A0A087XJ53_POEFO Loading...

CDKN2A interacting protein N-terminal like

AlphaFold DB , UniProt , Accession A0A087XJ53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 111 aa.

						>A0A087XJ53_POEFO|A0A087XJ53
MSALDVQDFIQQNRATAQQVETFRGYWESDKHWEARREFILRNMSDFETDRLDHLLSLSMVWANNVFMGCRYSAALLEKVKEMAEGIVVEDAPVFKTRDEIIKSQQVGCLG
					

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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	60.3	Low	82.3	Confident	211 Å²	211	107.4 Å²	107.4	100%	1.039	57%	0.572	S	S	*	*				0	117.8	0	-65.1	175.1	92.6	0	0	107.1	D5	M1-D5 VanDerWaalsContact CA-OD2 3.26Å; M1-D5 WeakPolarHBondContact CA-OD2 3.3Å
2	S	81.5	Confident	82.6	Confident	51 Å²	51	109.2 Å²	109.2	36%	0.357	57%	0.574	S	S	.	*			trans	-76.7	162.2	178.6	84.6	0	0	0	0	110.4	L4 D5 V6	S2-L4 PolarHBondContact O-N 3.17Å; S2-L4 WeakPolarHBondContact OG-CB 3.26Å; S2-L4 PolarHBondContact OG-N 3.18Å; S2-D5 PolarHBondContact N-OD2 3.25Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 PolarHBondContact OG-N 3.38Å; S2-D5 PolarHBondContact OG-OD1 3Å; S2-V6 PolarHBondContact O-N 2.79Å
3	A	78.1	Confident	83	Confident	85 Å²	85	106.8 Å²	106.8	70%	0.702	56%	0.562	S	S	*	*	H	α-helix	trans	-60.8	-26.5	173.7	0	0	0	0	0	112.5	Q7	A3-Q7 PolarHBondContact O-N 2.68Å
4	L	77.4	Confident	83.4	Confident	119 Å²	119	110.1 Å²	110.1	62%	0.623	56%	0.564	S	S	*	*	H	α-helix	trans	-69.7	-43.2	175.2	-62.8	166.7	0	0	0	110.8	S2 V6 Q7 D8	S2-L4 PolarHBondContact O-N 3.17Å; S2-L4 WeakPolarHBondContact OG-CB 3.26Å; S2-L4 PolarHBondContact OG-N 3.18Å; L4-V6 PolarHBondContact O-N 3.12Å; L4-Q7 PolarHBondContact O-N 3.25Å; L4-Q7 VanDerWaalsContact O-N 3.08Å; L4-D8 PolarHBondContact O-N 3.26Å
5	D	84.6	Confident	83.7	Confident	79 Å²	79	105.9 Å²	105.9	42%	0.422	55%	0.552	S	S	.	*	H	α-helix	trans	-59.3	-38	178.9	-49.4	-6.9	0	0	0	111.7	M1 S2 F9	M1-D5 VanDerWaalsContact CA-OD2 3.26Å; M1-D5 WeakPolarHBondContact CA-OD2 3.3Å; S2-D5 PolarHBondContact N-OD2 3.25Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 PolarHBondContact OG-N 3.38Å; S2-D5 PolarHBondContact OG-OD1 3Å; D5-F9 WeakPolarHBondContact O-CB 3.49Å; D5-F9 PolarHBondContact O-N 3.4Å; D5-F9 VanDerWaalsContact O-N 3.12Å
6	V	86.3	Confident	84	Confident	71 Å²	71	102.1 Å²	102.1	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-68.9	-41.6	178.1	177.3	0	0	0	0	110.9	S2 L4 F9 I10	S2-V6 PolarHBondContact O-N 2.79Å; L4-V6 PolarHBondContact O-N 3.12Å; V6-F9 PolarHBondContact O-N 2.96Å; V6-I10 HydrophobicContact CG1-CD1 3.94Å; V6-I10 VanDerWaalsContact O-CG1 3.3Å; V6-I10 WeakPolarHBondContact O-CG1 3.42Å; V6-I10 PolarHBondContact O-N 3.08Å
7	Q	87.6	Confident	84.3	Confident	133 Å²	133	97.9 Å²	97.9	62%	0.621	52%	0.518	S	S	*	.	H	α-helix	trans	-67.2	-41.3	-178.9	-169	168.5	-6.6	0	0	111.6	A3 L4 I10 Q11	A3-Q7 PolarHBondContact O-N 2.68Å; L4-Q7 PolarHBondContact O-N 3.25Å; L4-Q7 VanDerWaalsContact O-N 3.08Å; Q7-I10 PolarHBondContact O-N 3Å; Q7-Q11 WeakPolarHBondContact O-CB 3.5Å; Q7-Q11 PolarHBondContact O-N 3.36Å
8	D	87.3	Confident	84.7	Confident	109 Å²	109	100.2 Å²	100.2	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-43.9	175	-69.5	-22	0	0	0	111.2	L4 I10 Q11 Q12	L4-D8 PolarHBondContact O-N 3.26Å; D8-I10 PolarHBondContact O-N 3.4Å; D8-Q11 PolarHBondContact O-N 3.04Å; D8-Q12 WeakPolarHBondContact O-CB 3.08Å; D8-Q12 PolarHBondContact O-N 3.42Å
9	F	85.1	Confident	85.1	Confident	129 Å²	129	99.3 Å²	99.3	57%	0.566	52%	0.518	S	S	*	.	H	α-helix	trans	-60.9	-45.3	176.5	-173.5	-103	0	0	0	112	D5 V6 Q11 Q12 N13	D5-F9 WeakPolarHBondContact O-CB 3.49Å; D5-F9 PolarHBondContact O-N 3.4Å; D5-F9 VanDerWaalsContact O-N 3.12Å; V6-F9 PolarHBondContact O-N 2.96Å; F9-Q11 VanDerWaalsContact C-N 3.29Å; F9-Q11 PolarHBondContact O-N 2.77Å; F9-Q12 PolarHBondContact O-N 2.97Å; F9-N13 VanDerWaalsContact CD1-ND2 3.29Å; F9-N13 WeakPolarHBondContact CD1-ND2 3.43Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.5Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.43Å; F9-N13 PolarHBondContact O-N 3.34Å; F9-N13 PolarHBondContact O-ND2 3.13Å
10	I	88.4	Confident	85.6	Confident	79 Å²	79	94.4 Å²	94.4	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-60.6	-42.3	176.9	-69.7	165.8	0	0	0	110.8	V6 Q7 D8 N13 R14	V6-I10 HydrophobicContact CG1-CD1 3.94Å; V6-I10 VanDerWaalsContact O-CG1 3.3Å; V6-I10 WeakPolarHBondContact O-CG1 3.42Å; V6-I10 PolarHBondContact O-N 3.08Å; Q7-I10 PolarHBondContact O-N 3Å; D8-I10 PolarHBondContact O-N 3.4Å; I10-N13 PolarHBondContact O-N 2.91Å; I10-R14 WeakPolarHBondContact O-CG 3.2Å; I10-R14 PolarHBondContact O-N 3.22Å
11	Q	88.4	Confident	86.1	Confident	115 Å²	115	93.9 Å²	93.9	54%	0.537	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-42.8	-179.8	-172.9	59.2	30.1	0	0	111.6	Q7 D8 F9 R14 A15	Q7-Q11 WeakPolarHBondContact O-CB 3.5Å; Q7-Q11 PolarHBondContact O-N 3.36Å; D8-Q11 PolarHBondContact O-N 3.04Å; F9-Q11 VanDerWaalsContact C-N 3.29Å; F9-Q11 PolarHBondContact O-N 2.77Å; Q11-R14 PolarHBondContact O-N 3.02Å; Q11-A15 PolarHBondContact O-N 3.35Å
12	Q	86.3	Confident	87.8	Confident	129 Å²	129	88.8 Å²	88.8	60%	0.603	47%	0.469	S	S	*	.	H	α-helix	trans	-61.5	-46.8	175.5	-174.1	175.4	2.8	0	0	111.5	D8 F9 R14 A15 T16	D8-Q12 WeakPolarHBondContact O-CB 3.08Å; D8-Q12 PolarHBondContact O-N 3.42Å; F9-Q12 PolarHBondContact O-N 2.97Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; Q12-R14 PolarHBondContact O-N 3.36Å; Q12-A15 PolarHBondContact O-N 2.9Å; Q12-A15 VanDerWaalsContact O-N 3.13Å; Q12-T16 PolarHBondContact O-N 3.46Å; Q12-T16 PolarHBondContact O-OG1 3.16Å; Q12-T16 VanDerWaalsContact O-OG1 3.14Å
13	N	87.5	Confident	88.5	Confident	79 Å²	79	88.3 Å²	88.3	42%	0.422	46%	0.46	S	S	.	.	H	α-helix	trans	-59.6	-40.4	177.9	-82.8	-89.4	0	0	0	112.3	F9 I10 T16 A17	F9-N13 VanDerWaalsContact CD1-ND2 3.29Å; F9-N13 WeakPolarHBondContact CD1-ND2 3.43Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.5Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.43Å; F9-N13 PolarHBondContact O-N 3.34Å; F9-N13 PolarHBondContact O-ND2 3.13Å; I10-N13 PolarHBondContact O-N 2.91Å; N13-T16 PolarHBondContact O-N 2.93Å; N13-A17 WeakPolarHBondContact O-CB 3.29Å; N13-A17 PolarHBondContact O-N 3.44Å
14	R	88.8	Confident	89.4	Confident	153 Å²	153	88.9 Å²	88.9	58%	0.577	44%	0.444	S	S	*	.	H	α-helix	trans	-63.5	-43.7	175	-76	178.4	178.9	165.4	0.2	112.1	I10 Q11 Q12 A17 Q18	I10-R14 WeakPolarHBondContact O-CG 3.2Å; I10-R14 PolarHBondContact O-N 3.22Å; Q11-R14 PolarHBondContact O-N 3.02Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; Q12-R14 PolarHBondContact O-N 3.36Å; R14-A17 PolarHBondContact O-N 2.98Å; R14-Q18 WeakPolarHBondContact O-CG 3.36Å; R14-Q18 PolarHBondContact O-N 3.34Å
15	A	88.7	Confident	90.2	Very high	47 Å²	47	83.6 Å²	83.6	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-43.6	177.7	0	0	0	0	0	111.3	Q11 Q12 Q18 Q19	Q11-A15 PolarHBondContact O-N 3.35Å; Q12-A15 PolarHBondContact O-N 2.9Å; Q12-A15 VanDerWaalsContact O-N 3.13Å; A15-Q18 PolarHBondContact O-N 2.86Å; A15-Q19 WeakPolarHBondContact O-CB 3.47Å; A15-Q19 PolarHBondContact O-N 3.36Å
16	T	87.9	Confident	90.6	Very high	44 Å²	44	90.1 Å²	90.1	27%	0.27	44%	0.439	S	S	.	.	H	α-helix	trans	-60.2	-47.2	174.6	-58.6	0	0	0	0	111.4	Q12 N13 Q18 Q19 V20 M44	Q12-T16 PolarHBondContact O-N 3.46Å; Q12-T16 PolarHBondContact O-OG1 3.16Å; Q12-T16 VanDerWaalsContact O-OG1 3.14Å; N13-T16 PolarHBondContact O-N 2.93Å; T16-Q18 VanDerWaalsContact C-N 3.32Å; T16-Q18 PolarHBondContact O-N 3.43Å; T16-Q19 WeakPolarHBondContact O-CB 3.49Å; T16-Q19 PolarHBondContact O-N 3.33Å; T16-V20 WeakPolarHBondContact O-CG2 3.49Å; T16-V20 PolarHBondContact O-N 3Å; T16-M44 HydrophobicContact CG2-CE 4.38Å; T16-M44 HydrophobicContact CG2-SD 3.63Å
17	A	89.1	Confident	90.8	Very high	32 Å²	32	94.5 Å²	94.5	26%	0.264	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-43	177.7	0	0	0	0	0	112	N13 R14 V20 E21	N13-A17 WeakPolarHBondContact O-CB 3.29Å; N13-A17 PolarHBondContact O-N 3.44Å; R14-A17 PolarHBondContact O-N 2.98Å; A17-V20 PolarHBondContact O-N 3.14Å; A17-E21 PolarHBondContact O-N 3.5Å
18	Q	92.1	Very high	91.1	Very high	139 Å²	139	88.8 Å²	88.8	65%	0.65	42%	0.421	S	S	*	.	H	α-helix	trans	-65.4	-39.4	176	-73.3	176.6	-10.3	0	0	112.7	R14 A15 T16 V20 E21	R14-Q18 WeakPolarHBondContact O-CG 3.36Å; R14-Q18 PolarHBondContact O-N 3.34Å; A15-Q18 PolarHBondContact O-N 2.86Å; T16-Q18 VanDerWaalsContact C-N 3.32Å; T16-Q18 PolarHBondContact O-N 3.43Å; Q18-V20 VanDerWaalsContact C-N 3.3Å; Q18-V20 PolarHBondContact O-N 3.37Å; Q18-E21 PolarHBondContact O-N 3.24Å
19	Q	92.3	Very high	91.3	Very high	83 Å²	83	86.6 Å²	86.6	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-42.1	175.3	179.8	-177.4	-17.8	0	0	110.9	A15 T16 E21 T22 F23	A15-Q19 WeakPolarHBondContact O-CB 3.47Å; A15-Q19 PolarHBondContact O-N 3.36Å; T16-Q19 WeakPolarHBondContact O-CB 3.49Å; T16-Q19 PolarHBondContact O-N 3.33Å; Q19-E21 VanDerWaalsContact C-N 3.28Å; Q19-E21 PolarHBondContact O-N 3.18Å; Q19-T22 WeakPolarHBondContact O-CB 3.43Å; Q19-T22 WeakPolarHBondContact O-CG2 3.32Å; Q19-T22 PolarHBondContact O-N 2.89Å; Q19-T22 PolarHBondContact O-OG1 2.98Å; Q19-F23 HydrophobicContact CG-CE2 4.31Å; Q19-F23 HydrophobicContact CG-CZ 3.97Å
20	V	94.6	Very high	91.6	Very high	0 Å²	0	85.6 Å²	85.6	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-61	-37.5	-179.9	173.4	0	0	0	0	112.1	T16 A17 Q18 T22 F23 W33 R37 I40 L41 M44	T16-V20 WeakPolarHBondContact O-CG2 3.49Å; T16-V20 PolarHBondContact O-N 3Å; A17-V20 PolarHBondContact O-N 3.14Å; Q18-V20 VanDerWaalsContact C-N 3.3Å; Q18-V20 PolarHBondContact O-N 3.37Å; V20-T22 PolarHBondContact O-N 3.31Å; V20-T22 VanDerWaalsContact O-N 3.09Å; V20-F23 HydrophobicContact CB-CD2 4.37Å; V20-F23 HydrophobicContact CG1-CD2 4.4Å; V20-F23 HydrophobicContact CG2-CD2 4.46Å; V20-F23 HydrophobicContact CG2-CE2 4.3Å; V20-F23 WeakPolarHBondContact O-CB 3.4Å; V20-F23 WeakPolarHBondContact O-CD2 3.37Å; V20-F23 PolarHBondContact O-N 3.3Å; V20-W33 HydrophobicContact CG1-CH2 4.04Å; V20-W33 HydrophobicContact CG1-CZ2 4.31Å; V20-W33 VanDerWaalsContact O-CH2 3.24Å; V20-W33 WeakPolarHBondContact O-CH2 3.3Å; V20-R37 HydrophobicContact CG1-CG 3.86Å; V20-I40 HydrophobicContact CG1-CB 4.29Å; V20-I40 HydrophobicContact CG1-CG2 4.03Å; V20-I40 HydrophobicContact CG2-CG2 3.93Å; V20-L41 HydrophobicContact CB-CD2 4.28Å; V20-L41 HydrophobicContact CG1-CG 4.28Å; V20-L41 HydrophobicContact CG2-CD2 3.7Å; V20-L41 HydrophobicContact CG2-CG 4.21Å; V20-M44 HydrophobicContact CG2-CE 4.29Å; V20-M44 HydrophobicContact CG2-SD 3.59Å; V20-M44 VanDerWaalsContact CG2-SD 3.59Å
21	E	95.9	Very high	91.6	Very high	84 Å²	84	87.9 Å²	87.9	39%	0.393	42%	0.422	S	S	.	.	H	α-helix	trans	-58.1	-25.3	175.8	-60.1	-54.8	152.7	0	0	113.3	A17 Q18 Q19 F23 R24 W33 R37	A17-E21 PolarHBondContact O-N 3.5Å; Q18-E21 PolarHBondContact O-N 3.24Å; Q19-E21 VanDerWaalsContact C-N 3.28Å; Q19-E21 PolarHBondContact O-N 3.18Å; E21-F23 PolarHBondContact O-N 3.09Å; E21-R24 PolarHBondContact O-N 2.89Å; E21-W33 PolarHBondContact OE2-NE1 3.48Å; E21-W33 VanDerWaalsContact OE2-NE1 3.14Å; E21-R37 WeakPolarHBondContact OE1-CD 3.24Å; E21-R37 IonicContact OE1-CZ 3.52Å; E21-R37 IonicContact OE1-NE 2.67Å; E21-R37 PolarHBondContact OE1-NE 2.99Å; E21-R37 IonicContact OE1-NH2 3.5Å; E21-R37 PolarHBondContact OE1-NH2 3.09Å
22	T	95.7	Very high	91.8	Very high	104 Å²	104	84.2 Å²	84.2	64%	0.638	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.7	178.3	75.2	0	0	0	0	113.2	Q19 V20 R24	Q19-T22 WeakPolarHBondContact O-CB 3.43Å; Q19-T22 WeakPolarHBondContact O-CG2 3.32Å; Q19-T22 PolarHBondContact O-N 2.89Å; Q19-T22 PolarHBondContact O-OG1 2.98Å; V20-T22 PolarHBondContact O-N 3.31Å; V20-T22 VanDerWaalsContact O-N 3.09Å; T22-R24 VanDerWaalsContact C-N 3.34Å
23	F	95.6	Very high	92.2	Very high	42 Å²	42	78.7 Å²	78.7	18%	0.184	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.5	179.5	-56.5	-45.3	0	0	0	113.9	Q19 V20 E21 G25 W33 R36 I40 M44 L52 L56	Q19-F23 HydrophobicContact CG-CE2 4.31Å; Q19-F23 HydrophobicContact CG-CZ 3.97Å; V20-F23 HydrophobicContact CB-CD2 4.37Å; V20-F23 HydrophobicContact CG1-CD2 4.4Å; V20-F23 HydrophobicContact CG2-CD2 4.46Å; V20-F23 HydrophobicContact CG2-CE2 4.3Å; V20-F23 WeakPolarHBondContact O-CB 3.4Å; V20-F23 WeakPolarHBondContact O-CD2 3.37Å; V20-F23 PolarHBondContact O-N 3.3Å; E21-F23 PolarHBondContact O-N 3.09Å; F23-G25 PolarHBondContact O-N 3.28Å; F23-W33 HydrophobicContact CB-CH2 4.3Å; F23-R36 PolarHBondContact O-NH2 3.13Å; F23-I40 HydrophobicContact CB-CD1 4.4Å; F23-I40 HydrophobicContact CD2-CD1 4.46Å; F23-I40 HydrophobicContact CD2-CG2 4.36Å; F23-M44 HydrophobicContact CE2-CE 4.22Å; F23-L52 HydrophobicContact CE1-CD2 4.23Å; F23-L52 HydrophobicContact CE2-CD2 4.41Å; F23-L52 HydrophobicContact CZ-CD2 3.64Å; F23-L52 HydrophobicContact CZ-CG 4.35Å; F23-L56 HydrophobicContact CB-CD2 3.9Å; F23-L56 HydrophobicContact CD1-CD1 3.66Å; F23-L56 HydrophobicContact CD1-CD2 4.06Å; F23-L56 HydrophobicContact CD2-CD2 3.69Å; F23-L56 HydrophobicContact CE1-CD1 3.96Å; F23-L56 HydrophobicContact CE2-CD2 4.27Å; F23-L56 HydrophobicContact CG-CD1 4.09Å; F23-L56 HydrophobicContact CG-CD2 3.6Å
24	R	97.4	Very high	92.6	Very high	96 Å²	96	81.6 Å²	81.6	36%	0.362	39%	0.389	S	S	.	.			trans	-63.7	125.6	-179.9	-173.2	180	179.6	165.3	0.7	111.2	E21 T22 E28 D30 W33	E21-R24 PolarHBondContact O-N 2.89Å; T22-R24 VanDerWaalsContact C-N 3.34Å; R24-E28 PolarHBondContact NH2-O 3.01Å; R24-D30 IonicContact CZ-OD1 3.64Å; R24-D30 VanDerWaalsContact CZ-OD1 3.3Å; R24-D30 IonicContact NH1-OD1 2.8Å; R24-D30 PolarHBondContact NH1-OD1 2.86Å; R24-D30 IonicContact NH2-OD1 3.3Å; R24-D30 PolarHBondContact NH2-OD1 3.5Å; R24-W33 HydrophobicContact CB-CD2 3.69Å; R24-W33 HydrophobicContact CB-CE3 3.83Å; R24-W33 HydrophobicContact CB-CG 4.32Å; R24-W33 HydrophobicContact CB-CH2 4.08Å; R24-W33 HydrophobicContact CB-CZ2 3.92Å; R24-W33 HydrophobicContact CB-CZ3 4.04Å; R24-W33 HydrophobicContact CG-CB 4.25Å; R24-W33 HydrophobicContact CG-CD2 3.54Å; R24-W33 HydrophobicContact CG-CE3 3.87Å; R24-W33 HydrophobicContact CG-CG 3.68Å
25	G	94.4	Very high	92.9	Very high	9 Å²	9	74.7 Å²	74.7	9%	0.093	37%	0.365	C	S	.	.			trans	-77.6	145.9	171	0	0	0	0	0	111.9	F23 W27 E28	F23-G25 PolarHBondContact O-N 3.28Å; G25-W27 PolarHBondContact O-N 3.24Å; G25-E28 PolarHBondContact N-OE1 2.84Å; G25-E28 PolarHBondContact O-N 2.98Å; G25-E28 VanDerWaalsContact O-N 3.16Å
26	Y	94.1	Very high	93.3	Very high	216 Å²	216	72.9 Å²	72.9	85%	0.847	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.4	-179.3	72.1	-98.6	0	0	0	113.7
27	W	90.4	Very high	93.7	Very high	163 Å²	163	74 Å²	74	62%	0.617	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4.7	-179.8	58.5	86.9	0	0	0	113.2	G25	G25-W27 PolarHBondContact O-N 3.24Å
28	E	92.4	Very high	94	Very high	13 Å²	13	76.7 Å²	76.7	6%	0.061	35%	0.354	C	S	.	.			trans	-82.3	124.6	-178.1	-68.3	-177.8	-102.8	0	0	111.4	R24 G25 H32 W33 R36	R24-E28 PolarHBondContact NH2-O 3.01Å; G25-E28 PolarHBondContact N-OE1 2.84Å; G25-E28 PolarHBondContact O-N 2.98Å; G25-E28 VanDerWaalsContact O-N 3.16Å; E28-H32 HydrophobicContact CB-CB 4.44Å; E28-W33 HydrophobicContact CB-CB 4.38Å; E28-R36 IonicContact OE1-CZ 2.69Å; E28-R36 IonicContact OE1-NE 3.02Å; E28-R36 PolarHBondContact OE1-NE 3.4Å; E28-R36 IonicContact OE1-NH2 3.8Å; E28-R36 PolarHBondContact OE1-NH2 2.94Å; E28-R36 IonicContact OE2-CZ 3.4Å; E28-R36 IonicContact OE2-NE 3.34Å; E28-R36 PolarHBondContact OE2-NE 3.37Å; E28-R36 IonicContact OE2-NH2 2.69Å
29	S	91.3	Very high	94.3	Very high	62 Å²	62	70 Å²	70	43%	0.434	32%	0.323	S	S	.	.			trans	-64.8	158.7	165.9	65.7	0	0	0	0	110.8	K31 H32 W33	S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 3.13Å; S29-H32 WeakPolarHBondContact O-CB 3.49Å; S29-H32 PolarHBondContact O-N 3.42Å; S29-H32 VanDerWaalsContact O-N 3.12Å; S29-H32 PolarHBondContact OG-N 3.42Å; S29-H32 PolarHBondContact OG-ND1 3.12Å; S29-W33 PolarHBondContact O-N 2.98Å
30	D	92.3	Very high	94.5	Very high	109 Å²	109	66.1 Å²	66.1	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-58.9	-41	179.9	-64.9	-38.1	0	0	0	112.1	R24 H32 W33 E34	R24-D30 IonicContact CZ-OD1 3.64Å; R24-D30 VanDerWaalsContact CZ-OD1 3.3Å; R24-D30 IonicContact NH1-OD1 2.8Å; R24-D30 PolarHBondContact NH1-OD1 2.86Å; R24-D30 IonicContact NH2-OD1 3.3Å; R24-D30 PolarHBondContact NH2-OD1 3.5Å; D30-H32 VanDerWaalsContact C-N 3.33Å; D30-H32 PolarHBondContact O-N 2.87Å; D30-W33 PolarHBondContact O-N 3.28Å; D30-E34 WeakPolarHBondContact O-CB 3.03Å; D30-E34 PolarHBondContact O-N 3.27Å
31	K	89.1	Confident	94.4	Very high	127 Å²	127	68.5 Å²	68.5	55%	0.552	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-40.6	176	-66.7	-168.5	173.2	-161.6	0	113	S29 F67 D91	S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 3.13Å; K31-F67 WeakPolarHBondContact O-CZ 3.27Å; K31-D91 IonicContact NZ-OD2 3.67Å
32	H	91.9	Very high	94.3	Very high	37 Å²	37	69.9 Å²	69.9	17%	0.171	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-49.4	174.9	-96.2	108.1	0	0	0	110.9	E28 S29 D30 R36 F67	E28-H32 HydrophobicContact CB-CB 4.44Å; S29-H32 WeakPolarHBondContact O-CB 3.49Å; S29-H32 PolarHBondContact O-N 3.42Å; S29-H32 VanDerWaalsContact O-N 3.12Å; S29-H32 PolarHBondContact OG-N 3.42Å; S29-H32 PolarHBondContact OG-ND1 3.12Å; D30-H32 VanDerWaalsContact C-N 3.33Å; D30-H32 PolarHBondContact O-N 2.87Å; H32-R36 WeakPolarHBondContact O-CB 3.31Å; H32-R36 PolarHBondContact O-N 3.39Å; H32-F67 AromaticContact CD2-CD2 3.35Å; H32-F67 WeakPolarHBondContact CD2-CD2 3.42Å; H32-F67 AromaticContact CD2-CG 3.61Å; H32-F67 VanDerWaalsContact CE1-CB 3.4Å; H32-F67 WeakPolarHBondContact CE1-CB 3.42Å; H32-F67 AromaticContact CG-CD2 3.98Å; H32-F67 WeakPolarHBondContact NE2-CB 3.47Å; H32-F67 AromaticContact NE2-CD2 3.78Å; H32-F67 AromaticContact NE2-CG 3.61Å
33	W	95.6	Very high	94.3	Very high	13 Å²	13	65.5 Å²	65.5	5%	0.049	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-45.1	-174.9	173.7	-121.3	0	0	0	111.7	V20 E21 F23 R24 E28 S29 D30 A35 R36 R37 I40	V20-W33 HydrophobicContact CG1-CH2 4.04Å; V20-W33 HydrophobicContact CG1-CZ2 4.31Å; V20-W33 VanDerWaalsContact O-CH2 3.24Å; V20-W33 WeakPolarHBondContact O-CH2 3.3Å; E21-W33 PolarHBondContact OE2-NE1 3.48Å; E21-W33 VanDerWaalsContact OE2-NE1 3.14Å; F23-W33 HydrophobicContact CB-CH2 4.3Å; R24-W33 HydrophobicContact CB-CD2 3.69Å; R24-W33 HydrophobicContact CB-CE3 3.83Å; R24-W33 HydrophobicContact CB-CG 4.32Å; R24-W33 HydrophobicContact CB-CH2 4.08Å; R24-W33 HydrophobicContact CB-CZ2 3.92Å; R24-W33 HydrophobicContact CB-CZ3 4.04Å; R24-W33 HydrophobicContact CG-CB 4.25Å; R24-W33 HydrophobicContact CG-CD2 3.54Å; R24-W33 HydrophobicContact CG-CE3 3.87Å; R24-W33 HydrophobicContact CG-CG 3.68Å; E28-W33 HydrophobicContact CB-CB 4.38Å; S29-W33 PolarHBondContact O-N 2.98Å; D30-W33 PolarHBondContact O-N 3.28Å; W33-A35 PolarHBondContact O-N 3.07Å; W33-R36 PolarHBondContact O-N 3.41Å; W33-R37 HydrophobicContact CD2-CB 4.16Å; W33-R37 HydrophobicContact CE3-CB 4.38Å; W33-R37 HydrophobicContact CH2-CB 4Å; W33-R37 HydrophobicContact CH2-CG 4.35Å; W33-R37 HydrophobicContact CZ2-CB 3.77Å; W33-R37 HydrophobicContact CZ2-CG 3.87Å; W33-R37 HydrophobicContact CZ3-CB 4.3Å; W33-R37 WeakPolarHBondContact O-CB 3.08Å; W33-R37 PolarHBondContact O-N 3.23Å; W33-I40 HydrophobicContact CH2-CD1 4.33Å; W33-I40 HydrophobicContact CZ3-CD1 4.17Å
34	E	94.9	Very high	94	Very high	140 Å²	140	64.9 Å²	64.9	65%	0.654	29%	0.29	S	S	*	.	H	α-helix	trans	-57.7	-48	-178.5	-176.3	170.9	-162.4	0	0	111.8	D30 E38	D30-E34 WeakPolarHBondContact O-CB 3.03Å; D30-E34 PolarHBondContact O-N 3.27Å; E34-E38 PolarHBondContact O-N 3.47Å; E34-E38 VanDerWaalsContact O-N 3.13Å
35	A	95	Very high	93.6	Very high	8 Å²	8	65.1 Å²	65.1	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-43.8	176.2	0	0	0	0	0	112.2	W33 E38 F39 W62 F67 V89	W33-A35 PolarHBondContact O-N 3.07Å; A35-E38 PolarHBondContact O-N 2.65Å; A35-F39 PolarHBondContact O-N 3.14Å; A35-W62 HydrophobicContact CB-CH2 3.91Å; A35-W62 HydrophobicContact CB-CZ3 3.88Å; A35-W62 WeakPolarHBondContact O-CZ3 3.42Å; A35-F67 HydrophobicContact CB-CE2 3.67Å; A35-F67 HydrophobicContact CB-CZ 3.54Å; A35-V89 HydrophobicContact CB-CG2 3.96Å
36	R	96.8	Very high	93.3	Very high	9 Å²	9	70 Å²	70	3%	0.034	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-36.9	-179.8	-167	174.1	77.1	94.7	-7.2	112.2	F23 E28 H32 W33 F39 I40 S59 M60 A63	F23-R36 PolarHBondContact O-NH2 3.13Å; E28-R36 IonicContact OE1-CZ 2.69Å; E28-R36 IonicContact OE1-NE 3.02Å; E28-R36 PolarHBondContact OE1-NE 3.4Å; E28-R36 IonicContact OE1-NH2 3.8Å; E28-R36 PolarHBondContact OE1-NH2 2.94Å; E28-R36 IonicContact OE2-CZ 3.4Å; E28-R36 IonicContact OE2-NE 3.34Å; E28-R36 PolarHBondContact OE2-NE 3.37Å; E28-R36 IonicContact OE2-NH2 2.69Å; H32-R36 WeakPolarHBondContact O-CB 3.31Å; H32-R36 PolarHBondContact O-N 3.39Å; W33-R36 PolarHBondContact O-N 3.41Å; R36-F39 WeakPolarHBondContact O-CB 3.44Å; R36-F39 PolarHBondContact O-N 3.44Å; R36-I40 HydrophobicContact CG-CD1 4.37Å; R36-I40 WeakPolarHBondContact O-CG1 3.36Å; R36-I40 PolarHBondContact O-N 3.23Å; R36-S59 WeakPolarHBondContact CG-OG 3.33Å; R36-S59 PolarHBondContact NH1-OG 3.13Å; R36-M60 WeakPolarHBondContact CD-SD 3.46Å; R36-M60 PolarHBondContact NE-SD 3.03Å; R36-A63 HydrophobicContact CB-CB 4.37Å; R36-A63 HydrophobicContact CG-CB 4.4Å
37	R	96.9	Very high	93	Very high	69 Å²	69	61.7 Å²	61.7	26%	0.26	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-45.8	175	177	-176	172.7	-78	-1.6	111.1	V20 E21 W33 F39 I40 L41	V20-R37 HydrophobicContact CG1-CG 3.86Å; E21-R37 WeakPolarHBondContact OE1-CD 3.24Å; E21-R37 IonicContact OE1-CZ 3.52Å; E21-R37 IonicContact OE1-NE 2.67Å; E21-R37 PolarHBondContact OE1-NE 2.99Å; E21-R37 IonicContact OE1-NH2 3.5Å; E21-R37 PolarHBondContact OE1-NH2 3.09Å; W33-R37 HydrophobicContact CD2-CB 4.16Å; W33-R37 HydrophobicContact CE3-CB 4.38Å; W33-R37 HydrophobicContact CH2-CB 4Å; W33-R37 HydrophobicContact CH2-CG 4.35Å; W33-R37 HydrophobicContact CZ2-CB 3.77Å; W33-R37 HydrophobicContact CZ2-CG 3.87Å; W33-R37 HydrophobicContact CZ3-CB 4.3Å; W33-R37 WeakPolarHBondContact O-CB 3.08Å; W33-R37 PolarHBondContact O-N 3.23Å; R37-F39 VanDerWaalsContact C-N 3.3Å; R37-F39 PolarHBondContact O-N 3.32Å; R37-I40 PolarHBondContact O-N 2.95Å; R37-L41 HydrophobicContact CG-CD1 4.1Å; R37-L41 WeakPolarHBondContact O-CG 3.49Å; R37-L41 PolarHBondContact O-N 2.67Å
38	E	95.9	Very high	92.7	Very high	87 Å²	87	59.9 Å²	59.9	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-41.7	175.4	-171.9	61.3	-160.5	0	0	111.2	E34 A35 I40 L41 R42 I87	E34-E38 PolarHBondContact O-N 3.47Å; E34-E38 VanDerWaalsContact O-N 3.13Å; A35-E38 PolarHBondContact O-N 2.65Å; E38-I40 VanDerWaalsContact C-N 3.33Å; E38-I40 PolarHBondContact O-N 3.02Å; E38-L41 PolarHBondContact O-N 3.34Å; E38-R42 VanDerWaalsContact O-CB 3.3Å; E38-R42 WeakPolarHBondContact O-CB 3.36Å; E38-R42 PolarHBondContact O-N 3.17Å; E38-I87 HydrophobicContact CB-CG2 4.25Å; E38-I87 HydrophobicContact CG-CD1 4.33Å; E38-I87 HydrophobicContact CG-CG1 4.05Å; E38-I87 HydrophobicContact CG-CG2 4.06Å
39	F	97.1	Very high	92	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.6	-45.8	174.1	-173	-74.2	0	0	0	112.1	A35 R36 R37 N43 L55 L58 W62 V80 M83 A84 I87	A35-F39 PolarHBondContact O-N 3.14Å; R36-F39 WeakPolarHBondContact O-CB 3.44Å; R36-F39 PolarHBondContact O-N 3.44Å; R37-F39 VanDerWaalsContact C-N 3.3Å; R37-F39 PolarHBondContact O-N 3.32Å; F39-N43 PolarHBondContact O-N 3.35Å; F39-N43 PolarHBondContact O-ND2 2.87Å; F39-L55 HydrophobicContact CD1-CD1 4.37Å; F39-L55 HydrophobicContact CE1-CD1 4.01Å; F39-L58 HydrophobicContact CE1-CB 4.4Å; F39-W62 HydrophobicContact CB-CE3 4.06Å; F39-W62 HydrophobicContact CB-CZ3 4.09Å; F39-W62 HydrophobicContact CD2-CB 4.11Å; F39-W62 AromaticContact CD2-CD2 3.58Å; F39-W62 HydrophobicContact CD2-CD2 3.58Å; F39-W62 AromaticContact CD2-CE3 3.66Å; F39-W62 HydrophobicContact CD2-CE3 3.66Å; F39-W62 AromaticContact CD2-CG 3.78Å; F39-W62 HydrophobicContact CD2-CG 3.78Å; F39-W62 HydrophobicContact CD2-CZ3 4.29Å; F39-W62 HydrophobicContact CE2-CB 3.79Å; F39-W62 HydrophobicContact CE2-CD2 4.02Å; F39-W62 HydrophobicContact CE2-CE3 4.46Å; F39-W62 AromaticContact CE2-CG 3.69Å; F39-W62 HydrophobicContact CE2-CG 3.69Å; F39-W62 HydrophobicContact CG-CD2 4.46Å; F39-W62 HydrophobicContact CG-CE3 4.11Å; F39-W62 HydrophobicContact CZ-CB 4.34Å; F39-V80 WeakPolarHBondContact CE2-O 3.43Å; F39-V80 HydrophobicContact CZ-CB 4.48Å; F39-M83 HydrophobicContact CE1-CB 4.5Å; F39-M83 HydrophobicContact CE1-CE 3.96Å; F39-M83 HydrophobicContact CE2-CB 3.87Å; F39-M83 HydrophobicContact CZ-CB 3.59Å; F39-M83 HydrophobicContact CZ-CE 3.94Å; F39-M83 HydrophobicContact CZ-SD 4.24Å; F39-A84 HydrophobicContact CD2-CB 3.77Å; F39-A84 HydrophobicContact CE2-CB 3.79Å; F39-I87 VanDerWaalsContact CA-CD1 3.43Å; F39-I87 HydrophobicContact CB-CD1 3.78Å; F39-I87 HydrophobicContact CD2-CD1 4.05Å; F39-I87 HydrophobicContact CG-CD1 4.3Å
40	I	96.6	Very high	91.6	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-54.6	178.4	-66.6	161.1	0	0	0	109.9	V20 F23 W33 R36 R37 E38 R42 N43 M44 L55 L56	V20-I40 HydrophobicContact CG1-CB 4.29Å; V20-I40 HydrophobicContact CG1-CG2 4.03Å; V20-I40 HydrophobicContact CG2-CG2 3.93Å; F23-I40 HydrophobicContact CB-CD1 4.4Å; F23-I40 HydrophobicContact CD2-CD1 4.46Å; F23-I40 HydrophobicContact CD2-CG2 4.36Å; W33-I40 HydrophobicContact CH2-CD1 4.33Å; W33-I40 HydrophobicContact CZ3-CD1 4.17Å; R36-I40 HydrophobicContact CG-CD1 4.37Å; R36-I40 WeakPolarHBondContact O-CG1 3.36Å; R36-I40 PolarHBondContact O-N 3.23Å; R37-I40 PolarHBondContact O-N 2.95Å; E38-I40 VanDerWaalsContact C-N 3.33Å; E38-I40 PolarHBondContact O-N 3.02Å; I40-R42 VanDerWaalsContact C-N 3.29Å; I40-R42 PolarHBondContact O-N 3.13Å; I40-N43 PolarHBondContact O-N 2.98Å; I40-N43 VanDerWaalsContact O-N 3.13Å; I40-M44 HydrophobicContact CG2-SD 4.43Å; I40-M44 VanDerWaalsContact O-CB 3.31Å; I40-M44 WeakPolarHBondContact O-CB 3.44Å; I40-M44 PolarHBondContact O-N 3.18Å; I40-L55 HydrophobicContact CG2-CD2 4.35Å; I40-L56 HydrophobicContact CD1-CD2 3.78Å; I40-L56 HydrophobicContact CG1-CD2 4.15Å
41	L	94.2	Very high	91.5	Very high	51 Å²	51	68.5 Å²	68.5	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-56.8	-42	-176.4	-76.3	167.6	0	0	0	112.5	V20 R37 E38 N43	V20-L41 HydrophobicContact CB-CD2 4.28Å; V20-L41 HydrophobicContact CG1-CG 4.28Å; V20-L41 HydrophobicContact CG2-CD2 3.7Å; V20-L41 HydrophobicContact CG2-CG 4.21Å; R37-L41 HydrophobicContact CG-CD1 4.1Å; R37-L41 WeakPolarHBondContact O-CG 3.49Å; R37-L41 PolarHBondContact O-N 2.67Å; E38-L41 PolarHBondContact O-N 3.34Å; L41-N43 VanDerWaalsContact C-N 3.32Å; L41-N43 PolarHBondContact O-N 3.36Å
42	R	93.4	Very high	91.6	Very high	113 Å²	113	63.6 Å²	63.6	43%	0.426	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-39.3	179.3	-177.8	-179.6	-176.8	106.3	-0.3	113	E38 I40 E85	E38-R42 VanDerWaalsContact O-CB 3.3Å; E38-R42 WeakPolarHBondContact O-CB 3.36Å; E38-R42 PolarHBondContact O-N 3.17Å; I40-R42 VanDerWaalsContact C-N 3.29Å; I40-R42 PolarHBondContact O-N 3.13Å; R42-E85 PolarHBondContact NE-O 3.02Å; R42-E85 PolarHBondContact NH1-O 3.05Å; R42-E85 PolarHBondContact NH2-O 3.3Å
43	N	94.8	Very high	91.7	Very high	11 Å²	11	67.7 Å²	67.7	6%	0.059	34%	0.338	C	S	.	.	H	α-helix	trans	-98.3	-12.1	-172.7	-69.5	-89.5	0	0	0	112.2	F39 I40 L41 S45 D46 F47 L55 M83	F39-N43 PolarHBondContact O-N 3.35Å; F39-N43 PolarHBondContact O-ND2 2.87Å; I40-N43 PolarHBondContact O-N 2.98Å; I40-N43 VanDerWaalsContact O-N 3.13Å; L41-N43 VanDerWaalsContact C-N 3.32Å; L41-N43 PolarHBondContact O-N 3.36Å; N43-S45 PolarHBondContact O-N 3.37Å; N43-S45 VanDerWaalsContact O-N 3.16Å; N43-D46 PolarHBondContact O-N 3.05Å; N43-F47 HydrophobicContact CB-CD2 4.47Å; N43-F47 HydrophobicContact CB-CE2 4.23Å; N43-F47 VanDerWaalsContact O-CD2 3.27Å; N43-F47 WeakPolarHBondContact O-CD2 3.47Å; N43-L55 HydrophobicContact CB-CD1 3.56Å; N43-L55 HydrophobicContact CB-CD2 4.37Å; N43-M83 HydrophobicContact CB-CE 4.06Å; N43-M83 PolarHBondContact ND2-O 2.84Å; N43-M83 WeakPolarHBondContact OD1-CB 3.41Å; N43-M83 WeakPolarHBondContact OD1-CE 3.3Å
44	M	90.4	Very high	91.7	Very high	29 Å²	29	71.7 Å²	71.7	14%	0.143	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-60.5	-30.6	-171	-158.3	170.7	-175.8	0	0	113.6	T16 V20 F23 I40 D46 L52 L55	T16-M44 HydrophobicContact CG2-CE 4.38Å; T16-M44 HydrophobicContact CG2-SD 3.63Å; V20-M44 HydrophobicContact CG2-CE 4.29Å; V20-M44 HydrophobicContact CG2-SD 3.59Å; V20-M44 VanDerWaalsContact CG2-SD 3.59Å; F23-M44 HydrophobicContact CE2-CE 4.22Å; I40-M44 HydrophobicContact CG2-SD 4.43Å; I40-M44 VanDerWaalsContact O-CB 3.31Å; I40-M44 WeakPolarHBondContact O-CB 3.44Å; I40-M44 PolarHBondContact O-N 3.18Å; M44-D46 VanDerWaalsContact C-N 3.27Å; M44-D46 PolarHBondContact O-N 3.2Å; M44-L52 HydrophobicContact CE-CD1 4.11Å; M44-L55 HydrophobicContact CB-CD2 4.3Å; M44-L55 HydrophobicContact CG-CD2 4.47Å
45	S	88.4	Confident	91.8	Very high	102 Å²	102	65 Å²	65	71%	0.713	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-68.7	-24.1	176.9	54.6	0	0	0	0	113.9	N43	N43-S45 PolarHBondContact O-N 3.37Å; N43-S45 VanDerWaalsContact O-N 3.16Å
46	D	88.2	Confident	91.9	Very high	111 Å²	111	66 Å²	66	59%	0.594	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-91.5	-7.7	-174.1	-58.5	-19	0	0	0	112.1	N43 M44	N43-D46 PolarHBondContact O-N 3.05Å; M44-D46 VanDerWaalsContact C-N 3.27Å; M44-D46 PolarHBondContact O-N 3.2Å
47	F	87.8	Confident	91.9	Very high	42 Å²	42	69 Å²	69	18%	0.184	35%	0.352	C	S	.	.	S	Bend	trans	-110.5	128.5	179.4	-73.2	-106	0	0	0	109.9	N43 R51 L55 L58 M83	N43-F47 HydrophobicContact CB-CD2 4.47Å; N43-F47 HydrophobicContact CB-CE2 4.23Å; N43-F47 VanDerWaalsContact O-CD2 3.27Å; N43-F47 WeakPolarHBondContact O-CD2 3.47Å; F47-R51 HydrophobicContact CD1-CB 4.07Å; F47-L55 HydrophobicContact CB-CB 4.5Å; F47-L55 HydrophobicContact CB-CD2 4.47Å; F47-L55 HydrophobicContact CD1-CB 3.84Å; F47-L55 HydrophobicContact CD2-CB 4.24Å; F47-L55 HydrophobicContact CD2-CD1 4.21Å; F47-L55 HydrophobicContact CD2-CD2 4.21Å; F47-L55 HydrophobicContact CD2-CG 4.45Å; F47-L55 HydrophobicContact CE1-CB 4.05Å; F47-L55 HydrophobicContact CE2-CB 4.44Å; F47-L55 HydrophobicContact CE2-CD1 3.98Å; F47-L55 HydrophobicContact CG-CB 3.93Å; F47-L55 HydrophobicContact CG-CD2 4.34Å; F47-L55 HydrophobicContact CZ-CB 4.35Å; F47-L55 HydrophobicContact CZ-CD1 4.3Å; F47-L58 HydrophobicContact CE1-CD1 4.37Å; F47-L58 HydrophobicContact CZ-CD1 4.08Å; F47-M83 HydrophobicContact CE2-CE 3.68Å; F47-M83 HydrophobicContact CZ-CE 3.68Å
48	E	83.1	Confident	92	Very high	125 Å²	125	66.1 Å²	66.1	58%	0.584	34%	0.342	S	S	*	.			trans	-66.5	154.3	167.4	-69.1	178.4	-140.4	0	0	110	D50 R51 L52	E48-D50 WeakPolarHBondContact CB-OD1 3.49Å; E48-D50 PolarHBondContact O-N 3.41Å; E48-D50 VanDerWaalsContact O-N 3.12Å; E48-R51 WeakPolarHBondContact O-CA 3.45Å; E48-R51 PolarHBondContact O-N 3.4Å; E48-L52 PolarHBondContact O-N 3.1Å
49	T	77.8	Confident	92.1	Very high	129 Å²	129	62 Å²	62	79%	0.791	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-55.4	-33.3	-175.9	-51.5	0	0	0	0	112.9	R51 L52	T49-R51 VanDerWaalsContact C-N 3.26Å; T49-R51 PolarHBondContact O-N 3.42Å; T49-L52 WeakPolarHBondContact O-CB 3.34Å; T49-L52 PolarHBondContact O-N 2.89Å
50	D	83.3	Confident	92.1	Very high	121 Å²	121	64.1 Å²	64.1	65%	0.647	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-72.4	-15.9	177.8	69.1	-31	0	0	0	113.7	E48	E48-D50 WeakPolarHBondContact CB-OD1 3.49Å; E48-D50 PolarHBondContact O-N 3.41Å; E48-D50 VanDerWaalsContact O-N 3.12Å
51	R	90.5	Very high	92.1	Very high	115 Å²	115	65.1 Å²	65.1	43%	0.434	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-106.9	10.9	177.4	-62.2	-168.6	-68.2	168	1.9	112.9	F47 E48 T49 D53 H54 L55	F47-R51 HydrophobicContact CD1-CB 4.07Å; E48-R51 WeakPolarHBondContact O-CA 3.45Å; E48-R51 PolarHBondContact O-N 3.4Å; T49-R51 VanDerWaalsContact C-N 3.26Å; T49-R51 PolarHBondContact O-N 3.42Å; R51-D53 VanDerWaalsContact C-N 3.33Å; R51-D53 PolarHBondContact O-N 2.65Å; R51-H54 VanDerWaalsContact O-CB 3.26Å; R51-H54 WeakPolarHBondContact O-CB 3.34Å; R51-H54 PolarHBondContact O-N 3.05Å; R51-H54 VanDerWaalsContact O-N 3.1Å; R51-L55 PolarHBondContact O-N 3.2Å
52	L	91.4	Very high	92.2	Very high	24 Å²	24	63.5 Å²	63.5	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-40.5	179.9	-172.7	60.2	0	0	0	112.3	F23 M44 E48 T49 H54 L55 L56	F23-L52 HydrophobicContact CE1-CD2 4.23Å; F23-L52 HydrophobicContact CE2-CD2 4.41Å; F23-L52 HydrophobicContact CZ-CD2 3.64Å; F23-L52 HydrophobicContact CZ-CG 4.35Å; M44-L52 HydrophobicContact CE-CD1 4.11Å; E48-L52 PolarHBondContact O-N 3.1Å; T49-L52 WeakPolarHBondContact O-CB 3.34Å; T49-L52 PolarHBondContact O-N 2.89Å; L52-H54 PolarHBondContact O-N 3.4Å; L52-L55 HydrophobicContact CD1-CD2 4.25Å; L52-L55 WeakPolarHBondContact O-CB 3.33Å; L52-L55 PolarHBondContact O-N 3Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.69Å
53	D	94.3	Very high	92.3	Very high	123 Å²	123	58.2 Å²	58.2	66%	0.658	31%	0.31	S	S	*	.	H	α-helix	trans	-60.5	-32.7	176.5	-69.6	-23.4	0	0	0	112.6	R51 S57	R51-D53 VanDerWaalsContact C-N 3.33Å; R51-D53 PolarHBondContact O-N 2.65Å; D53-S57 WeakPolarHBondContact O-CB 3.26Å; D53-S57 PolarHBondContact O-N 3.36Å; D53-S57 PolarHBondContact O-OG 3.32Å
54	H	95.9	Very high	92.3	Very high	96 Å²	96	59.3 Å²	59.3	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-47	174.5	-164.7	150.1	0	0	0	109.9	R51 L52 L56 S57 L58	R51-H54 VanDerWaalsContact O-CB 3.26Å; R51-H54 WeakPolarHBondContact O-CB 3.34Å; R51-H54 PolarHBondContact O-N 3.05Å; R51-H54 VanDerWaalsContact O-N 3.1Å; L52-H54 PolarHBondContact O-N 3.4Å; H54-L56 VanDerWaalsContact C-N 3.34Å; H54-L56 PolarHBondContact O-N 2.84Å; H54-S57 WeakPolarHBondContact O-CB 3.39Å; H54-S57 PolarHBondContact O-N 2.74Å; H54-L58 VanDerWaalsContact CD2-CD1 3.43Å; H54-L58 WeakPolarHBondContact CD2-CD1 3.47Å; H54-L58 WeakPolarHBondContact O-CG 3.35Å; H54-L58 PolarHBondContact O-N 3.02Å
55	L	96.9	Very high	92.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-46.5	175.1	173.1	59.2	0	0	0	111.5	F39 I40 N43 M44 F47 R51 L52 S57 L58 S59 M83	F39-L55 HydrophobicContact CD1-CD1 4.37Å; F39-L55 HydrophobicContact CE1-CD1 4.01Å; I40-L55 HydrophobicContact CG2-CD2 4.35Å; N43-L55 HydrophobicContact CB-CD1 3.56Å; N43-L55 HydrophobicContact CB-CD2 4.37Å; M44-L55 HydrophobicContact CB-CD2 4.3Å; M44-L55 HydrophobicContact CG-CD2 4.47Å; F47-L55 HydrophobicContact CB-CB 4.5Å; F47-L55 HydrophobicContact CB-CD2 4.47Å; F47-L55 HydrophobicContact CD1-CB 3.84Å; F47-L55 HydrophobicContact CD2-CB 4.24Å; F47-L55 HydrophobicContact CD2-CD1 4.21Å; F47-L55 HydrophobicContact CD2-CD2 4.21Å; F47-L55 HydrophobicContact CD2-CG 4.45Å; F47-L55 HydrophobicContact CE1-CB 4.05Å; F47-L55 HydrophobicContact CE2-CB 4.44Å; F47-L55 HydrophobicContact CE2-CD1 3.98Å; F47-L55 HydrophobicContact CG-CB 3.93Å; F47-L55 HydrophobicContact CG-CD2 4.34Å; F47-L55 HydrophobicContact CZ-CB 4.35Å; F47-L55 HydrophobicContact CZ-CD1 4.3Å; R51-L55 PolarHBondContact O-N 3.2Å; L52-L55 HydrophobicContact CD1-CD2 4.25Å; L52-L55 WeakPolarHBondContact O-CB 3.33Å; L52-L55 PolarHBondContact O-N 3Å; L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 3.22Å; L55-S59 PolarHBondContact O-N 2.72Å; L55-M83 HydrophobicContact CD1-CE 4.01Å
56	L	96.6	Very high	92.6	Very high	29 Å²	29	56.5 Å²	56.5	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-41.7	177.7	-64.8	-179.5	0	0	0	111.3	F23 I40 L52 H54 S59 M60	F23-L56 HydrophobicContact CB-CD2 3.9Å; F23-L56 HydrophobicContact CD1-CD1 3.66Å; F23-L56 HydrophobicContact CD1-CD2 4.06Å; F23-L56 HydrophobicContact CD2-CD2 3.69Å; F23-L56 HydrophobicContact CE1-CD1 3.96Å; F23-L56 HydrophobicContact CE2-CD2 4.27Å; F23-L56 HydrophobicContact CG-CD1 4.09Å; F23-L56 HydrophobicContact CG-CD2 3.6Å; I40-L56 HydrophobicContact CD1-CD2 3.78Å; I40-L56 HydrophobicContact CG1-CD2 4.15Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.69Å; H54-L56 VanDerWaalsContact C-N 3.34Å; H54-L56 PolarHBondContact O-N 2.84Å; L56-S59 PolarHBondContact O-N 3.17Å; L56-S59 PolarHBondContact O-OG 2.96Å; L56-M60 WeakPolarHBondContact O-CG 3.33Å; L56-M60 PolarHBondContact O-N 3.42Å; L56-M60 VanDerWaalsContact O-N 3.1Å
57	S	97.3	Very high	92.8	Very high	73 Å²	73	52.6 Å²	52.6	51%	0.51	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-43.2	175.6	-59.6	0	0	0	0	112.5	D53 H54 L55 S59 M60 V61	D53-S57 WeakPolarHBondContact O-CB 3.26Å; D53-S57 PolarHBondContact O-N 3.36Å; D53-S57 PolarHBondContact O-OG 3.32Å; H54-S57 WeakPolarHBondContact O-CB 3.39Å; H54-S57 PolarHBondContact O-N 2.74Å; L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 2.92Å; S57-S59 VanDerWaalsContact C-N 3.34Å; S57-S59 PolarHBondContact O-N 3.44Å; S57-M60 PolarHBondContact O-N 3.49Å; S57-V61 WeakPolarHBondContact O-CG2 3.38Å; S57-V61 PolarHBondContact O-N 3.44Å
58	L	98	Very high	92.9	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-39.2	176.3	-69.3	166.8	0	0	0	111.7	F39 F47 H54 L55 M60 V61 W62 L76 V80 M83	F39-L58 HydrophobicContact CE1-CB 4.4Å; F47-L58 HydrophobicContact CE1-CD1 4.37Å; F47-L58 HydrophobicContact CZ-CD1 4.08Å; H54-L58 VanDerWaalsContact CD2-CD1 3.43Å; H54-L58 WeakPolarHBondContact CD2-CD1 3.47Å; H54-L58 WeakPolarHBondContact O-CG 3.35Å; H54-L58 PolarHBondContact O-N 3.02Å; L55-L58 PolarHBondContact O-N 3.22Å; L58-M60 VanDerWaalsContact C-N 3.27Å; L58-M60 PolarHBondContact O-N 2.69Å; L58-V61 PolarHBondContact O-N 3.02Å; L58-W62 PolarHBondContact O-N 3.5Å; L58-L76 HydrophobicContact CD2-CD1 3.77Å; L58-V80 HydrophobicContact CB-CG1 4.18Å; L58-V80 HydrophobicContact CD2-CG1 3.68Å; L58-M83 HydrophobicContact CD1-CE 3.98Å; L58-M83 HydrophobicContact CD1-SD 3.87Å
59	S	97.4	Very high	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-38.8	175.8	81.7	0	0	0	0	111.8	R36 L55 L56 S57 A63	R36-S59 WeakPolarHBondContact CG-OG 3.33Å; R36-S59 PolarHBondContact NH1-OG 3.13Å; L55-S59 PolarHBondContact O-N 2.72Å; L56-S59 PolarHBondContact O-N 3.17Å; L56-S59 PolarHBondContact O-OG 2.96Å; S57-S59 VanDerWaalsContact C-N 3.34Å; S57-S59 PolarHBondContact O-N 3.44Å; S59-A63 WeakPolarHBondContact O-CB 3.36Å; S59-A63 PolarHBondContact O-N 3.21Å
60	M	97	Very high	93.9	Very high	45 Å²	45	46.3 Å²	46.3	22%	0.222	24%	0.243	C	C	.	.	H	α-helix	trans	-69.7	-42.9	175.8	-71.4	-59.5	-57.8	0	0	111.8	R36 L56 S57 L58 W62 A63 N64	R36-M60 WeakPolarHBondContact CD-SD 3.46Å; R36-M60 PolarHBondContact NE-SD 3.03Å; L56-M60 WeakPolarHBondContact O-CG 3.33Å; L56-M60 PolarHBondContact O-N 3.42Å; L56-M60 VanDerWaalsContact O-N 3.1Å; S57-M60 PolarHBondContact O-N 3.49Å; L58-M60 VanDerWaalsContact C-N 3.27Å; L58-M60 PolarHBondContact O-N 2.69Å; M60-W62 VanDerWaalsContact C-N 3.31Å; M60-W62 PolarHBondContact O-N 3.32Å; M60-A63 PolarHBondContact O-N 3.45Å; M60-N64 VanDerWaalsContact O-CB 3.23Å; M60-N64 WeakPolarHBondContact O-CB 3.42Å; M60-N64 PolarHBondContact O-N 2.86Å; M60-N64 PolarHBondContact O-ND2 3.33Å; M60-N64 PolarHBondContact O-OD1 2.94Å
61	V	97.5	Very high	94.2	Very high	21 Å²	21	47 Å²	47	13%	0.127	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-46.5	176.3	167.7	0	0	0	0	110.7	S57 L58 N65 Y72 L76 V80	S57-V61 WeakPolarHBondContact O-CG2 3.38Å; S57-V61 PolarHBondContact O-N 3.44Å; L58-V61 PolarHBondContact O-N 3.02Å; V61-N65 WeakPolarHBondContact O-CB 3.39Å; V61-N65 PolarHBondContact O-N 2.95Å; V61-Y72 HydrophobicContact CB-CE2 4.45Å; V61-Y72 HydrophobicContact CG1-CD1 4.36Å; V61-Y72 HydrophobicContact CG1-CD2 3.77Å; V61-Y72 HydrophobicContact CG1-CE1 4.44Å; V61-Y72 HydrophobicContact CG1-CE2 3.86Å; V61-Y72 HydrophobicContact CG1-CG 4.04Å; V61-Y72 HydrophobicContact CG2-CE1 4.18Å; V61-L76 HydrophobicContact CG1-CD2 3.97Å; V61-L76 HydrophobicContact CG1-CG 4.12Å; V61-L76 HydrophobicContact CG2-CD2 4.41Å; V61-V80 HydrophobicContact CG1-CG1 4.25Å; V61-V80 HydrophobicContact CG1-CG2 4.37Å
62	W	97.1	Very high	94.4	Very high	18 Å²	18	45.6 Å²	45.6	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-52.5	176.9	179.5	75.2	0	0	0	111.8	A35 F39 L58 M60 N64 N65 V66 V80 A84 I87 V89	A35-W62 HydrophobicContact CB-CH2 3.91Å; A35-W62 HydrophobicContact CB-CZ3 3.88Å; A35-W62 WeakPolarHBondContact O-CZ3 3.42Å; F39-W62 HydrophobicContact CB-CE3 4.06Å; F39-W62 HydrophobicContact CB-CZ3 4.09Å; F39-W62 HydrophobicContact CD2-CB 4.11Å; F39-W62 AromaticContact CD2-CD2 3.58Å; F39-W62 HydrophobicContact CD2-CD2 3.58Å; F39-W62 AromaticContact CD2-CE3 3.66Å; F39-W62 HydrophobicContact CD2-CE3 3.66Å; F39-W62 AromaticContact CD2-CG 3.78Å; F39-W62 HydrophobicContact CD2-CG 3.78Å; F39-W62 HydrophobicContact CD2-CZ3 4.29Å; F39-W62 HydrophobicContact CE2-CB 3.79Å; F39-W62 HydrophobicContact CE2-CD2 4.02Å; F39-W62 HydrophobicContact CE2-CE3 4.46Å; F39-W62 AromaticContact CE2-CG 3.69Å; F39-W62 HydrophobicContact CE2-CG 3.69Å; F39-W62 HydrophobicContact CG-CD2 4.46Å; F39-W62 HydrophobicContact CG-CE3 4.11Å; F39-W62 HydrophobicContact CZ-CB 4.34Å; L58-W62 PolarHBondContact O-N 3.5Å; M60-W62 VanDerWaalsContact C-N 3.31Å; M60-W62 PolarHBondContact O-N 3.32Å; W62-N64 PolarHBondContact O-N 3.23Å; W62-N65 WeakPolarHBondContact O-CB 3.47Å; W62-N65 PolarHBondContact O-N 3.38Å; W62-N65 VanDerWaalsContact O-N 3.14Å; W62-V66 HydrophobicContact CD2-CG2 4.26Å; W62-V66 HydrophobicContact CG-CG2 4.49Å; W62-V66 HydrophobicContact CZ2-CG2 4.16Å; W62-V66 WeakPolarHBondContact O-CG2 3.43Å; W62-V66 PolarHBondContact O-N 2.94Å; W62-V80 HydrophobicContact CB-CB 4.04Å; W62-V80 HydrophobicContact CB-CG2 4.15Å; W62-A84 HydrophobicContact CD2-CB 4.13Å; W62-A84 VanDerWaalsContact CE2-CB 3.41Å; W62-A84 HydrophobicContact CG-CB 4.28Å; W62-A84 HydrophobicContact CZ2-CB 3.79Å; W62-I87 HydrophobicContact CH2-CB 4.41Å; W62-I87 HydrophobicContact CH2-CD1 4.46Å; W62-I87 HydrophobicContact CH2-CG2 3.77Å; W62-I87 HydrophobicContact CZ2-CB 4.44Å; W62-I87 HydrophobicContact CZ2-CG2 4.25Å; W62-V89 HydrophobicContact CH2-CG2 3.76Å; W62-V89 HydrophobicContact CZ2-CG2 4.06Å
63	A	95.1	Very high	94.7	Very high	1 Å²	1	48 Å²	48	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-46.3	-179.6	0	0	0	0	0	111.8	R36 S59 M60 N65 V66 F67	R36-A63 HydrophobicContact CB-CB 4.37Å; R36-A63 HydrophobicContact CG-CB 4.4Å; S59-A63 WeakPolarHBondContact O-CB 3.36Å; S59-A63 PolarHBondContact O-N 3.21Å; M60-A63 PolarHBondContact O-N 3.45Å; A63-N65 VanDerWaalsContact C-N 3.28Å; A63-N65 PolarHBondContact O-N 3.24Å; A63-V66 PolarHBondContact O-N 3.42Å; A63-F67 HydrophobicContact CB-CD2 4.24Å; A63-F67 WeakPolarHBondContact O-CB 3.41Å; A63-F67 VanDerWaalsContact O-CD2 3.27Å; A63-F67 WeakPolarHBondContact O-CD2 3.27Å; A63-F67 PolarHBondContact O-N 3.2Å
64	N	94.5	Very high	94.7	Very high	34 Å²	34	46 Å²	46	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-36.2	177.5	-68.7	-13.2	0	0	0	112.2	M60 W62 M68 G69 C70	M60-N64 VanDerWaalsContact O-CB 3.23Å; M60-N64 WeakPolarHBondContact O-CB 3.42Å; M60-N64 PolarHBondContact O-N 2.86Å; M60-N64 PolarHBondContact O-ND2 3.33Å; M60-N64 PolarHBondContact O-OD1 2.94Å; W62-N64 PolarHBondContact O-N 3.23Å; N64-M68 CarbonylContact O-C 3.37Å; N64-M68 WeakPolarHBondContact O-CA 3.35Å; N64-M68 VanDerWaalsContact O-CB 3.26Å; N64-M68 WeakPolarHBondContact O-CB 3.23Å; N64-M68 PolarHBondContact O-N 3.41Å; N64-G69 PolarHBondContact O-N 2.98Å; N64-C70 HydrophobicContact CB-CB 3.99Å; N64-C70 PolarHBondContact O-N 3.22Å; N64-C70 VanDerWaalsContact O-N 3.11Å
65	N	93.9	Very high	94.8	Very high	44 Å²	44	44.7 Å²	44.7	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-48.6	174.7	178.3	-109.2	0	0	0	111.6	V61 W62 A63 G69 C70 L77	V61-N65 WeakPolarHBondContact O-CB 3.39Å; V61-N65 PolarHBondContact O-N 2.95Å; W62-N65 WeakPolarHBondContact O-CB 3.47Å; W62-N65 PolarHBondContact O-N 3.38Å; W62-N65 VanDerWaalsContact O-N 3.14Å; A63-N65 VanDerWaalsContact C-N 3.28Å; A63-N65 PolarHBondContact O-N 3.24Å; N65-G69 VanDerWaalsContact O-CA 3.32Å; N65-G69 WeakPolarHBondContact O-CA 3.39Å; N65-G69 PolarHBondContact O-N 3.37Å; N65-C70 PolarHBondContact ND2-O 3.14Å; N65-L77 HydrophobicContact CB-CD2 3.92Å
66	V	91.8	Very high	94.8	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.17	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-41.7	-175.6	171.1	0	0	0	0	112.5	W62 A63 V89 A92 F95	W62-V66 HydrophobicContact CD2-CG2 4.26Å; W62-V66 HydrophobicContact CG-CG2 4.49Å; W62-V66 HydrophobicContact CZ2-CG2 4.16Å; W62-V66 WeakPolarHBondContact O-CG2 3.43Å; W62-V66 PolarHBondContact O-N 2.94Å; A63-V66 PolarHBondContact O-N 3.42Å; V66-V89 HydrophobicContact CG1-CG1 4.18Å; V66-V89 HydrophobicContact CG1-CG2 4.36Å; V66-A92 HydrophobicContact CG1-CB 4.41Å; V66-F95 WeakPolarHBondContact O-CE2 3.26Å
67	F	91.2	Very high	94.8	Very high	29 Å²	29	47.5 Å²	47.5	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-107.6	-20.1	-169.5	-66.7	-73.9	0	0	0	114.7	K31 H32 A35 A63 V89 F95	K31-F67 WeakPolarHBondContact O-CZ 3.27Å; H32-F67 AromaticContact CD2-CD2 3.35Å; H32-F67 WeakPolarHBondContact CD2-CD2 3.42Å; H32-F67 AromaticContact CD2-CG 3.61Å; H32-F67 VanDerWaalsContact CE1-CB 3.4Å; H32-F67 WeakPolarHBondContact CE1-CB 3.42Å; H32-F67 AromaticContact CG-CD2 3.98Å; H32-F67 WeakPolarHBondContact NE2-CB 3.47Å; H32-F67 AromaticContact NE2-CD2 3.78Å; H32-F67 AromaticContact NE2-CG 3.61Å; A35-F67 HydrophobicContact CB-CE2 3.67Å; A35-F67 HydrophobicContact CB-CZ 3.54Å; A63-F67 HydrophobicContact CB-CD2 4.24Å; A63-F67 WeakPolarHBondContact O-CB 3.41Å; A63-F67 VanDerWaalsContact O-CD2 3.27Å; A63-F67 WeakPolarHBondContact O-CD2 3.27Å; A63-F67 PolarHBondContact O-N 3.2Å; F67-V89 HydrophobicContact CE1-CG1 3.5Å; F67-V89 HydrophobicContact CZ-CG1 3.46Å; F67-V89 VanDerWaalsContact CZ-CG1 3.46Å; F67-V89 HydrophobicContact CZ-CG2 4.36Å; F67-F95 VanDerWaalsContact O-CZ 3.3Å; F67-F95 WeakPolarHBondContact O-CZ 3.23Å
68	M	89.6	Confident	94.8	Very high	110 Å²	110	49.8 Å²	49.8	54%	0.542	27%	0.274	S	S	.	.	H	α-helix	trans	-118.1	-6.1	179.4	-54	178.5	67.4	0	0	112.8	N64 C70 F95	N64-M68 CarbonylContact O-C 3.37Å; N64-M68 WeakPolarHBondContact O-CA 3.35Å; N64-M68 VanDerWaalsContact O-CB 3.26Å; N64-M68 WeakPolarHBondContact O-CB 3.23Å; N64-M68 PolarHBondContact O-N 3.41Å; M68-C70 PolarHBondContact O-N 3.01Å; M68-F95 VanDerWaalsContact C-CZ 3.44Å
69	G	89.4	Confident	94.7	Very high	12 Å²	12	53.6 Å²	53.6	12%	0.124	29%	0.29	C	S	.	.			trans	69.6	17.2	-179.6	0	0	0	0	0	113.3	N64 N65 R71 F95	N64-G69 PolarHBondContact O-N 2.98Å; N65-G69 VanDerWaalsContact O-CA 3.32Å; N65-G69 WeakPolarHBondContact O-CA 3.39Å; N65-G69 PolarHBondContact O-N 3.37Å; G69-R71 PolarHBondContact O-N 3.27Å; G69-R71 PolarHBondContact O-NH1 3.1Å; G69-F95 VanDerWaalsContact CA-CD2 3.42Å
70	C	92.6	Very high	94.7	Very high	42 Å²	42	53.6 Å²	53.6	28%	0.284	29%	0.291	S	S	.	.			trans	-57.7	141.4	176.5	-68.6	0	0	0	0	110.7	N64 N65 M68 Y72	N64-C70 HydrophobicContact CB-CB 3.99Å; N64-C70 PolarHBondContact O-N 3.22Å; N64-C70 VanDerWaalsContact O-N 3.11Å; N65-C70 PolarHBondContact ND2-O 3.14Å; M68-C70 PolarHBondContact O-N 3.01Å; C70-Y72 HydrophobicContact CB-CE2 3.67Å
71	R	90.9	Very high	94.6	Very high	137 Å²	137	59.1 Å²	59.1	52%	0.517	31%	0.313	S	S	.	.			trans	-108.8	137	-178.3	-60.9	-61.9	-166.2	-104.9	9.9	109.6	G69	G69-R71 PolarHBondContact O-N 3.27Å; G69-R71 PolarHBondContact O-NH1 3.1Å
72	Y	95	Very high	94.6	Very high	84 Å²	84	64.2 Å²	64.2	33%	0.329	34%	0.336	S	S	.	.			trans	-132.6	-179	177	-58.2	-88.3	0	0	0	108.8	V61 C70 L76 L77	V61-Y72 HydrophobicContact CB-CE2 4.45Å; V61-Y72 HydrophobicContact CG1-CD1 4.36Å; V61-Y72 HydrophobicContact CG1-CD2 3.77Å; V61-Y72 HydrophobicContact CG1-CE1 4.44Å; V61-Y72 HydrophobicContact CG1-CE2 3.86Å; V61-Y72 HydrophobicContact CG1-CG 4.04Å; V61-Y72 HydrophobicContact CG2-CE1 4.18Å; C70-Y72 HydrophobicContact CB-CE2 3.67Å; Y72-L76 HydrophobicContact CD1-CD2 4.34Å; Y72-L76 HydrophobicContact CG-CD2 4.39Å; Y72-L77 HydrophobicContact CD2-CD2 3.91Å; Y72-L77 HydrophobicContact CG-CD2 4.49Å
73	S	96.6	Very high	94.6	Very high	75 Å²	75	64.5 Å²	64.5	52%	0.524	34%	0.338	S	S	.	.			trans	-60.2	145.7	174.8	63.1	0	0	0	0	110.9	A75 L76 L77	S73-A75 VanDerWaalsContact C-N 3.28Å; S73-A75 PolarHBondContact O-N 3.45Å; S73-L76 PolarHBondContact O-N 3.12Å; S73-L76 VanDerWaalsContact OG-CB 3.29Å; S73-L76 WeakPolarHBondContact OG-CB 3.34Å; S73-L76 PolarHBondContact OG-N 3.39Å; S73-L77 PolarHBondContact O-N 2.8Å
74	A	95.1	Very high	94.6	Very high	80 Å²	80	64.8 Å²	64.8	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-55.3	-45.1	-178.8	0	0	0	0	0	111.8	L76 L77 E78	A74-L76 VanDerWaalsContact C-N 3.31Å; A74-L76 PolarHBondContact O-N 2.82Å; A74-L77 PolarHBondContact O-N 2.96Å; A74-E78 WeakPolarHBondContact O-CB 3.4Å; A74-E78 PolarHBondContact O-N 3.24Å
75	A	97.3	Very high	94.6	Very high	70 Å²	70	69.9 Å²	69.9	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-60.5	-36.9	177.7	0	0	0	0	0	113.3	S73 K79	S73-A75 VanDerWaalsContact C-N 3.28Å; S73-A75 PolarHBondContact O-N 3.45Å; A75-K79 WeakPolarHBondContact O-CB 3.41Å; A75-K79 PolarHBondContact O-N 3.5Å
76	L	96.7	Very high	94.5	Very high	50 Å²	50	70.8 Å²	70.8	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-71.2	-41.9	177.1	-177.7	60.7	0	0	0	111.1	L58 V61 Y72 S73 A74 K79 V80	L58-L76 HydrophobicContact CD2-CD1 3.77Å; V61-L76 HydrophobicContact CG1-CD2 3.97Å; V61-L76 HydrophobicContact CG1-CG 4.12Å; V61-L76 HydrophobicContact CG2-CD2 4.41Å; Y72-L76 HydrophobicContact CD1-CD2 4.34Å; Y72-L76 HydrophobicContact CG-CD2 4.39Å; S73-L76 PolarHBondContact O-N 3.12Å; S73-L76 VanDerWaalsContact OG-CB 3.29Å; S73-L76 WeakPolarHBondContact OG-CB 3.34Å; S73-L76 PolarHBondContact OG-N 3.39Å; A74-L76 VanDerWaalsContact C-N 3.31Å; A74-L76 PolarHBondContact O-N 2.82Å; L76-K79 PolarHBondContact O-N 3.34Å; L76-V80 HydrophobicContact CD1-CG1 4.44Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 3.16Å
77	L	96.5	Very high	94.5	Very high	37 Å²	37	70.6 Å²	70.6	19%	0.194	38%	0.381	C	S	.	.	H	α-helix	trans	-64.9	-41.1	178.1	-71.8	-178.1	0	0	0	112.4	N65 Y72 S73 A74 V80 K81	N65-L77 HydrophobicContact CB-CD2 3.92Å; Y72-L77 HydrophobicContact CD2-CD2 3.91Å; Y72-L77 HydrophobicContact CG-CD2 4.49Å; S73-L77 PolarHBondContact O-N 2.8Å; A74-L77 PolarHBondContact O-N 2.96Å; L77-V80 HydrophobicContact CD2-CG2 4.47Å; L77-V80 WeakPolarHBondContact O-CG2 3Å; L77-V80 PolarHBondContact O-N 3.18Å; L77-K81 VanDerWaalsContact O-CB 3.23Å; L77-K81 WeakPolarHBondContact O-CB 3.29Å; L77-K81 PolarHBondContact O-N 3.21Å
78	E	97	Very high	94.3	Very high	122 Å²	122	75.1 Å²	75.1	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-59.8	-50.4	174.9	-174.2	171.1	-155.7	0	0	110.8	A74 V80 K81 E82	A74-E78 WeakPolarHBondContact O-CB 3.4Å; A74-E78 PolarHBondContact O-N 3.24Å; E78-V80 PolarHBondContact O-N 3.31Å; E78-K81 WeakPolarHBondContact O-CB 3.47Å; E78-K81 PolarHBondContact O-N 3.35Å; E78-K81 VanDerWaalsContact O-N 3.13Å; E78-E82 WeakPolarHBondContact O-CG 3.36Å; E78-E82 PolarHBondContact O-N 3.03Å
79	K	97.3	Very high	94.2	Very high	86 Å²	86	71.6 Å²	71.6	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-55	-52.1	176	178.1	-178.4	177.2	-176.3	0	112.6	A75 L76 K81 E82 M83	A75-K79 WeakPolarHBondContact O-CB 3.41Å; A75-K79 PolarHBondContact O-N 3.5Å; L76-K79 PolarHBondContact O-N 3.34Å; K79-K81 PolarHBondContact O-N 2.76Å; K79-E82 PolarHBondContact O-N 3.07Å; K79-M83 HydrophobicContact CG-SD 4.21Å; K79-M83 WeakPolarHBondContact O-CG 3.44Å; K79-M83 PolarHBondContact O-N 3.47Å
80	V	97.3	Very high	93.8	Very high	1 Å²	1	78.7 Å²	78.7	1%	0.006	43%	0.425	C	S	.	.	H	α-helix	trans	-69.9	-24.7	-178	-60.5	0	0	0	0	112.4	F39 L58 V61 W62 L76 L77 E78 A84	F39-V80 WeakPolarHBondContact CE2-O 3.43Å; F39-V80 HydrophobicContact CZ-CB 4.48Å; L58-V80 HydrophobicContact CB-CG1 4.18Å; L58-V80 HydrophobicContact CD2-CG1 3.68Å; V61-V80 HydrophobicContact CG1-CG1 4.25Å; V61-V80 HydrophobicContact CG1-CG2 4.37Å; W62-V80 HydrophobicContact CB-CB 4.04Å; W62-V80 HydrophobicContact CB-CG2 4.15Å; L76-V80 HydrophobicContact CD1-CG1 4.44Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 3.16Å; L77-V80 HydrophobicContact CD2-CG2 4.47Å; L77-V80 WeakPolarHBondContact O-CG2 3Å; L77-V80 PolarHBondContact O-N 3.18Å; E78-V80 PolarHBondContact O-N 3.31Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.02Å; V80-A84 VanDerWaalsContact O-N 3.13Å
81	K	95.3	Very high	93	Very high	160 Å²	160	83.1 Å²	83.1	70%	0.696	45%	0.446	S	S	*	.	H	α-helix	trans	-69.8	-41.5	173.4	-175.3	-177.3	177.1	-172.2	0	111.5	L77 E78 K79 A84 E85	L77-K81 VanDerWaalsContact O-CB 3.23Å; L77-K81 WeakPolarHBondContact O-CB 3.29Å; L77-K81 PolarHBondContact O-N 3.21Å; E78-K81 WeakPolarHBondContact O-CB 3.47Å; E78-K81 PolarHBondContact O-N 3.35Å; E78-K81 VanDerWaalsContact O-N 3.13Å; K79-K81 PolarHBondContact O-N 2.76Å; K81-A84 CarbonylContact O-C 3.58Å; K81-A84 PolarHBondContact O-N 2.88Å; K81-E85 PolarHBondContact O-N 3.19Å
82	E	96.4	Very high	92.1	Very high	128 Å²	128	78.7 Å²	78.7	60%	0.598	44%	0.439	S	S	*	.	H	α-helix	trans	-61.8	-45.7	173.2	-69.3	172.9	173.2	0	0	111.1	E78 K79 A84 E85	E78-E82 WeakPolarHBondContact O-CG 3.36Å; E78-E82 PolarHBondContact O-N 3.03Å; K79-E82 PolarHBondContact O-N 3.07Å; E82-A84 PolarHBondContact O-N 3.42Å; E82-E85 VanDerWaalsContact O-CB 3.32Å; E82-E85 WeakPolarHBondContact O-CB 3.45Å; E82-E85 PolarHBondContact O-N 3.07Å; E82-E85 VanDerWaalsContact O-N 3.09Å
83	M	96.8	Very high	91.3	Very high	24 Å²	24	77.3 Å²	77.3	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-60.9	-25.7	176	-68.7	178.1	69.8	0	0	113.6	F39 N43 F47 L55 L58 K79	F39-M83 HydrophobicContact CE1-CB 4.5Å; F39-M83 HydrophobicContact CE1-CE 3.96Å; F39-M83 HydrophobicContact CE2-CB 3.87Å; F39-M83 HydrophobicContact CZ-CB 3.59Å; F39-M83 HydrophobicContact CZ-CE 3.94Å; F39-M83 HydrophobicContact CZ-SD 4.24Å; N43-M83 HydrophobicContact CB-CE 4.06Å; N43-M83 PolarHBondContact ND2-O 2.84Å; N43-M83 WeakPolarHBondContact OD1-CB 3.41Å; N43-M83 WeakPolarHBondContact OD1-CE 3.3Å; F47-M83 HydrophobicContact CE2-CE 3.68Å; F47-M83 HydrophobicContact CZ-CE 3.68Å; L55-M83 HydrophobicContact CD1-CE 4.01Å; L58-M83 HydrophobicContact CD1-CE 3.98Å; L58-M83 HydrophobicContact CD1-SD 3.87Å; K79-M83 HydrophobicContact CG-SD 4.21Å; K79-M83 WeakPolarHBondContact O-CG 3.44Å; K79-M83 PolarHBondContact O-N 3.47Å
84	A	96.1	Very high	90.1	Very high	8 Å²	8	79.5 Å²	79.5	7%	0.066	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.7	179	0	0	0	0	0	114.1	F39 W62 V80 K81 E82 G86 I87	F39-A84 HydrophobicContact CD2-CB 3.77Å; F39-A84 HydrophobicContact CE2-CB 3.79Å; W62-A84 HydrophobicContact CD2-CB 4.13Å; W62-A84 VanDerWaalsContact CE2-CB 3.41Å; W62-A84 HydrophobicContact CG-CB 4.28Å; W62-A84 HydrophobicContact CZ2-CB 3.79Å; V80-A84 WeakPolarHBondContact O-CB 3.47Å; V80-A84 PolarHBondContact O-N 3.02Å; V80-A84 VanDerWaalsContact O-N 3.13Å; K81-A84 CarbonylContact O-C 3.58Å; K81-A84 PolarHBondContact O-N 2.88Å; E82-A84 PolarHBondContact O-N 3.42Å; A84-G86 PolarHBondContact O-N 3.11Å; A84-I87 HydrophobicContact CB-CD1 4.11Å; A84-I87 WeakPolarHBondContact O-CB 3.47Å; A84-I87 WeakPolarHBondContact O-CG1 3.33Å; A84-I87 PolarHBondContact O-N 3.31Å
85	E	94.3	Very high	89.1	Confident	140 Å²	140	79.5 Å²	79.5	65%	0.654	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133	-177	-176.5	173.9	-161.2	0	0	110.7	R42 K81 E82 I87	R42-E85 PolarHBondContact NE-O 3.02Å; R42-E85 PolarHBondContact NH1-O 3.05Å; R42-E85 PolarHBondContact NH2-O 3.3Å; K81-E85 PolarHBondContact O-N 3.19Å; E82-E85 VanDerWaalsContact O-CB 3.32Å; E82-E85 WeakPolarHBondContact O-CB 3.45Å; E82-E85 PolarHBondContact O-N 3.07Å; E82-E85 VanDerWaalsContact O-N 3.09Å; E85-I87 VanDerWaalsContact C-N 3.25Å; E85-I87 PolarHBondContact O-N 2.84Å
86	G	90.6	Very high	87.9	Confident	64 Å²	64	82.4 Å²	82.4	66%	0.66	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-2.7	-179.7	0	0	0	0	0	116	A84 V88	A84-G86 PolarHBondContact O-N 3.11Å; G86-V88 PolarHBondContact O-N 3.48Å
87	I	92.8	Very high	86.4	Confident	24 Å²	24	82.4 Å²	82.4	12%	0.123	44%	0.437	C	S	.	.			trans	-77.7	119.9	166	-55.2	177.7	0	0	0	108.2	E38 F39 W62 A84 E85	E38-I87 HydrophobicContact CB-CG2 4.25Å; E38-I87 HydrophobicContact CG-CD1 4.33Å; E38-I87 HydrophobicContact CG-CG1 4.05Å; E38-I87 HydrophobicContact CG-CG2 4.06Å; F39-I87 VanDerWaalsContact CA-CD1 3.43Å; F39-I87 HydrophobicContact CB-CD1 3.78Å; F39-I87 HydrophobicContact CD2-CD1 4.05Å; F39-I87 HydrophobicContact CG-CD1 4.3Å; W62-I87 HydrophobicContact CH2-CB 4.41Å; W62-I87 HydrophobicContact CH2-CD1 4.46Å; W62-I87 HydrophobicContact CH2-CG2 3.77Å; W62-I87 HydrophobicContact CZ2-CB 4.44Å; W62-I87 HydrophobicContact CZ2-CG2 4.25Å; A84-I87 HydrophobicContact CB-CD1 4.11Å; A84-I87 WeakPolarHBondContact O-CB 3.47Å; A84-I87 WeakPolarHBondContact O-CG1 3.33Å; A84-I87 PolarHBondContact O-N 3.31Å; E85-I87 VanDerWaalsContact C-N 3.25Å; E85-I87 PolarHBondContact O-N 2.84Å
88	V	88	Confident	84.9	Confident	124 Å²	124	89.7 Å²	89.7	75%	0.752	46%	0.462	S	S	*	.			trans	-93.9	122	178.5	-177.7	0	0	0	0	108.9	G86	G86-V88 PolarHBondContact O-N 3.48Å
89	V	86.9	Confident	83.2	Confident	35 Å²	35	89 Å²	89	21%	0.212	46%	0.462	C	S	.	.			trans	-109.1	108.8	173	-178.9	0	0	0	0	108.4	A35 W62 V66 F67 A92	A35-V89 HydrophobicContact CB-CG2 3.96Å; W62-V89 HydrophobicContact CH2-CG2 3.76Å; W62-V89 HydrophobicContact CZ2-CG2 4.06Å; V66-V89 HydrophobicContact CG1-CG1 4.18Å; V66-V89 HydrophobicContact CG1-CG2 4.36Å; F67-V89 HydrophobicContact CE1-CG1 3.5Å; F67-V89 HydrophobicContact CZ-CG1 3.46Å; F67-V89 VanDerWaalsContact CZ-CG1 3.46Å; F67-V89 HydrophobicContact CZ-CG2 4.36Å; V89-A92 HydrophobicContact CB-CB 4.39Å; V89-A92 HydrophobicContact CG1-CB 3.99Å
90	E	80.7	Confident	81.8	Confident	161 Å²	161	89.6 Å²	89.6	75%	0.752	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	141.2	175.2	-61.6	-170.3	165.3	0	0	110.9	A92	E90-A92 PolarHBondContact O-N 2.88Å
91	D	75.5	Confident	80.6	Confident	135 Å²	135	93 Å²	93	72%	0.722	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	35.6	179	-57	-38.9	0	0	0	114.8	K31	K31-D91 IonicContact NZ-OD2 3.67Å
92	A	71.9	Confident	79.3	Confident	45 Å²	45	88.5 Å²	88.5	37%	0.372	47%	0.467	S	S	.	.			trans	-56.6	128.1	177.5	0	0	0	0	0	110.7	V66 V89 E90 V94	V66-A92 HydrophobicContact CG1-CB 4.41Å; V89-A92 HydrophobicContact CB-CB 4.39Å; V89-A92 HydrophobicContact CG1-CB 3.99Å; E90-A92 PolarHBondContact O-N 2.88Å; A92-V94 PolarHBondContact O-N 2.7Å
93	P	77.7	Confident	77.8	Confident	55 Å²	55	89.8 Å²	89.8	36%	0.357	47%	0.471	S	S	.	.			trans	-63.5	134	-178.3	20.2	-28	0	0	0	111.5	F95	P93-F95 HydrophobicContact CB-CE1 4.34Å; P93-F95 HydrophobicContact CB-CE2 3.85Å; P93-F95 HydrophobicContact CB-CZ 3.67Å; P93-F95 HydrophobicContact CG-CE2 3.59Å; P93-F95 HydrophobicContact CG-CZ 3.58Å; P93-F95 WeakPolarHBondContact O-CD2 3.32Å; P93-F95 PolarHBondContact O-N 3.01Å
94	V	72.7	Confident	76.2	Confident	120 Å²	120	92 Å²	92	73%	0.727	49%	0.488	S	S	*	.			trans	-90.1	102.9	178.7	-178.6	0	0	0	0	109.5	A92 K96	A92-V94 PolarHBondContact O-N 2.7Å; V94-K96 HydrophobicContact CG1-CG 4.02Å; V94-K96 PolarHBondContact O-N 3.37Å
95	F	74.2	Confident	74.5	Confident	81 Å²	81	97.4 Å²	97.4	36%	0.355	51%	0.512	S	S	.	.			trans	-88.1	96.8	176.4	-59.7	-74.1	0	0	0	111.3	V66 F67 M68 G69 P93	V66-F95 WeakPolarHBondContact O-CE2 3.26Å; F67-F95 VanDerWaalsContact O-CZ 3.3Å; F67-F95 WeakPolarHBondContact O-CZ 3.23Å; M68-F95 VanDerWaalsContact C-CZ 3.44Å; G69-F95 VanDerWaalsContact CA-CD2 3.42Å; P93-F95 HydrophobicContact CB-CE1 4.34Å; P93-F95 HydrophobicContact CB-CE2 3.85Å; P93-F95 HydrophobicContact CB-CZ 3.67Å; P93-F95 HydrophobicContact CG-CE2 3.59Å; P93-F95 HydrophobicContact CG-CZ 3.58Å; P93-F95 WeakPolarHBondContact O-CD2 3.32Å; P93-F95 PolarHBondContact O-N 3.01Å
96	K	70.9	Confident	72.6	Confident	131 Å²	131	96.8 Å²	96.8	57%	0.57	51%	0.509	S	S	*	.			trans	-88.2	132.8	171.4	-60.5	-171.5	-179.4	178.7	0	110.7	V94 E100 I101	V94-K96 HydrophobicContact CG1-CG 4.02Å; V94-K96 PolarHBondContact O-N 3.37Å; K96-E100 WeakPolarHBondContact CA-OE2 3.39Å; K96-I101 HydrophobicContact CB-CD1 4.19Å; K96-I101 HydrophobicContact CB-CG1 3.85Å; K96-I101 HydrophobicContact CD-CG1 4.41Å
97	T	66.7	Low	71	Confident	50 Å²	50	99.1 Å²	99.1	31%	0.307	51%	0.511	S	S	.	.			trans	-74.5	158	169.6	64.3	0	0	0	0	110.6	D99 E100 I101	T97-D99 PolarHBondContact O-N 2.73Å; T97-E100 WeakPolarHBondContact CG2-OE1 3.38Å; T97-E100 PolarHBondContact N-OE2 3.3Å; T97-E100 PolarHBondContact O-N 3.5Å; T97-E100 VanDerWaalsContact OG1-CG 3.24Å; T97-E100 WeakPolarHBondContact OG1-CG 3.24Å; T97-E100 PolarHBondContact OG1-N 3.3Å; T97-E100 PolarHBondContact OG1-OE1 3.38Å; T97-I101 WeakPolarHBondContact O-CG1 3.48Å; T97-I101 PolarHBondContact O-N 3.49Å; T97-I101 VanDerWaalsContact O-N 3.08Å
98	R	64.4	Low	69.1	Low	189 Å²	189	100.9 Å²	100.9	71%	0.713	54%	0.535	S	S	*	.	H	α-helix	trans	-54.4	-40.5	176.1	-166.1	-169.6	80.5	166.5	5.8	111.5	I101 I102	R98-I101 PolarHBondContact O-N 3.12Å; R98-I102 HydrophobicContact CG-CD1 4.01Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.49Å; R98-I102 PolarHBondContact O-N 3.21Å
99	D	61.1	Low	67.4	Low	108 Å²	108	100.5 Å²	100.5	58%	0.578	54%	0.536	S	S	*	.	H	α-helix	trans	-70.9	-35	-177.2	-60.6	-25.4	0	0	0	111.9	T97 I102 K103	T97-D99 PolarHBondContact O-N 2.73Å; D99-I102 PolarHBondContact O-N 3.1Å; D99-K103 WeakPolarHBondContact O-CB 3.39Å; D99-K103 PolarHBondContact O-N 3.02Å
100	E	68.7	Low	65.7	Low	98 Å²	98	106.5 Å²	106.5	46%	0.458	57%	0.566	S	S	.	*	H	α-helix	trans	-65.2	-38.9	171.4	-74.2	154.6	-145.8	0	0	112.2	K96 T97 K103 S104	K96-E100 WeakPolarHBondContact CA-OE2 3.39Å; T97-E100 WeakPolarHBondContact CG2-OE1 3.38Å; T97-E100 PolarHBondContact N-OE2 3.3Å; T97-E100 PolarHBondContact O-N 3.5Å; T97-E100 VanDerWaalsContact OG1-CG 3.24Å; T97-E100 WeakPolarHBondContact OG1-CG 3.24Å; T97-E100 PolarHBondContact OG1-N 3.3Å; T97-E100 PolarHBondContact OG1-OE1 3.38Å; E100-K103 PolarHBondContact O-N 3.22Å; E100-S104 PolarHBondContact O-N 2.96Å; E100-S104 PolarHBondContact O-OG 3.45Å
101	I	71.6	Confident	63.9	Low	72 Å²	72	105.4 Å²	105.4	37%	0.369	60%	0.598	S	S	.	*	H	α-helix	trans	-63.4	-47.9	175.9	-64.4	167.3	0	0	0	109.7	K96 T97 R98 K103 S104 Q105	K96-I101 HydrophobicContact CB-CD1 4.19Å; K96-I101 HydrophobicContact CB-CG1 3.85Å; K96-I101 HydrophobicContact CD-CG1 4.41Å; T97-I101 WeakPolarHBondContact O-CG1 3.48Å; T97-I101 PolarHBondContact O-N 3.49Å; T97-I101 VanDerWaalsContact O-N 3.08Å; R98-I101 PolarHBondContact O-N 3.12Å; I101-K103 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 3.47Å; I101-S104 PolarHBondContact O-N 3.43Å; I101-S104 PolarHBondContact O-OG 3.44Å; I101-Q105 WeakPolarHBondContact O-CG 3.29Å; I101-Q105 PolarHBondContact O-N 3.01Å; I101-Q105 VanDerWaalsContact O-N 3.1Å
102	I	67.5	Low	63.3	Low	67 Å²	67	103.9 Å²	103.9	34%	0.344	59%	0.592	S	S	.	*	H	α-helix	trans	-62.1	-42.1	179.4	-67.5	164.3	0	0	0	111.2	R98 D99 S104 Q105 Q106	R98-I102 HydrophobicContact CG-CD1 4.01Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.49Å; R98-I102 PolarHBondContact O-N 3.21Å; D99-I102 PolarHBondContact O-N 3.1Å; I102-S104 VanDerWaalsContact C-N 3.33Å; I102-S104 PolarHBondContact O-N 3.44Å; I102-Q105 PolarHBondContact O-N 3.45Å; I102-Q106 PolarHBondContact O-N 3.35Å; I102-Q106 VanDerWaalsContact O-N 3.12Å
103	K	65.8	Low	62.8	Low	155 Å²	155	107 Å²	107	67%	0.674	60%	0.603	S	S	*	*	H	α-helix	trans	-64.4	-37.5	177.8	-146.9	175.7	-171	179.6	0	112	D99 E100 I101 Q105 Q106	D99-K103 WeakPolarHBondContact O-CB 3.39Å; D99-K103 PolarHBondContact O-N 3.02Å; E100-K103 PolarHBondContact O-N 3.22Å; I101-K103 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 3.47Å; K103-Q105 VanDerWaalsContact C-N 3.33Å; K103-Q106 PolarHBondContact O-N 3.19Å
104	S	62.7	Low	62	Low	70 Å²	70	109.9 Å²	109.9	49%	0.49	62%	0.617	S	S	.	*	H	α-helix	trans	-68.5	-29.9	175.4	72.2	0	0	0	0	113.5	E100 I101 I102	E100-S104 PolarHBondContact O-N 2.96Å; E100-S104 PolarHBondContact O-OG 3.45Å; I101-S104 PolarHBondContact O-N 3.43Å; I101-S104 PolarHBondContact O-OG 3.44Å; I102-S104 VanDerWaalsContact C-N 3.33Å; I102-S104 PolarHBondContact O-N 3.44Å
105	Q	59.1	Low	61.4	Low	121 Å²	121	109.3 Å²	109.3	57%	0.565	61%	0.61	S	S	*	*	H	α-helix	trans	-75.3	-34.6	176.3	-72.7	176.8	-10.8	0	0	112.7	I101 I102 K103 V107 G108 C109	I101-Q105 WeakPolarHBondContact O-CG 3.29Å; I101-Q105 PolarHBondContact O-N 3.01Å; I101-Q105 VanDerWaalsContact O-N 3.1Å; I102-Q105 PolarHBondContact O-N 3.45Å; K103-Q105 VanDerWaalsContact C-N 3.33Å; Q105-V107 VanDerWaalsContact C-N 3.32Å; Q105-V107 PolarHBondContact O-N 3.24Å; Q105-G108 PolarHBondContact O-N 3.29Å; Q105-C109 PolarHBondContact O-N 3.08Å
106	Q	55.5	Low	60.6	Low	128 Å²	128	111.1 Å²	111.1	60%	0.598	63%	0.626	S	S	*	*	H	α-helix	trans	-65.9	-33	176	-84.1	179.6	-18.8	0	0	113.3	I102 K103	I102-Q106 PolarHBondContact O-N 3.35Å; I102-Q106 VanDerWaalsContact O-N 3.12Å; K103-Q106 PolarHBondContact O-N 3.19Å
107	V	56.1	Low	59.9	Low	113 Å²	113	109.7 Å²	109.7	69%	0.685	63%	0.63	S	S	*	*	H	α-helix	trans	-72.2	-30.9	176.6	-178.6	0	0	0	0	111.5	Q105	Q105-V107 VanDerWaalsContact C-N 3.32Å; Q105-V107 PolarHBondContact O-N 3.24Å
108	G	53.5	Low	59.4	Low	61 Å²	61	114 Å²	114	63%	0.629	65%	0.653	S	S	*	*	H	α-helix	trans	-75.6	-19.7	177.9	0	0	0	0	0	115.3	Q105	Q105-G108 PolarHBondContact O-N 3.29Å
109	C	51.8	Low	59	Low	116 Å²	116	108.2 Å²	108.2	78%	0.784	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	0.5	179.3	-75.1	0	0	0	0	114.3	Q105	Q105-C109 PolarHBondContact O-N 3.08Å
110	L	52.3	Low	58.8	Low	160 Å²	160	108.3 Å²	108.3	84%	0.838	66%	0.655	S	S	*	*			trans	-103.4	11.6	178.2	-80.4	163.8	0	0	0	113.2
111	G	41.5	Very low	57.9	Low	138 Å²	138	109.2 Å²	109.2	100%	1.423	67%	0.673	S	S	*	*			trans	-107.2	0	176.2	0	0	0	0	0	112.7

Retrieved 111 of 111 residues in 188.5 ms (Link to these results)

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