A0A077Z6R1_TRITR Loading...

ATP dependent DNA helicase

AlphaFold DB , UniProt , Accession A0A077Z6R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 aa.

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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	41.9	Very low	38.8	Very low	232 Å²	232	140 Å²	140	100%	1.143	80%	0.795	S	S	*	*				0	87.6	0	-83.9	166	71.9	0	0	106.2
2	T	39.7	Very low	39	Very low	132 Å²	132	140 Å²	140	81%	0.81	78%	0.783	S	S	*	*				58.2	83.3	106.5	25.8	0	0	0	0	113.4	A4	T2-A4 PolarHBondContact O-N 2.81Å
3	T	33.1	Very low	39.5	Very low	137 Å²	137	133.9 Å²	133.9	84%	0.84	75%	0.746	S	S	*	*			trans	14	83.6	142	-45.7	0	0	0	0	117.3
4	A	41.1	Very low	39.8	Very low	80 Å²	80	132.4 Å²	132.4	66%	0.661	75%	0.747	S	S	*	*			trans	-138	56.3	148.4	0	0	0	0	0	107.8	T2 T6	T2-A4 PolarHBondContact O-N 2.81Å; A4-T6 PolarHBondContact O-N 2.65Å; A4-T6 VanDerWaalsContact O-N 3.15Å
5	E	37.8	Very low	40	Very low	182 Å²	182	131 Å²	131	85%	0.85	75%	0.749	S	S	*	*			trans	-74.9	47.5	152	-69.3	177.7	92.6	0	0	109.2	D7	E5-D7 VanDerWaalsContact C-N 3.3Å; E5-D7 PolarHBondContact O-N 3.24Å
6	T	36.8	Very low	40.1	Very low	110 Å²	110	126.9 Å²	126.9	68%	0.675	73%	0.727	S	S	*	*			trans	-89.1	81.8	156.1	46.8	0	0	0	0	103.6	A4 L8	A4-T6 PolarHBondContact O-N 2.65Å; A4-T6 VanDerWaalsContact O-N 3.15Å; T6-L8 PolarHBondContact O-N 3.44Å
7	D	41.9	Very low	40.8	Very low	108 Å²	108	125.2 Å²	125.2	58%	0.578	72%	0.715	S	S	*	*				51	27.9	87.3	-154.3	-122.6	0	0	0	112.8	E5 T10	E5-D7 VanDerWaalsContact C-N 3.3Å; E5-D7 PolarHBondContact O-N 3.24Å; D7-T10 WeakPolarHBondContact OD2-CB 3.22Å; D7-T10 PolarHBondContact OD2-OG1 2.76Å; D7-T10 VanDerWaalsContact OD2-OG1 3.14Å
8	L	42.4	Very low	41.5	Very low	167 Å²	167	124.4 Å²	124.4	87%	0.874	71%	0.707	S	S	*	*	S	Bend	trans	-95	-14.1	171.2	-161.8	66.1	0	0	0	111.9	T6	T6-L8 PolarHBondContact O-N 3.44Å
9	A	41.8	Very low	42.4	Very low	105 Å²	105	121.7 Å²	121.7	87%	0.868	69%	0.694	S	S	*	*	S	Bend	trans	-109	-9.8	-177.3	0	0	0	0	0	114.2
10	T	36.6	Very low	43.2	Very low	108 Å²	108	121.1 Å²	121.1	66%	0.663	69%	0.685	S	S	*	*	S	Bend	trans	-85.1	-24.2	-175.5	-42	0	0	0	0	112.4	D7 H12	D7-T10 WeakPolarHBondContact OD2-CB 3.22Å; D7-T10 PolarHBondContact OD2-OG1 2.76Å; D7-T10 VanDerWaalsContact OD2-OG1 3.14Å; T10-H12 PolarHBondContact O-N 3.27Å
11	F	33.5	Very low	44	Very low	179 Å²	179	118 Å²	118	79%	0.785	66%	0.662	S	S	*	*	S	Bend	trans	-90.6	84.8	-168.8	-145.6	-101.8	0	0	0	111
12	H	41.8	Very low	45	Very low	140 Å²	140	112.1 Å²	112.1	65%	0.648	63%	0.632	S	S	*	*				56.9	75.5	128.7	-160.1	-92.4	0	0	0	115.7	T10	T10-H12 PolarHBondContact O-N 3.27Å
13	M	45.7	Very low	46.3	Very low	61 Å²	61	110.4 Å²	110.4	30%	0.3	62%	0.615	S	S	.	*			trans	-160.8	109.7	141.4	-101.9	140.5	83.6	0	0	112.4	T82 A85 E86 E89	M13-T82 WeakPolarHBondContact CE-O 3.33Å; M13-A85 VanDerWaalsContact CE-CA 3.5Å; M13-A85 HydrophobicContact CE-CB 3.07Å; M13-E86 HydrophobicContact CE-CB 4.42Å; M13-E86 HydrophobicContact CE-CG 3.71Å; M13-E86 HydrophobicContact SD-CG 3.78Å; M13-E89 VanDerWaalsContact CE-OE2 3.25Å; M13-E89 WeakPolarHBondContact CE-OE2 3.34Å; M13-E89 WeakPolarHBondContact CG-OE2 3.21Å
14	C	43.8	Very low	47.9	Very low	112 Å²	112	105.4 Å²	105.4	76%	0.757	59%	0.588	S	S	*	*			trans	54.8	126.4	167.2	-142.7	0	0	0	0	116.3	V16	C14-V16 HydrophobicContact CB-CG2 4.31Å; C14-V16 PolarHBondContact O-N 3.27Å
15	S	41.6	Very low	49.2	Very low	112 Å²	112	102.3 Å²	102.3	78%	0.783	56%	0.559	S	S	*	*			trans	-65.3	38.8	175.1	-50.3	0	0	0	0	114.4	N17	S15-N17 PolarHBondContact O-N 3.02Å
16	V	42.7	Very low	50.7	Low	65 Å²	65	101 Å²	101	39%	0.394	55%	0.547	S	S	.	.			trans	-62.2	88.7	155.9	-167	0	0	0	0	105.3	C14 L18 Q20 W21	C14-V16 HydrophobicContact CB-CG2 4.31Å; C14-V16 PolarHBondContact O-N 3.27Å; V16-L18 PolarHBondContact O-N 3.04Å; V16-L18 VanDerWaalsContact O-N 3.17Å; V16-Q20 HydrophobicContact CG1-CB 3.98Å; V16-W21 VanDerWaalsContact CG1-CD1 3.43Å; V16-W21 HydrophobicContact CG1-CG 4.29Å
17	N	50.7	Low	52.4	Low	98 Å²	98	97.1 Å²	97.1	52%	0.524	53%	0.528	S	S	.	.			trans	-37.4	128.6	173.2	-96.6	-87.8	0	0	0	107.7	S15 T19 Q20 W21	S15-N17 PolarHBondContact O-N 3.02Å; N17-T19 CarbonylContact O-C 3.59Å; N17-T19 PolarHBondContact O-N 3.35Å; N17-Q20 HydrophobicContact CB-CG 4.33Å; N17-Q20 WeakPolarHBondContact O-CA 2.96Å; N17-Q20 WeakPolarHBondContact O-CB 3.26Å; N17-Q20 PolarHBondContact O-N 3.28Å; N17-W21 PolarHBondContact O-N 2.94Å
18	L	54	Low	53.9	Low	111 Å²	111	93 Å²	93	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-43	-33.4	167.7	-171.6	74.1	0	0	0	110.4	V16 W21 E22 F74	V16-L18 PolarHBondContact O-N 3.04Å; V16-L18 VanDerWaalsContact O-N 3.17Å; L18-W21 CarbonylContact O-C 3.49Å; L18-W21 WeakPolarHBondContact O-CA 2.87Å; L18-W21 VanDerWaalsContact O-CB 3.29Å; L18-W21 WeakPolarHBondContact O-CB 3.35Å; L18-W21 PolarHBondContact O-N 2.68Å; L18-W21 VanDerWaalsContact O-N 3.14Å; L18-E22 WeakPolarHBondContact O-CG 3.39Å; L18-E22 PolarHBondContact O-N 2.99Å; L18-F74 HydrophobicContact CD1-CZ 4Å
19	T	58.3	Low	55.7	Low	74 Å²	74	86 Å²	86	45%	0.454	47%	0.469	S	S	.	.	H	α-helix	trans	-57.6	-48.2	171.1	-39.4	0	0	0	0	114.6	N17 W21 E22 E23	N17-T19 CarbonylContact O-C 3.59Å; N17-T19 PolarHBondContact O-N 3.35Å; T19-W21 PolarHBondContact O-N 2.87Å; T19-E22 PolarHBondContact O-N 3.21Å; T19-E23 WeakPolarHBondContact O-CG 3.43Å; T19-E23 PolarHBondContact O-N 2.86Å
20	Q	58.6	Low	57.2	Low	109 Å²	109	86.6 Å²	86.6	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-33.7	174.6	-74.7	-172.9	95.8	0	0	111.1	V16 N17 E23 A24	V16-Q20 HydrophobicContact CG1-CB 3.98Å; N17-Q20 HydrophobicContact CB-CG 4.33Å; N17-Q20 WeakPolarHBondContact O-CA 2.96Å; N17-Q20 WeakPolarHBondContact O-CB 3.26Å; N17-Q20 PolarHBondContact O-N 3.28Å; Q20-E23 PolarHBondContact O-N 3.12Å; Q20-A24 WeakPolarHBondContact O-CB 3.18Å; Q20-A24 PolarHBondContact O-N 2.93Å
21	W	60.2	Low	59	Low	56 Å²	56	86 Å²	86	21%	0.212	46%	0.455	C	S	.	.	H	α-helix	trans	-69	-45.5	174.8	-94.4	114.1	0	0	0	112.5	V16 N17 L18 T19 E23 A24 F25 F81	V16-W21 VanDerWaalsContact CG1-CD1 3.43Å; V16-W21 HydrophobicContact CG1-CG 4.29Å; N17-W21 PolarHBondContact O-N 2.94Å; L18-W21 CarbonylContact O-C 3.49Å; L18-W21 WeakPolarHBondContact O-CA 2.87Å; L18-W21 VanDerWaalsContact O-CB 3.29Å; L18-W21 WeakPolarHBondContact O-CB 3.35Å; L18-W21 PolarHBondContact O-N 2.68Å; L18-W21 VanDerWaalsContact O-N 3.14Å; T19-W21 PolarHBondContact O-N 2.87Å; W21-E23 PolarHBondContact O-N 2.95Å; W21-A24 HydrophobicContact CE3-CB 4.15Å; W21-A24 PolarHBondContact O-N 3.13Å; W21-A24 VanDerWaalsContact O-N 3.12Å; W21-F25 HydrophobicContact CD2-CD2 4.33Å; W21-F25 HydrophobicContact CD2-CE2 4.11Å; W21-F25 AromaticContact CE3-CD2 3.28Å; W21-F25 HydrophobicContact CE3-CD2 3.28Å; W21-F25 AromaticContact CE3-CE2 3.1Å; W21-F25 HydrophobicContact CE3-CE2 3.1Å; W21-F25 HydrophobicContact CE3-CG 4.49Å; W21-F25 HydrophobicContact CE3-CZ 4.23Å; W21-F25 HydrophobicContact CH2-CE2 4.37Å; W21-F25 AromaticContact CZ3-CD2 3.74Å; W21-F25 HydrophobicContact CZ3-CD2 3.74Å; W21-F25 AromaticContact CZ3-CE2 3.23Å; W21-F25 HydrophobicContact CZ3-CE2 3.23Å; W21-F25 AromaticContact CZ3-CZ 3.96Å; W21-F25 HydrophobicContact CZ3-CZ 3.96Å; W21-F25 WeakPolarHBondContact O-CB 3.29Å; W21-F25 WeakPolarHBondContact O-CD2 3.45Å; W21-F25 PolarHBondContact O-N 3.5Å; W21-F81 HydrophobicContact CH2-CB 3.81Å; W21-F81 AromaticContact CH2-CD1 3.35Å; W21-F81 HydrophobicContact CH2-CD1 3.35Å; W21-F81 AromaticContact CH2-CD2 3.15Å; W21-F81 HydrophobicContact CH2-CD2 3.15Å; W21-F81 AromaticContact CH2-CE1 3.56Å; W21-F81 HydrophobicContact CH2-CE1 3.56Å; W21-F81 AromaticContact CH2-CE2 3.38Å; W21-F81 HydrophobicContact CH2-CE2 3.38Å; W21-F81 AromaticContact CH2-CG 3.12Å; W21-F81 HydrophobicContact CH2-CG 3.12Å; W21-F81 AromaticContact CH2-CZ 3.57Å; W21-F81 HydrophobicContact CH2-CZ 3.57Å; W21-F81 HydrophobicContact CZ2-CB 3.48Å; W21-F81 VanDerWaalsContact CZ2-CB 3.48Å; W21-F81 AromaticContact CZ2-CD1 3.66Å; W21-F81 HydrophobicContact CZ2-CD1 3.66Å; W21-F81 AromaticContact CZ2-CD2 3.78Å; W21-F81 HydrophobicContact CZ2-CD2 3.78Å; W21-F81 HydrophobicContact CZ2-CE1 4.31Å; W21-F81 HydrophobicContact CZ2-CE2 4.41Å; W21-F81 AromaticContact CZ2-CG 3.35Å; W21-F81 HydrophobicContact CZ2-CG 3.35Å; W21-F81 AromaticContact CZ3-CD2 3.78Å; W21-F81 HydrophobicContact CZ3-CD2 3.78Å; W21-F81 AromaticContact CZ3-CE2 3.75Å; W21-F81 HydrophobicContact CZ3-CE2 3.75Å; W21-F81 HydrophobicContact CZ3-CG 4.18Å; W21-F81 HydrophobicContact CZ3-CZ 4.14Å
22	E	63.5	Low	60.9	Low	108 Å²	108	80.5 Å²	80.5	51%	0.505	45%	0.449	S	S	.	.	H	α-helix	trans	-54.7	-37.3	170.8	-70.9	177.7	103.4	0	0	110.7	L18 T19 R26	L18-E22 WeakPolarHBondContact O-CG 3.39Å; L18-E22 PolarHBondContact O-N 2.99Å; T19-E22 PolarHBondContact O-N 3.21Å; E22-R26 WeakPolarHBondContact O-CB 2.94Å; E22-R26 PolarHBondContact O-N 3.17Å
23	E	67.2	Low	62.5	Low	97 Å²	97	77.4 Å²	77.4	45%	0.453	44%	0.44	S	S	.	.	H	α-helix	trans	-74.4	-39	176.2	-66.1	-157.3	96.7	0	0	113.9	T19 Q20 W21 R26 G27	T19-E23 WeakPolarHBondContact O-CG 3.43Å; T19-E23 PolarHBondContact O-N 2.86Å; Q20-E23 PolarHBondContact O-N 3.12Å; W21-E23 PolarHBondContact O-N 2.95Å; E23-R26 IonicContact OE1-CZ 2.94Å; E23-R26 IonicContact OE1-NH2 2.68Å; E23-R26 PolarHBondContact OE1-NH2 3.37Å; E23-G27 PolarHBondContact O-N 3.01Å
24	A	65.9	Low	64	Low	32 Å²	32	76.5 Å²	76.5	26%	0.264	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-49.8	175.4	0	0	0	0	0	110.4	Q20 W21 G27 L28 R44	Q20-A24 WeakPolarHBondContact O-CB 3.18Å; Q20-A24 PolarHBondContact O-N 2.93Å; W21-A24 HydrophobicContact CE3-CB 4.15Å; W21-A24 PolarHBondContact O-N 3.13Å; W21-A24 VanDerWaalsContact O-N 3.12Å; A24-G27 CarbonylContact O-C 3.52Å; A24-G27 PolarHBondContact O-N 3.43Å; A24-L28 PolarHBondContact O-N 3.46Å; A24-R44 PolarHBondContact O-NH2 3.21Å
25	F	67.7	Low	65.8	Low	14 Å²	14	72.1 Å²	72.1	6%	0.061	42%	0.416	C	S	.	.	H	α-helix	trans	-63.4	-46.8	175.5	-89.2	-78.8	0	0	0	112.8	W21 G27 L28 D29 V36 F74 L77 F81	W21-F25 HydrophobicContact CD2-CD2 4.33Å; W21-F25 HydrophobicContact CD2-CE2 4.11Å; W21-F25 AromaticContact CE3-CD2 3.28Å; W21-F25 HydrophobicContact CE3-CD2 3.28Å; W21-F25 AromaticContact CE3-CE2 3.1Å; W21-F25 HydrophobicContact CE3-CE2 3.1Å; W21-F25 HydrophobicContact CE3-CG 4.49Å; W21-F25 HydrophobicContact CE3-CZ 4.23Å; W21-F25 HydrophobicContact CH2-CE2 4.37Å; W21-F25 AromaticContact CZ3-CD2 3.74Å; W21-F25 HydrophobicContact CZ3-CD2 3.74Å; W21-F25 AromaticContact CZ3-CE2 3.23Å; W21-F25 HydrophobicContact CZ3-CE2 3.23Å; W21-F25 AromaticContact CZ3-CZ 3.96Å; W21-F25 HydrophobicContact CZ3-CZ 3.96Å; W21-F25 WeakPolarHBondContact O-CB 3.29Å; W21-F25 WeakPolarHBondContact O-CD2 3.45Å; W21-F25 PolarHBondContact O-N 3.5Å; F25-G27 PolarHBondContact O-N 2.91Å; F25-G27 VanDerWaalsContact O-N 3.13Å; F25-L28 HydrophobicContact CD1-CD1 4.45Å; F25-L28 CarbonylContact O-C 3.43Å; F25-L28 WeakPolarHBondContact O-CA 3.41Å; F25-L28 WeakPolarHBondContact O-CB 3.01Å; F25-L28 PolarHBondContact O-N 3.06Å; F25-D29 WeakPolarHBondContact O-CB 3.32Å; F25-D29 PolarHBondContact O-N 3.03Å; F25-V36 HydrophobicContact CD1-CG2 3.54Å; F25-V36 HydrophobicContact CE1-CG2 3.65Å; F25-F74 HydrophobicContact CB-CD2 4.37Å; F25-F74 HydrophobicContact CD1-CD2 4.06Å; F25-F74 AromaticContact CD2-CD2 3.36Å; F25-F74 HydrophobicContact CD2-CD2 3.36Å; F25-F74 AromaticContact CD2-CE2 3.41Å; F25-F74 HydrophobicContact CD2-CE2 3.41Å; F25-F74 VanDerWaalsContact CD2-CE2 3.41Å; F25-F74 HydrophobicContact CE1-CD2 4.18Å; F25-F74 AromaticContact CE2-CD2 3.51Å; F25-F74 HydrophobicContact CE2-CD2 3.51Å; F25-F74 AromaticContact CE2-CE2 3.63Å; F25-F74 HydrophobicContact CE2-CE2 3.63Å; F25-F74 AromaticContact CG-CD2 3.68Å; F25-F74 HydrophobicContact CG-CD2 3.68Å; F25-F74 HydrophobicContact CG-CE2 4.12Å; F25-F74 AromaticContact CZ-CD2 3.95Å; F25-F74 HydrophobicContact CZ-CD2 3.95Å; F25-F74 HydrophobicContact CZ-CE2 4.48Å; F25-L77 HydrophobicContact CE1-CB 4.15Å; F25-L77 HydrophobicContact CE1-CD1 3.39Å; F25-L77 HydrophobicContact CE1-CG 4.41Å; F25-L77 HydrophobicContact CZ-CB 3.63Å; F25-L77 HydrophobicContact CZ-CD1 3.67Å; F25-L77 HydrophobicContact CZ-CG 4.3Å; F25-F81 HydrophobicContact CZ-CE2 4.38Å
26	R	71.1	Confident	67.8	Low	156 Å²	156	66.9 Å²	66.9	59%	0.589	38%	0.379	S	S	*	.	H	α-helix	trans	-59.3	-28.1	175.3	-175.2	-177.4	73	-144.6	-2.9	112	E22 E23	E22-R26 WeakPolarHBondContact O-CB 2.94Å; E22-R26 PolarHBondContact O-N 3.17Å; E23-R26 IonicContact OE1-CZ 2.94Å; E23-R26 IonicContact OE1-NH2 2.68Å; E23-R26 PolarHBondContact OE1-NH2 3.37Å
27	G	71.9	Confident	69.8	Low	28 Å²	28	65.6 Å²	65.6	29%	0.289	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.1	172.8	0	0	0	0	0	115	E23 A24 F25 R44	E23-G27 PolarHBondContact O-N 3.01Å; A24-G27 CarbonylContact O-C 3.52Å; A24-G27 PolarHBondContact O-N 3.43Å; F25-G27 PolarHBondContact O-N 2.91Å; F25-G27 VanDerWaalsContact O-N 3.13Å; G27-R44 PolarHBondContact O-NE 3.24Å; G27-R44 VanDerWaalsContact O-NE 3.09Å
28	L	73.6	Confident	71.5	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.115	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-59.3	164.4	-79.9	150.5	0	0	0	108.6	A24 F25 T30 V36 D40 I41 R44	A24-L28 PolarHBondContact O-N 3.46Å; F25-L28 HydrophobicContact CD1-CD1 4.45Å; F25-L28 CarbonylContact O-C 3.43Å; F25-L28 WeakPolarHBondContact O-CA 3.41Å; F25-L28 WeakPolarHBondContact O-CB 3.01Å; F25-L28 PolarHBondContact O-N 3.06Å; L28-T30 VanDerWaalsContact C-N 3.3Å; L28-T30 PolarHBondContact O-N 3Å; L28-V36 HydrophobicContact CB-CG1 4.2Å; L28-V36 HydrophobicContact CB-CG2 4.23Å; L28-V36 HydrophobicContact CD2-CG1 4.2Å; L28-D40 WeakPolarHBondContact CD2-O 3.06Å; L28-I41 HydrophobicContact CD2-CG1 4.48Å; L28-R44 HydrophobicContact CD1-CG 4.48Å; L28-R44 HydrophobicContact CD2-CB 3.58Å; L28-R44 HydrophobicContact CD2-CG 3.22Å; L28-R44 HydrophobicContact CG-CB 4.38Å; L28-R44 HydrophobicContact CG-CG 3.53Å
29	D	80.2	Confident	72.9	Confident	18 Å²	18	65 Å²	65	10%	0.096	36%	0.356	C	S	.	.			trans	-79.4	65.3	178.9	-179	-117.3	0	0	0	111.2	F25 N31 G32 T33 G34 V36	F25-D29 WeakPolarHBondContact O-CB 3.32Å; F25-D29 PolarHBondContact O-N 3.03Å; D29-N31 PolarHBondContact O-N 2.89Å; D29-N31 PolarHBondContact OD2-OD1 2.96Å; D29-G32 PolarHBondContact O-N 2.97Å; D29-G32 VanDerWaalsContact O-N 3.08Å; D29-G32 WeakPolarHBondContact OD1-CA 3.41Å; D29-G32 PolarHBondContact OD1-N 2.72Å; D29-T33 VanDerWaalsContact CG-N 3.34Å; D29-T33 PolarHBondContact OD1-N 3.12Å; D29-T33 WeakPolarHBondContact OD2-CA 3.49Å; D29-T33 PolarHBondContact OD2-N 3.11Å; D29-T33 PolarHBondContact OD2-OG1 3.15Å; D29-G34 VanDerWaalsContact CG-N 3.32Å; D29-G34 PolarHBondContact OD1-N 2.93Å; D29-G34 PolarHBondContact OD2-N 3.3Å; D29-G34 VanDerWaalsContact OD2-N 3.16Å; D29-V36 HydrophobicContact CB-CG2 4.4Å
30	T	71.9	Confident	74.1	Confident	119 Å²	119	62.8 Å²	62.8	73%	0.73	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.2	-179.7	56.9	0	0	0	0	114.1	L28	L28-T30 VanDerWaalsContact C-N 3.3Å; L28-T30 PolarHBondContact O-N 3Å
31	N	75.6	Confident	75	Confident	94 Å²	94	59 Å²	59	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.6	174.3	58	-14.2	0	0	0	113	D29 T33	D29-N31 PolarHBondContact O-N 2.89Å; D29-N31 PolarHBondContact OD2-OD1 2.96Å; N31-T33 VanDerWaalsContact C-N 3.28Å; N31-T33 HydrophobicContact CB-CG2 4.19Å; N31-T33 WeakPolarHBondContact ND2-CG2 3.11Å; N31-T33 PolarHBondContact ND2-OG1 3.14Å; N31-T33 PolarHBondContact O-N 3.44Å; N31-T33 PolarHBondContact OD1-OG1 3.34Å
32	G	72.1	Confident	76.2	Confident	64 Å²	64	57.4 Å²	57.4	66%	0.66	32%	0.322	S	S	*	.			trans	66.6	29.2	178.4	0	0	0	0	0	113.1	D29 G34	D29-G32 PolarHBondContact O-N 2.97Å; D29-G32 VanDerWaalsContact O-N 3.08Å; D29-G32 WeakPolarHBondContact OD1-CA 3.41Å; D29-G32 PolarHBondContact OD1-N 2.72Å; G32-G34 VanDerWaalsContact C-N 3.32Å
33	T	76.3	Confident	77.1	Confident	76 Å²	76	56.1 Å²	56.1	47%	0.466	32%	0.321	S	S	.	.			trans	-79	-19	-179.9	49.3	0	0	0	0	112.8	D29 N31 V35	D29-T33 VanDerWaalsContact CG-N 3.34Å; D29-T33 PolarHBondContact OD1-N 3.12Å; D29-T33 WeakPolarHBondContact OD2-CA 3.49Å; D29-T33 PolarHBondContact OD2-N 3.11Å; D29-T33 PolarHBondContact OD2-OG1 3.15Å; N31-T33 VanDerWaalsContact C-N 3.28Å; N31-T33 HydrophobicContact CB-CG2 4.19Å; N31-T33 WeakPolarHBondContact ND2-CG2 3.11Å; N31-T33 PolarHBondContact ND2-OG1 3.14Å; N31-T33 PolarHBondContact O-N 3.44Å; N31-T33 PolarHBondContact OD1-OG1 3.34Å; T33-V35 PolarHBondContact O-N 3.46Å; T33-V35 WeakPolarHBondContact OG1-CG2 3.43Å; T33-V35 PolarHBondContact OG1-O 2.81Å
34	G	76.7	Confident	77.5	Confident	42 Å²	42	55.3 Å²	55.3	43%	0.433	31%	0.314	S	S	.	.	S	Bend	trans	77	-0.3	-172.8	0	0	0	0	0	113.7	D29 G32 F74	D29-G34 VanDerWaalsContact CG-N 3.32Å; D29-G34 PolarHBondContact OD1-N 2.93Å; D29-G34 PolarHBondContact OD2-N 3.3Å; D29-G34 VanDerWaalsContact OD2-N 3.16Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G34-F74 PolarHBondContact O-N 2.88Å
35	V	82.7	Confident	78.1	Confident	19 Å²	19	56.7 Å²	56.7	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.4	176.1	-62.1	0	0	0	0	109.4	T33 E71 V72	T33-V35 PolarHBondContact O-N 3.46Å; T33-V35 WeakPolarHBondContact OG1-CG2 3.43Å; T33-V35 PolarHBondContact OG1-O 2.81Å; V35-E71 HydrophobicContact CB-CB 4.23Å; V35-E71 HydrophobicContact CG2-CB 4.34Å; V35-V72 CarbonylContact C-O 3.38Å; V35-V72 WeakPolarHBondContact CA-O 3.5Å
36	V	83.3	Confident	78.7	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.1	179.6	-177.6	0	0	0	0	108.1	F25 L28 D29 D40 I41 V72 L77	F25-V36 HydrophobicContact CD1-CG2 3.54Å; F25-V36 HydrophobicContact CE1-CG2 3.65Å; L28-V36 HydrophobicContact CB-CG1 4.2Å; L28-V36 HydrophobicContact CB-CG2 4.23Å; L28-V36 HydrophobicContact CD2-CG1 4.2Å; D29-V36 HydrophobicContact CB-CG2 4.4Å; V36-D40 HydrophobicContact CG1-CB 3.82Å; V36-I41 HydrophobicContact CG1-CD1 4.25Å; V36-I41 HydrophobicContact CG1-CG1 3.56Å; V36-V72 PolarHBondContact N-O 2.81Å; V36-V72 WeakPolarHBondContact O-CG2 3.32Å; V36-V72 PolarHBondContact O-N 2.67Å; V36-V72 VanDerWaalsContact O-N 3.09Å; V36-L77 HydrophobicContact CB-CD1 4.02Å; V36-L77 HydrophobicContact CG2-CD1 4.25Å
37	T	85.5	Confident	78.8	Confident	39 Å²	39	65.2 Å²	65.2	24%	0.239	36%	0.356	C	S	.	.			trans	-88.7	158.4	174.7	70	0	0	0	0	110.1	R39 D40 I41 E71	T37-R39 PolarHBondContact O-N 2.92Å; T37-R39 PolarHBondContact OG1-N 3.41Å; T37-D40 WeakPolarHBondContact CB-OD2 3.11Å; T37-D40 PolarHBondContact N-OD2 3.42Å; T37-D40 WeakPolarHBondContact O-CB 3.31Å; T37-D40 PolarHBondContact O-N 3.31Å; T37-D40 PolarHBondContact OG1-N 3.27Å; T37-D40 PolarHBondContact OG1-OD2 2.95Å; T37-I41 PolarHBondContact O-N 2.95Å; T37-I41 VanDerWaalsContact O-N 3.09Å; T37-E71 HydrophobicContact CG2-CB 4.19Å
38	P	84.8	Confident	78.9	Confident	12 Å²	12	69.7 Å²	69.7	8%	0.078	37%	0.373	C	S	.	.	H	α-helix	trans	-57.1	-24	173.7	24.1	-35.1	0	0	0	111.6	S42 I54 L57 A58 V61 E70	P38-S42 VanDerWaalsContact O-CB 3.29Å; P38-S42 WeakPolarHBondContact O-CB 3.41Å; P38-S42 PolarHBondContact O-N 3.12Å; P38-I54 HydrophobicContact CB-CD1 4.06Å; P38-I54 HydrophobicContact CG-CD1 4.41Å; P38-L57 HydrophobicContact CB-CB 3.68Å; P38-L57 VanDerWaalsContact O-CD1 3.3Å; P38-L57 WeakPolarHBondContact O-CD1 3.08Å; P38-A58 HydrophobicContact CB-CB 4.35Å; P38-A58 HydrophobicContact CG-CB 4.23Å; P38-V61 HydrophobicContact CB-CG2 4.15Å; P38-E70 WeakPolarHBondContact CD-O 3.38Å
39	R	84.8	Confident	79.1	Confident	185 Å²	185	71.7 Å²	71.7	70%	0.698	40%	0.398	S	S	*	.	H	α-helix	trans	-70.7	-39.4	173.7	-169.4	175.9	174	-158.2	-3.1	112.1	T37 S42 V43 I54	T37-R39 PolarHBondContact O-N 2.92Å; T37-R39 PolarHBondContact OG1-N 3.41Å; R39-S42 WeakPolarHBondContact CA-OG 3.35Å; R39-S42 WeakPolarHBondContact O-CB 3.43Å; R39-S42 PolarHBondContact O-N 2.85Å; R39-S42 PolarHBondContact O-OG 3.48Å; R39-V43 WeakPolarHBondContact O-CG2 3.22Å; R39-V43 PolarHBondContact O-N 2.72Å; R39-I54 HydrophobicContact CB-CD1 4.28Å
40	D	83.8	Confident	78.8	Confident	26 Å²	26	75 Å²	75	14%	0.139	42%	0.415	C	S	.	.	H	α-helix	trans	-65.8	-43	175	-59.9	-53.2	0	0	0	110.7	L28 V36 T37 S42 V43 R44	L28-D40 WeakPolarHBondContact CD2-O 3.06Å; V36-D40 HydrophobicContact CG1-CB 3.82Å; T37-D40 WeakPolarHBondContact CB-OD2 3.11Å; T37-D40 PolarHBondContact N-OD2 3.42Å; T37-D40 WeakPolarHBondContact O-CB 3.31Å; T37-D40 PolarHBondContact O-N 3.31Å; T37-D40 PolarHBondContact OG1-N 3.27Å; T37-D40 PolarHBondContact OG1-OD2 2.95Å; D40-S42 PolarHBondContact O-N 3.38Å; D40-V43 PolarHBondContact O-N 3.19Å; D40-R44 PolarHBondContact O-N 2.79Å
41	I	77.2	Confident	79.1	Confident	29 Å²	29	75.3 Å²	75.3	15%	0.149	42%	0.419	C	S	.	.	H	α-helix	trans	-58.8	-41.4	171.4	-54.1	175.4	0	0	0	109.9	L28 V36 T37 V43 R44 M45 L57 V61	L28-I41 HydrophobicContact CD2-CG1 4.48Å; V36-I41 HydrophobicContact CG1-CD1 4.25Å; V36-I41 HydrophobicContact CG1-CG1 3.56Å; T37-I41 PolarHBondContact O-N 2.95Å; T37-I41 VanDerWaalsContact O-N 3.09Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 2.94Å; I41-R44 PolarHBondContact O-N 2.97Å; I41-R44 VanDerWaalsContact O-N 3.12Å; I41-M45 HydrophobicContact CG2-CE 4.43Å; I41-M45 HydrophobicContact CG2-CG 4.31Å; I41-M45 HydrophobicContact CG2-SD 4.22Å; I41-M45 PolarHBondContact O-N 3.45Å; I41-L57 HydrophobicContact CB-CD1 4.23Å; I41-L57 HydrophobicContact CB-CD2 4.37Å; I41-L57 HydrophobicContact CG2-CD1 4.17Å; I41-L57 HydrophobicContact CG2-CD2 3.65Å; I41-V61 HydrophobicContact CD1-CG2 3.58Å
42	S	84.4	Confident	79	Confident	23 Å²	23	73.8 Å²	73.8	16%	0.161	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-41.6	179.6	83.2	0	0	0	0	112	P38 R39 D40 R44 M45 M46 H52	P38-S42 VanDerWaalsContact O-CB 3.29Å; P38-S42 WeakPolarHBondContact O-CB 3.41Å; P38-S42 PolarHBondContact O-N 3.12Å; R39-S42 WeakPolarHBondContact CA-OG 3.35Å; R39-S42 WeakPolarHBondContact O-CB 3.43Å; R39-S42 PolarHBondContact O-N 2.85Å; R39-S42 PolarHBondContact O-OG 3.48Å; D40-S42 PolarHBondContact O-N 3.38Å; S42-R44 VanDerWaalsContact C-N 3.29Å; S42-R44 PolarHBondContact O-N 3.38Å; S42-M45 PolarHBondContact O-N 2.99Å; S42-M46 WeakPolarHBondContact O-CB 3.4Å; S42-M46 PolarHBondContact O-N 3.39Å; S42-H52 WeakPolarHBondContact CA-NE2 3.24Å; S42-H52 PolarHBondContact O-CE1 3.17Å; S42-H52 PolarHBondContact O-NE2 3.11Å
43	V	82.8	Confident	79.7	Confident	81 Å²	81	72.7 Å²	72.7	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-39.3	177.3	170.8	0	0	0	0	110.6	R39 D40 I41 R47	R39-V43 WeakPolarHBondContact O-CG2 3.22Å; R39-V43 PolarHBondContact O-N 2.72Å; D40-V43 PolarHBondContact O-N 3.19Å; I41-V43 VanDerWaalsContact C-N 3.33Å; I41-V43 PolarHBondContact O-N 2.94Å; V43-R47 WeakPolarHBondContact O-CG 3.47Å; V43-R47 PolarHBondContact O-N 3Å
44	R	76.5	Confident	80	Confident	81 Å²	81	73 Å²	73	31%	0.306	39%	0.389	S	S	.	.	H	α-helix	trans	-70.7	-49.2	177.6	-90.6	-60.2	-174.9	144.2	6.6	113.5	A24 G27 L28 D40 I41 S42 M46 R47 L48	A24-R44 PolarHBondContact O-NH2 3.21Å; G27-R44 PolarHBondContact O-NE 3.24Å; G27-R44 VanDerWaalsContact O-NE 3.09Å; L28-R44 HydrophobicContact CD1-CG 4.48Å; L28-R44 HydrophobicContact CD2-CB 3.58Å; L28-R44 HydrophobicContact CD2-CG 3.22Å; L28-R44 HydrophobicContact CG-CB 4.38Å; L28-R44 HydrophobicContact CG-CG 3.53Å; D40-R44 PolarHBondContact O-N 2.79Å; I41-R44 PolarHBondContact O-N 2.97Å; I41-R44 VanDerWaalsContact O-N 3.12Å; S42-R44 VanDerWaalsContact C-N 3.29Å; S42-R44 PolarHBondContact O-N 3.38Å; R44-M46 PolarHBondContact O-N 3.23Å; R44-R47 CarbonylContact O-C 3.51Å; R44-R47 WeakPolarHBondContact O-CA 3.45Å; R44-R47 VanDerWaalsContact O-CB 3.31Å; R44-R47 WeakPolarHBondContact O-CB 3.35Å; R44-R47 PolarHBondContact O-N 3Å; R44-L48 PolarHBondContact O-N 3.46Å
45	M	78.6	Confident	80.5	Confident	61 Å²	61	76.9 Å²	76.9	30%	0.3	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-30.8	179	-82.2	-170.4	169.7	0	0	111.9	I41 S42 R47 L48 G49 I50 H52 L57	I41-M45 HydrophobicContact CG2-CE 4.43Å; I41-M45 HydrophobicContact CG2-CG 4.31Å; I41-M45 HydrophobicContact CG2-SD 4.22Å; I41-M45 PolarHBondContact O-N 3.45Å; S42-M45 PolarHBondContact O-N 2.99Å; M45-R47 VanDerWaalsContact C-N 3.3Å; M45-R47 PolarHBondContact O-N 3.35Å; M45-L48 CarbonylContact O-C 3.58Å; M45-L48 PolarHBondContact O-N 3.38Å; M45-L48 VanDerWaalsContact O-N 3.13Å; M45-G49 PolarHBondContact O-N 3.03Å; M45-I50 PolarHBondContact O-N 2.95Å; M45-I50 VanDerWaalsContact O-N 3.11Å; M45-H52 WeakPolarHBondContact CB-CD2 3.44Å; M45-H52 WeakPolarHBondContact CB-NE2 3.32Å; M45-H52 HydrophobicContact SD-CB 4.29Å; M45-H52 VanDerWaalsContact SD-CD2 3.57Å; M45-L57 HydrophobicContact CE-CD2 4.31Å; M45-L57 HydrophobicContact SD-CD2 3.75Å
46	M	78.5	Confident	80.6	Confident	151 Å²	151	81.1 Å²	81.1	74%	0.744	42%	0.422	S	S	*	.	H	α-helix	trans	-61.8	-37.6	169.1	-173.8	-177.5	-169.7	0	0	111.8	S42 R44 G49 H52	S42-M46 WeakPolarHBondContact O-CB 3.4Å; S42-M46 PolarHBondContact O-N 3.39Å; R44-M46 PolarHBondContact O-N 3.23Å; M46-G49 PolarHBondContact O-N 3.44Å; M46-H52 PolarHBondContact N-NE2 2.99Å
47	R	74.2	Confident	80.6	Confident	197 Å²	197	81.6 Å²	81.6	74%	0.743	42%	0.424	S	S	*	.	H	α-helix	trans	-70.5	-30.1	173.7	-75.2	-179.1	162.7	-160	-2.9	113.2	V43 R44 M45	V43-R47 WeakPolarHBondContact O-CG 3.47Å; V43-R47 PolarHBondContact O-N 3Å; R44-R47 CarbonylContact O-C 3.51Å; R44-R47 WeakPolarHBondContact O-CA 3.45Å; R44-R47 VanDerWaalsContact O-CB 3.31Å; R44-R47 WeakPolarHBondContact O-CB 3.35Å; R44-R47 PolarHBondContact O-N 3Å; M45-R47 VanDerWaalsContact C-N 3.3Å; M45-R47 PolarHBondContact O-N 3.35Å
48	L	74.3	Confident	80.6	Confident	123 Å²	123	80.5 Å²	80.5	64%	0.644	42%	0.419	S	S	*	.	H	α-helix	trans	-76.7	-11.7	173.8	-62.9	177.6	0	0	0	112.3	R44 M45 I50	R44-L48 PolarHBondContact O-N 3.46Å; M45-L48 CarbonylContact O-C 3.58Å; M45-L48 PolarHBondContact O-N 3.38Å; M45-L48 VanDerWaalsContact O-N 3.13Å; L48-I50 VanDerWaalsContact C-N 3.25Å; L48-I50 HydrophobicContact CB-CD1 4.01Å; L48-I50 HydrophobicContact CB-CG1 4.05Å; L48-I50 HydrophobicContact CD1-CD1 4.22Å; L48-I50 PolarHBondContact O-N 2.86Å
49	G	77.2	Confident	80.5	Confident	64 Å²	64	85.3 Å²	85.3	66%	0.66	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	15.7	-177.9	0	0	0	0	0	113.4	M45 M46	M45-G49 PolarHBondContact O-N 3.03Å; M46-G49 PolarHBondContact O-N 3.44Å
50	I	73.4	Confident	80.1	Confident	88 Å²	88	78.5 Å²	78.5	45%	0.451	42%	0.422	S	S	.	.			trans	-87.2	119.6	177.2	-56.7	171.1	0	0	0	107.3	M45 L48 H52	M45-I50 PolarHBondContact O-N 2.95Å; M45-I50 VanDerWaalsContact O-N 3.11Å; L48-I50 VanDerWaalsContact C-N 3.25Å; L48-I50 HydrophobicContact CB-CD1 4.01Å; L48-I50 HydrophobicContact CB-CG1 4.05Å; L48-I50 HydrophobicContact CD1-CD1 4.22Å; L48-I50 PolarHBondContact O-N 2.86Å; I50-H52 PolarHBondContact O-N 3.09Å
51	P	78.2	Confident	80	Confident	125 Å²	125	77.3 Å²	77.3	81%	0.812	42%	0.416	S	S	*	.			trans	-68.9	129.4	175.4	29.2	-33	0	0	0	109.5
52	H	74.6	Confident	80.2	Confident	62 Å²	62	81.4 Å²	81.4	29%	0.287	43%	0.43	S	S	.	.			trans	-138.6	165.8	175.7	52.3	17.8	0	0	0	109.6	S42 M45 M46 I50 L57	S42-H52 WeakPolarHBondContact CA-NE2 3.24Å; S42-H52 PolarHBondContact O-CE1 3.17Å; S42-H52 PolarHBondContact O-NE2 3.11Å; M45-H52 WeakPolarHBondContact CB-CD2 3.44Å; M45-H52 WeakPolarHBondContact CB-NE2 3.32Å; M45-H52 HydrophobicContact SD-CB 4.29Å; M45-H52 VanDerWaalsContact SD-CD2 3.57Å; M46-H52 PolarHBondContact N-NE2 2.99Å; I50-H52 PolarHBondContact O-N 3.09Å; H52-L57 HydrophobicContact CB-CD1 4.43Å; H52-L57 HydrophobicContact CB-CG 4.43Å
53	S	85.3	Confident	80.1	Confident	41 Å²	41	86.2 Å²	86.2	29%	0.287	45%	0.449	S	S	.	.			trans	-110.8	151.1	161.8	87.2	0	0	0	0	109.9	D55 D56 L57	S53-D55 PolarHBondContact O-N 3.12Å; S53-D55 PolarHBondContact OG-N 2.66Å; S53-D56 VanDerWaalsContact CB-OD2 3.26Å; S53-D56 WeakPolarHBondContact CB-OD2 3.29Å; S53-D56 PolarHBondContact O-N 2.86Å; S53-D56 VanDerWaalsContact OG-CG 3.22Å; S53-D56 PolarHBondContact OG-N 3.01Å; S53-D56 PolarHBondContact OG-OD2 2.84Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 2.91Å; S53-L57 VanDerWaalsContact O-N 3.16Å
54	I	84	Confident	79.7	Confident	83 Å²	83	84.2 Å²	84.2	43%	0.426	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-31	174.3	-169.9	64.8	0	0	0	111.1	P38 R39 L57 A58	P38-I54 HydrophobicContact CB-CD1 4.06Å; P38-I54 HydrophobicContact CG-CD1 4.41Å; R39-I54 HydrophobicContact CB-CD1 4.28Å; I54-L57 PolarHBondContact O-N 2.82Å; I54-A58 VanDerWaalsContact O-CB 3.24Å; I54-A58 WeakPolarHBondContact O-CB 3.19Å; I54-A58 PolarHBondContact O-N 3.12Å
55	D	86.8	Confident	79.8	Confident	122 Å²	122	81.4 Å²	81.4	65%	0.652	43%	0.429	S	S	*	.	H	α-helix	trans	-68.6	-42.4	177.4	-67.5	-86.1	0	0	0	112.1	S53 L57 A58 F59	S53-D55 PolarHBondContact O-N 3.12Å; S53-D55 PolarHBondContact OG-N 2.66Å; D55-L57 VanDerWaalsContact C-N 3.33Å; D55-L57 PolarHBondContact O-N 3.26Å; D55-A58 PolarHBondContact O-N 3.23Å; D55-F59 WeakPolarHBondContact O-CB 3.41Å; D55-F59 PolarHBondContact O-N 3.42Å
56	D	84.4	Confident	79.7	Confident	108 Å²	108	81.7 Å²	81.7	58%	0.578	45%	0.448	S	S	*	.	H	α-helix	trans	-63.1	-41.5	175.5	-66	-61.7	0	0	0	110.9	S53 F59 A60	S53-D56 VanDerWaalsContact CB-OD2 3.26Å; S53-D56 WeakPolarHBondContact CB-OD2 3.29Å; S53-D56 PolarHBondContact O-N 2.86Å; S53-D56 VanDerWaalsContact OG-CG 3.22Å; S53-D56 PolarHBondContact OG-N 3.01Å; S53-D56 PolarHBondContact OG-OD2 2.84Å; D56-F59 PolarHBondContact O-N 2.92Å; D56-A60 PolarHBondContact O-N 2.93Å
57	L	83.9	Confident	79.8	Confident	13 Å²	13	79.8 Å²	79.8	7%	0.068	44%	0.441	C	S	.	.	H	α-helix	trans	-67.5	-41	175.6	-66.8	178	0	0	0	112.1	P38 I41 M45 H52 S53 I54 D55 F59 A60 V61	P38-L57 HydrophobicContact CB-CB 3.68Å; P38-L57 VanDerWaalsContact O-CD1 3.3Å; P38-L57 WeakPolarHBondContact O-CD1 3.08Å; I41-L57 HydrophobicContact CB-CD1 4.23Å; I41-L57 HydrophobicContact CB-CD2 4.37Å; I41-L57 HydrophobicContact CG2-CD1 4.17Å; I41-L57 HydrophobicContact CG2-CD2 3.65Å; M45-L57 HydrophobicContact CE-CD2 4.31Å; M45-L57 HydrophobicContact SD-CD2 3.75Å; H52-L57 HydrophobicContact CB-CD1 4.43Å; H52-L57 HydrophobicContact CB-CG 4.43Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 2.91Å; S53-L57 VanDerWaalsContact O-N 3.16Å; I54-L57 PolarHBondContact O-N 2.82Å; D55-L57 VanDerWaalsContact C-N 3.33Å; D55-L57 PolarHBondContact O-N 3.26Å; L57-F59 VanDerWaalsContact C-N 3.27Å; L57-F59 PolarHBondContact O-N 2.7Å; L57-A60 PolarHBondContact O-N 3.25Å; L57-V61 WeakPolarHBondContact O-CB 3.43Å; L57-V61 VanDerWaalsContact O-CG2 3.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 3.23Å
58	A	84.7	Confident	79.8	Confident	15 Å²	15	72.3 Å²	72.3	12%	0.124	43%	0.425	C	S	.	.	H	α-helix	trans	-65	-35	176.4	0	0	0	0	0	111.4	P38 I54 D55 R62	P38-A58 HydrophobicContact CB-CB 4.35Å; P38-A58 HydrophobicContact CG-CB 4.23Å; I54-A58 VanDerWaalsContact O-CB 3.24Å; I54-A58 WeakPolarHBondContact O-CB 3.19Å; I54-A58 PolarHBondContact O-N 3.12Å; D55-A58 PolarHBondContact O-N 3.23Å; A58-R62 WeakPolarHBondContact O-CB 3.01Å; A58-R62 PolarHBondContact O-N 3.46Å
59	F	83.9	Confident	80	Confident	113 Å²	113	68.3 Å²	68.3	50%	0.496	41%	0.408	S	S	.	.	H	α-helix	trans	-65	-51.3	172.2	-175.3	-96.1	0	0	0	110.7	D55 D56 L57 V61 R62 E63	D55-F59 WeakPolarHBondContact O-CB 3.41Å; D55-F59 PolarHBondContact O-N 3.42Å; D56-F59 PolarHBondContact O-N 2.92Å; L57-F59 VanDerWaalsContact C-N 3.27Å; L57-F59 PolarHBondContact O-N 2.7Å; F59-V61 PolarHBondContact O-N 3.14Å; F59-R62 WeakPolarHBondContact O-CB 3.2Å; F59-R62 PolarHBondContact O-N 3.24Å; F59-E63 HydrophobicContact CD1-CG 4.01Å; F59-E63 HydrophobicContact CE1-CG 3.61Å; F59-E63 HydrophobicContact CE2-CG 4.24Å; F59-E63 HydrophobicContact CG-CG 4.48Å; F59-E63 HydrophobicContact CZ-CG 3.73Å; F59-E63 WeakPolarHBondContact O-CG 3.27Å; F59-E63 PolarHBondContact O-N 3.16Å
60	A	76.5	Confident	80.1	Confident	42 Å²	42	72.2 Å²	72.2	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-56.8	-50	178	0	0	0	0	0	111.9	D56 L57 R62 E63 I64	D56-A60 PolarHBondContact O-N 2.93Å; L57-A60 PolarHBondContact O-N 3.25Å; A60-R62 VanDerWaalsContact C-N 3.31Å; A60-R62 PolarHBondContact O-N 2.96Å; A60-E63 PolarHBondContact O-N 3.49Å; A60-I64 WeakPolarHBondContact O-CD1 3.12Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 2.82Å; A60-I64 VanDerWaalsContact O-N 3.08Å
61	V	79.9	Confident	80.5	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.006	41%	0.409	C	S	.	.	H	α-helix	trans	-58	-43.9	177.5	169.2	0	0	0	0	111.5	P38 I41 L57 F59 I64 A65 V72	P38-V61 HydrophobicContact CB-CG2 4.15Å; I41-V61 HydrophobicContact CD1-CG2 3.58Å; L57-V61 WeakPolarHBondContact O-CB 3.43Å; L57-V61 VanDerWaalsContact O-CG2 3.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 3.23Å; F59-V61 PolarHBondContact O-N 3.14Å; V61-I64 PolarHBondContact O-N 3.39Å; V61-A65 WeakPolarHBondContact O-CB 2.78Å; V61-A65 PolarHBondContact O-N 3.16Å; V61-V72 HydrophobicContact CG1-CB 4.42Å; V61-V72 HydrophobicContact CG1-CG1 3.77Å; V61-V72 HydrophobicContact CG1-CG2 4.02Å; V61-V72 HydrophobicContact CG2-CG2 4.25Å
62	R	83.4	Confident	80.8	Confident	116 Å²	116	66.8 Å²	66.8	44%	0.438	37%	0.37	S	S	.	.	H	α-helix	trans	-65	-43.6	-179.8	-172.3	-170	-50.9	160.8	11.5	112.8	A58 F59 A60 I64 A65 G66	A58-R62 WeakPolarHBondContact O-CB 3.01Å; A58-R62 PolarHBondContact O-N 3.46Å; F59-R62 WeakPolarHBondContact O-CB 3.2Å; F59-R62 PolarHBondContact O-N 3.24Å; A60-R62 VanDerWaalsContact C-N 3.31Å; A60-R62 PolarHBondContact O-N 2.96Å; R62-I64 PolarHBondContact O-N 3.16Å; R62-A65 PolarHBondContact O-N 2.84Å; R62-G66 PolarHBondContact O-N 3.36Å
63	E	81	Confident	81	Confident	124 Å²	124	67.7 Å²	67.7	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-61.2	-38.4	177	-70.9	-63.9	100.1	0	0	110.7	F59 A60	F59-E63 HydrophobicContact CD1-CG 4.01Å; F59-E63 HydrophobicContact CE1-CG 3.61Å; F59-E63 HydrophobicContact CE2-CG 4.24Å; F59-E63 HydrophobicContact CG-CG 4.48Å; F59-E63 HydrophobicContact CZ-CG 3.73Å; F59-E63 WeakPolarHBondContact O-CG 3.27Å; F59-E63 PolarHBondContact O-N 3.16Å; A60-E63 PolarHBondContact O-N 3.49Å
64	I	74.4	Confident	80.2	Confident	39 Å²	39	68.9 Å²	68.9	20%	0.2	38%	0.377	C	S	.	.	H	α-helix	trans	-73.5	-45	179.8	-62.9	158.1	0	0	0	111.9	A60 V61 R62 G66 V72 T76 L77 L80	A60-I64 WeakPolarHBondContact O-CD1 3.12Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 2.82Å; A60-I64 VanDerWaalsContact O-N 3.08Å; V61-I64 PolarHBondContact O-N 3.39Å; R62-I64 PolarHBondContact O-N 3.16Å; I64-G66 PolarHBondContact O-N 3.06Å; I64-V72 HydrophobicContact CB-CG1 4.34Å; I64-V72 HydrophobicContact CG2-CG1 4.16Å; I64-T76 HydrophobicContact CG2-CG2 4.05Å; I64-T76 WeakPolarHBondContact CG2-O 3.48Å; I64-L77 HydrophobicContact CD1-CD2 4.21Å; I64-L80 HydrophobicContact CD1-CB 4.1Å; I64-L80 HydrophobicContact CD1-CD1 3.41Å; I64-L80 VanDerWaalsContact CD1-CD1 3.41Å; I64-L80 HydrophobicContact CD1-CD2 3.26Å; I64-L80 HydrophobicContact CD1-CG 3.69Å; I64-L80 HydrophobicContact CG1-CB 4.48Å; I64-L80 HydrophobicContact CG1-CD1 3.6Å; I64-L80 HydrophobicContact CG1-CD2 4.36Å; I64-L80 HydrophobicContact CG1-CG 4.3Å
65	A	79.2	Confident	79.7	Confident	21 Å²	21	71.1 Å²	71.1	17%	0.174	39%	0.39	C	S	.	.	H	α-helix	trans	-62.8	-34.3	178.9	0	0	0	0	0	110.7	V61 R62 D67 V72	V61-A65 WeakPolarHBondContact O-CB 2.78Å; V61-A65 PolarHBondContact O-N 3.16Å; R62-A65 PolarHBondContact O-N 2.84Å; A65-D67 VanDerWaalsContact CB-OD1 3.22Å; A65-D67 WeakPolarHBondContact CB-OD1 3.26Å; A65-D67 PolarHBondContact O-N 3.19Å; A65-D67 VanDerWaalsContact O-OD1 3.14Å; A65-V72 HydrophobicContact CB-CG1 3.82Å
66	G	76.2	Confident	79.1	Confident	67 Å²	67	67.2 Å²	67.2	69%	0.691	37%	0.371	S	S	*	.	S	Bend	trans	69.7	-19	176	0	0	0	0	0	114.2	R62 I64	R62-G66 PolarHBondContact O-N 3.36Å; I64-G66 PolarHBondContact O-N 3.06Å
67	D	80	Confident	78.5	Confident	112 Å²	112	62.3 Å²	62.3	60%	0.599	35%	0.345	S	S	*	.	S	Bend	trans	-94.4	-0.2	174.5	74.8	-58.7	0	0	0	112.8	A65 S69	A65-D67 VanDerWaalsContact CB-OD1 3.22Å; A65-D67 WeakPolarHBondContact CB-OD1 3.26Å; A65-D67 PolarHBondContact O-N 3.19Å; A65-D67 VanDerWaalsContact O-OD1 3.14Å; D67-S69 VanDerWaalsContact OD1-CB 3.29Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 2.81Å; D67-S69 PolarHBondContact OD1-OG 3.25Å; D67-S69 WeakPolarHBondContact OD2-CB 2.94Å; D67-S69 PolarHBondContact OD2-OG 3.45Å
68	G	74.2	Confident	77.7	Confident	40 Å²	40	64.6 Å²	64.6	41%	0.412	36%	0.356	S	S	.	.			trans	84.7	9.3	-174.6	0	0	0	0	0	113.8
69	S	79.3	Confident	76.5	Confident	39 Å²	39	67.2 Å²	67.2	27%	0.273	37%	0.372	S	S	.	.			trans	-64.4	139.2	178.1	-82.7	0	0	0	0	111.8	D67 E71	D67-S69 VanDerWaalsContact OD1-CB 3.29Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 2.81Å; D67-S69 PolarHBondContact OD1-OG 3.25Å; D67-S69 WeakPolarHBondContact OD2-CB 2.94Å; D67-S69 PolarHBondContact OD2-OG 3.45Å; S69-E71 WeakPolarHBondContact CB-O 3.44Å
70	E	78.8	Confident	75.1	Confident	145 Å²	145	64.7 Å²	64.7	68%	0.678	36%	0.364	S	S	*	.	S	Bend	trans	-85.4	4.6	173.6	-59.9	-179.3	96.7	0	0	111.5	P38	P38-E70 WeakPolarHBondContact CD-O 3.38Å
71	E	83.1	Confident	74.2	Confident	99 Å²	99	66.5 Å²	66.5	46%	0.463	36%	0.363	S	S	.	.			trans	-138.2	140.7	-179.5	55.9	-174.4	72.1	0	0	108.6	V35 T37 S69	V35-E71 HydrophobicContact CB-CB 4.23Å; V35-E71 HydrophobicContact CG2-CB 4.34Å; T37-E71 HydrophobicContact CG2-CB 4.19Å; S69-E71 WeakPolarHBondContact CB-O 3.44Å
72	V	83	Confident	72.8	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.4	-178.9	-81.4	0	0	0	0	109.7	V35 V36 V61 I64 A65 T76 L77	V35-V72 CarbonylContact C-O 3.38Å; V35-V72 WeakPolarHBondContact CA-O 3.5Å; V36-V72 PolarHBondContact N-O 2.81Å; V36-V72 WeakPolarHBondContact O-CG2 3.32Å; V36-V72 PolarHBondContact O-N 2.67Å; V36-V72 VanDerWaalsContact O-N 3.09Å; V61-V72 HydrophobicContact CG1-CB 4.42Å; V61-V72 HydrophobicContact CG1-CG1 3.77Å; V61-V72 HydrophobicContact CG1-CG2 4.02Å; V61-V72 HydrophobicContact CG2-CG2 4.25Å; I64-V72 HydrophobicContact CB-CG1 4.34Å; I64-V72 HydrophobicContact CG2-CG1 4.16Å; A65-V72 HydrophobicContact CB-CG1 3.82Å; V72-T76 HydrophobicContact CG1-CG2 4.42Å; V72-L77 HydrophobicContact CB-CD1 4.28Å; V72-L77 HydrophobicContact CB-CD2 4.47Å; V72-L77 HydrophobicContact CB-CG 3.95Å; V72-L77 HydrophobicContact CG2-CD1 3.45Å; V72-L77 VanDerWaalsContact CG2-CD1 3.45Å; V72-L77 HydrophobicContact CG2-CD2 3.82Å; V72-L77 HydrophobicContact CG2-CG 3.51Å
73	D	78.3	Confident	71.1	Confident	81 Å²	81	71.6 Å²	71.6	43%	0.433	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	157.6	176.4	-32.3	-96.9	0	0	0	110.8	N75 T76 L77	D73-N75 PolarHBondContact O-N 3.37Å; D73-N75 VanDerWaalsContact O-N 3.15Å; D73-T76 PolarHBondContact O-N 3Å; D73-T76 PolarHBondContact OD2-OG1 3.28Å; D73-T76 VanDerWaalsContact OD2-OG1 3.06Å; D73-L77 PolarHBondContact O-N 3.31Å
74	F	70.2	Confident	69.3	Low	66 Å²	66	71.1 Å²	71.1	29%	0.289	39%	0.389	S	S	.	.	H	α-helix	trans	-46.6	-45.5	172	175.6	-104	0	0	0	112.6	L18 F25 G34 T76 L77 I78	L18-F74 HydrophobicContact CD1-CZ 4Å; F25-F74 HydrophobicContact CB-CD2 4.37Å; F25-F74 HydrophobicContact CD1-CD2 4.06Å; F25-F74 AromaticContact CD2-CD2 3.36Å; F25-F74 HydrophobicContact CD2-CD2 3.36Å; F25-F74 AromaticContact CD2-CE2 3.41Å; F25-F74 HydrophobicContact CD2-CE2 3.41Å; F25-F74 VanDerWaalsContact CD2-CE2 3.41Å; F25-F74 HydrophobicContact CE1-CD2 4.18Å; F25-F74 AromaticContact CE2-CD2 3.51Å; F25-F74 HydrophobicContact CE2-CD2 3.51Å; F25-F74 AromaticContact CE2-CE2 3.63Å; F25-F74 HydrophobicContact CE2-CE2 3.63Å; F25-F74 AromaticContact CG-CD2 3.68Å; F25-F74 HydrophobicContact CG-CD2 3.68Å; F25-F74 HydrophobicContact CG-CE2 4.12Å; F25-F74 AromaticContact CZ-CD2 3.95Å; F25-F74 HydrophobicContact CZ-CD2 3.95Å; F25-F74 HydrophobicContact CZ-CE2 4.48Å; G34-F74 PolarHBondContact O-N 2.88Å; F74-T76 VanDerWaalsContact C-N 3.26Å; F74-T76 PolarHBondContact O-N 3.25Å; F74-L77 PolarHBondContact O-N 3.49Å; F74-I78 HydrophobicContact CD1-CD1 4.29Å; F74-I78 HydrophobicContact CD2-CD1 4.42Å; F74-I78 HydrophobicContact CE1-CD1 3.82Å; F74-I78 HydrophobicContact CE1-CG1 4.48Å; F74-I78 HydrophobicContact CE2-CD1 3.96Å; F74-I78 HydrophobicContact CZ-CD1 3.64Å; F74-I78 WeakPolarHBondContact O-CG1 3.46Å; F74-I78 PolarHBondContact O-N 3.11Å
75	N	72.7	Confident	67.7	Low	131 Å²	131	71 Å²	71	70%	0.701	39%	0.393	S	S	*	.	H	α-helix	trans	-67	-29.4	-177.3	-161.1	47.4	0	0	0	112.8	D73	D73-N75 PolarHBondContact O-N 3.37Å; D73-N75 VanDerWaalsContact O-N 3.15Å
76	T	74.8	Confident	65.8	Low	40 Å²	40	74.3 Å²	74.3	25%	0.245	41%	0.405	C	S	.	.	H	α-helix	trans	-83.1	-26.2	-178.7	-47.3	0	0	0	0	111.1	I64 V72 D73 F74 P79	I64-T76 HydrophobicContact CG2-CG2 4.05Å; I64-T76 WeakPolarHBondContact CG2-O 3.48Å; V72-T76 HydrophobicContact CG1-CG2 4.42Å; D73-T76 PolarHBondContact O-N 3Å; D73-T76 PolarHBondContact OD2-OG1 3.28Å; D73-T76 VanDerWaalsContact OD2-OG1 3.06Å; F74-T76 VanDerWaalsContact C-N 3.26Å; F74-T76 PolarHBondContact O-N 3.25Å; T76-P79 VanDerWaalsContact O-CD 3.3Å; T76-P79 WeakPolarHBondContact O-CD 3.48Å; T76-P79 VanDerWaalsContact O-CG 3.26Å; T76-P79 WeakPolarHBondContact O-CG 3.26Å
77	L	70.5	Confident	64.2	Low	4 Å²	4	73.8 Å²	73.8	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-83.1	-18.9	174.6	-82.7	172	0	0	0	114.7	F25 V36 I64 V72 D73 F74 L80 F81	F25-L77 HydrophobicContact CE1-CB 4.15Å; F25-L77 HydrophobicContact CE1-CD1 3.39Å; F25-L77 HydrophobicContact CE1-CG 4.41Å; F25-L77 HydrophobicContact CZ-CB 3.63Å; F25-L77 HydrophobicContact CZ-CD1 3.67Å; F25-L77 HydrophobicContact CZ-CG 4.3Å; V36-L77 HydrophobicContact CB-CD1 4.02Å; V36-L77 HydrophobicContact CG2-CD1 4.25Å; I64-L77 HydrophobicContact CD1-CD2 4.21Å; V72-L77 HydrophobicContact CB-CD1 4.28Å; V72-L77 HydrophobicContact CB-CD2 4.47Å; V72-L77 HydrophobicContact CB-CG 3.95Å; V72-L77 HydrophobicContact CG2-CD1 3.45Å; V72-L77 VanDerWaalsContact CG2-CD1 3.45Å; V72-L77 HydrophobicContact CG2-CD2 3.82Å; V72-L77 HydrophobicContact CG2-CG 3.51Å; D73-L77 PolarHBondContact O-N 3.31Å; F74-L77 PolarHBondContact O-N 3.49Å; L77-L80 HydrophobicContact CD2-CB 4.33Å; L77-L80 HydrophobicContact CD2-CD2 3.91Å; L77-L80 WeakPolarHBondContact O-CB 3.02Å; L77-L80 PolarHBondContact O-N 3.38Å; L77-L80 VanDerWaalsContact O-N 3.13Å; L77-F81 HydrophobicContact CB-CD2 4.46Å; L77-F81 HydrophobicContact CB-CE2 4.4Å; L77-F81 HydrophobicContact CD2-CE2 4.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.25Å; L77-F81 PolarHBondContact O-N 2.53Å
78	I	67.6	Low	62.4	Low	62 Å²	62	74.5 Å²	74.5	32%	0.318	39%	0.394	S	S	.	.	H	α-helix	trans	-48.4	-55.3	174.3	-58.5	-53.1	0	0	0	111.9	F74 L80 F81 T82	F74-I78 HydrophobicContact CD1-CD1 4.29Å; F74-I78 HydrophobicContact CD2-CD1 4.42Å; F74-I78 HydrophobicContact CE1-CD1 3.82Å; F74-I78 HydrophobicContact CE1-CG1 4.48Å; F74-I78 HydrophobicContact CE2-CD1 3.96Å; F74-I78 HydrophobicContact CZ-CD1 3.64Å; F74-I78 WeakPolarHBondContact O-CG1 3.46Å; F74-I78 PolarHBondContact O-N 3.11Å; I78-L80 VanDerWaalsContact C-N 3.26Å; I78-L80 PolarHBondContact O-N 3.01Å; I78-F81 PolarHBondContact O-N 3.16Å; I78-T82 HydrophobicContact CG2-CG2 4.33Å; I78-T82 WeakPolarHBondContact O-CG2 3.06Å; I78-T82 PolarHBondContact O-N 3.31Å; I78-T82 VanDerWaalsContact O-N 3.07Å
79	P	60.1	Low	60.9	Low	69 Å²	69	76.3 Å²	76.3	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-31.7	-178.2	24.1	-35.5	0	0	0	113	T76 F81 T82 Y83	T76-P79 VanDerWaalsContact O-CD 3.3Å; T76-P79 WeakPolarHBondContact O-CD 3.48Å; T76-P79 VanDerWaalsContact O-CG 3.26Å; T76-P79 WeakPolarHBondContact O-CG 3.26Å; P79-F81 VanDerWaalsContact C-N 3.34Å; P79-F81 PolarHBondContact O-N 3.29Å; P79-T82 VanDerWaalsContact CA-OG1 3.28Å; P79-T82 WeakPolarHBondContact CA-OG1 3.31Å; P79-T82 PolarHBondContact O-N 3.25Å; P79-T82 PolarHBondContact O-OG1 3.44Å; P79-Y83 VanDerWaalsContact O-CB 3.24Å; P79-Y83 WeakPolarHBondContact O-CB 3.44Å; P79-Y83 PolarHBondContact O-N 3.25Å
80	L	54.6	Low	59.2	Low	61 Å²	61	79 Å²	79	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-44.4	179.6	-170.6	72.4	0	0	0	111.6	I64 L77 I78 Y83 Q84	I64-L80 HydrophobicContact CD1-CB 4.1Å; I64-L80 HydrophobicContact CD1-CD1 3.41Å; I64-L80 VanDerWaalsContact CD1-CD1 3.41Å; I64-L80 HydrophobicContact CD1-CD2 3.26Å; I64-L80 HydrophobicContact CD1-CG 3.69Å; I64-L80 HydrophobicContact CG1-CB 4.48Å; I64-L80 HydrophobicContact CG1-CD1 3.6Å; I64-L80 HydrophobicContact CG1-CD2 4.36Å; I64-L80 HydrophobicContact CG1-CG 4.3Å; L77-L80 HydrophobicContact CD2-CB 4.33Å; L77-L80 HydrophobicContact CD2-CD2 3.91Å; L77-L80 WeakPolarHBondContact O-CB 3.02Å; L77-L80 PolarHBondContact O-N 3.38Å; L77-L80 VanDerWaalsContact O-N 3.13Å; I78-L80 VanDerWaalsContact C-N 3.26Å; I78-L80 PolarHBondContact O-N 3.01Å; L80-Y83 PolarHBondContact O-N 3.11Å; L80-Q84 WeakPolarHBondContact O-CB 3.24Å; L80-Q84 PolarHBondContact O-N 3.48Å
81	F	56.4	Low	57.8	Low	79 Å²	79	75.5 Å²	75.5	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-80.3	-22.1	-178.3	-72	-71.9	0	0	0	113.1	W21 F25 L77 I78 P79	W21-F81 HydrophobicContact CH2-CB 3.81Å; W21-F81 AromaticContact CH2-CD1 3.35Å; W21-F81 HydrophobicContact CH2-CD1 3.35Å; W21-F81 AromaticContact CH2-CD2 3.15Å; W21-F81 HydrophobicContact CH2-CD2 3.15Å; W21-F81 AromaticContact CH2-CE1 3.56Å; W21-F81 HydrophobicContact CH2-CE1 3.56Å; W21-F81 AromaticContact CH2-CE2 3.38Å; W21-F81 HydrophobicContact CH2-CE2 3.38Å; W21-F81 AromaticContact CH2-CG 3.12Å; W21-F81 HydrophobicContact CH2-CG 3.12Å; W21-F81 AromaticContact CH2-CZ 3.57Å; W21-F81 HydrophobicContact CH2-CZ 3.57Å; W21-F81 HydrophobicContact CZ2-CB 3.48Å; W21-F81 VanDerWaalsContact CZ2-CB 3.48Å; W21-F81 AromaticContact CZ2-CD1 3.66Å; W21-F81 HydrophobicContact CZ2-CD1 3.66Å; W21-F81 AromaticContact CZ2-CD2 3.78Å; W21-F81 HydrophobicContact CZ2-CD2 3.78Å; W21-F81 HydrophobicContact CZ2-CE1 4.31Å; W21-F81 HydrophobicContact CZ2-CE2 4.41Å; W21-F81 AromaticContact CZ2-CG 3.35Å; W21-F81 HydrophobicContact CZ2-CG 3.35Å; W21-F81 AromaticContact CZ3-CD2 3.78Å; W21-F81 HydrophobicContact CZ3-CD2 3.78Å; W21-F81 AromaticContact CZ3-CE2 3.75Å; W21-F81 HydrophobicContact CZ3-CE2 3.75Å; W21-F81 HydrophobicContact CZ3-CG 4.18Å; W21-F81 HydrophobicContact CZ3-CZ 4.14Å; F25-F81 HydrophobicContact CZ-CE2 4.38Å; L77-F81 HydrophobicContact CB-CD2 4.46Å; L77-F81 HydrophobicContact CB-CE2 4.4Å; L77-F81 HydrophobicContact CD2-CE2 4.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.25Å; L77-F81 PolarHBondContact O-N 2.53Å; I78-F81 PolarHBondContact O-N 3.16Å; P79-F81 VanDerWaalsContact C-N 3.34Å; P79-F81 PolarHBondContact O-N 3.29Å
82	T	51.6	Low	56.3	Low	63 Å²	63	74.6 Å²	74.6	39%	0.387	39%	0.39	S	S	.	.	H	α-helix	trans	-71.3	-45.3	165.9	61.2	0	0	0	0	110	M13 I78 P79 Q84 A85	M13-T82 WeakPolarHBondContact CE-O 3.33Å; I78-T82 HydrophobicContact CG2-CG2 4.33Å; I78-T82 WeakPolarHBondContact O-CG2 3.06Å; I78-T82 PolarHBondContact O-N 3.31Å; I78-T82 VanDerWaalsContact O-N 3.07Å; P79-T82 VanDerWaalsContact CA-OG1 3.28Å; P79-T82 WeakPolarHBondContact CA-OG1 3.31Å; P79-T82 PolarHBondContact O-N 3.25Å; P79-T82 PolarHBondContact O-OG1 3.44Å; T82-Q84 VanDerWaalsContact C-N 3.33Å; T82-Q84 PolarHBondContact O-N 3.5Å; T82-A85 PolarHBondContact O-N 3.38Å
83	Y	48.1	Very low	54.8	Low	162 Å²	162	80.5 Å²	80.5	64%	0.635	42%	0.417	S	S	*	.	H	α-helix	trans	-67.2	-32.4	-177.1	-144.1	-106.2	0	0	0	113.2	P79 L80 A85 E86 A87	P79-Y83 VanDerWaalsContact O-CB 3.24Å; P79-Y83 WeakPolarHBondContact O-CB 3.44Å; P79-Y83 PolarHBondContact O-N 3.25Å; L80-Y83 PolarHBondContact O-N 3.11Å; Y83-A85 PolarHBondContact O-N 2.94Å; Y83-E86 WeakPolarHBondContact CD2-OE2 3.34Å; Y83-E86 PolarHBondContact O-N 2.84Å; Y83-E86 VanDerWaalsContact O-N 3.11Å; Y83-A87 PolarHBondContact O-N 3.3Å
84	Q	41.3	Very low	53.5	Low	114 Å²	114	79.1 Å²	79.1	53%	0.533	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-25	179.7	-173.3	153.3	11.3	0	0	113	L80 T82	L80-Q84 WeakPolarHBondContact O-CB 3.24Å; L80-Q84 PolarHBondContact O-N 3.48Å; T82-Q84 VanDerWaalsContact C-N 3.33Å; T82-Q84 PolarHBondContact O-N 3.5Å
85	A	41.9	Very low	52.8	Low	36 Å²	36	84.3 Å²	84.3	30%	0.298	43%	0.427	S	S	.	.	H	α-helix	trans	-86.9	-22.4	174.1	0	0	0	0	0	112.6	M13 T82 Y83 E88 E89	M13-A85 VanDerWaalsContact CE-CA 3.5Å; M13-A85 HydrophobicContact CE-CB 3.07Å; T82-A85 PolarHBondContact O-N 3.38Å; Y83-A85 PolarHBondContact O-N 2.94Å; A85-E88 PolarHBondContact O-N 3.34Å; A85-E89 WeakPolarHBondContact O-CB 3.49Å; A85-E89 VanDerWaalsContact O-CG 3.31Å; A85-E89 WeakPolarHBondContact O-CG 3.34Å; A85-E89 PolarHBondContact O-N 3.34Å
86	E	39.4	Very low	52.2	Low	90 Å²	90	84 Å²	84	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-44.9	174.7	-68.8	179.4	88.5	0	0	110.1	M13 Y83 E88 E89 D90	M13-E86 HydrophobicContact CE-CB 4.42Å; M13-E86 HydrophobicContact CE-CG 3.71Å; M13-E86 HydrophobicContact SD-CG 3.78Å; Y83-E86 WeakPolarHBondContact CD2-OE2 3.34Å; Y83-E86 PolarHBondContact O-N 2.84Å; Y83-E86 VanDerWaalsContact O-N 3.11Å; E86-E88 VanDerWaalsContact C-N 3.28Å; E86-E88 PolarHBondContact O-N 2.98Å; E86-E89 PolarHBondContact O-N 2.92Å; E86-D90 PolarHBondContact O-N 3.18Å
87	A	42.4	Very low	51.5	Low	56 Å²	56	84.4 Å²	84.4	46%	0.463	42%	0.424	S	S	.	.	H	α-helix	trans	-65.9	-27.4	179.5	0	0	0	0	0	113.7	Y83 I91	Y83-A87 PolarHBondContact O-N 3.3Å; A87-I91 VanDerWaalsContact O-CD1 3.26Å; A87-I91 WeakPolarHBondContact O-CD1 3.31Å; A87-I91 VanDerWaalsContact O-CG1 3.26Å; A87-I91 WeakPolarHBondContact O-CG1 3.4Å
88	E	42.3	Very low	51.1	Low	127 Å²	127	85.2 Å²	85.2	59%	0.593	43%	0.427	S	S	*	.	H	α-helix	trans	-85.7	-33.4	174	-72.7	-166.7	82.4	0	0	112.4	A85 E86 I91 V92	A85-E88 PolarHBondContact O-N 3.34Å; E86-E88 VanDerWaalsContact C-N 3.28Å; E86-E88 PolarHBondContact O-N 2.98Å; E88-I91 PolarHBondContact O-N 3.22Å; E88-V92 WeakPolarHBondContact O-CG2 3.21Å; E88-V92 PolarHBondContact O-N 3.28Å
89	E	43	Very low	50.8	Low	78 Å²	78	88.3 Å²	88.3	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176.8	-78.1	-178.8	101.9	0	0	111.4	M13 A85 E86 I91 V92 E93	M13-E89 VanDerWaalsContact CE-OE2 3.25Å; M13-E89 WeakPolarHBondContact CE-OE2 3.34Å; M13-E89 WeakPolarHBondContact CG-OE2 3.21Å; A85-E89 WeakPolarHBondContact O-CB 3.49Å; A85-E89 VanDerWaalsContact O-CG 3.31Å; A85-E89 WeakPolarHBondContact O-CG 3.34Å; A85-E89 PolarHBondContact O-N 3.34Å; E86-E89 PolarHBondContact O-N 2.92Å; E89-I91 PolarHBondContact O-N 3.41Å; E89-V92 PolarHBondContact O-N 3.04Å; E89-V92 VanDerWaalsContact O-N 3.16Å; E89-E93 WeakPolarHBondContact O-CB 3.21Å; E89-E93 PolarHBondContact O-N 2.98Å
90	D	43.4	Very low	51	Low	96 Å²	96	91 Å²	91	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-57.6	-38	172.4	-76.1	-46.5	0	0	0	111.3	E86 L94	E86-D90 PolarHBondContact O-N 3.18Å; D90-L94 WeakPolarHBondContact O-CA 3.01Å; D90-L94 WeakPolarHBondContact O-CB 3.3Å; D90-L94 PolarHBondContact O-N 3.41Å
91	I	49	Very low	51.3	Low	72 Å²	72	89.2 Å²	89.2	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-69.6	-41.3	179	-60.8	166.6	0	0	0	111.2	A87 E88 E89 R95 F147 I151	A87-I91 VanDerWaalsContact O-CD1 3.26Å; A87-I91 WeakPolarHBondContact O-CD1 3.31Å; A87-I91 VanDerWaalsContact O-CG1 3.26Å; A87-I91 WeakPolarHBondContact O-CG1 3.4Å; E88-I91 PolarHBondContact O-N 3.22Å; E89-I91 PolarHBondContact O-N 3.41Å; I91-R95 WeakPolarHBondContact O-CB 3.29Å; I91-R95 PolarHBondContact O-N 2.95Å; I91-F147 HydrophobicContact CG2-CZ 4.04Å; I91-I151 HydrophobicContact CG1-CD1 4.19Å; I91-I151 HydrophobicContact CG2-CD1 4.45Å
92	V	50.7	Low	51.8	Low	80 Å²	80	86.1 Å²	86.1	49%	0.485	43%	0.43	S	S	.	.	H	α-helix	trans	-72	-47	-179.6	177.9	0	0	0	0	110.4	E88 E89 R95 E96	E88-V92 WeakPolarHBondContact O-CG2 3.21Å; E88-V92 PolarHBondContact O-N 3.28Å; E89-V92 PolarHBondContact O-N 3.04Å; E89-V92 VanDerWaalsContact O-N 3.16Å; V92-R95 PolarHBondContact O-N 3.13Å; V92-R95 VanDerWaalsContact O-N 3.16Å; V92-E96 HydrophobicContact CG1-CG 4.48Å; V92-E96 WeakPolarHBondContact O-CG 3.24Å; V92-E96 PolarHBondContact O-N 2.9Å
93	E	52.1	Low	52.3	Low	124 Å²	124	93.2 Å²	93.2	58%	0.579	45%	0.45	S	S	*	.	H	α-helix	trans	-62.5	-44.4	176.6	-73.5	-165.3	83.9	0	0	110.7	E89 R95 E96 T97	E89-E93 WeakPolarHBondContact O-CB 3.21Å; E89-E93 PolarHBondContact O-N 2.98Å; E93-R95 VanDerWaalsContact C-N 3.31Å; E93-R95 PolarHBondContact O-N 2.75Å; E93-E96 PolarHBondContact O-N 3.39Å; E93-T97 WeakPolarHBondContact O-CB 3.24Å; E93-T97 PolarHBondContact O-N 3.5Å; E93-T97 PolarHBondContact O-OG1 3.35Å
94	L	52.2	Low	53.2	Low	52 Å²	52	89 Å²	89	27%	0.272	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-37.1	175.2	-163.2	68.4	0	0	0	110.5	D90 T97 F98 A150 I151	D90-L94 WeakPolarHBondContact O-CA 3.01Å; D90-L94 WeakPolarHBondContact O-CB 3.3Å; D90-L94 PolarHBondContact O-N 3.41Å; L94-T97 WeakPolarHBondContact O-CB 3.41Å; L94-F98 HydrophobicContact CD1-CD2 3.89Å; L94-F98 HydrophobicContact CD1-CE2 3.65Å; L94-F98 HydrophobicContact CD2-CD2 4.4Å; L94-F98 HydrophobicContact CD2-CE2 3.94Å; L94-F98 HydrophobicContact CG-CD2 3.6Å; L94-F98 HydrophobicContact CG-CE2 3.54Å; L94-F98 WeakPolarHBondContact O-CB 3.37Å; L94-F98 WeakPolarHBondContact O-CD2 3.46Å; L94-F98 PolarHBondContact O-N 2.87Å; L94-A150 HydrophobicContact CD2-CB 3.88Å; L94-I151 HydrophobicContact CD2-CD1 3.65Å
95	R	54.3	Low	54.1	Low	174 Å²	174	86.3 Å²	86.3	66%	0.657	44%	0.441	S	S	*	.	H	α-helix	trans	-68.4	-41.6	176.5	-173.7	177	176.4	-171.1	0.2	112.9	I91 V92 E93 F98 N99 F147	I91-R95 WeakPolarHBondContact O-CB 3.29Å; I91-R95 PolarHBondContact O-N 2.95Å; V92-R95 PolarHBondContact O-N 3.13Å; V92-R95 VanDerWaalsContact O-N 3.16Å; E93-R95 VanDerWaalsContact C-N 3.31Å; E93-R95 PolarHBondContact O-N 2.75Å; R95-F98 PolarHBondContact O-N 3.36Å; R95-N99 VanDerWaalsContact O-CB 3.29Å; R95-N99 WeakPolarHBondContact O-CB 3.11Å; R95-N99 PolarHBondContact O-N 3.47Å; R95-F147 HydrophobicContact CB-CE2 3.65Å; R95-F147 HydrophobicContact CB-CZ 3.9Å; R95-F147 HydrophobicContact CG-CE2 4.14Å; R95-F147 HydrophobicContact CG-CZ 4.31Å
96	E	60.1	Low	55.3	Low	126 Å²	126	90.1 Å²	90.1	59%	0.589	46%	0.457	S	S	*	.	H	α-helix	trans	-67.5	-44.3	177.2	-73	-164.7	91.9	0	0	110.7	V92 E93 N99 I100	V92-E96 HydrophobicContact CG1-CG 4.48Å; V92-E96 WeakPolarHBondContact O-CG 3.24Å; V92-E96 PolarHBondContact O-N 2.9Å; E93-E96 PolarHBondContact O-N 3.39Å; E96-N99 PolarHBondContact O-N 2.86Å; E96-I100 WeakPolarHBondContact O-CD1 3.36Å; E96-I100 WeakPolarHBondContact O-CG1 3.12Å; E96-I100 PolarHBondContact O-N 3.42Å
97	T	60.8	Low	56.4	Low	48 Å²	48	87.7 Å²	87.7	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-51.8	-59.5	167.5	-65.1	0	0	0	0	108.6	E93 L94 N99 I100 F101	E93-T97 WeakPolarHBondContact O-CB 3.24Å; E93-T97 PolarHBondContact O-N 3.5Å; E93-T97 PolarHBondContact O-OG1 3.35Å; L94-T97 WeakPolarHBondContact O-CB 3.41Å; T97-N99 VanDerWaalsContact C-N 3.27Å; T97-N99 PolarHBondContact O-N 3.41Å; T97-N99 VanDerWaalsContact O-N 3.12Å; T97-I100 CarbonylContact O-C 3.2Å; T97-I100 WeakPolarHBondContact O-CA 3.28Å; T97-I100 WeakPolarHBondContact O-CB 3.45Å; T97-I100 PolarHBondContact O-N 2.82Å; T97-F101 HydrophobicContact CG2-CD2 3.57Å; T97-F101 HydrophobicContact CG2-CE1 4.18Å; T97-F101 HydrophobicContact CG2-CE2 2.99Å; T97-F101 HydrophobicContact CG2-CG 4.31Å; T97-F101 HydrophobicContact CG2-CZ 3.33Å; T97-F101 WeakPolarHBondContact O-CB 3.09Å; T97-F101 WeakPolarHBondContact O-CD2 3.47Å; T97-F101 WeakPolarHBondContact O-CG 3.4Å; T97-F101 PolarHBondContact O-N 3.39Å
98	F	61.4	Low	57.6	Low	21 Å²	21	90.7 Å²	90.7	9%	0.092	46%	0.456	C	S	.	.	H	α-helix	trans	-53.5	-40.5	177.8	-95	-107.3	0	0	0	113.5	L94 R95 I100 F101 D102 I109 I145 F147 A150	L94-F98 HydrophobicContact CD1-CD2 3.89Å; L94-F98 HydrophobicContact CD1-CE2 3.65Å; L94-F98 HydrophobicContact CD2-CD2 4.4Å; L94-F98 HydrophobicContact CD2-CE2 3.94Å; L94-F98 HydrophobicContact CG-CD2 3.6Å; L94-F98 HydrophobicContact CG-CE2 3.54Å; L94-F98 WeakPolarHBondContact O-CB 3.37Å; L94-F98 WeakPolarHBondContact O-CD2 3.46Å; L94-F98 PolarHBondContact O-N 2.87Å; R95-F98 PolarHBondContact O-N 3.36Å; F98-I100 VanDerWaalsContact C-N 3.31Å; F98-I100 PolarHBondContact O-N 3.12Å; F98-F101 CarbonylContact O-C 3.6Å; F98-F101 PolarHBondContact O-N 3.38Å; F98-D102 WeakPolarHBondContact O-CB 3.45Å; F98-D102 PolarHBondContact O-N 2.84Å; F98-I109 HydrophobicContact CD1-CD1 3.35Å; F98-I109 HydrophobicContact CD1-CG1 3.84Å; F98-I109 HydrophobicContact CD2-CD1 4.13Å; F98-I109 HydrophobicContact CE1-CD1 3.34Å; F98-I109 HydrophobicContact CE1-CG1 3.84Å; F98-I109 HydrophobicContact CE2-CD1 4.17Å; F98-I109 HydrophobicContact CG-CD1 3.77Å; F98-I109 HydrophobicContact CZ-CD1 3.79Å; F98-I145 HydrophobicContact CE1-CG2 3.96Å; F98-I145 HydrophobicContact CZ-CG2 3.66Å; F98-F147 HydrophobicContact CB-CD2 4.22Å; F98-F147 HydrophobicContact CD1-CB 4.21Å; F98-F147 HydrophobicContact CD1-CD2 4.14Å; F98-F147 HydrophobicContact CD2-CD2 4.26Å; F98-F147 HydrophobicContact CE1-CB 4.34Å; F98-F147 AromaticContact CG-CD2 3.93Å; F98-F147 HydrophobicContact CG-CD2 3.93Å; F98-A150 HydrophobicContact CE1-CB 4.45Å; F98-A150 HydrophobicContact CE2-CB 3.76Å; F98-A150 HydrophobicContact CZ-CB 3.4Å; F98-A150 VanDerWaalsContact CZ-CB 3.4Å
99	N	61.7	Low	58.8	Low	126 Å²	126	84.8 Å²	84.8	67%	0.674	43%	0.429	S	S	*	.	H	α-helix	trans	-75.2	-22.5	-179.6	-157.3	70.8	0	0	0	112.8	R95 E96 T97	R95-N99 VanDerWaalsContact O-CB 3.29Å; R95-N99 WeakPolarHBondContact O-CB 3.11Å; R95-N99 PolarHBondContact O-N 3.47Å; E96-N99 PolarHBondContact O-N 2.86Å; T97-N99 VanDerWaalsContact C-N 3.27Å; T97-N99 PolarHBondContact O-N 3.41Å; T97-N99 VanDerWaalsContact O-N 3.12Å
100	I	63.4	Low	60.1	Low	127 Å²	127	83.1 Å²	83.1	65%	0.651	42%	0.424	S	S	*	.	H	α-helix	trans	-77.9	-35.3	167.9	-65.1	160.6	0	0	0	110.1	E96 T97 F98	E96-I100 WeakPolarHBondContact O-CD1 3.36Å; E96-I100 WeakPolarHBondContact O-CG1 3.12Å; E96-I100 PolarHBondContact O-N 3.42Å; T97-I100 CarbonylContact O-C 3.2Å; T97-I100 WeakPolarHBondContact O-CA 3.28Å; T97-I100 WeakPolarHBondContact O-CB 3.45Å; T97-I100 PolarHBondContact O-N 2.82Å; F98-I100 VanDerWaalsContact C-N 3.31Å; F98-I100 PolarHBondContact O-N 3.12Å
101	F	62.3	Low	61.5	Low	23 Å²	23	81.2 Å²	81.2	10%	0.101	42%	0.416	C	S	.	.	H	α-helix	trans	-78.1	-41.2	-176.6	-75.5	-127.4	0	0	0	112.5	T97 F98 R103 I109 L114 V117 L121	T97-F101 HydrophobicContact CG2-CD2 3.57Å; T97-F101 HydrophobicContact CG2-CE1 4.18Å; T97-F101 HydrophobicContact CG2-CE2 2.99Å; T97-F101 HydrophobicContact CG2-CG 4.31Å; T97-F101 HydrophobicContact CG2-CZ 3.33Å; T97-F101 WeakPolarHBondContact O-CB 3.09Å; T97-F101 WeakPolarHBondContact O-CD2 3.47Å; T97-F101 WeakPolarHBondContact O-CG 3.4Å; T97-F101 PolarHBondContact O-N 3.39Å; F98-F101 CarbonylContact O-C 3.6Å; F98-F101 PolarHBondContact O-N 3.38Å; F101-R103 VanDerWaalsContact C-N 3.31Å; F101-R103 PolarHBondContact O-N 3.26Å; F101-I109 HydrophobicContact CB-CD1 3.65Å; F101-I109 HydrophobicContact CB-CG1 4.3Å; F101-I109 HydrophobicContact CD1-CD1 4.27Å; F101-I109 HydrophobicContact CG-CD1 4.3Å; F101-L114 HydrophobicContact CD1-CD1 4.25Å; F101-L114 HydrophobicContact CE1-CD1 4.23Å; F101-V117 HydrophobicContact CB-CG1 4.43Å; F101-V117 HydrophobicContact CB-CG2 4.06Å; F101-V117 HydrophobicContact CD1-CB 3.61Å; F101-V117 HydrophobicContact CD1-CG1 3.43Å; F101-V117 VanDerWaalsContact CD1-CG1 3.43Å; F101-V117 HydrophobicContact CD1-CG2 4Å; F101-V117 HydrophobicContact CD2-CB 4.4Å; F101-V117 HydrophobicContact CD2-CG1 3.44Å; F101-V117 VanDerWaalsContact CD2-CG1 3.44Å; F101-V117 HydrophobicContact CE1-CB 3.85Å; F101-V117 HydrophobicContact CE1-CG1 3.41Å; F101-V117 VanDerWaalsContact CE1-CG1 3.41Å; F101-V117 HydrophobicContact CE2-CG1 3.46Å; F101-V117 VanDerWaalsContact CE2-CG1 3.46Å; F101-V117 HydrophobicContact CG-CB 3.97Å; F101-V117 HydrophobicContact CG-CG1 3.51Å; F101-V117 HydrophobicContact CG-CG2 3.98Å; F101-V117 HydrophobicContact CZ-CB 4.42Å; F101-V117 HydrophobicContact CZ-CG1 3.5Å; F101-L121 HydrophobicContact CE1-CD1 4.18Å; F101-L121 HydrophobicContact CE2-CD1 3.96Å; F101-L121 HydrophobicContact CZ-CD1 3.42Å; F101-L121 VanDerWaalsContact CZ-CD1 3.42Å
102	D	66.4	Low	62.6	Low	13 Å²	13	81.9 Å²	81.9	7%	0.07	42%	0.423	C	S	.	.			trans	-79.1	75.2	179.2	-169.7	-105.3	0	0	0	109.7	F98 N104 G105 D106 G107 Y108	F98-D102 WeakPolarHBondContact O-CB 3.45Å; F98-D102 PolarHBondContact O-N 2.84Å; D102-N104 VanDerWaalsContact CG-OD1 3.28Å; D102-N104 PolarHBondContact O-N 3.32Å; D102-N104 PolarHBondContact OD1-OD1 3.07Å; D102-N104 PolarHBondContact OD2-OD1 3.45Å; D102-N104 VanDerWaalsContact OD2-OD1 3.13Å; D102-G105 PolarHBondContact O-N 3.26Å; D102-G105 WeakPolarHBondContact OD1-CA 3.43Å; D102-G105 PolarHBondContact OD1-N 3.13Å; D102-D106 PolarHBondContact OD1-N 2.92Å; D102-G107 PolarHBondContact OD1-N 3.02Å; D102-G107 PolarHBondContact OD2-N 3.47Å; D102-G107 VanDerWaalsContact OD2-N 3.12Å; D102-Y108 VanDerWaalsContact OD2-C 3.31Å; D102-Y108 PolarHBondContact OD2-N 2.85Å; D102-Y108 VanDerWaalsContact OD2-O 3.08Å
103	R	62.4	Low	63.7	Low	212 Å²	212	79.3 Å²	79.3	80%	0.8	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.5	-174.5	-167.2	175.8	178.4	171.7	3.9	112.7	F101	F101-R103 VanDerWaalsContact C-N 3.31Å; F101-R103 PolarHBondContact O-N 3.26Å
104	N	65.9	Low	64.6	Low	74 Å²	74	74.2 Å²	74.2	40%	0.396	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24	174.1	58.2	-16.8	0	0	0	113.3	D102 D106 E113	D102-N104 VanDerWaalsContact CG-OD1 3.28Å; D102-N104 PolarHBondContact O-N 3.32Å; D102-N104 PolarHBondContact OD1-OD1 3.07Å; D102-N104 PolarHBondContact OD2-OD1 3.45Å; D102-N104 VanDerWaalsContact OD2-OD1 3.13Å; N104-D106 VanDerWaalsContact C-N 3.32Å; N104-D106 WeakPolarHBondContact ND2-CB 3.41Å; N104-D106 PolarHBondContact ND2-OD2 3.01Å; N104-E113 PolarHBondContact OD1-OE1 3.37Å
105	G	60.3	Low	65.6	Low	57 Å²	57	75.4 Å²	75.4	59%	0.588	39%	0.386	S	S	*	.	S	Bend	trans	76	18.3	-178.3	0	0	0	0	0	113.6	D102	D102-G105 PolarHBondContact O-N 3.26Å; D102-G105 WeakPolarHBondContact OD1-CA 3.43Å; D102-G105 PolarHBondContact OD1-N 3.13Å
106	D	67.2	Low	66.5	Low	117 Å²	117	72.5 Å²	72.5	63%	0.626	38%	0.38	S	S	*	.	S	Bend	trans	-85.2	-12	-179.8	-71.9	-56.5	0	0	0	112.4	D102 N104 Y108	D102-D106 PolarHBondContact OD1-N 2.92Å; N104-D106 VanDerWaalsContact C-N 3.32Å; N104-D106 WeakPolarHBondContact ND2-CB 3.41Å; N104-D106 PolarHBondContact ND2-OD2 3.01Å; D106-Y108 HydrophobicContact CB-CD2 4.5Å; D106-Y108 VanDerWaalsContact O-CD2 3.29Å; D106-Y108 WeakPolarHBondContact O-CD2 3.44Å
107	G	63.9	Low	66.9	Low	39 Å²	39	67.6 Å²	67.6	40%	0.402	36%	0.358	S	S	.	.	S	Bend	trans	83.1	16.2	-178.4	0	0	0	0	0	114.4	D102	D102-G107 PolarHBondContact OD1-N 3.02Å; D102-G107 PolarHBondContact OD2-N 3.47Å; D102-G107 VanDerWaalsContact OD2-N 3.12Å
108	Y	66.5	Low	67.3	Low	118 Å²	118	66.7 Å²	66.7	46%	0.463	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.6	-178.4	-63.9	-86.8	0	0	0	109.7	D102 D106 T110 L144 N146	D102-Y108 VanDerWaalsContact OD2-C 3.31Å; D102-Y108 PolarHBondContact OD2-N 2.85Å; D102-Y108 VanDerWaalsContact OD2-O 3.08Å; D106-Y108 HydrophobicContact CB-CD2 4.5Å; D106-Y108 VanDerWaalsContact O-CD2 3.29Å; D106-Y108 WeakPolarHBondContact O-CD2 3.44Å; Y108-T110 PolarHBondContact O-N 3.29Å; Y108-L144 HydrophobicContact CD1-CB 4.15Å; Y108-L144 HydrophobicContact CD1-CD1 4.3Å; Y108-L144 HydrophobicContact CG-CD1 4.44Å; Y108-N146 HydrophobicContact CD1-CB 3.92Å; Y108-N146 HydrophobicContact CE1-CB 3.87Å
109	I	68.5	Low	67.8	Low	3 Å²	3	71 Å²	71	2%	0.015	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.2	175.5	-55.2	176.7	0	0	0	108.6	F98 F101 E113 L114 I145	F98-I109 HydrophobicContact CD1-CD1 3.35Å; F98-I109 HydrophobicContact CD1-CG1 3.84Å; F98-I109 HydrophobicContact CD2-CD1 4.13Å; F98-I109 HydrophobicContact CE1-CD1 3.34Å; F98-I109 HydrophobicContact CE1-CG1 3.84Å; F98-I109 HydrophobicContact CE2-CD1 4.17Å; F98-I109 HydrophobicContact CG-CD1 3.77Å; F98-I109 HydrophobicContact CZ-CD1 3.79Å; F101-I109 HydrophobicContact CB-CD1 3.65Å; F101-I109 HydrophobicContact CB-CG1 4.3Å; F101-I109 HydrophobicContact CD1-CD1 4.27Å; F101-I109 HydrophobicContact CG-CD1 4.3Å; I109-E113 HydrophobicContact CG2-CB 4Å; I109-L114 HydrophobicContact CG2-CB 3.77Å; I109-L114 HydrophobicContact CG2-CD1 4.43Å; I109-I145 PolarHBondContact N-O 2.83Å; I109-I145 PolarHBondContact O-N 3.42Å
110	T	70.8	Confident	68	Low	44 Å²	44	71.9 Å²	71.9	27%	0.27	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	157.7	171.7	62.8	0	0	0	0	111.5	Y108 T112 E113 L114 L144	Y108-T110 PolarHBondContact O-N 3.29Å; T110-T112 PolarHBondContact O-N 3.36Å; T110-E113 WeakPolarHBondContact CB-OE2 3.38Å; T110-E113 WeakPolarHBondContact CG2-OE2 2.86Å; T110-E113 PolarHBondContact N-OE2 3.08Å; T110-E113 PolarHBondContact O-N 3.18Å; T110-E113 WeakPolarHBondContact OG1-CG 3.34Å; T110-E113 PolarHBondContact OG1-N 3.33Å; T110-E113 PolarHBondContact OG1-OE2 3.01Å; T110-L114 PolarHBondContact O-N 3.09Å; T110-L144 HydrophobicContact CG2-CD2 3.47Å; T110-L144 VanDerWaalsContact CG2-CD2 3.47Å
111	T	72	Confident	68.1	Low	55 Å²	55	71.2 Å²	71.2	34%	0.337	38%	0.377	S	S	.	.	H	α-helix	trans	-49.8	-32.9	171.5	57.1	0	0	0	0	113.7	K115 I134	T111-K115 WeakPolarHBondContact O-CB 3.4Å; T111-K115 PolarHBondContact O-N 3.37Å; T111-K115 VanDerWaalsContact O-N 3.14Å; T111-I134 HydrophobicContact CG2-CB 4.32Å; T111-I134 HydrophobicContact CG2-CD1 3.79Å; T111-I134 HydrophobicContact CG2-CG1 3.66Å; T111-I134 HydrophobicContact CG2-CG2 4.16Å
112	T	71.8	Confident	68.2	Low	86 Å²	86	72.9 Å²	72.9	53%	0.528	40%	0.401	S	S	.	.	H	α-helix	trans	-76.8	-39.3	-179.6	-57.7	0	0	0	0	111.5	T110 Q116	T110-T112 PolarHBondContact O-N 3.36Å; T112-Q116 WeakPolarHBondContact O-CG 3.35Å; T112-Q116 PolarHBondContact O-N 3.17Å
113	E	73.9	Confident	68	Low	27 Å²	27	77.7 Å²	77.7	13%	0.126	43%	0.426	C	S	.	.	H	α-helix	trans	-68.4	-46.1	175.5	-73.5	165.8	126.4	0	0	111	N104 I109 T110 K115 Q116 V117	N104-E113 PolarHBondContact OD1-OE1 3.37Å; I109-E113 HydrophobicContact CG2-CB 4Å; T110-E113 WeakPolarHBondContact CB-OE2 3.38Å; T110-E113 WeakPolarHBondContact CG2-OE2 2.86Å; T110-E113 PolarHBondContact N-OE2 3.08Å; T110-E113 PolarHBondContact O-N 3.18Å; T110-E113 WeakPolarHBondContact OG1-CG 3.34Å; T110-E113 PolarHBondContact OG1-N 3.33Å; T110-E113 PolarHBondContact OG1-OE2 3.01Å; E113-K115 VanDerWaalsContact C-N 3.27Å; E113-K115 PolarHBondContact O-N 3.23Å; E113-Q116 PolarHBondContact O-N 3.01Å; E113-Q116 VanDerWaalsContact O-N 3.15Å; E113-V117 WeakPolarHBondContact O-CG2 3.4Å; E113-V117 PolarHBondContact O-N 2.6Å
114	L	70.9	Confident	68	Low	16 Å²	16	71.8 Å²	71.8	8%	0.084	42%	0.416	C	S	.	.	H	α-helix	trans	-55.5	-46	175.1	-173.9	62.1	0	0	0	110.9	F101 I109 T110 V117 L118 V130 I133 I134 I145	F101-L114 HydrophobicContact CD1-CD1 4.25Å; F101-L114 HydrophobicContact CE1-CD1 4.23Å; I109-L114 HydrophobicContact CG2-CB 3.77Å; I109-L114 HydrophobicContact CG2-CD1 4.43Å; T110-L114 PolarHBondContact O-N 3.09Å; L114-V117 PolarHBondContact O-N 3.17Å; L114-L118 HydrophobicContact CD1-CD1 4.17Å; L114-L118 HydrophobicContact CD1-CG 4.44Å; L114-L118 HydrophobicContact CG-CD1 3.87Å; L114-L118 WeakPolarHBondContact O-CB 3.26Å; L114-L118 VanDerWaalsContact O-CG 3.22Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 3.33Å; L114-V130 HydrophobicContact CD2-CG1 4.13Å; L114-I133 HydrophobicContact CD2-CG2 4.14Å; L114-I134 HydrophobicContact CD2-CD1 3.95Å; L114-I134 HydrophobicContact CD2-CG1 4.21Å; L114-I145 HydrophobicContact CD2-CD1 3.93Å
115	K	72.8	Confident	68	Low	78 Å²	78	69 Å²	69	34%	0.339	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-43.9	177.6	-170.3	-179.3	-175.1	-179.3	0	112.7	T111 E113 V117 D119 D127 V130	T111-K115 WeakPolarHBondContact O-CB 3.4Å; T111-K115 PolarHBondContact O-N 3.37Å; T111-K115 VanDerWaalsContact O-N 3.14Å; E113-K115 VanDerWaalsContact C-N 3.27Å; E113-K115 PolarHBondContact O-N 3.23Å; K115-V117 VanDerWaalsContact C-N 3.28Å; K115-V117 PolarHBondContact O-N 2.82Å; K115-D119 WeakPolarHBondContact O-CB 3.29Å; K115-D119 PolarHBondContact O-N 3.09Å; K115-D127 IonicContact NZ-OD1 2.88Å; K115-D127 PolarHBondContact NZ-OD1 3.35Å; K115-D127 IonicContact NZ-OD2 3.89Å; K115-D127 PolarHBondContact NZ-OD2 2.86Å; K115-V130 HydrophobicContact CB-CG2 4.19Å; K115-V130 HydrophobicContact CG-CG2 4.37Å
116	Q	73.3	Confident	68.5	Low	113 Å²	113	69.5 Å²	69.5	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-39.6	178.3	-83.1	-175.5	7.9	0	0	111.7	T112 E113 D119 D120	T112-Q116 WeakPolarHBondContact O-CG 3.35Å; T112-Q116 PolarHBondContact O-N 3.17Å; E113-Q116 PolarHBondContact O-N 3.01Å; E113-Q116 VanDerWaalsContact O-N 3.15Å; Q116-D119 PolarHBondContact O-N 2.65Å; Q116-D120 PolarHBondContact O-N 2.76Å
117	V	69	Low	68.8	Low	22 Å²	22	68.2 Å²	68.2	13%	0.133	39%	0.391	C	S	.	.	H	α-helix	trans	-76.2	-38.7	-177.2	-175.7	0	0	0	0	111.2	F101 E113 L114 K115 D119 D120 L121	F101-V117 HydrophobicContact CB-CG1 4.43Å; F101-V117 HydrophobicContact CB-CG2 4.06Å; F101-V117 HydrophobicContact CD1-CB 3.61Å; F101-V117 HydrophobicContact CD1-CG1 3.43Å; F101-V117 VanDerWaalsContact CD1-CG1 3.43Å; F101-V117 HydrophobicContact CD1-CG2 4Å; F101-V117 HydrophobicContact CD2-CB 4.4Å; F101-V117 HydrophobicContact CD2-CG1 3.44Å; F101-V117 VanDerWaalsContact CD2-CG1 3.44Å; F101-V117 HydrophobicContact CE1-CB 3.85Å; F101-V117 HydrophobicContact CE1-CG1 3.41Å; F101-V117 VanDerWaalsContact CE1-CG1 3.41Å; F101-V117 HydrophobicContact CE2-CG1 3.46Å; F101-V117 VanDerWaalsContact CE2-CG1 3.46Å; F101-V117 HydrophobicContact CG-CB 3.97Å; F101-V117 HydrophobicContact CG-CG1 3.51Å; F101-V117 HydrophobicContact CG-CG2 3.98Å; F101-V117 HydrophobicContact CZ-CB 4.42Å; F101-V117 HydrophobicContact CZ-CG1 3.5Å; E113-V117 WeakPolarHBondContact O-CG2 3.4Å; E113-V117 PolarHBondContact O-N 2.6Å; L114-V117 PolarHBondContact O-N 3.17Å; K115-V117 VanDerWaalsContact C-N 3.28Å; K115-V117 PolarHBondContact O-N 2.82Å; V117-D119 VanDerWaalsContact C-N 3.26Å; V117-D119 PolarHBondContact O-N 3.04Å; V117-D120 PolarHBondContact O-N 3.09Å; V117-D120 VanDerWaalsContact O-N 3.09Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 WeakPolarHBondContact O-CB 3.22Å; V117-L121 WeakPolarHBondContact O-CD1 3.3Å; V117-L121 PolarHBondContact O-N 2.89Å
118	L	68.7	Low	69.3	Low	30 Å²	30	72.4 Å²	72.4	16%	0.157	40%	0.4	C	S	.	.	H	α-helix	trans	-58.5	-39.5	171.1	-74.7	170.8	0	0	0	111.5	L114 G122 D123 A125 V130	L114-L118 HydrophobicContact CD1-CD1 4.17Å; L114-L118 HydrophobicContact CD1-CG 4.44Å; L114-L118 HydrophobicContact CG-CD1 3.87Å; L114-L118 WeakPolarHBondContact O-CB 3.26Å; L114-L118 VanDerWaalsContact O-CG 3.22Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 3.33Å; L118-G122 PolarHBondContact O-N 3.02Å; L118-D123 CarbonylContact C-O 3.56Å; L118-D123 WeakPolarHBondContact CB-O 3.37Å; L118-D123 CarbonylContact O-C 3.53Å; L118-D123 PolarHBondContact O-N 3.49Å; L118-A125 HydrophobicContact CB-CB 4.38Å; L118-A125 HydrophobicContact CD1-CB 3.54Å; L118-A125 HydrophobicContact CG-CB 4.48Å; L118-V130 HydrophobicContact CD1-CG2 4.22Å
119	D	71.5	Confident	69.4	Low	112 Å²	112	70.4 Å²	70.4	60%	0.599	40%	0.397	S	S	*	.	H	α-helix	trans	-65.3	-39.4	172.6	-160.8	-113.3	0	0	0	112.5	K115 Q116 V117 G122	K115-D119 WeakPolarHBondContact O-CB 3.29Å; K115-D119 PolarHBondContact O-N 3.09Å; Q116-D119 PolarHBondContact O-N 2.65Å; V117-D119 VanDerWaalsContact C-N 3.26Å; V117-D119 PolarHBondContact O-N 3.04Å; D119-G122 PolarHBondContact O-N 3.3Å
120	D	66.9	Low	69.6	Low	144 Å²	144	70.5 Å²	70.5	77%	0.77	40%	0.398	S	S	*	.	H	α-helix	trans	-69.5	-36.7	178.4	-163.8	-108.6	0	0	0	113	Q116 V117 G122	Q116-D120 PolarHBondContact O-N 2.76Å; V117-D120 PolarHBondContact O-N 3.09Å; V117-D120 VanDerWaalsContact O-N 3.09Å; D120-G122 PolarHBondContact O-N 3.25Å
121	L	64.5	Low	69.6	Low	112 Å²	112	75.4 Å²	75.4	59%	0.586	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.3	172.1	-79.8	151.1	0	0	0	112.8	F101 V117	F101-L121 HydrophobicContact CE1-CD1 4.18Å; F101-L121 HydrophobicContact CE2-CD1 3.96Å; F101-L121 HydrophobicContact CZ-CD1 3.42Å; F101-L121 VanDerWaalsContact CZ-CD1 3.42Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 WeakPolarHBondContact O-CB 3.22Å; V117-L121 WeakPolarHBondContact O-CD1 3.3Å; V117-L121 PolarHBondContact O-N 2.89Å
122	G	64.9	Low	69.4	Low	58 Å²	58	77 Å²	77	60%	0.598	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	14.2	-177.4	0	0	0	0	0	114.1	L118 D119 D120 P124	L118-G122 PolarHBondContact O-N 3.02Å; D119-G122 PolarHBondContact O-N 3.3Å; D120-G122 PolarHBondContact O-N 3.25Å; G122-P124 VanDerWaalsContact C-CD 3.46Å; G122-P124 VanDerWaalsContact O-CD 3.27Å; G122-P124 WeakPolarHBondContact O-CD 3.35Å
123	D	61.5	Low	69.2	Low	114 Å²	114	76.3 Å²	76.3	61%	0.61	41%	0.41	S	S	*	.			trans	-114.2	76.7	174.1	-156.1	-100.9	0	0	0	109.6	L118 A125	L118-D123 CarbonylContact C-O 3.56Å; L118-D123 WeakPolarHBondContact CB-O 3.37Å; L118-D123 CarbonylContact O-C 3.53Å; L118-D123 PolarHBondContact O-N 3.49Å; D123-A125 PolarHBondContact O-N 3.14Å
124	P	63.3	Low	68.9	Low	88 Å²	88	75.4 Å²	75.4	57%	0.571	41%	0.406	S	S	*	.			trans	-68.3	101.3	-174.4	28.1	-35.1	0	0	0	110.5	G122	G122-P124 VanDerWaalsContact C-CD 3.46Å; G122-P124 VanDerWaalsContact O-CD 3.27Å; G122-P124 WeakPolarHBondContact O-CD 3.35Å
125	A	64.9	Low	68.8	Low	16 Å²	16	78.2 Å²	78.2	13%	0.132	43%	0.432	C	S	.	.			trans	-73.2	138	170.8	0	0	0	0	0	110.9	L118 D123 D129 V130	L118-A125 HydrophobicContact CB-CB 4.38Å; L118-A125 HydrophobicContact CD1-CB 3.54Å; L118-A125 HydrophobicContact CG-CB 4.48Å; D123-A125 PolarHBondContact O-N 3.14Å; A125-D129 HydrophobicContact CB-CB 4.06Å; A125-V130 HydrophobicContact CB-CG2 3.68Å
126	S	72.2	Confident	68.4	Low	67 Å²	67	79.1 Å²	79.1	47%	0.469	45%	0.448	S	S	.	.			trans	-68.8	157.1	175	-46.5	0	0	0	0	109.8	E128 D129 V130	S126-E128 PolarHBondContact O-N 2.92Å; S126-D129 WeakPolarHBondContact CB-OD2 3.32Å; S126-D129 PolarHBondContact N-OD2 3.45Å; S126-D129 PolarHBondContact O-N 3.3Å; S126-D129 PolarHBondContact OG-OD2 2.58Å; S126-V130 WeakPolarHBondContact O-CG2 3.43Å; S126-V130 PolarHBondContact O-N 3Å
127	D	72.4	Confident	67.8	Low	91 Å²	91	74.8 Å²	74.8	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-54.5	-22.5	173.4	-59.2	-93.2	0	0	0	113.1	K115 R131	K115-D127 IonicContact NZ-OD1 2.88Å; K115-D127 PolarHBondContact NZ-OD1 3.35Å; K115-D127 IonicContact NZ-OD2 3.89Å; K115-D127 PolarHBondContact NZ-OD2 2.86Å; D127-R131 VanDerWaalsContact O-CB 3.31Å; D127-R131 WeakPolarHBondContact O-CB 3.45Å; D127-R131 VanDerWaalsContact O-CG 3.26Å; D127-R131 WeakPolarHBondContact O-CG 3.45Å; D127-R131 PolarHBondContact O-N 3.21Å; D127-R131 PolarHBondContact O-NE 2.8Å
128	E	74.4	Confident	67.3	Low	126 Å²	126	74.7 Å²	74.7	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-80.1	-42	174.5	-154.1	169	117.9	0	0	112.4	S126 R131 N132	S126-E128 PolarHBondContact O-N 2.92Å; E128-R131 PolarHBondContact O-N 3.07Å; E128-N132 WeakPolarHBondContact O-CB 3.43Å; E128-N132 PolarHBondContact O-N 3.12Å; E128-N132 PolarHBondContact O-ND2 3.22Å
129	D	70	Confident	66.7	Low	77 Å²	77	78.9 Å²	78.9	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-47.4	175.5	-58.9	-60.3	0	0	0	110.7	A125 S126 R131 N132 I133	A125-D129 HydrophobicContact CB-CB 4.06Å; S126-D129 WeakPolarHBondContact CB-OD2 3.32Å; S126-D129 PolarHBondContact N-OD2 3.45Å; S126-D129 PolarHBondContact O-N 3.3Å; S126-D129 PolarHBondContact OG-OD2 2.58Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 3.13Å; D129-N132 PolarHBondContact O-N 2.81Å; D129-N132 VanDerWaalsContact O-N 3.12Å; D129-I133 VanDerWaalsContact O-CG1 3.24Å; D129-I133 WeakPolarHBondContact O-CG1 3.29Å; D129-I133 PolarHBondContact O-N 3.32Å
130	V	71	Confident	66.1	Low	5 Å²	5	80 Å²	80	3%	0.03	47%	0.466	C	S	.	.	H	α-helix	trans	-58.9	-45.3	175.1	177.4	0	0	0	0	110.3	L114 K115 L118 A125 S126 N132 I133 I134	L114-V130 HydrophobicContact CD2-CG1 4.13Å; K115-V130 HydrophobicContact CB-CG2 4.19Å; K115-V130 HydrophobicContact CG-CG2 4.37Å; L118-V130 HydrophobicContact CD1-CG2 4.22Å; A125-V130 HydrophobicContact CB-CG2 3.68Å; S126-V130 WeakPolarHBondContact O-CG2 3.43Å; S126-V130 PolarHBondContact O-N 3Å; V130-N132 VanDerWaalsContact C-N 3.32Å; V130-N132 PolarHBondContact O-N 2.82Å; V130-I133 PolarHBondContact O-N 3.06Å; V130-I134 HydrophobicContact CG1-CG1 4.21Å; V130-I134 WeakPolarHBondContact O-CB 3.41Å; V130-I134 WeakPolarHBondContact O-CG1 3.34Å; V130-I134 PolarHBondContact O-N 3.29Å
131	R	70.8	Confident	65.5	Low	147 Å²	147	81.5 Å²	81.5	56%	0.555	47%	0.468	S	S	*	.	H	α-helix	trans	-63.3	-36.7	176.3	-86.5	-177.8	-69.4	151.2	2.9	112.7	D127 E128 D129 A135	D127-R131 VanDerWaalsContact O-CB 3.31Å; D127-R131 WeakPolarHBondContact O-CB 3.45Å; D127-R131 VanDerWaalsContact O-CG 3.26Å; D127-R131 WeakPolarHBondContact O-CG 3.45Å; D127-R131 PolarHBondContact O-N 3.21Å; D127-R131 PolarHBondContact O-NE 2.8Å; E128-R131 PolarHBondContact O-N 3.07Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 3.13Å; R131-A135 WeakPolarHBondContact O-CB 3.49Å; R131-A135 PolarHBondContact O-N 3.14Å
132	N	69.7	Low	65.4	Low	89 Å²	89	81.3 Å²	81.3	48%	0.476	47%	0.468	S	S	.	.	H	α-helix	trans	-70.6	-40.8	178.2	-72.6	-19.1	0	0	0	111.5	E128 D129 V130 A135 S136	E128-N132 WeakPolarHBondContact O-CB 3.43Å; E128-N132 PolarHBondContact O-N 3.12Å; E128-N132 PolarHBondContact O-ND2 3.22Å; D129-N132 PolarHBondContact O-N 2.81Å; D129-N132 VanDerWaalsContact O-N 3.12Å; V130-N132 VanDerWaalsContact C-N 3.32Å; V130-N132 PolarHBondContact O-N 2.82Å; N132-A135 PolarHBondContact O-N 3.2Å; N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.4Å; N132-S136 PolarHBondContact O-N 2.89Å; N132-S136 PolarHBondContact O-OG 2.6Å
133	I	67.1	Low	65.2	Low	71 Å²	71	79.8 Å²	79.8	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-61.3	-52.1	175.1	-65.5	161.5	0	0	0	109	L114 D129 V130 A135 S136 T137 I145	L114-I133 HydrophobicContact CD2-CG2 4.14Å; D129-I133 VanDerWaalsContact O-CG1 3.24Å; D129-I133 WeakPolarHBondContact O-CG1 3.29Å; D129-I133 PolarHBondContact O-N 3.32Å; V130-I133 PolarHBondContact O-N 3.06Å; I133-A135 PolarHBondContact O-N 2.72Å; I133-S136 PolarHBondContact O-N 2.98Å; I133-S136 VanDerWaalsContact O-N 3.12Å; I133-T137 PolarHBondContact O-N 3Å; I133-T137 PolarHBondContact O-OG1 2.75Å; I133-T137 VanDerWaalsContact O-OG1 3.11Å; I133-I145 HydrophobicContact CG2-CD1 4.31Å
134	I	67.9	Low	65.2	Low	7 Å²	7	76.6 Å²	76.6	4%	0.036	44%	0.435	C	S	.	.	H	α-helix	trans	-58.1	-51.7	177.6	-58.9	-86.7	0	0	0	109.6	T111 L114 V130 S136 T137 D138 I145	T111-I134 HydrophobicContact CG2-CB 4.32Å; T111-I134 HydrophobicContact CG2-CD1 3.79Å; T111-I134 HydrophobicContact CG2-CG1 3.66Å; T111-I134 HydrophobicContact CG2-CG2 4.16Å; L114-I134 HydrophobicContact CD2-CD1 3.95Å; L114-I134 HydrophobicContact CD2-CG1 4.21Å; V130-I134 HydrophobicContact CG1-CG1 4.21Å; V130-I134 WeakPolarHBondContact O-CB 3.41Å; V130-I134 WeakPolarHBondContact O-CG1 3.34Å; V130-I134 PolarHBondContact O-N 3.29Å; I134-S136 PolarHBondContact O-N 2.79Å; I134-S136 VanDerWaalsContact O-N 3.11Å; I134-T137 PolarHBondContact O-N 3.33Å; I134-T137 VanDerWaalsContact O-N 3.12Å; I134-D138 HydrophobicContact CG2-CB 3.99Å; I134-D138 WeakPolarHBondContact O-CA 3.34Å; I134-D138 WeakPolarHBondContact O-CB 3.34Å; I134-D138 PolarHBondContact O-N 2.83Å; I134-I145 HydrophobicContact CD1-CD1 3.45Å; I134-I145 VanDerWaalsContact CD1-CD1 3.45Å; I134-I145 HydrophobicContact CD1-CG1 3.71Å; I134-I145 HydrophobicContact CG1-CD1 4.26Å
135	A	68.7	Low	65.2	Low	76 Å²	76	72.8 Å²	72.8	63%	0.628	41%	0.41	S	S	*	.	H	α-helix	trans	-63.3	-21.5	-178.7	0	0	0	0	0	114.2	R131 N132 I133	R131-A135 WeakPolarHBondContact O-CB 3.49Å; R131-A135 PolarHBondContact O-N 3.14Å; N132-A135 PolarHBondContact O-N 3.2Å; I133-A135 PolarHBondContact O-N 2.72Å
136	S	64.1	Low	64.9	Low	97 Å²	97	74.7 Å²	74.7	68%	0.678	42%	0.417	S	S	*	.	H	α-helix	trans	-86.3	-31.9	176.8	-54.4	0	0	0	0	112.1	N132 I133 I134	N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.4Å; N132-S136 PolarHBondContact O-N 2.89Å; N132-S136 PolarHBondContact O-OG 2.6Å; I133-S136 PolarHBondContact O-N 2.98Å; I133-S136 VanDerWaalsContact O-N 3.12Å; I134-S136 PolarHBondContact O-N 2.79Å; I134-S136 VanDerWaalsContact O-N 3.11Å
137	T	59.5	Low	64	Low	22 Å²	22	74.6 Å²	74.6	14%	0.135	41%	0.409	C	S	.	.	H	α-helix	trans	-92.2	-33.9	-179.5	-51.8	0	0	0	0	112.6	I133 I134 S139 I145 A150	I133-T137 PolarHBondContact O-N 3Å; I133-T137 PolarHBondContact O-OG1 2.75Å; I133-T137 VanDerWaalsContact O-OG1 3.11Å; I134-T137 PolarHBondContact O-N 3.33Å; I134-T137 VanDerWaalsContact O-N 3.12Å; T137-S139 PolarHBondContact O-N 3.25Å; T137-I145 HydrophobicContact CG2-CD1 4.49Å; T137-I145 HydrophobicContact CG2-CG1 4.02Å; T137-I145 HydrophobicContact CG2-CG2 3.88Å; T137-A150 HydrophobicContact CG2-CB 4.5Å
138	D	59.9	Low	63.1	Low	20 Å²	20	77.1 Å²	77.1	11%	0.107	42%	0.417	C	S	.	.			trans	-80.4	78.3	-176.1	-174.1	-134.5	0	0	0	110.6	I134 D140 Q141 D142 G143	I134-D138 HydrophobicContact CG2-CB 3.99Å; I134-D138 WeakPolarHBondContact O-CA 3.34Å; I134-D138 WeakPolarHBondContact O-CB 3.34Å; I134-D138 PolarHBondContact O-N 2.83Å; D138-D140 PolarHBondContact O-N 3.15Å; D138-Q141 PolarHBondContact O-N 3.37Å; D138-Q141 WeakPolarHBondContact OD1-CA 2.98Å; D138-Q141 PolarHBondContact OD1-N 2.95Å; D138-D142 PolarHBondContact OD1-N 3.36Å; D138-D142 PolarHBondContact OD2-N 3.06Å; D138-G143 WeakPolarHBondContact OD1-CA 3.18Å; D138-G143 PolarHBondContact OD1-N 3.15Å; D138-G143 PolarHBondContact OD2-N 2.88Å
139	S	55.5	Low	62	Low	118 Å²	118	71.9 Å²	71.9	83%	0.825	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.5	175.3	-65.9	0	0	0	0	112.6	T137	T137-S139 PolarHBondContact O-N 3.25Å
140	D	58.7	Low	61	Low	136 Å²	136	69.2 Å²	69.2	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.7	-179	-155.4	-121.4	0	0	0	113.4	D138 D142	D138-D140 PolarHBondContact O-N 3.15Å; D140-D142 PolarHBondContact O-N 3.48Å
141	Q	55.1	Low	60	Low	174 Å²	174	71.9 Å²	71.9	81%	0.813	40%	0.399	S	S	*	.			trans	58.5	24.7	-177.2	-61.5	178.2	21	0	0	114.1	D138 G143	D138-Q141 PolarHBondContact O-N 3.37Å; D138-Q141 WeakPolarHBondContact OD1-CA 2.98Å; D138-Q141 PolarHBondContact OD1-N 2.95Å; Q141-G143 VanDerWaalsContact C-N 3.28Å
142	D	62.6	Low	58.9	Low	108 Å²	108	71.3 Å²	71.3	58%	0.578	41%	0.408	S	S	*	.	S	Bend	trans	-82.8	-11.4	177.3	-148.7	-101.9	0	0	0	111.7	D138 D140 L144	D138-D142 PolarHBondContact OD1-N 3.36Å; D138-D142 PolarHBondContact OD2-N 3.06Å; D140-D142 PolarHBondContact O-N 3.48Å; D142-L144 VanDerWaalsContact C-N 3.3Å; D142-L144 VanDerWaalsContact OD1-CD1 3.22Å; D142-L144 WeakPolarHBondContact OD1-CD1 3.49Å
143	G	59.2	Low	57.6	Low	26 Å²	26	70.2 Å²	70.2	27%	0.268	41%	0.41	S	S	.	.	S	Bend	trans	76.5	18.1	-177.7	0	0	0	0	0	113.3	D138 Q141	D138-G143 WeakPolarHBondContact OD1-CA 3.18Å; D138-G143 PolarHBondContact OD1-N 3.15Å; D138-G143 PolarHBondContact OD2-N 2.88Å; Q141-G143 VanDerWaalsContact C-N 3.28Å
144	L	62.4	Low	56	Low	47 Å²	47	76.5 Å²	76.5	25%	0.246	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	-176.9	-61	176.1	0	0	0	109.2	Y108 T110 D142 N146	Y108-L144 HydrophobicContact CD1-CB 4.15Å; Y108-L144 HydrophobicContact CD1-CD1 4.3Å; Y108-L144 HydrophobicContact CG-CD1 4.44Å; T110-L144 HydrophobicContact CG2-CD2 3.47Å; T110-L144 VanDerWaalsContact CG2-CD2 3.47Å; D142-L144 VanDerWaalsContact C-N 3.3Å; D142-L144 VanDerWaalsContact OD1-CD1 3.22Å; D142-L144 WeakPolarHBondContact OD1-CD1 3.49Å; L144-N146 PolarHBondContact O-N 3.18Å
145	I	62.5	Low	55.4	Low	9 Å²	9	80 Å²	80	5%	0.046	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.2	169.7	-68	165.5	0	0	0	107.9	F98 I109 L114 I133 I134 T137 A150	F98-I145 HydrophobicContact CE1-CG2 3.96Å; F98-I145 HydrophobicContact CZ-CG2 3.66Å; I109-I145 PolarHBondContact N-O 2.83Å; I109-I145 PolarHBondContact O-N 3.42Å; L114-I145 HydrophobicContact CD2-CD1 3.93Å; I133-I145 HydrophobicContact CG2-CD1 4.31Å; I134-I145 HydrophobicContact CD1-CD1 3.45Å; I134-I145 VanDerWaalsContact CD1-CD1 3.45Å; I134-I145 HydrophobicContact CD1-CG1 3.71Å; I134-I145 HydrophobicContact CG1-CD1 4.26Å; T137-I145 HydrophobicContact CG2-CD1 4.49Å; T137-I145 HydrophobicContact CG2-CG1 4.02Å; T137-I145 HydrophobicContact CG2-CG2 3.88Å; I145-A150 HydrophobicContact CG2-CB 4.05Å
146	N	58.4	Low	54.7	Low	55 Å²	55	80.2 Å²	80.2	29%	0.294	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	151	165.6	67.8	-27.6	0	0	0	110	Y108 L144 E148 G149 A150	Y108-N146 HydrophobicContact CD1-CB 3.92Å; Y108-N146 HydrophobicContact CE1-CB 3.87Å; L144-N146 PolarHBondContact O-N 3.18Å; N146-E148 PolarHBondContact O-N 3.43Å; N146-G149 PolarHBondContact O-N 2.77Å; N146-G149 WeakPolarHBondContact OD1-CA 3.08Å; N146-G149 PolarHBondContact OD1-N 3.08Å; N146-A150 PolarHBondContact O-N 3Å
147	F	54.5	Low	54.2	Low	66 Å²	66	79.3 Å²	79.3	29%	0.289	45%	0.445	S	S	.	.	H	α-helix	trans	-51.8	-42.8	175.7	179.6	-102.8	0	0	0	111.8	I91 R95 F98 G149 A150 I151	I91-F147 HydrophobicContact CG2-CZ 4.04Å; R95-F147 HydrophobicContact CB-CE2 3.65Å; R95-F147 HydrophobicContact CB-CZ 3.9Å; R95-F147 HydrophobicContact CG-CE2 4.14Å; R95-F147 HydrophobicContact CG-CZ 4.31Å; F98-F147 HydrophobicContact CB-CD2 4.22Å; F98-F147 HydrophobicContact CD1-CB 4.21Å; F98-F147 HydrophobicContact CD1-CD2 4.14Å; F98-F147 HydrophobicContact CD2-CD2 4.26Å; F98-F147 HydrophobicContact CE1-CB 4.34Å; F98-F147 AromaticContact CG-CD2 3.93Å; F98-F147 HydrophobicContact CG-CD2 3.93Å; F147-G149 PolarHBondContact O-N 3.24Å; F147-A150 PolarHBondContact O-N 2.93Å; F147-I151 HydrophobicContact CD1-CG1 4.4Å; F147-I151 HydrophobicContact CE1-CD1 4.33Å; F147-I151 HydrophobicContact CE1-CG1 4.06Å; F147-I151 HydrophobicContact CE2-CD1 4.18Å; F147-I151 HydrophobicContact CZ-CD1 3.91Å; F147-I151 HydrophobicContact CZ-CG1 4.15Å; F147-I151 WeakPolarHBondContact O-CG1 3.38Å; F147-I151 PolarHBondContact O-N 2.97Å
148	E	52.9	Low	53.9	Low	143 Å²	143	82.6 Å²	82.6	67%	0.668	46%	0.463	S	S	*	.	H	α-helix	trans	-60.9	-45.1	-178.8	-155.4	173.6	101.8	0	0	112.3	N146 A150 I151 D152	N146-E148 PolarHBondContact O-N 3.43Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 2.65Å; E148-I151 PolarHBondContact O-N 3.39Å; E148-I151 VanDerWaalsContact O-N 3.14Å; E148-D152 PolarHBondContact O-N 3.41Å; E148-D152 VanDerWaalsContact O-N 3.16Å
149	G	51.3	Low	53.5	Low	16 Å²	16	86.6 Å²	86.6	17%	0.165	49%	0.485	C	S	.	.	H	α-helix	trans	-69.1	-25.1	179.1	0	0	0	0	0	113.8	N146 F147 A153	N146-G149 PolarHBondContact O-N 2.77Å; N146-G149 WeakPolarHBondContact OD1-CA 3.08Å; N146-G149 PolarHBondContact OD1-N 3.08Å; F147-G149 PolarHBondContact O-N 3.24Å; G149-A153 PolarHBondContact O-N 3.16Å
150	A	49.9	Very low	53.4	Low	21 Å²	21	84.5 Å²	84.5	17%	0.174	46%	0.462	C	S	.	.	H	α-helix	trans	-74.8	-27.7	173.5	0	0	0	0	0	112.7	L94 F98 T137 I145 N146 F147 E148	L94-A150 HydrophobicContact CD2-CB 3.88Å; F98-A150 HydrophobicContact CE1-CB 4.45Å; F98-A150 HydrophobicContact CE2-CB 3.76Å; F98-A150 HydrophobicContact CZ-CB 3.4Å; F98-A150 VanDerWaalsContact CZ-CB 3.4Å; T137-A150 HydrophobicContact CG2-CB 4.5Å; I145-A150 HydrophobicContact CG2-CB 4.05Å; N146-A150 PolarHBondContact O-N 3Å; F147-A150 PolarHBondContact O-N 2.93Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 2.65Å
151	I	49.5	Very low	53	Low	61 Å²	61	80.8 Å²	80.8	31%	0.313	44%	0.444	S	S	.	.	H	α-helix	trans	-75.3	-39.1	173.9	-55.6	-61.4	0	0	0	111	I91 L94 F147 E148 A153	I91-I151 HydrophobicContact CG1-CD1 4.19Å; I91-I151 HydrophobicContact CG2-CD1 4.45Å; L94-I151 HydrophobicContact CD2-CD1 3.65Å; F147-I151 HydrophobicContact CD1-CG1 4.4Å; F147-I151 HydrophobicContact CE1-CD1 4.33Å; F147-I151 HydrophobicContact CE1-CG1 4.06Å; F147-I151 HydrophobicContact CE2-CD1 4.18Å; F147-I151 HydrophobicContact CZ-CD1 3.91Å; F147-I151 HydrophobicContact CZ-CG1 4.15Å; F147-I151 WeakPolarHBondContact O-CG1 3.38Å; F147-I151 PolarHBondContact O-N 2.97Å; E148-I151 PolarHBondContact O-N 3.39Å; E148-I151 VanDerWaalsContact O-N 3.14Å; I151-A153 PolarHBondContact O-N 2.88Å
152	D	47.2	Very low	52.9	Low	136 Å²	136	73.6 Å²	73.6	73%	0.727	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.1	178.3	-88.7	-80.7	0	0	0	114.2	E148 N154	E148-D152 PolarHBondContact O-N 3.41Å; E148-D152 VanDerWaalsContact O-N 3.16Å; D152-N154 PolarHBondContact O-N 3.23Å
153	A	42.6	Very low	52.1	Low	65 Å²	65	70.8 Å²	70.8	54%	0.537	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.4	-176.4	0	0	0	0	0	115	G149 I151	G149-A153 PolarHBondContact O-N 3.16Å; I151-A153 PolarHBondContact O-N 2.88Å
154	N	34.3	Very low	51.4	Low	204 Å²	204	74.8 Å²	74.8	100%	1.091	41%	0.414	S	S	*	.			trans	-111.5	0	178.6	-166.5	52.1	0	0	0	113.3	D152	D152-N154 PolarHBondContact O-N 3.23Å

Retrieved 154 of 154 residues in 205.4 ms (Link to these results)

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