A0A077ZIV4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.7	Low	84.8	Confident	214 Å²	214	60.5 Å²	60.5	100%	1.054	31%	0.31	S	S	*	.				0	-27.8	0	-83.5	-162.6	-85	0	0	112.7	C3 L4	M1-C3 PolarHBondContact O-N 2.77Å; M1-L4 PolarHBondContact O-N 2.93Å
2	E	78.1	Confident	84.4	Confident	124 Å²	124	60.3 Å²	60.3	58%	0.579	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61.3	-38.2	-173.3	-62.2	179.4	166	0	0	115	L4 A5 Y6 N34	E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.02Å; E2-A5 WeakPolarHBondContact O-CB 3.19Å; E2-A5 PolarHBondContact O-N 3.12Å; E2-A5 VanDerWaalsContact O-N 3.15Å; E2-Y6 VanDerWaalsContact O-CD2 3.26Å; E2-Y6 WeakPolarHBondContact O-CD2 3.47Å; E2-N34 PolarHBondContact OE2-ND2 3.21Å
3	C	85.5	Confident	84.1	Confident	46 Å²	46	73.6 Å²	73.6	31%	0.311	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-60.2	-34.7	-179.6	-53.2	0	0	0	0	113.6	M1 A5 Y6 G7 F8 M32 M37	M1-C3 PolarHBondContact O-N 2.77Å; C3-A5 VanDerWaalsContact C-N 3.28Å; C3-A5 PolarHBondContact O-N 3.18Å; C3-Y6 PolarHBondContact O-N 2.92Å; C3-Y6 VanDerWaalsContact O-N 3.11Å; C3-G7 PolarHBondContact O-N 3.47Å; C3-F8 HydrophobicContact CB-CB 4.06Å; C3-F8 PolarHBondContact O-N 3.19Å; C3-M32 HydrophobicContact CB-SD 4.25Å; C3-M37 HydrophobicContact CB-CE 4.48Å; C3-M37 HydrophobicContact CB-SD 3.88Å
4	L	88.5	Confident	84.1	Confident	19 Å²	19	73.1 Å²	73.1	10%	0.099	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-68	-31.9	-178.7	-176	63.8	0	0	0	111.6	M1 E2 Y6 G7 V9 L21 L53 F56 L57 R60	M1-L4 PolarHBondContact O-N 2.93Å; E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.02Å; L4-Y6 PolarHBondContact O-N 2.99Å; L4-Y6 VanDerWaalsContact O-N 3.11Å; L4-G7 PolarHBondContact O-N 2.86Å; L4-V9 HydrophobicContact CD1-CG1 4.12Å; L4-L21 HydrophobicContact CD1-CD1 4.08Å; L4-L53 HydrophobicContact CD2-CD1 4.39Å; L4-L53 HydrophobicContact CG-CD1 4.34Å; L4-F56 HydrophobicContact CD1-CB 4.14Å; L4-F56 HydrophobicContact CG-CB 4.05Å; L4-F56 VanDerWaalsContact O-CB 3.27Å; L4-F56 WeakPolarHBondContact O-CB 3.33Å; L4-F56 VanDerWaalsContact O-CG 3.28Å; L4-F56 WeakPolarHBondContact O-CG 3.34Å; L4-L57 HydrophobicContact CD2-CD2 3.46Å; L4-L57 VanDerWaalsContact CD2-CD2 3.46Å; L4-L57 HydrophobicContact CD2-CG 3.88Å; L4-R60 HydrophobicContact CD1-CB 4.07Å
5	A	89	Confident	84.1	Confident	41 Å²	41	77.9 Å²	77.9	34%	0.339	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63.3	-15	175.4	0	0	0	0	0	112.9	E2 C3 L53 F56	E2-A5 WeakPolarHBondContact O-CB 3.19Å; E2-A5 PolarHBondContact O-N 3.12Å; E2-A5 VanDerWaalsContact O-N 3.15Å; C3-A5 VanDerWaalsContact C-N 3.28Å; C3-A5 PolarHBondContact O-N 3.18Å; A5-L53 HydrophobicContact CB-CD1 4.22Å; A5-F56 WeakPolarHBondContact O-CE2 3.26Å
6	Y	90	Very high	84.1	Confident	55 Å²	55	77.1 Å²	77.1	22%	0.216	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-111.5	13.3	174.7	-53.1	-69.6	0	0	0	113	E2 C3 L4 F8 N34 M37 K38 L41	E2-Y6 VanDerWaalsContact O-CD2 3.26Å; E2-Y6 WeakPolarHBondContact O-CD2 3.47Å; C3-Y6 PolarHBondContact O-N 2.92Å; C3-Y6 VanDerWaalsContact O-N 3.11Å; L4-Y6 PolarHBondContact O-N 2.99Å; L4-Y6 VanDerWaalsContact O-N 3.11Å; Y6-F8 VanDerWaalsContact O-CD2 3.28Å; Y6-F8 WeakPolarHBondContact O-CD2 3.14Å; Y6-F8 WeakPolarHBondContact O-CE2 3.43Å; Y6-N34 HydrophobicContact CE2-CB 4.28Å; Y6-N34 WeakPolarHBondContact CE2-OD1 3.25Å; Y6-M37 HydrophobicContact CD2-CB 3.82Å; Y6-M37 HydrophobicContact CD2-CE 3.84Å; Y6-M37 HydrophobicContact CD2-SD 4.27Å; Y6-M37 HydrophobicContact CE2-CE 4.18Å; Y6-M37 HydrophobicContact CG-CB 3.85Å; Y6-K38 HydrophobicContact CD1-CB 3.97Å; Y6-K38 HydrophobicContact CD1-CG 4.43Å; Y6-K38 HydrophobicContact CE1-CB 3.66Å; Y6-K38 HydrophobicContact CE1-CD 4.28Å; Y6-K38 HydrophobicContact CE1-CG 4.02Å; Y6-L41 HydrophobicContact CD1-CD2 4.29Å
7	G	91.1	Very high	84.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	21	177.8	0	0	0	0	0	115.6	C3 L4 L21	C3-G7 PolarHBondContact O-N 3.47Å; L4-G7 PolarHBondContact O-N 2.86Å; G7-L21 VanDerWaalsContact O-CB 3.3Å; G7-L21 WeakPolarHBondContact O-CB 3.48Å; G7-L21 WeakPolarHBondContact O-CG 3.46Å; G7-L21 PolarHBondContact O-N 3.3Å
8	F	91.8	Very high	84.6	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.8	178.4	-68.5	-95.2	0	0	0	113.3	C3 Y6 P18 M19 C20 F27 M32 M37 Y40	C3-F8 HydrophobicContact CB-CB 4.06Å; C3-F8 PolarHBondContact O-N 3.19Å; Y6-F8 VanDerWaalsContact O-CD2 3.28Å; Y6-F8 WeakPolarHBondContact O-CD2 3.14Å; Y6-F8 WeakPolarHBondContact O-CE2 3.43Å; F8-P18 HydrophobicContact CD1-CB 4.4Å; F8-M19 CarbonylContact C-O 3.5Å; F8-M19 VanDerWaalsContact CA-O 3.31Å; F8-M19 WeakPolarHBondContact CA-O 3.42Å; F8-C20 HydrophobicContact CD1-CB 4.34Å; F8-C20 HydrophobicContact CE1-CB 4.1Å; F8-F27 HydrophobicContact CD1-CD2 4.34Å; F8-F27 AromaticContact CE1-CD2 3.6Å; F8-F27 HydrophobicContact CE1-CD2 3.6Å; F8-F27 AromaticContact CE1-CE2 3.73Å; F8-F27 HydrophobicContact CE1-CE2 3.73Å; F8-F27 HydrophobicContact CE1-CG 4.22Å; F8-F27 HydrophobicContact CE1-CZ 4.44Å; F8-F27 HydrophobicContact CZ-CE2 4.46Å; F8-M32 HydrophobicContact CB-CE 4.26Å; F8-M32 HydrophobicContact CB-SD 4.36Å; F8-M32 HydrophobicContact CD1-CE 3.49Å; F8-M32 VanDerWaalsContact CD1-CE 3.49Å; F8-M32 HydrophobicContact CD2-CE 4.26Å; F8-M32 HydrophobicContact CE1-CE 3.72Å; F8-M32 HydrophobicContact CE2-CE 4.47Å; F8-M32 HydrophobicContact CG-CE 3.76Å; F8-M32 HydrophobicContact CG-SD 4.48Å; F8-M32 HydrophobicContact CZ-CE 4.2Å; F8-M37 HydrophobicContact CD2-CB 4.23Å; F8-M37 HydrophobicContact CD2-CG 4.08Å; F8-M37 HydrophobicContact CD2-SD 4.11Å; F8-M37 HydrophobicContact CE2-CB 3.87Å; F8-M37 HydrophobicContact CE2-CG 3.93Å; F8-M37 HydrophobicContact CG-SD 4.5Å; F8-M37 HydrophobicContact CZ-CG 4.46Å; F8-Y40 HydrophobicContact CE1-CD1 4.29Å; F8-Y40 HydrophobicContact CE2-CD1 4.01Å; F8-Y40 AromaticContact CZ-CD1 3.38Å; F8-Y40 HydrophobicContact CZ-CD1 3.38Å; F8-Y40 AromaticContact CZ-CE1 3.98Å; F8-Y40 HydrophobicContact CZ-CE1 3.98Å; F8-Y40 HydrophobicContact CZ-CG 4.08Å
9	V	89.5	Confident	85	Confident	27 Å²	27	68.5 Å²	68.5	16%	0.164	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	167.7	174.7	-65.2	0	0	0	0	110.4	L4 P18 M19 L21 R60	L4-V9 HydrophobicContact CD1-CG1 4.12Å; V9-P18 CarbonylContact O-C 3.52Å; V9-P18 WeakPolarHBondContact O-CA 3.43Å; V9-M19 PolarHBondContact N-O 3.11Å; V9-M19 PolarHBondContact O-N 2.9Å; V9-L21 HydrophobicContact CB-CD2 4.26Å; V9-L21 HydrophobicContact CB-CG 4.4Å; V9-L21 HydrophobicContact CG1-CD1 3.69Å; V9-L21 HydrophobicContact CG1-CD2 3.68Å; V9-L21 HydrophobicContact CG1-CG 3.66Å; V9-L21 HydrophobicContact CG2-CD2 3.53Å; V9-L21 HydrophobicContact CG2-CG 3.91Å; V9-R60 HydrophobicContact CG1-CB 4.38Å; V9-R60 HydrophobicContact CG1-CG 3.9Å
10	Q	87.8	Confident	85.3	Confident	131 Å²	131	65.2 Å²	65.2	61%	0.612	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.6	169.8	-72.9	173.7	-37.2	0	0	110.4	Q15	Q10-Q15 PolarHBondContact NE2-O 2.96Å
11	S	84.1	Confident	85.5	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.014	32%	0.315	C	S	.	.			trans	-63.7	132	175.9	171.6	0	0	0	0	109.9	R13 D14 Q15 L17 M19 S26	S11-R13 PolarHBondContact O-N 3.4Å; S11-R13 PolarHBondContact OG-N 2.86Å; S11-D14 WeakPolarHBondContact CB-O 3.21Å; S11-D14 CarbonylContact O-C 3.51Å; S11-D14 PolarHBondContact O-N 3.4Å; S11-D14 PolarHBondContact OG-N 3.41Å; S11-Q15 PolarHBondContact O-N 3.05Å; S11-L17 VanDerWaalsContact CB-O 3.28Å; S11-L17 WeakPolarHBondContact CB-O 3.4Å; S11-L17 PolarHBondContact N-O 3.43Å; S11-M19 WeakPolarHBondContact OG-CE 3.4Å; S11-S26 PolarHBondContact OG-OG 2.89Å
12	P	80.2	Confident	87	Confident	59 Å²	59	54.6 Å²	54.6	38%	0.383	27%	0.274	S	S	.	.	S	Bend	trans	-66.4	-19.9	173.4	-21.3	32.5	0	0	0	114.2	F63 T68	P12-F63 HydrophobicContact CG-CE1 4.09Å; P12-F63 HydrophobicContact CG-CZ 4.25Å; P12-T68 HydrophobicContact CB-CG2 3.55Å; P12-T68 HydrophobicContact CG-CG2 3.55Å
13	R	79.6	Confident	87.6	Confident	233 Å²	233	51.3 Å²	51.3	88%	0.879	26%	0.264	S	S	*	.	S	Bend	trans	-82.9	-33.6	178.8	-56.7	-173.8	-160.9	-156.9	4.2	111.9	S11	S11-R13 PolarHBondContact O-N 3.4Å; S11-R13 PolarHBondContact OG-N 2.86Å
14	D	83.9	Confident	87.6	Confident	67 Å²	67	53.1 Å²	53.1	36%	0.358	27%	0.269	S	S	.	.			trans	-147.8	103.4	179	-177.4	-11.6	0	0	0	108.3	S11 S16 L17	S11-D14 WeakPolarHBondContact CB-O 3.21Å; S11-D14 CarbonylContact O-C 3.51Å; S11-D14 PolarHBondContact O-N 3.4Å; S11-D14 PolarHBondContact OG-N 3.41Å; D14-S16 PolarHBondContact O-N 3.34Å; D14-S16 VanDerWaalsContact OD1-CB 3.25Å; D14-S16 WeakPolarHBondContact OD1-CB 3.32Å; D14-S16 PolarHBondContact OD1-N 3.39Å; D14-S16 PolarHBondContact OD1-OG 3.23Å; D14-S16 PolarHBondContact OD2-OG 3.32Å; D14-L17 HydrophobicContact CB-CB 4.48Å; D14-L17 HydrophobicContact CB-CD1 4.23Å; D14-L17 HydrophobicContact CB-CG 4.3Å; D14-L17 PolarHBondContact O-N 3.02Å
15	Q	84.7	Confident	87.6	Confident	145 Å²	145	60 Å²	60	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.2	-176.1	-63.1	-179.2	8.7	0	0	113	Q10 S11	Q10-Q15 PolarHBondContact NE2-O 2.96Å; S11-Q15 PolarHBondContact O-N 3.05Å
16	S	84.7	Confident	87.6	Confident	65 Å²	65	60.4 Å²	60.4	46%	0.455	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-14.9	175.1	79.9	0	0	0	0	113.8	D14 N29	D14-S16 PolarHBondContact O-N 3.34Å; D14-S16 VanDerWaalsContact OD1-CB 3.25Å; D14-S16 WeakPolarHBondContact OD1-CB 3.32Å; D14-S16 PolarHBondContact OD1-N 3.39Å; D14-S16 PolarHBondContact OD1-OG 3.23Å; D14-S16 PolarHBondContact OD2-OG 3.32Å; S16-N29 PolarHBondContact O-ND2 3.04Å; S16-N29 PolarHBondContact O-OD1 3.24Å
17	L	87.9	Confident	87.5	Confident	53 Å²	53	59.4 Å²	59.4	28%	0.277	29%	0.291	S	S	.	.	S	Bend	trans	-107.5	135.7	-178	-63.5	178.9	0	0	0	111.6	S11 D14	S11-L17 VanDerWaalsContact CB-O 3.28Å; S11-L17 WeakPolarHBondContact CB-O 3.4Å; S11-L17 PolarHBondContact N-O 3.43Å; D14-L17 HydrophobicContact CB-CB 4.48Å; D14-L17 HydrophobicContact CB-CD1 4.23Å; D14-L17 HydrophobicContact CB-CG 4.3Å; D14-L17 PolarHBondContact O-N 3.02Å
18	P	89.6	Confident	87.4	Confident	10 Å²	10	62.3 Å²	62.3	7%	0.065	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	149.2	169.2	32.5	-43	0	0	0	112.8	F8 V9 S26 F27 N29 M32	F8-P18 HydrophobicContact CD1-CB 4.4Å; V9-P18 CarbonylContact O-C 3.52Å; V9-P18 WeakPolarHBondContact O-CA 3.43Å; P18-S26 CarbonylContact O-C 3.6Å; P18-S26 VanDerWaalsContact O-CA 3.27Å; P18-S26 WeakPolarHBondContact O-CA 3.35Å; P18-F27 WeakPolarHBondContact CD-O 3.28Å; P18-F27 HydrophobicContact CG-CB 3.96Å; P18-F27 WeakPolarHBondContact CG-O 3.41Å; P18-F27 PolarHBondContact O-N 3.22Å; P18-N29 VanDerWaalsContact CD-OD1 3.3Å; P18-N29 WeakPolarHBondContact CD-OD1 3.18Å; P18-M32 HydrophobicContact CB-CE 3.47Å; P18-M32 VanDerWaalsContact CB-CE 3.47Å; P18-M32 HydrophobicContact CB-CG 3.75Å; P18-M32 HydrophobicContact CB-SD 3.16Å; P18-M32 WeakPolarHBondContact CB-SD 3.31Å; P18-M32 HydrophobicContact CG-CE 3.62Å; P18-M32 HydrophobicContact CG-CG 3.48Å; P18-M32 VanDerWaalsContact CG-CG 3.48Å; P18-M32 HydrophobicContact CG-SD 3.58Å; P18-M32 VanDerWaalsContact CG-SD 3.58Å
19	M	91.2	Very high	86.9	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.7	177.9	175.6	-172.7	-75.4	0	0	110.1	F8 V9 S11 M24 R25	F8-M19 CarbonylContact C-O 3.5Å; F8-M19 VanDerWaalsContact CA-O 3.31Å; F8-M19 WeakPolarHBondContact CA-O 3.42Å; V9-M19 PolarHBondContact N-O 3.11Å; V9-M19 PolarHBondContact O-N 2.9Å; S11-M19 WeakPolarHBondContact OG-CE 3.4Å; M19-M24 HydrophobicContact CE-CE 4.23Å; M19-M24 HydrophobicContact SD-CB 4.43Å; M19-M24 HydrophobicContact SD-CE 3.32Å; M19-M24 WeakPolarHBondContact SD-CE 3.35Å; M19-M24 HydrophobicContact SD-SD 3.95Å; M19-R25 VanDerWaalsContact CA-O 3.28Å; M19-R25 WeakPolarHBondContact CA-O 3.26Å
20	C	91	Very high	86.6	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.007	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.9	170.6	174.5	0	0	0	0	110.4	F8 F22 C23 M24 R25 F27 Y40	F8-C20 HydrophobicContact CD1-CB 4.34Å; F8-C20 HydrophobicContact CE1-CB 4.1Å; C20-F22 PolarHBondContact O-N 3.42Å; C20-F22 PolarHBondContact SG-N 3.15Å; C20-F22 VanDerWaalsContact SG-N 3.39Å; C20-C23 VanDerWaalsContact CB-SG 3.55Å; C20-C23 VanDerWaalsContact SG-SG 3.65Å; C20-M24 VanDerWaalsContact O-CA 3.24Å; C20-M24 WeakPolarHBondContact O-CA 3.39Å; C20-M24 PolarHBondContact O-N 3.37Å; C20-R25 PolarHBondContact N-O 3.33Å; C20-F27 HydrophobicContact CB-CE2 4Å; C20-Y40 HydrophobicContact CB-CE1 4Å
21	L	90.1	Very high	86	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.068	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.1	178.3	-80.5	173.9	0	0	0	113.9	L4 G7 V9 L59 R60 F63	L4-L21 HydrophobicContact CD1-CD1 4.08Å; G7-L21 VanDerWaalsContact O-CB 3.3Å; G7-L21 WeakPolarHBondContact O-CB 3.48Å; G7-L21 WeakPolarHBondContact O-CG 3.46Å; G7-L21 PolarHBondContact O-N 3.3Å; V9-L21 HydrophobicContact CB-CD2 4.26Å; V9-L21 HydrophobicContact CB-CG 4.4Å; V9-L21 HydrophobicContact CG1-CD1 3.69Å; V9-L21 HydrophobicContact CG1-CD2 3.68Å; V9-L21 HydrophobicContact CG1-CG 3.66Å; V9-L21 HydrophobicContact CG2-CD2 3.53Å; V9-L21 HydrophobicContact CG2-CG 3.91Å; L21-L59 HydrophobicContact CB-CD2 4.04Å; L21-L59 HydrophobicContact CD1-CD2 4.22Å; L21-L59 HydrophobicContact CD1-CG 4.29Å; L21-R60 HydrophobicContact CD1-CB 4.2Å; L21-F63 HydrophobicContact CD2-CB 4.07Å; L21-F63 HydrophobicContact CD2-CD1 4.19Å; L21-F63 HydrophobicContact CD2-CD2 4.49Å; L21-F63 HydrophobicContact CD2-CG 3.97Å
22	F	89.2	Confident	85.9	Confident	45 Å²	45	68.9 Å²	68.9	20%	0.197	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-45.5	-175.4	-57	-69.6	0	0	0	112.7	C20 L41 H45 Y48 Y55 F56 L59	C20-F22 PolarHBondContact O-N 3.42Å; C20-F22 PolarHBondContact SG-N 3.15Å; C20-F22 VanDerWaalsContact SG-N 3.39Å; F22-L41 HydrophobicContact CE2-CD1 3.95Å; F22-H45 HydrophobicContact CD2-CB 4.32Å; F22-H45 AromaticContact CD2-CD2 3.85Å; F22-H45 AromaticContact CD2-CG 3.93Å; F22-Y48 AromaticContact CD1-CD2 3.97Å; F22-Y48 HydrophobicContact CD1-CD2 3.97Å; F22-Y48 HydrophobicContact CD1-CE1 4.34Å; F22-Y48 AromaticContact CD1-CE2 3.65Å; F22-Y48 HydrophobicContact CD1-CE2 3.65Å; F22-Y48 HydrophobicContact CD1-CG 4.39Å; F22-Y48 AromaticContact CD1-CZ 3.87Å; F22-Y48 HydrophobicContact CD2-CD2 4.41Å; F22-Y48 AromaticContact CE1-CD1 3.64Å; F22-Y48 HydrophobicContact CE1-CD1 3.64Å; F22-Y48 AromaticContact CE1-CD2 3.68Å; F22-Y48 HydrophobicContact CE1-CD2 3.68Å; F22-Y48 AromaticContact CE1-CE1 3.69Å; F22-Y48 HydrophobicContact CE1-CE1 3.69Å; F22-Y48 AromaticContact CE1-CE2 3.67Å; F22-Y48 HydrophobicContact CE1-CE2 3.67Å; F22-Y48 AromaticContact CE1-CG 3.64Å; F22-Y48 HydrophobicContact CE1-CG 3.64Å; F22-Y48 AromaticContact CE1-CZ 3.68Å; F22-Y48 HydrophobicContact CE2-CD2 4.14Å; F22-Y48 HydrophobicContact CE2-CG 4.15Å; F22-Y48 HydrophobicContact CG-CD2 4.32Å; F22-Y48 HydrophobicContact CG-CE2 4.22Å; F22-Y48 AromaticContact CZ-CD1 3.8Å; F22-Y48 HydrophobicContact CZ-CD1 3.8Å; F22-Y48 AromaticContact CZ-CD2 3.76Å; F22-Y48 HydrophobicContact CZ-CD2 3.76Å; F22-Y48 HydrophobicContact CZ-CE1 4.32Å; F22-Y48 HydrophobicContact CZ-CE2 4.24Å; F22-Y48 AromaticContact CZ-CG 3.48Å; F22-Y48 HydrophobicContact CZ-CG 3.48Å; F22-Y48 VanDerWaalsContact CZ-CG 3.48Å; F22-Y55 HydrophobicContact CE1-CE1 4.32Å; F22-Y55 HydrophobicContact CZ-CE1 4.43Å; F22-F56 AromaticContact CE2-CE1 3.74Å; F22-F56 HydrophobicContact CE2-CE1 3.74Å; F22-F56 HydrophobicContact CZ-CD1 4.14Å; F22-F56 AromaticContact CZ-CE1 3.5Å; F22-F56 HydrophobicContact CZ-CE1 3.5Å; F22-F56 HydrophobicContact CZ-CZ 4.43Å; F22-L59 HydrophobicContact CD1-CD2 3.98Å; F22-L59 HydrophobicContact CE1-CD2 3.42Å; F22-L59 VanDerWaalsContact CE1-CD2 3.42Å; F22-L59 HydrophobicContact CZ-CD2 3.91Å
23	C	89.3	Confident	86.1	Confident	54 Å²	54	71.1 Å²	71.1	37%	0.365	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-2.6	-174.8	71.6	0	0	0	0	114.1	C20 R25 Y40	C20-C23 VanDerWaalsContact CB-SG 3.55Å; C20-C23 VanDerWaalsContact SG-SG 3.65Å; C23-R25 PolarHBondContact O-N 3.11Å; C23-R25 VanDerWaalsContact SG-CB 3.57Å; C23-Y40 PolarHBondContact SG-OH 3.26Å
24	M	86.6	Confident	86.3	Confident	84 Å²	84	62.7 Å²	62.7	41%	0.414	33%	0.325	S	S	.	.			trans	61.8	13.2	178.5	-56.5	-58.3	-67.7	0	0	115.1	M19 C20 F63	M19-M24 HydrophobicContact CE-CE 4.23Å; M19-M24 HydrophobicContact SD-CB 4.43Å; M19-M24 HydrophobicContact SD-CE 3.32Å; M19-M24 WeakPolarHBondContact SD-CE 3.35Å; M19-M24 HydrophobicContact SD-SD 3.95Å; C20-M24 VanDerWaalsContact O-CA 3.24Å; C20-M24 WeakPolarHBondContact O-CA 3.39Å; C20-M24 PolarHBondContact O-N 3.37Å; M24-F63 HydrophobicContact CE-CD2 4.43Å; M24-F63 HydrophobicContact CE-CE1 4.5Å; M24-F63 HydrophobicContact CE-CE2 3.23Å; M24-F63 HydrophobicContact CE-CZ 3.29Å; M24-F63 HydrophobicContact SD-CD2 4.29Å; M24-F63 HydrophobicContact SD-CE2 3.54Å; M24-F63 VanDerWaalsContact SD-CE2 3.54Å; M24-F63 HydrophobicContact SD-CZ 4.1Å
25	R	88.5	Confident	86.5	Confident	163 Å²	163	63.8 Å²	63.8	62%	0.615	34%	0.337	S	S	*	.			trans	-75.4	131.7	176.9	-169.8	171.6	-175.6	171.1	1.7	110.1	M19 C20 C23 F27	M19-R25 VanDerWaalsContact CA-O 3.28Å; M19-R25 WeakPolarHBondContact CA-O 3.26Å; C20-R25 PolarHBondContact N-O 3.33Å; C23-R25 PolarHBondContact O-N 3.11Å; C23-R25 VanDerWaalsContact SG-CB 3.57Å; R25-F27 HydrophobicContact CB-CE2 3.78Å; R25-F27 HydrophobicContact CB-CZ 4.06Å; R25-F27 HydrophobicContact CG-CE2 3.97Å; R25-F27 HydrophobicContact CG-CZ 3.96Å; R25-F27 WeakPolarHBondContact O-CD2 3.26Å; R25-F27 WeakPolarHBondContact O-CE2 3.48Å
26	S	88.8	Confident	86.7	Confident	50 Å²	50	61.4 Å²	61.4	35%	0.35	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-87.2	146.9	172.3	-57.6	0	0	0	0	110.6	S11 P18	S11-S26 PolarHBondContact OG-OG 2.89Å; P18-S26 CarbonylContact O-C 3.6Å; P18-S26 VanDerWaalsContact O-CA 3.27Å; P18-S26 WeakPolarHBondContact O-CA 3.35Å
27	F	88.9	Confident	87	Confident	35 Å²	35	58.3 Å²	58.3	15%	0.154	30%	0.303	C	S	.	.			trans	-129	158.7	-175.3	-67.4	-95.2	0	0	0	109.8	F8 P18 C20 R25 S31 Y40	F8-F27 HydrophobicContact CD1-CD2 4.34Å; F8-F27 AromaticContact CE1-CD2 3.6Å; F8-F27 HydrophobicContact CE1-CD2 3.6Å; F8-F27 AromaticContact CE1-CE2 3.73Å; F8-F27 HydrophobicContact CE1-CE2 3.73Å; F8-F27 HydrophobicContact CE1-CG 4.22Å; F8-F27 HydrophobicContact CE1-CZ 4.44Å; F8-F27 HydrophobicContact CZ-CE2 4.46Å; P18-F27 WeakPolarHBondContact CD-O 3.28Å; P18-F27 HydrophobicContact CG-CB 3.96Å; P18-F27 WeakPolarHBondContact CG-O 3.41Å; P18-F27 PolarHBondContact O-N 3.22Å; C20-F27 HydrophobicContact CB-CE2 4Å; R25-F27 HydrophobicContact CB-CE2 3.78Å; R25-F27 HydrophobicContact CB-CZ 4.06Å; R25-F27 HydrophobicContact CG-CE2 3.97Å; R25-F27 HydrophobicContact CG-CZ 3.96Å; R25-F27 WeakPolarHBondContact O-CD2 3.26Å; R25-F27 WeakPolarHBondContact O-CE2 3.48Å; F27-S31 WeakPolarHBondContact CB-OG 3.36Å; F27-Y40 HydrophobicContact CE1-CD2 4.09Å; F27-Y40 AromaticContact CE1-CE2 3.92Å; F27-Y40 HydrophobicContact CE1-CE2 3.92Å; F27-Y40 HydrophobicContact CE2-CE1 4.24Å; F27-Y40 HydrophobicContact CZ-CD1 4.34Å; F27-Y40 HydrophobicContact CZ-CD2 4.04Å; F27-Y40 AromaticContact CZ-CE1 3.82Å; F27-Y40 HydrophobicContact CZ-CE1 3.82Å; F27-Y40 AromaticContact CZ-CE2 3.53Å; F27-Y40 HydrophobicContact CZ-CE2 3.53Å; F27-Y40 HydrophobicContact CZ-CG 4.42Å; F27-Y40 AromaticContact CZ-CZ 3.4Å; F27-Y40 VanDerWaalsContact CZ-CZ 3.4Å
28	S	87.5	Confident	87.1	Confident	61 Å²	61	60.5 Å²	60.5	43%	0.427	31%	0.31	S	S	.	.			trans	-71.6	157.3	171.4	66	0	0	0	0	110.5	E30 S31	S28-E30 PolarHBondContact O-N 3.28Å; S28-S31 PolarHBondContact N-OG 2.63Å; S28-S31 WeakPolarHBondContact O-CB 3.3Å; S28-S31 PolarHBondContact O-N 2.72Å; S28-S31 PolarHBondContact O-OG 3.24Å; S28-S31 PolarHBondContact OG-OG 3.43Å
29	N	82.8	Confident	87.2	Confident	95 Å²	95	67.5 Å²	67.5	51%	0.508	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28.4	177.2	-74.6	-34.7	0	0	0	113.3	S16 P18 S31 M32	S16-N29 PolarHBondContact O-ND2 3.04Å; S16-N29 PolarHBondContact O-OD1 3.24Å; P18-N29 VanDerWaalsContact CD-OD1 3.3Å; P18-N29 WeakPolarHBondContact CD-OD1 3.18Å; N29-S31 PolarHBondContact O-N 3.3Å; N29-M32 VanDerWaalsContact O-CB 3.26Å; N29-M32 WeakPolarHBondContact O-CB 3.5Å; N29-M32 PolarHBondContact O-N 3.38Å
30	E	81.6	Confident	87.2	Confident	145 Å²	145	69.3 Å²	69.3	68%	0.678	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.5	174.2	-63.4	-177.6	178.1	0	0	114	S28 M32 K36	S28-E30 PolarHBondContact O-N 3.28Å; E30-M32 PolarHBondContact O-N 3.15Å; E30-K36 WeakPolarHBondContact O-CD 3.22Å; E30-K36 PolarHBondContact O-NZ 3.41Å
31	S	76.6	Confident	87.3	Confident	25 Å²	25	69.5 Å²	69.5	18%	0.175	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-74.6	-13.9	175	-30	0	0	0	0	112.3	F27 S28 N29 M33 K36 M37	F27-S31 WeakPolarHBondContact CB-OG 3.36Å; S28-S31 PolarHBondContact N-OG 2.63Å; S28-S31 WeakPolarHBondContact O-CB 3.3Å; S28-S31 PolarHBondContact O-N 2.72Å; S28-S31 PolarHBondContact O-OG 3.24Å; S28-S31 PolarHBondContact OG-OG 3.43Å; N29-S31 PolarHBondContact O-N 3.3Å; S31-M33 PolarHBondContact O-N 2.89Å; S31-K36 WeakPolarHBondContact O-CB 3.28Å; S31-M37 WeakPolarHBondContact O-CG 3.2Å
32	M	81.4	Confident	87.4	Confident	38 Å²	38	72.6 Å²	72.6	19%	0.187	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-84.1	13.5	-175.6	-64.9	-70.8	98.6	0	0	114.2	C3 F8 P18 N29 E30 M37	C3-M32 HydrophobicContact CB-SD 4.25Å; F8-M32 HydrophobicContact CB-CE 4.26Å; F8-M32 HydrophobicContact CB-SD 4.36Å; F8-M32 HydrophobicContact CD1-CE 3.49Å; F8-M32 VanDerWaalsContact CD1-CE 3.49Å; F8-M32 HydrophobicContact CD2-CE 4.26Å; F8-M32 HydrophobicContact CE1-CE 3.72Å; F8-M32 HydrophobicContact CE2-CE 4.47Å; F8-M32 HydrophobicContact CG-CE 3.76Å; F8-M32 HydrophobicContact CG-SD 4.48Å; F8-M32 HydrophobicContact CZ-CE 4.2Å; P18-M32 HydrophobicContact CB-CE 3.47Å; P18-M32 VanDerWaalsContact CB-CE 3.47Å; P18-M32 HydrophobicContact CB-CG 3.75Å; P18-M32 HydrophobicContact CB-SD 3.16Å; P18-M32 WeakPolarHBondContact CB-SD 3.31Å; P18-M32 HydrophobicContact CG-CE 3.62Å; P18-M32 HydrophobicContact CG-CG 3.48Å; P18-M32 VanDerWaalsContact CG-CG 3.48Å; P18-M32 HydrophobicContact CG-SD 3.58Å; P18-M32 VanDerWaalsContact CG-SD 3.58Å; N29-M32 VanDerWaalsContact O-CB 3.26Å; N29-M32 WeakPolarHBondContact O-CB 3.5Å; N29-M32 PolarHBondContact O-N 3.38Å; E30-M32 PolarHBondContact O-N 3.15Å; M32-M37 HydrophobicContact CB-SD 4.37Å; M32-M37 HydrophobicContact CE-CG 3.61Å; M32-M37 HydrophobicContact CE-SD 3.56Å; M32-M37 VanDerWaalsContact CE-SD 3.56Å; M32-M37 WeakPolarHBondContact O-CE 3.49Å; M32-M37 HydrophobicContact SD-CG 4.34Å; M32-M37 HydrophobicContact SD-SD 3.52Å
33	M	84.2	Confident	87.6	Confident	107 Å²	107	74.7 Å²	74.7	53%	0.527	38%	0.384	S	S	.	.	S	Bend	trans	-70.8	133.8	165.5	-63	179.1	80.4	0	0	109.2	S31 C35 K36 M37	S31-M33 PolarHBondContact O-N 2.89Å; M33-C35 PolarHBondContact O-N 2.91Å; M33-C35 VanDerWaalsContact O-N 3.12Å; M33-K36 HydrophobicContact CB-CD 4.38Å; M33-K36 HydrophobicContact CB-CG 4.32Å; M33-K36 WeakPolarHBondContact O-CA 3.43Å; M33-K36 WeakPolarHBondContact O-CB 3.48Å; M33-K36 PolarHBondContact O-N 2.95Å; M33-M37 PolarHBondContact O-N 2.89Å
34	N	84.4	Confident	87.8	Confident	56 Å²	56	74.1 Å²	74.1	30%	0.299	38%	0.383	S	S	.	.	H	α-helix	trans	-49.7	-42.8	-176.6	-75.6	-36.6	0	0	0	113.6	E2 Y6 K36 M37 K38	E2-N34 PolarHBondContact OE2-ND2 3.21Å; Y6-N34 HydrophobicContact CE2-CB 4.28Å; Y6-N34 WeakPolarHBondContact CE2-OD1 3.25Å; N34-K36 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 3.09Å; N34-M37 PolarHBondContact O-N 2.86Å; N34-M37 WeakPolarHBondContact OD1-CE 3.16Å; N34-K38 WeakPolarHBondContact O-CB 3.45Å; N34-K38 PolarHBondContact O-N 2.98Å
35	C	87.1	Confident	88.1	Confident	90 Å²	90	71.2 Å²	71.2	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-61.7	-37.9	176.8	49.9	0	0	0	0	113.2	M33 K39	M33-C35 PolarHBondContact O-N 2.91Å; M33-C35 VanDerWaalsContact O-N 3.12Å; C35-K39 WeakPolarHBondContact O-CB 3.43Å; C35-K39 PolarHBondContact O-N 3.1Å
36	K	90.3	Very high	88.3	Confident	94 Å²	94	67 Å²	67	41%	0.409	36%	0.362	S	S	.	.	H	α-helix	trans	-74.2	-41.9	177.6	-66.8	-177	-174.6	173.8	0	111.6	E30 S31 M33 N34 K39 Y40	E30-K36 WeakPolarHBondContact O-CD 3.22Å; E30-K36 PolarHBondContact O-NZ 3.41Å; S31-K36 WeakPolarHBondContact O-CB 3.28Å; M33-K36 HydrophobicContact CB-CD 4.38Å; M33-K36 HydrophobicContact CB-CG 4.32Å; M33-K36 WeakPolarHBondContact O-CA 3.43Å; M33-K36 WeakPolarHBondContact O-CB 3.48Å; M33-K36 PolarHBondContact O-N 2.95Å; N34-K36 VanDerWaalsContact C-N 3.34Å; N34-K36 PolarHBondContact O-N 3.09Å; K36-K39 PolarHBondContact O-N 3.01Å; K36-Y40 WeakPolarHBondContact O-CB 3.44Å; K36-Y40 PolarHBondContact O-N 3.31Å
37	M	90	Very high	88.5	Confident	1 Å²	1	70 Å²	70	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-46.7	176.7	-67.9	-173.7	-69.5	0	0	111.5	C3 Y6 F8 S31 M32 M33 N34 Y40 L41	C3-M37 HydrophobicContact CB-CE 4.48Å; C3-M37 HydrophobicContact CB-SD 3.88Å; Y6-M37 HydrophobicContact CD2-CB 3.82Å; Y6-M37 HydrophobicContact CD2-CE 3.84Å; Y6-M37 HydrophobicContact CD2-SD 4.27Å; Y6-M37 HydrophobicContact CE2-CE 4.18Å; Y6-M37 HydrophobicContact CG-CB 3.85Å; F8-M37 HydrophobicContact CD2-CB 4.23Å; F8-M37 HydrophobicContact CD2-CG 4.08Å; F8-M37 HydrophobicContact CD2-SD 4.11Å; F8-M37 HydrophobicContact CE2-CB 3.87Å; F8-M37 HydrophobicContact CE2-CG 3.93Å; F8-M37 HydrophobicContact CG-SD 4.5Å; F8-M37 HydrophobicContact CZ-CG 4.46Å; S31-M37 WeakPolarHBondContact O-CG 3.2Å; M32-M37 HydrophobicContact CB-SD 4.37Å; M32-M37 HydrophobicContact CE-CG 3.61Å; M32-M37 HydrophobicContact CE-SD 3.56Å; M32-M37 VanDerWaalsContact CE-SD 3.56Å; M32-M37 WeakPolarHBondContact O-CE 3.49Å; M32-M37 HydrophobicContact SD-CG 4.34Å; M32-M37 HydrophobicContact SD-SD 3.52Å; M33-M37 PolarHBondContact O-N 2.89Å; N34-M37 PolarHBondContact O-N 2.86Å; N34-M37 WeakPolarHBondContact OD1-CE 3.16Å; M37-Y40 WeakPolarHBondContact O-CB 3.28Å; M37-Y40 PolarHBondContact O-N 2.73Å; M37-L41 PolarHBondContact O-N 3.07Å
38	K	89.6	Confident	88.5	Confident	99 Å²	99	71 Å²	71	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-45.8	175.5	-172.8	171.7	-177.4	173	0	111.7	Y6 N34 Y40 L41 L42	Y6-K38 HydrophobicContact CD1-CB 3.97Å; Y6-K38 HydrophobicContact CD1-CG 4.43Å; Y6-K38 HydrophobicContact CE1-CB 3.66Å; Y6-K38 HydrophobicContact CE1-CD 4.28Å; Y6-K38 HydrophobicContact CE1-CG 4.02Å; N34-K38 WeakPolarHBondContact O-CB 3.45Å; N34-K38 PolarHBondContact O-N 2.98Å; K38-Y40 VanDerWaalsContact C-N 3.28Å; K38-Y40 PolarHBondContact O-N 3.01Å; K38-L41 PolarHBondContact O-N 2.94Å; K38-L42 HydrophobicContact CG-CD1 4.03Å; K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.37Å
39	K	92	Very high	88.4	Confident	157 Å²	157	71 Å²	71	68%	0.683	37%	0.369	S	S	*	.	H	α-helix	trans	-59.2	-41.3	175.7	-174.9	178.6	-179.2	179.5	0	111.6	C35 K36 S43	C35-K39 WeakPolarHBondContact O-CB 3.43Å; C35-K39 PolarHBondContact O-N 3.1Å; K36-K39 PolarHBondContact O-N 3.01Å; K39-S43 VanDerWaalsContact O-CB 3.31Å; K39-S43 WeakPolarHBondContact O-CB 3.27Å; K39-S43 PolarHBondContact O-N 3.23Å; K39-S43 PolarHBondContact O-OG 3.39Å; K39-S43 VanDerWaalsContact O-OG 3.1Å
40	Y	92.4	Very high	88.7	Confident	43 Å²	43	75.6 Å²	75.6	17%	0.169	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-50.4	177	179.3	-100	0	0	0	111.7	F8 C20 C23 F27 K36 M37 K38 L42 S43 A44 H45	F8-Y40 HydrophobicContact CE1-CD1 4.29Å; F8-Y40 HydrophobicContact CE2-CD1 4.01Å; F8-Y40 AromaticContact CZ-CD1 3.38Å; F8-Y40 HydrophobicContact CZ-CD1 3.38Å; F8-Y40 AromaticContact CZ-CE1 3.98Å; F8-Y40 HydrophobicContact CZ-CE1 3.98Å; F8-Y40 HydrophobicContact CZ-CG 4.08Å; C20-Y40 HydrophobicContact CB-CE1 4Å; C23-Y40 PolarHBondContact SG-OH 3.26Å; F27-Y40 HydrophobicContact CE1-CD2 4.09Å; F27-Y40 AromaticContact CE1-CE2 3.92Å; F27-Y40 HydrophobicContact CE1-CE2 3.92Å; F27-Y40 HydrophobicContact CE2-CE1 4.24Å; F27-Y40 HydrophobicContact CZ-CD1 4.34Å; F27-Y40 HydrophobicContact CZ-CD2 4.04Å; F27-Y40 AromaticContact CZ-CE1 3.82Å; F27-Y40 HydrophobicContact CZ-CE1 3.82Å; F27-Y40 AromaticContact CZ-CE2 3.53Å; F27-Y40 HydrophobicContact CZ-CE2 3.53Å; F27-Y40 HydrophobicContact CZ-CG 4.42Å; F27-Y40 AromaticContact CZ-CZ 3.4Å; F27-Y40 VanDerWaalsContact CZ-CZ 3.4Å; K36-Y40 WeakPolarHBondContact O-CB 3.44Å; K36-Y40 PolarHBondContact O-N 3.31Å; M37-Y40 WeakPolarHBondContact O-CB 3.28Å; M37-Y40 PolarHBondContact O-N 2.73Å; K38-Y40 VanDerWaalsContact C-N 3.28Å; K38-Y40 PolarHBondContact O-N 3.01Å; Y40-L42 VanDerWaalsContact C-N 3.34Å; Y40-L42 PolarHBondContact O-N 2.97Å; Y40-S43 WeakPolarHBondContact CA-OG 3.3Å; Y40-S43 PolarHBondContact O-N 3.44Å; Y40-S43 VanDerWaalsContact O-N 3.09Å; Y40-S43 PolarHBondContact O-OG 2.91Å; Y40-A44 HydrophobicContact CD2-CB 4.26Å; Y40-A44 HydrophobicContact CE1-CB 4.13Å; Y40-A44 HydrophobicContact CE2-CB 3.72Å; Y40-A44 WeakPolarHBondContact O-CB 3.27Å; Y40-A44 PolarHBondContact O-N 2.86Å; Y40-H45 AromaticContact CE1-CD2 3.95Å
41	L	91.6	Very high	89.1	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-52.4	-52.7	176.3	-178.4	69.6	0	0	0	110.6	Y6 F22 M37 K38 S43 H45	Y6-L41 HydrophobicContact CD1-CD2 4.29Å; F22-L41 HydrophobicContact CE2-CD1 3.95Å; M37-L41 PolarHBondContact O-N 3.07Å; K38-L41 PolarHBondContact O-N 2.94Å; L41-S43 VanDerWaalsContact C-N 3.3Å; L41-S43 PolarHBondContact O-N 3.37Å; L41-H45 HydrophobicContact CD1-CB 4Å; L41-H45 CarbonylContact O-C 2.97Å; L41-H45 VanDerWaalsContact O-CA 3.22Å; L41-H45 WeakPolarHBondContact O-CA 3.43Å; L41-H45 WeakPolarHBondContact O-CB 3.44Å; L41-H45 PolarHBondContact O-N 2.81Å
42	L	92.3	Very high	89.8	Confident	77 Å²	77	75.4 Å²	75.4	40%	0.403	39%	0.389	S	S	.	.	H	α-helix	trans	-59.5	-36.8	177.9	-76.5	168.8	0	0	0	113.6	K38 Y40 P46 D49	K38-L42 HydrophobicContact CG-CD1 4.03Å; K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.37Å; Y40-L42 VanDerWaalsContact C-N 3.34Å; Y40-L42 PolarHBondContact O-N 2.97Å; L42-P46 WeakPolarHBondContact O-CB 3.49Å; L42-D49 HydrophobicContact CD2-CB 3.78Å; L42-D49 WeakPolarHBondContact CD2-OD1 3.2Å; L42-D49 WeakPolarHBondContact CD2-OD2 3.32Å
43	S	93.5	Very high	90.2	Very high	90 Å²	90	77.5 Å²	77.5	63%	0.629	40%	0.401	S	S	*	.	H	α-helix	trans	-82.1	-38.5	-176.4	67.4	0	0	0	0	114.2	K39 Y40 L41	K39-S43 VanDerWaalsContact O-CB 3.31Å; K39-S43 WeakPolarHBondContact O-CB 3.27Å; K39-S43 PolarHBondContact O-N 3.23Å; K39-S43 PolarHBondContact O-OG 3.39Å; K39-S43 VanDerWaalsContact O-OG 3.1Å; Y40-S43 WeakPolarHBondContact CA-OG 3.3Å; Y40-S43 PolarHBondContact O-N 3.44Å; Y40-S43 VanDerWaalsContact O-N 3.09Å; Y40-S43 PolarHBondContact O-OG 2.91Å; L41-S43 VanDerWaalsContact C-N 3.3Å; L41-S43 PolarHBondContact O-N 3.37Å
44	A	92.9	Very high	90.5	Very high	42 Å²	42	79.7 Å²	79.7	35%	0.347	41%	0.41	S	S	.	.	H	α-helix	trans	-101.5	-24.3	-171.6	0	0	0	0	0	112.9	Y40	Y40-A44 HydrophobicContact CD2-CB 4.26Å; Y40-A44 HydrophobicContact CE1-CB 4.13Å; Y40-A44 HydrophobicContact CE2-CB 3.72Å; Y40-A44 WeakPolarHBondContact O-CB 3.27Å; Y40-A44 PolarHBondContact O-N 2.86Å
45	H	93.8	Very high	90.9	Very high	22 Å²	22	80.6 Å²	80.6	10%	0.102	41%	0.41	C	S	.	.			trans	-145.7	46.5	-167	-66.8	-46.4	0	0	0	111.1	F22 Y40 L41 E47 Y48	F22-H45 HydrophobicContact CD2-CB 4.32Å; F22-H45 AromaticContact CD2-CD2 3.85Å; F22-H45 AromaticContact CD2-CG 3.93Å; Y40-H45 AromaticContact CE1-CD2 3.95Å; L41-H45 HydrophobicContact CD1-CB 4Å; L41-H45 CarbonylContact O-C 2.97Å; L41-H45 VanDerWaalsContact O-CA 3.22Å; L41-H45 WeakPolarHBondContact O-CA 3.43Å; L41-H45 WeakPolarHBondContact O-CB 3.44Å; L41-H45 PolarHBondContact O-N 2.81Å; H45-E47 VanDerWaalsContact C-OE2 3.25Å; H45-E47 PolarHBondContact O-N 2.91Å; H45-E47 VanDerWaalsContact O-N 3.12Å; H45-Y48 HydrophobicContact CB-CD2 3.91Å; H45-Y48 PolarHBondContact O-N 2.73Å
46	P	92.7	Very high	91.2	Very high	76 Å²	76	76.4 Å²	76.4	49%	0.494	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-56.4	-30.4	-172.8	23.3	-34.5	0	0	0	113.7	L42 Y48 D49	L42-P46 WeakPolarHBondContact O-CB 3.49Å; P46-Y48 PolarHBondContact O-N 3.26Å; P46-Y48 VanDerWaalsContact O-N 3.07Å; P46-D49 PolarHBondContact O-N 2.94Å
47	E	92.1	Very high	91.2	Very high	112 Å²	112	74.8 Å²	74.8	52%	0.523	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-63.6	-10.7	178.4	67.7	-81.6	-169.1	0	0	114.2	H45	H45-E47 VanDerWaalsContact C-OE2 3.25Å; H45-E47 PolarHBondContact O-N 2.91Å; H45-E47 VanDerWaalsContact O-N 3.12Å
48	Y	90.1	Very high	91.2	Very high	57 Å²	57	77.9 Å²	77.9	22%	0.224	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-110.5	0.7	-179.3	-58.3	-72.9	0	0	0	114.5	F22 H45 P46 E50 K51 Y55	F22-Y48 AromaticContact CD1-CD2 3.97Å; F22-Y48 HydrophobicContact CD1-CD2 3.97Å; F22-Y48 HydrophobicContact CD1-CE1 4.34Å; F22-Y48 AromaticContact CD1-CE2 3.65Å; F22-Y48 HydrophobicContact CD1-CE2 3.65Å; F22-Y48 HydrophobicContact CD1-CG 4.39Å; F22-Y48 AromaticContact CD1-CZ 3.87Å; F22-Y48 HydrophobicContact CD2-CD2 4.41Å; F22-Y48 AromaticContact CE1-CD1 3.64Å; F22-Y48 HydrophobicContact CE1-CD1 3.64Å; F22-Y48 AromaticContact CE1-CD2 3.68Å; F22-Y48 HydrophobicContact CE1-CD2 3.68Å; F22-Y48 AromaticContact CE1-CE1 3.69Å; F22-Y48 HydrophobicContact CE1-CE1 3.69Å; F22-Y48 AromaticContact CE1-CE2 3.67Å; F22-Y48 HydrophobicContact CE1-CE2 3.67Å; F22-Y48 AromaticContact CE1-CG 3.64Å; F22-Y48 HydrophobicContact CE1-CG 3.64Å; F22-Y48 AromaticContact CE1-CZ 3.68Å; F22-Y48 HydrophobicContact CE2-CD2 4.14Å; F22-Y48 HydrophobicContact CE2-CG 4.15Å; F22-Y48 HydrophobicContact CG-CD2 4.32Å; F22-Y48 HydrophobicContact CG-CE2 4.22Å; F22-Y48 AromaticContact CZ-CD1 3.8Å; F22-Y48 HydrophobicContact CZ-CD1 3.8Å; F22-Y48 AromaticContact CZ-CD2 3.76Å; F22-Y48 HydrophobicContact CZ-CD2 3.76Å; F22-Y48 HydrophobicContact CZ-CE1 4.32Å; F22-Y48 HydrophobicContact CZ-CE2 4.24Å; F22-Y48 AromaticContact CZ-CG 3.48Å; F22-Y48 HydrophobicContact CZ-CG 3.48Å; F22-Y48 VanDerWaalsContact CZ-CG 3.48Å; H45-Y48 HydrophobicContact CB-CD2 3.91Å; H45-Y48 PolarHBondContact O-N 2.73Å; P46-Y48 PolarHBondContact O-N 3.26Å; P46-Y48 VanDerWaalsContact O-N 3.07Å; Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 3.37Å; Y48-K51 HydrophobicContact CD1-CG 4.12Å; Y48-K51 PolarHBondContact O-N 2.92Å; Y48-Y55 AromaticContact CD1-CE1 3.8Å; Y48-Y55 HydrophobicContact CD1-CE1 3.8Å; Y48-Y55 HydrophobicContact CE1-CE1 4.12Å; Y48-Y55 AromaticContact CE1-CZ 4Å; Y48-Y55 VanDerWaalsContact CE1-OH 3.27Å; Y48-Y55 WeakPolarHBondContact CE1-OH 3.14Å
49	D	85.9	Confident	91.1	Very high	60 Å²	60	74.9 Å²	74.9	32%	0.321	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.8	-176.2	-172.4	56.5	0	0	0	113.2	L42 P46	L42-D49 HydrophobicContact CD2-CB 3.78Å; L42-D49 WeakPolarHBondContact CD2-OD1 3.2Å; L42-D49 WeakPolarHBondContact CD2-OD2 3.32Å; P46-D49 PolarHBondContact O-N 2.94Å
50	E	87.3	Confident	91	Very high	191 Å²	191	70.4 Å²	70.4	89%	0.893	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	7.9	-178.4	-61.4	-170.8	167.3	0	0	114	Y48	Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 3.37Å
51	K	91.2	Very high	90.7	Very high	101 Å²	101	71.4 Å²	71.4	44%	0.439	37%	0.374	S	S	.	.			trans	-75.4	143.8	-179.1	-62.6	-61.8	-179.8	-166.7	0	111.4	Y48 Y55 F56	Y48-K51 HydrophobicContact CD1-CG 4.12Å; Y48-K51 PolarHBondContact O-N 2.92Å; K51-Y55 HydrophobicContact CB-CD1 3.61Å; K51-Y55 HydrophobicContact CB-CE1 4.35Å; K51-Y55 HydrophobicContact CB-CG 3.94Å; K51-Y55 HydrophobicContact CD-CD1 4.36Å; K51-Y55 HydrophobicContact CD-CD2 4.44Å; K51-Y55 HydrophobicContact CD-CG 4.28Å; K51-Y55 HydrophobicContact CG-CD1 3.82Å; K51-Y55 HydrophobicContact CG-CE1 4.09Å; K51-Y55 HydrophobicContact CG-CG 4.19Å; K51-F56 HydrophobicContact CB-CE2 3.95Å; K51-F56 HydrophobicContact CB-CZ 4.23Å
52	S	91	Very high	90.4	Very high	65 Å²	65	73.3 Å²	73.3	46%	0.455	39%	0.388	S	S	.	.			trans	-69.9	158.9	178.5	67.1	0	0	0	0	112	E54 Y55 F56	S52-E54 PolarHBondContact O-N 2.81Å; S52-Y55 VanDerWaalsContact O-CB 3.28Å; S52-Y55 WeakPolarHBondContact O-CB 3.28Å; S52-Y55 PolarHBondContact O-N 3.05Å; S52-Y55 PolarHBondContact OG-N 2.8Å; S52-F56 VanDerWaalsContact O-CD2 3.26Å; S52-F56 WeakPolarHBondContact O-CD2 3.28Å; S52-F56 PolarHBondContact O-N 3.39Å
53	L	89.9	Confident	90	Very high	82 Å²	82	71.9 Å²	71.9	43%	0.429	38%	0.378	S	S	.	.	H	α-helix	trans	-57.6	-33.4	171.4	-178.6	61.7	0	0	0	112.1	L4 A5 Y55 F56 L57	L4-L53 HydrophobicContact CD2-CD1 4.39Å; L4-L53 HydrophobicContact CG-CD1 4.34Å; A5-L53 HydrophobicContact CB-CD1 4.22Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 PolarHBondContact O-N 3.01Å; L53-F56 PolarHBondContact O-N 2.91Å; L53-L57 HydrophobicContact CG-CD1 4.15Å; L53-L57 HydrophobicContact CG-CG 4.46Å; L53-L57 WeakPolarHBondContact O-CG 3.24Å; L53-L57 PolarHBondContact O-N 3.31Å
54	E	91.4	Very high	89.2	Confident	154 Å²	154	75.5 Å²	75.5	72%	0.72	38%	0.378	S	S	*	.	H	α-helix	trans	-60.4	-39	174.8	-67.7	-178.6	168.2	0	0	112.2	S52 L57 S58	S52-E54 PolarHBondContact O-N 2.81Å; E54-L57 PolarHBondContact O-N 2.89Å; E54-S58 WeakPolarHBondContact O-CB 3.31Å; E54-S58 PolarHBondContact O-N 3.4Å
55	Y	92.4	Very high	88.4	Confident	75 Å²	75	82.3 Å²	82.3	29%	0.294	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-50	174.1	177.3	-96.1	0	0	0	110.8	F22 Y48 K51 S52 L53 L57 S58 L59	F22-Y55 HydrophobicContact CE1-CE1 4.32Å; F22-Y55 HydrophobicContact CZ-CE1 4.43Å; Y48-Y55 AromaticContact CD1-CE1 3.8Å; Y48-Y55 HydrophobicContact CD1-CE1 3.8Å; Y48-Y55 HydrophobicContact CE1-CE1 4.12Å; Y48-Y55 AromaticContact CE1-CZ 4Å; Y48-Y55 VanDerWaalsContact CE1-OH 3.27Å; Y48-Y55 WeakPolarHBondContact CE1-OH 3.14Å; K51-Y55 HydrophobicContact CB-CD1 3.61Å; K51-Y55 HydrophobicContact CB-CE1 4.35Å; K51-Y55 HydrophobicContact CB-CG 3.94Å; K51-Y55 HydrophobicContact CD-CD1 4.36Å; K51-Y55 HydrophobicContact CD-CD2 4.44Å; K51-Y55 HydrophobicContact CD-CG 4.28Å; K51-Y55 HydrophobicContact CG-CD1 3.82Å; K51-Y55 HydrophobicContact CG-CE1 4.09Å; K51-Y55 HydrophobicContact CG-CG 4.19Å; S52-Y55 VanDerWaalsContact O-CB 3.28Å; S52-Y55 WeakPolarHBondContact O-CB 3.28Å; S52-Y55 PolarHBondContact O-N 3.05Å; S52-Y55 PolarHBondContact OG-N 2.8Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 PolarHBondContact O-N 3.01Å; Y55-L57 PolarHBondContact O-N 3.29Å; Y55-S58 PolarHBondContact O-N 2.89Å; Y55-S58 PolarHBondContact O-OG 3.39Å; Y55-L59 HydrophobicContact CE1-CD2 4.36Å; Y55-L59 WeakPolarHBondContact O-CB 3.27Å; Y55-L59 PolarHBondContact O-N 3.03Å
56	F	92	Very high	87	Confident	2 Å²	2	88.9 Å²	88.9	1%	0.009	43%	0.428	C	S	.	.	H	α-helix	trans	-66.1	-35.3	179.5	-66.6	-75.6	0	0	0	113.3	L4 A5 F22 K51 S52 L53 L59 R60	L4-F56 HydrophobicContact CD1-CB 4.14Å; L4-F56 HydrophobicContact CG-CB 4.05Å; L4-F56 VanDerWaalsContact O-CB 3.27Å; L4-F56 WeakPolarHBondContact O-CB 3.33Å; L4-F56 VanDerWaalsContact O-CG 3.28Å; L4-F56 WeakPolarHBondContact O-CG 3.34Å; A5-F56 WeakPolarHBondContact O-CE2 3.26Å; F22-F56 AromaticContact CE2-CE1 3.74Å; F22-F56 HydrophobicContact CE2-CE1 3.74Å; F22-F56 HydrophobicContact CZ-CD1 4.14Å; F22-F56 AromaticContact CZ-CE1 3.5Å; F22-F56 HydrophobicContact CZ-CE1 3.5Å; F22-F56 HydrophobicContact CZ-CZ 4.43Å; K51-F56 HydrophobicContact CB-CE2 3.95Å; K51-F56 HydrophobicContact CB-CZ 4.23Å; S52-F56 VanDerWaalsContact O-CD2 3.26Å; S52-F56 WeakPolarHBondContact O-CD2 3.28Å; S52-F56 PolarHBondContact O-N 3.39Å; L53-F56 PolarHBondContact O-N 2.91Å; F56-L59 PolarHBondContact O-N 3.12Å; F56-R60 WeakPolarHBondContact O-CB 3.45Å; F56-R60 PolarHBondContact O-N 3.24Å
57	L	90.6	Very high	85.5	Confident	59 Å²	59	86.3 Å²	86.3	31%	0.309	42%	0.416	S	S	.	.	H	α-helix	trans	-60.9	-49.5	172.1	-77	165	0	0	0	111	L4 L53 E54 Y55 L59 R60 D61	L4-L57 HydrophobicContact CD2-CD2 3.46Å; L4-L57 VanDerWaalsContact CD2-CD2 3.46Å; L4-L57 HydrophobicContact CD2-CG 3.88Å; L53-L57 HydrophobicContact CG-CD1 4.15Å; L53-L57 HydrophobicContact CG-CG 4.46Å; L53-L57 WeakPolarHBondContact O-CG 3.24Å; L53-L57 PolarHBondContact O-N 3.31Å; E54-L57 PolarHBondContact O-N 2.89Å; Y55-L57 PolarHBondContact O-N 3.29Å; L57-L59 VanDerWaalsContact C-N 3.28Å; L57-L59 PolarHBondContact O-N 2.88Å; L57-R60 PolarHBondContact O-N 3.47Å; L57-D61 WeakPolarHBondContact O-CB 3.43Å; L57-D61 PolarHBondContact O-N 3.29Å
58	S	90	Very high	84	Confident	67 Å²	67	82.5 Å²	82.5	47%	0.469	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-38.9	177.6	78.2	0	0	0	0	111.8	E54 Y55 D61 S62	E54-S58 WeakPolarHBondContact O-CB 3.31Å; E54-S58 PolarHBondContact O-N 3.4Å; Y55-S58 PolarHBondContact O-N 2.89Å; Y55-S58 PolarHBondContact O-OG 3.39Å; S58-D61 PolarHBondContact O-N 3.23Å; S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.06Å
59	L	89.1	Confident	82.4	Confident	36 Å²	36	85.5 Å²	85.5	19%	0.188	42%	0.419	C	S	.	.	H	α-helix	trans	-65.2	-48	177.6	-175.9	62.6	0	0	0	111.2	L21 F22 Y55 F56 L57 D61 S62 F63	L21-L59 HydrophobicContact CB-CD2 4.04Å; L21-L59 HydrophobicContact CD1-CD2 4.22Å; L21-L59 HydrophobicContact CD1-CG 4.29Å; F22-L59 HydrophobicContact CD1-CD2 3.98Å; F22-L59 HydrophobicContact CE1-CD2 3.42Å; F22-L59 VanDerWaalsContact CE1-CD2 3.42Å; F22-L59 HydrophobicContact CZ-CD2 3.91Å; Y55-L59 HydrophobicContact CE1-CD2 4.36Å; Y55-L59 WeakPolarHBondContact O-CB 3.27Å; Y55-L59 PolarHBondContact O-N 3.03Å; F56-L59 PolarHBondContact O-N 3.12Å; L57-L59 VanDerWaalsContact C-N 3.28Å; L57-L59 PolarHBondContact O-N 2.88Å; L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 2.72Å; L59-S62 PolarHBondContact O-N 2.88Å; L59-S62 PolarHBondContact O-OG 2.94Å; L59-F63 WeakPolarHBondContact O-CB 3.44Å; L59-F63 PolarHBondContact O-N 3.37Å
60	R	88.2	Confident	81.1	Confident	62 Å²	62	87.2 Å²	87.2	23%	0.234	43%	0.434	C	S	.	.	H	α-helix	trans	-57.7	-44.1	174.8	179.5	-161.4	72.1	-170.1	-3.7	111.5	L4 V9 L21 F56 L57 F63 R64	L4-R60 HydrophobicContact CD1-CB 4.07Å; V9-R60 HydrophobicContact CG1-CB 4.38Å; V9-R60 HydrophobicContact CG1-CG 3.9Å; L21-R60 HydrophobicContact CD1-CB 4.2Å; F56-R60 WeakPolarHBondContact O-CB 3.45Å; F56-R60 PolarHBondContact O-N 3.24Å; L57-R60 PolarHBondContact O-N 3.47Å; R60-F63 WeakPolarHBondContact O-CB 3.31Å; R60-F63 PolarHBondContact O-N 3.5Å; R60-R64 WeakPolarHBondContact O-CG 3.39Å; R60-R64 PolarHBondContact O-N 3.39Å
61	D	87.7	Confident	79.6	Confident	64 Å²	64	83.4 Å²	83.4	34%	0.342	42%	0.416	S	S	.	.	H	α-helix	trans	-69.7	-37.4	-177.6	-66	-12.5	0	0	0	110.9	L57 S58 L59 F63 R64 K65	L57-D61 WeakPolarHBondContact O-CB 3.43Å; L57-D61 PolarHBondContact O-N 3.29Å; S58-D61 PolarHBondContact O-N 3.23Å; L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 2.72Å; D61-F63 VanDerWaalsContact C-N 3.33Å; D61-R64 PolarHBondContact O-N 3.41Å; D61-K65 WeakPolarHBondContact O-CB 3.4Å; D61-K65 VanDerWaalsContact O-CG 3.31Å; D61-K65 WeakPolarHBondContact O-CG 3.38Å; D61-K65 PolarHBondContact O-N 3.28Å
62	S	85	Confident	78	Confident	46 Å²	46	82 Å²	82	32%	0.322	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-39.7	170.8	81.9	0	0	0	0	112.1	S58 L59 K65 K66	S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.06Å; L59-S62 PolarHBondContact O-N 2.88Å; L59-S62 PolarHBondContact O-OG 2.94Å; S62-K65 PolarHBondContact O-N 3.34Å; S62-K66 WeakPolarHBondContact O-CG 3.32Å; S62-K66 PolarHBondContact O-N 3.01Å
63	F	82.5	Confident	76.3	Confident	47 Å²	47	84.7 Å²	84.7	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-44.1	177.2	179.5	-95.1	0	0	0	111.4	P12 L21 M24 L59 R60 D61 K66 T68	P12-F63 HydrophobicContact CG-CE1 4.09Å; P12-F63 HydrophobicContact CG-CZ 4.25Å; L21-F63 HydrophobicContact CD2-CB 4.07Å; L21-F63 HydrophobicContact CD2-CD1 4.19Å; L21-F63 HydrophobicContact CD2-CD2 4.49Å; L21-F63 HydrophobicContact CD2-CG 3.97Å; M24-F63 HydrophobicContact CE-CD2 4.43Å; M24-F63 HydrophobicContact CE-CE1 4.5Å; M24-F63 HydrophobicContact CE-CE2 3.23Å; M24-F63 HydrophobicContact CE-CZ 3.29Å; M24-F63 HydrophobicContact SD-CD2 4.29Å; M24-F63 HydrophobicContact SD-CE2 3.54Å; M24-F63 VanDerWaalsContact SD-CE2 3.54Å; M24-F63 HydrophobicContact SD-CZ 4.1Å; L59-F63 WeakPolarHBondContact O-CB 3.44Å; L59-F63 PolarHBondContact O-N 3.37Å; R60-F63 WeakPolarHBondContact O-CB 3.31Å; R60-F63 PolarHBondContact O-N 3.5Å; D61-F63 VanDerWaalsContact C-N 3.33Å; F63-K66 PolarHBondContact O-N 3.05Å; F63-T68 HydrophobicContact CZ-CG2 4.4Å
64	R	78.4	Confident	74.7	Confident	166 Å²	166	82.4 Å²	82.4	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-64.8	-38.9	175.4	-74.2	-179.6	173.4	-167.3	-3.7	112.5	R60 D61 K66 G67	R60-R64 WeakPolarHBondContact O-CG 3.39Å; R60-R64 PolarHBondContact O-N 3.39Å; D61-R64 PolarHBondContact O-N 3.41Å; R64-K66 VanDerWaalsContact C-N 3.34Å; R64-G67 PolarHBondContact O-N 3.37Å
65	K	74.4	Confident	73.1	Confident	185 Å²	185	81 Å²	81	80%	0.804	41%	0.409	S	S	*	.	H	α-helix	trans	-67.2	-32.3	176.5	-76.9	179.2	-179.3	-177.2	0	113	D61 S62 G67	D61-K65 WeakPolarHBondContact O-CB 3.4Å; D61-K65 VanDerWaalsContact O-CG 3.31Å; D61-K65 WeakPolarHBondContact O-CG 3.38Å; D61-K65 PolarHBondContact O-N 3.28Å; S62-K65 PolarHBondContact O-N 3.34Å; K65-G67 PolarHBondContact O-N 2.79Å
66	K	66.3	Low	71.4	Confident	160 Å²	160	80.2 Å²	80.2	70%	0.696	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.3	179.3	-80.7	179.9	179.4	-178.2	0	113.4	S62 F63 R64 I72	S62-K66 WeakPolarHBondContact O-CG 3.32Å; S62-K66 PolarHBondContact O-N 3.01Å; F63-K66 PolarHBondContact O-N 3.05Å; R64-K66 VanDerWaalsContact C-N 3.34Å; K66-I72 WeakPolarHBondContact O-CD1 3.39Å
67	G	59.9	Low	69.8	Low	22 Å²	22	83.7 Å²	83.7	23%	0.227	44%	0.438	C	S	.	.			trans	67.4	142.8	-174.3	0	0	0	0	0	110.8	R64 K65	R64-G67 PolarHBondContact O-N 3.37Å; K65-G67 PolarHBondContact O-N 2.79Å
68	T	61.4	Low	68.4	Low	32 Å²	32	87.6 Å²	87.6	20%	0.196	46%	0.455	C	S	.	.			trans	-75.9	150	168.8	51.1	0	0	0	0	109.1	P12 F63 Q71 I72	P12-T68 HydrophobicContact CB-CG2 3.55Å; P12-T68 HydrophobicContact CG-CG2 3.55Å; F63-T68 HydrophobicContact CZ-CG2 4.4Å; T68-Q71 VanDerWaalsContact N-OE1 3.12Å; T68-Q71 WeakPolarHBondContact O-CA 3.4Å; T68-Q71 WeakPolarHBondContact O-CB 3.39Å; T68-Q71 PolarHBondContact O-N 3.2Å; T68-Q71 PolarHBondContact OG1-OE1 3.43Å; T68-Q71 VanDerWaalsContact OG1-OE1 3.05Å; T68-I72 PolarHBondContact O-N 2.97Å
69	L	55.9	Low	67	Low	119 Å²	119	90 Å²	90	62%	0.623	46%	0.459	S	S	*	.	H	α-helix	trans	-46.9	-39.1	-178.9	-146.5	140.6	0	0	0	113.5	I72 M73	L69-I72 PolarHBondContact O-N 3.33Å; L69-M73 HydrophobicContact CD2-CE 3.29Å; L69-M73 HydrophobicContact CD2-CG 4.3Å; L69-M73 HydrophobicContact CD2-SD 3.75Å; L69-M73 WeakPolarHBondContact O-CB 3.4Å; L69-M73 VanDerWaalsContact O-CG 3.3Å; L69-M73 WeakPolarHBondContact O-CG 3.49Å; L69-M73 PolarHBondContact O-N 3.49Å
70	P	57.9	Low	65.8	Low	96 Å²	96	93.5 Å²	93.5	62%	0.623	48%	0.477	S	S	*	.	H	α-helix	trans	-65.8	-36.9	172.1	-21.8	34.7	0	0	0	114.8	M73 G74	P70-M73 PolarHBondContact O-N 2.88Å; P70-G74 PolarHBondContact O-N 3.3Å
71	Q	57.1	Low	65.4	Low	112 Å²	112	95.6 Å²	95.6	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-68.4	-41.5	175.4	-77	171	-35.2	0	0	111.4	T68 G74 Q75	T68-Q71 VanDerWaalsContact N-OE1 3.12Å; T68-Q71 WeakPolarHBondContact O-CA 3.4Å; T68-Q71 WeakPolarHBondContact O-CB 3.39Å; T68-Q71 PolarHBondContact O-N 3.2Å; T68-Q71 PolarHBondContact OG1-OE1 3.43Å; T68-Q71 VanDerWaalsContact OG1-OE1 3.05Å; Q71-G74 PolarHBondContact O-N 3.46Å; Q71-Q75 WeakPolarHBondContact O-CB 3.3Å; Q71-Q75 WeakPolarHBondContact O-CG 3.27Å; Q71-Q75 PolarHBondContact O-N 3.4Å
72	I	57.7	Low	65.4	Low	72 Å²	72	98.6 Å²	98.6	37%	0.369	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-46.9	174.6	-57.4	170.6	0	0	0	109.3	K66 T68 L69 G74 Q75 C76	K66-I72 WeakPolarHBondContact O-CD1 3.39Å; T68-I72 PolarHBondContact O-N 2.97Å; L69-I72 PolarHBondContact O-N 3.33Å; I72-G74 VanDerWaalsContact C-N 3.34Å; I72-G74 PolarHBondContact O-N 2.93Å; I72-Q75 PolarHBondContact O-N 2.84Å; I72-C76 WeakPolarHBondContact O-CB 3.37Å; I72-C76 PolarHBondContact O-N 2.82Å; I72-C76 PolarHBondContact O-SG 3.47Å
73	M	53.8	Low	65.7	Low	121 Å²	121	96.6 Å²	96.6	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-60.2	-42	175.7	-78.3	177.5	169.7	0	0	112.4	L69 P70 C76 S77	L69-M73 HydrophobicContact CD2-CE 3.29Å; L69-M73 HydrophobicContact CD2-CG 4.3Å; L69-M73 HydrophobicContact CD2-SD 3.75Å; L69-M73 WeakPolarHBondContact O-CB 3.4Å; L69-M73 VanDerWaalsContact O-CG 3.3Å; L69-M73 WeakPolarHBondContact O-CG 3.49Å; L69-M73 PolarHBondContact O-N 3.49Å; P70-M73 PolarHBondContact O-N 2.88Å; M73-C76 PolarHBondContact O-N 3.31Å; M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.38Å; M73-S77 PolarHBondContact O-N 2.84Å
74	G	56.8	Low	66.2	Low	33 Å²	33	96.9 Å²	96.9	34%	0.34	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.3	0	0	0	0	0	112.6	P70 Q71 I72 S77 Q78	P70-G74 PolarHBondContact O-N 3.3Å; Q71-G74 PolarHBondContact O-N 3.46Å; I72-G74 VanDerWaalsContact C-N 3.34Å; I72-G74 PolarHBondContact O-N 2.93Å; G74-S77 PolarHBondContact O-N 2.95Å; G74-Q78 WeakPolarHBondContact O-CG 3.31Å; G74-Q78 PolarHBondContact O-N 3.3Å
75	Q	57.8	Low	67	Low	125 Å²	125	92.9 Å²	92.9	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-45	176	-74	177.4	-16.7	0	0	112.1	Q71 I72 S77 Q78 Q79	Q71-Q75 WeakPolarHBondContact O-CB 3.3Å; Q71-Q75 WeakPolarHBondContact O-CG 3.27Å; Q71-Q75 PolarHBondContact O-N 3.4Å; I72-Q75 PolarHBondContact O-N 2.84Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.43Å; Q75-Q78 PolarHBondContact O-N 2.98Å; Q75-Q79 PolarHBondContact O-N 3.36Å
76	C	56.4	Low	68	Low	58 Å²	58	85.5 Å²	85.5	39%	0.392	46%	0.463	S	S	.	.	H	α-helix	trans	-60.2	-41.3	173.9	-71.2	0	0	0	0	111.3	I72 M73 Q79 L80	I72-C76 WeakPolarHBondContact O-CB 3.37Å; I72-C76 PolarHBondContact O-N 2.82Å; I72-C76 PolarHBondContact O-SG 3.47Å; M73-C76 PolarHBondContact O-N 3.31Å; C76-Q79 PolarHBondContact O-N 2.95Å; C76-L80 VanDerWaalsContact O-CB 3.31Å; C76-L80 WeakPolarHBondContact O-CB 3.4Å; C76-L80 WeakPolarHBondContact O-CD1 3.19Å; C76-L80 WeakPolarHBondContact O-CG 3.42Å; C76-L80 PolarHBondContact O-N 3.33Å
77	S	59.6	Low	69.5	Low	76 Å²	76	77.9 Å²	77.9	53%	0.531	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-42.3	177.6	-170.8	0	0	0	0	112	M73 G74 Q75 L80 D81	M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.38Å; M73-S77 PolarHBondContact O-N 2.84Å; G74-S77 PolarHBondContact O-N 2.95Å; Q75-S77 VanDerWaalsContact C-N 3.31Å; Q75-S77 PolarHBondContact O-N 3.43Å; S77-L80 PolarHBondContact O-N 3.44Å; S77-D81 WeakPolarHBondContact O-CB 3.47Å; S77-D81 PolarHBondContact O-N 3.38Å
78	Q	61.6	Low	71.3	Confident	140 Å²	140	80.6 Å²	80.6	65%	0.654	43%	0.434	S	S	*	.	H	α-helix	trans	-65.9	-41.9	176.3	-73.7	176.3	-7.5	0	0	111.8	G74 Q75 D81 M82	G74-Q78 WeakPolarHBondContact O-CG 3.31Å; G74-Q78 PolarHBondContact O-N 3.3Å; Q75-Q78 PolarHBondContact O-N 2.98Å; Q78-D81 PolarHBondContact O-N 3.4Å; Q78-M82 WeakPolarHBondContact O-CG 3.3Å; Q78-M82 PolarHBondContact O-N 3.07Å
79	Q	59.8	Low	73	Confident	119 Å²	119	85.2 Å²	85.2	56%	0.556	45%	0.451	S	S	*	.	H	α-helix	trans	-64.3	-41.8	175.3	-75.9	-174.7	-20.2	0	0	112	Q75 C76 D81 M82 G83	Q75-Q79 PolarHBondContact O-N 3.36Å; C76-Q79 PolarHBondContact O-N 2.95Å; Q79-D81 VanDerWaalsContact C-N 3.3Å; Q79-D81 PolarHBondContact O-N 3.02Å; Q79-M82 PolarHBondContact O-N 3.04Å; Q79-G83 PolarHBondContact O-N 3.46Å
80	L	62.9	Low	75	Confident	108 Å²	108	81.2 Å²	81.2	57%	0.565	43%	0.43	S	S	*	.	H	α-helix	trans	-62.2	-37.7	175	-76.2	166.4	0	0	0	111.8	C76 S77 T84	C76-L80 VanDerWaalsContact O-CB 3.31Å; C76-L80 WeakPolarHBondContact O-CB 3.4Å; C76-L80 WeakPolarHBondContact O-CD1 3.19Å; C76-L80 WeakPolarHBondContact O-CG 3.42Å; C76-L80 PolarHBondContact O-N 3.33Å; S77-L80 PolarHBondContact O-N 3.44Å; L80-T84 WeakPolarHBondContact O-CB 3.48Å; L80-T84 PolarHBondContact O-N 2.85Å; L80-T84 PolarHBondContact O-OG1 3.08Å
81	D	80	Confident	76.9	Confident	107 Å²	107	76.7 Å²	76.7	57%	0.572	40%	0.4	S	S	*	.	H	α-helix	trans	-66.6	-47.6	176.7	-172	39.5	0	0	0	111.4	S77 Q78 Q79 G83 T84 L85	S77-D81 WeakPolarHBondContact O-CB 3.47Å; S77-D81 PolarHBondContact O-N 3.38Å; Q78-D81 PolarHBondContact O-N 3.4Å; Q79-D81 VanDerWaalsContact C-N 3.3Å; Q79-D81 PolarHBondContact O-N 3.02Å; D81-G83 PolarHBondContact O-N 2.9Å; D81-T84 PolarHBondContact O-N 3.43Å; D81-L85 WeakPolarHBondContact O-CB 3.26Å; D81-L85 PolarHBondContact O-N 2.73Å
82	M	88.7	Confident	78.9	Confident	126 Å²	126	76 Å²	76	62%	0.621	40%	0.396	S	S	*	.	H	α-helix	trans	-65.8	-40.8	178.6	-65.8	-63.1	-86	0	0	112.6	Q78 Q79 T84 L85 A86	Q78-M82 WeakPolarHBondContact O-CG 3.3Å; Q78-M82 PolarHBondContact O-N 3.07Å; Q79-M82 PolarHBondContact O-N 3.04Å; M82-T84 VanDerWaalsContact C-N 3.35Å; M82-L85 PolarHBondContact O-N 2.92Å; M82-A86 WeakPolarHBondContact O-CB 3.35Å; M82-A86 PolarHBondContact O-N 2.84Å
83	G	91.4	Very high	80.8	Confident	5 Å²	5	77.4 Å²	77.4	5%	0.052	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-36.2	175.4	0	0	0	0	0	112.7	Q79 D81 A86 S87 A130	Q79-G83 PolarHBondContact O-N 3.46Å; D81-G83 PolarHBondContact O-N 2.9Å; G83-A86 PolarHBondContact O-N 3.21Å; G83-S87 WeakPolarHBondContact O-CB 3.44Å; G83-S87 PolarHBondContact O-N 3.09Å; G83-A130 CarbonylContact C-O 3.2Å; G83-A130 VanDerWaalsContact CA-O 3.24Å; G83-A130 WeakPolarHBondContact CA-O 3.27Å
84	T	93	Very high	82.9	Confident	53 Å²	53	71.9 Å²	71.9	33%	0.325	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-47.4	171.6	-64.6	0	0	0	0	111.1	L80 D81 M82 A86 S87 Y88 R141	L80-T84 WeakPolarHBondContact O-CB 3.48Å; L80-T84 PolarHBondContact O-N 2.85Å; L80-T84 PolarHBondContact O-OG1 3.08Å; D81-T84 PolarHBondContact O-N 3.43Å; M82-T84 VanDerWaalsContact C-N 3.35Å; T84-A86 VanDerWaalsContact C-N 3.34Å; T84-A86 PolarHBondContact O-N 3.07Å; T84-S87 PolarHBondContact O-N 3.43Å; T84-Y88 HydrophobicContact CG2-CD2 4.15Å; T84-Y88 HydrophobicContact CG2-CE2 4Å; T84-Y88 WeakPolarHBondContact O-CD2 3.39Å; T84-Y88 PolarHBondContact O-N 3.48Å; T84-R141 PolarHBondContact O-NH1 3.46Å
85	L	94.6	Very high	84.9	Confident	81 Å²	81	72.6 Å²	72.6	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-59.4	-44.4	176.1	178.5	61.6	0	0	0	112	D81 M82 S87 Y88 K89	D81-L85 WeakPolarHBondContact O-CB 3.26Å; D81-L85 PolarHBondContact O-N 2.73Å; M82-L85 PolarHBondContact O-N 2.92Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.31Å; L85-Y88 PolarHBondContact O-N 3.21Å; L85-K89 WeakPolarHBondContact O-CG 3.48Å; L85-K89 PolarHBondContact O-N 3.45Å
86	A	96.1	Very high	86.8	Confident	30 Å²	30	75.1 Å²	75.1	25%	0.248	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-44.5	177	0	0	0	0	0	111.5	M82 G83 T84 Y88 K89 I90 I131	M82-A86 WeakPolarHBondContact O-CB 3.35Å; M82-A86 PolarHBondContact O-N 2.84Å; G83-A86 PolarHBondContact O-N 3.21Å; T84-A86 VanDerWaalsContact C-N 3.34Å; T84-A86 PolarHBondContact O-N 3.07Å; A86-Y88 VanDerWaalsContact C-N 3.35Å; A86-Y88 PolarHBondContact O-N 2.99Å; A86-K89 PolarHBondContact O-N 3.01Å; A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 2.97Å; A86-I131 HydrophobicContact CB-CG1 4.43Å; A86-I131 HydrophobicContact CB-CG2 4.24Å
87	S	96.7	Very high	88.7	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.5	-35.4	179.9	168.7	0	0	0	0	112.7	G83 T84 L85 K89 I90 S91 P132 R141	G83-S87 WeakPolarHBondContact O-CB 3.44Å; G83-S87 PolarHBondContact O-N 3.09Å; T84-S87 PolarHBondContact O-N 3.43Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.31Å; S87-K89 PolarHBondContact O-N 3.49Å; S87-I90 PolarHBondContact O-N 3.47Å; S87-S91 WeakPolarHBondContact O-CB 3.18Å; S87-S91 PolarHBondContact O-N 3.38Å; S87-S91 PolarHBondContact O-OG 2.84Å; S87-P132 WeakPolarHBondContact CB-O 3.35Å; S87-P132 PolarHBondContact OG-O 2.91Å; S87-R141 VanDerWaalsContact OG-CD 3.28Å; S87-R141 WeakPolarHBondContact OG-CD 3.48Å; S87-R141 PolarHBondContact OG-NE 3.27Å; S87-R141 PolarHBondContact OG-NH1 3.23Å; S87-R141 PolarHBondContact OG-NH2 3.34Å
88	Y	97.7	Very high	90.4	Very high	80 Å²	80	76.4 Å²	76.4	31%	0.314	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-43	175	-89.3	-76.5	0	0	0	111.1	T84 L85 A86 I90 S91 K92 R141 E144 M145	T84-Y88 HydrophobicContact CG2-CD2 4.15Å; T84-Y88 HydrophobicContact CG2-CE2 4Å; T84-Y88 WeakPolarHBondContact O-CD2 3.39Å; T84-Y88 PolarHBondContact O-N 3.48Å; L85-Y88 PolarHBondContact O-N 3.21Å; A86-Y88 VanDerWaalsContact C-N 3.35Å; A86-Y88 PolarHBondContact O-N 2.99Å; Y88-I90 VanDerWaalsContact C-N 3.34Å; Y88-I90 PolarHBondContact O-N 3.48Å; Y88-S91 PolarHBondContact O-N 3.47Å; Y88-K92 WeakPolarHBondContact O-CB 3.49Å; Y88-K92 PolarHBondContact O-N 3.45Å; Y88-R141 HydrophobicContact CD1-CB 4Å; Y88-R141 HydrophobicContact CD1-CG 4.01Å; Y88-R141 HydrophobicContact CE1-CB 4.01Å; Y88-R141 HydrophobicContact CE1-CG 3.84Å; Y88-R141 HydrophobicContact CG-CG 4.48Å; Y88-E144 PolarHBondContact OH-OE2 3.46Å; Y88-M145 HydrophobicContact CD1-CG 4.13Å; Y88-M145 HydrophobicContact CD1-SD 4.17Å; Y88-M145 HydrophobicContact CE1-CG 4.42Å
89	K	97.8	Very high	92.1	Very high	129 Å²	129	73.7 Å²	73.7	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-42.1	177.4	-69.3	176.5	179	177.9	0	111.5	L85 A86 S87 K92 L93	L85-K89 WeakPolarHBondContact O-CG 3.48Å; L85-K89 PolarHBondContact O-N 3.45Å; A86-K89 PolarHBondContact O-N 3.01Å; S87-K89 PolarHBondContact O-N 3.49Å; K89-K92 PolarHBondContact O-N 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.24Å; K89-L93 PolarHBondContact O-N 3.49Å
90	I	98	Very high	93.9	Very high	35 Å²	35	70.9 Å²	70.9	18%	0.179	39%	0.387	C	S	.	.	H	α-helix	trans	-69.3	-46.1	177.8	-66.9	167.5	0	0	0	110.7	A86 S87 Y88 K92 L93 I94 I108 I131 L133	A86-I90 WeakPolarHBondContact O-CG1 3.25Å; A86-I90 PolarHBondContact O-N 2.97Å; S87-I90 PolarHBondContact O-N 3.47Å; Y88-I90 VanDerWaalsContact C-N 3.34Å; Y88-I90 PolarHBondContact O-N 3.48Å; I90-K92 PolarHBondContact O-N 3.4Å; I90-L93 WeakPolarHBondContact O-CA 3.21Å; I90-L93 WeakPolarHBondContact O-CB 3.46Å; I90-L93 PolarHBondContact O-N 2.88Å; I90-I94 HydrophobicContact CG2-CD1 4Å; I90-I94 HydrophobicContact CG2-CG1 4.41Å; I90-I94 WeakPolarHBondContact O-CG1 3.26Å; I90-I94 PolarHBondContact O-N 3.43Å; I90-I108 HydrophobicContact CG2-CD1 3.63Å; I90-I108 HydrophobicContact CG2-CG2 4.42Å; I90-I131 HydrophobicContact CD1-CG2 4.26Å; I90-L133 HydrophobicContact CB-CD1 4.48Å; I90-L133 HydrophobicContact CB-CD2 3.96Å; I90-L133 HydrophobicContact CD1-CD1 3.8Å; I90-L133 HydrophobicContact CG2-CD1 3.96Å; I90-L133 HydrophobicContact CG2-CD2 3.66Å; I90-L133 HydrophobicContact CG2-CG 4.5Å
91	S	98.3	Very high	95.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-55.6	-38.9	174	-64.9	0	0	0	0	112.2	S87 Y88 L93 I94 A95	S87-S91 WeakPolarHBondContact O-CB 3.18Å; S87-S91 PolarHBondContact O-N 3.38Å; S87-S91 PolarHBondContact O-OG 2.84Å; Y88-S91 PolarHBondContact O-N 3.47Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.18Å; S91-I94 PolarHBondContact O-N 3.35Å; S91-A95 PolarHBondContact O-N 2.98Å
92	K	98.1	Very high	96.4	Very high	98 Å²	98	67 Å²	67	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-37.9	174.8	-175.5	174.7	-177.3	168.1	0	112.4	Y88 K89 I90 R96 M145	Y88-K92 WeakPolarHBondContact O-CB 3.49Å; Y88-K92 PolarHBondContact O-N 3.45Å; K89-K92 PolarHBondContact O-N 3.26Å; I90-K92 PolarHBondContact O-N 3.4Å; K92-R96 VanDerWaalsContact CE-CZ 3.49Å; K92-R96 WeakPolarHBondContact O-CB 3.34Å; K92-R96 VanDerWaalsContact O-CG 3.24Å; K92-R96 WeakPolarHBondContact O-CG 3.45Å; K92-R96 PolarHBondContact O-N 3.46Å; K92-M145 HydrophobicContact CB-CE 4Å; K92-M145 HydrophobicContact CB-SD 3.94Å; K92-M145 HydrophobicContact CG-SD 4.44Å
93	L	98.2	Very high	96.8	Very high	101 Å²	101	61.6 Å²	61.6	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-68	-41.5	174.6	-68.9	170.3	0	0	0	111.5	K89 I90 S91 R96 T97	K89-L93 WeakPolarHBondContact O-CG 3.24Å; K89-L93 PolarHBondContact O-N 3.49Å; I90-L93 WeakPolarHBondContact O-CA 3.21Å; I90-L93 WeakPolarHBondContact O-CB 3.46Å; I90-L93 PolarHBondContact O-N 2.88Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.18Å; L93-R96 PolarHBondContact O-N 2.75Å; L93-T97 WeakPolarHBondContact O-CG2 3.44Å; L93-T97 PolarHBondContact O-N 3.01Å; L93-T97 VanDerWaalsContact O-N 3.1Å; L93-T97 PolarHBondContact O-OG1 3.41Å
94	I	98.1	Very high	97	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-58.6	-50.5	175.9	-65.8	169.7	0	0	0	110	I90 S91 R96 T97 G98 N99 V103 I108 V138 I142	I90-I94 HydrophobicContact CG2-CD1 4Å; I90-I94 HydrophobicContact CG2-CG1 4.41Å; I90-I94 WeakPolarHBondContact O-CG1 3.26Å; I90-I94 PolarHBondContact O-N 3.43Å; S91-I94 PolarHBondContact O-N 3.35Å; I94-R96 PolarHBondContact O-N 3.05Å; I94-T97 PolarHBondContact O-N 2.83Å; I94-T97 PolarHBondContact O-OG1 2.98Å; I94-T97 VanDerWaalsContact O-OG1 3.11Å; I94-G98 PolarHBondContact O-N 2.92Å; I94-G98 VanDerWaalsContact O-N 3.14Å; I94-N99 HydrophobicContact CG2-CB 4.04Å; I94-N99 WeakPolarHBondContact CG2-O 3.32Å; I94-N99 PolarHBondContact O-N 2.69Å; I94-N99 VanDerWaalsContact O-N 3.17Å; I94-V103 HydrophobicContact CB-CG1 4.42Å; I94-V103 HydrophobicContact CD1-CG1 3.58Å; I94-V103 HydrophobicContact CG1-CG1 3.62Å; I94-V103 HydrophobicContact CG2-CG1 3.95Å; I94-I108 HydrophobicContact CD1-CD1 4.06Å; I94-I108 HydrophobicContact CG1-CD1 4.22Å; I94-V138 HydrophobicContact CB-CG1 4.4Å; I94-V138 HydrophobicContact CD1-CG1 3.73Å; I94-V138 HydrophobicContact CD1-CG2 4.05Å; I94-V138 HydrophobicContact CG2-CG1 4.08Å; I94-I142 HydrophobicContact CG2-CD1 4.46Å
95	A	97.5	Very high	97.2	Very high	48 Å²	48	63.1 Å²	63.1	40%	0.397	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-46.9	177.6	0	0	0	0	0	112.5	S91 T97 G98 I142	S91-A95 PolarHBondContact O-N 2.98Å; A95-T97 PolarHBondContact O-N 3.33Å; A95-G98 PolarHBondContact O-N 3.44Å; A95-I142 HydrophobicContact CB-CD1 3.91Å; A95-I142 HydrophobicContact CB-CG1 3.96Å; A95-I142 HydrophobicContact CB-CG2 4.1Å
96	R	97.4	Very high	97.3	Very high	179 Å²	179	68 Å²	68	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-61.6	-28.7	-180	-80.6	175.2	167.8	-172.3	-8	114.1	K92 L93 I94	K92-R96 VanDerWaalsContact CE-CZ 3.49Å; K92-R96 WeakPolarHBondContact O-CB 3.34Å; K92-R96 VanDerWaalsContact O-CG 3.24Å; K92-R96 WeakPolarHBondContact O-CG 3.45Å; K92-R96 PolarHBondContact O-N 3.46Å; L93-R96 PolarHBondContact O-N 2.75Å; I94-R96 PolarHBondContact O-N 3.05Å
97	T	97.3	Very high	97.3	Very high	91 Å²	91	70.7 Å²	70.7	56%	0.558	36%	0.364	S	S	*	.	H	α-helix	trans	-97	-2.8	-178.1	50.9	0	0	0	0	112.8	L93 I94 A95 N99	L93-T97 WeakPolarHBondContact O-CG2 3.44Å; L93-T97 PolarHBondContact O-N 3.01Å; L93-T97 VanDerWaalsContact O-N 3.1Å; L93-T97 PolarHBondContact O-OG1 3.41Å; I94-T97 PolarHBondContact O-N 2.83Å; I94-T97 PolarHBondContact O-OG1 2.98Å; I94-T97 VanDerWaalsContact O-OG1 3.11Å; A95-T97 PolarHBondContact O-N 3.33Å; T97-N99 VanDerWaalsContact C-N 3.26Å; T97-N99 WeakPolarHBondContact CB-ND2 3.3Å; T97-N99 PolarHBondContact O-N 3.07Å; T97-N99 PolarHBondContact OG1-ND2 3.33Å
98	G	96	Very high	97.3	Very high	69 Å²	69	72.8 Å²	72.8	71%	0.711	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	23.3	-178.7	0	0	0	0	0	113.9	I94 A95	I94-G98 PolarHBondContact O-N 2.92Å; I94-G98 VanDerWaalsContact O-N 3.14Å; A95-G98 PolarHBondContact O-N 3.44Å
99	N	96.9	Very high	97.3	Very high	84 Å²	84	70.2 Å²	70.2	45%	0.449	37%	0.366	S	S	.	.			trans	-78.6	152.9	180	-81.4	-66.9	0	0	0	111.9	I94 T97 V103	I94-N99 HydrophobicContact CG2-CB 4.04Å; I94-N99 WeakPolarHBondContact CG2-O 3.32Å; I94-N99 PolarHBondContact O-N 2.69Å; I94-N99 VanDerWaalsContact O-N 3.17Å; T97-N99 VanDerWaalsContact C-N 3.26Å; T97-N99 WeakPolarHBondContact CB-ND2 3.3Å; T97-N99 PolarHBondContact O-N 3.07Å; T97-N99 PolarHBondContact OG1-ND2 3.33Å; N99-V103 HydrophobicContact CB-CG1 4.09Å
100	A	97.4	Very high	97.3	Very high	60 Å²	60	66.9 Å²	66.9	50%	0.496	36%	0.357	S	S	.	.			trans	-62.3	144.7	174	0	0	0	0	0	111.7	N102 V103	A100-N102 WeakPolarHBondContact CB-OD1 3.47Å; A100-N102 PolarHBondContact O-N 3.4Å; A100-V103 VanDerWaalsContact O-CB 3.27Å; A100-V103 WeakPolarHBondContact O-CB 3.32Å; A100-V103 WeakPolarHBondContact O-CG1 3.47Å; A100-V103 PolarHBondContact O-N 2.96Å
101	H	97.3	Very high	97.2	Very high	60 Å²	60	67.1 Å²	67.1	28%	0.278	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31	-175.1	-57.7	160.1	0	0	0	113.4	V103 N135 V138 C139	H101-V103 PolarHBondContact O-N 3.18Å; H101-N135 WeakPolarHBondContact CB-OD1 3.31Å; H101-V138 HydrophobicContact CB-CB 4.14Å; H101-V138 HydrophobicContact CB-CG1 3.96Å; H101-C139 VanDerWaalsContact CE1-SG 3.56Å; H101-C139 WeakPolarHBondContact ND1-CB 3.38Å
102	N	97.3	Very high	97.1	Very high	72 Å²	72	69 Å²	69	39%	0.385	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.2	177.1	66.4	4	0	0	0	114	A100 G104 E105 W106 N135	A100-N102 WeakPolarHBondContact CB-OD1 3.47Å; A100-N102 PolarHBondContact O-N 3.4Å; N102-G104 PolarHBondContact O-N 3.43Å; N102-G104 VanDerWaalsContact O-N 3.13Å; N102-E105 WeakPolarHBondContact O-CG 3.46Å; N102-E105 PolarHBondContact O-N 3.19Å; N102-W106 VanDerWaalsContact O-CB 3.23Å; N102-W106 WeakPolarHBondContact O-CB 3.33Å; N102-W106 PolarHBondContact O-N 2.59Å; N102-N135 HydrophobicContact CB-CB 4.14Å; N102-N135 PolarHBondContact N-OD1 3.25Å
103	V	97.6	Very high	97	Very high	14 Å²	14	66.4 Å²	66.4	9%	0.085	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-28.8	177.7	75.9	0	0	0	0	111.8	I94 N99 A100 H101 L107 I108	I94-V103 HydrophobicContact CB-CG1 4.42Å; I94-V103 HydrophobicContact CD1-CG1 3.58Å; I94-V103 HydrophobicContact CG1-CG1 3.62Å; I94-V103 HydrophobicContact CG2-CG1 3.95Å; N99-V103 HydrophobicContact CB-CG1 4.09Å; A100-V103 VanDerWaalsContact O-CB 3.27Å; A100-V103 WeakPolarHBondContact O-CB 3.32Å; A100-V103 WeakPolarHBondContact O-CG1 3.47Å; A100-V103 PolarHBondContact O-N 2.96Å; H101-V103 PolarHBondContact O-N 3.18Å; V103-L107 HydrophobicContact CG2-CB 4.07Å; V103-L107 HydrophobicContact CG2-CD2 4.12Å; V103-L107 PolarHBondContact O-N 2.93Å; V103-I108 HydrophobicContact CG1-CD1 4.28Å; V103-I108 PolarHBondContact O-N 3.47Å
104	G	96.1	Very high	96.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.369	C	S	.	.	I	π-helix	trans	-57.2	-56.7	175.6	0	0	0	0	0	112.4	N102 I108 L109 L133	N102-G104 PolarHBondContact O-N 3.43Å; N102-G104 VanDerWaalsContact O-N 3.13Å; G104-I108 WeakPolarHBondContact O-CB 3.28Å; G104-I108 PolarHBondContact O-N 3.08Å; G104-L109 WeakPolarHBondContact O-CG 3.35Å; G104-L109 PolarHBondContact O-N 3.45Å; G104-L133 CarbonylContact C-O 3.59Å
105	E	95.8	Very high	96.8	Very high	89 Å²	89	70.4 Å²	70.4	42%	0.416	39%	0.39	S	S	.	.	I	π-helix	trans	-79.7	-33.1	-179.4	65	-168.7	152.3	0	0	113.6	N102 P110 L133 N135	N102-E105 WeakPolarHBondContact O-CG 3.46Å; N102-E105 PolarHBondContact O-N 3.19Å; E105-P110 WeakPolarHBondContact O-CD 3.33Å; E105-L133 PolarHBondContact N-O 2.92Å; E105-L133 VanDerWaalsContact N-O 3.1Å; E105-N135 WeakPolarHBondContact OE1-CB 3.48Å; E105-N135 PolarHBondContact OE1-N 3.1Å; E105-N135 VanDerWaalsContact OE1-N 3.07Å
106	W	96.9	Very high	96.7	Very high	183 Å²	183	69.1 Å²	69.1	69%	0.693	38%	0.376	S	S	*	.	I	π-helix	trans	-78.9	-34	-175.9	171.7	72.7	0	0	0	113.6	N102	N102-W106 VanDerWaalsContact O-CB 3.23Å; N102-W106 WeakPolarHBondContact O-CB 3.33Å; N102-W106 PolarHBondContact O-N 2.59Å
107	L	97.3	Very high	96.5	Very high	88 Å²	88	62.9 Å²	62.9	46%	0.461	36%	0.361	S	S	.	.	I	π-helix	trans	-126.1	-49.4	-173.4	-179.4	62.7	0	0	0	113.4	V103 P110 A111	V103-L107 HydrophobicContact CG2-CB 4.07Å; V103-L107 HydrophobicContact CG2-CD2 4.12Å; V103-L107 PolarHBondContact O-N 2.93Å; L107-P110 WeakPolarHBondContact O-CD 3.37Å; L107-A111 VanDerWaalsContact O-CB 3.28Å; L107-A111 WeakPolarHBondContact O-CB 3.41Å; L107-A111 PolarHBondContact O-N 3.42Å
108	I	97.3	Very high	96.4	Very high	43 Å²	43	64.4 Å²	64.4	22%	0.221	37%	0.365	C	S	.	.	I	π-helix	trans	-68	-49.6	-171	-60.1	177.7	0	0	0	110.9	I90 I94 V103 G104 A111 V112 L133	I90-I108 HydrophobicContact CG2-CD1 3.63Å; I90-I108 HydrophobicContact CG2-CG2 4.42Å; I94-I108 HydrophobicContact CD1-CD1 4.06Å; I94-I108 HydrophobicContact CG1-CD1 4.22Å; V103-I108 HydrophobicContact CG1-CD1 4.28Å; V103-I108 PolarHBondContact O-N 3.47Å; G104-I108 WeakPolarHBondContact O-CB 3.28Å; G104-I108 PolarHBondContact O-N 3.08Å; I108-A111 PolarHBondContact O-N 3.34Å; I108-V112 HydrophobicContact CG2-CG2 4.43Å; I108-V112 WeakPolarHBondContact O-CG2 3.44Å; I108-V112 PolarHBondContact O-N 3.48Å; I108-L133 HydrophobicContact CG2-CD1 4.02Å
109	L	96.7	Very high	96.3	Very high	27 Å²	27	66.6 Å²	66.6	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-46.4	178.5	-71	-177.5	0	0	0	112.5	G104 A111 V112 S113 V128 I131 L133	G104-L109 WeakPolarHBondContact O-CG 3.35Å; G104-L109 PolarHBondContact O-N 3.45Å; L109-A111 PolarHBondContact O-N 2.94Å; L109-V112 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-N 3.15Å; L109-V128 HydrophobicContact CB-CG1 4.19Å; L109-V128 HydrophobicContact CD1-CG1 4.45Å; L109-V128 HydrophobicContact CD2-CG1 4.13Å; L109-V128 HydrophobicContact CG-CG1 4.49Å; L109-I131 HydrophobicContact CD2-CB 4.46Å; L109-L133 HydrophobicContact CD1-CB 4.14Å; L109-L133 HydrophobicContact CD2-CB 4.32Å; L109-L133 HydrophobicContact CD2-CD1 3.87Å; L109-L133 HydrophobicContact CD2-CG 4.49Å; L109-L133 HydrophobicContact CG-CB 4.08Å; L109-L133 HydrophobicContact CG-CD1 4.21Å
110	P	97	Very high	96.1	Very high	58 Å²	58	67.3 Å²	67.3	38%	0.377	37%	0.366	S	S	.	.	H	α-helix	trans	-57.8	-44.4	171.9	-29.5	37.2	0	0	0	114	E105 L107 V112 S113 I114	E105-P110 WeakPolarHBondContact O-CD 3.33Å; L107-P110 WeakPolarHBondContact O-CD 3.37Å; P110-V112 PolarHBondContact O-N 3.01Å; P110-S113 WeakPolarHBondContact O-CB 3.32Å; P110-S113 PolarHBondContact O-N 3.4Å; P110-S113 VanDerWaalsContact O-N 3.15Å; P110-I114 WeakPolarHBondContact O-CG1 3.47Å; P110-I114 PolarHBondContact O-N 3.48Å
111	A	97.1	Very high	95.8	Very high	40 Å²	40	70.3 Å²	70.3	33%	0.331	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-43.6	179	0	0	0	0	0	112	L107 I108 L109 S113 I114 I115	L107-A111 VanDerWaalsContact O-CB 3.28Å; L107-A111 WeakPolarHBondContact O-CB 3.41Å; L107-A111 PolarHBondContact O-N 3.42Å; I108-A111 PolarHBondContact O-N 3.34Å; L109-A111 PolarHBondContact O-N 2.94Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 2.94Å; A111-I114 PolarHBondContact O-N 3.29Å; A111-I115 WeakPolarHBondContact O-CG1 3.28Å; A111-I115 PolarHBondContact O-N 2.9Å
112	V	95.8	Very high	95.4	Very high	41 Å²	41	71.9 Å²	71.9	25%	0.248	39%	0.389	C	S	.	.	H	α-helix	trans	-60.5	-42.1	173.7	170.7	0	0	0	0	110.7	I108 L109 P110 I114 I115 L116 V128	I108-V112 HydrophobicContact CG2-CG2 4.43Å; I108-V112 WeakPolarHBondContact O-CG2 3.44Å; I108-V112 PolarHBondContact O-N 3.48Å; L109-V112 PolarHBondContact O-N 3.23Å; P110-V112 PolarHBondContact O-N 3.01Å; V112-I114 PolarHBondContact O-N 2.83Å; V112-I115 PolarHBondContact O-N 2.95Å; V112-L116 HydrophobicContact CG1-CD1 3.72Å; V112-L116 HydrophobicContact CG1-CG 4.28Å; V112-L116 WeakPolarHBondContact O-CB 3.29Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.48Å; V112-L116 PolarHBondContact O-N 3.45Å; V112-V128 HydrophobicContact CG1-CG2 4.38Å
113	S	96.2	Very high	95	Very high	43 Å²	43	73.6 Å²	73.6	30%	0.301	40%	0.398	S	S	.	.	H	α-helix	trans	-60.6	-43.4	178.1	-167.9	0	0	0	0	112.7	L109 P110 A111 S117	L109-S113 PolarHBondContact O-N 3.15Å; P110-S113 WeakPolarHBondContact O-CB 3.32Å; P110-S113 PolarHBondContact O-N 3.4Å; P110-S113 VanDerWaalsContact O-N 3.15Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 2.94Å; S113-S117 VanDerWaalsContact O-CB 3.31Å; S113-S117 WeakPolarHBondContact O-CB 3.36Å; S113-S117 PolarHBondContact O-N 3.47Å; S113-S117 PolarHBondContact O-OG 3.07Å
114	I	96.2	Very high	94.7	Very high	98 Å²	98	73.2 Å²	73.2	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-48.6	178.2	-68.7	165.4	0	0	0	110.1	P110 A111 V112 L116 S117 D118	P110-I114 WeakPolarHBondContact O-CG1 3.47Å; P110-I114 PolarHBondContact O-N 3.48Å; A111-I114 PolarHBondContact O-N 3.29Å; V112-I114 PolarHBondContact O-N 2.83Å; I114-L116 PolarHBondContact O-N 2.85Å; I114-S117 PolarHBondContact O-N 2.96Å; I114-D118 VanDerWaalsContact O-CB 3.32Å; I114-D118 WeakPolarHBondContact O-CB 3.39Å; I114-D118 PolarHBondContact O-N 3.47Å
115	I	95.8	Very high	94.4	Very high	91 Å²	91	81 Å²	81	47%	0.467	43%	0.425	S	S	.	.	I	π-helix	trans	-60.2	-46.6	-179.8	-66.8	164.4	0	0	0	110.9	A111 V112 V119 M120	A111-I115 WeakPolarHBondContact O-CG1 3.28Å; A111-I115 PolarHBondContact O-N 2.9Å; V112-I115 PolarHBondContact O-N 2.95Å; I115-V119 WeakPolarHBondContact O-CA 3.37Å; I115-V119 VanDerWaalsContact O-CB 3.26Å; I115-V119 WeakPolarHBondContact O-CB 3.4Å; I115-V119 PolarHBondContact O-N 2.98Å; I115-V119 VanDerWaalsContact O-N 3.09Å; I115-M120 PolarHBondContact O-N 3.46Å; I115-M120 VanDerWaalsContact O-N 3.07Å
116	L	94.5	Very high	93.9	Very high	21 Å²	21	81.2 Å²	81.2	11%	0.11	43%	0.429	C	S	.	.	I	π-helix	trans	-64.5	-43	-179.6	-71.1	174	0	0	0	112	V112 I114 M120 T121 L122 A124 T127	V112-L116 HydrophobicContact CG1-CD1 3.72Å; V112-L116 HydrophobicContact CG1-CG 4.28Å; V112-L116 WeakPolarHBondContact O-CB 3.29Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.48Å; V112-L116 PolarHBondContact O-N 3.45Å; I114-L116 PolarHBondContact O-N 2.85Å; L116-M120 HydrophobicContact CD2-SD 3.77Å; L116-M120 CarbonylContact O-C 3.55Å; L116-M120 WeakPolarHBondContact O-CB 3.44Å; L116-T121 PolarHBondContact O-N 3.46Å; L116-T121 VanDerWaalsContact O-N 3.08Å; L116-L122 HydrophobicContact CD2-CD1 4.2Å; L116-L122 PolarHBondContact O-N 2.85Å; L116-A124 HydrophobicContact CB-CB 3.8Å; L116-A124 HydrophobicContact CD1-CB 4.14Å; L116-T127 HydrophobicContact CD1-CG2 3.64Å
117	S	94	Very high	93.5	Very high	49 Å²	49	75.4 Å²	75.4	34%	0.343	41%	0.414	S	S	.	.	I	π-helix	trans	-76.3	-47.9	-175.8	-51.4	0	0	0	0	112.3	S113 I114 T121 A124	S113-S117 VanDerWaalsContact O-CB 3.31Å; S113-S117 WeakPolarHBondContact O-CB 3.36Å; S113-S117 PolarHBondContact O-N 3.47Å; S113-S117 PolarHBondContact O-OG 3.07Å; I114-S117 PolarHBondContact O-N 2.96Å; S117-T121 WeakPolarHBondContact O-CA 3.24Å; S117-T121 PolarHBondContact O-N 3.03Å; S117-A124 WeakPolarHBondContact OG-CB 3.46Å
118	D	94.6	Very high	93.2	Very high	123 Å²	123	72.8 Å²	72.8	66%	0.658	40%	0.402	S	S	*	.	I	π-helix	trans	-92	-36.5	-167.9	-62.9	-0.2	0	0	0	112.4	I114	I114-D118 VanDerWaalsContact O-CB 3.32Å; I114-D118 WeakPolarHBondContact O-CB 3.39Å; I114-D118 PolarHBondContact O-N 3.47Å
119	V	94	Very high	92.9	Very high	114 Å²	114	77 Å²	77	69%	0.691	42%	0.421	S	S	*	.	I	π-helix	trans	-92.6	-45.9	-177.8	-175.8	0	0	0	0	110.9	I115	I115-V119 WeakPolarHBondContact O-CA 3.37Å; I115-V119 VanDerWaalsContact O-CB 3.26Å; I115-V119 WeakPolarHBondContact O-CB 3.4Å; I115-V119 PolarHBondContact O-N 2.98Å; I115-V119 VanDerWaalsContact O-N 3.09Å
120	M	93	Very high	92.6	Very high	99 Å²	99	76.9 Å²	76.9	49%	0.488	42%	0.423	S	S	.	.	S	Bend	trans	-94.5	-11.3	-174.3	-55.4	-172.9	70.6	0	0	113.3	I115 L116 L122	I115-M120 PolarHBondContact O-N 3.46Å; I115-M120 VanDerWaalsContact O-N 3.07Å; L116-M120 HydrophobicContact CD2-SD 3.77Å; L116-M120 CarbonylContact O-C 3.55Å; L116-M120 WeakPolarHBondContact O-CB 3.44Å; M120-L122 HydrophobicContact CB-CB 4.38Å; M120-L122 HydrophobicContact CB-CD1 3.88Å; M120-L122 HydrophobicContact CB-CG 3.8Å; M120-L122 HydrophobicContact CE-CD1 3.83Å; M120-L122 PolarHBondContact O-N 2.64Å; M120-L122 HydrophobicContact SD-CD1 4.29Å
121	T	91.1	Very high	92.4	Very high	124 Å²	124	75.2 Å²	75.2	76%	0.761	41%	0.411	S	S	*	.			trans	54.7	30.8	-175.3	63.1	0	0	0	0	113.3	L116 S117	L116-T121 PolarHBondContact O-N 3.46Å; L116-T121 VanDerWaalsContact O-N 3.08Å; S117-T121 WeakPolarHBondContact O-CA 3.24Å; S117-T121 PolarHBondContact O-N 3.03Å
122	L	89.6	Confident	92.3	Very high	93 Å²	93	75.6 Å²	75.6	49%	0.487	41%	0.41	S	S	.	.			trans	-99.2	152.7	179.6	-63.5	179	0	0	0	110.9	L116 M120 A124	L116-L122 HydrophobicContact CD2-CD1 4.2Å; L116-L122 PolarHBondContact O-N 2.85Å; M120-L122 HydrophobicContact CB-CB 4.38Å; M120-L122 HydrophobicContact CB-CD1 3.88Å; M120-L122 HydrophobicContact CB-CG 3.8Å; M120-L122 HydrophobicContact CE-CD1 3.83Å; M120-L122 PolarHBondContact O-N 2.64Å; M120-L122 HydrophobicContact SD-CD1 4.29Å; L122-A124 PolarHBondContact O-N 3Å
123	N	89	Confident	92.3	Very high	108 Å²	108	73.7 Å²	73.7	58%	0.578	40%	0.398	S	S	*	.			trans	-68.5	105.6	169.5	-178.3	4.5	0	0	0	109.9	R125	N123-R125 VanDerWaalsContact C-N 3.3Å; N123-R125 PolarHBondContact O-N 3.09Å; N123-R125 VanDerWaalsContact OD1-CB 3.3Å; N123-R125 WeakPolarHBondContact OD1-CB 3.39Å; N123-R125 PolarHBondContact OD1-N 3.28Å
124	A	90.2	Very high	92.4	Very high	5 Å²	5	73.8 Å²	73.8	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-70.1	-24.2	-179.3	0	0	0	0	0	113.8	L116 S117 L122 D126 T127 V128	L116-A124 HydrophobicContact CB-CB 3.8Å; L116-A124 HydrophobicContact CD1-CB 4.14Å; S117-A124 WeakPolarHBondContact OG-CB 3.46Å; L122-A124 PolarHBondContact O-N 3Å; A124-D126 PolarHBondContact O-N 3.32Å; A124-T127 PolarHBondContact O-N 3.08Å; A124-V128 HydrophobicContact CB-CG2 4.38Å; A124-V128 WeakPolarHBondContact O-CB 3.32Å; A124-V128 WeakPolarHBondContact O-CG2 3.24Å; A124-V128 PolarHBondContact O-N 3.37Å
125	R	90.5	Very high	92.4	Very high	164 Å²	164	72.1 Å²	72.1	62%	0.619	39%	0.391	S	S	*	.	H	α-helix	trans	-56.4	-51.3	-168.2	-176.2	-178.9	179.3	177.3	0.9	112.2	N123 T127 V128 Q129	N123-R125 VanDerWaalsContact C-N 3.3Å; N123-R125 PolarHBondContact O-N 3.09Å; N123-R125 VanDerWaalsContact OD1-CB 3.3Å; N123-R125 WeakPolarHBondContact OD1-CB 3.39Å; N123-R125 PolarHBondContact OD1-N 3.28Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 3.21Å; R125-V128 PolarHBondContact O-N 2.91Å; R125-Q129 WeakPolarHBondContact O-CB 3.27Å; R125-Q129 VanDerWaalsContact O-CG 3.25Å; R125-Q129 WeakPolarHBondContact O-CG 3.41Å; R125-Q129 PolarHBondContact O-N 2.84Å
126	D	85.9	Confident	92.5	Very high	93 Å²	93	72.3 Å²	72.3	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-35.8	-175.6	-57.9	-25.1	0	0	0	111	A124 A130	A124-D126 PolarHBondContact O-N 3.32Å; D126-A130 VanDerWaalsContact O-CB 3.26Å; D126-A130 WeakPolarHBondContact O-CB 3.43Å; D126-A130 PolarHBondContact O-N 2.92Å
127	T	87.2	Confident	92.6	Very high	62 Å²	62	72.4 Å²	72.4	38%	0.38	40%	0.401	S	S	.	.	H	α-helix	trans	-70.6	-46	178.8	-55.8	0	0	0	0	111.7	L116 A124 R125 Q129 A130 I131	L116-T127 HydrophobicContact CD1-CG2 3.64Å; A124-T127 PolarHBondContact O-N 3.08Å; R125-T127 VanDerWaalsContact C-N 3.3Å; R125-T127 PolarHBondContact O-N 3.21Å; T127-Q129 VanDerWaalsContact C-N 3.34Å; T127-Q129 PolarHBondContact O-N 3.37Å; T127-A130 PolarHBondContact O-N 2.9Å; T127-I131 HydrophobicContact CG2-CD1 4.34Å; T127-I131 WeakPolarHBondContact O-CG1 3.17Å; T127-I131 PolarHBondContact O-N 3.26Å
128	V	92	Very high	92.8	Very high	33 Å²	33	70.1 Å²	70.1	20%	0.2	39%	0.385	C	S	.	.	H	α-helix	trans	-64.1	-40.9	178.3	170.2	0	0	0	0	110.6	L109 V112 A124 R125 A130 I131	L109-V128 HydrophobicContact CB-CG1 4.19Å; L109-V128 HydrophobicContact CD1-CG1 4.45Å; L109-V128 HydrophobicContact CD2-CG1 4.13Å; L109-V128 HydrophobicContact CG-CG1 4.49Å; V112-V128 HydrophobicContact CG1-CG2 4.38Å; A124-V128 HydrophobicContact CB-CG2 4.38Å; A124-V128 WeakPolarHBondContact O-CB 3.32Å; A124-V128 WeakPolarHBondContact O-CG2 3.24Å; A124-V128 PolarHBondContact O-N 3.37Å; R125-V128 PolarHBondContact O-N 2.91Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.38Å; V128-I131 PolarHBondContact O-N 3.28Å
129	Q	90.9	Very high	92.9	Very high	132 Å²	132	66 Å²	66	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-69.3	-29.1	176.8	-72.4	-175.1	-4.2	0	0	113.2	R125 T127 I131	R125-Q129 WeakPolarHBondContact O-CB 3.27Å; R125-Q129 VanDerWaalsContact O-CG 3.25Å; R125-Q129 WeakPolarHBondContact O-CG 3.41Å; R125-Q129 PolarHBondContact O-N 2.84Å; T127-Q129 VanDerWaalsContact C-N 3.34Å; T127-Q129 PolarHBondContact O-N 3.37Å; Q129-I131 VanDerWaalsContact C-N 3.31Å; Q129-I131 PolarHBondContact O-N 2.95Å
130	A	89.9	Confident	93.1	Very high	23 Å²	23	65.9 Å²	65.9	19%	0.19	35%	0.353	C	S	.	.	H	α-helix	trans	-72	-21.8	178.7	0	0	0	0	0	113.6	G83 D126 T127 V128 P132	G83-A130 CarbonylContact C-O 3.2Å; G83-A130 VanDerWaalsContact CA-O 3.24Å; G83-A130 WeakPolarHBondContact CA-O 3.27Å; D126-A130 VanDerWaalsContact O-CB 3.26Å; D126-A130 WeakPolarHBondContact O-CB 3.43Å; D126-A130 PolarHBondContact O-N 2.92Å; T127-A130 PolarHBondContact O-N 2.9Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.38Å; A130-P132 WeakPolarHBondContact O-CD 3.5Å
131	I	93.7	Very high	93.4	Very high	24 Å²	24	61.4 Å²	61.4	12%	0.123	33%	0.33	C	S	.	.	S	Bend	trans	-104.6	97.1	-175.8	-50.9	169.5	0	0	0	109.8	A86 I90 L109 T127 V128 Q129 L133	A86-I131 HydrophobicContact CB-CG1 4.43Å; A86-I131 HydrophobicContact CB-CG2 4.24Å; I90-I131 HydrophobicContact CD1-CG2 4.26Å; L109-I131 HydrophobicContact CD2-CB 4.46Å; T127-I131 HydrophobicContact CG2-CD1 4.34Å; T127-I131 WeakPolarHBondContact O-CG1 3.17Å; T127-I131 PolarHBondContact O-N 3.26Å; V128-I131 PolarHBondContact O-N 3.28Å; Q129-I131 VanDerWaalsContact C-N 3.31Å; Q129-I131 PolarHBondContact O-N 2.95Å; I131-L133 HydrophobicContact CG2-CD1 3.79Å; I131-L133 HydrophobicContact CG2-CG 3.88Å; I131-L133 PolarHBondContact O-N 3.46Å; I131-L133 VanDerWaalsContact O-N 3.08Å
132	P	94.2	Very high	93.7	Very high	47 Å²	47	56.9 Å²	56.9	31%	0.305	30%	0.301	S	S	.	.			trans	-75.9	105.9	-175.1	33	-38.4	0	0	0	110.5	S87 A130 T137	S87-P132 WeakPolarHBondContact CB-O 3.35Å; S87-P132 PolarHBondContact OG-O 2.91Å; A130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-T137 HydrophobicContact CB-CG2 4.05Å; P132-T137 HydrophobicContact CG-CG2 4.29Å; P132-T137 WeakPolarHBondContact O-CG2 3.48Å
133	L	96.7	Very high	94.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.299	C	S	.	.			trans	-126	26.3	-177.2	-73.2	173.4	0	0	0	113.6	I90 G104 E105 I108 L109 I131 V138	I90-L133 HydrophobicContact CB-CD1 4.48Å; I90-L133 HydrophobicContact CB-CD2 3.96Å; I90-L133 HydrophobicContact CD1-CD1 3.8Å; I90-L133 HydrophobicContact CG2-CD1 3.96Å; I90-L133 HydrophobicContact CG2-CD2 3.66Å; I90-L133 HydrophobicContact CG2-CG 4.5Å; G104-L133 CarbonylContact C-O 3.59Å; E105-L133 PolarHBondContact N-O 2.92Å; E105-L133 VanDerWaalsContact N-O 3.1Å; I108-L133 HydrophobicContact CG2-CD1 4.02Å; L109-L133 HydrophobicContact CD1-CB 4.14Å; L109-L133 HydrophobicContact CD2-CB 4.32Å; L109-L133 HydrophobicContact CD2-CD1 3.87Å; L109-L133 HydrophobicContact CD2-CG 4.49Å; L109-L133 HydrophobicContact CG-CB 4.08Å; L109-L133 HydrophobicContact CG-CD1 4.21Å; I131-L133 HydrophobicContact CG2-CD1 3.79Å; I131-L133 HydrophobicContact CG2-CG 3.88Å; I131-L133 PolarHBondContact O-N 3.46Å; I131-L133 VanDerWaalsContact O-N 3.08Å; L133-V138 HydrophobicContact CB-CG2 4.45Å; L133-V138 HydrophobicContact CD2-CG2 3.97Å
134	S	96.5	Very high	94.5	Very high	44 Å²	44	54.4 Å²	54.4	31%	0.308	29%	0.286	S	S	.	.			trans	-61.1	155.8	172	66	0	0	0	0	111.6	C136 T137 V138	S134-C136 PolarHBondContact O-N 3.22Å; S134-C136 VanDerWaalsContact O-N 3.16Å; S134-T137 PolarHBondContact O-N 2.93Å; S134-T137 WeakPolarHBondContact OG-CB 3.38Å; S134-T137 PolarHBondContact OG-N 2.98Å; S134-T137 PolarHBondContact OG-OG1 3.1Å; S134-V138 PolarHBondContact O-N 3.38Å
135	N	97.7	Very high	94.8	Very high	64 Å²	64	56.2 Å²	56.2	34%	0.342	29%	0.294	S	S	.	.	H	α-helix	trans	-47.4	-46.2	177.2	-179.2	75.5	0	0	0	112.8	H101 N102 E105 C139	H101-N135 WeakPolarHBondContact CB-OD1 3.31Å; N102-N135 HydrophobicContact CB-CB 4.14Å; N102-N135 PolarHBondContact N-OD1 3.25Å; E105-N135 WeakPolarHBondContact OE1-CB 3.48Å; E105-N135 PolarHBondContact OE1-N 3.1Å; E105-N135 VanDerWaalsContact OE1-N 3.07Å; N135-C139 WeakPolarHBondContact O-CB 3.46Å; N135-C139 PolarHBondContact O-N 2.73Å
136	C	97.2	Very high	95.2	Very high	95 Å²	95	51.1 Å²	51.1	64%	0.642	29%	0.287	S	S	*	.	H	α-helix	trans	-67.5	-37.4	178.6	-57.5	0	0	0	0	112.8	S134 R140	S134-C136 PolarHBondContact O-N 3.22Å; S134-C136 VanDerWaalsContact O-N 3.16Å; C136-R140 WeakPolarHBondContact O-CB 3.33Å; C136-R140 PolarHBondContact O-N 3.37Å
137	T	96.6	Very high	95.7	Very high	23 Å²	23	51.7 Å²	51.7	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-43	179.8	-59	0	0	0	0	111.2	P132 S134 R141	P132-T137 HydrophobicContact CB-CG2 4.05Å; P132-T137 HydrophobicContact CG-CG2 4.29Å; P132-T137 WeakPolarHBondContact O-CG2 3.48Å; S134-T137 PolarHBondContact O-N 2.93Å; S134-T137 WeakPolarHBondContact OG-CB 3.38Å; S134-T137 PolarHBondContact OG-N 2.98Å; S134-T137 PolarHBondContact OG-OG1 3.1Å; T137-R141 HydrophobicContact CG2-CG 4.45Å; T137-R141 WeakPolarHBondContact O-CB 3.48Å; T137-R141 WeakPolarHBondContact O-CD 3.45Å; T137-R141 VanDerWaalsContact O-CG 3.27Å; T137-R141 WeakPolarHBondContact O-CG 3.24Å; T137-R141 PolarHBondContact O-N 3.03Å; T137-R141 VanDerWaalsContact O-N 3.08Å
138	V	98	Very high	96.1	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-47.1	177.5	173.2	0	0	0	0	110.1	I94 H101 L133 S134 R141 I142	I94-V138 HydrophobicContact CB-CG1 4.4Å; I94-V138 HydrophobicContact CD1-CG1 3.73Å; I94-V138 HydrophobicContact CD1-CG2 4.05Å; I94-V138 HydrophobicContact CG2-CG1 4.08Å; H101-V138 HydrophobicContact CB-CB 4.14Å; H101-V138 HydrophobicContact CB-CG1 3.96Å; L133-V138 HydrophobicContact CB-CG2 4.45Å; L133-V138 HydrophobicContact CD2-CG2 3.97Å; S134-V138 PolarHBondContact O-N 3.38Å; V138-R141 PolarHBondContact O-N 2.97Å; V138-I142 HydrophobicContact CG1-CD1 3.8Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.4Å; V138-I142 PolarHBondContact O-N 3.21Å; V138-I142 VanDerWaalsContact O-N 3.09Å
139	C	98	Very high	96.3	Very high	38 Å²	38	55.9 Å²	55.9	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-53.7	-57.4	175.4	-167.1	0	0	0	0	111.4	H101 N135 R141 I142 D143	H101-C139 VanDerWaalsContact CE1-SG 3.56Å; H101-C139 WeakPolarHBondContact ND1-CB 3.38Å; N135-C139 WeakPolarHBondContact O-CB 3.46Å; N135-C139 PolarHBondContact O-N 2.73Å; C139-R141 VanDerWaalsContact C-N 3.29Å; C139-R141 PolarHBondContact O-N 2.98Å; C139-I142 WeakPolarHBondContact O-CA 3.38Å; C139-I142 WeakPolarHBondContact O-CB 3.47Å; C139-I142 PolarHBondContact O-N 3.1Å; C139-D143 VanDerWaalsContact O-CG 3.32Å; C139-D143 PolarHBondContact O-N 3.42Å
140	R	98.1	Very high	96.4	Very high	111 Å²	111	55 Å²	55	42%	0.419	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-42.1	-177.5	-177.9	179.6	59	74.4	6.5	112.6	C136 I142 D143 E144	C136-R140 WeakPolarHBondContact O-CB 3.33Å; C136-R140 PolarHBondContact O-N 3.37Å; R140-I142 VanDerWaalsContact C-N 3.34Å; R140-D143 PolarHBondContact O-N 3.06Å; R140-E144 HydrophobicContact CG-CG 4.35Å; R140-E144 WeakPolarHBondContact CG-OE1 3.4Å; R140-E144 IonicContact CZ-OE1 3.71Å; R140-E144 IonicContact CZ-OE2 3.86Å; R140-E144 IonicContact NH1-OE1 2.64Å; R140-E144 PolarHBondContact NH1-OE1 3.13Å; R140-E144 IonicContact NH1-OE2 2.85Å; R140-E144 PolarHBondContact NH1-OE2 3.4Å; R140-E144 WeakPolarHBondContact O-CB 3.28Å; R140-E144 VanDerWaalsContact O-CG 3.24Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 3.3Å
141	R	97.5	Very high	96.7	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-67.5	-35.9	179.4	-72.4	166.5	-179.9	-109.8	4.2	112.2	T84 S87 Y88 T137 V138 C139 M145	T84-R141 PolarHBondContact O-NH1 3.46Å; S87-R141 VanDerWaalsContact OG-CD 3.28Å; S87-R141 WeakPolarHBondContact OG-CD 3.48Å; S87-R141 PolarHBondContact OG-NE 3.27Å; S87-R141 PolarHBondContact OG-NH1 3.23Å; S87-R141 PolarHBondContact OG-NH2 3.34Å; Y88-R141 HydrophobicContact CD1-CB 4Å; Y88-R141 HydrophobicContact CD1-CG 4.01Å; Y88-R141 HydrophobicContact CE1-CB 4.01Å; Y88-R141 HydrophobicContact CE1-CG 3.84Å; Y88-R141 HydrophobicContact CG-CG 4.48Å; T137-R141 HydrophobicContact CG2-CG 4.45Å; T137-R141 WeakPolarHBondContact O-CB 3.48Å; T137-R141 WeakPolarHBondContact O-CD 3.45Å; T137-R141 VanDerWaalsContact O-CG 3.27Å; T137-R141 WeakPolarHBondContact O-CG 3.24Å; T137-R141 PolarHBondContact O-N 3.03Å; T137-R141 VanDerWaalsContact O-N 3.08Å; V138-R141 PolarHBondContact O-N 2.97Å; C139-R141 VanDerWaalsContact C-N 3.29Å; C139-R141 PolarHBondContact O-N 2.98Å; R141-M145 WeakPolarHBondContact O-CB 3.47Å; R141-M145 VanDerWaalsContact O-CE 3.24Å; R141-M145 WeakPolarHBondContact O-CE 3.46Å; R141-M145 VanDerWaalsContact O-CG 3.27Å; R141-M145 WeakPolarHBondContact O-CG 3.37Å; R141-M145 PolarHBondContact O-N 2.9Å
142	I	98.1	Very high	96.7	Very high	28 Å²	28	62.9 Å²	62.9	14%	0.144	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-46	174.5	-67.2	170.4	0	0	0	109.3	I94 A95 V138 C139 R140 E144 M145 A146	I94-I142 HydrophobicContact CG2-CD1 4.46Å; A95-I142 HydrophobicContact CB-CD1 3.91Å; A95-I142 HydrophobicContact CB-CG1 3.96Å; A95-I142 HydrophobicContact CB-CG2 4.1Å; V138-I142 HydrophobicContact CG1-CD1 3.8Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.4Å; V138-I142 PolarHBondContact O-N 3.21Å; V138-I142 VanDerWaalsContact O-N 3.09Å; C139-I142 WeakPolarHBondContact O-CA 3.38Å; C139-I142 WeakPolarHBondContact O-CB 3.47Å; C139-I142 PolarHBondContact O-N 3.1Å; R140-I142 VanDerWaalsContact C-N 3.34Å; I142-E144 PolarHBondContact O-N 2.9Å; I142-M145 HydrophobicContact CG1-CE 4.42Å; I142-M145 PolarHBondContact O-N 3.44Å; I142-A146 WeakPolarHBondContact O-CB 3.31Å; I142-A146 PolarHBondContact O-N 2.78Å
143	D	97.5	Very high	96.5	Very high	83 Å²	83	64.3 Å²	64.3	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-45.8	177	-59.2	-31.7	0	0	0	111.4	C139 R140 M145 A146 L147	C139-D143 VanDerWaalsContact O-CG 3.32Å; C139-D143 PolarHBondContact O-N 3.42Å; R140-D143 PolarHBondContact O-N 3.06Å; D143-M145 PolarHBondContact O-N 3.46Å; D143-A146 PolarHBondContact O-N 3.02Å; D143-L147 WeakPolarHBondContact O-CB 3.47Å; D143-L147 VanDerWaalsContact O-CG 3.29Å; D143-L147 WeakPolarHBondContact O-CG 3.45Å; D143-L147 PolarHBondContact O-N 3.43Å
144	E	97.5	Very high	96.3	Very high	67 Å²	67	66.4 Å²	66.4	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-45	176.4	-76.3	166.3	169.9	0	0	112.2	Y88 R140 I142 D148	Y88-E144 PolarHBondContact OH-OE2 3.46Å; R140-E144 HydrophobicContact CG-CG 4.35Å; R140-E144 WeakPolarHBondContact CG-OE1 3.4Å; R140-E144 IonicContact CZ-OE1 3.71Å; R140-E144 IonicContact CZ-OE2 3.86Å; R140-E144 IonicContact NH1-OE1 2.64Å; R140-E144 PolarHBondContact NH1-OE1 3.13Å; R140-E144 IonicContact NH1-OE2 2.85Å; R140-E144 PolarHBondContact NH1-OE2 3.4Å; R140-E144 WeakPolarHBondContact O-CB 3.28Å; R140-E144 VanDerWaalsContact O-CG 3.24Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 3.3Å; I142-E144 PolarHBondContact O-N 2.9Å; E144-D148 WeakPolarHBondContact O-CB 3.29Å; E144-D148 PolarHBondContact O-N 3.46Å
145	M	97.7	Very high	96.1	Very high	43 Å²	43	67.4 Å²	67.4	21%	0.212	36%	0.362	C	S	.	.	H	α-helix	trans	-67.8	-35	176	-73.4	-175.8	-67.9	0	0	112.4	Y88 K92 R141 I142 D143 V149	Y88-M145 HydrophobicContact CD1-CG 4.13Å; Y88-M145 HydrophobicContact CD1-SD 4.17Å; Y88-M145 HydrophobicContact CE1-CG 4.42Å; K92-M145 HydrophobicContact CB-CE 4Å; K92-M145 HydrophobicContact CB-SD 3.94Å; K92-M145 HydrophobicContact CG-SD 4.44Å; R141-M145 WeakPolarHBondContact O-CB 3.47Å; R141-M145 VanDerWaalsContact O-CE 3.24Å; R141-M145 WeakPolarHBondContact O-CE 3.46Å; R141-M145 VanDerWaalsContact O-CG 3.27Å; R141-M145 WeakPolarHBondContact O-CG 3.37Å; R141-M145 PolarHBondContact O-N 2.9Å; I142-M145 HydrophobicContact CG1-CE 4.42Å; I142-M145 PolarHBondContact O-N 3.44Å; D143-M145 PolarHBondContact O-N 3.46Å; M145-V149 WeakPolarHBondContact O-CG2 3.46Å; M145-V149 PolarHBondContact O-N 2.87Å; M145-V149 VanDerWaalsContact O-N 3.09Å
146	A	97.4	Very high	95.7	Very high	56 Å²	56	66.8 Å²	66.8	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-45.4	177	0	0	0	0	0	111.1	I142 D143 D148 V149 E150	I142-A146 WeakPolarHBondContact O-CB 3.31Å; I142-A146 PolarHBondContact O-N 2.78Å; D143-A146 PolarHBondContact O-N 3.02Å; A146-D148 VanDerWaalsContact C-N 3.35Å; A146-D148 PolarHBondContact O-N 2.96Å; A146-V149 PolarHBondContact O-N 2.88Å; A146-E150 WeakPolarHBondContact O-CB 3.43Å; A146-E150 PolarHBondContact O-N 3.33Å
147	L	97.3	Very high	95.4	Very high	106 Å²	106	63.9 Å²	63.9	56%	0.555	34%	0.336	S	S	*	.	H	α-helix	trans	-61.8	-40.4	175.5	-71.3	170.5	0	0	0	112.2	D143 E150 D151	D143-L147 WeakPolarHBondContact O-CB 3.47Å; D143-L147 VanDerWaalsContact O-CG 3.29Å; D143-L147 WeakPolarHBondContact O-CG 3.45Å; D143-L147 PolarHBondContact O-N 3.43Å; L147-E150 PolarHBondContact O-N 3.48Å; L147-D151 WeakPolarHBondContact O-CB 3.44Å; L147-D151 PolarHBondContact O-N 2.89Å
148	D	96.4	Very high	95.1	Very high	90 Å²	90	72.2 Å²	72.2	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-44.6	175.2	175	58.8	0	0	0	112	E144 A146 D151 Q152	E144-D148 WeakPolarHBondContact O-CB 3.29Å; E144-D148 PolarHBondContact O-N 3.46Å; A146-D148 VanDerWaalsContact C-N 3.35Å; A146-D148 PolarHBondContact O-N 2.96Å; D148-D151 PolarHBondContact O-N 3.15Å; D148-Q152 WeakPolarHBondContact O-CB 3.5Å; D148-Q152 VanDerWaalsContact O-CG 3.29Å; D148-Q152 WeakPolarHBondContact O-CG 3.41Å; D148-Q152 PolarHBondContact O-N 3.5Å; D148-Q152 VanDerWaalsContact O-N 3.07Å; D148-Q152 PolarHBondContact O-NE2 3.21Å; D148-Q152 PolarHBondContact OD1-NE2 3.33Å; D148-Q152 PolarHBondContact OD2-NE2 3.04Å
149	V	94.7	Very high	94.8	Very high	92 Å²	92	78.7 Å²	78.7	56%	0.558	40%	0.399	S	S	*	.	H	α-helix	trans	-63.6	-42.1	175.2	170.2	0	0	0	0	111.1	M145 A146 F153	M145-V149 WeakPolarHBondContact O-CG2 3.46Å; M145-V149 PolarHBondContact O-N 2.87Å; M145-V149 VanDerWaalsContact O-N 3.09Å; A146-V149 PolarHBondContact O-N 2.88Å; V149-F153 VanDerWaalsContact O-CB 3.26Å; V149-F153 WeakPolarHBondContact O-CB 3.43Å; V149-F153 PolarHBondContact O-N 2.84Å
150	E	94.7	Very high	94.3	Very high	115 Å²	115	81 Å²	81	54%	0.537	40%	0.404	S	S	.	.	H	α-helix	trans	-62.2	-47.4	177	-174.4	-177.6	178.2	0	0	111.7	A146 L147 Q152 F153 V154	A146-E150 WeakPolarHBondContact O-CB 3.43Å; A146-E150 PolarHBondContact O-N 3.33Å; L147-E150 PolarHBondContact O-N 3.48Å; E150-Q152 PolarHBondContact O-N 2.85Å; E150-F153 CarbonylContact O-C 3.59Å; E150-F153 WeakPolarHBondContact O-CB 3.26Å; E150-F153 PolarHBondContact O-N 2.93Å; E150-F153 VanDerWaalsContact O-N 3.15Å; E150-V154 HydrophobicContact CG-CG2 4.29Å; E150-V154 WeakPolarHBondContact O-CB 3.19Å; E150-V154 VanDerWaalsContact O-CG2 3.31Å; E150-V154 WeakPolarHBondContact O-CG2 3.34Å; E150-V154 PolarHBondContact O-N 3.09Å
151	D	95.3	Very high	93.9	Very high	100 Å²	100	85.1 Å²	85.1	54%	0.535	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-43	-179.9	-175.7	68.9	0	0	0	112.1	L147 D148 F153 V154 T155	L147-D151 WeakPolarHBondContact O-CB 3.44Å; L147-D151 PolarHBondContact O-N 2.89Å; D148-D151 PolarHBondContact O-N 3.15Å; D151-F153 VanDerWaalsContact C-N 3.3Å; D151-F153 PolarHBondContact O-N 3Å; D151-V154 PolarHBondContact O-N 3.07Å; D151-T155 VanDerWaalsContact O-CB 3.28Å; D151-T155 WeakPolarHBondContact O-CB 3.38Å; D151-T155 PolarHBondContact O-N 2.92Å; D151-T155 PolarHBondContact O-OG1 3.07Å
152	Q	93.5	Very high	93.6	Very high	112 Å²	112	87.9 Å²	87.9	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-60.2	-42.6	173.3	-72.9	175.1	50.3	0	0	111.3	D148 E150 L156	D148-Q152 WeakPolarHBondContact O-CB 3.5Å; D148-Q152 VanDerWaalsContact O-CG 3.29Å; D148-Q152 WeakPolarHBondContact O-CG 3.41Å; D148-Q152 PolarHBondContact O-N 3.5Å; D148-Q152 VanDerWaalsContact O-N 3.07Å; D148-Q152 PolarHBondContact O-NE2 3.21Å; D148-Q152 PolarHBondContact OD1-NE2 3.33Å; D148-Q152 PolarHBondContact OD2-NE2 3.04Å; E150-Q152 PolarHBondContact O-N 2.85Å; Q152-L156 WeakPolarHBondContact O-CB 3.33Å; Q152-L156 PolarHBondContact O-N 3.46Å
153	F	91.3	Very high	93.3	Very high	76 Å²	76	89.8 Å²	89.8	33%	0.333	46%	0.461	S	S	.	.	H	α-helix	trans	-67	-47	179	-175.2	-118.5	0	0	0	112.1	V149 E150 D151 T155 L156 L157 V182 F184	V149-F153 VanDerWaalsContact O-CB 3.26Å; V149-F153 WeakPolarHBondContact O-CB 3.43Å; V149-F153 PolarHBondContact O-N 2.84Å; E150-F153 CarbonylContact O-C 3.59Å; E150-F153 WeakPolarHBondContact O-CB 3.26Å; E150-F153 PolarHBondContact O-N 2.93Å; E150-F153 VanDerWaalsContact O-N 3.15Å; D151-F153 VanDerWaalsContact C-N 3.3Å; D151-F153 PolarHBondContact O-N 3Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.16Å; F153-L156 WeakPolarHBondContact O-CB 3.4Å; F153-L156 PolarHBondContact O-N 2.88Å; F153-L156 VanDerWaalsContact O-N 3.13Å; F153-L157 HydrophobicContact CD1-CD1 3.92Å; F153-L157 HydrophobicContact CD1-CG 4.43Å; F153-L157 HydrophobicContact CE1-CD1 3.49Å; F153-L157 VanDerWaalsContact CE1-CD1 3.49Å; F153-L157 HydrophobicContact CE1-CG 4.17Å; F153-L157 HydrophobicContact CE2-CD1 4.4Å; F153-L157 HydrophobicContact CE2-CD2 4.17Å; F153-L157 HydrophobicContact CE2-CG 4.23Å; F153-L157 HydrophobicContact CZ-CD1 3.77Å; F153-L157 HydrophobicContact CZ-CD2 4.07Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CG 3.28Å; F153-L157 PolarHBondContact O-N 2.91Å; F153-V182 HydrophobicContact CE1-CB 4.46Å; F153-V182 HydrophobicContact CE1-CG2 4.44Å; F153-V182 HydrophobicContact CZ-CB 4.02Å; F153-V182 HydrophobicContact CZ-CG1 4.34Å; F153-V182 HydrophobicContact CZ-CG2 4.48Å; F153-F184 AromaticContact CE2-CE1 3.77Å; F153-F184 HydrophobicContact CE2-CE1 3.77Å; F153-F184 HydrophobicContact CE2-CZ 4.37Å; F153-F184 HydrophobicContact CZ-CE1 4.5Å
154	V	91.5	Very high	93	Very high	47 Å²	47	91.5 Å²	91.5	29%	0.285	47%	0.47	S	S	.	.	H	α-helix	trans	-60.2	-42.9	176.3	169.4	0	0	0	0	110.8	E150 D151 L156 L157 R158	E150-V154 HydrophobicContact CG-CG2 4.29Å; E150-V154 WeakPolarHBondContact O-CB 3.19Å; E150-V154 VanDerWaalsContact O-CG2 3.31Å; E150-V154 WeakPolarHBondContact O-CG2 3.34Å; E150-V154 PolarHBondContact O-N 3.09Å; D151-V154 PolarHBondContact O-N 3.07Å; V154-L156 VanDerWaalsContact C-N 3.32Å; V154-L156 PolarHBondContact O-N 3.44Å; V154-L157 PolarHBondContact O-N 3.17Å; V154-R158 WeakPolarHBondContact O-CG 3.12Å; V154-R158 PolarHBondContact O-N 3.2Å
155	T	92.3	Very high	92.9	Very high	64 Å²	64	92.9 Å²	92.9	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-43	175.4	-65.1	0	0	0	0	111.4	D151 F153 R158 L159	D151-T155 VanDerWaalsContact O-CB 3.28Å; D151-T155 WeakPolarHBondContact O-CB 3.38Å; D151-T155 PolarHBondContact O-N 2.92Å; D151-T155 PolarHBondContact O-OG1 3.07Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.16Å; T155-R158 PolarHBondContact O-N 3.24Å; T155-L159 WeakPolarHBondContact O-CG 3.27Å
156	L	90.2	Very high	92.7	Very high	51 Å²	51	94.2 Å²	94.2	27%	0.267	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-45.8	175.8	-179.8	63.9	0	0	0	112	Q152 F153 V154 R158 L159 K160 F184	Q152-L156 WeakPolarHBondContact O-CB 3.33Å; Q152-L156 PolarHBondContact O-N 3.46Å; F153-L156 WeakPolarHBondContact O-CB 3.4Å; F153-L156 PolarHBondContact O-N 2.88Å; F153-L156 VanDerWaalsContact O-N 3.13Å; V154-L156 VanDerWaalsContact C-N 3.32Å; V154-L156 PolarHBondContact O-N 3.44Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 2.89Å; L156-L159 PolarHBondContact O-N 3.13Å; L156-L159 VanDerWaalsContact O-N 3.1Å; L156-K160 HydrophobicContact CD1-CG 4.24Å; L156-K160 WeakPolarHBondContact O-CG 3.23Å; L156-K160 PolarHBondContact O-N 3.14Å; L156-F184 HydrophobicContact CD2-CE2 3.51Å; L156-F184 HydrophobicContact CD2-CZ 3.54Å; L156-F184 HydrophobicContact CG-CE2 4.03Å; L156-F184 HydrophobicContact CG-CZ 4.41Å
157	L	90.3	Very high	92.6	Very high	34 Å²	34	95 Å²	95	18%	0.178	48%	0.483	C	S	.	.	H	α-helix	trans	-64.3	-35.3	-179.9	-68.5	-177.4	0	0	0	112.7	F153 V154 L159 K160 V182 F184	F153-L157 HydrophobicContact CD1-CD1 3.92Å; F153-L157 HydrophobicContact CD1-CG 4.43Å; F153-L157 HydrophobicContact CE1-CD1 3.49Å; F153-L157 VanDerWaalsContact CE1-CD1 3.49Å; F153-L157 HydrophobicContact CE1-CG 4.17Å; F153-L157 HydrophobicContact CE2-CD1 4.4Å; F153-L157 HydrophobicContact CE2-CD2 4.17Å; F153-L157 HydrophobicContact CE2-CG 4.23Å; F153-L157 HydrophobicContact CZ-CD1 3.77Å; F153-L157 HydrophobicContact CZ-CD2 4.07Å; F153-L157 HydrophobicContact CZ-CG 4.07Å; F153-L157 WeakPolarHBondContact O-CG 3.28Å; F153-L157 PolarHBondContact O-N 2.91Å; V154-L157 PolarHBondContact O-N 3.17Å; L157-L159 PolarHBondContact O-N 3.17Å; L157-K160 PolarHBondContact O-N 3.23Å; L157-V182 HydrophobicContact CD1-CB 4.43Å; L157-V182 HydrophobicContact CD1-CG1 3.79Å; L157-V182 HydrophobicContact CD1-CG2 4.28Å; L157-V182 HydrophobicContact CD2-CG1 3.43Å; L157-V182 VanDerWaalsContact CD2-CG1 3.43Å; L157-V182 HydrophobicContact CG-CG1 4.26Å; L157-F184 HydrophobicContact CD2-CB 4.47Å; L157-F184 HydrophobicContact CD2-CD1 3.9Å; L157-F184 HydrophobicContact CD2-CE1 4.43Å; L157-F184 HydrophobicContact CD2-CG 4.2Å
158	R	90.9	Very high	92.4	Very high	198 Å²	198	95.6 Å²	95.6	75%	0.747	48%	0.483	S	S	*	.	H	α-helix	trans	-61.5	-24.8	174.6	-74.5	174.4	178.3	169.6	2.5	113.2	V154 T155 L156	V154-R158 WeakPolarHBondContact O-CG 3.12Å; V154-R158 PolarHBondContact O-N 3.2Å; T155-R158 PolarHBondContact O-N 3.24Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 2.89Å
159	L	90.6	Very high	92.2	Very high	137 Å²	137	94.5 Å²	94.5	72%	0.717	48%	0.48	S	S	*	.	H	α-helix	trans	-95	-10	-178.6	-62	174.3	0	0	0	113.5	T155 L156 L157	T155-L159 WeakPolarHBondContact O-CG 3.27Å; L156-L159 PolarHBondContact O-N 3.13Å; L156-L159 VanDerWaalsContact O-N 3.1Å; L157-L159 PolarHBondContact O-N 3.17Å
160	K	88.7	Confident	92.1	Very high	85 Å²	85	95.2 Å²	95.2	37%	0.37	48%	0.484	S	S	.	.	S	Bend	trans	-121	152.1	-172.1	-63.1	-64.6	-175.6	178.5	0	110.8	L156 L157 S162 F184	L156-K160 HydrophobicContact CD1-CG 4.24Å; L156-K160 WeakPolarHBondContact O-CG 3.23Å; L156-K160 PolarHBondContact O-N 3.14Å; L157-K160 PolarHBondContact O-N 3.23Å; K160-S162 PolarHBondContact O-N 3.27Å; K160-F184 HydrophobicContact CB-CB 4.48Å; K160-F184 HydrophobicContact CG-CD2 4.34Å
161	K	89.7	Confident	91.9	Very high	199 Å²	199	94.1 Å²	94.1	87%	0.865	48%	0.482	S	S	*	.			trans	-75.2	122.5	162.1	-69.8	-175.9	177.7	-178.3	0	107.7
162	S	89.9	Confident	91.4	Very high	62 Å²	62	98.6 Å²	98.6	43%	0.434	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.1	178.1	57.2	0	0	0	0	110.7	K160 R183	K160-S162 PolarHBondContact O-N 3.27Å; S162-R183 CarbonylContact C-O 3.47Å; S162-R183 WeakPolarHBondContact CA-O 3.36Å; S162-R183 WeakPolarHBondContact CB-O 3.36Å
163	S	91.9	Very high	91	Very high	68 Å²	68	99.7 Å²	99.7	48%	0.476	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.1	167.4	59.1	0	0	0	0	109.3	V182 R183	S163-V182 WeakPolarHBondContact O-CA 3.22Å; S163-R183 PolarHBondContact N-O 2.87Å; S163-R183 PolarHBondContact O-N 3.47Å
164	L	92.4	Very high	90.6	Very high	119 Å²	119	103.5 Å²	103.5	62%	0.623	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.5	176.6	-175.6	71.5	0	0	0	108.6	V166 A180 Y181 V182	L164-V166 HydrophobicContact CD2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.29Å; L164-A180 HydrophobicContact CD1-CB 4.05Å; L164-Y181 WeakPolarHBondContact CA-O 3.39Å; L164-V182 HydrophobicContact CD1-CG2 3.65Å
165	Q	94.1	Very high	90.5	Very high	97 Å²	97	106 Å²	106	45%	0.453	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.8	167.7	179.3	175.9	-16.9	0	0	108.3	A180 Y181	Q165-A180 CarbonylContact O-C 3.58Å; Q165-A180 WeakPolarHBondContact O-CA 3.46Å; Q165-Y181 PolarHBondContact N-O 3.07Å; Q165-Y181 PolarHBondContact O-N 3.09Å
166	V	94	Very high	90.4	Very high	71 Å²	71	106.1 Å²	106.1	43%	0.43	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.8	178	169.8	0	0	0	0	107.9	L164 F178 M179	L164-V166 HydrophobicContact CD2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.29Å; V166-F178 HydrophobicContact CB-CZ 4.22Å; V166-F178 HydrophobicContact CG1-CD1 4.43Å; V166-F178 HydrophobicContact CG1-CD2 3.89Å; V166-F178 HydrophobicContact CG1-CE1 3.73Å; V166-F178 HydrophobicContact CG1-CE2 3.09Å; V166-F178 HydrophobicContact CG1-CZ 3.02Å; V166-F178 HydrophobicContact CG2-CE1 4.46Å; V166-F178 HydrophobicContact CG2-CZ 4.18Å; V166-M179 CarbonylContact C-O 3.57Å; V166-M179 WeakPolarHBondContact CA-O 3.36Å
167	D	94.2	Very high	90.4	Very high	71 Å²	71	107.7 Å²	107.7	38%	0.38	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	138.3	177.3	-171.5	42.8	0	0	0	110.1	M179 Y181	D167-M179 PolarHBondContact N-O 2.84Å; D167-M179 PolarHBondContact O-N 3.07Å; D167-Y181 HydrophobicContact CB-CE2 4.26Å
168	E	93.9	Very high	90.5	Very high	120 Å²	120	112.5 Å²	112.5	56%	0.561	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.7	120.7	178.4	-173.4	177.9	-176.5	0	0	109.4	S176 L177 F178	E168-S176 VanDerWaalsContact OE1-CB 3.24Å; E168-S176 WeakPolarHBondContact OE1-CB 3.18Å; E168-S176 PolarHBondContact OE1-OG 3.03Å; E168-L177 WeakPolarHBondContact CA-O 3.44Å; E168-F178 HydrophobicContact CB-CD2 4.33Å
169	T	93.2	Very high	90.6	Very high	67 Å²	67	106.8 Å²	106.8	41%	0.411	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.9	127.2	178.4	-65.8	0	0	0	0	110.3	S176 L177	T169-S176 CarbonylContact O-C 3.45Å; T169-S176 WeakPolarHBondContact O-CA 3.45Å; T169-L177 PolarHBondContact N-O 2.88Å; T169-L177 PolarHBondContact O-N 3.17Å
170	T	91.4	Very high	90.7	Very high	106 Å²	106	103.3 Å²	103.3	65%	0.65	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.2	175.5	-41.5	0	0	0	0	110.9
171	L	91.1	Very high	90.8	Very high	92 Å²	92	103.4 Å²	103.4	48%	0.482	55%	0.548	S	S	.	.			trans	-91.7	168.8	174	-60.9	175.4	0	0	0	110.7	D173 D175	L171-D173 PolarHBondContact O-N 3.41Å; L171-D173 VanDerWaalsContact O-N 3.14Å; L171-D175 HydrophobicContact CB-CB 4.27Å; L171-D175 WeakPolarHBondContact CB-O 3.28Å; L171-D175 HydrophobicContact CD1-CB 4.19Å; L171-D175 PolarHBondContact N-O 2.8Å
172	Q	84.4	Confident	91	Very high	195 Å²	195	94.9 Å²	94.9	91%	0.911	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.1	-173.2	-68.7	-177.9	-9.1	0	0	114.3
173	D	85.1	Confident	91.1	Very high	134 Å²	134	96.2 Å²	96.2	72%	0.717	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	25	-172.5	-64.8	-38.1	0	0	0	114.1	L171 D175	L171-D173 PolarHBondContact O-N 3.41Å; L171-D173 VanDerWaalsContact O-N 3.14Å; D173-D175 PolarHBondContact O-N 3.11Å
174	N	82.9	Confident	91.1	Very high	156 Å²	156	93.4 Å²	93.4	83%	0.834	49%	0.487	S	S	*	.	S	Bend	trans	62.7	6.7	-169.6	-66.4	-32.1	0	0	0	115.2
175	D	89.5	Confident	91	Very high	101 Å²	101	95.3 Å²	95.3	54%	0.54	49%	0.486	S	S	.	.			trans	-74.6	145.3	168.5	-69.8	-27.1	0	0	0	110.1	L171 D173	L171-D175 HydrophobicContact CB-CB 4.27Å; L171-D175 WeakPolarHBondContact CB-O 3.28Å; L171-D175 HydrophobicContact CD1-CB 4.19Å; L171-D175 PolarHBondContact N-O 2.8Å; D173-D175 PolarHBondContact O-N 3.11Å
176	S	89.5	Confident	90.6	Very high	65 Å²	65	93.3 Å²	93.3	46%	0.455	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.9	169.4	68.8	0	0	0	0	111.1	E168 T169	E168-S176 VanDerWaalsContact OE1-CB 3.24Å; E168-S176 WeakPolarHBondContact OE1-CB 3.18Å; E168-S176 PolarHBondContact OE1-OG 3.03Å; T169-S176 CarbonylContact O-C 3.45Å; T169-S176 WeakPolarHBondContact O-CA 3.45Å
177	L	91.2	Very high	90.3	Very high	84 Å²	84	93.9 Å²	93.9	44%	0.44	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.5	173.8	-178.1	69.2	0	0	0	108.5	E168 T169 M179	E168-L177 WeakPolarHBondContact CA-O 3.44Å; T169-L177 PolarHBondContact N-O 2.88Å; T169-L177 PolarHBondContact O-N 3.17Å; L177-M179 HydrophobicContact CD2-CG 4.09Å; L177-M179 HydrophobicContact CD2-SD 3.86Å; L177-M179 HydrophobicContact CG-CG 3.99Å; L177-M179 HydrophobicContact CG-SD 4.43Å
178	F	92.6	Very high	89.9	Confident	136 Å²	136	97.7 Å²	97.7	60%	0.596	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.6	176	-170.9	-95.7	0	0	0	109.8	V166 E168	V166-F178 HydrophobicContact CB-CZ 4.22Å; V166-F178 HydrophobicContact CG1-CD1 4.43Å; V166-F178 HydrophobicContact CG1-CD2 3.89Å; V166-F178 HydrophobicContact CG1-CE1 3.73Å; V166-F178 HydrophobicContact CG1-CE2 3.09Å; V166-F178 HydrophobicContact CG1-CZ 3.02Å; V166-F178 HydrophobicContact CG2-CE1 4.46Å; V166-F178 HydrophobicContact CG2-CZ 4.18Å; E168-F178 HydrophobicContact CB-CD2 4.33Å
179	M	92.7	Very high	89.7	Confident	78 Å²	78	96 Å²	96	38%	0.384	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138	179.9	-65.5	-172.8	71.9	0	0	110.8	V166 D167 L177 Y181	V166-M179 CarbonylContact C-O 3.57Å; V166-M179 WeakPolarHBondContact CA-O 3.36Å; D167-M179 PolarHBondContact N-O 2.84Å; D167-M179 PolarHBondContact O-N 3.07Å; L177-M179 HydrophobicContact CD2-CG 4.09Å; L177-M179 HydrophobicContact CD2-SD 3.86Å; L177-M179 HydrophobicContact CG-CG 3.99Å; L177-M179 HydrophobicContact CG-SD 4.43Å; M179-Y181 HydrophobicContact CB-CE2 3.78Å; M179-Y181 HydrophobicContact CE-CE1 4.12Å; M179-Y181 VanDerWaalsContact CE-OH 3.22Å; M179-Y181 WeakPolarHBondContact CE-OH 3.34Å; M179-Y181 PolarHBondContact SD-OH 2.91Å; M179-Y181 VanDerWaalsContact SD-OH 3.37Å
180	A	92.1	Very high	89.5	Confident	63 Å²	63	96.8 Å²	96.8	52%	0.521	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.8	174.4	0	0	0	0	0	109.4	L164 Q165	L164-A180 HydrophobicContact CD1-CB 4.05Å; Q165-A180 CarbonylContact O-C 3.58Å; Q165-A180 WeakPolarHBondContact O-CA 3.46Å
181	Y	91.9	Very high	89.3	Confident	87 Å²	87	95.3 Å²	95.3	34%	0.341	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.2	176.8	-59	-88.8	0	0	0	109.2	L164 Q165 D167 M179	L164-Y181 WeakPolarHBondContact CA-O 3.39Å; Q165-Y181 PolarHBondContact N-O 3.07Å; Q165-Y181 PolarHBondContact O-N 3.09Å; D167-Y181 HydrophobicContact CB-CE2 4.26Å; M179-Y181 HydrophobicContact CB-CE2 3.78Å; M179-Y181 HydrophobicContact CE-CE1 4.12Å; M179-Y181 VanDerWaalsContact CE-OH 3.22Å; M179-Y181 WeakPolarHBondContact CE-OH 3.34Å; M179-Y181 PolarHBondContact SD-OH 2.91Å; M179-Y181 VanDerWaalsContact SD-OH 3.37Å
182	V	92.1	Very high	88.9	Confident	21 Å²	21	97.7 Å²	97.7	13%	0.127	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.1	179.2	-177.1	0	0	0	0	109.3	F153 L157 S163 L164	F153-V182 HydrophobicContact CE1-CB 4.46Å; F153-V182 HydrophobicContact CE1-CG2 4.44Å; F153-V182 HydrophobicContact CZ-CB 4.02Å; F153-V182 HydrophobicContact CZ-CG1 4.34Å; F153-V182 HydrophobicContact CZ-CG2 4.48Å; L157-V182 HydrophobicContact CD1-CB 4.43Å; L157-V182 HydrophobicContact CD1-CG1 3.79Å; L157-V182 HydrophobicContact CD1-CG2 4.28Å; L157-V182 HydrophobicContact CD2-CG1 3.43Å; L157-V182 VanDerWaalsContact CD2-CG1 3.43Å; L157-V182 HydrophobicContact CG-CG1 4.26Å; S163-V182 WeakPolarHBondContact O-CA 3.22Å; L164-V182 HydrophobicContact CD1-CG2 3.65Å
183	R	92.9	Very high	89.1	Confident	90 Å²	90	92.8 Å²	92.8	34%	0.34	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.4	175.5	-53.5	-175.2	169.8	166.2	-16.9	111	S162 S163 L190 M191 E192	S162-R183 CarbonylContact C-O 3.47Å; S162-R183 WeakPolarHBondContact CA-O 3.36Å; S162-R183 WeakPolarHBondContact CB-O 3.36Å; S163-R183 PolarHBondContact N-O 2.87Å; S163-R183 PolarHBondContact O-N 3.47Å; R183-L190 HydrophobicContact CB-CD1 4.45Å; R183-M191 VanDerWaalsContact CA-O 3.28Å; R183-M191 WeakPolarHBondContact CA-O 3.42Å; R183-E192 HydrophobicContact CG-CB 4.35Å; R183-E192 HydrophobicContact CG-CG 3.89Å; R183-E192 IonicContact CZ-OE1 3.13Å; R183-E192 IonicContact CZ-OE2 3.38Å; R183-E192 IonicContact NE-OE1 2.91Å; R183-E192 PolarHBondContact NE-OE1 2.86Å; R183-E192 IonicContact NE-OE2 3.09Å; R183-E192 PolarHBondContact NE-OE2 3.18Å; R183-E192 VanDerWaalsContact NE-OE2 3.09Å; R183-E192 VanDerWaalsContact NH2-CD 3.32Å; R183-E192 IonicContact NH2-OE1 3.07Å; R183-E192 PolarHBondContact NH2-OE1 2.77Å; R183-E192 VanDerWaalsContact NH2-OE1 3.07Å; R183-E192 IonicContact NH2-OE2 2.84Å; R183-E192 PolarHBondContact NH2-OE2 3.14Å
184	F	91.3	Very high	89.3	Confident	9 Å²	9	90.6 Å²	90.6	4%	0.039	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.4	177	67.8	-78.5	0	0	0	111.7	F153 L156 L157 K160 N186 M191	F153-F184 AromaticContact CE2-CE1 3.77Å; F153-F184 HydrophobicContact CE2-CE1 3.77Å; F153-F184 HydrophobicContact CE2-CZ 4.37Å; F153-F184 HydrophobicContact CZ-CE1 4.5Å; L156-F184 HydrophobicContact CD2-CE2 3.51Å; L156-F184 HydrophobicContact CD2-CZ 3.54Å; L156-F184 HydrophobicContact CG-CE2 4.03Å; L156-F184 HydrophobicContact CG-CZ 4.41Å; L157-F184 HydrophobicContact CD2-CB 4.47Å; L157-F184 HydrophobicContact CD2-CD1 3.9Å; L157-F184 HydrophobicContact CD2-CE1 4.43Å; L157-F184 HydrophobicContact CD2-CG 4.2Å; K160-F184 HydrophobicContact CB-CB 4.48Å; K160-F184 HydrophobicContact CG-CD2 4.34Å; F184-N186 HydrophobicContact CD2-CB 4.36Å; F184-N186 HydrophobicContact CE2-CB 3.86Å; F184-M191 HydrophobicContact CD1-CB 4.2Å; F184-M191 HydrophobicContact CE1-CB 3.67Å; F184-M191 HydrophobicContact CE2-CB 4.21Å; F184-M191 HydrophobicContact CE2-CG 4.48Å; F184-M191 HydrophobicContact CE2-SD 3.99Å; F184-M191 HydrophobicContact CZ-CB 3.68Å; F184-M191 HydrophobicContact CZ-CG 4.2Å; F184-M191 HydrophobicContact CZ-SD 3.7Å; F184-M191 PolarHBondContact N-O 2.89Å; F184-M191 PolarHBondContact O-N 2.78Å
185	W	90.3	Very high	89.6	Confident	158 Å²	158	87 Å²	87	60%	0.598	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.7	174	-77.6	92	0	0	0	110.8
186	N	87.1	Confident	89.7	Confident	56 Å²	56	86.2 Å²	86.2	30%	0.299	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.9	169.6	-167.1	5.8	0	0	0	110.2	F184 N188 T189 M191	F184-N186 HydrophobicContact CD2-CB 4.36Å; F184-N186 HydrophobicContact CE2-CB 3.86Å; N186-N188 PolarHBondContact O-N 2.88Å; N186-T189 PolarHBondContact N-O 2.83Å; N186-T189 PolarHBondContact O-N 3.37Å; N186-M191 HydrophobicContact CB-CE 3.9Å; N186-M191 HydrophobicContact CB-CG 3.99Å; N186-M191 HydrophobicContact CB-SD 3.48Å; N186-M191 WeakPolarHBondContact CB-SD 3.24Å; N186-M191 WeakPolarHBondContact ND2-CE 3.49Å; N186-M191 PolarHBondContact ND2-SD 2.78Å; N186-M191 VanDerWaalsContact ND2-SD 3.38Å
187	A	86	Confident	89.7	Confident	82 Å²	82	87.5 Å²	87.5	68%	0.678	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	-101.7	-166.6	0	0	0	0	0	111.1
188	N	87.1	Confident	89.6	Confident	151 Å²	151	87.7 Å²	87.7	81%	0.807	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	18.3	179	-64	-26.2	0	0	0	112.6	N186	N186-N188 PolarHBondContact O-N 2.88Å
189	T	89.8	Confident	89.3	Confident	85 Å²	85	84.3 Å²	84.3	52%	0.521	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	179.8	-53.4	0	0	0	0	109	N186 M191	N186-T189 PolarHBondContact N-O 2.83Å; N186-T189 PolarHBondContact O-N 3.37Å; T189-M191 PolarHBondContact O-N 2.89Å
190	L	88.1	Confident	89.1	Confident	84 Å²	84	84.8 Å²	84.8	44%	0.44	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121	167.3	-175.2	67.7	0	0	0	107.9	R183	R183-L190 HydrophobicContact CB-CD1 4.45Å
191	M	88.4	Confident	88.8	Confident	74 Å²	74	86.6 Å²	86.6	37%	0.365	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.2	175.4	-65.9	-170.1	160.8	0	0	109.3	R183 F184 N186 T189	R183-M191 VanDerWaalsContact CA-O 3.28Å; R183-M191 WeakPolarHBondContact CA-O 3.42Å; F184-M191 HydrophobicContact CD1-CB 4.2Å; F184-M191 HydrophobicContact CE1-CB 3.67Å; F184-M191 HydrophobicContact CE2-CB 4.21Å; F184-M191 HydrophobicContact CE2-CG 4.48Å; F184-M191 HydrophobicContact CE2-SD 3.99Å; F184-M191 HydrophobicContact CZ-CB 3.68Å; F184-M191 HydrophobicContact CZ-CG 4.2Å; F184-M191 HydrophobicContact CZ-SD 3.7Å; F184-M191 PolarHBondContact N-O 2.89Å; F184-M191 PolarHBondContact O-N 2.78Å; N186-M191 HydrophobicContact CB-CE 3.9Å; N186-M191 HydrophobicContact CB-CG 3.99Å; N186-M191 HydrophobicContact CB-SD 3.48Å; N186-M191 WeakPolarHBondContact CB-SD 3.24Å; N186-M191 WeakPolarHBondContact ND2-CE 3.49Å; N186-M191 PolarHBondContact ND2-SD 2.78Å; N186-M191 VanDerWaalsContact ND2-SD 3.38Å; T189-M191 PolarHBondContact O-N 2.89Å
192	E	80.9	Confident	88.6	Confident	142 Å²	142	86.5 Å²	86.5	66%	0.664	44%	0.444	S	S	*	.			trans	-125.8	0	173.8	-49	-160.9	175	0	0	110.1	R183	R183-E192 HydrophobicContact CG-CB 4.35Å; R183-E192 HydrophobicContact CG-CG 3.89Å; R183-E192 IonicContact CZ-OE1 3.13Å; R183-E192 IonicContact CZ-OE2 3.38Å; R183-E192 IonicContact NE-OE1 2.91Å; R183-E192 PolarHBondContact NE-OE1 2.86Å; R183-E192 IonicContact NE-OE2 3.09Å; R183-E192 PolarHBondContact NE-OE2 3.18Å; R183-E192 VanDerWaalsContact NE-OE2 3.09Å; R183-E192 VanDerWaalsContact NH2-CD 3.32Å; R183-E192 IonicContact NH2-OE1 3.07Å; R183-E192 PolarHBondContact NH2-OE1 2.77Å; R183-E192 VanDerWaalsContact NH2-OE1 3.07Å; R183-E192 IonicContact NH2-OE2 2.84Å; R183-E192 PolarHBondContact NH2-OE2 3.14Å

Retrieved 192 of 192 residues in 35.2 ms (Link to these results)

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