A0A077Z1H8_TRITR Loading...

histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A077Z1H8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 aa.

						>A0A077Z1H8_TRITR|A0A077Z1H8
MSTSSSRNPESVKMIQQQLLLLLHAQKCQYRRLNGSQTERCTVPYCELMISVLKHMETCQIGHQCTVPHCYSWRLILHHWYTCVRSDCIVCSPLNPAVNKMLFRNMIQSPPQTMSMNPVAMVPNEENPQW
					

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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	36.3	Very low	59.1	Low	241 Å²	241	122.6 Å²	122.6	100%	1.187	70%	0.695	S	S	*	*				0	90.9	0	-70.5	169.1	158.4	0	0	107.4
2	S	36.3	Very low	61.6	Low	128 Å²	128	114 Å²	114	90%	0.895	65%	0.647	S	S	*	*			trans	-115.5	111.5	-178.1	-56.4	0	0	0	0	107.8
3	T	37.1	Very low	63.6	Low	131 Å²	131	115.6 Å²	115.6	80%	0.804	64%	0.642	S	S	*	*			trans	-58.3	123.7	-161.4	46	0	0	0	0	114.1	S5	T3-S5 PolarHBondContact O-N 3.1Å
4	S	39.7	Very low	65.5	Low	110 Å²	110	114.4 Å²	114.4	77%	0.769	63%	0.631	S	S	*	*			trans	-32.8	114.8	146	48.7	0	0	0	0	111.1
5	S	47.7	Very low	67.1	Low	72 Å²	72	110.5 Å²	110.5	50%	0.503	61%	0.608	S	S	.	*				84.8	91.4	91.5	-171.4	0	0	0	0	112.7	T3 R7	T3-S5 PolarHBondContact O-N 3.1Å; S5-R7 PolarHBondContact O-N 2.94Å
6	S	52.9	Low	68.5	Low	101 Å²	101	106.4 Å²	106.4	71%	0.706	58%	0.583	S	S	*	*	S	Bend	trans	49.7	36.6	134.8	53.3	0	0	0	0	119.1
7	R	62.9	Low	69.8	Low	216 Å²	216	108.2 Å²	108.2	82%	0.815	59%	0.587	S	S	*	*			trans	-140.1	-3.6	178.2	-80.2	-173.6	-92.8	-173.5	-6.9	117.8	S5 P9	S5-R7 PolarHBondContact O-N 2.94Å; R7-P9 WeakPolarHBondContact O-CD 3.41Å
8	N	80.3	Confident	71	Confident	70 Å²	70	104.8 Å²	104.8	37%	0.374	57%	0.566	S	S	.	*			trans	-81.6	119	174.4	-175.1	-7.3	0	0	0	110.4	E10 S11 V12	N8-E10 PolarHBondContact ND2-OE2 3.17Å; N8-E10 VanDerWaalsContact ND2-OE2 3.1Å; N8-E10 PolarHBondContact O-N 3.17Å; N8-E10 WeakPolarHBondContact OD1-CB 3.48Å; N8-E10 PolarHBondContact OD1-N 2.93Å; N8-S11 PolarHBondContact O-N 3.16Å; N8-S11 VanDerWaalsContact O-N 3.16Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 2.93Å; N8-V12 VanDerWaalsContact O-N 3.17Å
9	P	83.6	Confident	72.1	Confident	87 Å²	87	99.3 Å²	99.3	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-55.5	-29.6	176	23.2	-35.4	0	0	0	113.8	R7 V12 K13	R7-P9 WeakPolarHBondContact O-CD 3.41Å; P9-V12 PolarHBondContact O-N 3.26Å; P9-K13 WeakPolarHBondContact O-CG 3.47Å; P9-K13 PolarHBondContact O-N 3.21Å
10	E	87	Confident	73	Confident	138 Å²	138	99.3 Å²	99.3	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-68.7	-44.6	177.7	-60.9	176.7	126	0	0	111.8	N8 V12 K13 M14	N8-E10 PolarHBondContact ND2-OE2 3.17Å; N8-E10 VanDerWaalsContact ND2-OE2 3.1Å; N8-E10 PolarHBondContact O-N 3.17Å; N8-E10 WeakPolarHBondContact OD1-CB 3.48Å; N8-E10 PolarHBondContact OD1-N 2.93Å; E10-V12 VanDerWaalsContact C-N 3.27Å; E10-V12 PolarHBondContact O-N 2.98Å; E10-K13 PolarHBondContact O-N 3.39Å; E10-M14 PolarHBondContact O-N 3.46Å
11	S	86.6	Confident	73.9	Confident	55 Å²	55	96.1 Å²	96.1	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-62.3	-38.6	176.1	-52.3	0	0	0	0	111	N8 M14 I15	N8-S11 PolarHBondContact O-N 3.16Å; N8-S11 VanDerWaalsContact O-N 3.16Å; S11-M14 PolarHBondContact O-N 3.27Å; S11-I15 VanDerWaalsContact O-CG1 3.25Å; S11-I15 WeakPolarHBondContact O-CG1 3.46Å; S11-I15 PolarHBondContact O-N 3.33Å
12	V	88.1	Confident	76.5	Confident	19 Å²	19	84.6 Å²	84.6	12%	0.115	46%	0.462	C	S	.	.	H	α-helix	trans	-64	-47.2	176.4	176.3	0	0	0	0	110.7	N8 P9 E10 M14 I15 Q16 I89 V90	N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 2.93Å; N8-V12 VanDerWaalsContact O-N 3.17Å; P9-V12 PolarHBondContact O-N 3.26Å; E10-V12 VanDerWaalsContact C-N 3.27Å; E10-V12 PolarHBondContact O-N 2.98Å; V12-M14 VanDerWaalsContact C-N 3.32Å; V12-M14 PolarHBondContact O-N 2.91Å; V12-I15 PolarHBondContact O-N 3.48Å; V12-Q16 HydrophobicContact CG1-CG 4.41Å; V12-Q16 VanDerWaalsContact O-CG 3.29Å; V12-Q16 WeakPolarHBondContact O-CG 3.47Å; V12-Q16 PolarHBondContact O-N 3.4Å; V12-I89 HydrophobicContact CG1-CB 4.25Å; V12-I89 HydrophobicContact CG1-CD1 4.09Å; V12-I89 HydrophobicContact CG1-CG1 3.95Å; V12-I89 HydrophobicContact CG2-CD1 3.57Å; V12-I89 HydrophobicContact CG2-CG1 4.27Å; V12-V90 HydrophobicContact CG1-CG2 4.41Å
13	K	88.1	Confident	79	Confident	135 Å²	135	79.8 Å²	79.8	59%	0.587	43%	0.426	S	S	*	.	H	α-helix	trans	-59	-42.3	176.1	-76.2	178.4	-179.7	-178.7	0	112.1	P9 E10 Q16 Q17	P9-K13 WeakPolarHBondContact O-CG 3.47Å; P9-K13 PolarHBondContact O-N 3.21Å; E10-K13 PolarHBondContact O-N 3.39Å; K13-Q16 WeakPolarHBondContact O-CB 3.35Å; K13-Q16 PolarHBondContact O-N 2.75Å; K13-Q17 WeakPolarHBondContact O-CG 3.43Å; K13-Q17 PolarHBondContact O-N 3.1Å
14	M	90.2	Very high	81.5	Confident	98 Å²	98	75.7 Å²	75.7	48%	0.483	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-44.9	176.2	-174.9	178.5	70.5	0	0	111.5	E10 S11 V12 Q16 Q17 Q18	E10-M14 PolarHBondContact O-N 3.46Å; S11-M14 PolarHBondContact O-N 3.27Å; V12-M14 VanDerWaalsContact C-N 3.32Å; V12-M14 PolarHBondContact O-N 2.91Å; M14-Q16 VanDerWaalsContact C-N 3.34Å; M14-Q16 PolarHBondContact O-N 2.99Å; M14-Q17 PolarHBondContact O-N 3.21Å; M14-Q18 WeakPolarHBondContact O-CB 3.35Å; M14-Q18 WeakPolarHBondContact O-CG 3.49Å; M14-Q18 PolarHBondContact O-N 2.91Å
15	I	89.5	Confident	84	Confident	56 Å²	56	70.5 Å²	70.5	29%	0.287	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.9	-66.5	165.2	0	0	0	110.8	S11 V12 Q18 L19 I76 V90	S11-I15 VanDerWaalsContact O-CG1 3.25Å; S11-I15 WeakPolarHBondContact O-CG1 3.46Å; S11-I15 PolarHBondContact O-N 3.33Å; V12-I15 PolarHBondContact O-N 3.48Å; I15-Q18 PolarHBondContact O-N 3.42Å; I15-L19 VanDerWaalsContact O-CB 3.24Å; I15-L19 WeakPolarHBondContact O-CB 3.25Å; I15-L19 PolarHBondContact O-N 3.08Å; I15-I76 HydrophobicContact CG2-CG1 4.3Å; I15-V90 HydrophobicContact CG2-CB 4.49Å; I15-V90 HydrophobicContact CG2-CG1 3.56Å; I15-V90 HydrophobicContact CG2-CG2 4.06Å
16	Q	89.6	Confident	86	Confident	46 Å²	46	68.1 Å²	68.1	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-45	176	-71.7	166.8	-11.4	0	0	111.7	V12 K13 M14 L19 L20 I89 P93	V12-Q16 HydrophobicContact CG1-CG 4.41Å; V12-Q16 VanDerWaalsContact O-CG 3.29Å; V12-Q16 WeakPolarHBondContact O-CG 3.47Å; V12-Q16 PolarHBondContact O-N 3.4Å; K13-Q16 WeakPolarHBondContact O-CB 3.35Å; K13-Q16 PolarHBondContact O-N 2.75Å; M14-Q16 VanDerWaalsContact C-N 3.34Å; M14-Q16 PolarHBondContact O-N 2.99Å; Q16-L19 PolarHBondContact O-N 3.41Å; Q16-L20 WeakPolarHBondContact O-CB 3.29Å; Q16-L20 PolarHBondContact O-N 2.93Å; Q16-I89 PolarHBondContact NE2-O 3.34Å; Q16-P93 HydrophobicContact CG-CG 3.96Å
17	Q	91.2	Very high	87.6	Confident	136 Å²	136	68.5 Å²	68.5	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-63.5	-45.2	177	-74.4	176.6	-28.5	0	0	111.7	K13 M14 L19 L20 L21	K13-Q17 WeakPolarHBondContact O-CG 3.43Å; K13-Q17 PolarHBondContact O-N 3.1Å; M14-Q17 PolarHBondContact O-N 3.21Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.3Å; Q17-L20 PolarHBondContact O-N 2.89Å; Q17-L21 WeakPolarHBondContact O-CB 3.07Å; Q17-L21 PolarHBondContact O-N 2.72Å
18	Q	91.4	Very high	89	Confident	47 Å²	47	58.2 Å²	58.2	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-43.5	175.7	-75	-177.9	-15.7	0	0	111.4	M14 I15 L21 L22 I76	M14-Q18 WeakPolarHBondContact O-CB 3.35Å; M14-Q18 WeakPolarHBondContact O-CG 3.49Å; M14-Q18 PolarHBondContact O-N 2.91Å; I15-Q18 PolarHBondContact O-N 3.42Å; Q18-L21 PolarHBondContact O-N 2.74Å; Q18-L22 WeakPolarHBondContact O-CB 2.92Å; Q18-L22 WeakPolarHBondContact O-CD1 3.37Å; Q18-L22 VanDerWaalsContact O-CG 3.24Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 2.9Å; Q18-I76 HydrophobicContact CB-CD1 4.08Å
19	L	91	Very high	89.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-44.9	177.5	179.8	56.8	0	0	0	111.8	I15 Q16 Q17 L21 L22 L23 I76 W80 V90 L94	I15-L19 VanDerWaalsContact O-CB 3.24Å; I15-L19 WeakPolarHBondContact O-CB 3.25Å; I15-L19 PolarHBondContact O-N 3.08Å; Q16-L19 PolarHBondContact O-N 3.41Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.3Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.08Å; L19-L22 WeakPolarHBondContact O-CB 3.24Å; L19-L22 PolarHBondContact O-N 3.35Å; L19-L23 HydrophobicContact CD1-CG 4.31Å; L19-L23 HydrophobicContact CG-CD1 4.48Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.24Å; L19-L23 PolarHBondContact O-N 3.4Å; L19-I76 HydrophobicContact CB-CG2 3.82Å; L19-I76 HydrophobicContact CD1-CG2 3.84Å; L19-I76 HydrophobicContact CG-CG2 4.29Å; L19-W80 HydrophobicContact CD1-CB 3.71Å; L19-W80 HydrophobicContact CD1-CD2 4.1Å; L19-W80 HydrophobicContact CD1-CE3 4.4Å; L19-W80 HydrophobicContact CD1-CG 3.81Å; L19-W80 HydrophobicContact CD2-CB 4.32Å; L19-W80 HydrophobicContact CD2-CD2 4.07Å; L19-W80 HydrophobicContact CD2-CE3 3.51Å; L19-W80 HydrophobicContact CD2-CG 4.43Å; L19-W80 HydrophobicContact CD2-CZ3 4.12Å; L19-W80 HydrophobicContact CG-CE3 4.35Å; L19-V90 HydrophobicContact CD2-CG1 4Å; L19-L94 HydrophobicContact CB-CD1 3.83Å; L19-L94 HydrophobicContact CD2-CD1 3.47Å; L19-L94 VanDerWaalsContact CD2-CD1 3.47Å; L19-L94 HydrophobicContact CG-CD1 3.47Å; L19-L94 VanDerWaalsContact CG-CD1 3.47Å
20	L	91	Very high	89.5	Confident	100 Å²	100	57.3 Å²	57.3	52%	0.524	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-45.5	174.8	178.6	65.3	0	0	0	111.6	Q16 Q17 L22 L23 H24 L94	Q16-L20 WeakPolarHBondContact O-CB 3.29Å; Q16-L20 PolarHBondContact O-N 2.93Å; Q17-L20 PolarHBondContact O-N 2.89Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 3.07Å; L20-H24 WeakPolarHBondContact O-CB 3.35Å; L20-H24 PolarHBondContact O-N 3.3Å; L20-L94 HydrophobicContact CB-CD2 3.98Å; L20-L94 HydrophobicContact CD1-CD2 3.78Å; L20-L94 HydrophobicContact CG-CD2 4.39Å
21	L	91.2	Very high	89.5	Confident	32 Å²	32	54.8 Å²	54.8	17%	0.168	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-37.6	-180	-172.4	67.6	0	0	0	111.8	Q17 Q18 L19 H24 A25 V43 P44 M49	Q17-L21 WeakPolarHBondContact O-CB 3.07Å; Q17-L21 PolarHBondContact O-N 2.72Å; Q18-L21 PolarHBondContact O-N 2.74Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.08Å; L21-H24 WeakPolarHBondContact O-CB 3.36Å; L21-H24 PolarHBondContact O-N 3.34Å; L21-A25 WeakPolarHBondContact O-CB 3.37Å; L21-A25 PolarHBondContact O-N 3.46Å; L21-V43 HydrophobicContact CD1-CG1 3.66Å; L21-P44 WeakPolarHBondContact CD1-O 2.98Å; L21-M49 HydrophobicContact CD1-CG 4.43Å; L21-M49 HydrophobicContact CD2-CE 3.76Å; L21-M49 HydrophobicContact CD2-CG 3.48Å; L21-M49 VanDerWaalsContact CD2-CG 3.48Å; L21-M49 HydrophobicContact CD2-SD 3.55Å; L21-M49 VanDerWaalsContact CD2-SD 3.55Å; L21-M49 HydrophobicContact CG-CG 3.52Å; L21-M49 HydrophobicContact CG-SD 4.08Å
22	L	90.1	Very high	89.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-48.9	172.6	-78.5	164.4	0	0	0	111.8	Q18 L19 L20 H24 A25 Q26 L53 W73 I76 L77	Q18-L22 WeakPolarHBondContact O-CB 2.92Å; Q18-L22 WeakPolarHBondContact O-CD1 3.37Å; Q18-L22 VanDerWaalsContact O-CG 3.24Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 2.9Å; L19-L22 WeakPolarHBondContact O-CB 3.24Å; L19-L22 PolarHBondContact O-N 3.35Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L22-H24 VanDerWaalsContact C-N 3.28Å; L22-H24 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 3.11Å; L22-Q26 WeakPolarHBondContact O-CG 3.45Å; L22-Q26 PolarHBondContact O-N 2.98Å; L22-L53 HydrophobicContact CD2-CD2 4.37Å; L22-W73 HydrophobicContact CD1-CB 4.24Å; L22-W73 HydrophobicContact CD1-CG 4.13Å; L22-W73 HydrophobicContact CD2-CB 4.18Å; L22-W73 HydrophobicContact CD2-CD2 3.7Å; L22-W73 HydrophobicContact CD2-CE3 3.41Å; L22-W73 VanDerWaalsContact CD2-CE3 3.41Å; L22-W73 HydrophobicContact CD2-CG 4Å; L22-W73 HydrophobicContact CD2-CZ3 4.04Å; L22-W73 HydrophobicContact CG-CD2 4.46Å; L22-I76 HydrophobicContact CD1-CB 4.23Å; L22-I76 HydrophobicContact CD1-CG2 3.82Å; L22-L77 HydrophobicContact CB-CD2 4.29Å; L22-L77 HydrophobicContact CD1-CD2 4.49Å; L22-L77 HydrophobicContact CD1-CG 4.23Å; L22-L77 HydrophobicContact CD2-CD1 4.42Å
23	L	89.4	Confident	89.2	Confident	27 Å²	27	62.8 Å²	62.8	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-41.3	177.4	-63.9	176	0	0	0	111.3	L19 L20 K27 W80 L94 F103	L19-L23 HydrophobicContact CD1-CG 4.31Å; L19-L23 HydrophobicContact CG-CD1 4.48Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.24Å; L19-L23 PolarHBondContact O-N 3.4Å; L20-L23 PolarHBondContact O-N 3.07Å; L23-K27 PolarHBondContact O-N 3.48Å; L23-W80 HydrophobicContact CD1-CH2 4.45Å; L23-W80 HydrophobicContact CD1-CZ2 3.99Å; L23-L94 HydrophobicContact CD1-CD1 4.45Å; L23-F103 HydrophobicContact CB-CZ 4.34Å; L23-F103 HydrophobicContact CD2-CD1 3.94Å; L23-F103 HydrophobicContact CD2-CE1 3.19Å; L23-F103 HydrophobicContact CD2-CE2 4.34Å; L23-F103 HydrophobicContact CD2-CZ 3.42Å; L23-F103 VanDerWaalsContact CD2-CZ 3.42Å; L23-F103 HydrophobicContact CG-CZ 4.48Å
24	H	90.8	Very high	88.9	Confident	45 Å²	45	60.8 Å²	60.8	21%	0.208	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-50.3	173.5	172.8	90.8	0	0	0	111.6	L20 L21 L22 Q26 K27 C28 C41 V43 C46	L20-H24 WeakPolarHBondContact O-CB 3.35Å; L20-H24 PolarHBondContact O-N 3.3Å; L21-H24 WeakPolarHBondContact O-CB 3.36Å; L21-H24 PolarHBondContact O-N 3.34Å; L22-H24 VanDerWaalsContact C-N 3.28Å; L22-H24 PolarHBondContact O-N 3.47Å; H24-Q26 VanDerWaalsContact C-N 3.33Å; H24-Q26 PolarHBondContact O-N 3.47Å; H24-K27 CarbonylContact O-C 3.59Å; H24-K27 PolarHBondContact O-N 3.22Å; H24-C28 WeakPolarHBondContact O-CB 3.45Å; H24-C28 PolarHBondContact O-N 3.32Å; H24-C41 PolarHBondContact NE2-SG 3.29Å; H24-V43 WeakPolarHBondContact CE1-CG2 3.43Å; H24-C46 PolarHBondContact CD2-SG 3.07Å; H24-C46 PolarHBondContact NE2-SG 2.83Å
25	A	91.7	Very high	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-40.9	-176.6	0	0	0	0	0	112.1	L21 L22 C28 Q29 M49 I50 L53	L21-A25 WeakPolarHBondContact O-CB 3.37Å; L21-A25 PolarHBondContact O-N 3.46Å; L22-A25 PolarHBondContact O-N 3.11Å; A25-C28 PolarHBondContact O-N 3.39Å; A25-Q29 WeakPolarHBondContact O-CB 3.5Å; A25-Q29 PolarHBondContact O-N 3.4Å; A25-M49 HydrophobicContact CB-CB 3.33Å; A25-M49 HydrophobicContact CB-CG 4.2Å; A25-I50 HydrophobicContact CB-CG1 4.08Å; A25-L53 HydrophobicContact CB-CD1 3.7Å
26	Q	88.5	Confident	87.4	Confident	23 Å²	23	60.2 Å²	60.2	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-47.3	173.9	-68.6	-175.3	-73	0	0	111.7	L22 H24 C28 Q29 Y30 L53 Y81 F103 I107	L22-Q26 WeakPolarHBondContact O-CG 3.45Å; L22-Q26 PolarHBondContact O-N 2.98Å; H24-Q26 VanDerWaalsContact C-N 3.33Å; H24-Q26 PolarHBondContact O-N 3.47Å; Q26-C28 VanDerWaalsContact C-N 3.3Å; Q26-C28 PolarHBondContact O-N 3.36Å; Q26-Q29 PolarHBondContact O-N 3.06Å; Q26-Y30 PolarHBondContact O-N 3.19Å; Q26-L53 HydrophobicContact CB-CD1 4.4Å; Q26-L53 HydrophobicContact CG-CD1 3.53Å; Q26-L53 HydrophobicContact CG-CD2 3.86Å; Q26-L53 HydrophobicContact CG-CG 4.37Å; Q26-Y81 PolarHBondContact NE2-OH 3.45Å; Q26-Y81 VanDerWaalsContact NE2-OH 3.13Å; Q26-Y81 PolarHBondContact OE1-OH 3.4Å; Q26-F103 HydrophobicContact CB-CZ 3.99Å; Q26-I107 HydrophobicContact CB-CD1 4.49Å; Q26-I107 VanDerWaalsContact NE2-CD1 3.33Å
27	K	88.3	Confident	86.3	Confident	108 Å²	108	60.4 Å²	60.4	47%	0.47	30%	0.304	S	S	.	.	H	α-helix	trans	-64.4	-35	176.3	-172.5	178.4	179.6	174.2	0	112.1	L23 H24 R31	L23-K27 PolarHBondContact O-N 3.48Å; H24-K27 CarbonylContact O-C 3.59Å; H24-K27 PolarHBondContact O-N 3.22Å; K27-R31 WeakPolarHBondContact O-CB 3.24Å; K27-R31 WeakPolarHBondContact O-CG 3.21Å; K27-R31 PolarHBondContact O-N 3.37Å; K27-R31 VanDerWaalsContact O-N 3.08Å; K27-R31 PolarHBondContact O-NE 2.87Å
28	C	91.2	Very high	85.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.9	-45.8	176.4	-166.3	0	0	0	0	110.9	H24 A25 Q26 Y30 R31 R32 Q37 I50	H24-C28 WeakPolarHBondContact O-CB 3.45Å; H24-C28 PolarHBondContact O-N 3.32Å; A25-C28 PolarHBondContact O-N 3.39Å; Q26-C28 VanDerWaalsContact C-N 3.3Å; Q26-C28 PolarHBondContact O-N 3.36Å; C28-Y30 PolarHBondContact O-N 2.98Å; C28-R31 PolarHBondContact O-N 3.17Å; C28-R32 WeakPolarHBondContact O-CG 3.4Å; C28-R32 PolarHBondContact O-N 3.23Å; C28-Q37 PolarHBondContact O-OE1 3.45Å; C28-Q37 PolarHBondContact SG-OE1 2.84Å; C28-I50 HydrophobicContact CB-CD1 4.1Å
29	Q	88.8	Confident	84.5	Confident	23 Å²	23	65.1 Å²	65.1	11%	0.107	34%	0.335	C	S	.	.	H	α-helix	trans	-57.1	-47.3	174.5	-176.2	-179.3	-0.6	0	0	111.1	A25 Q26 R31 R32 L33 I50 E57	A25-Q29 WeakPolarHBondContact O-CB 3.5Å; A25-Q29 PolarHBondContact O-N 3.4Å; Q26-Q29 PolarHBondContact O-N 3.06Å; Q29-R31 PolarHBondContact O-N 2.82Å; Q29-R32 PolarHBondContact O-N 2.86Å; Q29-L33 HydrophobicContact CG-CD1 4.18Å; Q29-L33 WeakPolarHBondContact O-CG 3.4Å; Q29-L33 PolarHBondContact O-N 2.92Å; Q29-I50 HydrophobicContact CB-CG1 4.32Å; Q29-I50 HydrophobicContact CB-CG2 4.32Å; Q29-I50 HydrophobicContact CG-CG2 4.29Å; Q29-E57 PolarHBondContact NE2-OE1 3.07Å
30	Y	86.2	Confident	84	Confident	115 Å²	115	76 Å²	76	45%	0.451	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-43.1	176.3	-175.7	-98.7	0	0	0	112.2	Q26 C28 R32 L33 N34	Q26-Y30 PolarHBondContact O-N 3.19Å; C28-Y30 PolarHBondContact O-N 2.98Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.26Å; Y30-L33 PolarHBondContact O-N 3.44Å; Y30-N34 VanDerWaalsContact CD1-ND2 3.33Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.48Å; Y30-N34 WeakPolarHBondContact CD2-ND2 3.46Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.44Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.27Å; Y30-N34 PolarHBondContact O-N 3.3Å; Y30-N34 VanDerWaalsContact O-N 3.1Å; Y30-N34 PolarHBondContact O-ND2 3.37Å
31	R	86.1	Confident	83.9	Confident	85 Å²	85	72.5 Å²	72.5	32%	0.321	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-36.4	176.9	-80	-174.7	-76.6	-159.3	2.6	113.4	K27 C28 Q29 G35 S36 Q37	K27-R31 WeakPolarHBondContact O-CB 3.24Å; K27-R31 WeakPolarHBondContact O-CG 3.21Å; K27-R31 PolarHBondContact O-N 3.37Å; K27-R31 VanDerWaalsContact O-N 3.08Å; K27-R31 PolarHBondContact O-NE 2.87Å; C28-R31 PolarHBondContact O-N 3.17Å; Q29-R31 PolarHBondContact O-N 2.82Å; R31-G35 PolarHBondContact O-N 3.36Å; R31-S36 VanDerWaalsContact CA-OG 3.24Å; R31-S36 WeakPolarHBondContact CA-OG 3.47Å; R31-S36 VanDerWaalsContact CB-OG 3.25Å; R31-S36 WeakPolarHBondContact CB-OG 3.24Å; R31-S36 WeakPolarHBondContact CG-OG 3.46Å; R31-S36 PolarHBondContact O-N 3.29Å; R31-S36 PolarHBondContact O-OG 3.06Å; R31-Q37 HydrophobicContact CB-CB 4.16Å; R31-Q37 PolarHBondContact O-N 3.35Å
32	R	84.7	Confident	83.9	Confident	108 Å²	108	77.6 Å²	77.6	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-68	-42.1	175.5	-70.6	174.7	72.2	176.4	6.9	112	C28 Q29 Y30 G35 Q37 E47	C28-R32 WeakPolarHBondContact O-CG 3.4Å; C28-R32 PolarHBondContact O-N 3.23Å; Q29-R32 PolarHBondContact O-N 2.86Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.26Å; R32-G35 PolarHBondContact O-N 3.39Å; R32-Q37 HydrophobicContact CG-CB 4.35Å; R32-Q37 HydrophobicContact CG-CG 4.49Å; R32-E47 IonicContact CZ-OE1 3.58Å; R32-E47 IonicContact CZ-OE2 3.64Å; R32-E47 IonicContact NH1-OE1 2.92Å; R32-E47 PolarHBondContact NH1-OE1 3.45Å; R32-E47 IonicContact NH1-OE2 2.71Å; R32-E47 PolarHBondContact NH1-OE2 3Å; R32-E47 IonicContact NH2-OE1 3.95Å; R32-E47 IonicContact NH2-OE2 3.72Å
33	L	83.4	Confident	83.9	Confident	134 Å²	134	79.9 Å²	79.9	70%	0.702	41%	0.407	S	S	*	.	H	α-helix	trans	-67.7	-34.8	179.4	-69.7	173.4	0	0	0	112.6	Q29 Y30 G35	Q29-L33 HydrophobicContact CG-CD1 4.18Å; Q29-L33 WeakPolarHBondContact O-CG 3.4Å; Q29-L33 PolarHBondContact O-N 2.92Å; Y30-L33 PolarHBondContact O-N 3.44Å; L33-G35 VanDerWaalsContact C-N 3.27Å; L33-G35 PolarHBondContact O-N 3.13Å
34	N	83.4	Confident	84	Confident	94 Å²	94	83 Å²	83	50%	0.503	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	11	178	-65.3	-56.7	0	0	0	114	Y30 S36	Y30-N34 VanDerWaalsContact CD1-ND2 3.33Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.48Å; Y30-N34 WeakPolarHBondContact CD2-ND2 3.46Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.44Å; Y30-N34 WeakPolarHBondContact CE2-ND2 3.27Å; Y30-N34 PolarHBondContact O-N 3.3Å; Y30-N34 VanDerWaalsContact O-N 3.1Å; Y30-N34 PolarHBondContact O-ND2 3.37Å; N34-S36 PolarHBondContact O-N 2.81Å
35	G	74.8	Confident	83.9	Confident	60 Å²	60	88.7 Å²	88.7	62%	0.619	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	6.8	178.3	0	0	0	0	0	115.5	R31 R32 L33 Q37	R31-G35 PolarHBondContact O-N 3.36Å; R32-G35 PolarHBondContact O-N 3.39Å; L33-G35 VanDerWaalsContact C-N 3.27Å; L33-G35 PolarHBondContact O-N 3.13Å; G35-Q37 VanDerWaalsContact C-N 3.26Å; G35-Q37 PolarHBondContact O-N 3.4Å
36	S	72.1	Confident	83.9	Confident	81 Å²	81	88.8 Å²	88.8	57%	0.566	45%	0.45	S	S	*	.			trans	-78.7	-7.5	-177.8	70.1	0	0	0	0	114.2	R31 N34	R31-S36 VanDerWaalsContact CA-OG 3.24Å; R31-S36 WeakPolarHBondContact CA-OG 3.47Å; R31-S36 VanDerWaalsContact CB-OG 3.25Å; R31-S36 WeakPolarHBondContact CB-OG 3.24Å; R31-S36 WeakPolarHBondContact CG-OG 3.46Å; R31-S36 PolarHBondContact O-N 3.29Å; R31-S36 PolarHBondContact O-OG 3.06Å; N34-S36 PolarHBondContact O-N 2.81Å
37	Q	67.6	Low	84	Confident	50 Å²	50	91.8 Å²	91.8	23%	0.234	46%	0.464	C	S	.	.			trans	-124.5	98.3	-177	-176.5	170.6	23	0	0	110.6	C28 R31 R32 G35 E39	C28-Q37 PolarHBondContact O-OE1 3.45Å; C28-Q37 PolarHBondContact SG-OE1 2.84Å; R31-Q37 HydrophobicContact CB-CB 4.16Å; R31-Q37 PolarHBondContact O-N 3.35Å; R32-Q37 HydrophobicContact CG-CB 4.35Å; R32-Q37 HydrophobicContact CG-CG 4.49Å; G35-Q37 VanDerWaalsContact C-N 3.26Å; G35-Q37 PolarHBondContact O-N 3.4Å; Q37-E39 WeakPolarHBondContact CG-O 3.49Å; Q37-E39 PolarHBondContact NE2-O 2.86Å
38	T	64.9	Low	84.2	Confident	132 Å²	132	90.4 Å²	90.4	81%	0.81	46%	0.461	S	S	*	.			trans	-80.6	-29.8	175.1	-37.7	0	0	0	0	111.8
39	E	78.4	Confident	84.2	Confident	151 Å²	151	91 Å²	91	71%	0.706	46%	0.464	S	S	*	.	S	Bend	trans	-95.8	143.6	-175.3	-67.7	-58.4	125.7	0	0	113.3	Q37 C41	Q37-E39 WeakPolarHBondContact CG-O 3.49Å; Q37-E39 PolarHBondContact NE2-O 2.86Å; E39-C41 PolarHBondContact O-N 2.76Å
40	R	81.2	Confident	84.3	Confident	227 Å²	227	90 Å²	90	86%	0.857	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-59.8	137.4	173.9	-69.3	-176.1	-177.5	165.8	1.7	109.9	T42	R40-T42 PolarHBondContact O-N 3.26Å
41	C	88.5	Confident	84.6	Confident	27 Å²	27	87.9 Å²	87.9	18%	0.182	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-67.1	130.2	177.9	-167.7	0	0	0	0	110.6	H24 E39 V43 C46	H24-C41 PolarHBondContact NE2-SG 3.29Å; E39-C41 PolarHBondContact O-N 2.76Å; C41-V43 VanDerWaalsContact C-N 3.3Å; C41-C46 HydrophobicContact CB-CB 4.36Å
42	T	91.3	Very high	84.9	Confident	139 Å²	139	84.1 Å²	84.1	85%	0.853	45%	0.448	S	S	*	.			trans	-83.9	-4.9	178.4	55.2	0	0	0	0	113.4	R40	R40-T42 PolarHBondContact O-N 3.26Å
43	V	91	Very high	85.2	Confident	49 Å²	49	79.4 Å²	79.4	30%	0.297	43%	0.431	S	S	.	.	S	Bend	trans	-72.9	123.5	-180	175.6	0	0	0	0	109.6	L21 H24 C41 C46	L21-V43 HydrophobicContact CD1-CG1 3.66Å; H24-V43 WeakPolarHBondContact CE1-CG2 3.43Å; C41-V43 VanDerWaalsContact C-N 3.3Å; V43-C46 HydrophobicContact CB-CB 4.08Å; V43-C46 HydrophobicContact CG1-CB 4.33Å; V43-C46 WeakPolarHBondContact O-CB 3.07Å; V43-C46 PolarHBondContact O-N 3.25Å
44	P	90.5	Very high	85.6	Confident	92 Å²	92	78.1 Å²	78.1	60%	0.597	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	143.3	-179.1	26.5	-35	0	0	0	110.2	L21 C46	L21-P44 WeakPolarHBondContact CD1-O 2.98Å; P44-C46 PolarHBondContact O-N 3.38Å
45	Y	90.2	Very high	86.1	Confident	165 Å²	165	75.8 Å²	75.8	65%	0.647	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	3	-178	-49	-80.8	0	0	0	116	E47 L48 M49	Y45-E47 PolarHBondContact O-N 2.85Å; Y45-L48 HydrophobicContact CD1-CD2 4.22Å; Y45-L48 WeakPolarHBondContact O-CB 3.47Å; Y45-L48 PolarHBondContact O-N 3.43Å; Y45-M49 WeakPolarHBondContact O-CG 3.48Å; Y45-M49 PolarHBondContact O-N 3.15Å
46	C	91.4	Very high	86.9	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.007	38%	0.383	C	S	.	.	H	α-helix	trans	-57.7	-47.2	178.6	-179.6	0	0	0	0	112.2	H24 C41 V43 P44 L48 M49 I50	H24-C46 PolarHBondContact CD2-SG 3.07Å; H24-C46 PolarHBondContact NE2-SG 2.83Å; C41-C46 HydrophobicContact CB-CB 4.36Å; V43-C46 HydrophobicContact CB-CB 4.08Å; V43-C46 HydrophobicContact CG1-CB 4.33Å; V43-C46 WeakPolarHBondContact O-CB 3.07Å; V43-C46 PolarHBondContact O-N 3.25Å; P44-C46 PolarHBondContact O-N 3.38Å; C46-L48 VanDerWaalsContact C-N 3.34Å; C46-L48 PolarHBondContact O-N 3.19Å; C46-M49 WeakPolarHBondContact O-CB 3.09Å; C46-M49 PolarHBondContact O-N 3.06Å; C46-M49 VanDerWaalsContact O-N 3.12Å; C46-I50 WeakPolarHBondContact O-CG1 3.5Å; C46-I50 PolarHBondContact O-N 3.38Å
47	E	90.8	Very high	87.8	Confident	87 Å²	87	77 Å²	77	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-61.6	-39.7	177.8	-67.8	-62.9	151.9	0	0	112.6	R32 Y45 M49 I50 S51	R32-E47 IonicContact CZ-OE1 3.58Å; R32-E47 IonicContact CZ-OE2 3.64Å; R32-E47 IonicContact NH1-OE1 2.92Å; R32-E47 PolarHBondContact NH1-OE1 3.45Å; R32-E47 IonicContact NH1-OE2 2.71Å; R32-E47 PolarHBondContact NH1-OE2 3Å; R32-E47 IonicContact NH2-OE1 3.95Å; R32-E47 IonicContact NH2-OE2 3.72Å; Y45-E47 PolarHBondContact O-N 2.85Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-I50 PolarHBondContact O-N 3.32Å; E47-S51 PolarHBondContact O-N 2.93Å
48	L	91.6	Very high	89	Confident	79 Å²	79	79.9 Å²	79.9	41%	0.414	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-44.7	173.9	175.7	64.1	0	0	0	110.6	Y45 C46 S51 V52	Y45-L48 HydrophobicContact CD1-CD2 4.22Å; Y45-L48 WeakPolarHBondContact O-CB 3.47Å; Y45-L48 PolarHBondContact O-N 3.43Å; C46-L48 VanDerWaalsContact C-N 3.34Å; C46-L48 PolarHBondContact O-N 3.19Å; L48-S51 WeakPolarHBondContact O-CB 3.47Å; L48-S51 PolarHBondContact O-N 3.23Å; L48-V52 PolarHBondContact O-N 3Å; L48-V52 VanDerWaalsContact O-N 3.09Å
49	M	91.2	Very high	90.4	Very high	11 Å²	11	74.2 Å²	74.2	5%	0.054	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-42.7	177.9	-63.7	-52	104.3	0	0	112.6	L21 A25 Y45 C46 E47 S51 V52 L53 W73	L21-M49 HydrophobicContact CD1-CG 4.43Å; L21-M49 HydrophobicContact CD2-CE 3.76Å; L21-M49 HydrophobicContact CD2-CG 3.48Å; L21-M49 VanDerWaalsContact CD2-CG 3.48Å; L21-M49 HydrophobicContact CD2-SD 3.55Å; L21-M49 VanDerWaalsContact CD2-SD 3.55Å; L21-M49 HydrophobicContact CG-CG 3.52Å; L21-M49 HydrophobicContact CG-SD 4.08Å; A25-M49 HydrophobicContact CB-CB 3.33Å; A25-M49 HydrophobicContact CB-CG 4.2Å; Y45-M49 WeakPolarHBondContact O-CG 3.48Å; Y45-M49 PolarHBondContact O-N 3.15Å; C46-M49 WeakPolarHBondContact O-CB 3.09Å; C46-M49 PolarHBondContact O-N 3.06Å; C46-M49 VanDerWaalsContact O-N 3.12Å; E47-M49 VanDerWaalsContact C-N 3.34Å; M49-S51 VanDerWaalsContact C-N 3.29Å; M49-S51 PolarHBondContact O-N 3.37Å; M49-V52 PolarHBondContact O-N 2.96Å; M49-L53 WeakPolarHBondContact O-CB 3.33Å; M49-L53 VanDerWaalsContact O-CG 3.29Å; M49-L53 WeakPolarHBondContact O-CG 3.28Å; M49-L53 PolarHBondContact O-N 2.86Å; M49-W73 HydrophobicContact CB-CH2 4.16Å; M49-W73 HydrophobicContact CB-CZ3 4.04Å; M49-W73 HydrophobicContact CE-CH2 3.29Å; M49-W73 HydrophobicContact CE-CZ2 3.19Å; M49-W73 HydrophobicContact CE-CZ3 4.35Å; M49-W73 HydrophobicContact CG-CH2 4.11Å; M49-W73 HydrophobicContact CG-CZ3 4.33Å; M49-W73 HydrophobicContact SD-CD2 4.35Å; M49-W73 HydrophobicContact SD-CE3 4.29Å; M49-W73 HydrophobicContact SD-CH2 3.05Å; M49-W73 WeakPolarHBondContact SD-CH2 3.47Å; M49-W73 HydrophobicContact SD-CZ2 3.09Å; M49-W73 WeakPolarHBondContact SD-CZ2 3.36Å; M49-W73 HydrophobicContact SD-CZ3 3.56Å; M49-W73 VanDerWaalsContact SD-CZ3 3.56Å
50	I	91.8	Very high	91.1	Very high	3 Å²	3	75.7 Å²	75.7	2%	0.015	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176	-67.7	170.9	0	0	0	110.4	A25 C28 Q29 C46 E47 L53 K54	A25-I50 HydrophobicContact CB-CG1 4.08Å; C28-I50 HydrophobicContact CB-CD1 4.1Å; Q29-I50 HydrophobicContact CB-CG1 4.32Å; Q29-I50 HydrophobicContact CB-CG2 4.32Å; Q29-I50 HydrophobicContact CG-CG2 4.29Å; C46-I50 WeakPolarHBondContact O-CG1 3.5Å; C46-I50 PolarHBondContact O-N 3.38Å; E47-I50 PolarHBondContact O-N 3.32Å; I50-L53 PolarHBondContact O-N 3.35Å; I50-K54 HydrophobicContact CG2-CD 4.4Å; I50-K54 WeakPolarHBondContact O-CG 3.05Å; I50-K54 PolarHBondContact O-N 2.95Å
51	S	92.2	Very high	91.6	Very high	71 Å²	71	69.6 Å²	69.6	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-46.8	178.2	177.9	0	0	0	0	112.2	E47 L48 M49 K54 H55	E47-S51 PolarHBondContact O-N 2.93Å; L48-S51 WeakPolarHBondContact O-CB 3.47Å; L48-S51 PolarHBondContact O-N 3.23Å; M49-S51 VanDerWaalsContact C-N 3.29Å; M49-S51 PolarHBondContact O-N 3.37Å; S51-K54 PolarHBondContact O-N 3.09Å; S51-H55 PolarHBondContact O-N 3.27Å
52	V	92	Very high	91.7	Very high	6 Å²	6	69.2 Å²	69.2	4%	0.036	36%	0.364	C	S	.	.	H	α-helix	trans	-72.8	-29.9	179.1	169.6	0	0	0	0	111.5	L48 M49 H55 M56 V67 W73	L48-V52 PolarHBondContact O-N 3Å; L48-V52 VanDerWaalsContact O-N 3.09Å; M49-V52 PolarHBondContact O-N 2.96Å; V52-H55 CarbonylContact O-C 3.58Å; V52-H55 WeakPolarHBondContact O-CB 3.24Å; V52-H55 PolarHBondContact O-N 3.23Å; V52-M56 HydrophobicContact CG1-CG 4.45Å; V52-M56 HydrophobicContact CG1-SD 4.36Å; V52-M56 WeakPolarHBondContact O-CB 3.42Å; V52-M56 VanDerWaalsContact O-CG 3.28Å; V52-M56 WeakPolarHBondContact O-CG 3.42Å; V52-M56 PolarHBondContact O-N 2.89Å; V52-V67 HydrophobicContact CG2-CG1 4.43Å; V52-W73 HydrophobicContact CB-CE3 3.73Å; V52-W73 HydrophobicContact CB-CH2 3.5Å; V52-W73 HydrophobicContact CB-CZ3 3.15Å; V52-W73 HydrophobicContact CG1-CD2 3.97Å; V52-W73 HydrophobicContact CG1-CE3 3.22Å; V52-W73 HydrophobicContact CG1-CH2 3.77Å; V52-W73 HydrophobicContact CG1-CZ2 4.48Å; V52-W73 HydrophobicContact CG1-CZ3 3.24Å; V52-W73 HydrophobicContact CG2-CH2 3.71Å; V52-W73 HydrophobicContact CG2-CZ3 3.92Å
53	L	91.2	Very high	91.6	Very high	9 Å²	9	68.6 Å²	68.6	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-48.1	169.4	-76.3	167.5	0	0	0	111.6	L22 A25 Q26 M49 I50 H55 M56 E57 L77	L22-L53 HydrophobicContact CD2-CD2 4.37Å; A25-L53 HydrophobicContact CB-CD1 3.7Å; Q26-L53 HydrophobicContact CB-CD1 4.4Å; Q26-L53 HydrophobicContact CG-CD1 3.53Å; Q26-L53 HydrophobicContact CG-CD2 3.86Å; Q26-L53 HydrophobicContact CG-CG 4.37Å; M49-L53 WeakPolarHBondContact O-CB 3.33Å; M49-L53 VanDerWaalsContact O-CG 3.29Å; M49-L53 WeakPolarHBondContact O-CG 3.28Å; M49-L53 PolarHBondContact O-N 2.86Å; I50-L53 PolarHBondContact O-N 3.35Å; L53-H55 VanDerWaalsContact C-N 3.28Å; L53-H55 PolarHBondContact O-N 2.66Å; L53-M56 WeakPolarHBondContact O-CA 3.47Å; L53-M56 WeakPolarHBondContact O-CB 3.37Å; L53-M56 PolarHBondContact O-N 2.99Å; L53-E57 PolarHBondContact O-N 3.29Å; L53-E57 VanDerWaalsContact O-N 3.09Å; L53-L77 HydrophobicContact CD2-CD1 3.98Å
54	K	91.8	Very high	91.6	Very high	106 Å²	106	72.8 Å²	72.8	46%	0.461	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-39.9	173.4	-70.5	175.4	177.6	-175.4	0	112.2	I50 S51 M56 E57	I50-K54 HydrophobicContact CG2-CD 4.4Å; I50-K54 WeakPolarHBondContact O-CG 3.05Å; I50-K54 PolarHBondContact O-N 2.95Å; S51-K54 PolarHBondContact O-N 3.09Å; K54-M56 VanDerWaalsContact C-N 3.33Å; K54-E57 WeakPolarHBondContact O-CB 3.49Å; K54-E57 PolarHBondContact O-N 3.38Å
55	H	93.8	Very high	91.8	Very high	45 Å²	45	69.2 Å²	69.2	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-40.4	172.9	169.3	76.3	0	0	0	111.4	S51 V52 L53 E57 T58 C59 C65 V67 C70	S51-H55 PolarHBondContact O-N 3.27Å; V52-H55 CarbonylContact O-C 3.58Å; V52-H55 WeakPolarHBondContact O-CB 3.24Å; V52-H55 PolarHBondContact O-N 3.23Å; L53-H55 VanDerWaalsContact C-N 3.28Å; L53-H55 PolarHBondContact O-N 2.66Å; H55-E57 VanDerWaalsContact C-N 3.26Å; H55-E57 PolarHBondContact O-N 2.91Å; H55-T58 PolarHBondContact O-N 3.28Å; H55-T58 PolarHBondContact O-OG1 2.79Å; H55-C59 VanDerWaalsContact CE1-CB 3.43Å; H55-C59 WeakPolarHBondContact CE1-CB 3.44Å; H55-C59 VanDerWaalsContact NE2-CB 3.26Å; H55-C59 WeakPolarHBondContact NE2-CB 3.28Å; H55-C59 PolarHBondContact NE2-SG 3.13Å; H55-C59 WeakPolarHBondContact O-CB 3.08Å; H55-C59 PolarHBondContact O-N 3.26Å; H55-C65 PolarHBondContact NE2-SG 3.41Å; H55-V67 WeakPolarHBondContact CE1-CG2 3.43Å; H55-C70 PolarHBondContact CD2-SG 3.12Å; H55-C70 PolarHBondContact NE2-SG 3.4Å
56	M	91.9	Very high	92	Very high	32 Å²	32	67.7 Å²	67.7	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-29.6	179	-77	175	52.7	0	0	113.3	V52 L53 K54 T58 W73 R74 L77	V52-M56 HydrophobicContact CG1-CG 4.45Å; V52-M56 HydrophobicContact CG1-SD 4.36Å; V52-M56 WeakPolarHBondContact O-CB 3.42Å; V52-M56 VanDerWaalsContact O-CG 3.28Å; V52-M56 WeakPolarHBondContact O-CG 3.42Å; V52-M56 PolarHBondContact O-N 2.89Å; L53-M56 WeakPolarHBondContact O-CA 3.47Å; L53-M56 WeakPolarHBondContact O-CB 3.37Å; L53-M56 PolarHBondContact O-N 2.99Å; K54-M56 VanDerWaalsContact C-N 3.33Å; M56-T58 VanDerWaalsContact C-N 3.29Å; M56-T58 PolarHBondContact O-N 3.35Å; M56-W73 HydrophobicContact SD-CB 3.9Å; M56-W73 HydrophobicContact SD-CE3 4.5Å; M56-R74 HydrophobicContact CE-CB 4.24Å; M56-R74 HydrophobicContact CE-CG 3.46Å; M56-R74 VanDerWaalsContact CE-CG 3.46Å; M56-R74 HydrophobicContact CG-CG 4.25Å; M56-R74 PolarHBondContact O-NH2 3.37Å; M56-R74 HydrophobicContact SD-CG 4.16Å; M56-L77 HydrophobicContact CE-CD1 3.75Å
57	E	90.7	Very high	92	Very high	134 Å²	134	69.9 Å²	69.9	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-62.1	-33.9	175	-67.8	164.6	-164.3	0	0	112.6	Q29 L53 K54 H55	Q29-E57 PolarHBondContact NE2-OE1 3.07Å; L53-E57 PolarHBondContact O-N 3.29Å; L53-E57 VanDerWaalsContact O-N 3.09Å; K54-E57 WeakPolarHBondContact O-CB 3.49Å; K54-E57 PolarHBondContact O-N 3.38Å; H55-E57 VanDerWaalsContact C-N 3.26Å; H55-E57 PolarHBondContact O-N 2.91Å
58	T	93	Very high	92	Very high	111 Å²	111	70.2 Å²	70.2	68%	0.681	38%	0.376	S	S	*	.	H	α-helix	trans	-106.8	-20.3	-176.3	54.7	0	0	0	0	113.7	H55 M56	H55-T58 PolarHBondContact O-N 3.28Å; H55-T58 PolarHBondContact O-OG1 2.79Å; M56-T58 VanDerWaalsContact C-N 3.29Å; M56-T58 PolarHBondContact O-N 3.35Å
59	C	93.6	Very high	91.9	Very high	13 Å²	13	70.2 Å²	70.2	9%	0.088	37%	0.373	C	S	.	.			trans	-76.5	136.2	-177	176.3	0	0	0	0	112	H55 R74	H55-C59 VanDerWaalsContact CE1-CB 3.43Å; H55-C59 WeakPolarHBondContact CE1-CB 3.44Å; H55-C59 VanDerWaalsContact NE2-CB 3.26Å; H55-C59 WeakPolarHBondContact NE2-CB 3.28Å; H55-C59 PolarHBondContact NE2-SG 3.13Å; H55-C59 WeakPolarHBondContact O-CB 3.08Å; H55-C59 PolarHBondContact O-N 3.26Å; C59-R74 VanDerWaalsContact C-NH2 3.29Å; C59-R74 VanDerWaalsContact CB-NH2 3.26Å; C59-R74 VanDerWaalsContact O-CZ 3.24Å; C59-R74 PolarHBondContact O-NH1 3.19Å; C59-R74 PolarHBondContact O-NH2 3.21Å
60	Q	93.6	Very high	92	Very high	183 Å²	183	69.7 Å²	69.7	86%	0.855	37%	0.371	S	S	*	.			trans	-125.2	-1.1	175.2	-62.5	179.8	-1.4	0	0	112.5	G62	Q60-G62 PolarHBondContact O-N 2.85Å
61	I	92.1	Very high	92	Very high	98 Å²	98	74.6 Å²	74.6	50%	0.503	39%	0.39	S	S	.	.			trans	-64.1	-28.4	-174.8	-54.4	174.5	0	0	0	111.9	H63 Q64 C65	I61-H63 PolarHBondContact O-N 2.63Å; I61-Q64 HydrophobicContact CG2-CB 3.67Å; I61-C65 HydrophobicContact CB-CB 4.06Å; I61-C65 HydrophobicContact CG2-CB 4.22Å
62	G	89.1	Confident	92	Very high	19 Å²	19	73.2 Å²	73.2	20%	0.196	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	68.1	-125.9	179.7	0	0	0	0	0	112	Q60 Q64 C65	Q60-G62 PolarHBondContact O-N 2.85Å; G62-Q64 VanDerWaalsContact C-N 3.26Å; G62-Q64 PolarHBondContact O-N 3.34Å; G62-C65 VanDerWaalsContact O-CB 3.24Å; G62-C65 WeakPolarHBondContact O-CB 3.36Å; G62-C65 PolarHBondContact O-N 2.94Å
63	H	89.3	Confident	91.9	Very high	127 Å²	127	73 Å²	73	59%	0.588	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.2	-173.8	76.8	-93.5	0	0	0	114.3	I61 C65 Y71	I61-H63 PolarHBondContact O-N 2.63Å; H63-C65 PolarHBondContact O-N 3.44Å; H63-Y71 HydrophobicContact CB-CD1 4.38Å; H63-Y71 HydrophobicContact CB-CD2 3.78Å; H63-Y71 HydrophobicContact CB-CE1 4.17Å; H63-Y71 HydrophobicContact CB-CE2 3.54Å; H63-Y71 HydrophobicContact CB-CG 4.19Å
64	Q	92.1	Very high	91.9	Very high	137 Å²	137	75.5 Å²	75.5	64%	0.64	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-86.6	3.2	179.4	-55.1	175.6	26.6	0	0	112	I61 G62 T66	I61-Q64 HydrophobicContact CG2-CB 3.67Å; G62-Q64 VanDerWaalsContact C-N 3.26Å; G62-Q64 PolarHBondContact O-N 3.34Å; Q64-T66 PolarHBondContact O-N 3.34Å
65	C	94	Very high	91.9	Very high	16 Å²	16	74.6 Å²	74.6	11%	0.108	39%	0.387	C	S	.	.			trans	-67.1	122.4	-178.9	-171	0	0	0	0	110.1	H55 I61 G62 H63 V67 C70	H55-C65 PolarHBondContact NE2-SG 3.41Å; I61-C65 HydrophobicContact CB-CB 4.06Å; I61-C65 HydrophobicContact CG2-CB 4.22Å; G62-C65 VanDerWaalsContact O-CB 3.24Å; G62-C65 WeakPolarHBondContact O-CB 3.36Å; G62-C65 PolarHBondContact O-N 2.94Å; H63-C65 PolarHBondContact O-N 3.44Å; C65-V67 VanDerWaalsContact C-N 3.28Å; C65-V67 PolarHBondContact O-N 3.2Å; C65-C70 HydrophobicContact CB-CB 4.2Å
66	T	94.5	Very high	91.8	Very high	133 Å²	133	73.2 Å²	73.2	82%	0.816	38%	0.381	S	S	*	.			trans	-78.5	-12.5	179.6	55.2	0	0	0	0	113	Q64 P68	Q64-T66 PolarHBondContact O-N 3.34Å; T66-P68 WeakPolarHBondContact O-CD 3.1Å
67	V	91.9	Very high	91.6	Very high	47 Å²	47	72.2 Å²	72.2	29%	0.285	38%	0.376	S	S	.	.	S	Bend	trans	-67.8	122.8	176.7	175.8	0	0	0	0	109.2	V52 H55 C65 H69 C70	V52-V67 HydrophobicContact CG2-CG1 4.43Å; H55-V67 WeakPolarHBondContact CE1-CG2 3.43Å; C65-V67 VanDerWaalsContact C-N 3.28Å; C65-V67 PolarHBondContact O-N 3.2Å; V67-H69 PolarHBondContact O-N 3.46Å; V67-C70 HydrophobicContact CB-CB 4.16Å; V67-C70 HydrophobicContact CG1-CB 4.38Å; V67-C70 WeakPolarHBondContact O-CB 3.26Å; V67-C70 PolarHBondContact O-N 3.21Å
68	P	90.5	Very high	91.6	Very high	94 Å²	94	71.5 Å²	71.5	61%	0.61	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	134.2	178.3	-28.8	35.7	0	0	0	111.2	T66 C70	T66-P68 WeakPolarHBondContact O-CD 3.1Å; P68-C70 PolarHBondContact O-N 3.18Å
69	H	89.9	Confident	91.5	Very high	79 Å²	79	69.2 Å²	69.2	37%	0.366	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-7.5	177.7	-49.2	-66.6	0	0	0	118.5	V67 Y71 S72 W73	V67-H69 PolarHBondContact O-N 3.46Å; H69-Y71 PolarHBondContact O-N 2.9Å; H69-S72 VanDerWaalsContact CA-OG 3.24Å; H69-S72 WeakPolarHBondContact CA-OG 3.4Å; H69-S72 PolarHBondContact O-N 3.41Å; H69-S72 PolarHBondContact O-OG 3.27Å; H69-S72 VanDerWaalsContact O-OG 3.08Å; H69-W73 HydrophobicContact CB-CD2 3.72Å; H69-W73 HydrophobicContact CB-CG 3.94Å; H69-W73 HydrophobicContact CB-CH2 4.25Å; H69-W73 HydrophobicContact CB-CZ2 3.39Å; H69-W73 VanDerWaalsContact CB-NE1 3.34Å; H69-W73 AromaticContact CD2-CZ2 3.68Å; H69-W73 AromaticContact CG-CE2 3.71Å; H69-W73 AromaticContact CG-CZ2 3.59Å; H69-W73 AromaticContact CG-NE1 3.69Å; H69-W73 AromaticContact ND1-NE1 3.93Å; H69-W73 VanDerWaalsContact O-CB 3.24Å; H69-W73 WeakPolarHBondContact O-CB 3.36Å; H69-W73 VanDerWaalsContact O-CG 3.23Å; H69-W73 PolarHBondContact O-N 3.17Å
70	C	92.5	Very high	91.2	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-54.5	-52.3	-179.6	177.8	0	0	0	0	111.7	H55 C65 V67 P68 R74	H55-C70 PolarHBondContact CD2-SG 3.12Å; H55-C70 PolarHBondContact NE2-SG 3.4Å; C65-C70 HydrophobicContact CB-CB 4.2Å; V67-C70 HydrophobicContact CB-CB 4.16Å; V67-C70 HydrophobicContact CG1-CB 4.38Å; V67-C70 WeakPolarHBondContact O-CB 3.26Å; V67-C70 PolarHBondContact O-N 3.21Å; P68-C70 PolarHBondContact O-N 3.18Å; C70-R74 WeakPolarHBondContact O-CB 3.37Å; C70-R74 VanDerWaalsContact O-CG 3.27Å; C70-R74 WeakPolarHBondContact O-CG 3.34Å; C70-R74 PolarHBondContact O-N 3.38Å; C70-R74 PolarHBondContact SG-NE 2.97Å; C70-R74 VanDerWaalsContact SG-NE 3.43Å
71	Y	92.8	Very high	90.8	Very high	106 Å²	106	64.3 Å²	64.3	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-47.9	179.2	-179.9	-115.9	0	0	0	112.5	H63 H69 W73 R74 L75	H63-Y71 HydrophobicContact CB-CD1 4.38Å; H63-Y71 HydrophobicContact CB-CD2 3.78Å; H63-Y71 HydrophobicContact CB-CE1 4.17Å; H63-Y71 HydrophobicContact CB-CE2 3.54Å; H63-Y71 HydrophobicContact CB-CG 4.19Å; H69-Y71 PolarHBondContact O-N 2.9Å; Y71-W73 VanDerWaalsContact C-N 3.32Å; Y71-W73 PolarHBondContact O-N 2.78Å; Y71-R74 WeakPolarHBondContact O-CB 3.38Å; Y71-R74 PolarHBondContact O-N 3.38Å; Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.57Å; Y71-L75 HydrophobicContact CE1-CG 4.35Å; Y71-L75 HydrophobicContact CE2-CD1 4.33Å; Y71-L75 HydrophobicContact CE2-CD2 4.33Å; Y71-L75 HydrophobicContact CE2-CG 4.28Å; Y71-L75 WeakPolarHBondContact O-CG 3.45Å; Y71-L75 PolarHBondContact O-N 2.88Å; Y71-L75 VanDerWaalsContact O-N 3.11Å
72	S	90.9	Very high	90.6	Very high	42 Å²	42	63.4 Å²	63.4	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-40.3	-178.6	55.5	0	0	0	0	112.2	H69 L75 I76	H69-S72 VanDerWaalsContact CA-OG 3.24Å; H69-S72 WeakPolarHBondContact CA-OG 3.4Å; H69-S72 PolarHBondContact O-N 3.41Å; H69-S72 PolarHBondContact O-OG 3.27Å; H69-S72 VanDerWaalsContact O-OG 3.08Å; S72-L75 WeakPolarHBondContact O-CB 3.19Å; S72-L75 PolarHBondContact O-N 2.99Å; S72-I76 WeakPolarHBondContact O-CG1 3.39Å; S72-I76 PolarHBondContact O-N 2.81Å
73	W	90.7	Very high	90.6	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-74.2	-33.8	179.7	-67.7	-1.4	0	0	0	112.7	L22 M49 V52 M56 H69 Y71 L75 I76 L77	L22-W73 HydrophobicContact CD1-CB 4.24Å; L22-W73 HydrophobicContact CD1-CG 4.13Å; L22-W73 HydrophobicContact CD2-CB 4.18Å; L22-W73 HydrophobicContact CD2-CD2 3.7Å; L22-W73 HydrophobicContact CD2-CE3 3.41Å; L22-W73 VanDerWaalsContact CD2-CE3 3.41Å; L22-W73 HydrophobicContact CD2-CG 4Å; L22-W73 HydrophobicContact CD2-CZ3 4.04Å; L22-W73 HydrophobicContact CG-CD2 4.46Å; M49-W73 HydrophobicContact CB-CH2 4.16Å; M49-W73 HydrophobicContact CB-CZ3 4.04Å; M49-W73 HydrophobicContact CE-CH2 3.29Å; M49-W73 HydrophobicContact CE-CZ2 3.19Å; M49-W73 HydrophobicContact CE-CZ3 4.35Å; M49-W73 HydrophobicContact CG-CH2 4.11Å; M49-W73 HydrophobicContact CG-CZ3 4.33Å; M49-W73 HydrophobicContact SD-CD2 4.35Å; M49-W73 HydrophobicContact SD-CE3 4.29Å; M49-W73 HydrophobicContact SD-CH2 3.05Å; M49-W73 WeakPolarHBondContact SD-CH2 3.47Å; M49-W73 HydrophobicContact SD-CZ2 3.09Å; M49-W73 WeakPolarHBondContact SD-CZ2 3.36Å; M49-W73 HydrophobicContact SD-CZ3 3.56Å; M49-W73 VanDerWaalsContact SD-CZ3 3.56Å; V52-W73 HydrophobicContact CB-CE3 3.73Å; V52-W73 HydrophobicContact CB-CH2 3.5Å; V52-W73 HydrophobicContact CB-CZ3 3.15Å; V52-W73 HydrophobicContact CG1-CD2 3.97Å; V52-W73 HydrophobicContact CG1-CE3 3.22Å; V52-W73 HydrophobicContact CG1-CH2 3.77Å; V52-W73 HydrophobicContact CG1-CZ2 4.48Å; V52-W73 HydrophobicContact CG1-CZ3 3.24Å; V52-W73 HydrophobicContact CG2-CH2 3.71Å; V52-W73 HydrophobicContact CG2-CZ3 3.92Å; M56-W73 HydrophobicContact SD-CB 3.9Å; M56-W73 HydrophobicContact SD-CE3 4.5Å; H69-W73 HydrophobicContact CB-CD2 3.72Å; H69-W73 HydrophobicContact CB-CG 3.94Å; H69-W73 HydrophobicContact CB-CH2 4.25Å; H69-W73 HydrophobicContact CB-CZ2 3.39Å; H69-W73 VanDerWaalsContact CB-NE1 3.34Å; H69-W73 AromaticContact CD2-CZ2 3.68Å; H69-W73 AromaticContact CG-CE2 3.71Å; H69-W73 AromaticContact CG-CZ2 3.59Å; H69-W73 AromaticContact CG-NE1 3.69Å; H69-W73 AromaticContact ND1-NE1 3.93Å; H69-W73 VanDerWaalsContact O-CB 3.24Å; H69-W73 WeakPolarHBondContact O-CB 3.36Å; H69-W73 VanDerWaalsContact O-CG 3.23Å; H69-W73 PolarHBondContact O-N 3.17Å; Y71-W73 VanDerWaalsContact C-N 3.32Å; Y71-W73 PolarHBondContact O-N 2.78Å; W73-L75 PolarHBondContact O-N 3.17Å; W73-I76 PolarHBondContact O-N 3.43Å; W73-L77 WeakPolarHBondContact O-CB 3.47Å; W73-L77 PolarHBondContact O-N 3.34Å
74	R	91.4	Very high	90.4	Very high	61 Å²	61	64 Å²	64	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-53.9	-45.6	167.4	-79.2	174.7	-168.4	-124	-16.2	111.1	M56 C59 C70 Y71 H78	M56-R74 HydrophobicContact CE-CB 4.24Å; M56-R74 HydrophobicContact CE-CG 3.46Å; M56-R74 VanDerWaalsContact CE-CG 3.46Å; M56-R74 HydrophobicContact CG-CG 4.25Å; M56-R74 PolarHBondContact O-NH2 3.37Å; M56-R74 HydrophobicContact SD-CG 4.16Å; C59-R74 VanDerWaalsContact C-NH2 3.29Å; C59-R74 VanDerWaalsContact CB-NH2 3.26Å; C59-R74 VanDerWaalsContact O-CZ 3.24Å; C59-R74 PolarHBondContact O-NH1 3.19Å; C59-R74 PolarHBondContact O-NH2 3.21Å; C70-R74 WeakPolarHBondContact O-CB 3.37Å; C70-R74 VanDerWaalsContact O-CG 3.27Å; C70-R74 WeakPolarHBondContact O-CG 3.34Å; C70-R74 PolarHBondContact O-N 3.38Å; C70-R74 PolarHBondContact SG-NE 2.97Å; C70-R74 VanDerWaalsContact SG-NE 3.43Å; Y71-R74 WeakPolarHBondContact O-CB 3.38Å; Y71-R74 PolarHBondContact O-N 3.38Å; R74-H78 WeakPolarHBondContact O-CB 3.46Å; R74-H78 PolarHBondContact O-N 2.9Å
75	L	91.9	Very high	90.1	Very high	88 Å²	88	64.8 Å²	64.8	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-44.7	178.2	-67	176.1	0	0	0	112.3	Y71 S72 W73 H78 H79	Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.57Å; Y71-L75 HydrophobicContact CE1-CG 4.35Å; Y71-L75 HydrophobicContact CE2-CD1 4.33Å; Y71-L75 HydrophobicContact CE2-CD2 4.33Å; Y71-L75 HydrophobicContact CE2-CG 4.28Å; Y71-L75 WeakPolarHBondContact O-CG 3.45Å; Y71-L75 PolarHBondContact O-N 2.88Å; Y71-L75 VanDerWaalsContact O-N 3.11Å; S72-L75 WeakPolarHBondContact O-CB 3.19Å; S72-L75 PolarHBondContact O-N 2.99Å; W73-L75 PolarHBondContact O-N 3.17Å; L75-H78 PolarHBondContact O-N 2.96Å; L75-H79 WeakPolarHBondContact O-CB 3.42Å; L75-H79 PolarHBondContact O-N 3.36Å
76	I	91	Very high	89.5	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.082	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-47.6	179.9	-67.1	168.6	0	0	0	111.2	I15 Q18 L19 L22 S72 W73 H79 W80	I15-I76 HydrophobicContact CG2-CG1 4.3Å; Q18-I76 HydrophobicContact CB-CD1 4.08Å; L19-I76 HydrophobicContact CB-CG2 3.82Å; L19-I76 HydrophobicContact CD1-CG2 3.84Å; L19-I76 HydrophobicContact CG-CG2 4.29Å; L22-I76 HydrophobicContact CD1-CB 4.23Å; L22-I76 HydrophobicContact CD1-CG2 3.82Å; S72-I76 WeakPolarHBondContact O-CG1 3.39Å; S72-I76 PolarHBondContact O-N 2.81Å; W73-I76 PolarHBondContact O-N 3.43Å; I76-H79 PolarHBondContact O-N 2.99Å; I76-W80 WeakPolarHBondContact O-CB 3.49Å; I76-W80 PolarHBondContact O-N 3.3Å
77	L	88.9	Confident	89.1	Confident	10 Å²	10	67 Å²	67	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-65.7	-43	176.8	-78.2	178	0	0	0	111.7	L22 L53 M56 W73 H79 W80 Y81	L22-L77 HydrophobicContact CB-CD2 4.29Å; L22-L77 HydrophobicContact CD1-CD2 4.49Å; L22-L77 HydrophobicContact CD1-CG 4.23Å; L22-L77 HydrophobicContact CD2-CD1 4.42Å; L53-L77 HydrophobicContact CD2-CD1 3.98Å; M56-L77 HydrophobicContact CE-CD1 3.75Å; W73-L77 WeakPolarHBondContact O-CB 3.47Å; W73-L77 PolarHBondContact O-N 3.34Å; L77-H79 VanDerWaalsContact C-N 3.34Å; L77-H79 PolarHBondContact O-N 3.37Å; L77-W80 WeakPolarHBondContact O-CB 3.48Å; L77-W80 PolarHBondContact O-N 3.4Å; L77-W80 VanDerWaalsContact O-N 3.13Å; L77-Y81 HydrophobicContact CB-CD2 4.35Å; L77-Y81 HydrophobicContact CB-CE2 3.93Å; L77-Y81 HydrophobicContact CD2-CE2 4.14Å; L77-Y81 HydrophobicContact CG-CE2 4.49Å; L77-Y81 WeakPolarHBondContact O-CD2 3.29Å; L77-Y81 PolarHBondContact O-N 3.41Å
78	H	89.8	Confident	88.9	Confident	119 Å²	119	65.4 Å²	65.4	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-58	-48.4	176.2	179.7	77.4	0	0	0	110.9	R74 L75 W80 Y81 T82	R74-H78 WeakPolarHBondContact O-CB 3.46Å; R74-H78 PolarHBondContact O-N 2.9Å; L75-H78 PolarHBondContact O-N 2.96Å; H78-W80 VanDerWaalsContact C-N 3.33Å; H78-W80 PolarHBondContact O-N 3.12Å; H78-Y81 PolarHBondContact O-N 2.94Å; H78-T82 WeakPolarHBondContact O-CG2 3.49Å; H78-T82 PolarHBondContact O-N 2.99Å; H78-T82 PolarHBondContact O-OG1 3.48Å
79	H	91.1	Very high	88.8	Confident	64 Å²	64	65.7 Å²	65.7	30%	0.296	33%	0.332	S	S	.	.	H	α-helix	trans	-56.9	-47.1	173.3	171.5	73.8	0	0	0	111.3	L75 I76 L77 Y81 T82 C83 C88 C91	L75-H79 WeakPolarHBondContact O-CB 3.42Å; L75-H79 PolarHBondContact O-N 3.36Å; I76-H79 PolarHBondContact O-N 2.99Å; L77-H79 VanDerWaalsContact C-N 3.34Å; L77-H79 PolarHBondContact O-N 3.37Å; H79-Y81 VanDerWaalsContact C-N 3.34Å; H79-Y81 PolarHBondContact O-N 3.4Å; H79-T82 PolarHBondContact O-N 3.09Å; H79-C83 WeakPolarHBondContact O-CA 3.12Å; H79-C83 WeakPolarHBondContact O-CB 3.4Å; H79-C83 PolarHBondContact O-N 3.14Å; H79-C88 VanDerWaalsContact CE1-SG 3.6Å; H79-C88 PolarHBondContact NE2-SG 3.4Å; H79-C91 PolarHBondContact NE2-SG 3.2Å; H79-C91 VanDerWaalsContact NE2-SG 3.35Å
80	W	88.2	Confident	88.8	Confident	9 Å²	9	62.7 Å²	62.7	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-43.5	179.6	175.5	-108	0	0	0	112.9	L19 L23 I76 L77 H78 C91 L94 N95 K100	L19-W80 HydrophobicContact CD1-CB 3.71Å; L19-W80 HydrophobicContact CD1-CD2 4.1Å; L19-W80 HydrophobicContact CD1-CE3 4.4Å; L19-W80 HydrophobicContact CD1-CG 3.81Å; L19-W80 HydrophobicContact CD2-CB 4.32Å; L19-W80 HydrophobicContact CD2-CD2 4.07Å; L19-W80 HydrophobicContact CD2-CE3 3.51Å; L19-W80 HydrophobicContact CD2-CG 4.43Å; L19-W80 HydrophobicContact CD2-CZ3 4.12Å; L19-W80 HydrophobicContact CG-CE3 4.35Å; L23-W80 HydrophobicContact CD1-CH2 4.45Å; L23-W80 HydrophobicContact CD1-CZ2 3.99Å; I76-W80 WeakPolarHBondContact O-CB 3.49Å; I76-W80 PolarHBondContact O-N 3.3Å; L77-W80 WeakPolarHBondContact O-CB 3.48Å; L77-W80 PolarHBondContact O-N 3.4Å; L77-W80 VanDerWaalsContact O-N 3.13Å; H78-W80 VanDerWaalsContact C-N 3.33Å; H78-W80 PolarHBondContact O-N 3.12Å; W80-C91 HydrophobicContact CE3-CB 4.02Å; W80-C91 VanDerWaalsContact CE3-SG 3.57Å; W80-C91 HydrophobicContact CZ3-CB 3.77Å; W80-L94 HydrophobicContact CH2-CB 3.74Å; W80-L94 WeakPolarHBondContact CH2-O 2.92Å; W80-L94 HydrophobicContact CZ3-CB 3.81Å; W80-N95 HydrophobicContact CH2-CB 4.26Å; W80-K100 HydrophobicContact CH2-CG 4.43Å; W80-K100 HydrophobicContact CZ2-CG 3.99Å; W80-K100 PolarHBondContact O-NZ 3.3Å
81	Y	84.5	Confident	88.5	Confident	84 Å²	84	62.7 Å²	62.7	33%	0.329	32%	0.319	S	S	.	.	H	α-helix	trans	-75.2	-32.8	-179.1	-64.9	-55.8	0	0	0	114	Q26 L77 H78 H79 F103 I107	Q26-Y81 PolarHBondContact NE2-OH 3.45Å; Q26-Y81 VanDerWaalsContact NE2-OH 3.13Å; Q26-Y81 PolarHBondContact OE1-OH 3.4Å; L77-Y81 HydrophobicContact CB-CD2 4.35Å; L77-Y81 HydrophobicContact CB-CE2 3.93Å; L77-Y81 HydrophobicContact CD2-CE2 4.14Å; L77-Y81 HydrophobicContact CG-CE2 4.49Å; L77-Y81 WeakPolarHBondContact O-CD2 3.29Å; L77-Y81 PolarHBondContact O-N 3.41Å; H78-Y81 PolarHBondContact O-N 2.94Å; H79-Y81 VanDerWaalsContact C-N 3.34Å; H79-Y81 PolarHBondContact O-N 3.4Å; Y81-F103 AromaticContact CE1-CD1 3.96Å; Y81-F103 HydrophobicContact CE1-CD1 3.96Å; Y81-F103 HydrophobicContact CE1-CE1 4.2Å; Y81-I107 WeakPolarHBondContact OH-CD1 3.37Å
82	T	87.6	Confident	88.1	Confident	79 Å²	79	60.6 Å²	60.6	49%	0.485	32%	0.32	S	S	.	.	H	α-helix	trans	-94.8	-18.1	-177.1	61.6	0	0	0	0	113.4	H78 H79 V84	H78-T82 WeakPolarHBondContact O-CG2 3.49Å; H78-T82 PolarHBondContact O-N 2.99Å; H78-T82 PolarHBondContact O-OG1 3.48Å; H79-T82 PolarHBondContact O-N 3.09Å; T82-V84 PolarHBondContact O-N 2.92Å
83	C	89	Confident	87.7	Confident	15 Å²	15	62.4 Å²	62.4	10%	0.101	33%	0.331	C	S	.	.			trans	-74.7	109.9	-179.4	-177.8	0	0	0	0	111.7	H79 C88 K100	H79-C83 WeakPolarHBondContact O-CA 3.12Å; H79-C83 WeakPolarHBondContact O-CB 3.4Å; H79-C83 PolarHBondContact O-N 3.14Å; C83-C88 VanDerWaalsContact SG-CB 3.56Å; C83-C88 VanDerWaalsContact SG-SG 3.63Å; C83-K100 PolarHBondContact O-NZ 3.5Å
84	V	85.7	Confident	87.1	Confident	143 Å²	143	64 Å²	64	87%	0.867	34%	0.339	S	S	*	.			trans	-96	-5.2	174.4	-62	0	0	0	0	113.8	T82 S86	T82-V84 PolarHBondContact O-N 2.92Å; V84-S86 PolarHBondContact O-N 3.08Å
85	R	86.1	Confident	86	Confident	153 Å²	153	63.4 Å²	63.4	58%	0.577	34%	0.341	S	S	*	.			trans	-69.4	123.7	-178.5	-74.6	-177.4	66	150.9	1.4	111.6	D87 C88	R85-D87 VanDerWaalsContact C-N 3.35Å; R85-D87 WeakPolarHBondContact CB-OD1 3.29Å; R85-D87 IonicContact CZ-OD1 3.52Å; R85-D87 IonicContact CZ-OD2 3.73Å; R85-D87 IonicContact NE-OD1 2.91Å; R85-D87 PolarHBondContact NE-OD1 3.35Å; R85-D87 IonicContact NE-OD2 3.89Å; R85-D87 IonicContact NH2-OD1 3.27Å; R85-D87 PolarHBondContact NH2-OD1 2.93Å; R85-D87 IonicContact NH2-OD2 2.75Å; R85-D87 PolarHBondContact NH2-OD2 3.19Å; R85-C88 HydrophobicContact CB-CB 3.98Å; R85-C88 WeakPolarHBondContact O-CB 3.34Å
86	S	80.9	Confident	84.3	Confident	103 Å²	103	63.6 Å²	63.6	72%	0.72	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-31.1	175	51.4	0	0	0	0	112.8	V84 C88	V84-S86 PolarHBondContact O-N 3.08Å; S86-C88 VanDerWaalsContact C-N 3.32Å
87	D	85.3	Confident	82.6	Confident	93 Å²	93	67.4 Å²	67.4	50%	0.497	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.7	179.6	73.2	-29.7	0	0	0	113.6	R85 I89	R85-D87 VanDerWaalsContact C-N 3.35Å; R85-D87 WeakPolarHBondContact CB-OD1 3.29Å; R85-D87 IonicContact CZ-OD1 3.52Å; R85-D87 IonicContact CZ-OD2 3.73Å; R85-D87 IonicContact NE-OD1 2.91Å; R85-D87 PolarHBondContact NE-OD1 3.35Å; R85-D87 IonicContact NE-OD2 3.89Å; R85-D87 IonicContact NH2-OD1 3.27Å; R85-D87 PolarHBondContact NH2-OD1 2.93Å; R85-D87 IonicContact NH2-OD2 2.75Å; R85-D87 PolarHBondContact NH2-OD2 3.19Å; D87-I89 PolarHBondContact O-N 2.71Å; D87-I89 VanDerWaalsContact O-N 3.1Å
88	C	88.6	Confident	80.9	Confident	13 Å²	13	71.8 Å²	71.8	9%	0.088	41%	0.408	C	S	.	.			trans	-67	113.4	-177.6	175.5	0	0	0	0	110.9	H79 C83 R85 S86 V90 C91 S92	H79-C88 VanDerWaalsContact CE1-SG 3.6Å; H79-C88 PolarHBondContact NE2-SG 3.4Å; C83-C88 VanDerWaalsContact SG-CB 3.56Å; C83-C88 VanDerWaalsContact SG-SG 3.63Å; R85-C88 HydrophobicContact CB-CB 3.98Å; R85-C88 WeakPolarHBondContact O-CB 3.34Å; S86-C88 VanDerWaalsContact C-N 3.32Å; C88-V90 PolarHBondContact O-N 3.08Å; C88-C91 HydrophobicContact CB-CB 3.92Å; C88-C91 PolarHBondContact O-N 3Å; C88-C91 VanDerWaalsContact O-N 3.08Å; C88-C91 PolarHBondContact SG-N 2.98Å; C88-C91 VanDerWaalsContact SG-N 3.42Å; C88-S92 WeakPolarHBondContact O-CA 3.38Å; C88-S92 WeakPolarHBondContact O-CB 3.48Å; C88-S92 PolarHBondContact O-N 3.44Å
89	I	88.9	Confident	79.4	Confident	100 Å²	100	70.4 Å²	70.4	51%	0.513	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28	-178.8	65.5	-177.7	0	0	0	114	V12 Q16 D87	V12-I89 HydrophobicContact CG1-CB 4.25Å; V12-I89 HydrophobicContact CG1-CD1 4.09Å; V12-I89 HydrophobicContact CG1-CG1 3.95Å; V12-I89 HydrophobicContact CG2-CD1 3.57Å; V12-I89 HydrophobicContact CG2-CG1 4.27Å; Q16-I89 PolarHBondContact NE2-O 3.34Å; D87-I89 PolarHBondContact O-N 2.71Å; D87-I89 VanDerWaalsContact O-N 3.1Å
90	V	88.4	Confident	77.9	Confident	16 Å²	16	69.3 Å²	69.3	10%	0.097	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-45.2	176.7	172.6	0	0	0	0	111.1	V12 I15 L19 C88	V12-V90 HydrophobicContact CG1-CG2 4.41Å; I15-V90 HydrophobicContact CG2-CB 4.49Å; I15-V90 HydrophobicContact CG2-CG1 3.56Å; I15-V90 HydrophobicContact CG2-CG2 4.06Å; L19-V90 HydrophobicContact CD2-CG1 4Å; C88-V90 PolarHBondContact O-N 3.08Å
91	C	87.9	Confident	76.5	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-34	-173.8	-65.9	0	0	0	0	113.6	H79 W80 C88 L94 N95	H79-C91 PolarHBondContact NE2-SG 3.2Å; H79-C91 VanDerWaalsContact NE2-SG 3.35Å; W80-C91 HydrophobicContact CE3-CB 4.02Å; W80-C91 VanDerWaalsContact CE3-SG 3.57Å; W80-C91 HydrophobicContact CZ3-CB 3.77Å; C88-C91 HydrophobicContact CB-CB 3.92Å; C88-C91 PolarHBondContact O-N 3Å; C88-C91 VanDerWaalsContact O-N 3.08Å; C88-C91 PolarHBondContact SG-N 2.98Å; C88-C91 VanDerWaalsContact SG-N 3.42Å; C91-L94 CarbonylContact O-C 3.54Å; C91-L94 PolarHBondContact O-N 3.44Å; C91-N95 WeakPolarHBondContact O-CB 3.44Å; C91-N95 PolarHBondContact O-N 2.98Å
92	S	84.2	Confident	75.2	Confident	63 Å²	63	76.9 Å²	76.9	44%	0.441	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-49.1	-50	-173	-178.8	0	0	0	0	113.8	C88 L94 N95	C88-S92 WeakPolarHBondContact O-CA 3.38Å; C88-S92 WeakPolarHBondContact O-CB 3.48Å; C88-S92 PolarHBondContact O-N 3.44Å; S92-L94 PolarHBondContact O-N 2.86Å; S92-L94 VanDerWaalsContact O-N 3.17Å; S92-N95 PolarHBondContact O-N 3.32Å
93	P	81	Confident	73.9	Confident	80 Å²	80	74.5 Å²	74.5	52%	0.519	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-68.8	-17	-179.5	28.1	-36.7	0	0	0	114.1	Q16	Q16-P93 HydrophobicContact CG-CG 3.96Å
94	L	78.3	Confident	72.6	Confident	35 Å²	35	80.5 Å²	80.5	18%	0.183	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-103	-3.6	-178.8	-60.1	175.2	0	0	0	112.5	L19 L20 L23 W80 C91 S92 P96	L19-L94 HydrophobicContact CB-CD1 3.83Å; L19-L94 HydrophobicContact CD2-CD1 3.47Å; L19-L94 VanDerWaalsContact CD2-CD1 3.47Å; L19-L94 HydrophobicContact CG-CD1 3.47Å; L19-L94 VanDerWaalsContact CG-CD1 3.47Å; L20-L94 HydrophobicContact CB-CD2 3.98Å; L20-L94 HydrophobicContact CD1-CD2 3.78Å; L20-L94 HydrophobicContact CG-CD2 4.39Å; L23-L94 HydrophobicContact CD1-CD1 4.45Å; W80-L94 HydrophobicContact CH2-CB 3.74Å; W80-L94 WeakPolarHBondContact CH2-O 2.92Å; W80-L94 HydrophobicContact CZ3-CB 3.81Å; C91-L94 CarbonylContact O-C 3.54Å; C91-L94 PolarHBondContact O-N 3.44Å; S92-L94 PolarHBondContact O-N 2.86Å; S92-L94 VanDerWaalsContact O-N 3.17Å; L94-P96 WeakPolarHBondContact O-CD 3.17Å
95	N	68.8	Low	71.2	Confident	49 Å²	49	78.7 Å²	78.7	26%	0.262	43%	0.431	S	S	.	.			trans	-114.4	74.8	-169.7	-172.9	29.4	0	0	0	112.6	W80 C91 S92 A97	W80-N95 HydrophobicContact CH2-CB 4.26Å; C91-N95 WeakPolarHBondContact O-CB 3.44Å; C91-N95 PolarHBondContact O-N 2.98Å; S92-N95 PolarHBondContact O-N 3.32Å; N95-A97 PolarHBondContact O-N 3.47Å
96	P	57.2	Low	69.7	Low	92 Å²	92	75.4 Å²	75.4	60%	0.597	42%	0.423	S	S	*	.			trans	-77	73.9	168.1	32.7	-32.8	0	0	0	109.2	L94 V98	L94-P96 WeakPolarHBondContact O-CD 3.17Å; P96-V98 PolarHBondContact O-N 3.4Å
97	A	54	Low	68.5	Low	95 Å²	95	73.5 Å²	73.5	79%	0.785	40%	0.404	S	S	*	.	S	Bend	trans	49.6	-8.2	162.4	0	0	0	0	0	121.4	N95	N95-A97 PolarHBondContact O-N 3.47Å
98	V	53.2	Low	66.8	Low	103 Å²	103	74.9 Å²	74.9	62%	0.624	41%	0.408	S	S	*	.	S	Bend	trans	-140.4	-5.6	-164.1	179.4	0	0	0	0	114.7	P96	P96-V98 PolarHBondContact O-N 3.4Å
99	N	58.3	Low	64.3	Low	90 Å²	90	77.4 Å²	77.4	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-107.3	-10.3	-168.6	-89.7	-36	0	0	0	117.8	F103	N99-F103 WeakPolarHBondContact O-CB 3.4Å; N99-F103 PolarHBondContact O-N 2.83Å
100	K	60.3	Low	62	Low	41 Å²	41	77 Å²	77	18%	0.178	43%	0.43	C	S	.	.	H	α-helix	trans	-69	-41.8	-179.2	-71.2	-162.8	177.5	-156.9	0	113.2	W80 C83 R104	W80-K100 HydrophobicContact CH2-CG 4.43Å; W80-K100 HydrophobicContact CZ2-CG 3.99Å; W80-K100 PolarHBondContact O-NZ 3.3Å; C83-K100 PolarHBondContact O-NZ 3.5Å; K100-R104 VanDerWaalsContact O-CB 3.29Å; K100-R104 WeakPolarHBondContact O-CB 3.25Å; K100-R104 PolarHBondContact O-N 3.38Å
101	M	58.7	Low	59.7	Low	154 Å²	154	81.9 Å²	81.9	76%	0.759	46%	0.461	S	S	*	.	H	α-helix	trans	-69.5	-42.1	179	-69.2	-157.8	-98.2	0	0	112.1	R104 N105	M101-R104 PolarHBondContact O-N 2.97Å; M101-N105 PolarHBondContact O-N 3.34Å; M101-N105 VanDerWaalsContact O-N 3.12Å; M101-N105 PolarHBondContact O-ND2 3.45Å
102	L	57.2	Low	57.4	Low	98 Å²	98	89.9 Å²	89.9	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-42.5	176.7	-63.7	-178.7	0	0	0	111.8	N105 M106	L102-N105 PolarHBondContact O-N 3.23Å; L102-M106 WeakPolarHBondContact O-CB 3.23Å; L102-M106 PolarHBondContact O-N 3.45Å
103	F	59.5	Low	55.2	Low	29 Å²	29	92.5 Å²	92.5	13%	0.127	51%	0.512	C	S	.	.	H	α-helix	trans	-69.2	-37.8	178.6	-165.4	-109.4	0	0	0	112.2	L23 Q26 Y81 N99 N105 M106 I107	L23-F103 HydrophobicContact CB-CZ 4.34Å; L23-F103 HydrophobicContact CD2-CD1 3.94Å; L23-F103 HydrophobicContact CD2-CE1 3.19Å; L23-F103 HydrophobicContact CD2-CE2 4.34Å; L23-F103 HydrophobicContact CD2-CZ 3.42Å; L23-F103 VanDerWaalsContact CD2-CZ 3.42Å; L23-F103 HydrophobicContact CG-CZ 4.48Å; Q26-F103 HydrophobicContact CB-CZ 3.99Å; Y81-F103 AromaticContact CE1-CD1 3.96Å; Y81-F103 HydrophobicContact CE1-CD1 3.96Å; Y81-F103 HydrophobicContact CE1-CE1 4.2Å; N99-F103 WeakPolarHBondContact O-CB 3.4Å; N99-F103 PolarHBondContact O-N 2.83Å; F103-N105 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 3.04Å; F103-M106 PolarHBondContact O-N 3.49Å; F103-I107 HydrophobicContact CD1-CD1 3.38Å; F103-I107 HydrophobicContact CD2-CD1 3.98Å; F103-I107 HydrophobicContact CE1-CD1 3.04Å; F103-I107 HydrophobicContact CE1-CG1 4.46Å; F103-I107 HydrophobicContact CE2-CD1 3.7Å; F103-I107 HydrophobicContact CG-CD1 3.84Å; F103-I107 HydrophobicContact CZ-CD1 3.25Å; F103-I107 HydrophobicContact CZ-CG1 4.46Å; F103-I107 WeakPolarHBondContact O-CD1 3.46Å; F103-I107 WeakPolarHBondContact O-CG1 3.1Å; F103-I107 PolarHBondContact O-N 3.43Å
104	R	61.3	Low	53.3	Low	140 Å²	140	97.3 Å²	97.3	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-55.9	-44.7	171.8	-178.6	-179.1	170.4	166.6	-2.6	111.4	K100 M101 Q108	K100-R104 VanDerWaalsContact O-CB 3.29Å; K100-R104 WeakPolarHBondContact O-CB 3.25Å; K100-R104 PolarHBondContact O-N 3.38Å; M101-R104 PolarHBondContact O-N 2.97Å; R104-Q108 WeakPolarHBondContact O-CB 3.24Å; R104-Q108 WeakPolarHBondContact O-CG 3.36Å; R104-Q108 PolarHBondContact O-N 2.74Å; R104-Q108 VanDerWaalsContact O-N 3.14Å
105	N	56.6	Low	51.5	Low	105 Å²	105	100.4 Å²	100.4	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-73.1	-34.3	-179.3	-67	-15.8	0	0	0	112.8	M101 L102 F103 I107 S109	M101-N105 PolarHBondContact O-N 3.34Å; M101-N105 VanDerWaalsContact O-N 3.12Å; M101-N105 PolarHBondContact O-ND2 3.45Å; L102-N105 PolarHBondContact O-N 3.23Å; F103-N105 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 3.04Å; N105-I107 VanDerWaalsContact C-N 3.28Å; N105-I107 PolarHBondContact O-N 2.85Å; N105-S109 PolarHBondContact O-OG 2.73Å
106	M	54.5	Low	50.7	Low	84 Å²	84	106.5 Å²	106.5	41%	0.414	58%	0.584	S	S	.	*	H	α-helix	trans	-67.8	-25.9	178.2	-171.6	-176.3	-67.8	0	0	113.1	L102 F103 S109	L102-M106 WeakPolarHBondContact O-CB 3.23Å; L102-M106 PolarHBondContact O-N 3.45Å; F103-M106 PolarHBondContact O-N 3.49Å; M106-S109 PolarHBondContact O-OG 3.38Å
107	I	55.4	Low	50.5	Low	63 Å²	63	108.6 Å²	108.6	32%	0.323	59%	0.59	S	S	.	*	H	α-helix	trans	-101.8	-26.7	-175.6	-65.8	162.8	0	0	0	112.3	Q26 Y81 F103 N105 S109	Q26-I107 HydrophobicContact CB-CD1 4.49Å; Q26-I107 VanDerWaalsContact NE2-CD1 3.33Å; Y81-I107 WeakPolarHBondContact OH-CD1 3.37Å; F103-I107 HydrophobicContact CD1-CD1 3.38Å; F103-I107 HydrophobicContact CD2-CD1 3.98Å; F103-I107 HydrophobicContact CE1-CD1 3.04Å; F103-I107 HydrophobicContact CE1-CG1 4.46Å; F103-I107 HydrophobicContact CE2-CD1 3.7Å; F103-I107 HydrophobicContact CG-CD1 3.84Å; F103-I107 HydrophobicContact CZ-CD1 3.25Å; F103-I107 HydrophobicContact CZ-CG1 4.46Å; F103-I107 WeakPolarHBondContact O-CD1 3.46Å; F103-I107 WeakPolarHBondContact O-CG1 3.1Å; F103-I107 PolarHBondContact O-N 3.43Å; N105-I107 VanDerWaalsContact C-N 3.28Å; N105-I107 PolarHBondContact O-N 2.85Å; I107-S109 PolarHBondContact O-N 3.1Å
108	Q	50.2	Low	50.6	Low	123 Å²	123	109.7 Å²	109.7	58%	0.575	59%	0.589	S	S	*	*	S	Bend	trans	-83.7	3.4	175.1	-69.5	179.2	20.9	0	0	113.3	R104 P110	R104-Q108 WeakPolarHBondContact O-CB 3.24Å; R104-Q108 WeakPolarHBondContact O-CG 3.36Å; R104-Q108 PolarHBondContact O-N 2.74Å; R104-Q108 VanDerWaalsContact O-N 3.14Å; Q108-P110 WeakPolarHBondContact O-CD 3.33Å
109	S	37.3	Very low	50.3	Low	65 Å²	65	111.3 Å²	111.3	46%	0.455	60%	0.599	S	S	.	*			trans	-85.6	99	165.1	12.3	0	0	0	0	108.2	N105 M106 I107	N105-S109 PolarHBondContact O-OG 2.73Å; M106-S109 PolarHBondContact O-OG 3.38Å; I107-S109 PolarHBondContact O-N 3.1Å
110	P	40.3	Very low	49.8	Very low	92 Å²	92	110.3 Å²	110.3	60%	0.597	60%	0.603	S	S	*	*			trans	-53.7	156.5	154.8	26	-32.5	0	0	0	107.5	Q108 Q112	Q108-P110 WeakPolarHBondContact O-CD 3.33Å; P110-Q112 VanDerWaalsContact C-N 3.29Å; P110-Q112 PolarHBondContact O-N 3.41Å
111	P	39.5	Very low	49.3	Very low	118 Å²	118	116.9 Å²	116.9	77%	0.766	64%	0.636	S	S	*	*			trans	-53.9	108.7	164.6	25.3	-30	0	0	0	105	T113	P111-T113 PolarHBondContact O-N 3.06Å
112	Q	38.9	Very low	49.5	Very low	169 Å²	169	115.9 Å²	115.9	79%	0.79	64%	0.639	S	S	*	*			trans	-64.3	92.3	165.5	-70.8	-175.8	-5	0	0	102.6	P110 M114	P110-Q112 VanDerWaalsContact C-N 3.29Å; P110-Q112 PolarHBondContact O-N 3.41Å; Q112-M114 PolarHBondContact O-N 2.93Å
113	T	38.3	Very low	49.2	Very low	117 Å²	117	116.9 Å²	116.9	72%	0.718	65%	0.651	S	S	*	*			trans	-47.6	113.7	161	54.8	0	0	0	0	103.4	P111 S115	P111-T113 PolarHBondContact O-N 3.06Å; T113-S115 PolarHBondContact O-N 2.67Å
114	M	41	Very low	49.1	Very low	181 Å²	181	121.9 Å²	121.9	89%	0.892	68%	0.679	S	S	*	*			trans	-59.4	92.2	173.7	-70.8	-157.7	131.3	0	0	106.2	Q112 M116	Q112-M114 PolarHBondContact O-N 2.93Å; M114-M116 PolarHBondContact O-N 2.93Å
115	S	40.1	Very low	48.5	Very low	100 Å²	100	122.7 Å²	122.7	70%	0.699	69%	0.689	S	S	*	*			trans	-70.7	90.5	171.1	-177.7	0	0	0	0	104.5	T113 N117	T113-S115 PolarHBondContact O-N 2.67Å; S115-N117 VanDerWaalsContact C-N 3.28Å; S115-N117 PolarHBondContact O-N 3.05Å
116	M	52.6	Low	48.4	Very low	178 Å²	178	126.2 Å²	126.2	88%	0.877	70%	0.702	S	S	*	*			trans	-57.2	98.8	166.6	-71.9	158.5	75.6	0	0	106.5	M114 P118	M114-M116 PolarHBondContact O-N 2.93Å; M116-P118 WeakPolarHBondContact O-CD 3.43Å
117	N	52.6	Low	48.3	Very low	136 Å²	136	129 Å²	129	73%	0.727	72%	0.719	S	S	*	*			trans	-90.6	109.6	172.6	-155.9	12.2	0	0	0	106.1	S115 V119	S115-N117 VanDerWaalsContact C-N 3.28Å; S115-N117 PolarHBondContact O-N 3.05Å; N117-V119 PolarHBondContact O-N 2.88Å
118	P	57	Low	47.6	Very low	118 Å²	118	131.3 Å²	131.3	77%	0.766	74%	0.738	S	S	*	*			trans	-75.2	100	171.2	22.1	-13.4	0	0	0	107.7	M116 A120	M116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-A120 PolarHBondContact O-N 3.28Å
119	V	47.4	Very low	47.2	Very low	136 Å²	136	133.6 Å²	133.6	82%	0.824	75%	0.749	S	S	*	*			trans	-55.8	117.5	153.3	156.6	0	0	0	0	107.5	N117	N117-V119 PolarHBondContact O-N 2.88Å
120	A	46.4	Very low	47.5	Very low	69 Å²	69	146.4 Å²	146.4	57%	0.57	79%	0.787	S	S	*	*				152.1	147.9	127.4	0	0	0	0	0	112	P118	P118-A120 PolarHBondContact O-N 3.28Å
121	M	51.2	Low	47.9	Very low	179 Å²	179	149.2 Å²	149.2	88%	0.882	80%	0.797	S	S	*	*			trans	85.7	116.9	160.3	-47.1	-172.2	172	0	0	113.8
122	V	63.2	Low	48.3	Very low	133 Å²	133	150.8 Å²	150.8	81%	0.806	80%	0.798	S	S	*	*			cis	-163.2	148.5	21.4	172.3	0	0	0	0	108.3
123	P	50.9	Low	48.9	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	80%	0.799	S	S	*	*			trans	-91.7	141.4	170.3	34.4	-27.7	0	0	0	112
124	N	55.7	Low	49.5	Very low	133 Å²	133	151.7 Å²	151.7	71%	0.711	80%	0.803	S	S	*	*			trans	-162.3	145.4	137.4	-162.5	40.5	0	0	0	111
125	E	49.4	Very low	50	Low	158 Å²	158	149.9 Å²	149.9	74%	0.738	80%	0.798	S	S	*	*			trans	-48.1	155.9	174.4	-62.3	162.1	79.2	0	0	111.5
126	E	54.7	Low	50.7	Low	178 Å²	178	153.2 Å²	153.2	83%	0.832	81%	0.805	S	S	*	*				-177.3	137.5	76	-77.9	174.4	107	0	0	110.8
127	N	53.1	Low	50.5	Low	143 Å²	143	151.4 Å²	151.4	77%	0.765	80%	0.799	S	S	*	*			trans	86.7	114.8	143.3	-154.1	23	0	0	0	122
128	P	40	Very low	50.4	Low	111 Å²	111	152.6 Å²	152.6	72%	0.721	81%	0.805	S	S	*	*			trans	-102	137	165	35.8	-24.4	0	0	0	112.2
129	Q	40.9	Very low	49.8	Very low	172 Å²	172	155.5 Å²	155.5	80%	0.804	81%	0.808	S	S	*	*			trans	-170.4	99.5	153.2	-110.2	-177.8	-89.5	0	0	110.3
130	W	45.2	Very low	50.1	Low	334 Å²	334	157.3 Å²	157.3	100%	1.265	81%	0.807	S	S	*	*			trans	-166.3	0	138.2	-75.3	110.5	0	0	0	108.5

Retrieved 130 of 130 residues in 413.4 ms (Link to these results)

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