A0A087YAA3_POEFO Loading...

Astrocytic phosphoprotein PEA-15

AlphaFold DB (A0A3B3VBS3), UniProt , Accession A0A087YAA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 130 aa.

						>A0A087YAA3_POEFO|A0A087YAA3
MAEYTSLLSDLSENITNEDLEQLKSACKEDIPEDQSNNITSSKEWFSYLEKNDKLAQDNLSYIEHIFEISRRPDLLTRVIEYRTTVLKISEDDEIDTKLTRIPSAKKYKDIIRQPSEDEIIKLAPPPKKA
					

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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	58.4	Low	85.3	Confident	170 Å²	170	58.7 Å²	58.7	84%	0.837	34%	0.342	S	S	*	.				0	-73.8	0	-63.8	-70.5	169.8	0	0	111.3	E3 Y4 T5	M1-E3 PolarHBondContact O-N 2.89Å; M1-Y4 PolarHBondContact O-N 2.96Å; M1-T5 PolarHBondContact O-N 2.75Å; M1-T5 PolarHBondContact O-OG1 3.2Å; M1-T5 VanDerWaalsContact O-OG1 3.12Å
2	A	78.6	Confident	85.8	Confident	75 Å²	75	54.9 Å²	54.9	62%	0.62	32%	0.321	S	S	*	.	H	α-helix	trans	-60.2	-43.8	-175.2	0	0	0	0	0	114.2	Y4 T5 S6	A2-Y4 VanDerWaalsContact C-N 3.33Å; A2-Y4 PolarHBondContact O-N 3.14Å; A2-T5 WeakPolarHBondContact CA-OG1 3.3Å; A2-T5 PolarHBondContact O-N 3.39Å; A2-T5 PolarHBondContact O-OG1 2.86Å; A2-S6 WeakPolarHBondContact O-CB 3Å; A2-S6 PolarHBondContact O-N 2.92Å
3	E	83.4	Confident	86.1	Confident	117 Å²	117	62.2 Å²	62.2	55%	0.547	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-42.4	179.2	-61.2	-61.3	150.6	0	0	112.2	M1 S6 L7 Y82 V86	M1-E3 PolarHBondContact O-N 2.89Å; E3-S6 PolarHBondContact O-N 3.08Å; E3-L7 PolarHBondContact O-N 3.5Å; E3-Y82 VanDerWaalsContact C-CE2 3.48Å; E3-Y82 HydrophobicContact CB-CE2 3.74Å; E3-Y82 WeakPolarHBondContact O-CE2 3.37Å; E3-V86 HydrophobicContact CB-CG1 4.14Å; E3-V86 HydrophobicContact CB-CG2 4.13Å; E3-V86 HydrophobicContact CG-CG1 4.44Å; E3-V86 HydrophobicContact CG-CG2 4.39Å
4	Y	87.4	Confident	86.4	Confident	11 Å²	11	63.6 Å²	63.6	4%	0.043	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-46.5	179.9	170.7	-104.4	0	0	0	111.7	M1 A2 S6 L7 L8 E50 L55 Q57 L60 Y82	M1-Y4 PolarHBondContact O-N 2.96Å; A2-Y4 VanDerWaalsContact C-N 3.33Å; A2-Y4 PolarHBondContact O-N 3.14Å; Y4-S6 PolarHBondContact O-N 2.73Å; Y4-L7 WeakPolarHBondContact O-CB 3.18Å; Y4-L7 PolarHBondContact O-N 2.88Å; Y4-L8 HydrophobicContact CD1-CD1 4.28Å; Y4-L8 HydrophobicContact CE1-CD1 3.55Å; Y4-L8 HydrophobicContact CE1-CG 4.21Å; Y4-L8 HydrophobicContact CE2-CD1 4.2Å; Y4-L8 HydrophobicContact CE2-CD2 4.25Å; Y4-L8 HydrophobicContact CE2-CG 4.15Å; Y4-L8 PolarHBondContact O-N 3.22Å; Y4-E50 WeakPolarHBondContact CE1-OE1 3.11Å; Y4-E50 VanDerWaalsContact CZ-OE1 3.3Å; Y4-E50 PolarHBondContact OH-OE1 3.08Å; Y4-L55 WeakPolarHBondContact OH-CG 3.48Å; Y4-Q57 HydrophobicContact CD1-CB 4.46Å; Y4-Q57 HydrophobicContact CD2-CB 4.17Å; Y4-Q57 HydrophobicContact CD2-CG 4.38Å; Y4-Q57 HydrophobicContact CG-CB 4.09Å; Y4-Q57 HydrophobicContact CG-CG 4.18Å; Y4-L60 HydrophobicContact CD2-CD2 4.46Å; Y4-L60 HydrophobicContact CE2-CD2 4.07Å; Y4-Y82 WeakPolarHBondContact CA-OH 3.43Å; Y4-Y82 VanDerWaalsContact CB-OH 3.3Å; Y4-Y82 WeakPolarHBondContact CB-OH 3.41Å; Y4-Y82 PolarHBondContact N-OH 2.87Å
5	T	87.6	Confident	86.6	Confident	78 Å²	78	60.1 Å²	60.1	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-31.4	175	44.5	0	0	0	0	112.4	M1 A2 S9	M1-T5 PolarHBondContact O-N 2.75Å; M1-T5 PolarHBondContact O-OG1 3.2Å; M1-T5 VanDerWaalsContact O-OG1 3.12Å; A2-T5 WeakPolarHBondContact CA-OG1 3.3Å; A2-T5 PolarHBondContact O-N 3.39Å; A2-T5 PolarHBondContact O-OG1 2.86Å; T5-S9 WeakPolarHBondContact O-CB 3.44Å; T5-S9 PolarHBondContact O-N 3.28Å; T5-S9 PolarHBondContact O-OG 3.27Å
6	S	89.5	Confident	86.8	Confident	73 Å²	73	61.1 Å²	61.1	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-70.7	-41.7	174.5	-162.1	0	0	0	0	111.7	A2 E3 Y4 S9 D10	A2-S6 WeakPolarHBondContact O-CB 3Å; A2-S6 PolarHBondContact O-N 2.92Å; E3-S6 PolarHBondContact O-N 3.08Å; Y4-S6 PolarHBondContact O-N 2.73Å; S6-S9 PolarHBondContact O-N 2.79Å; S6-D10 WeakPolarHBondContact O-CB 2.94Å; S6-D10 PolarHBondContact O-N 3.47Å
7	L	89.3	Confident	86.9	Confident	13 Å²	13	64.1 Å²	64.1	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-50.5	172.4	175.2	71.4	0	0	0	111	E3 Y4 S9 D10 L11 L60 R78 Y82	E3-L7 PolarHBondContact O-N 3.5Å; Y4-L7 WeakPolarHBondContact O-CB 3.18Å; Y4-L7 PolarHBondContact O-N 2.88Å; L7-S9 VanDerWaalsContact C-N 3.26Å; L7-S9 PolarHBondContact O-N 3.09Å; L7-D10 PolarHBondContact O-N 3.31Å; L7-L11 HydrophobicContact CD1-CD1 4.09Å; L7-L11 HydrophobicContact CD1-CG 4.12Å; L7-L11 HydrophobicContact CD2-CD1 4.27Å; L7-L11 HydrophobicContact CG-CD1 3.82Å; L7-L11 HydrophobicContact CG-CG 4.25Å; L7-L11 WeakPolarHBondContact O-CB 2.86Å; L7-L11 VanDerWaalsContact O-CG 3.29Å; L7-L11 WeakPolarHBondContact O-CG 3.15Å; L7-L11 PolarHBondContact O-N 2.79Å; L7-L60 HydrophobicContact CD2-CD2 4.47Å; L7-R78 HydrophobicContact CD1-CG 3.97Å; L7-Y82 HydrophobicContact CB-CD2 3.88Å; L7-Y82 HydrophobicContact CB-CE2 4.22Å; L7-Y82 HydrophobicContact CB-CG 4.32Å; L7-Y82 HydrophobicContact CD1-CG 4.4Å; L7-Y82 HydrophobicContact CD2-CD1 3.75Å; L7-Y82 HydrophobicContact CD2-CD2 3.99Å; L7-Y82 HydrophobicContact CD2-CE1 4.37Å; L7-Y82 HydrophobicContact CD2-CG 3.55Å; L7-Y82 HydrophobicContact CG-CD2 4.33Å; L7-Y82 HydrophobicContact CG-CG 4.28Å
8	L	91.2	Very high	87	Confident	18 Å²	18	69.1 Å²	69.1	9%	0.094	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-37.4	-179.7	-68.3	-172.5	0	0	0	112	Y4 S12 F46 L55	Y4-L8 HydrophobicContact CD1-CD1 4.28Å; Y4-L8 HydrophobicContact CE1-CD1 3.55Å; Y4-L8 HydrophobicContact CE1-CG 4.21Å; Y4-L8 HydrophobicContact CE2-CD1 4.2Å; Y4-L8 HydrophobicContact CE2-CD2 4.25Å; Y4-L8 HydrophobicContact CE2-CG 4.15Å; Y4-L8 PolarHBondContact O-N 3.22Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.18Å; L8-S12 PolarHBondContact O-OG 3.16Å; L8-F46 HydrophobicContact CD1-CB 4.31Å; L8-F46 HydrophobicContact CD2-CB 4.37Å; L8-F46 HydrophobicContact CD2-CD1 3.74Å; L8-F46 HydrophobicContact CD2-CD2 4.36Å; L8-F46 HydrophobicContact CD2-CE1 4.03Å; L8-F46 HydrophobicContact CD2-CG 3.92Å; L8-F46 HydrophobicContact CD2-CZ 4.47Å; L8-L55 HydrophobicContact CD2-CD2 4.18Å
9	S	90.8	Very high	87.1	Confident	49 Å²	49	66.7 Å²	66.7	34%	0.343	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-48.6	175.9	-63.2	0	0	0	0	111	T5 S6 L7 L11 S12 E13	T5-S9 WeakPolarHBondContact O-CB 3.44Å; T5-S9 PolarHBondContact O-N 3.28Å; T5-S9 PolarHBondContact O-OG 3.27Å; S6-S9 PolarHBondContact O-N 2.79Å; L7-S9 VanDerWaalsContact C-N 3.26Å; L7-S9 PolarHBondContact O-N 3.09Å; S9-L11 PolarHBondContact O-N 3.35Å; S9-S12 WeakPolarHBondContact CA-OG 3.11Å; S9-S12 PolarHBondContact O-N 3.08Å; S9-S12 VanDerWaalsContact O-N 3.12Å; S9-S12 PolarHBondContact O-OG 3.34Å; S9-E13 WeakPolarHBondContact O-CG 3.33Å; S9-E13 PolarHBondContact O-N 3.1Å
10	D	91.3	Very high	87.2	Confident	41 Å²	41	63.5 Å²	63.5	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-45.3	177.8	-179.2	98.4	0	0	0	111.7	S6 L7 S12 E13 N14 R78	S6-D10 WeakPolarHBondContact O-CB 2.94Å; S6-D10 PolarHBondContact O-N 3.47Å; L7-D10 PolarHBondContact O-N 3.31Å; D10-S12 VanDerWaalsContact C-N 3.34Å; D10-S12 PolarHBondContact O-N 3.15Å; D10-E13 PolarHBondContact O-N 3.18Å; D10-N14 PolarHBondContact O-N 3.4Å; D10-N14 PolarHBondContact O-ND2 2.96Å; D10-R78 IonicContact OD1-CZ 2.81Å; D10-R78 IonicContact OD1-NE 2.71Å; D10-R78 IonicContact OD1-NH2 3.94Å; D10-R78 PolarHBondContact OD1-NH2 3.03Å; D10-R78 IonicContact OD2-CZ 2.75Å; D10-R78 IonicContact OD2-NE 3.98Å; D10-R78 PolarHBondContact OD2-NE 3.3Å; D10-R78 IonicContact OD2-NH2 3.65Å; D10-R78 PolarHBondContact OD2-NH2 3.23Å
11	L	91.2	Very high	87.3	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-45.3	172.5	-70.1	172.3	0	0	0	111.3	L7 S9 E13 N14 I15 F46 F67 L75 R78 V79	L7-L11 HydrophobicContact CD1-CD1 4.09Å; L7-L11 HydrophobicContact CD1-CG 4.12Å; L7-L11 HydrophobicContact CD2-CD1 4.27Å; L7-L11 HydrophobicContact CG-CD1 3.82Å; L7-L11 HydrophobicContact CG-CG 4.25Å; L7-L11 WeakPolarHBondContact O-CB 2.86Å; L7-L11 VanDerWaalsContact O-CG 3.29Å; L7-L11 WeakPolarHBondContact O-CG 3.15Å; L7-L11 PolarHBondContact O-N 2.79Å; S9-L11 PolarHBondContact O-N 3.35Å; L11-E13 PolarHBondContact O-N 3.15Å; L11-N14 PolarHBondContact O-N 3Å; L11-N14 VanDerWaalsContact O-N 3.1Å; L11-I15 WeakPolarHBondContact O-CD1 3.38Å; L11-I15 WeakPolarHBondContact O-CG1 3.14Å; L11-I15 PolarHBondContact O-N 3.02Å; L11-F46 HydrophobicContact CB-CE2 4.11Å; L11-F46 HydrophobicContact CB-CZ 3.83Å; L11-F46 HydrophobicContact CD1-CE1 4.47Å; L11-F46 HydrophobicContact CD1-CZ 4.13Å; L11-F67 HydrophobicContact CD1-CE2 4.23Å; L11-F67 HydrophobicContact CD1-CZ 4.49Å; L11-F67 HydrophobicContact CD2-CE2 4.26Å; L11-L75 HydrophobicContact CD2-CB 4.15Å; L11-L75 HydrophobicContact CD2-CD2 3.86Å; L11-R78 HydrophobicContact CD2-CB 3.93Å; L11-R78 HydrophobicContact CD2-CG 4.24Å; L11-V79 HydrophobicContact CD1-CG2 3.84Å; L11-V79 HydrophobicContact CD2-CG2 4.28Å
12	S	90.6	Very high	88.8	Confident	13 Å²	13	63 Å²	63	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-30.4	-179.1	76.6	0	0	0	0	113.3	L8 S9 D10 K43	L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.18Å; L8-S12 PolarHBondContact O-OG 3.16Å; S9-S12 WeakPolarHBondContact CA-OG 3.11Å; S9-S12 PolarHBondContact O-N 3.08Å; S9-S12 VanDerWaalsContact O-N 3.12Å; S9-S12 PolarHBondContact O-OG 3.34Å; D10-S12 VanDerWaalsContact C-N 3.34Å; D10-S12 PolarHBondContact O-N 3.15Å; S12-K43 VanDerWaalsContact OG-CE 3.27Å; S12-K43 WeakPolarHBondContact OG-CE 3.47Å
13	E	90.3	Very high	89.3	Confident	150 Å²	150	59.5 Å²	59.5	70%	0.701	31%	0.313	S	S	*	.	H	α-helix	trans	-75.8	-27.7	175.7	-72.5	175.4	-167.9	0	0	112.4	S9 D10 L11	S9-E13 WeakPolarHBondContact O-CG 3.33Å; S9-E13 PolarHBondContact O-N 3.1Å; D10-E13 PolarHBondContact O-N 3.18Å; L11-E13 PolarHBondContact O-N 3.15Å
14	N	89.7	Confident	89.5	Confident	82 Å²	82	55.4 Å²	55.4	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-91.3	-5.9	178.4	-74.6	-86.1	0	0	0	113.8	D10 L11 R72 L75	D10-N14 PolarHBondContact O-N 3.4Å; D10-N14 PolarHBondContact O-ND2 2.96Å; L11-N14 PolarHBondContact O-N 3Å; L11-N14 VanDerWaalsContact O-N 3.1Å; N14-R72 PolarHBondContact O-NH2 3.49Å; N14-L75 HydrophobicContact CB-CD2 3.9Å
15	I	90.4	Very high	89.5	Confident	11 Å²	11	57.7 Å²	57.7	6%	0.056	31%	0.311	C	S	.	.			trans	-95	115.5	175.9	-69.5	163.3	0	0	0	108.7	L11 D19 L20 L23 S42 F46 F67 L75	L11-I15 WeakPolarHBondContact O-CD1 3.38Å; L11-I15 WeakPolarHBondContact O-CG1 3.14Å; L11-I15 PolarHBondContact O-N 3.02Å; I15-D19 HydrophobicContact CG2-CB 3.98Å; I15-L20 HydrophobicContact CG2-CB 4.2Å; I15-L23 HydrophobicContact CD1-CD1 3.94Å; I15-L23 HydrophobicContact CG1-CD1 4.28Å; I15-L23 HydrophobicContact CG2-CD1 3.95Å; I15-S42 WeakPolarHBondContact CG2-OG 3.21Å; I15-F46 HydrophobicContact CD1-CE2 3.94Å; I15-F46 HydrophobicContact CD1-CZ 3.74Å; I15-F67 HydrophobicContact CD1-CE1 4.4Å; I15-F67 HydrophobicContact CD1-CZ 4.43Å; I15-L75 HydrophobicContact CD1-CD1 4.16Å; I15-L75 HydrophobicContact CG1-CD1 3.59Å; I15-L75 HydrophobicContact CG1-CD2 4.13Å
16	T	89.8	Confident	89.4	Confident	76 Å²	76	55.1 Å²	55.1	47%	0.466	30%	0.297	S	S	.	.			trans	-81	171.9	172.1	74.4	0	0	0	0	111	E18 D19 L20	T16-E18 VanDerWaalsContact C-N 3.3Å; T16-E18 PolarHBondContact O-N 2.81Å; T16-D19 VanDerWaalsContact CB-OD2 3.29Å; T16-D19 WeakPolarHBondContact CB-OD2 3.13Å; T16-D19 WeakPolarHBondContact CG2-OD2 3.13Å; T16-D19 PolarHBondContact N-OD2 3.3Å; T16-D19 WeakPolarHBondContact O-CB 3.49Å; T16-D19 PolarHBondContact O-N 3.29Å; T16-D19 VanDerWaalsContact OG1-CG 3.25Å; T16-D19 PolarHBondContact OG1-N 3.37Å; T16-D19 PolarHBondContact OG1-OD2 3.16Å; T16-L20 PolarHBondContact O-N 3.43Å
17	N	87.9	Confident	89.2	Confident	111 Å²	111	51.7 Å²	51.7	59%	0.594	27%	0.274	S	S	*	.	H	α-helix	trans	-65.4	-34.7	178.3	-139.8	-28.1	0	0	0	112.2	L20 E21	N17-L20 WeakPolarHBondContact O-CB 3.23Å; N17-L20 PolarHBondContact O-N 3.06Å; N17-E21 PolarHBondContact O-N 3.29Å; N17-E21 VanDerWaalsContact O-N 3.08Å
18	E	88.2	Confident	88.8	Confident	154 Å²	154	57 Å²	57	72%	0.72	30%	0.296	S	S	*	.	H	α-helix	trans	-65.3	-40.5	174.3	-68.7	-174.1	171	0	0	111.6	T16 L20 E21 Q22	T16-E18 VanDerWaalsContact C-N 3.3Å; T16-E18 PolarHBondContact O-N 2.81Å; E18-L20 VanDerWaalsContact C-N 3.33Å; E18-E21 PolarHBondContact O-N 3.29Å; E18-Q22 PolarHBondContact O-N 3.29Å; E18-Q22 VanDerWaalsContact O-N 3.13Å
19	D	89.4	Confident	88.2	Confident	24 Å²	24	65.5 Å²	65.5	13%	0.128	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.1	-58.3	-63.7	0	0	0	111.1	I15 T16 E21 Q22 L23 R72	I15-D19 HydrophobicContact CG2-CB 3.98Å; T16-D19 VanDerWaalsContact CB-OD2 3.29Å; T16-D19 WeakPolarHBondContact CB-OD2 3.13Å; T16-D19 WeakPolarHBondContact CG2-OD2 3.13Å; T16-D19 PolarHBondContact N-OD2 3.3Å; T16-D19 WeakPolarHBondContact O-CB 3.49Å; T16-D19 PolarHBondContact O-N 3.29Å; T16-D19 VanDerWaalsContact OG1-CG 3.25Å; T16-D19 PolarHBondContact OG1-N 3.37Å; T16-D19 PolarHBondContact OG1-OD2 3.16Å; D19-E21 VanDerWaalsContact C-N 3.27Å; D19-E21 PolarHBondContact O-N 3.08Å; D19-Q22 CarbonylContact O-C 3.59Å; D19-Q22 WeakPolarHBondContact O-CA 3.32Å; D19-Q22 WeakPolarHBondContact O-CB 3.42Å; D19-Q22 PolarHBondContact O-N 3.42Å; D19-L23 VanDerWaalsContact O-CG 3.25Å; D19-L23 WeakPolarHBondContact O-CG 3.41Å; D19-L23 PolarHBondContact O-N 3.47Å; D19-R72 IonicContact OD1-CZ 3.8Å; D19-R72 IonicContact OD1-NH1 2.69Å; D19-R72 PolarHBondContact OD1-NH1 3.26Å; D19-R72 IonicContact OD2-CZ 2.69Å; D19-R72 IonicContact OD2-NH1 3.47Å; D19-R72 PolarHBondContact OD2-NH1 3.37Å
20	L	89.9	Confident	87.5	Confident	2 Å²	2	67 Å²	67	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-40	175.9	-177.1	62.7	0	0	0	111.6	I15 T16 N17 E18 L23 K24 I39 W45	I15-L20 HydrophobicContact CG2-CB 4.2Å; T16-L20 PolarHBondContact O-N 3.43Å; N17-L20 WeakPolarHBondContact O-CB 3.23Å; N17-L20 PolarHBondContact O-N 3.06Å; E18-L20 VanDerWaalsContact C-N 3.33Å; L20-L23 PolarHBondContact O-N 3.33Å; L20-K24 HydrophobicContact CG-CD 4.46Å; L20-K24 WeakPolarHBondContact O-CB 3.29Å; L20-K24 VanDerWaalsContact O-CG 3.24Å; L20-K24 WeakPolarHBondContact O-CG 3.44Å; L20-K24 PolarHBondContact O-N 2.71Å; L20-I39 HydrophobicContact CD1-CG2 4.42Å; L20-W45 HydrophobicContact CD1-CB 3.95Å; L20-W45 HydrophobicContact CD1-CG 4.25Å
21	E	88.3	Confident	86.8	Confident	125 Å²	125	65.4 Å²	65.4	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-36.5	173.7	-70.4	-166.5	168.7	0	0	113.1	N17 E18 D19 S25	N17-E21 PolarHBondContact O-N 3.29Å; N17-E21 VanDerWaalsContact O-N 3.08Å; E18-E21 PolarHBondContact O-N 3.29Å; D19-E21 VanDerWaalsContact C-N 3.27Å; D19-E21 PolarHBondContact O-N 3.08Å; E21-S25 VanDerWaalsContact O-CB 3.31Å; E21-S25 WeakPolarHBondContact O-CB 3.13Å; E21-S25 PolarHBondContact O-N 3.02Å; E21-S25 PolarHBondContact O-OG 3.47Å
22	Q	89.4	Confident	86.4	Confident	100 Å²	100	68.8 Å²	68.8	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-42.9	172.4	-79.6	-175.3	28.6	0	0	112.3	E18 D19 S25 A26 S70	E18-Q22 PolarHBondContact O-N 3.29Å; E18-Q22 VanDerWaalsContact O-N 3.13Å; D19-Q22 CarbonylContact O-C 3.59Å; D19-Q22 WeakPolarHBondContact O-CA 3.32Å; D19-Q22 WeakPolarHBondContact O-CB 3.42Å; D19-Q22 PolarHBondContact O-N 3.42Å; Q22-S25 PolarHBondContact O-N 3.46Å; Q22-A26 WeakPolarHBondContact O-CB 3.38Å; Q22-A26 PolarHBondContact O-N 3.14Å; Q22-S70 PolarHBondContact OE1-O 2.99Å
23	L	88.8	Confident	85.8	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.7	-65	170.7	0	0	0	110.7	I15 D19 L20 S25 A26 C27 W45 I66 F67	I15-L23 HydrophobicContact CD1-CD1 3.94Å; I15-L23 HydrophobicContact CG1-CD1 4.28Å; I15-L23 HydrophobicContact CG2-CD1 3.95Å; D19-L23 VanDerWaalsContact O-CG 3.25Å; D19-L23 WeakPolarHBondContact O-CG 3.41Å; D19-L23 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 3.33Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.35Å; L23-A26 PolarHBondContact O-N 3.19Å; L23-C27 PolarHBondContact O-N 3.24Å; L23-C27 PolarHBondContact O-SG 2.97Å; L23-W45 HydrophobicContact CB-CH2 4.39Å; L23-W45 HydrophobicContact CB-CZ2 4.1Å; L23-W45 HydrophobicContact CD1-CE3 4.31Å; L23-W45 HydrophobicContact CD1-CH2 4.31Å; L23-W45 HydrophobicContact CD1-CZ3 4.07Å; L23-W45 HydrophobicContact CD2-CH2 4.21Å; L23-I66 HydrophobicContact CB-CG2 4.42Å; L23-I66 HydrophobicContact CD2-CG2 3.61Å; L23-F67 HydrophobicContact CD1-CE1 4.12Å; L23-F67 HydrophobicContact CD2-CD1 3.53Å; L23-F67 HydrophobicContact CD2-CE1 3.61Å
24	K	87.9	Confident	85.3	Confident	31 Å²	31	73.9 Å²	73.9	14%	0.135	38%	0.379	C	S	.	.	H	α-helix	trans	-57.6	-44.7	171.9	-75.6	170.9	-179	175.8	0	111.7	L20 C27 K28 S36 I39	L20-K24 HydrophobicContact CG-CD 4.46Å; L20-K24 WeakPolarHBondContact O-CB 3.29Å; L20-K24 VanDerWaalsContact O-CG 3.24Å; L20-K24 WeakPolarHBondContact O-CG 3.44Å; L20-K24 PolarHBondContact O-N 2.71Å; K24-C27 CarbonylContact O-C 3.52Å; K24-C27 PolarHBondContact O-N 3.36Å; K24-C27 VanDerWaalsContact O-N 3.14Å; K24-K28 PolarHBondContact O-N 3.26Å; K24-S36 WeakPolarHBondContact CB-OG 3.47Å; K24-S36 WeakPolarHBondContact CE-O 3.33Å; K24-I39 WeakPolarHBondContact CE-O 3.12Å; K24-I39 PolarHBondContact NZ-O 2.69Å
25	S	87.1	Confident	84.8	Confident	59 Å²	59	73.6 Å²	73.6	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-64.8	-38.9	179.2	-65.3	0	0	0	0	112.8	E21 Q22 L23 C27 K28	E21-S25 VanDerWaalsContact O-CB 3.31Å; E21-S25 WeakPolarHBondContact O-CB 3.13Å; E21-S25 PolarHBondContact O-N 3.02Å; E21-S25 PolarHBondContact O-OG 3.47Å; Q22-S25 PolarHBondContact O-N 3.46Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.35Å; S25-C27 VanDerWaalsContact C-N 3.26Å; S25-C27 PolarHBondContact O-N 3.18Å; S25-K28 WeakPolarHBondContact O-CB 3.37Å; S25-K28 PolarHBondContact O-N 3.18Å
26	A	86.9	Confident	84.3	Confident	24 Å²	24	73.5 Å²	73.5	20%	0.198	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-29.4	173.7	0	0	0	0	0	112.2	Q22 L23 I66 I69	Q22-A26 WeakPolarHBondContact O-CB 3.38Å; Q22-A26 PolarHBondContact O-N 3.14Å; L23-A26 PolarHBondContact O-N 3.19Å; A26-I66 HydrophobicContact CB-CD1 4.35Å; A26-I66 HydrophobicContact CB-CG2 4.11Å; A26-I69 HydrophobicContact CB-CB 4.34Å; A26-I69 HydrophobicContact CB-CG2 3.84Å
27	C	84.2	Confident	83.8	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.007	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.4	177.2	-62.2	0	0	0	0	114.4	L23 K24 S25 E29 D30 I31 I66	L23-C27 PolarHBondContact O-N 3.24Å; L23-C27 PolarHBondContact O-SG 2.97Å; K24-C27 CarbonylContact O-C 3.52Å; K24-C27 PolarHBondContact O-N 3.36Å; K24-C27 VanDerWaalsContact O-N 3.14Å; S25-C27 VanDerWaalsContact C-N 3.26Å; S25-C27 PolarHBondContact O-N 3.18Å; C27-E29 PolarHBondContact O-N 2.67Å; C27-E29 VanDerWaalsContact O-N 3.12Å; C27-D30 PolarHBondContact O-N 3.12Å; C27-I31 HydrophobicContact CB-CB 4.17Å; C27-I31 HydrophobicContact CB-CD1 3.5Å; C27-I31 HydrophobicContact CB-CG1 3.8Å; C27-I31 WeakPolarHBondContact O-CB 3.41Å; C27-I31 PolarHBondContact O-N 3.07Å; C27-I66 VanDerWaalsContact SG-CD1 3.56Å
28	K	81	Confident	83.7	Confident	124 Å²	124	75.5 Å²	75.5	54%	0.539	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.6	-173.2	-83.1	175.3	177.8	178.7	0	114.8	K24 S25	K24-K28 PolarHBondContact O-N 3.26Å; S25-K28 WeakPolarHBondContact O-CB 3.37Å; S25-K28 PolarHBondContact O-N 3.18Å
29	E	79.1	Confident	83.6	Confident	196 Å²	196	68.4 Å²	68.4	92%	0.916	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-27.5	177.3	-64.9	-168.9	143.6	0	0	112.6	C27	C27-E29 PolarHBondContact O-N 2.67Å; C27-E29 VanDerWaalsContact O-N 3.12Å
30	D	75.9	Confident	83.5	Confident	81 Å²	81	71.9 Å²	71.9	43%	0.433	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-29.8	-176.6	-84.2	-83.5	0	0	0	113.4	C27 K54 Y62	C27-D30 PolarHBondContact O-N 3.12Å; D30-K54 IonicContact OD1-NZ 3.18Å; D30-K54 PolarHBondContact OD1-NZ 3Å; D30-Y62 HydrophobicContact CB-CE2 4.29Å; D30-Y62 WeakPolarHBondContact CB-OH 3.47Å
31	I	77.1	Confident	83.4	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.041	39%	0.389	C	S	.	.	S	Bend	trans	-114.2	120	-175.7	-57.6	-178	0	0	0	108.6	C27 Q35 Y48 L49	C27-I31 HydrophobicContact CB-CB 4.17Å; C27-I31 HydrophobicContact CB-CD1 3.5Å; C27-I31 HydrophobicContact CB-CG1 3.8Å; C27-I31 WeakPolarHBondContact O-CB 3.41Å; C27-I31 PolarHBondContact O-N 3.07Å; I31-Q35 HydrophobicContact CG2-CB 3.92Å; I31-Y48 HydrophobicContact CB-CE1 4.32Å; I31-Y48 HydrophobicContact CD1-CD1 4Å; I31-Y48 HydrophobicContact CD1-CE1 3.79Å; I31-Y48 HydrophobicContact CG1-CE1 3.89Å; I31-Y48 HydrophobicContact CG2-CD1 4.41Å; I31-Y48 HydrophobicContact CG2-CE1 3.58Å; I31-L49 HydrophobicContact CD1-CD2 3.92Å
32	P	81.9	Confident	83.5	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	36%	0.364	S	S	.	.			trans	-61.6	145.7	177.9	22.6	-30.1	0	0	0	111.5	D34 Q35 S36	P32-D34 PolarHBondContact O-N 2.75Å; P32-Q35 HydrophobicContact CG-CB 4.27Å; P32-Q35 HydrophobicContact CG-CG 3.91Å; P32-Q35 PolarHBondContact O-N 3.14Å; P32-S36 PolarHBondContact O-N 3.13Å; P32-S36 VanDerWaalsContact O-N 3.08Å
33	E	78	Confident	83.5	Confident	134 Å²	134	69.5 Å²	69.5	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-58.1	-35.2	-172.4	-161.4	168.3	-162.1	0	0	112.7	Q35 S36 N37	E33-Q35 VanDerWaalsContact C-N 3.3Å; E33-Q35 PolarHBondContact O-N 3.01Å; E33-S36 PolarHBondContact O-N 3.02Å; E33-N37 WeakPolarHBondContact O-CB 3.41Å; E33-N37 VanDerWaalsContact O-CG 3.28Å; E33-N37 PolarHBondContact O-N 3.32Å; E33-N37 PolarHBondContact O-ND2 3.19Å
34	D	79.7	Confident	83.6	Confident	135 Å²	135	73.5 Å²	73.5	72%	0.722	39%	0.385	S	S	*	.	H	α-helix	trans	-56.3	-40.6	172.9	-71.1	-78.7	0	0	0	113.1	P32 N38	P32-D34 PolarHBondContact O-N 2.75Å; D34-N38 PolarHBondContact O-N 3.46Å
35	Q	80.6	Confident	83.7	Confident	76 Å²	76	72.1 Å²	72.1	36%	0.355	38%	0.379	S	S	.	.	H	α-helix	trans	-79.3	-38.4	-179.9	-65.1	-63.1	-33.2	0	0	111.3	I31 P32 E33 N37 N38 I39 Y48	I31-Q35 HydrophobicContact CG2-CB 3.92Å; P32-Q35 HydrophobicContact CG-CB 4.27Å; P32-Q35 HydrophobicContact CG-CG 3.91Å; P32-Q35 PolarHBondContact O-N 3.14Å; E33-Q35 VanDerWaalsContact C-N 3.3Å; E33-Q35 PolarHBondContact O-N 3.01Å; Q35-N37 VanDerWaalsContact C-N 3.27Å; Q35-N37 PolarHBondContact O-N 3.18Å; Q35-N38 PolarHBondContact O-N 3.17Å; Q35-I39 WeakPolarHBondContact O-CD1 3.33Å; Q35-I39 WeakPolarHBondContact O-CG1 3.5Å; Q35-I39 PolarHBondContact O-N 3.36Å; Q35-Y48 HydrophobicContact CB-CD2 4.41Å; Q35-Y48 HydrophobicContact CB-CE1 4.48Å; Q35-Y48 HydrophobicContact CB-CE2 3.56Å; Q35-Y48 WeakPolarHBondContact CB-OH 3.35Å; Q35-Y48 HydrophobicContact CG-CE2 3.67Å; Q35-Y48 WeakPolarHBondContact CG-OH 3.36Å; Q35-Y48 VanDerWaalsContact OE1-CE2 3.3Å
36	S	79.8	Confident	83.9	Confident	10 Å²	10	69.5 Å²	69.5	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-38.3	173.9	176.5	0	0	0	0	112.3	K24 P32 E33 I39	K24-S36 WeakPolarHBondContact CB-OG 3.47Å; K24-S36 WeakPolarHBondContact CE-O 3.33Å; P32-S36 PolarHBondContact O-N 3.13Å; P32-S36 VanDerWaalsContact O-N 3.08Å; E33-S36 PolarHBondContact O-N 3.02Å; S36-I39 PolarHBondContact O-N 3.07Å
37	N	79.6	Confident	84	Confident	113 Å²	113	70.8 Å²	70.8	60%	0.604	37%	0.368	S	S	*	.	H	α-helix	trans	-71.7	-30.6	178.3	-74.9	-21.7	0	0	0	113.2	E33 Q35 I39	E33-N37 WeakPolarHBondContact O-CB 3.41Å; E33-N37 VanDerWaalsContact O-CG 3.28Å; E33-N37 PolarHBondContact O-N 3.32Å; E33-N37 PolarHBondContact O-ND2 3.19Å; Q35-N37 VanDerWaalsContact C-N 3.27Å; Q35-N37 PolarHBondContact O-N 3.18Å; N37-I39 VanDerWaalsContact C-N 3.28Å; N37-I39 PolarHBondContact O-N 2.98Å
38	N	85.3	Confident	84.3	Confident	115 Å²	115	72.2 Å²	72.2	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-73.2	-23.2	177.9	-165.8	32.6	0	0	0	112.6	D34 Q35 T40	D34-N38 PolarHBondContact O-N 3.46Å; Q35-N38 PolarHBondContact O-N 3.17Å; N38-T40 PolarHBondContact O-N 2.75Å
39	I	86.6	Confident	84.7	Confident	6 Å²	6	66.3 Å²	66.3	3%	0.031	35%	0.348	C	S	.	.			trans	-77.6	110.9	178.6	-67.5	163	0	0	0	108.5	L20 K24 Q35 S36 N37 E44 W45 Y48	L20-I39 HydrophobicContact CD1-CG2 4.42Å; K24-I39 WeakPolarHBondContact CE-O 3.12Å; K24-I39 PolarHBondContact NZ-O 2.69Å; Q35-I39 WeakPolarHBondContact O-CD1 3.33Å; Q35-I39 WeakPolarHBondContact O-CG1 3.5Å; Q35-I39 PolarHBondContact O-N 3.36Å; S36-I39 PolarHBondContact O-N 3.07Å; N37-I39 VanDerWaalsContact C-N 3.28Å; N37-I39 PolarHBondContact O-N 2.98Å; I39-E44 HydrophobicContact CG2-CB 4.26Å; I39-W45 HydrophobicContact CG2-CB 3.61Å; I39-W45 HydrophobicContact CG2-CG 4.38Å; I39-Y48 HydrophobicContact CD1-CD1 4.05Å; I39-Y48 HydrophobicContact CD1-CD2 4.44Å; I39-Y48 HydrophobicContact CD1-CG 3.85Å
40	T	86	Confident	85.2	Confident	96 Å²	96	60.7 Å²	60.7	59%	0.589	32%	0.322	S	S	*	.			trans	-107.2	-13.1	179.2	63.6	0	0	0	0	113.1	N38 E44	N38-T40 PolarHBondContact O-N 2.75Å; T40-E44 WeakPolarHBondContact CA-OE2 3.42Å; T40-E44 PolarHBondContact N-OE2 3.25Å; T40-E44 PolarHBondContact OG1-OE2 3.08Å
41	S	88.9	Confident	85.8	Confident	50 Å²	50	65.1 Å²	65.1	35%	0.35	34%	0.337	S	S	.	.	S	Bend	trans	-133.2	151.5	-179.9	-176.1	0	0	0	0	112.2	K43 E44 W45	S41-K43 PolarHBondContact O-N 3.21Å; S41-E44 PolarHBondContact N-OE2 2.83Å; S41-E44 WeakPolarHBondContact O-CB 3.36Å; S41-E44 PolarHBondContact O-N 3.3Å; S41-W45 PolarHBondContact O-N 3.34Å
42	S	89.9	Confident	86.3	Confident	10 Å²	10	68.2 Å²	68.2	7%	0.07	35%	0.353	C	S	.	.	H	α-helix	trans	-55.1	-35.3	173.4	-39.4	0	0	0	0	112	I15 W45 F46	I15-S42 WeakPolarHBondContact CG2-OG 3.21Å; S42-W45 WeakPolarHBondContact O-CB 3.46Å; S42-W45 PolarHBondContact O-N 2.91Å; S42-F46 WeakPolarHBondContact O-CD2 3.04Å; S42-F46 PolarHBondContact O-N 3.34Å
43	K	89.9	Confident	86.6	Confident	118 Å²	118	71.7 Å²	71.7	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-38.7	176.2	-64.5	-174.1	-179.6	-177.3	0	112.6	S12 S41 W45 S47	S12-K43 VanDerWaalsContact OG-CE 3.27Å; S12-K43 WeakPolarHBondContact OG-CE 3.47Å; S41-K43 PolarHBondContact O-N 3.21Å; K43-W45 VanDerWaalsContact C-N 3.31Å; K43-S47 WeakPolarHBondContact O-CB 3.3Å; K43-S47 PolarHBondContact O-N 2.93Å; K43-S47 PolarHBondContact O-OG 2.95Å
44	E	90.1	Very high	87	Confident	85 Å²	85	68.7 Å²	68.7	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-36	173.9	-66	-175.7	134.1	0	0	111.2	I39 T40 S41 S47 Y48	I39-E44 HydrophobicContact CG2-CB 4.26Å; T40-E44 WeakPolarHBondContact CA-OE2 3.42Å; T40-E44 PolarHBondContact N-OE2 3.25Å; T40-E44 PolarHBondContact OG1-OE2 3.08Å; S41-E44 PolarHBondContact N-OE2 2.83Å; S41-E44 WeakPolarHBondContact O-CB 3.36Å; S41-E44 PolarHBondContact O-N 3.3Å; E44-S47 PolarHBondContact O-N 3.38Å; E44-Y48 WeakPolarHBondContact O-CB 3.49Å; E44-Y48 PolarHBondContact O-N 2.96Å
45	W	90.1	Very high	87.5	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-50.7	175.3	-175.2	68	0	0	0	111.4	L20 L23 I39 S41 S42 K43 S47 Y48 L49 I63 I66 F67	L20-W45 HydrophobicContact CD1-CB 3.95Å; L20-W45 HydrophobicContact CD1-CG 4.25Å; L23-W45 HydrophobicContact CB-CH2 4.39Å; L23-W45 HydrophobicContact CB-CZ2 4.1Å; L23-W45 HydrophobicContact CD1-CE3 4.31Å; L23-W45 HydrophobicContact CD1-CH2 4.31Å; L23-W45 HydrophobicContact CD1-CZ3 4.07Å; L23-W45 HydrophobicContact CD2-CH2 4.21Å; I39-W45 HydrophobicContact CG2-CB 3.61Å; I39-W45 HydrophobicContact CG2-CG 4.38Å; S41-W45 PolarHBondContact O-N 3.34Å; S42-W45 WeakPolarHBondContact O-CB 3.46Å; S42-W45 PolarHBondContact O-N 2.91Å; K43-W45 VanDerWaalsContact C-N 3.31Å; W45-S47 PolarHBondContact O-N 3.18Å; W45-Y48 WeakPolarHBondContact O-CB 3.06Å; W45-Y48 PolarHBondContact O-N 2.84Å; W45-L49 HydrophobicContact CD2-CD1 4.05Å; W45-L49 HydrophobicContact CE3-CD1 4.18Å; W45-L49 HydrophobicContact CH2-CD1 3.87Å; W45-L49 HydrophobicContact CZ2-CD1 3.69Å; W45-L49 HydrophobicContact CZ3-CD1 4.11Å; W45-L49 WeakPolarHBondContact O-CG 3.45Å; W45-L49 PolarHBondContact O-N 2.85Å; W45-I63 HydrophobicContact CH2-CG2 4.17Å; W45-I63 HydrophobicContact CZ3-CG2 4.43Å; W45-I66 HydrophobicContact CH2-CB 4.44Å; W45-I66 HydrophobicContact CH2-CG2 4Å; W45-I66 HydrophobicContact CZ2-CB 4.5Å; W45-I66 HydrophobicContact CZ2-CG2 3.9Å; W45-F67 HydrophobicContact CH2-CE1 4.14Å; W45-F67 HydrophobicContact CZ3-CE1 4.04Å; W45-F67 HydrophobicContact CZ3-CZ 4.22Å
46	F	90.9	Very high	87.8	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-46	175.1	-68.1	-58.4	0	0	0	111.9	L8 L11 I15 S42 Y48 L49 E50 L55 F67	L8-F46 HydrophobicContact CD1-CB 4.31Å; L8-F46 HydrophobicContact CD2-CB 4.37Å; L8-F46 HydrophobicContact CD2-CD1 3.74Å; L8-F46 HydrophobicContact CD2-CD2 4.36Å; L8-F46 HydrophobicContact CD2-CE1 4.03Å; L8-F46 HydrophobicContact CD2-CG 3.92Å; L8-F46 HydrophobicContact CD2-CZ 4.47Å; L11-F46 HydrophobicContact CB-CE2 4.11Å; L11-F46 HydrophobicContact CB-CZ 3.83Å; L11-F46 HydrophobicContact CD1-CE1 4.47Å; L11-F46 HydrophobicContact CD1-CZ 4.13Å; I15-F46 HydrophobicContact CD1-CE2 3.94Å; I15-F46 HydrophobicContact CD1-CZ 3.74Å; S42-F46 WeakPolarHBondContact O-CD2 3.04Å; S42-F46 PolarHBondContact O-N 3.34Å; F46-Y48 PolarHBondContact O-N 3.26Å; F46-L49 PolarHBondContact O-N 3.39Å; F46-L49 VanDerWaalsContact O-N 3.07Å; F46-E50 WeakPolarHBondContact O-CG 3.41Å; F46-E50 PolarHBondContact O-N 3.13Å; F46-L55 HydrophobicContact CB-CD2 4.18Å; F46-L55 HydrophobicContact CD1-CD2 3.7Å; F46-L55 HydrophobicContact CG-CD2 4.41Å; F46-F67 HydrophobicContact CE1-CZ 4.26Å; F46-F67 HydrophobicContact CZ-CZ 4.2Å
47	S	89.7	Confident	88	Confident	52 Å²	52	63 Å²	63	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-33.8	178.3	-59.4	0	0	0	0	112.4	K43 E44 W45 K51	K43-S47 WeakPolarHBondContact O-CB 3.3Å; K43-S47 PolarHBondContact O-N 2.93Å; K43-S47 PolarHBondContact O-OG 2.95Å; E44-S47 PolarHBondContact O-N 3.38Å; W45-S47 PolarHBondContact O-N 3.18Å; S47-K51 WeakPolarHBondContact O-CG 3.48Å; S47-K51 PolarHBondContact O-N 2.91Å; S47-K51 VanDerWaalsContact O-N 3.17Å
48	Y	89.7	Confident	88.1	Confident	31 Å²	31	63.8 Å²	63.8	12%	0.122	33%	0.331	C	S	.	.	H	α-helix	trans	-68	-46	174.6	178.1	-93.2	0	0	0	110.9	I31 Q35 I39 E44 W45 F46 E50 K51 N52	I31-Y48 HydrophobicContact CB-CE1 4.32Å; I31-Y48 HydrophobicContact CD1-CD1 4Å; I31-Y48 HydrophobicContact CD1-CE1 3.79Å; I31-Y48 HydrophobicContact CG1-CE1 3.89Å; I31-Y48 HydrophobicContact CG2-CD1 4.41Å; I31-Y48 HydrophobicContact CG2-CE1 3.58Å; Q35-Y48 HydrophobicContact CB-CD2 4.41Å; Q35-Y48 HydrophobicContact CB-CE1 4.48Å; Q35-Y48 HydrophobicContact CB-CE2 3.56Å; Q35-Y48 WeakPolarHBondContact CB-OH 3.35Å; Q35-Y48 HydrophobicContact CG-CE2 3.67Å; Q35-Y48 WeakPolarHBondContact CG-OH 3.36Å; Q35-Y48 VanDerWaalsContact OE1-CE2 3.3Å; I39-Y48 HydrophobicContact CD1-CD1 4.05Å; I39-Y48 HydrophobicContact CD1-CD2 4.44Å; I39-Y48 HydrophobicContact CD1-CG 3.85Å; E44-Y48 WeakPolarHBondContact O-CB 3.49Å; E44-Y48 PolarHBondContact O-N 2.96Å; W45-Y48 WeakPolarHBondContact O-CB 3.06Å; W45-Y48 PolarHBondContact O-N 2.84Å; F46-Y48 PolarHBondContact O-N 3.26Å; Y48-E50 VanDerWaalsContact C-N 3.27Å; Y48-E50 PolarHBondContact O-N 3.37Å; Y48-K51 PolarHBondContact O-N 3.36Å; Y48-N52 WeakPolarHBondContact CD2-ND2 3.3Å; Y48-N52 WeakPolarHBondContact CE1-ND2 3.37Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.43Å; Y48-N52 PolarHBondContact O-N 2.79Å; Y48-N52 VanDerWaalsContact O-N 3.16Å; Y48-N52 PolarHBondContact O-ND2 3.34Å
49	L	89.8	Confident	88.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-37.9	177.7	-64.6	176.6	0	0	0	112.3	I31 W45 F46 N52 D53 K54 L55 Y62 I63	I31-L49 HydrophobicContact CD1-CD2 3.92Å; W45-L49 HydrophobicContact CD2-CD1 4.05Å; W45-L49 HydrophobicContact CE3-CD1 4.18Å; W45-L49 HydrophobicContact CH2-CD1 3.87Å; W45-L49 HydrophobicContact CZ2-CD1 3.69Å; W45-L49 HydrophobicContact CZ3-CD1 4.11Å; W45-L49 WeakPolarHBondContact O-CG 3.45Å; W45-L49 PolarHBondContact O-N 2.85Å; F46-L49 PolarHBondContact O-N 3.39Å; F46-L49 VanDerWaalsContact O-N 3.07Å; L49-N52 PolarHBondContact O-N 3.04Å; L49-D53 PolarHBondContact O-N 2.93Å; L49-K54 HydrophobicContact CB-CB 4.31Å; L49-K54 HydrophobicContact CD2-CB 3.98Å; L49-K54 PolarHBondContact O-N 3.31Å; L49-L55 HydrophobicContact CB-CB 3.47Å; L49-L55 VanDerWaalsContact CB-CB 3.47Å; L49-L55 HydrophobicContact CB-CD2 4.06Å; L49-L55 HydrophobicContact CB-CG 4.44Å; L49-L55 HydrophobicContact CD1-CB 4.47Å; L49-L55 HydrophobicContact CD1-CD2 4.34Å; L49-L55 PolarHBondContact O-N 3.21Å; L49-Y62 HydrophobicContact CD1-CD1 4.33Å; L49-Y62 HydrophobicContact CD1-CE1 4.39Å; L49-Y62 HydrophobicContact CD2-CD1 3.94Å; L49-Y62 HydrophobicContact CD2-CE1 3.5Å; L49-Y62 VanDerWaalsContact CD2-CE1 3.5Å; L49-I63 HydrophobicContact CD1-CG2 3.54Å
50	E	90.3	Very high	88.2	Confident	78 Å²	78	60.9 Å²	60.9	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-43.5	174.5	-68	-179.3	132.6	0	0	112.3	Y4 F46 Y48 N52 D53 L55	Y4-E50 WeakPolarHBondContact CE1-OE1 3.11Å; Y4-E50 VanDerWaalsContact CZ-OE1 3.3Å; Y4-E50 PolarHBondContact OH-OE1 3.08Å; F46-E50 WeakPolarHBondContact O-CG 3.41Å; F46-E50 PolarHBondContact O-N 3.13Å; Y48-E50 VanDerWaalsContact C-N 3.27Å; Y48-E50 PolarHBondContact O-N 3.37Å; E50-N52 PolarHBondContact O-N 3.35Å; E50-D53 PolarHBondContact O-N 2.97Å; E50-L55 WeakPolarHBondContact CA-O 3.46Å; E50-L55 HydrophobicContact CG-CB 4.35Å; E50-L55 HydrophobicContact CG-CD2 4.13Å; E50-L55 HydrophobicContact CG-CG 4.21Å
51	K	88.9	Confident	88.3	Confident	173 Å²	173	59.9 Å²	59.9	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-66.3	-20.5	177.7	-75.4	175.7	-178.4	175.9	0	114.1	S47 Y48	S47-K51 WeakPolarHBondContact O-CG 3.48Å; S47-K51 PolarHBondContact O-N 2.91Å; S47-K51 VanDerWaalsContact O-N 3.17Å; Y48-K51 PolarHBondContact O-N 3.36Å
52	N	87.4	Confident	88.3	Confident	73 Å²	73	58.7 Å²	58.7	39%	0.39	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	14.1	-178.9	-70.6	-92	0	0	0	112.4	Y48 L49 E50 K54	Y48-N52 WeakPolarHBondContact CD2-ND2 3.3Å; Y48-N52 WeakPolarHBondContact CE1-ND2 3.37Å; Y48-N52 WeakPolarHBondContact CE2-ND2 3.43Å; Y48-N52 PolarHBondContact O-N 2.79Å; Y48-N52 VanDerWaalsContact O-N 3.16Å; Y48-N52 PolarHBondContact O-ND2 3.34Å; L49-N52 PolarHBondContact O-N 3.04Å; E50-N52 PolarHBondContact O-N 3.35Å; N52-K54 HydrophobicContact CB-CG 4.25Å; N52-K54 PolarHBondContact O-N 3.38Å
53	D	86.7	Confident	88.3	Confident	145 Å²	145	58.2 Å²	58.2	78%	0.775	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	19.3	-177.6	-66.5	-79.4	0	0	0	113.9	L49 E50	L49-D53 PolarHBondContact O-N 2.93Å; E50-D53 PolarHBondContact O-N 2.97Å
54	K	87.2	Confident	88.3	Confident	71 Å²	71	54 Å²	54	31%	0.309	28%	0.279	S	S	.	.	S	Bend	trans	-86.5	-21.3	176.9	-69.2	-74	-174.2	160.9	0	111.6	D30 L49 N52 Y62	D30-K54 IonicContact OD1-NZ 3.18Å; D30-K54 PolarHBondContact OD1-NZ 3Å; L49-K54 HydrophobicContact CB-CB 4.31Å; L49-K54 HydrophobicContact CD2-CB 3.98Å; L49-K54 PolarHBondContact O-N 3.31Å; N52-K54 HydrophobicContact CB-CG 4.25Å; N52-K54 PolarHBondContact O-N 3.38Å; K54-Y62 HydrophobicContact CB-CD1 4.01Å; K54-Y62 HydrophobicContact CB-CE1 4.35Å; K54-Y62 HydrophobicContact CB-CG 4.18Å; K54-Y62 HydrophobicContact CD-CD2 3.94Å; K54-Y62 HydrophobicContact CD-CE2 3.96Å; K54-Y62 HydrophobicContact CD-CG 4.3Å; K54-Y62 WeakPolarHBondContact O-CB 3.06Å
55	L	90.2	Very high	88.3	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.281	C	S	.	.			trans	-135.8	129.8	179.8	177	64.3	0	0	0	109.8	Y4 L8 F46 L49 E50 L60 I63	Y4-L55 WeakPolarHBondContact OH-CG 3.48Å; L8-L55 HydrophobicContact CD2-CD2 4.18Å; F46-L55 HydrophobicContact CB-CD2 4.18Å; F46-L55 HydrophobicContact CD1-CD2 3.7Å; F46-L55 HydrophobicContact CG-CD2 4.41Å; L49-L55 HydrophobicContact CB-CB 3.47Å; L49-L55 VanDerWaalsContact CB-CB 3.47Å; L49-L55 HydrophobicContact CB-CD2 4.06Å; L49-L55 HydrophobicContact CB-CG 4.44Å; L49-L55 HydrophobicContact CD1-CB 4.47Å; L49-L55 HydrophobicContact CD1-CD2 4.34Å; L49-L55 PolarHBondContact O-N 3.21Å; E50-L55 WeakPolarHBondContact CA-O 3.46Å; E50-L55 HydrophobicContact CG-CB 4.35Å; E50-L55 HydrophobicContact CG-CD2 4.13Å; E50-L55 HydrophobicContact CG-CG 4.21Å; L55-L60 HydrophobicContact CD1-CD2 3.93Å; L55-I63 HydrophobicContact CD1-CB 4.48Å; L55-I63 HydrophobicContact CD1-CD1 3.71Å; L55-I63 HydrophobicContact CD1-CG1 3.89Å; L55-I63 HydrophobicContact CD1-CG2 3.79Å; L55-I63 HydrophobicContact CD2-CG2 4.2Å; L55-I63 HydrophobicContact CG-CG2 4.42Å
56	A	87.3	Confident	88.3	Confident	31 Å²	31	54.6 Å²	54.6	26%	0.256	28%	0.281	S	S	.	.			trans	-145.8	168.1	173	0	0	0	0	0	110.2	D58 N59	A56-D58 WeakPolarHBondContact CB-OD1 3.4Å; A56-D58 PolarHBondContact O-N 3.3Å; A56-N59 HydrophobicContact CB-CB 4.11Å; A56-N59 PolarHBondContact N-O 3.35Å; A56-N59 CarbonylContact O-C 3.28Å; A56-N59 VanDerWaalsContact O-C 3.28Å; A56-N59 PolarHBondContact O-N 3.29Å; A56-N59 VanDerWaalsContact O-N 3.1Å; A56-N59 VanDerWaalsContact O-O 3.09Å
57	Q	84.3	Confident	88.2	Confident	66 Å²	66	54.4 Å²	54.4	31%	0.308	28%	0.281	S	S	.	.	S	Bend	trans	-58	-35.9	177.3	179.6	-178.8	-47.6	0	0	112.2	Y4	Y4-Q57 HydrophobicContact CD1-CB 4.46Å; Y4-Q57 HydrophobicContact CD2-CB 4.17Å; Y4-Q57 HydrophobicContact CD2-CG 4.38Å; Y4-Q57 HydrophobicContact CG-CB 4.09Å; Y4-Q57 HydrophobicContact CG-CG 4.18Å
58	D	81.8	Confident	88.1	Confident	130 Å²	130	57.6 Å²	57.6	70%	0.695	29%	0.29	S	S	*	.	S	Bend	trans	-91.5	-16.3	177.7	58.8	-57.6	0	0	0	113	A56	A56-D58 WeakPolarHBondContact CB-OD1 3.4Å; A56-D58 PolarHBondContact O-N 3.3Å
59	N	84.5	Confident	88.1	Confident	56 Å²	56	60 Å²	60	30%	0.299	30%	0.304	S	S	.	.			trans	-124.6	92.3	-178.2	-172.5	14	0	0	0	112.4	A56 S61	A56-N59 HydrophobicContact CB-CB 4.11Å; A56-N59 PolarHBondContact N-O 3.35Å; A56-N59 CarbonylContact O-C 3.28Å; A56-N59 VanDerWaalsContact O-C 3.28Å; A56-N59 PolarHBondContact O-N 3.29Å; A56-N59 VanDerWaalsContact O-N 3.1Å; A56-N59 VanDerWaalsContact O-O 3.09Å; N59-S61 WeakPolarHBondContact OD1-CB 3.24Å; N59-S61 PolarHBondContact OD1-N 2.98Å; N59-S61 PolarHBondContact OD1-OG 2.91Å; N59-S61 VanDerWaalsContact OD1-OG 3.08Å
60	L	88.3	Confident	87.9	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	31%	0.307	C	S	.	.			trans	-100.8	-0.7	175.7	-58.8	160.4	0	0	0	112.3	Y4 L7 L55 Y62 I63 E64 V79 Y82 R83 L87	Y4-L60 HydrophobicContact CD2-CD2 4.46Å; Y4-L60 HydrophobicContact CE2-CD2 4.07Å; L7-L60 HydrophobicContact CD2-CD2 4.47Å; L55-L60 HydrophobicContact CD1-CD2 3.93Å; L60-Y62 VanDerWaalsContact C-N 3.25Å; L60-Y62 PolarHBondContact O-N 3.38Å; L60-I63 HydrophobicContact CB-CD1 4.43Å; L60-I63 HydrophobicContact CB-CG1 4.27Å; L60-I63 HydrophobicContact CD2-CD1 3.83Å; L60-I63 HydrophobicContact CD2-CG1 4.47Å; L60-I63 WeakPolarHBondContact O-CG1 3.32Å; L60-I63 PolarHBondContact O-N 3.18Å; L60-E64 WeakPolarHBondContact O-CG 3.38Å; L60-E64 PolarHBondContact O-N 3.33Å; L60-E64 VanDerWaalsContact O-N 3.07Å; L60-V79 HydrophobicContact CB-CG1 3.89Å; L60-V79 HydrophobicContact CD1-CG1 4.17Å; L60-V79 HydrophobicContact CG-CG1 4.42Å; L60-Y82 HydrophobicContact CD1-CD1 3.65Å; L60-Y82 HydrophobicContact CD1-CE1 3.96Å; L60-R83 HydrophobicContact CD1-CB 4.44Å; L60-L87 HydrophobicContact CD1-CD1 4.39Å
61	S	87.5	Confident	87.8	Confident	75 Å²	75	66.7 Å²	66.7	52%	0.524	33%	0.327	S	S	.	.	H	α-helix	trans	-58.7	-36.8	-170	-45.1	0	0	0	0	112.8	N59 H65	N59-S61 WeakPolarHBondContact OD1-CB 3.24Å; N59-S61 PolarHBondContact OD1-N 2.98Å; N59-S61 PolarHBondContact OD1-OG 2.91Å; N59-S61 VanDerWaalsContact OD1-OG 3.08Å; S61-H65 PolarHBondContact O-N 2.95Å
62	Y	89.6	Confident	87.7	Confident	26 Å²	26	60 Å²	60	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-49.6	-179.7	-175	-98.2	0	0	0	111.6	D30 L49 K54 L60 E64 H65 I66	D30-Y62 HydrophobicContact CB-CE2 4.29Å; D30-Y62 WeakPolarHBondContact CB-OH 3.47Å; L49-Y62 HydrophobicContact CD1-CD1 4.33Å; L49-Y62 HydrophobicContact CD1-CE1 4.39Å; L49-Y62 HydrophobicContact CD2-CD1 3.94Å; L49-Y62 HydrophobicContact CD2-CE1 3.5Å; L49-Y62 VanDerWaalsContact CD2-CE1 3.5Å; K54-Y62 HydrophobicContact CB-CD1 4.01Å; K54-Y62 HydrophobicContact CB-CE1 4.35Å; K54-Y62 HydrophobicContact CB-CG 4.18Å; K54-Y62 HydrophobicContact CD-CD2 3.94Å; K54-Y62 HydrophobicContact CD-CE2 3.96Å; K54-Y62 HydrophobicContact CD-CG 4.3Å; K54-Y62 WeakPolarHBondContact O-CB 3.06Å; L60-Y62 VanDerWaalsContact C-N 3.25Å; L60-Y62 PolarHBondContact O-N 3.38Å; Y62-E64 VanDerWaalsContact C-N 3.28Å; Y62-E64 PolarHBondContact O-N 3.18Å; Y62-H65 WeakPolarHBondContact O-CB 3.36Å; Y62-H65 PolarHBondContact O-N 3.4Å; Y62-H65 VanDerWaalsContact O-N 3.14Å; Y62-I66 HydrophobicContact CD1-CG1 4.16Å; Y62-I66 HydrophobicContact CE1-CD1 4.27Å; Y62-I66 HydrophobicContact CE1-CG1 3.78Å; Y62-I66 WeakPolarHBondContact O-CG1 3.44Å; Y62-I66 PolarHBondContact O-N 3.28Å
63	I	89.6	Confident	87.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-31.3	179.7	60	163.4	0	0	0	112.2	W45 L49 L55 L60 H65 I66 F67 V79	W45-I63 HydrophobicContact CH2-CG2 4.17Å; W45-I63 HydrophobicContact CZ3-CG2 4.43Å; L49-I63 HydrophobicContact CD1-CG2 3.54Å; L55-I63 HydrophobicContact CD1-CB 4.48Å; L55-I63 HydrophobicContact CD1-CD1 3.71Å; L55-I63 HydrophobicContact CD1-CG1 3.89Å; L55-I63 HydrophobicContact CD1-CG2 3.79Å; L55-I63 HydrophobicContact CD2-CG2 4.2Å; L55-I63 HydrophobicContact CG-CG2 4.42Å; L60-I63 HydrophobicContact CB-CD1 4.43Å; L60-I63 HydrophobicContact CB-CG1 4.27Å; L60-I63 HydrophobicContact CD2-CD1 3.83Å; L60-I63 HydrophobicContact CD2-CG1 4.47Å; L60-I63 WeakPolarHBondContact O-CG1 3.32Å; L60-I63 PolarHBondContact O-N 3.18Å; I63-H65 VanDerWaalsContact C-N 3.35Å; I63-I66 PolarHBondContact O-N 3.12Å; I63-F67 HydrophobicContact CB-CE2 4.33Å; I63-F67 HydrophobicContact CD1-CE2 4.32Å; I63-F67 WeakPolarHBondContact O-CD2 3.38Å; I63-F67 VanDerWaalsContact O-CG 3.24Å; I63-F67 WeakPolarHBondContact O-CG 3.44Å; I63-F67 PolarHBondContact O-N 2.84Å; I63-V79 HydrophobicContact CD1-CG1 4.19Å; I63-V79 HydrophobicContact CD1-CG2 3.94Å; I63-V79 HydrophobicContact CG1-CG1 4.49Å
64	E	89.9	Confident	87.9	Confident	28 Å²	28	57.4 Å²	57.4	13%	0.131	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-46.9	171.8	-72.9	178.9	-171.5	0	0	111.1	L60 Y62 I66 F67 E68 L76 V79 R83	L60-E64 WeakPolarHBondContact O-CG 3.38Å; L60-E64 PolarHBondContact O-N 3.33Å; L60-E64 VanDerWaalsContact O-N 3.07Å; Y62-E64 VanDerWaalsContact C-N 3.28Å; Y62-E64 PolarHBondContact O-N 3.18Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.16Å; E64-F67 PolarHBondContact O-N 2.84Å; E64-E68 WeakPolarHBondContact O-CB 3.38Å; E64-E68 PolarHBondContact O-N 3.3Å; E64-L76 HydrophobicContact CB-CD1 3.78Å; E64-L76 HydrophobicContact CG-CD1 3.99Å; E64-L76 WeakPolarHBondContact O-CD1 3.42Å; E64-V79 HydrophobicContact CG-CB 4.37Å; E64-V79 HydrophobicContact CG-CG1 3.6Å; E64-R83 IonicContact OE1-CZ 3.14Å; E64-R83 IonicContact OE1-NE 3.08Å; E64-R83 IonicContact OE1-NH1 3.38Å; E64-R83 PolarHBondContact OE1-NH1 3.3Å; E64-R83 IonicContact OE2-CZ 2.73Å; E64-R83 IonicContact OE2-NH1 2.65Å; E64-R83 PolarHBondContact OE2-NH1 3.31Å
65	H	89.8	Confident	88	Confident	98 Å²	98	54.2 Å²	54.2	45%	0.454	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-42.4	177.7	-173.9	53.1	0	0	0	111.9	S61 Y62 I63 E68 I69	S61-H65 PolarHBondContact O-N 2.95Å; Y62-H65 WeakPolarHBondContact O-CB 3.36Å; Y62-H65 PolarHBondContact O-N 3.4Å; Y62-H65 VanDerWaalsContact O-N 3.14Å; I63-H65 VanDerWaalsContact C-N 3.35Å; H65-E68 WeakPolarHBondContact O-CB 3.48Å; H65-E68 PolarHBondContact O-N 3.18Å; H65-I69 VanDerWaalsContact NE2-CD1 3.32Å; H65-I69 WeakPolarHBondContact NE2-CD1 3.45Å; H65-I69 WeakPolarHBondContact O-CG1 3.48Å; H65-I69 PolarHBondContact O-N 2.92Å
66	I	89.9	Confident	88	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-45	177.4	-62.2	-56.5	0	0	0	111.1	L23 A26 C27 W45 Y62 I63 E64 E68 I69 S70	L23-I66 HydrophobicContact CB-CG2 4.42Å; L23-I66 HydrophobicContact CD2-CG2 3.61Å; A26-I66 HydrophobicContact CB-CD1 4.35Å; A26-I66 HydrophobicContact CB-CG2 4.11Å; C27-I66 VanDerWaalsContact SG-CD1 3.56Å; W45-I66 HydrophobicContact CH2-CB 4.44Å; W45-I66 HydrophobicContact CH2-CG2 4Å; W45-I66 HydrophobicContact CZ2-CB 4.5Å; W45-I66 HydrophobicContact CZ2-CG2 3.9Å; Y62-I66 HydrophobicContact CD1-CG1 4.16Å; Y62-I66 HydrophobicContact CE1-CD1 4.27Å; Y62-I66 HydrophobicContact CE1-CG1 3.78Å; Y62-I66 WeakPolarHBondContact O-CG1 3.44Å; Y62-I66 PolarHBondContact O-N 3.28Å; I63-I66 PolarHBondContact O-N 3.12Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.16Å; I66-E68 VanDerWaalsContact C-N 3.27Å; I66-E68 PolarHBondContact O-N 2.91Å; I66-I69 PolarHBondContact O-N 3.46Å; I66-S70 WeakPolarHBondContact O-CB 3.31Å; I66-S70 PolarHBondContact O-N 3.28Å; I66-S70 PolarHBondContact O-OG 2.8Å
67	F	89.9	Confident	88.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-31.3	177.1	-64.7	-27.8	0	0	0	113.1	L11 I15 L23 W45 F46 I63 E64 R71 R72 L75 L76 V79	L11-F67 HydrophobicContact CD1-CE2 4.23Å; L11-F67 HydrophobicContact CD1-CZ 4.49Å; L11-F67 HydrophobicContact CD2-CE2 4.26Å; I15-F67 HydrophobicContact CD1-CE1 4.4Å; I15-F67 HydrophobicContact CD1-CZ 4.43Å; L23-F67 HydrophobicContact CD1-CE1 4.12Å; L23-F67 HydrophobicContact CD2-CD1 3.53Å; L23-F67 HydrophobicContact CD2-CE1 3.61Å; W45-F67 HydrophobicContact CH2-CE1 4.14Å; W45-F67 HydrophobicContact CZ3-CE1 4.04Å; W45-F67 HydrophobicContact CZ3-CZ 4.22Å; F46-F67 HydrophobicContact CE1-CZ 4.26Å; F46-F67 HydrophobicContact CZ-CZ 4.2Å; I63-F67 HydrophobicContact CB-CE2 4.33Å; I63-F67 HydrophobicContact CD1-CE2 4.32Å; I63-F67 WeakPolarHBondContact O-CD2 3.38Å; I63-F67 VanDerWaalsContact O-CG 3.24Å; I63-F67 WeakPolarHBondContact O-CG 3.44Å; I63-F67 PolarHBondContact O-N 2.84Å; E64-F67 PolarHBondContact O-N 2.84Å; F67-R71 PolarHBondContact O-N 2.96Å; F67-R72 PolarHBondContact O-N 3.06Å; F67-L75 HydrophobicContact CD1-CB 4.16Å; F67-L75 HydrophobicContact CD1-CD1 3.98Å; F67-L75 HydrophobicContact CD2-CB 3.86Å; F67-L75 HydrophobicContact CE1-CB 4.31Å; F67-L75 HydrophobicContact CE1-CD1 3.81Å; F67-L75 HydrophobicContact CE2-CB 4.01Å; F67-L75 HydrophobicContact CG-CB 3.94Å; F67-L75 HydrophobicContact CZ-CB 4.24Å; F67-L75 HydrophobicContact CZ-CD1 4.27Å; F67-L76 HydrophobicContact CB-CB 4.1Å; F67-L76 HydrophobicContact CB-CD1 4.39Å; F67-V79 HydrophobicContact CD2-CG2 3.9Å; F67-V79 HydrophobicContact CE2-CG2 3.62Å
68	E	88.1	Confident	88.3	Confident	120 Å²	120	59.5 Å²	59.5	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-66	-45.9	172.3	-173.2	173.9	-162.8	0	0	111.9	E64 H65 I66 R71 L76	E64-E68 WeakPolarHBondContact O-CB 3.38Å; E64-E68 PolarHBondContact O-N 3.3Å; H65-E68 WeakPolarHBondContact O-CB 3.48Å; H65-E68 PolarHBondContact O-N 3.18Å; I66-E68 VanDerWaalsContact C-N 3.27Å; I66-E68 PolarHBondContact O-N 2.91Å; E68-R71 PolarHBondContact O-N 3.44Å; E68-L76 HydrophobicContact CB-CD2 4.42Å
69	I	88.8	Confident	88.6	Confident	82 Å²	82	53.3 Å²	53.3	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-44.6	177.2	-67	167.3	0	0	0	111	A26 H65 I66 R71	A26-I69 HydrophobicContact CB-CB 4.34Å; A26-I69 HydrophobicContact CB-CG2 3.84Å; H65-I69 VanDerWaalsContact NE2-CD1 3.32Å; H65-I69 WeakPolarHBondContact NE2-CD1 3.45Å; H65-I69 WeakPolarHBondContact O-CG1 3.48Å; H65-I69 PolarHBondContact O-N 2.92Å; I66-I69 PolarHBondContact O-N 3.46Å; I69-R71 PolarHBondContact O-N 3.37Å; I69-R71 VanDerWaalsContact O-N 3.11Å
70	S	86.3	Confident	88.7	Confident	7 Å²	7	53.9 Å²	53.9	5%	0.049	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	4.6	179	-61.1	0	0	0	0	113.6	Q22 I66 R72	Q22-S70 PolarHBondContact OE1-O 2.99Å; I66-S70 WeakPolarHBondContact O-CB 3.31Å; I66-S70 PolarHBondContact O-N 3.28Å; I66-S70 PolarHBondContact O-OG 2.8Å; S70-R72 PolarHBondContact O-N 3.46Å
71	R	87.6	Confident	88.6	Confident	210 Å²	210	58 Å²	58	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	38.1	176.7	-56.3	-60.9	-170.6	179.8	-1	113.2	F67 E68 I69 P73	F67-R71 PolarHBondContact O-N 2.96Å; E68-R71 PolarHBondContact O-N 3.44Å; I69-R71 PolarHBondContact O-N 3.37Å; I69-R71 VanDerWaalsContact O-N 3.11Å; R71-P73 WeakPolarHBondContact O-CD 3.36Å
72	R	86.8	Confident	88.5	Confident	34 Å²	34	55 Å²	55	13%	0.128	26%	0.26	C	S	.	.			trans	-108	74.9	175.6	-75.5	-66.6	-60	-95.6	-1.4	111.2	N14 D19 F67 S70 D74 L75 L76	N14-R72 PolarHBondContact O-NH2 3.49Å; D19-R72 IonicContact OD1-CZ 3.8Å; D19-R72 IonicContact OD1-NH1 2.69Å; D19-R72 PolarHBondContact OD1-NH1 3.26Å; D19-R72 IonicContact OD2-CZ 2.69Å; D19-R72 IonicContact OD2-NH1 3.47Å; D19-R72 PolarHBondContact OD2-NH1 3.37Å; F67-R72 PolarHBondContact O-N 3.06Å; S70-R72 PolarHBondContact O-N 3.46Å; R72-D74 VanDerWaalsContact C-OD1 3.27Å; R72-D74 WeakPolarHBondContact CA-OD1 3.37Å; R72-D74 WeakPolarHBondContact CD-OD1 3.48Å; R72-D74 IonicContact CZ-OD1 3.86Å; R72-D74 IonicContact CZ-OD2 3.83Å; R72-D74 VanDerWaalsContact NE-CG 3.3Å; R72-D74 IonicContact NE-OD1 2.74Å; R72-D74 PolarHBondContact NE-OD1 2.67Å; R72-D74 IonicContact NE-OD2 3.92Å; R72-D74 PolarHBondContact NE-OD2 2.8Å; R72-D74 IonicContact NH2-OD2 2.84Å; R72-D74 PolarHBondContact NH2-OD2 3.42Å; R72-D74 PolarHBondContact O-N 3.32Å; R72-L75 HydrophobicContact CB-CB 4.18Å; R72-L75 HydrophobicContact CB-CD1 3.85Å; R72-L75 HydrophobicContact CB-CG 4.05Å; R72-L75 HydrophobicContact CG-CD1 4.06Å; R72-L75 PolarHBondContact O-N 3.24Å; R72-L76 PolarHBondContact O-N 3.35Å; R72-L76 VanDerWaalsContact O-N 3.09Å
73	P	88.3	Confident	88.2	Confident	86 Å²	86	57.5 Å²	57.5	56%	0.558	27%	0.27	S	S	*	.	H	α-helix	trans	-65	-24.3	-178.4	29	-36.3	0	0	0	112.6	R71 T77	R71-P73 WeakPolarHBondContact O-CD 3.36Å; P73-T77 VanDerWaalsContact O-CB 3.32Å; P73-T77 WeakPolarHBondContact O-CB 3.04Å; P73-T77 PolarHBondContact O-N 3.29Å; P73-T77 PolarHBondContact O-OG1 3.19Å
74	D	89.6	Confident	87.8	Confident	76 Å²	76	60 Å²	60	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-50	174.8	58.2	-55.9	0	0	0	111.8	R72 T77 R78	R72-D74 VanDerWaalsContact C-OD1 3.27Å; R72-D74 WeakPolarHBondContact CA-OD1 3.37Å; R72-D74 WeakPolarHBondContact CD-OD1 3.48Å; R72-D74 IonicContact CZ-OD1 3.86Å; R72-D74 IonicContact CZ-OD2 3.83Å; R72-D74 VanDerWaalsContact NE-CG 3.3Å; R72-D74 IonicContact NE-OD1 2.74Å; R72-D74 PolarHBondContact NE-OD1 2.67Å; R72-D74 IonicContact NE-OD2 3.92Å; R72-D74 PolarHBondContact NE-OD2 2.8Å; R72-D74 IonicContact NH2-OD2 2.84Å; R72-D74 PolarHBondContact NH2-OD2 3.42Å; R72-D74 PolarHBondContact O-N 3.32Å; D74-T77 PolarHBondContact O-N 3.42Å; D74-R78 PolarHBondContact O-N 3.21Å
75	L	89.9	Confident	87.1	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-42.3	175.4	-60.6	178.6	0	0	0	111.1	L11 N14 I15 F67 R72 T77 R78 V79	L11-L75 HydrophobicContact CD2-CB 4.15Å; L11-L75 HydrophobicContact CD2-CD2 3.86Å; N14-L75 HydrophobicContact CB-CD2 3.9Å; I15-L75 HydrophobicContact CD1-CD1 4.16Å; I15-L75 HydrophobicContact CG1-CD1 3.59Å; I15-L75 HydrophobicContact CG1-CD2 4.13Å; F67-L75 HydrophobicContact CD1-CB 4.16Å; F67-L75 HydrophobicContact CD1-CD1 3.98Å; F67-L75 HydrophobicContact CD2-CB 3.86Å; F67-L75 HydrophobicContact CE1-CB 4.31Å; F67-L75 HydrophobicContact CE1-CD1 3.81Å; F67-L75 HydrophobicContact CE2-CB 4.01Å; F67-L75 HydrophobicContact CG-CB 3.94Å; F67-L75 HydrophobicContact CZ-CB 4.24Å; F67-L75 HydrophobicContact CZ-CD1 4.27Å; R72-L75 HydrophobicContact CB-CB 4.18Å; R72-L75 HydrophobicContact CB-CD1 3.85Å; R72-L75 HydrophobicContact CB-CG 4.05Å; R72-L75 HydrophobicContact CG-CD1 4.06Å; R72-L75 PolarHBondContact O-N 3.24Å; L75-T77 VanDerWaalsContact C-N 3.31Å; L75-T77 PolarHBondContact O-N 3.09Å; L75-R78 WeakPolarHBondContact O-CB 3.32Å; L75-R78 PolarHBondContact O-N 2.91Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.27Å; L75-V79 VanDerWaalsContact O-N 3.14Å
76	L	90.1	Very high	86.2	Confident	34 Å²	34	59 Å²	59	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-42.6	177.1	-175.4	62.6	0	0	0	111.8	E64 F67 E68 R72 R78 V79 I80	E64-L76 HydrophobicContact CB-CD1 3.78Å; E64-L76 HydrophobicContact CG-CD1 3.99Å; E64-L76 WeakPolarHBondContact O-CD1 3.42Å; F67-L76 HydrophobicContact CB-CB 4.1Å; F67-L76 HydrophobicContact CB-CD1 4.39Å; E68-L76 HydrophobicContact CB-CD2 4.42Å; R72-L76 PolarHBondContact O-N 3.35Å; R72-L76 VanDerWaalsContact O-N 3.09Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 2.89Å; L76-V79 PolarHBondContact O-N 3.41Å; L76-I80 HydrophobicContact CD1-CD1 4.26Å; L76-I80 HydrophobicContact CG-CD1 3.89Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.36Å; L76-I80 PolarHBondContact O-N 3.11Å
77	T	89.4	Confident	84.9	Confident	70 Å²	70	61 Å²	61	43%	0.429	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-43.4	177.1	-61.2	0	0	0	0	110.8	P73 D74 L75 V79 I80 E81	P73-T77 VanDerWaalsContact O-CB 3.32Å; P73-T77 WeakPolarHBondContact O-CB 3.04Å; P73-T77 PolarHBondContact O-N 3.29Å; P73-T77 PolarHBondContact O-OG1 3.19Å; D74-T77 PolarHBondContact O-N 3.42Å; L75-T77 VanDerWaalsContact C-N 3.31Å; L75-T77 PolarHBondContact O-N 3.09Å; T77-V79 PolarHBondContact O-N 3.22Å; T77-I80 PolarHBondContact O-N 3.14Å; T77-E81 HydrophobicContact CG2-CG 4.3Å; T77-E81 WeakPolarHBondContact O-CB 3.49Å; T77-E81 WeakPolarHBondContact O-CG 3.29Å; T77-E81 PolarHBondContact O-N 3.48Å
78	R	88.8	Confident	83.3	Confident	108 Å²	108	66 Å²	66	41%	0.408	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-42.2	178.3	-150.7	73.8	165.6	154.3	-2.7	112.8	L7 D10 L11 D74 L75 L76 E81 Y82	L7-R78 HydrophobicContact CD1-CG 3.97Å; D10-R78 IonicContact OD1-CZ 2.81Å; D10-R78 IonicContact OD1-NE 2.71Å; D10-R78 IonicContact OD1-NH2 3.94Å; D10-R78 PolarHBondContact OD1-NH2 3.03Å; D10-R78 IonicContact OD2-CZ 2.75Å; D10-R78 IonicContact OD2-NE 3.98Å; D10-R78 PolarHBondContact OD2-NE 3.3Å; D10-R78 IonicContact OD2-NH2 3.65Å; D10-R78 PolarHBondContact OD2-NH2 3.23Å; L11-R78 HydrophobicContact CD2-CB 3.93Å; L11-R78 HydrophobicContact CD2-CG 4.24Å; D74-R78 PolarHBondContact O-N 3.21Å; L75-R78 WeakPolarHBondContact O-CB 3.32Å; L75-R78 PolarHBondContact O-N 2.91Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 2.89Å; R78-E81 IonicContact NH1-OE2 2.98Å; R78-Y82 PolarHBondContact O-N 3.34Å
79	V	88.5	Confident	81.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-43.7	176.2	179.2	0	0	0	0	111.2	L11 L60 I63 E64 F67 L75 L76 T77 Y82 R83	L11-V79 HydrophobicContact CD1-CG2 3.84Å; L11-V79 HydrophobicContact CD2-CG2 4.28Å; L60-V79 HydrophobicContact CB-CG1 3.89Å; L60-V79 HydrophobicContact CD1-CG1 4.17Å; L60-V79 HydrophobicContact CG-CG1 4.42Å; I63-V79 HydrophobicContact CD1-CG1 4.19Å; I63-V79 HydrophobicContact CD1-CG2 3.94Å; I63-V79 HydrophobicContact CG1-CG1 4.49Å; E64-V79 HydrophobicContact CG-CB 4.37Å; E64-V79 HydrophobicContact CG-CG1 3.6Å; F67-V79 HydrophobicContact CD2-CG2 3.9Å; F67-V79 HydrophobicContact CE2-CG2 3.62Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.27Å; L75-V79 VanDerWaalsContact O-N 3.14Å; L76-V79 PolarHBondContact O-N 3.41Å; T77-V79 PolarHBondContact O-N 3.22Å; V79-Y82 PolarHBondContact O-N 2.92Å; V79-R83 WeakPolarHBondContact O-CB 3.25Å; V79-R83 PolarHBondContact O-N 3.04Å
80	I	86.3	Confident	79.5	Confident	68 Å²	68	67.3 Å²	67.3	35%	0.349	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-42.8	177.7	-67.9	168.6	0	0	0	110.8	L76 T77 R83 T84	L76-I80 HydrophobicContact CD1-CD1 4.26Å; L76-I80 HydrophobicContact CG-CD1 3.89Å; L76-I80 VanDerWaalsContact O-CG1 3.3Å; L76-I80 WeakPolarHBondContact O-CG1 3.36Å; L76-I80 PolarHBondContact O-N 3.11Å; T77-I80 PolarHBondContact O-N 3.14Å; I80-R83 PolarHBondContact O-N 3.31Å; I80-T84 HydrophobicContact CG2-CG2 4.27Å; I80-T84 WeakPolarHBondContact O-CB 3.4Å; I80-T84 WeakPolarHBondContact O-CG2 3.2Å; I80-T84 PolarHBondContact O-N 2.83Å; I80-T84 PolarHBondContact O-OG1 3.35Å
81	E	86.8	Confident	77.6	Confident	90 Å²	90	70.3 Å²	70.3	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-55.4	-53	174.5	-79.4	178.1	171.3	0	0	110	T77 R78 R83 T84 T85	T77-E81 HydrophobicContact CG2-CG 4.3Å; T77-E81 WeakPolarHBondContact O-CB 3.49Å; T77-E81 WeakPolarHBondContact O-CG 3.29Å; T77-E81 PolarHBondContact O-N 3.48Å; R78-E81 IonicContact NH1-OE2 2.98Å; E81-R83 PolarHBondContact O-N 2.79Å; E81-T84 CarbonylContact O-C 3.59Å; E81-T84 PolarHBondContact O-N 2.87Å; E81-T84 VanDerWaalsContact O-N 3.13Å; E81-T84 PolarHBondContact O-OG1 3.38Å; E81-T85 WeakPolarHBondContact O-CB 3.05Å; E81-T85 WeakPolarHBondContact O-CG2 3.39Å; E81-T85 PolarHBondContact O-N 2.83Å; E81-T85 PolarHBondContact O-OG1 3.25Å
82	Y	85.4	Confident	75.5	Confident	13 Å²	13	67.4 Å²	67.4	5%	0.051	35%	0.351	C	S	.	.	H	α-helix	trans	-55.9	-46.7	176	177.3	-91.6	0	0	0	113	E3 Y4 L7 L60 R78 V79 T84 T85 V86	E3-Y82 VanDerWaalsContact C-CE2 3.48Å; E3-Y82 HydrophobicContact CB-CE2 3.74Å; E3-Y82 WeakPolarHBondContact O-CE2 3.37Å; Y4-Y82 WeakPolarHBondContact CA-OH 3.43Å; Y4-Y82 VanDerWaalsContact CB-OH 3.3Å; Y4-Y82 WeakPolarHBondContact CB-OH 3.41Å; Y4-Y82 PolarHBondContact N-OH 2.87Å; L7-Y82 HydrophobicContact CB-CD2 3.88Å; L7-Y82 HydrophobicContact CB-CE2 4.22Å; L7-Y82 HydrophobicContact CB-CG 4.32Å; L7-Y82 HydrophobicContact CD1-CG 4.4Å; L7-Y82 HydrophobicContact CD2-CD1 3.75Å; L7-Y82 HydrophobicContact CD2-CD2 3.99Å; L7-Y82 HydrophobicContact CD2-CE1 4.37Å; L7-Y82 HydrophobicContact CD2-CG 3.55Å; L7-Y82 HydrophobicContact CG-CD2 4.33Å; L7-Y82 HydrophobicContact CG-CG 4.28Å; L60-Y82 HydrophobicContact CD1-CD1 3.65Å; L60-Y82 HydrophobicContact CD1-CE1 3.96Å; R78-Y82 PolarHBondContact O-N 3.34Å; V79-Y82 PolarHBondContact O-N 2.92Å; Y82-T84 VanDerWaalsContact C-N 3.29Å; Y82-T84 PolarHBondContact O-N 3.12Å; Y82-T85 PolarHBondContact O-N 3.13Å; Y82-T85 PolarHBondContact O-OG1 3.33Å; Y82-V86 HydrophobicContact CD2-CB 4.13Å; Y82-V86 HydrophobicContact CD2-CG2 3.61Å; Y82-V86 HydrophobicContact CE1-CB 4.25Å; Y82-V86 HydrophobicContact CE1-CG1 4.45Å; Y82-V86 HydrophobicContact CE2-CB 3.83Å; Y82-V86 HydrophobicContact CE2-CG1 4Å; Y82-V86 HydrophobicContact CE2-CG2 3.52Å; Y82-V86 HydrophobicContact CG-CB 4.45Å; Y82-V86 HydrophobicContact CG-CG2 4.27Å; Y82-V86 WeakPolarHBondContact O-CB 3.44Å; Y82-V86 PolarHBondContact O-N 2.92Å
83	R	82.6	Confident	73.6	Confident	79 Å²	79	73.3 Å²	73.3	30%	0.298	39%	0.385	S	S	.	.	I	π-helix	trans	-60.9	-41.6	178	-170	173.7	94.8	-164	6.9	111.3	L60 E64 V79 I80 E81 L87	L60-R83 HydrophobicContact CD1-CB 4.44Å; E64-R83 IonicContact OE1-CZ 3.14Å; E64-R83 IonicContact OE1-NE 3.08Å; E64-R83 IonicContact OE1-NH1 3.38Å; E64-R83 PolarHBondContact OE1-NH1 3.3Å; E64-R83 IonicContact OE2-CZ 2.73Å; E64-R83 IonicContact OE2-NH1 2.65Å; E64-R83 PolarHBondContact OE2-NH1 3.31Å; V79-R83 WeakPolarHBondContact O-CB 3.25Å; V79-R83 PolarHBondContact O-N 3.04Å; I80-R83 PolarHBondContact O-N 3.31Å; E81-R83 PolarHBondContact O-N 2.79Å; R83-L87 HydrophobicContact CB-CD1 4.35Å; R83-L87 HydrophobicContact CG-CD1 3.69Å; R83-L87 VanDerWaalsContact O-CB 3.29Å; R83-L87 WeakPolarHBondContact O-CB 3.21Å; R83-L87 PolarHBondContact O-N 3.05Å
84	T	80.1	Confident	71.9	Confident	51 Å²	51	77.7 Å²	77.7	31%	0.313	40%	0.398	S	S	.	.	I	π-helix	trans	-78.4	-22.5	-178.9	56.8	0	0	0	0	114.3	I80 E81 Y82 K88	I80-T84 HydrophobicContact CG2-CG2 4.27Å; I80-T84 WeakPolarHBondContact O-CB 3.4Å; I80-T84 WeakPolarHBondContact O-CG2 3.2Å; I80-T84 PolarHBondContact O-N 2.83Å; I80-T84 PolarHBondContact O-OG1 3.35Å; E81-T84 CarbonylContact O-C 3.59Å; E81-T84 PolarHBondContact O-N 2.87Å; E81-T84 VanDerWaalsContact O-N 3.13Å; E81-T84 PolarHBondContact O-OG1 3.38Å; Y82-T84 VanDerWaalsContact C-N 3.29Å; Y82-T84 PolarHBondContact O-N 3.12Å; T84-K88 VanDerWaalsContact O-CB 3.23Å; T84-K88 WeakPolarHBondContact O-CB 3.47Å; T84-K88 WeakPolarHBondContact O-CD 3.48Å; T84-K88 WeakPolarHBondContact O-CG 3.41Å
85	T	76	Confident	69.6	Low	74 Å²	74	79.4 Å²	79.4	45%	0.454	41%	0.406	S	S	.	.	I	π-helix	trans	-93.9	-54	177.8	56.4	0	0	0	0	110.7	E81 Y82 I89	E81-T85 WeakPolarHBondContact O-CB 3.05Å; E81-T85 WeakPolarHBondContact O-CG2 3.39Å; E81-T85 PolarHBondContact O-N 2.83Å; E81-T85 PolarHBondContact O-OG1 3.25Å; Y82-T85 PolarHBondContact O-N 3.13Å; Y82-T85 PolarHBondContact O-OG1 3.33Å; T85-I89 WeakPolarHBondContact O-CD1 3.41Å; T85-I89 WeakPolarHBondContact O-CG1 3.24Å; T85-I89 PolarHBondContact O-N 2.83Å
86	V	71.3	Confident	67.4	Low	31 Å²	31	85.2 Å²	85.2	19%	0.188	44%	0.437	C	S	.	.	I	π-helix	trans	-82.3	-42.7	-171.3	-177.6	0	0	0	0	112.4	E3 Y82 I89 S90	E3-V86 HydrophobicContact CB-CG1 4.14Å; E3-V86 HydrophobicContact CB-CG2 4.13Å; E3-V86 HydrophobicContact CG-CG1 4.44Å; E3-V86 HydrophobicContact CG-CG2 4.39Å; Y82-V86 HydrophobicContact CD2-CB 4.13Å; Y82-V86 HydrophobicContact CD2-CG2 3.61Å; Y82-V86 HydrophobicContact CE1-CB 4.25Å; Y82-V86 HydrophobicContact CE1-CG1 4.45Å; Y82-V86 HydrophobicContact CE2-CB 3.83Å; Y82-V86 HydrophobicContact CE2-CG1 4Å; Y82-V86 HydrophobicContact CE2-CG2 3.52Å; Y82-V86 HydrophobicContact CG-CB 4.45Å; Y82-V86 HydrophobicContact CG-CG2 4.27Å; Y82-V86 WeakPolarHBondContact O-CB 3.44Å; Y82-V86 PolarHBondContact O-N 2.92Å; V86-I89 PolarHBondContact O-N 3.34Å; V86-S90 PolarHBondContact O-N 3.29Å
87	L	61.4	Low	65.2	Low	43 Å²	43	87.3 Å²	87.3	23%	0.225	45%	0.452	C	S	.	.	I	π-helix	trans	-74.1	-34.2	178.4	-68.1	164.4	0	0	0	111.5	L60 R83 I89 S90 E91	L60-L87 HydrophobicContact CD1-CD1 4.39Å; R83-L87 HydrophobicContact CB-CD1 4.35Å; R83-L87 HydrophobicContact CG-CD1 3.69Å; R83-L87 VanDerWaalsContact O-CB 3.29Å; R83-L87 WeakPolarHBondContact O-CB 3.21Å; R83-L87 PolarHBondContact O-N 3.05Å; L87-I89 PolarHBondContact O-N 3.08Å; L87-S90 WeakPolarHBondContact O-CB 3.43Å; L87-S90 PolarHBondContact O-N 3.3Å; L87-S90 VanDerWaalsContact O-N 3.08Å; L87-E91 WeakPolarHBondContact O-CG 3Å; L87-E91 PolarHBondContact O-N 3.02Å
88	K	57.5	Low	63.2	Low	106 Å²	106	93.2 Å²	93.2	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-35.5	171.8	-71.7	-166.4	-168.3	170.3	0	113.9	T84 S90 E91 D92	T84-K88 VanDerWaalsContact O-CB 3.23Å; T84-K88 WeakPolarHBondContact O-CB 3.47Å; T84-K88 WeakPolarHBondContact O-CD 3.48Å; T84-K88 WeakPolarHBondContact O-CG 3.41Å; K88-S90 PolarHBondContact O-N 2.92Å; K88-E91 PolarHBondContact O-N 3.22Å; K88-D92 PolarHBondContact O-N 3.24Å
89	I	51.3	Low	61	Low	131 Å²	131	93.2 Å²	93.2	67%	0.672	48%	0.479	S	S	*	.	H	α-helix	trans	-64.4	-26.4	175.7	-68.8	161.6	0	0	0	110.9	T85 V86 L87	T85-I89 WeakPolarHBondContact O-CD1 3.41Å; T85-I89 WeakPolarHBondContact O-CG1 3.24Å; T85-I89 PolarHBondContact O-N 2.83Å; V86-I89 PolarHBondContact O-N 3.34Å; L87-I89 PolarHBondContact O-N 3.08Å
90	S	45.7	Very low	58.9	Low	99 Å²	99	96.9 Å²	96.9	69%	0.692	50%	0.501	S	S	*	.	H	α-helix	trans	-81.2	-15.8	174.4	-160.6	0	0	0	0	113.7	V86 L87 K88	V86-S90 PolarHBondContact O-N 3.29Å; L87-S90 WeakPolarHBondContact O-CB 3.43Å; L87-S90 PolarHBondContact O-N 3.3Å; L87-S90 VanDerWaalsContact O-N 3.08Å; K88-S90 PolarHBondContact O-N 2.92Å
91	E	45.6	Very low	56.9	Low	70 Å²	70	105.8 Å²	105.8	33%	0.327	53%	0.53	S	S	.	.	S	Bend	trans	-95.8	-2.9	-178.2	-66.4	-176.5	133.6	0	0	113.6	L87 K88 D93 E94 I95	L87-E91 WeakPolarHBondContact O-CG 3Å; L87-E91 PolarHBondContact O-N 3.02Å; K88-E91 PolarHBondContact O-N 3.22Å; E91-D93 PolarHBondContact O-N 2.63Å; E91-E94 PolarHBondContact O-N 3.31Å; E91-E94 VanDerWaalsContact O-N 3.15Å; E91-I95 HydrophobicContact CB-CD1 4.37Å; E91-I95 HydrophobicContact CB-CG1 3.61Å; E91-I95 VanDerWaalsContact CD-CG1 3.41Å; E91-I95 HydrophobicContact CG-CD1 3.51Å; E91-I95 HydrophobicContact CG-CG1 3.29Å; E91-I95 PolarHBondContact O-N 2.78Å; E91-I95 WeakPolarHBondContact OE1-CD1 3.48Å; E91-I95 WeakPolarHBondContact OE1-CG1 3.42Å
92	D	44.4	Very low	54.9	Low	148 Å²	148	106.1 Å²	106.1	79%	0.791	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-8	-179.8	-118.8	-89	0	0	0	113.5	K88	K88-D92 PolarHBondContact O-N 3.24Å
93	D	46.6	Very low	53	Low	159 Å²	159	111.5 Å²	111.5	85%	0.85	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-23.2	167.9	-98.8	-74.2	0	0	0	114.2	E91	E91-D93 PolarHBondContact O-N 2.63Å
94	E	52	Low	51.1	Low	177 Å²	177	110.7 Å²	110.7	83%	0.827	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.8	84.4	-179.7	-112.9	171.3	-163.4	0	0	112.9	E91	E91-E94 PolarHBondContact O-N 3.31Å; E91-E94 VanDerWaalsContact O-N 3.15Å
95	I	42	Very low	49.5	Very low	113 Å²	113	110.9 Å²	110.9	58%	0.579	58%	0.584	S	S	*	*			trans	-157.6	98.2	138.1	23.5	-159.9	0	0	0	115.6	E91	E91-I95 HydrophobicContact CB-CD1 4.37Å; E91-I95 HydrophobicContact CB-CG1 3.61Å; E91-I95 VanDerWaalsContact CD-CG1 3.41Å; E91-I95 HydrophobicContact CG-CD1 3.51Å; E91-I95 HydrophobicContact CG-CG1 3.29Å; E91-I95 PolarHBondContact O-N 2.78Å; E91-I95 WeakPolarHBondContact OE1-CD1 3.48Å; E91-I95 WeakPolarHBondContact OE1-CG1 3.42Å
96	D	43.5	Very low	48.1	Very low	126 Å²	126	113.9 Å²	113.9	67%	0.674	59%	0.591	S	S	*	*				-6.6	122.1	126.7	-148.1	-109.2	0	0	0	118.2	K98	D96-K98 PolarHBondContact O-N 2.77Å
97	T	44.8	Very low	47	Very low	77 Å²	77	119.5 Å²	119.5	47%	0.472	61%	0.613	S	S	.	*	S	Bend	trans	68.7	-6.6	138.5	63.1	0	0	0	0	125.1
98	K	46.7	Very low	46.4	Very low	194 Å²	194	123.8 Å²	123.8	84%	0.843	63%	0.627	S	S	*	*			trans	-99.7	-7.1	-172	-63.9	-67.1	-171.5	177	0	119	D96	D96-K98 PolarHBondContact O-N 2.77Å
99	L	42.3	Very low	46.1	Very low	109 Å²	109	127.1 Å²	127.1	57%	0.571	64%	0.641	S	S	*	*			trans	-112.9	25.9	-173.5	-110.6	154.7	0	0	0	116.6
100	T	44.2	Very low	46.1	Very low	76 Å²	76	127.8 Å²	127.8	47%	0.466	65%	0.646	S	S	.	*			trans	-91.6	98	158.4	56.7	0	0	0	0	109.3	I102	T100-I102 PolarHBondContact O-N 3.26Å
101	R	46.1	Very low	46.4	Very low	255 Å²	255	127.8 Å²	127.8	96%	0.962	64%	0.638	S	S	*	*	S	Bend	trans	-67.3	55.1	152.8	-169.8	-174.7	-98.1	-177.6	-5.7	109.1
102	I	44.2	Very low	47	Very low	98 Å²	98	130.6 Å²	130.6	50%	0.503	65%	0.653	S	S	.	*			trans	-147	96.2	166.7	-54.3	176.6	0	0	0	103.9	T100 S104 A105	T100-I102 PolarHBondContact O-N 3.26Å; I102-S104 PolarHBondContact O-N 3.37Å; I102-A105 HydrophobicContact CG2-CB 3.96Å
103	P	45.3	Very low	47.5	Very low	126 Å²	126	131.6 Å²	131.6	82%	0.818	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	125.7	158.4	16.2	-5.6	0	0	0	106.5
104	S	43.3	Very low	48	Very low	61 Å²	61	132 Å²	132	43%	0.427	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	93.9	39.6	171.9	-133.8	0	0	0	0	118.5	I102 Y108	I102-S104 PolarHBondContact O-N 3.37Å; S104-Y108 WeakPolarHBondContact O-CD2 3.48Å; S104-Y108 WeakPolarHBondContact O-CE2 3.45Å; S104-Y108 WeakPolarHBondContact OG-CE2 3.29Å; S104-Y108 PolarHBondContact OG-OH 2.71Å; S104-Y108 VanDerWaalsContact OG-OH 3.09Å
105	A	46	Very low	48	Very low	56 Å²	56	127.6 Å²	127.6	46%	0.463	63%	0.629	S	S	.	*	S	Bend	trans	-121.7	-38.7	158.2	0	0	0	0	0	113	I102	I102-A105 HydrophobicContact CG2-CB 3.96Å
106	K	45.8	Very low	48.7	Very low	136 Å²	136	125.2 Å²	125.2	59%	0.591	62%	0.623	S	S	*	*	S	Bend	trans	-71.7	-35.4	174.2	-93.2	-172.1	173.5	-176.2	0	113.3	Y108 K109	K106-Y108 PolarHBondContact O-N 2.83Å; K106-Y108 VanDerWaalsContact O-N 3.15Å; K106-K109 PolarHBondContact O-N 2.65Å; K106-K109 VanDerWaalsContact O-N 3.16Å
107	K	48	Very low	49.4	Very low	149 Å²	149	127.5 Å²	127.5	65%	0.648	63%	0.629	S	S	*	*	H	α-helix	trans	-61.9	-25.5	179.4	-144.3	-174.4	-175.3	-178.4	0	112.9	I111	K107-I111 HydrophobicContact CB-CD1 4.29Å; K107-I111 HydrophobicContact CD-CD1 4.11Å; K107-I111 HydrophobicContact CG-CD1 3.86Å; K107-I111 WeakPolarHBondContact O-CD1 3.2Å; K107-I111 WeakPolarHBondContact O-CG1 3.48Å; K107-I111 PolarHBondContact O-N 2.98Å
108	Y	49.2	Very low	50	Low	133 Å²	133	131.3 Å²	131.3	52%	0.522	65%	0.647	S	S	.	*	H	α-helix	trans	-76.5	-19.3	179.8	-70.1	-66.2	0	0	0	114.2	S104 K106 I112	S104-Y108 WeakPolarHBondContact O-CD2 3.48Å; S104-Y108 WeakPolarHBondContact O-CE2 3.45Å; S104-Y108 WeakPolarHBondContact OG-CE2 3.29Å; S104-Y108 PolarHBondContact OG-OH 2.71Å; S104-Y108 VanDerWaalsContact OG-OH 3.09Å; K106-Y108 PolarHBondContact O-N 2.83Å; K106-Y108 VanDerWaalsContact O-N 3.15Å; Y108-I112 WeakPolarHBondContact O-CG1 3.4Å; Y108-I112 PolarHBondContact O-N 2.89Å
109	K	52.3	Low	50.4	Low	176 Å²	176	126.5 Å²	126.5	77%	0.765	63%	0.627	S	S	*	*	H	α-helix	trans	-71.9	-34.5	175.2	-75.1	-163.4	175.4	-173.8	0	111.9	K106	K106-K109 PolarHBondContact O-N 2.65Å; K106-K109 VanDerWaalsContact O-N 3.16Å
110	D	51.3	Low	51.3	Low	145 Å²	145	126.4 Å²	126.4	78%	0.775	63%	0.626	S	S	*	*	H	α-helix	trans	-86.2	-14.2	179.6	-52.3	-35.1	0	0	0	112.9
111	I	51.6	Low	52.2	Low	100 Å²	100	130.1 Å²	130.1	51%	0.513	64%	0.642	S	S	.	*	H	α-helix	trans	-88.8	-15.6	178	-67.8	166.3	0	0	0	112.4	K107 R113	K107-I111 HydrophobicContact CB-CD1 4.29Å; K107-I111 HydrophobicContact CD-CD1 4.11Å; K107-I111 HydrophobicContact CG-CD1 3.86Å; K107-I111 WeakPolarHBondContact O-CD1 3.2Å; K107-I111 WeakPolarHBondContact O-CG1 3.48Å; K107-I111 PolarHBondContact O-N 2.98Å; I111-R113 PolarHBondContact O-N 2.84Å
112	I	57.6	Low	53.1	Low	128 Å²	128	127.5 Å²	127.5	66%	0.656	64%	0.637	S	S	*	*			trans	-75.2	81.2	168.8	-57.4	176.2	0	0	0	107.4	Y108 Q114	Y108-I112 WeakPolarHBondContact O-CG1 3.4Å; Y108-I112 PolarHBondContact O-N 2.89Å; I112-Q114 VanDerWaalsContact C-N 3.34Å; I112-Q114 PolarHBondContact O-N 2.78Å
113	R	54.8	Low	54.2	Low	170 Å²	170	130.4 Å²	130.4	64%	0.642	65%	0.653	S	S	*	*			trans	-56.1	102.8	160.6	-174.8	177.6	-177.1	-122.7	0.7	106	I111 P115 E119	I111-R113 PolarHBondContact O-N 2.84Å; R113-P115 VanDerWaalsContact O-CD 3.3Å; R113-P115 WeakPolarHBondContact O-CD 3.27Å; R113-E119 IonicContact CZ-OE1 3.71Å; R113-E119 IonicContact CZ-OE2 3.71Å; R113-E119 VanDerWaalsContact NH1-CD 3.33Å; R113-E119 IonicContact NH1-OE1 2.71Å; R113-E119 PolarHBondContact NH1-OE1 2.69Å; R113-E119 VanDerWaalsContact NH1-OE1 3.08Å; R113-E119 IonicContact NH1-OE2 2.83Å; R113-E119 PolarHBondContact NH1-OE2 2.58Å; R113-E119 VanDerWaalsContact NH2-CD 3.26Å; R113-E119 IonicContact NH2-OE1 3.18Å; R113-E119 PolarHBondContact NH2-OE1 2.95Å; R113-E119 IonicContact NH2-OE2 3.37Å; R113-E119 PolarHBondContact NH2-OE2 3.05Å; R113-E119 VanDerWaalsContact NH2-OE2 3.14Å
114	Q	57.4	Low	55.4	Low	168 Å²	168	128.2 Å²	128.2	79%	0.785	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-61.5	118.6	162.8	-68	-174	17.3	0	0	105.5	I112 S116	I112-Q114 VanDerWaalsContact C-N 3.34Å; I112-Q114 PolarHBondContact O-N 2.78Å; Q114-S116 PolarHBondContact O-N 3.28Å
115	P	52.4	Low	56.7	Low	83 Å²	83	130.9 Å²	130.9	54%	0.539	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-58.3	128	172.9	24.1	-30.7	0	0	0	107.3	R113 E119	R113-P115 VanDerWaalsContact O-CD 3.3Å; R113-P115 WeakPolarHBondContact O-CD 3.27Å; P115-E119 HydrophobicContact CB-CB 4.47Å
116	S	55.8	Low	57.9	Low	63 Å²	63	133.6 Å²	133.6	44%	0.441	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-59.4	150.5	170.4	51.3	0	0	0	0	108.8	Q114 D118 E119	Q114-S116 PolarHBondContact O-N 3.28Å; S116-D118 PolarHBondContact O-N 3.18Å; S116-E119 PolarHBondContact O-N 2.74Å
117	E	58.6	Low	59.1	Low	174 Å²	174	133 Å²	133	81%	0.813	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-55.3	-23.7	-179.2	-69.2	-174.3	146.5	0	0	112.8	E119 I120	E117-E119 VanDerWaalsContact C-N 3.35Å; E117-E119 PolarHBondContact O-N 3.44Å; E117-I120 HydrophobicContact CB-CD1 4.44Å; E117-I120 HydrophobicContact CG-CD1 4.49Å
118	D	57.4	Low	60.2	Low	157 Å²	157	135.7 Å²	135.7	84%	0.84	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-73.1	-18.2	176.3	-56.9	-53	0	0	0	114.8	S116	S116-D118 PolarHBondContact O-N 3.18Å
119	E	54	Low	61	Low	93 Å²	93	139.2 Å²	139.2	44%	0.435	71%	0.714	S	S	.	*	G	3₁₀ helix	trans	-96.1	-3.4	177.9	-108.4	-176.6	-172.2	0	0	113.2	R113 P115 S116 E117 I121	R113-E119 IonicContact CZ-OE1 3.71Å; R113-E119 IonicContact CZ-OE2 3.71Å; R113-E119 VanDerWaalsContact NH1-CD 3.33Å; R113-E119 IonicContact NH1-OE1 2.71Å; R113-E119 PolarHBondContact NH1-OE1 2.69Å; R113-E119 VanDerWaalsContact NH1-OE1 3.08Å; R113-E119 IonicContact NH1-OE2 2.83Å; R113-E119 PolarHBondContact NH1-OE2 2.58Å; R113-E119 VanDerWaalsContact NH2-CD 3.26Å; R113-E119 IonicContact NH2-OE1 3.18Å; R113-E119 PolarHBondContact NH2-OE1 2.95Å; R113-E119 IonicContact NH2-OE2 3.37Å; R113-E119 PolarHBondContact NH2-OE2 3.05Å; R113-E119 VanDerWaalsContact NH2-OE2 3.14Å; P115-E119 HydrophobicContact CB-CB 4.47Å; S116-E119 PolarHBondContact O-N 2.74Å; E117-E119 VanDerWaalsContact C-N 3.35Å; E117-E119 PolarHBondContact O-N 3.44Å; E119-I121 PolarHBondContact O-N 3.1Å; E119-I121 VanDerWaalsContact O-N 3.08Å
120	I	62.2	Low	61.6	Low	108 Å²	108	139.1 Å²	139.1	55%	0.554	75%	0.746	S	S	*	*	S	Bend	trans	-69.8	109.1	174.6	-55.6	173.8	0	0	0	107.7	E117 K122	E117-I120 HydrophobicContact CB-CD1 4.44Å; E117-I120 HydrophobicContact CG-CD1 4.49Å; I120-K122 PolarHBondContact O-N 3.31Å
121	I	63.3	Low	62.1	Low	154 Å²	154	138.9 Å²	138.9	79%	0.79	75%	0.745	S	S	*	*			trans	-56.3	107.7	170.1	-58.7	172.3	0	0	0	107.1	E119 L123	E119-I121 PolarHBondContact O-N 3.1Å; E119-I121 VanDerWaalsContact O-N 3.08Å; I121-L123 VanDerWaalsContact C-N 3.34Å; I121-L123 PolarHBondContact O-N 2.97Å
122	K	64.9	Low	62.7	Low	200 Å²	200	140.9 Å²	140.9	87%	0.87	76%	0.757	S	S	*	*			trans	-62.7	98.6	170.9	-78.5	-178.1	179.7	175	0	107.9	I120 A124	I120-K122 PolarHBondContact O-N 3.31Å; K122-A124 PolarHBondContact O-N 2.69Å
123	L	67.4	Low	63	Low	159 Å²	159	141.6 Å²	141.6	83%	0.832	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-62.6	118.7	171.5	-169.5	67.6	0	0	0	107.7	I121	I121-L123 VanDerWaalsContact C-N 3.34Å; I121-L123 PolarHBondContact O-N 2.97Å
124	A	69.8	Low	63.4	Low	79 Å²	79	139.9 Å²	139.9	65%	0.653	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.2	136.6	176.4	0	0	0	0	0	109.4	K122	K122-A124 PolarHBondContact O-N 2.69Å
125	P	71.3	Confident	63.8	Low	117 Å²	117	138.2 Å²	138.2	76%	0.76	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.4	137.2	180	21.7	-30.7	0	0	0	109.8
126	P	70.2	Confident	64.6	Low	114 Å²	114	141.9 Å²	141.9	74%	0.74	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.4	141.2	-177.8	21.6	-30.6	0	0	0	110.3	K128	P126-K128 PolarHBondContact O-N 3.39Å
127	P	71.6	Confident	65.2	Low	124 Å²	124	147.5 Å²	147.5	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60.5	128.6	-177.6	23.6	-32	0	0	0	109.9	K129	P127-K129 PolarHBondContact O-N 3.26Å
128	K	70.5	Confident	65.7	Low	204 Å²	204	145.5 Å²	145.5	89%	0.887	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.5	122.3	172.7	-67.1	-175.4	-179.5	-177.2	0	107.9	P126 A130	P126-K128 PolarHBondContact O-N 3.39Å; K128-A130 PolarHBondContact O-N 3.43Å
129	K	66.7	Low	66.4	Low	207 Å²	207	144.5 Å²	144.5	90%	0.9	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.4	128.4	167.2	-77.4	-177.6	175.1	-178.8	0	108.1	P127	P127-K129 PolarHBondContact O-N 3.26Å
130	A	64.9	Low	67.5	Low	175 Å²	175	149.2 Å²	149.2	100%	1.446	84%	0.84	S	S	*	*			trans	-67.8	0	168.8	0	0	0	0	0	110.9	K128	K128-A130 PolarHBondContact O-N 3.43Å

Retrieved 130 of 130 residues in 312.4 ms (Link to these results)

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