N 3.09Å; L77-C80 VanDerWaalsContact O-N 3.1Å; C80-S83 PolarHBondContact O-N 3.33Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 PolarHBondContact O-N 2.8Å
81	I	94	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177.2	-65.3	171.5	0	0	0	110.9	W29 L53 L56 L77 M78 S83 L84 R85	W29-I81 HydrophobicContact CH2-CG1 3.76Å; W29-I81 HydrophobicContact CZ3-CG1 4.45Å; L53-I81 HydrophobicContact CD1-CD1 3.93Å; L53-I81 HydrophobicContact CD1-CG1 3.96Å; L56-I81 HydrophobicContact CB-CD1 4.37Å; L56-I81 HydrophobicContact CD1-CD1 4.03Å; L77-I81 HydrophobicContact CD1-CD1 4.24Å; L77-I81 HydrophobicContact CD1-CG1 4.31Å; L77-I81 HydrophobicContact CD2-CD1 4.39Å; L77-I81 HydrophobicContact CG-CD1 3.97Å; L77-I81 HydrophobicContact CG-CG1 4.43Å; L77-I81 WeakPolarHBondContact O-CG1 3.39Å; L77-I81 PolarHBondContact O-N 3.28Å; M78-I81 HydrophobicContact SD-CD1 4.24Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 2.84Å; I81-L84 WeakPolarHBondContact O-CB 3.38Å; I81-L84 PolarHBondContact O-N 3.46Å; I81-R85 WeakPolarHBondContact O-CG 3.5Å; I81-R85 PolarHBondContact O-N 3.22Å
82	R	93	Very high	89.9	Confident	116 Å²	116	47.8 Å²	47.8	44%	0.438	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-41.9	174.8	-83.2	-175.7	-103.8	111.3	6.6	111.8	M78 D79 R85 I86	M78-R82 WeakPolarHBondContact O-CB 3.34Å; M78-R82 WeakPolarHBondContact O-CG 3.48Å; M78-R82 PolarHBondContact O-N 3.11Å; D79-R82 PolarHBondContact O-N 3.39Å; D79-R82 IonicContact OD1-CZ 3.99Å; D79-R82 IonicContact OD1-NH1 2.78Å; D79-R82 PolarHBondContact OD1-NH1 2.91Å; D79-R82 IonicContact OD1-NH2 3.67Å; D79-R82 PolarHBondContact OD1-NH2 3.11Å; R82-R85 PolarHBondContact O-N 3.38Å; R82-I86 WeakPolarHBondContact O-CG1 3.41Å; R82-I86 PolarHBondContact O-N 3.49Å; R82-I86 VanDerWaalsContact O-N 3.11Å
83	S	91	Very high	88.7	Confident	72 Å²	72	45.6 Å²	45.6	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-42.7	175.9	-57.3	0	0	0	0	111.5	D79 C80 I81 R85 I86 E87	D79-S83 WeakPolarHBondContact O-CB 3.44Å; D79-S83 PolarHBondContact O-N 3.38Å; D79-S83 PolarHBondContact O-OG 2.87Å; C80-S83 PolarHBondContact O-N 3.33Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 2.84Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 2.92Å; S83-I86 PolarHBondContact O-N 2.63Å; S83-E87 WeakPolarHBondContact O-CB 3.46Å; S83-E87 PolarHBondContact O-N 2.91Å
84	L	90.6	Very high	87.6	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-47.1	173.8	170.3	65.3	0	0	0	111.5	W21 W29 L53 M54 C80 I81 I86 E87 Q88 L95	W21-L84 HydrophobicContact CH2-CD1 3.86Å; W21-L84 HydrophobicContact CZ3-CD1 4.42Å; W21-L84 HydrophobicContact CZ3-CD2 4.3Å; W29-L84 HydrophobicContact CD2-CD2 4.34Å; W29-L84 HydrophobicContact CZ2-CB 4.06Å; W29-L84 HydrophobicContact CZ2-CD2 3.96Å; L53-L84 HydrophobicContact CD2-CD2 3.53Å; L53-L84 HydrophobicContact CG-CD2 4.23Å; M54-L84 HydrophobicContact SD-CD2 3.83Å; M54-L84 HydrophobicContact SD-CG 3.94Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 PolarHBondContact O-N 2.8Å; I81-L84 WeakPolarHBondContact O-CB 3.38Å; I81-L84 PolarHBondContact O-N 3.46Å; L84-I86 PolarHBondContact O-N 2.85Å; L84-E87 PolarHBondContact O-N 3.36Å; L84-Q88 HydrophobicContact CD1-CG 3.92Å; L84-Q88 HydrophobicContact CG-CG 4.42Å; L84-Q88 WeakPolarHBondContact O-CB 3.34Å; L84-Q88 VanDerWaalsContact O-CG 3.27Å; L84-Q88 WeakPolarHBondContact O-CG 3.45Å; L84-Q88 PolarHBondContact O-N 3.46Å; L84-L95 HydrophobicContact CD1-CD1 3.12Å
85	R	90.1	Very high	86.2	Confident	46 Å²	46	46.7 Å²	46.7	17%	0.174	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-45.2	178.3	-70.9	171.6	-174.5	162.2	9.5	112.2	L13 L53 M54 L56 I81 R82 S83 Q88 L89	L13-R85 HydrophobicContact CD1-CB 4.46Å; L13-R85 HydrophobicContact CD1-CG 4.37Å; L13-R85 HydrophobicContact CD2-CB 3.79Å; L13-R85 HydrophobicContact CD2-CG 4.03Å; L53-R85 PolarHBondContact O-NH2 3.25Å; M54-R85 VanDerWaalsContact C-NH2 3.33Å; M54-R85 HydrophobicContact CE-CB 4.48Å; M54-R85 HydrophobicContact CE-CG 3.89Å; M54-R85 PolarHBondContact O-NE 3.39Å; M54-R85 PolarHBondContact O-NH2 3.28Å; M54-R85 HydrophobicContact SD-CG 3.94Å; L56-R85 PolarHBondContact O-NH1 2.93Å; L56-R85 PolarHBondContact O-NH2 3.05Å; I81-R85 WeakPolarHBondContact O-CG 3.5Å; I81-R85 PolarHBondContact O-N 3.22Å; R82-R85 PolarHBondContact O-N 3.38Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 2.92Å; R85-Q88 PolarHBondContact O-N 3.39Å; R85-L89 VanDerWaalsContact O-CG 3.27Å; R85-L89 WeakPolarHBondContact O-CG 3.27Å; R85-L89 PolarHBondContact O-N 2.85Å; R85-L89 VanDerWaalsContact O-N 3.13Å
86	I	87.2	Confident	84.8	Confident	113 Å²	113	49.2 Å²	49.2	58%	0.579	26%	0.264	S	S	*	.	H	α-helix	trans	-64.9	-42.7	178.1	-65.4	166.4	0	0	0	110.6	R82 S83 L84 Q88 L89 S90	R82-I86 WeakPolarHBondContact O-CG1 3.41Å; R82-I86 PolarHBondContact O-N 3.49Å; R82-I86 VanDerWaalsContact O-N 3.11Å; S83-I86 PolarHBondContact O-N 2.63Å; L84-I86 PolarHBondContact O-N 2.85Å; I86-Q88 PolarHBondContact O-N 2.95Å; I86-L89 PolarHBondContact O-N 3.23Å; I86-S90 WeakPolarHBondContact O-CB 3.43Å; I86-S90 PolarHBondContact O-N 2.84Å; I86-S90 PolarHBondContact O-OG 3.26Å
87	E	85.7	Confident	83.5	Confident	24 Å²	24	51.1 Å²	51.1	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-43.7	177.4	-169.3	172.9	132.6	0	0	110.9	S83 L84 L89 S90 N91 Q94 L95 R98	S83-E87 WeakPolarHBondContact O-CB 3.46Å; S83-E87 PolarHBondContact O-N 2.91Å; L84-E87 PolarHBondContact O-N 3.36Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.37Å; E87-S90 PolarHBondContact O-N 3.45Å; E87-S90 PolarHBondContact O-OG 3.44Å; E87-N91 CarbonylContact O-C 3.13Å; E87-N91 WeakPolarHBondContact O-CA 3.4Å; E87-N91 PolarHBondContact O-N 3.35Å; E87-Q94 HydrophobicContact CG-CB 4.13Å; E87-L95 WeakPolarHBondContact OE1-CB 3.27Å; E87-L95 PolarHBondContact OE1-N 2.87Å; E87-R98 IonicContact OE1-NH1 2.81Å; E87-R98 IonicContact OE2-CZ 3.09Å; E87-R98 IonicContact OE2-NH1 2.63Å; E87-R98 PolarHBondContact OE2-NH1 3.25Å
88	Q	82.7	Confident	82.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-32.6	178.5	-71.9	-64.6	-59	0	0	113.7	C16 A18 M54 L84 R85 I86 P92	C16-Q88 HydrophobicContact CB-CB 3.88Å; C16-Q88 HydrophobicContact CB-CG 4.48Å; A18-Q88 HydrophobicContact CB-CG 3.71Å; M54-Q88 HydrophobicContact CE-CB 4.13Å; M54-Q88 HydrophobicContact CE-CG 4.12Å; L84-Q88 HydrophobicContact CD1-CG 3.92Å; L84-Q88 HydrophobicContact CG-CG 4.42Å; L84-Q88 WeakPolarHBondContact O-CB 3.34Å; L84-Q88 VanDerWaalsContact O-CG 3.27Å; L84-Q88 WeakPolarHBondContact O-CG 3.45Å; L84-Q88 PolarHBondContact O-N 3.46Å; R85-Q88 PolarHBondContact O-N 3.39Å; I86-Q88 PolarHBondContact O-N 2.95Å; Q88-P92 PolarHBondContact NE2-O 3.29Å
89	L	82.2	Confident	80.7	Confident	55 Å²	55	60.3 Å²	60.3	29%	0.288	30%	0.301	S	S	.	.	H	α-helix	trans	-74.3	-36.6	175.4	-67.2	169.4	0	0	0	112.3	C9 C10 L13 R85 I86 E87	C9-L89 WeakPolarHBondContact CA-O 3.5Å; C9-L89 WeakPolarHBondContact CB-O 3.33Å; C10-L89 HydrophobicContact CB-CD2 4.4Å; C10-L89 PolarHBondContact N-O 3.05Å; C10-L89 WeakPolarHBondContact O-CD2 3.45Å; L13-L89 HydrophobicContact CD2-CD1 3.88Å; L13-L89 HydrophobicContact CD2-CD2 3.83Å; L13-L89 HydrophobicContact CD2-CG 3.67Å; L13-L89 HydrophobicContact CG-CD1 4.12Å; L13-L89 HydrophobicContact CG-CD2 3.91Å; L13-L89 HydrophobicContact CG-CG 4.17Å; R85-L89 VanDerWaalsContact O-CG 3.27Å; R85-L89 WeakPolarHBondContact O-CG 3.27Å; R85-L89 PolarHBondContact O-N 2.85Å; R85-L89 VanDerWaalsContact O-N 3.13Å; I86-L89 PolarHBondContact O-N 3.23Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.37Å
90	S	81.5	Confident	79	Confident	76 Å²	76	59.9 Å²	59.9	53%	0.531	30%	0.299	S	S	.	.	H	α-helix	trans	-94.6	-35.6	-172.1	55.3	0	0	0	0	114.2	I86 E87	I86-S90 WeakPolarHBondContact O-CB 3.43Å; I86-S90 PolarHBondContact O-N 2.84Å; I86-S90 PolarHBondContact O-OG 3.26Å; E87-S90 PolarHBondContact O-N 3.45Å; E87-S90 PolarHBondContact O-OG 3.44Å
91	N	76.9	Confident	77.7	Confident	43 Å²	43	64.7 Å²	64.7	23%	0.23	31%	0.314	C	S	.	.			trans	-155.8	77.2	-178.4	-167	-3.7	0	0	0	111.1	E87 D93 Q94	E87-N91 CarbonylContact O-C 3.13Å; E87-N91 WeakPolarHBondContact O-CA 3.4Å; E87-N91 PolarHBondContact O-N 3.35Å; N91-D93 PolarHBondContact O-N 2.81Å; N91-D93 VanDerWaalsContact O-N 3.12Å; N91-Q94 HydrophobicContact CB-CB 4.04Å; N91-Q94 PolarHBondContact ND2-OE1 3.33Å; N91-Q94 VanDerWaalsContact O-CB 3.25Å; N91-Q94 WeakPolarHBondContact O-CB 2.95Å; N91-Q94 PolarHBondContact O-N 3.13Å
92	P	71.6	Confident	76.2	Confident	24 Å²	24	66.8 Å²	66.8	16%	0.156	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	-173.5	20.3	-31.3	0	0	0	114.1	P17 Q88 Q94	P17-P92 HydrophobicContact CG-CB 3.95Å; Q88-P92 PolarHBondContact NE2-O 3.29Å; P92-Q94 VanDerWaalsContact C-N 3.33Å; P92-Q94 PolarHBondContact O-N 3.5Å
93	D	71.9	Confident	74.5	Confident	111 Å²	111	65.1 Å²	65.1	59%	0.594	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.1	-179.6	-63.3	-37.2	0	0	0	113.6	N91 L95 L96 F97	N91-D93 PolarHBondContact O-N 2.81Å; N91-D93 VanDerWaalsContact O-N 3.12Å; D93-L95 PolarHBondContact O-N 3.38Å; D93-L96 WeakPolarHBondContact O-CB 3.43Å; D93-L96 PolarHBondContact O-N 3.26Å; D93-F97 PolarHBondContact O-N 3.32Å
94	Q	71.8	Confident	72.8	Confident	79 Å²	79	63.5 Å²	63.5	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-29.4	-176	-167	157.6	-1.1	0	0	112.7	E87 N91 P92 F97 R98	E87-Q94 HydrophobicContact CG-CB 4.13Å; N91-Q94 HydrophobicContact CB-CB 4.04Å; N91-Q94 PolarHBondContact ND2-OE1 3.33Å; N91-Q94 VanDerWaalsContact O-CB 3.25Å; N91-Q94 WeakPolarHBondContact O-CB 2.95Å; N91-Q94 PolarHBondContact O-N 3.13Å; P92-Q94 VanDerWaalsContact C-N 3.33Å; P92-Q94 PolarHBondContact O-N 3.5Å; Q94-F97 WeakPolarHBondContact O-CB 3.27Å; Q94-F97 PolarHBondContact O-N 2.88Å; Q94-R98 PolarHBondContact O-N 3.44Å
95	L	66.2	Low	71.1	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-78.7	-36.2	179.8	-151.3	142.7	0	0	0	112.1	W21 L84 E87 D93 F97 R98 Y99	W21-L95 HydrophobicContact CH2-CD1 3.73Å; W21-L95 HydrophobicContact CH2-CD2 3.31Å; W21-L95 HydrophobicContact CH2-CG 4.08Å; W21-L95 HydrophobicContact CZ2-CD1 4.28Å; W21-L95 HydrophobicContact CZ2-CD2 3.52Å; W21-L95 HydrophobicContact CZ2-CG 4.33Å; W21-L95 HydrophobicContact CZ3-CD2 4.41Å; L84-L95 HydrophobicContact CD1-CD1 3.12Å; E87-L95 WeakPolarHBondContact OE1-CB 3.27Å; E87-L95 PolarHBondContact OE1-N 2.87Å; D93-L95 PolarHBondContact O-N 3.38Å; L95-F97 PolarHBondContact O-N 3.49Å; L95-R98 PolarHBondContact O-N 3.4Å; L95-Y99 WeakPolarHBondContact O-CB 3.42Å; L95-Y99 PolarHBondContact O-N 3.3Å
96	L	66.4	Low	69.2	Low	105 Å²	105	72 Å²	72	55%	0.55	37%	0.368	S	S	.	.	H	α-helix	trans	-59.5	-41.7	168.6	-175	69.9	0	0	0	110.1	D93 Y99 L100	D93-L96 WeakPolarHBondContact O-CB 3.43Å; D93-L96 PolarHBondContact O-N 3.26Å; L96-Y99 PolarHBondContact O-N 2.67Å; L96-L100 HydrophobicContact CG-CD1 4.11Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.02Å
97	F	67.5	Low	67	Low	82 Å²	82	68.6 Å²	68.6	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-48.7	174.4	-177.1	-91.9	0	0	0	112.2	D93 Q94 L95 Y99 L100 Y101 F114 I119	D93-F97 PolarHBondContact O-N 3.32Å; Q94-F97 WeakPolarHBondContact O-CB 3.27Å; Q94-F97 PolarHBondContact O-N 2.88Å; L95-F97 PolarHBondContact O-N 3.49Å; F97-Y99 VanDerWaalsContact C-N 3.34Å; F97-Y99 PolarHBondContact O-N 2.98Å; F97-L100 PolarHBondContact O-N 2.95Å; F97-Y101 VanDerWaalsContact O-CB 3.28Å; F97-Y101 WeakPolarHBondContact O-CB 3.43Å; F97-Y101 PolarHBondContact O-N 3.39Å; F97-F114 AromaticContact CD2-CE1 3.66Å; F97-F114 HydrophobicContact CD2-CE1 3.66Å; F97-F114 HydrophobicContact CD2-CZ 4.28Å; F97-F114 HydrophobicContact CE2-CD1 4.13Å; F97-F114 AromaticContact CE2-CE1 3.36Å; F97-F114 HydrophobicContact CE2-CE1 3.36Å; F97-F114 HydrophobicContact CE2-CZ 4.12Å; F97-F114 HydrophobicContact CZ-CE1 4.1Å; F97-I119 HydrophobicContact CD2-CD1 3.31Å; F97-I119 HydrophobicContact CE2-CD1 3.41Å; F97-I119 VanDerWaalsContact CE2-CD1 3.41Å
98	R	68.4	Low	64.6	Low	117 Å²	117	75.6 Å²	75.6	44%	0.442	40%	0.398	S	S	.	.	H	α-helix	trans	-59.2	-44.1	175.7	-92.9	179.8	171.3	156.3	-3.3	112.2	E87 Q94 L95 Y101 C102	E87-R98 IonicContact OE1-NH1 2.81Å; E87-R98 IonicContact OE2-CZ 3.09Å; E87-R98 IonicContact OE2-NH1 2.63Å; E87-R98 PolarHBondContact OE2-NH1 3.25Å; Q94-R98 PolarHBondContact O-N 3.44Å; L95-R98 PolarHBondContact O-N 3.4Å; R98-Y101 PolarHBondContact O-N 3.03Å; R98-C102 WeakPolarHBondContact O-CB 3.48Å; R98-C102 PolarHBondContact O-N 3.18Å; R98-C102 PolarHBondContact O-SG 2.75Å; R98-C102 VanDerWaalsContact O-SG 3.35Å
99	Y	65.4	Low	62.3	Low	84 Å²	84	79.9 Å²	79.9	33%	0.329	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-51.4	177.6	176.9	-89.4	0	0	0	111.5	V28 I32 L95 L96 F97 Y101 C102 L103	V28-Y99 HydrophobicContact CB-CD2 4.21Å; V28-Y99 HydrophobicContact CB-CE2 3.72Å; V28-Y99 HydrophobicContact CG1-CD2 3.55Å; V28-Y99 HydrophobicContact CG1-CE2 3.26Å; V28-Y99 HydrophobicContact CG2-CE2 4.09Å; I32-Y99 HydrophobicContact CD1-CD2 3.8Å; I32-Y99 HydrophobicContact CD1-CG 4.32Å; L95-Y99 WeakPolarHBondContact O-CB 3.42Å; L95-Y99 PolarHBondContact O-N 3.3Å; L96-Y99 PolarHBondContact O-N 2.67Å; F97-Y99 VanDerWaalsContact C-N 3.34Å; F97-Y99 PolarHBondContact O-N 2.98Å; Y99-Y101 VanDerWaalsContact C-N 3.28Å; Y99-Y101 PolarHBondContact O-N 3.3Å; Y99-C102 PolarHBondContact O-N 2.86Å; Y99-L103 HydrophobicContact CD1-CD1 3.85Å; Y99-L103 HydrophobicContact CD1-CG 4.37Å; Y99-L103 HydrophobicContact CE1-CD1 3.19Å; Y99-L103 HydrophobicContact CE1-CG 3.99Å; Y99-L103 WeakPolarHBondContact O-CG 3.38Å; Y99-L103 PolarHBondContact O-N 3.22Å
100	L	61	Low	60	Low	65 Å²	65	86 Å²	86	34%	0.34	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-37.8	177.5	-69.9	172.2	0	0	0	111.7	L96 F97 L103 S104 F114	L96-L100 HydrophobicContact CG-CD1 4.11Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.02Å; F97-L100 PolarHBondContact O-N 2.95Å; L100-L103 PolarHBondContact O-N 3.44Å; L100-S104 WeakPolarHBondContact O-CB 3.19Å; L100-S104 PolarHBondContact O-N 2.9Å; L100-F114 HydrophobicContact CB-CE2 4.1Å; L100-F114 HydrophobicContact CB-CZ 3.71Å
101	Y	66.5	Low	57.6	Low	130 Å²	130	88.1 Å²	88.1	51%	0.51	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-50.2	175.1	-176.3	-96.4	0	0	0	111.3	F97 R98 Y99 L103 S104 V105	F97-Y101 VanDerWaalsContact O-CB 3.28Å; F97-Y101 WeakPolarHBondContact O-CB 3.43Å; F97-Y101 PolarHBondContact O-N 3.39Å; R98-Y101 PolarHBondContact O-N 3.03Å; Y99-Y101 VanDerWaalsContact C-N 3.28Å; Y99-Y101 PolarHBondContact O-N 3.3Å; Y101-L103 VanDerWaalsContact C-N 3.31Å; Y101-L103 PolarHBondContact O-N 2.72Å; Y101-S104 PolarHBondContact O-N 2.8Å; Y101-S104 PolarHBondContact O-OG 2.9Å; Y101-V105 HydrophobicContact CD1-CG2 4.17Å; Y101-V105 HydrophobicContact CE1-CG2 3.77Å; Y101-V105 HydrophobicContact CE2-CG2 4.3Å; Y101-V105 WeakPolarHBondContact O-CG2 3.25Å; Y101-V105 PolarHBondContact O-N 3.12Å
102	C	62	Low	55.6	Low	43 Å²	43	90 Å²	90	29%	0.291	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-39.8	177	-72.4	0	0	0	0	112.3	I32 R98 Y99 V105 N106	I32-C102 HydrophobicContact CG1-CB 4.24Å; R98-C102 WeakPolarHBondContact O-CB 3.48Å; R98-C102 PolarHBondContact O-N 3.18Å; R98-C102 PolarHBondContact O-SG 2.75Å; R98-C102 VanDerWaalsContact O-SG 3.35Å; Y99-C102 PolarHBondContact O-N 2.86Å; C102-V105 PolarHBondContact O-N 3.44Å; C102-N106 WeakPolarHBondContact O-CB 3.5Å; C102-N106 PolarHBondContact O-N 2.97Å
103	L	58.3	Low	53.9	Low	82 Å²	82	94.2 Å²	94.2	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-40.5	172.4	-75.3	-176.7	0	0	0	112.4	Y99 L100 Y101 V105 G107	Y99-L103 HydrophobicContact CD1-CD1 3.85Å; Y99-L103 HydrophobicContact CD1-CG 4.37Å; Y99-L103 HydrophobicContact CE1-CD1 3.19Å; Y99-L103 HydrophobicContact CE1-CG 3.99Å; Y99-L103 WeakPolarHBondContact O-CG 3.38Å; Y99-L103 PolarHBondContact O-N 3.22Å; L100-L103 PolarHBondContact O-N 3.44Å; Y101-L103 VanDerWaalsContact C-N 3.31Å; Y101-L103 PolarHBondContact O-N 2.72Å; L103-V105 VanDerWaalsContact C-N 3.31Å; L103-V105 PolarHBondContact O-N 3.26Å; L103-G107 WeakPolarHBondContact O-CA 3.43Å; L103-G107 PolarHBondContact O-N 3.01Å
104	S	54.7	Low	52.2	Low	37 Å²	37	91.9 Å²	91.9	26%	0.259	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-31.5	178.6	74.5	0	0	0	0	113	L100 Y101	L100-S104 WeakPolarHBondContact O-CB 3.19Å; L100-S104 PolarHBondContact O-N 2.9Å; Y101-S104 PolarHBondContact O-N 2.8Å; Y101-S104 PolarHBondContact O-OG 2.9Å
105	V	54.7	Low	50.4	Low	81 Å²	81	91.3 Å²	91.3	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-81.9	-40.2	179.5	176.6	0	0	0	0	111.7	Y101 C102 L103	Y101-V105 HydrophobicContact CD1-CG2 4.17Å; Y101-V105 HydrophobicContact CE1-CG2 3.77Å; Y101-V105 HydrophobicContact CE2-CG2 4.3Å; Y101-V105 WeakPolarHBondContact O-CG2 3.25Å; Y101-V105 PolarHBondContact O-N 3.12Å; C102-V105 PolarHBondContact O-N 3.44Å; L103-V105 VanDerWaalsContact C-N 3.31Å; L103-V105 PolarHBondContact O-N 3.26Å
106	N	51.2	Low	49	Very low	147 Å²	147	94.4 Å²	94.4	79%	0.786	51%	0.512	S	S	*	.	H	α-helix	trans	-76.8	-24.4	175.8	-78.1	-10.1	0	0	0	112.6	C102 N108	C102-N106 WeakPolarHBondContact O-CB 3.5Å; C102-N106 PolarHBondContact O-N 2.97Å; N106-N108 PolarHBondContact O-N 3.18Å
107	G	40.7	Very low	47.5	Very low	42 Å²	42	93.8 Å²	93.8	43%	0.433	51%	0.513	S	S	.	.			trans	-86.9	72	176.9	0	0	0	0	0	112.3	L103 S109	L103-G107 WeakPolarHBondContact O-CA 3.43Å; L103-G107 PolarHBondContact O-N 3.01Å; G107-S109 PolarHBondContact O-N 3.04Å
108	N	36	Very low	45.8	Very low	170 Å²	170	94.2 Å²	94.2	91%	0.909	52%	0.524	S	S	*	.			trans	-69.7	32.5	171.6	-130.8	2.8	0	0	0	113.2	N106	N106-N108 PolarHBondContact O-N 3.18Å
109	S	34.3	Very low	44.3	Very low	92 Å²	92	92.2 Å²	92.2	64%	0.643	52%	0.522	S	S	*	.	S	Bend	trans	-153.2	100.6	-179.7	-168.6	0	0	0	0	111	G107	G107-S109 PolarHBondContact O-N 3.04Å
110	K	32.2	Very low	42.9	Very low	184 Å²	184	92.7 Å²	92.7	80%	0.8	53%	0.533	S	S	*	.	S	Bend	trans	68.7	96.5	157.8	-56.2	-177.4	-176.9	-179.3	0	116.8
111	T	33	Very low	41.6	Very low	120 Å²	120	95.9 Å²	95.9	74%	0.736	55%	0.551	S	S	*	*			trans	73.3	57.7	139.7	-24	0	0	0	0	116.2	V113	T111-V113 HydrophobicContact CG2-CG2 3.89Å
112	V	34.8	Very low	40.2	Very low	84 Å²	84	94.9 Å²	94.9	51%	0.509	55%	0.554	S	S	.	*			trans	-91.4	87.5	145.1	-173.8	0	0	0	0	106.2	F114	V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 PolarHBondContact O-N 3.02Å
113	V	34.4	Very low	39.3	Very low	112 Å²	112	101.5 Å²	101.5	68%	0.679	58%	0.575	S	S	*	*			trans	-64.4	96.6	163.7	174.2	0	0	0	0	105.4	T111 C115	T111-V113 HydrophobicContact CG2-CG2 3.89Å; V113-C115 VanDerWaalsContact C-N 3.25Å; V113-C115 PolarHBondContact O-N 3.37Å
114	F	37.6	Very low	37.9	Very low	62 Å²	62	100.1 Å²	100.1	27%	0.272	58%	0.58	S	S	.	*			trans	-55.9	102.5	155.3	-107.2	-86.3	0	0	0	105.7	F97 L100 V112 S116	F97-F114 AromaticContact CD2-CE1 3.66Å; F97-F114 HydrophobicContact CD2-CE1 3.66Å; F97-F114 HydrophobicContact CD2-CZ 4.28Å; F97-F114 HydrophobicContact CE2-CD1 4.13Å; F97-F114 AromaticContact CE2-CE1 3.36Å; F97-F114 HydrophobicContact CE2-CE1 3.36Å; F97-F114 HydrophobicContact CE2-CZ 4.12Å; F97-F114 HydrophobicContact CZ-CE1 4.1Å; L100-F114 HydrophobicContact CB-CE2 4.1Å; L100-F114 HydrophobicContact CB-CZ 3.71Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 PolarHBondContact O-N 3.02Å; F114-S116 PolarHBondContact O-N 3.08Å
115	C	33.5	Very low	36.7	Very low	67 Å²	67	108 Å²	108	45%	0.453	61%	0.609	S	S	.	*			trans	-69.4	81.9	165.2	-162	0	0	0	0	106.3	V113 V117 C118	V113-C115 VanDerWaalsContact C-N 3.25Å; V113-C115 PolarHBondContact O-N 3.37Å; C115-V117 PolarHBondContact O-N 3.3Å; C115-C118 PolarHBondContact O-N 3.48Å
116	S	35.7	Very low	35.5	Very low	76 Å²	76	112.3 Å²	112.3	53%	0.531	63%	0.629	S	S	.	*	H	α-helix	trans	-57.1	-10.4	167.1	46.5	0	0	0	0	111.9	F114 V120	F114-S116 PolarHBondContact O-N 3.08Å; S116-V120 VanDerWaalsContact O-CB 3.28Å; S116-V120 WeakPolarHBondContact O-CB 3.28Å; S116-V120 WeakPolarHBondContact O-CG2 3.15Å; S116-V120 PolarHBondContact O-N 2.85Å; S116-V120 VanDerWaalsContact O-N 3.08Å
117	V	35.4	Very low	34.9	Very low	93 Å²	93	114.1 Å²	114.1	56%	0.564	65%	0.653	S	S	*	*	H	α-helix	trans	-68.2	-33	174.2	-171.4	0	0	0	0	112.1	C115	C115-V117 PolarHBondContact O-N 3.3Å
118	C	32.5	Very low	34.6	Very low	90 Å²	90	117.7 Å²	117.7	61%	0.608	66%	0.664	S	S	*	*	H	α-helix	trans	-85.4	-17.1	-179.6	-62.8	0	0	0	0	114.4	C115	C115-C118 PolarHBondContact O-N 3.48Å
119	I	36.5	Very low	34.5	Very low	75 Å²	75	114.9 Å²	114.9	39%	0.385	65%	0.651	S	S	.	*	H	α-helix	trans	-96.4	-31.1	178.2	-64.8	176.1	0	0	0	111.1	F97 D121 N122	F97-I119 HydrophobicContact CD2-CD1 3.31Å; F97-I119 HydrophobicContact CE2-CD1 3.41Å; F97-I119 VanDerWaalsContact CE2-CD1 3.41Å; I119-D121 VanDerWaalsContact C-N 3.3Å; I119-D121 PolarHBondContact O-N 3.42Å; I119-N122 PolarHBondContact O-N 3.02Å
120	V	35.5	Very low	34.5	Very low	94 Å²	94	116.2 Å²	116.2	57%	0.57	65%	0.651	S	S	*	*	H	α-helix	trans	-72	-25	175.3	175.2	0	0	0	0	112.1	S116 N122 Y123 G124	S116-V120 VanDerWaalsContact O-CB 3.28Å; S116-V120 WeakPolarHBondContact O-CB 3.28Å; S116-V120 WeakPolarHBondContact O-CG2 3.15Å; S116-V120 PolarHBondContact O-N 2.85Å; S116-V120 VanDerWaalsContact O-N 3.08Å; V120-N122 PolarHBondContact O-N 3.25Å; V120-Y123 PolarHBondContact O-N 3.18Å; V120-G124 PolarHBondContact O-N 3.06Å
121	D	35.3	Very low	34.7	Very low	132 Å²	132	112.2 Å²	112.2	71%	0.706	64%	0.642	S	S	*	*	H	α-helix	trans	-68.3	-20.7	175.1	-90.8	-31	0	0	0	113.9	I119	I119-D121 VanDerWaalsContact C-N 3.3Å; I119-D121 PolarHBondContact O-N 3.42Å
122	N	36.1	Very low	34.8	Very low	110 Å²	110	111.8 Å²	111.8	59%	0.588	64%	0.636	S	S	*	*	H	α-helix	trans	-96	-17.3	177	-94.5	-44.1	0	0	0	114.7	I119 V120	I119-N122 PolarHBondContact O-N 3.02Å; V120-N122 PolarHBondContact O-N 3.25Å
123	Y	42.2	Very low	34.8	Very low	182 Å²	182	113.6 Å²	113.6	71%	0.714	65%	0.645	S	S	*	*	H	α-helix	trans	-111	0.2	179.3	-76.7	-85.9	0	0	0	114	V120	V120-Y123 PolarHBondContact O-N 3.18Å
124	G	28.8	Very low	34.8	Very low	52 Å²	52	113.7 Å²	113.7	54%	0.536	64%	0.643	S	S	.	*			trans	-102.6	45.9	-178.5	0	0	0	0	0	115.4	V120	V120-G124 PolarHBondContact O-N 3.06Å
125	K	30.5	Very low	34.6	Very low	203 Å²	203	117.7 Å²	117.7	88%	0.883	67%	0.671	S	S	*	*			trans	-140.9	64.5	161.2	-75.9	-170.4	-177.6	166.5	0	111.1
126	L	29.2	Very low	34.7	Very low	172 Å²	172	121.9 Å²	121.9	90%	0.901	69%	0.689	S	S	*	*			trans	-88.6	101.1	145.8	-79.6	162.4	0	0	0	105.9
127	S	38.3	Very low	34.6	Very low	184 Å²	184	126.1 Å²	126.1	100%	1.287	70%	0.704	S	S	*	*			trans	-56.1	0	162	52.9	0	0	0	0	111.4

Retrieved 127 of 127 residues in 61.1 ms (Link to these results)

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