G4LVE3_SCHMA Loading...

MSP domain-containing protein

AlphaFold DB , UniProt , Accession G4LVE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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	40.4	Very low	73.6	Confident	233 Å²	233	84.3 Å²	84.3	100%	1.148	46%	0.456	S	S	*	.				0	115.8	0	-85.7	172.2	162.6	0	0	107.6	L3	M1-L3 PolarHBondContact O-N 3.05Å
2	S	43.6	Very low	75	Confident	126 Å²	126	87 Å²	87	88%	0.881	46%	0.46	S	S	*	.			trans	-69.7	101.9	170.2	59.5	0	0	0	0	107.6	D4	S2-D4 PolarHBondContact O-N 3.28Å
3	L	60.9	Low	76.1	Confident	130 Å²	130	84.4 Å²	84.4	68%	0.681	45%	0.451	S	S	*	.			trans	-67.5	118.7	172	-77.2	150.6	0	0	0	107.2	M1 P5 E8	M1-L3 PolarHBondContact O-N 3.05Å; L3-P5 WeakPolarHBondContact O-CD 3.34Å; L3-E8 VanDerWaalsContact CB-OE1 3.31Å; L3-E8 WeakPolarHBondContact CB-OE1 3.03Å
4	D	72.3	Confident	76.7	Confident	74 Å²	74	80.9 Å²	80.9	40%	0.396	44%	0.437	S	S	.	.			trans	-66	113.5	171.8	177.3	-6	0	0	0	107.6	S2 S6 K7	S2-D4 PolarHBondContact O-N 3.28Å; D4-S6 PolarHBondContact O-N 2.68Å; D4-S6 WeakPolarHBondContact OD1-CB 3.31Å; D4-S6 PolarHBondContact OD1-N 3.06Å; D4-S6 VanDerWaalsContact OD1-N 3.11Å; D4-S6 PolarHBondContact OD1-OG 3.11Å; D4-S6 PolarHBondContact OD2-OG 3.16Å; D4-S6 VanDerWaalsContact OD2-OG 3.06Å; D4-K7 HydrophobicContact CB-CD 4.22Å; D4-K7 HydrophobicContact CB-CG 4.19Å; D4-K7 WeakPolarHBondContact O-CB 3.46Å; D4-K7 PolarHBondContact O-N 3.31Å
5	P	75.3	Confident	77.4	Confident	50 Å²	50	78.5 Å²	78.5	33%	0.325	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-60.1	-23.5	-174	24.5	-33.9	0	0	0	112	L3 K7 E8 F100 C101	L3-P5 WeakPolarHBondContact O-CD 3.34Å; P5-K7 PolarHBondContact O-N 2.91Å; P5-E8 PolarHBondContact O-N 2.88Å; P5-E8 VanDerWaalsContact O-N 3.16Å; P5-F100 HydrophobicContact CB-CD1 4.28Å; P5-F100 HydrophobicContact CB-CD2 4.46Å; P5-F100 HydrophobicContact CB-CE1 3.78Å; P5-F100 HydrophobicContact CB-CE2 3.99Å; P5-F100 HydrophobicContact CB-CZ 3.62Å; P5-F100 WeakPolarHBondContact O-CE1 3.36Å; P5-C101 HydrophobicContact CB-CB 4.4Å
6	S	73.2	Confident	78	Confident	52 Å²	52	73.8 Å²	73.8	36%	0.364	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.6	-23.9	175.4	72.7	0	0	0	0	113.5	D4 V9	D4-S6 PolarHBondContact O-N 2.68Å; D4-S6 WeakPolarHBondContact OD1-CB 3.31Å; D4-S6 PolarHBondContact OD1-N 3.06Å; D4-S6 VanDerWaalsContact OD1-N 3.11Å; D4-S6 PolarHBondContact OD1-OG 3.11Å; D4-S6 PolarHBondContact OD2-OG 3.16Å; D4-S6 VanDerWaalsContact OD2-OG 3.06Å; S6-V9 VanDerWaalsContact O-O 3.11Å
7	K	82	Confident	78.4	Confident	161 Å²	161	71.6 Å²	71.6	70%	0.7	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-83.6	-16.5	176.2	-62.6	-176	-177.6	179.2	0	112.9	D4 P5 V9	D4-K7 HydrophobicContact CB-CD 4.22Å; D4-K7 HydrophobicContact CB-CG 4.19Å; D4-K7 WeakPolarHBondContact O-CB 3.46Å; D4-K7 PolarHBondContact O-N 3.31Å; P5-K7 PolarHBondContact O-N 2.91Å; K7-V9 PolarHBondContact O-N 3.05Å
8	E	88.4	Confident	78.7	Confident	35 Å²	35	67.6 Å²	67.6	16%	0.164	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-82.7	-2.3	177.9	-59	-168.9	-172.8	0	0	112.8	L3 P5 K36 S37 F100	L3-E8 VanDerWaalsContact CB-OE1 3.31Å; L3-E8 WeakPolarHBondContact CB-OE1 3.03Å; P5-E8 PolarHBondContact O-N 2.88Å; P5-E8 VanDerWaalsContact O-N 3.16Å; E8-K36 CarbonylContact O-C 3.52Å; E8-K36 VanDerWaalsContact O-CA 3.25Å; E8-K36 WeakPolarHBondContact O-CA 3.42Å; E8-K36 VanDerWaalsContact O-CB 3.3Å; E8-K36 WeakPolarHBondContact O-CB 3.42Å; E8-K36 PolarHBondContact O-N 2.79Å; E8-S37 PolarHBondContact O-N 2.93Å; E8-S37 WeakPolarHBondContact OE2-CB 3.37Å; E8-F100 HydrophobicContact CB-CE1 4.18Å; E8-F100 HydrophobicContact CB-CZ 4Å; E8-F100 HydrophobicContact CG-CZ 4.46Å; E8-F100 WeakPolarHBondContact OE2-CZ 3.35Å
9	V	90.8	Very high	78.6	Confident	10 Å²	10	68.2 Å²	68.2	6%	0.061	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.1	173.3	179.7	0	0	0	0	108.9	S6 K7 V11 V34 L41 F91 F100	S6-V9 VanDerWaalsContact O-O 3.11Å; K7-V9 PolarHBondContact O-N 3.05Å; V9-V11 HydrophobicContact CG1-CG2 4.24Å; V9-V34 WeakPolarHBondContact CA-O 3.4Å; V9-L41 HydrophobicContact CG2-CD1 3.59Å; V9-F91 HydrophobicContact CG1-CD1 4.17Å; V9-F91 HydrophobicContact CG1-CD2 4.28Å; V9-F91 HydrophobicContact CG1-CE1 3.6Å; V9-F91 HydrophobicContact CG1-CE2 3.72Å; V9-F91 HydrophobicContact CG1-CG 4.49Å; V9-F91 HydrophobicContact CG1-CZ 3.36Å; V9-F91 HydrophobicContact CG2-CD1 4.24Å; V9-F91 HydrophobicContact CG2-CE1 4.46Å; V9-F91 HydrophobicContact CG2-CG 4.34Å; V9-F100 HydrophobicContact CG2-CD1 4.34Å; V9-F100 HydrophobicContact CG2-CE1 4.02Å
10	L	90.6	Very high	78.3	Confident	53 Å²	53	69.1 Å²	69.1	28%	0.277	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.5	174.8	177.4	71.1	0	0	0	109.4	K12 I33 V34 K36	L10-K12 HydrophobicContact CD1-CG 3.91Å; L10-K12 HydrophobicContact CG-CG 4.17Å; L10-I33 CarbonylContact O-C 3.48Å; L10-I33 WeakPolarHBondContact O-CA 3.3Å; L10-V34 HydrophobicContact CB-CB 4.14Å; L10-V34 HydrophobicContact CB-CG2 4.44Å; L10-V34 HydrophobicContact CD2-CG2 4.32Å; L10-V34 PolarHBondContact N-O 3.48Å; L10-V34 PolarHBondContact O-N 2.87Å; L10-K36 HydrophobicContact CB-CD 4.43Å
11	V	91.6	Very high	77.8	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.3	172.1	177.9	0	0	0	0	108	V9 V31 L32 I33 I89 F91 H103 I105	V9-V11 HydrophobicContact CG1-CG2 4.24Å; V11-V31 HydrophobicContact CG1-CG1 3.9Å; V11-L32 CarbonylContact C-O 3.59Å; V11-L32 VanDerWaalsContact CA-O 3.31Å; V11-L32 WeakPolarHBondContact CA-O 3.25Å; V11-I33 HydrophobicContact CG2-CG1 4.44Å; V11-I33 HydrophobicContact CG2-CG2 4.35Å; V11-I89 HydrophobicContact CG1-CD1 3.67Å; V11-I89 HydrophobicContact CG2-CD1 4.11Å; V11-F91 HydrophobicContact CG2-CE2 4.39Å; V11-F91 HydrophobicContact CG2-CZ 4.13Å; V11-H103 HydrophobicContact CB-CB 4.45Å; V11-H103 VanDerWaalsContact CB-CD2 3.45Å; V11-H103 WeakPolarHBondContact CB-CD2 3.28Å; V11-H103 HydrophobicContact CG2-CB 4Å; V11-I105 HydrophobicContact CG1-CD1 3.73Å; V11-I105 HydrophobicContact CG1-CG1 4.1Å
12	K	90.5	Very high	79.1	Confident	117 Å²	117	63.7 Å²	63.7	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.6	178.8	-72.6	-65.9	-176.6	-179.5	0	111.3	L10 V31 L32	L10-K12 HydrophobicContact CD1-CG 3.91Å; L10-K12 HydrophobicContact CG-CG 4.17Å; K12-V31 CarbonylContact O-C 3.55Å; K12-V31 WeakPolarHBondContact O-CA 3.14Å; K12-L32 PolarHBondContact N-O 3.02Å; K12-L32 PolarHBondContact O-N 2.96Å
13	P	89.8	Confident	80.2	Confident	53 Å²	53	65.7 Å²	65.7	34%	0.344	34%	0.342	S	S	.	.			cis	-74.6	159.2	-8.8	34.4	-37.7	0	0	0	112	N15 I16 Q30	P13-N15 WeakPolarHBondContact CB-O 3.22Å; P13-I16 HydrophobicContact CG-CG2 3.67Å; P13-Q30 VanDerWaalsContact CD-O 3.23Å; P13-Q30 WeakPolarHBondContact CD-O 3.31Å
14	S	85.1	Confident	80.4	Confident	36 Å²	36	61.1 Å²	61.1	25%	0.252	33%	0.326	S	S	.	.	S	Bend	trans	-86.4	-12.4	174.6	-51.7	0	0	0	0	112.7	I105 C106	S14-I105 VanDerWaalsContact O-CA 3.27Å; S14-I105 WeakPolarHBondContact O-CA 3.29Å; S14-C106 PolarHBondContact O-N 2.85Å
15	N	85.9	Confident	80.3	Confident	45 Å²	45	61.3 Å²	61.3	24%	0.241	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.1	173.8	-65.9	-46	0	0	0	108.2	P13 F17 C106	P13-N15 WeakPolarHBondContact CB-O 3.22Å; N15-F17 HydrophobicContact CB-CE2 3.97Å; N15-F17 HydrophobicContact CB-CZ 4.4Å; N15-C106 CarbonylContact C-O 3.56Å; N15-C106 WeakPolarHBondContact CA-O 3.41Å; N15-C106 WeakPolarHBondContact OD1-CB 3.45Å
16	I	87.5	Confident	80.3	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.5	175.9	60.9	-176.9	0	0	0	110	P13 F18 C29 V31 I72 F87 I105 C106 S107 T108	P13-I16 HydrophobicContact CG-CG2 3.67Å; I16-F18 HydrophobicContact CB-CE2 4.44Å; I16-F18 HydrophobicContact CD1-CE2 3.57Å; I16-F18 HydrophobicContact CD1-CZ 3.84Å; I16-F18 HydrophobicContact CG1-CE2 3.82Å; I16-F18 HydrophobicContact CG1-CZ 4.39Å; I16-C29 HydrophobicContact CB-CB 4.19Å; I16-C29 HydrophobicContact CG2-CB 4.1Å; I16-V31 HydrophobicContact CG2-CG2 4.1Å; I16-I72 HydrophobicContact CD1-CB 4.46Å; I16-I72 HydrophobicContact CD1-CD1 3.82Å; I16-I72 HydrophobicContact CD1-CG2 4.19Å; I16-F87 HydrophobicContact CD1-CD2 4.1Å; I16-F87 HydrophobicContact CD1-CE2 3.74Å; I16-F87 HydrophobicContact CD1-CZ 4.46Å; I16-I105 HydrophobicContact CD1-CG2 4.2Å; I16-I105 HydrophobicContact CG1-CG2 4.06Å; I16-I105 HydrophobicContact CG2-CG2 4.02Å; I16-C106 WeakPolarHBondContact CG1-O 3.43Å; I16-C106 PolarHBondContact N-O 3.05Å; I16-S107 WeakPolarHBondContact O-CA 3.32Å; I16-T108 PolarHBondContact O-N 3.43Å
17	F	84.3	Confident	80.7	Confident	36 Å²	36	60.7 Å²	60.7	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.1	-177.7	-65.1	-85.7	0	0	0	109.5	N15 N27 C29 T108 I119 Q120	N15-F17 HydrophobicContact CB-CE2 3.97Å; N15-F17 HydrophobicContact CB-CZ 4.4Å; F17-N27 PolarHBondContact O-ND2 2.77Å; F17-N27 VanDerWaalsContact O-ND2 3.14Å; F17-C29 PolarHBondContact O-SG 3.32Å; F17-T108 WeakPolarHBondContact CA-O 3.45Å; F17-T108 HydrophobicContact CD1-CG2 4.37Å; F17-T108 HydrophobicContact CE1-CG2 4.47Å; F17-I119 HydrophobicContact CE1-CB 4.1Å; F17-I119 HydrophobicContact CE1-CG2 3.9Å; F17-I119 HydrophobicContact CZ-CB 4.4Å; F17-I119 HydrophobicContact CZ-CG2 4.11Å; F17-Q120 HydrophobicContact CZ-CG 4.43Å
18	F	85	Confident	80.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.1	175.7	-65.2	-76.8	0	0	0	109.9	I16 N27 C29 Y53 I72 V74 S107 T108 I109 A110	I16-F18 HydrophobicContact CB-CE2 4.44Å; I16-F18 HydrophobicContact CD1-CE2 3.57Å; I16-F18 HydrophobicContact CD1-CZ 3.84Å; I16-F18 HydrophobicContact CG1-CE2 3.82Å; I16-F18 HydrophobicContact CG1-CZ 4.39Å; F18-N27 WeakPolarHBondContact CA-OD1 3.36Å; F18-N27 WeakPolarHBondContact CD1-O 3.23Å; F18-N27 WeakPolarHBondContact CE1-O 3.23Å; F18-C29 HydrophobicContact CE1-CB 3.98Å; F18-C29 VanDerWaalsContact CE1-SG 3.57Å; F18-C29 HydrophobicContact CZ-CB 3.99Å; F18-Y53 HydrophobicContact CD2-CE1 4.1Å; F18-Y53 HydrophobicContact CE2-CD1 4.3Å; F18-Y53 AromaticContact CE2-CE1 3.68Å; F18-Y53 HydrophobicContact CE2-CE1 3.68Å; F18-Y53 HydrophobicContact CZ-CD1 4.47Å; F18-Y53 HydrophobicContact CZ-CE1 4.28Å; F18-I72 VanDerWaalsContact CE1-O 3.29Å; F18-I72 WeakPolarHBondContact CE1-O 3.28Å; F18-I72 HydrophobicContact CE2-CG2 4.4Å; F18-I72 HydrophobicContact CZ-CB 4.16Å; F18-I72 HydrophobicContact CZ-CG2 3.7Å; F18-V74 HydrophobicContact CB-CG2 4Å; F18-V74 HydrophobicContact CD1-CG2 3.64Å; F18-V74 HydrophobicContact CD2-CG2 4.02Å; F18-V74 HydrophobicContact CE1-CG2 4.09Å; F18-V74 HydrophobicContact CE2-CG2 4.43Å; F18-V74 HydrophobicContact CG-CG2 3.59Å; F18-V74 HydrophobicContact CZ-CG2 4.47Å; F18-S107 WeakPolarHBondContact CD2-OG 3.34Å; F18-S107 VanDerWaalsContact CE2-OG 3.25Å; F18-S107 WeakPolarHBondContact CE2-OG 3.32Å; F18-T108 PolarHBondContact N-O 3.14Å; F18-I109 HydrophobicContact CB-CB 4.41Å; F18-I109 HydrophobicContact CB-CG1 4.08Å; F18-I109 HydrophobicContact CB-CG2 4.3Å; F18-I109 HydrophobicContact CD2-CG1 4.14Å; F18-I109 HydrophobicContact CG-CG1 4.47Å; F18-A110 PolarHBondContact O-N 3.28Å; F18-A110 VanDerWaalsContact O-N 3.07Å
19	H	75.5	Confident	80.9	Confident	78 Å²	78	55.9 Å²	55.9	36%	0.361	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.7	173.8	-59.8	-44.6	0	0	0	109	S21 C26 N27 N116	H19-S21 PolarHBondContact O-N 3.09Å; H19-C26 WeakPolarHBondContact O-CA 3.48Å; H19-N27 PolarHBondContact N-OD1 2.78Å; H19-N116 PolarHBondContact CE1-ND2 3.32Å
20	Y	72.4	Confident	81	Confident	86 Å²	86	61.1 Å²	61.1	34%	0.337	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-79.4	115.8	172.2	-160	-97.1	0	0	0	109.1	G24 I79 A110	Y20-G24 WeakPolarHBondContact OH-CA 3.48Å; Y20-I79 HydrophobicContact CD2-CD1 3.52Å; Y20-I79 HydrophobicContact CE2-CD1 3.78Å; Y20-A110 PolarHBondContact N-O 2.83Å
21	S	69	Low	81.1	Confident	38 Å²	38	58.7 Å²	58.7	27%	0.266	32%	0.32	S	S	.	.			trans	-73.8	159.5	175.5	80.1	0	0	0	0	110.7	H19 E23 G24 T25	H19-S21 PolarHBondContact O-N 3.09Å; S21-E23 PolarHBondContact O-N 3.34Å; S21-E23 VanDerWaalsContact O-N 3.17Å; S21-E23 PolarHBondContact OG-N 3.02Å; S21-G24 PolarHBondContact O-N 2.62Å; S21-G24 PolarHBondContact OG-N 2.84Å; S21-T25 VanDerWaalsContact CB-O 3.32Å; S21-T25 WeakPolarHBondContact CB-O 3.31Å; S21-T25 PolarHBondContact N-O 3.43Å; S21-T25 PolarHBondContact OG-N 3.23Å; S21-T25 PolarHBondContact OG-O 3.14Å; S21-T25 VanDerWaalsContact OG-O 3.06Å; S21-T25 PolarHBondContact OG-OG1 3.2Å
22	T	66.3	Low	81.2	Confident	152 Å²	152	61.1 Å²	61.1	93%	0.933	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.6	171	46.9	0	0	0	0	112.8	G24	T22-G24 VanDerWaalsContact C-N 3.28Å
23	E	67.5	Low	81.3	Confident	168 Å²	168	55.5 Å²	55.5	79%	0.785	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1	178.4	-59.1	-179.7	172.6	0	0	112.8	S21 T25	S21-E23 PolarHBondContact O-N 3.34Å; S21-E23 VanDerWaalsContact O-N 3.17Å; S21-E23 PolarHBondContact OG-N 3.02Å; E23-T25 VanDerWaalsContact C-N 3.33Å
24	G	66.4	Low	81.5	Confident	34 Å²	34	54.2 Å²	54.2	35%	0.351	30%	0.3	S	S	.	.	S	Bend	trans	80.5	13.8	-179.7	0	0	0	0	0	114.4	Y20 S21 T22	Y20-G24 WeakPolarHBondContact OH-CA 3.48Å; S21-G24 PolarHBondContact O-N 2.62Å; S21-G24 PolarHBondContact OG-N 2.84Å; T22-G24 VanDerWaalsContact C-N 3.28Å
25	T	68.6	Low	81.9	Confident	78 Å²	78	52.5 Å²	52.5	48%	0.479	29%	0.288	S	S	.	.			trans	-104.2	143.3	179.3	57.2	0	0	0	0	110.6	S21 E23	S21-T25 VanDerWaalsContact CB-O 3.32Å; S21-T25 WeakPolarHBondContact CB-O 3.31Å; S21-T25 PolarHBondContact N-O 3.43Å; S21-T25 PolarHBondContact OG-N 3.23Å; S21-T25 PolarHBondContact OG-O 3.14Å; S21-T25 VanDerWaalsContact OG-O 3.06Å; S21-T25 PolarHBondContact OG-OG1 3.2Å; E23-T25 VanDerWaalsContact C-N 3.33Å
26	C	75.7	Confident	82.3	Confident	28 Å²	28	56.3 Å²	56.3	19%	0.189	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-99.4	149.5	169.2	-68.2	0	0	0	0	109.6	H19 V74	H19-C26 WeakPolarHBondContact O-CA 3.48Å; C26-V74 HydrophobicContact CB-CB 3.79Å; C26-V74 HydrophobicContact CB-CG2 3.88Å
27	N	81.7	Confident	82.4	Confident	60 Å²	60	56.2 Å²	56.2	32%	0.321	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-61.8	154.2	166.5	60.2	-40	0	0	0	111.3	F17 F18 H19	F17-N27 PolarHBondContact O-ND2 2.77Å; F17-N27 VanDerWaalsContact O-ND2 3.14Å; F18-N27 WeakPolarHBondContact CA-OD1 3.36Å; F18-N27 WeakPolarHBondContact CD1-O 3.23Å; F18-N27 WeakPolarHBondContact CE1-O 3.23Å; H19-N27 PolarHBondContact N-OD1 2.78Å
28	T	86.3	Confident	82.7	Confident	79 Å²	79	59 Å²	59	49%	0.485	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-92	135	167.7	-59.9	0	0	0	0	108.8	D71	T28-D71 HydrophobicContact CG2-CB 3.73Å
29	C	88.9	Confident	82.9	Confident	17 Å²	17	64.4 Å²	64.4	12%	0.115	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129	175.6	-69	0	0	0	0	110.1	I16 F17 F18 I72	I16-C29 HydrophobicContact CB-CB 4.19Å; I16-C29 HydrophobicContact CG2-CB 4.1Å; F17-C29 PolarHBondContact O-SG 3.32Å; F18-C29 HydrophobicContact CE1-CB 3.98Å; F18-C29 VanDerWaalsContact CE1-SG 3.57Å; F18-C29 HydrophobicContact CZ-CB 3.99Å; C29-I72 PolarHBondContact N-O 2.95Å; C29-I72 PolarHBondContact O-N 2.82Å
30	Q	92	Very high	83.7	Confident	120 Å²	120	62.9 Å²	62.9	56%	0.561	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.9	173.4	-81	176.2	0.9	0	0	111.1	P13 D71	P13-Q30 VanDerWaalsContact CD-O 3.23Å; P13-Q30 WeakPolarHBondContact CD-O 3.31Å; Q30-D71 WeakPolarHBondContact CG-OD1 3.41Å; Q30-D71 PolarHBondContact NE2-OD1 3.11Å
31	V	92.4	Very high	84.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.8	173.1	176.4	0	0	0	0	109	V11 K12 I16 I33 T70 I72 I105	V11-V31 HydrophobicContact CG1-CG1 3.9Å; K12-V31 CarbonylContact O-C 3.55Å; K12-V31 WeakPolarHBondContact O-CA 3.14Å; I16-V31 HydrophobicContact CG2-CG2 4.1Å; V31-I33 HydrophobicContact CG1-CG1 4.38Å; V31-T70 HydrophobicContact CB-CG2 3.75Å; V31-T70 HydrophobicContact CG1-CG2 4.24Å; V31-T70 PolarHBondContact N-O 2.69Å; V31-T70 PolarHBondContact O-N 2.89Å; V31-I72 HydrophobicContact CB-CD1 4.46Å; V31-I72 HydrophobicContact CG2-CD1 3.61Å; V31-I72 HydrophobicContact CG2-CG1 4.26Å; V31-I105 HydrophobicContact CB-CD1 4.4Å; V31-I105 HydrophobicContact CG1-CD1 3.51Å; V31-I105 HydrophobicContact CG2-CD1 4Å
32	L	93.6	Very high	86	Confident	54 Å²	54	61.9 Å²	61.9	28%	0.283	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.1	174.2	-178	68.3	0	0	0	110	V11 K12 V34 F67 E69	V11-L32 CarbonylContact C-O 3.59Å; V11-L32 VanDerWaalsContact CA-O 3.31Å; V11-L32 WeakPolarHBondContact CA-O 3.25Å; K12-L32 PolarHBondContact N-O 3.02Å; K12-L32 PolarHBondContact O-N 2.96Å; L32-V34 HydrophobicContact CD1-CG2 4.25Å; L32-V34 HydrophobicContact CD2-CG2 3.83Å; L32-V34 HydrophobicContact CG-CG2 3.74Å; L32-F67 HydrophobicContact CD1-CB 4.01Å; L32-F67 HydrophobicContact CD1-CD2 3.54Å; L32-F67 HydrophobicContact CD1-CE2 4.38Å; L32-F67 HydrophobicContact CD1-CG 4.1Å; L32-E69 HydrophobicContact CD1-CG 3.8Å
33	I	94	Very high	87.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.3	173.4	-55	169.7	0	0	0	107.9	L10 V11 V31 F43 V45 L62 F67 V68 T70 I89 F91	L10-I33 CarbonylContact O-C 3.48Å; L10-I33 WeakPolarHBondContact O-CA 3.3Å; V11-I33 HydrophobicContact CG2-CG1 4.44Å; V11-I33 HydrophobicContact CG2-CG2 4.35Å; V31-I33 HydrophobicContact CG1-CG1 4.38Å; I33-F43 HydrophobicContact CD1-CD2 4.07Å; I33-F43 HydrophobicContact CD1-CE2 4.03Å; I33-V45 HydrophobicContact CD1-CG2 4.31Å; I33-L62 HydrophobicContact CG2-CD1 3.75Å; I33-F67 CarbonylContact O-C 3.38Å; I33-F67 WeakPolarHBondContact O-CA 3.44Å; I33-F67 WeakPolarHBondContact O-CB 3.46Å; I33-V68 HydrophobicContact CB-CG1 3.84Å; I33-V68 HydrophobicContact CD1-CG1 4.26Å; I33-V68 HydrophobicContact CG1-CG1 4.47Å; I33-V68 PolarHBondContact N-O 2.92Å; I33-V68 PolarHBondContact O-N 2.92Å; I33-T70 HydrophobicContact CD1-CG2 4.34Å; I33-I89 HydrophobicContact CD1-CD1 3.89Å; I33-I89 HydrophobicContact CD1-CG2 4.37Å; I33-I89 HydrophobicContact CG1-CD1 4.15Å; I33-F91 HydrophobicContact CG2-CE1 3.66Å; I33-F91 HydrophobicContact CG2-CZ 3.62Å
34	V	93.1	Very high	88.6	Confident	26 Å²	26	50.4 Å²	50.4	16%	0.158	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.6	-178.1	-169.6	0	0	0	0	110	V9 L10 L32 K36 F67	V9-V34 WeakPolarHBondContact CA-O 3.4Å; L10-V34 HydrophobicContact CB-CB 4.14Å; L10-V34 HydrophobicContact CB-CG2 4.44Å; L10-V34 HydrophobicContact CD2-CG2 4.32Å; L10-V34 PolarHBondContact N-O 3.48Å; L10-V34 PolarHBondContact O-N 2.87Å; L32-V34 HydrophobicContact CD1-CG2 4.25Å; L32-V34 HydrophobicContact CD2-CG2 3.83Å; L32-V34 HydrophobicContact CG-CG2 3.74Å; V34-K36 HydrophobicContact CG1-CG 4.29Å; V34-F67 HydrophobicContact CB-CB 4.26Å; V34-F67 HydrophobicContact CG1-CB 4.24Å; V34-F67 HydrophobicContact CG2-CB 3.87Å
35	N	94.6	Very high	89.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.5	170.5	-179.7	11	0	0	0	109.9	S37 R39 L41 L62 K63 G65 E66	N35-S37 VanDerWaalsContact OD1-CB 3.29Å; N35-S37 WeakPolarHBondContact OD1-CB 3.39Å; N35-S37 PolarHBondContact OD1-N 2.88Å; N35-S37 PolarHBondContact OD1-OG 2.84Å; N35-R39 PolarHBondContact ND2-O 3.42Å; N35-L41 HydrophobicContact CB-CD1 4.5Å; N35-L41 WeakPolarHBondContact OD1-CD1 3.16Å; N35-L62 HydrophobicContact CB-CB 3.78Å; N35-L62 HydrophobicContact CB-CD1 4.38Å; N35-L62 PolarHBondContact ND2-O 2.94Å; N35-K63 PolarHBondContact ND2-O 2.9Å; N35-K63 VanDerWaalsContact ND2-O 3.16Å; N35-G65 VanDerWaalsContact O-CA 3.23Å; N35-G65 WeakPolarHBondContact O-CA 3.32Å; N35-G65 PolarHBondContact O-N 3.16Å; N35-E66 PolarHBondContact N-O 3.25Å
36	K	92.5	Very high	90.9	Very high	124 Å²	124	47.1 Å²	47.1	54%	0.539	24%	0.242	S	C	.	.			trans	-94.7	-5.5	174.2	-59	179.8	174.2	179.7	0	112.7	E8 L10 V34	E8-K36 CarbonylContact O-C 3.52Å; E8-K36 VanDerWaalsContact O-CA 3.25Å; E8-K36 WeakPolarHBondContact O-CA 3.42Å; E8-K36 VanDerWaalsContact O-CB 3.3Å; E8-K36 WeakPolarHBondContact O-CB 3.42Å; E8-K36 PolarHBondContact O-N 2.79Å; L10-K36 HydrophobicContact CB-CD 4.43Å; V34-K36 HydrophobicContact CG1-CG 4.29Å
37	S	91	Very high	91.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	24%	0.237	C	C	.	.	S	Bend	trans	-70.8	159.2	175.8	79.7	0	0	0	0	110.8	E8 N35 R39 S64	E8-S37 PolarHBondContact O-N 2.93Å; E8-S37 WeakPolarHBondContact OE2-CB 3.37Å; N35-S37 VanDerWaalsContact OD1-CB 3.29Å; N35-S37 WeakPolarHBondContact OD1-CB 3.39Å; N35-S37 PolarHBondContact OD1-N 2.88Å; N35-S37 PolarHBondContact OD1-OG 2.84Å; S37-R39 PolarHBondContact O-N 3.48Å; S37-R39 PolarHBondContact OG-N 3.48Å; S37-R39 VanDerWaalsContact OG-N 3.09Å; S37-R39 PolarHBondContact OG-O 2.8Å; S37-S64 VanDerWaalsContact O-CA 3.31Å; S37-S64 WeakPolarHBondContact O-CA 3.47Å; S37-S64 VanDerWaalsContact O-CB 3.22Å; S37-S64 WeakPolarHBondContact O-CB 3.44Å; S37-S64 PolarHBondContact O-OG 3.01Å
38	A	89.9	Confident	91.6	Very high	95 Å²	95	46.1 Å²	46.1	79%	0.785	24%	0.237	S	C	*	.	S	Bend	trans	-74.3	-4.5	168.2	0	0	0	0	0	113.1
39	R	89.9	Confident	91.4	Very high	114 Å²	114	43 Å²	43	43%	0.43	22%	0.22	S	C	.	.	S	Bend	trans	-94.8	159.1	-172.9	-60.1	174.3	-179.6	-143	9.6	110.9	N35 S37 L41 D93	N35-R39 PolarHBondContact ND2-O 3.42Å; S37-R39 PolarHBondContact O-N 3.48Å; S37-R39 PolarHBondContact OG-N 3.48Å; S37-R39 VanDerWaalsContact OG-N 3.09Å; S37-R39 PolarHBondContact OG-O 2.8Å; R39-L41 HydrophobicContact CB-CD2 4.07Å; R39-D93 WeakPolarHBondContact CD-OD2 3.29Å; R39-D93 IonicContact CZ-OD2 3.79Å; R39-D93 IonicContact NE-OD2 3.96Å; R39-D93 IonicContact NH1-OD2 2.88Å; R39-D93 PolarHBondContact NH1-OD2 3.46Å
40	I	92.7	Very high	91	Very high	45 Å²	45	51.6 Å²	51.6	23%	0.231	25%	0.25	C	C	.	.			trans	-87.8	119.1	167	-56.2	178.3	0	0	0	107	V61 K63 S94 Y95	I40-V61 HydrophobicContact CG2-CG1 3.45Å; I40-V61 VanDerWaalsContact CG2-CG1 3.45Å; I40-K63 HydrophobicContact CG1-CG 4.4Å; I40-K63 HydrophobicContact CG2-CG 4.48Å; I40-S94 WeakPolarHBondContact O-CB 3.43Å; I40-S94 PolarHBondContact O-N 3.29Å; I40-Y95 HydrophobicContact CB-CE2 4.37Å; I40-Y95 HydrophobicContact CD1-CE2 4.36Å; I40-Y95 HydrophobicContact CG1-CE2 4.35Å
41	L	93.8	Very high	90.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.7	-176.3	-60.3	-178	0	0	0	110.6	V9 N35 R39 V61 L62 F91 F92 F100	V9-L41 HydrophobicContact CG2-CD1 3.59Å; N35-L41 HydrophobicContact CB-CD1 4.5Å; N35-L41 WeakPolarHBondContact OD1-CD1 3.16Å; R39-L41 HydrophobicContact CB-CD2 4.07Å; L41-V61 CarbonylContact O-C 3.53Å; L41-V61 WeakPolarHBondContact O-CA 3.25Å; L41-L62 PolarHBondContact N-O 3.02Å; L41-L62 PolarHBondContact O-N 3.27Å; L41-F91 HydrophobicContact CD1-CD1 4.32Å; L41-F92 CarbonylContact C-O 3.5Å; L41-F92 WeakPolarHBondContact CA-O 3.29Å; L41-F100 HydrophobicContact CD1-CD1 3.94Å; L41-F100 HydrophobicContact CD1-CE1 4.04Å; L41-F100 HydrophobicContact CD2-CB 4.21Å; L41-F100 HydrophobicContact CD2-CD1 4.04Å; L41-F100 HydrophobicContact CD2-CD2 4.1Å; L41-F100 HydrophobicContact CD2-CE1 4.5Å; L41-F100 HydrophobicContact CD2-CG 3.83Å
42	R	94.8	Very high	90	Very high	104 Å²	104	52.4 Å²	52.4	39%	0.392	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.6	163.8	-64.4	-177.2	-71	-170.1	-10.7	108.2	G60 V61 F91 F92 D93	R42-G60 WeakPolarHBondContact CA-O 3.4Å; R42-V61 HydrophobicContact CG-CG1 4.46Å; R42-V61 HydrophobicContact CG-CG2 4.13Å; R42-F91 CarbonylContact O-C 3.55Å; R42-F91 WeakPolarHBondContact O-CA 3.39Å; R42-F92 HydrophobicContact CB-CB 4.49Å; R42-F92 PolarHBondContact N-O 3.25Å; R42-F92 PolarHBondContact O-N 3.12Å; R42-D93 PolarHBondContact NH2-O 2.8Å
43	F	94.6	Very high	89.7	Confident	7 Å²	7	50.2 Å²	50.2	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.2	177.3	74.8	-86.9	0	0	0	111.7	I33 V45 V57 K59 G60 L62 V68 I89 Q90 F91	I33-F43 HydrophobicContact CD1-CD2 4.07Å; I33-F43 HydrophobicContact CD1-CE2 4.03Å; F43-V45 HydrophobicContact CD2-CG2 4.21Å; F43-V45 HydrophobicContact CE2-CG2 4.29Å; F43-V57 HydrophobicContact CE2-CG1 4.14Å; F43-V57 HydrophobicContact CZ-CG1 3.75Å; F43-K59 VanDerWaalsContact O-CA 3.24Å; F43-K59 WeakPolarHBondContact O-CA 3.19Å; F43-G60 WeakPolarHBondContact CD1-O 3.01Å; F43-G60 PolarHBondContact N-O 3.15Å; F43-G60 PolarHBondContact O-N 2.93Å; F43-G60 VanDerWaalsContact O-N 3.12Å; F43-L62 HydrophobicContact CD1-CD1 3.73Å; F43-L62 HydrophobicContact CD1-CG 3.84Å; F43-L62 HydrophobicContact CE1-CD1 4.03Å; F43-L62 HydrophobicContact CE1-CD2 4.46Å; F43-L62 HydrophobicContact CE1-CG 3.89Å; F43-V68 HydrophobicContact CE1-CG1 3.85Å; F43-V68 HydrophobicContact CE2-CG1 4.34Å; F43-V68 HydrophobicContact CZ-CG1 3.63Å; F43-I89 HydrophobicContact CB-CG2 4.49Å; F43-Q90 CarbonylContact C-O 3.56Å; F43-Q90 VanDerWaalsContact CA-O 3.25Å; F43-Q90 WeakPolarHBondContact CA-O 3.44Å; F43-F91 HydrophobicContact CB-CD1 3.7Å; F43-F91 HydrophobicContact CB-CE1 3.6Å; F43-F91 HydrophobicContact CB-CZ 4.37Å; F43-F91 HydrophobicContact CG-CE1 4.46Å
44	K	94.4	Very high	89.5	Confident	71 Å²	71	54.9 Å²	54.9	31%	0.309	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.8	172.8	-172.7	-177.4	-175.8	-174.3	0	110	L46 C58 I89 Q90	K44-L46 HydrophobicContact CD-CD2 4.07Å; K44-L46 HydrophobicContact CG-CD2 4.27Å; K44-C58 CarbonylContact C-O 3.52Å; K44-C58 WeakPolarHBondContact CA-O 3.4Å; K44-I89 WeakPolarHBondContact O-CA 3.39Å; K44-Q90 PolarHBondContact N-O 2.8Å; K44-Q90 PolarHBondContact O-N 2.83Å
45	V	93.4	Very high	89.4	Confident	11 Å²	11	55.9 Å²	55.9	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.4	175.7	-170.8	0	0	0	0	109.2	I33 F43 L55 C58 F87 I89	I33-V45 HydrophobicContact CD1-CG2 4.31Å; F43-V45 HydrophobicContact CD2-CG2 4.21Å; F43-V45 HydrophobicContact CE2-CG2 4.29Å; V45-L55 HydrophobicContact CB-CD2 3.91Å; V45-L55 HydrophobicContact CG1-CD2 3.43Å; V45-L55 VanDerWaalsContact CG1-CD2 3.43Å; V45-C58 PolarHBondContact N-O 2.83Å; V45-F87 HydrophobicContact CG1-CD1 4.15Å; V45-I89 HydrophobicContact CG1-CG1 4.31Å; V45-I89 HydrophobicContact CG2-CD1 4.46Å; V45-I89 HydrophobicContact CG2-CG1 4.24Å; V45-I89 HydrophobicContact CG2-CG2 4.32Å
46	L	90.5	Very high	89.3	Confident	32 Å²	32	59.2 Å²	59.2	17%	0.168	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.5	176.9	-59.3	174.9	0	0	0	108.8	K44 F87 K88	K44-L46 HydrophobicContact CD-CD2 4.07Å; K44-L46 HydrophobicContact CG-CD2 4.27Å; L46-F87 CarbonylContact O-C 3.56Å; L46-F87 WeakPolarHBondContact O-CA 3.25Å; L46-K88 HydrophobicContact CB-CB 4.33Å; L46-K88 PolarHBondContact N-O 3.34Å; L46-K88 PolarHBondContact O-N 3.4Å
47	S	88.2	Confident	89.2	Confident	13 Å²	13	55.3 Å²	55.3	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143	176.4	176.5	0	0	0	0	109.8	A49 Y53 F86	S47-A49 PolarHBondContact O-N 3.41Å; S47-A49 PolarHBondContact OG-N 3.08Å; S47-Y53 WeakPolarHBondContact OG-CD2 3.38Å; S47-F86 WeakPolarHBondContact CA-O 3.42Å
48	T	83	Confident	89.2	Confident	54 Å²	54	58 Å²	58	33%	0.331	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.5	170.9	53.4	0	0	0	0	112.1	D85 F86 W128	T48-D85 WeakPolarHBondContact OG1-CB 3.19Å; T48-F86 HydrophobicContact CG2-CB 3.91Å; T48-F86 PolarHBondContact N-O 2.84Å; T48-F86 PolarHBondContact OG1-N 2.77Å; T48-F86 PolarHBondContact OG1-O 2.91Å; T48-W128 HydrophobicContact CG2-CH2 3.59Å; T48-W128 HydrophobicContact CG2-CZ2 3.73Å; T48-W128 HydrophobicContact CG2-CZ3 4.28Å
49	A	82.1	Confident	89.5	Confident	13 Å²	13	60.8 Å²	60.8	11%	0.107	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	60.4	-177.6	0	0	0	0	0	111.9	S47 S51 K52 Y53 D85	S47-A49 PolarHBondContact O-N 3.41Å; S47-A49 PolarHBondContact OG-N 3.08Å; A49-S51 PolarHBondContact O-N 3.25Å; A49-K52 HydrophobicContact CB-CB 4.12Å; A49-K52 HydrophobicContact CB-CD 3.65Å; A49-K52 HydrophobicContact CB-CG 3.87Å; A49-K52 WeakPolarHBondContact O-CB 3.45Å; A49-K52 PolarHBondContact O-N 3.47Å; A49-Y53 HydrophobicContact CB-CD2 4.38Å; A49-Y53 HydrophobicContact CB-CE2 4.09Å; A49-Y53 WeakPolarHBondContact O-CD2 3.43Å; A49-D85 WeakPolarHBondContact CB-OD1 3.07Å
50	R	80.7	Confident	89.6	Confident	199 Å²	199	56.6 Å²	56.6	75%	0.751	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-33.5	-177.4	-175.9	-178.7	176.1	116.7	2.2	114.9	K52	R50-K52 VanDerWaalsContact C-N 3.32Å
51	S	80	Confident	89.7	Confident	86 Å²	86	58.5 Å²	58.5	60%	0.601	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.7	179.7	55.4	0	0	0	0	114.2	A49	A49-S51 PolarHBondContact O-N 3.25Å
52	K	83.1	Confident	89.6	Confident	51 Å²	51	58.7 Å²	58.7	22%	0.222	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-23.6	178.5	-64.7	-173.6	-167.2	168.6	0	112.6	A49 R50 V74 S75 T83 D85	A49-K52 HydrophobicContact CB-CB 4.12Å; A49-K52 HydrophobicContact CB-CD 3.65Å; A49-K52 HydrophobicContact CB-CG 3.87Å; A49-K52 WeakPolarHBondContact O-CB 3.45Å; A49-K52 PolarHBondContact O-N 3.47Å; R50-K52 VanDerWaalsContact C-N 3.32Å; K52-V74 CarbonylContact O-C 3.6Å; K52-V74 WeakPolarHBondContact O-CA 3.27Å; K52-S75 WeakPolarHBondContact O-CB 3.36Å; K52-S75 PolarHBondContact O-N 2.86Å; K52-T83 PolarHBondContact NZ-OG1 2.77Å; K52-D85 WeakPolarHBondContact CD-OD2 3.41Å; K52-D85 IonicContact NZ-OD1 3.28Å; K52-D85 PolarHBondContact NZ-OD1 2.94Å; K52-D85 IonicContact NZ-OD2 2.99Å; K52-D85 PolarHBondContact NZ-OD2 2.79Å
53	Y	88.1	Confident	89.6	Confident	8 Å²	8	59.1 Å²	59.1	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.3	-172.9	-60.1	-79.9	0	0	0	111.9	F18 S47 A49 I72 S73 V74 D85 F87 S107 I109	F18-Y53 HydrophobicContact CD2-CE1 4.1Å; F18-Y53 HydrophobicContact CE2-CD1 4.3Å; F18-Y53 AromaticContact CE2-CE1 3.68Å; F18-Y53 HydrophobicContact CE2-CE1 3.68Å; F18-Y53 HydrophobicContact CZ-CD1 4.47Å; F18-Y53 HydrophobicContact CZ-CE1 4.28Å; S47-Y53 WeakPolarHBondContact OG-CD2 3.38Å; A49-Y53 HydrophobicContact CB-CD2 4.38Å; A49-Y53 HydrophobicContact CB-CE2 4.09Å; A49-Y53 WeakPolarHBondContact O-CD2 3.43Å; Y53-I72 HydrophobicContact CD1-CG2 3.95Å; Y53-I72 HydrophobicContact CG-CG2 4.48Å; Y53-S73 CarbonylContact C-O 3.56Å; Y53-S73 VanDerWaalsContact CA-O 3.32Å; Y53-S73 WeakPolarHBondContact CA-O 3.43Å; Y53-V74 HydrophobicContact CD1-CG2 4.28Å; Y53-V74 HydrophobicContact CE1-CG2 4.04Å; Y53-D85 HydrophobicContact CE2-CB 3.74Å; Y53-D85 VanDerWaalsContact CE2-OD2 3.28Å; Y53-D85 WeakPolarHBondContact CE2-OD2 3.15Å; Y53-D85 WeakPolarHBondContact OH-CB 3.38Å; Y53-D85 PolarHBondContact OH-OD2 2.85Å; Y53-F87 HydrophobicContact CD1-CE2 4.38Å; Y53-F87 AromaticContact CD1-CZ 3.69Å; Y53-F87 HydrophobicContact CD1-CZ 3.69Å; Y53-F87 HydrophobicContact CD2-CE1 4.27Å; Y53-F87 HydrophobicContact CD2-CE2 4.33Å; Y53-F87 AromaticContact CD2-CZ 3.61Å; Y53-F87 HydrophobicContact CD2-CZ 3.61Å; Y53-F87 HydrophobicContact CE1-CE2 4.26Å; Y53-F87 HydrophobicContact CE1-CZ 4.01Å; Y53-F87 HydrophobicContact CE2-CE2 4.24Å; Y53-F87 AromaticContact CE2-CZ 3.97Å; Y53-F87 HydrophobicContact CE2-CZ 3.97Å; Y53-F87 HydrophobicContact CG-CE1 4.16Å; Y53-F87 HydrophobicContact CG-CE2 4.41Å; Y53-F87 AromaticContact CG-CZ 3.47Å; Y53-F87 HydrophobicContact CG-CZ 3.47Å; Y53-F87 VanDerWaalsContact CG-CZ 3.47Å; Y53-S107 PolarHBondContact OH-OG 3.07Å; Y53-I109 HydrophobicContact CE1-CD1 4.28Å
54	L	88.4	Confident	89.5	Confident	98 Å²	98	62.1 Å²	62.1	51%	0.513	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.5	166.8	-66.2	166.3	0	0	0	107.5	I72 S73	L54-I72 WeakPolarHBondContact O-CA 3.37Å; L54-S73 WeakPolarHBondContact CB-OG 3.47Å; L54-S73 PolarHBondContact N-O 2.88Å; L54-S73 PolarHBondContact O-N 2.9Å
55	L	91.5	Very high	89.3	Confident	48 Å²	48	61.4 Å²	61.4	25%	0.251	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.9	176.9	-66.4	88.6	0	0	0	108.7	V45 D71 I72 F87	V45-L55 HydrophobicContact CB-CD2 3.91Å; V45-L55 HydrophobicContact CG1-CD2 3.43Å; V45-L55 VanDerWaalsContact CG1-CD2 3.43Å; L55-D71 CarbonylContact C-O 3.53Å; L55-D71 VanDerWaalsContact CA-O 3.26Å; L55-D71 WeakPolarHBondContact CA-O 3.23Å; L55-I72 HydrophobicContact CD2-CG1 4.45Å; L55-I72 HydrophobicContact CG-CG1 4.38Å; L55-F87 HydrophobicContact CD1-CE1 4.21Å; L55-F87 HydrophobicContact CD2-CD1 4.39Å; L55-F87 HydrophobicContact CD2-CE1 4.25Å; L55-F87 HydrophobicContact CG-CE1 4.49Å
56	S	92.2	Very high	89.4	Confident	69 Å²	69	64.4 Å²	64.4	48%	0.483	36%	0.361	S	S	.	.	S	Bend	trans	-66.3	-40.1	174.7	66.4	0	0	0	0	111.3	D71	S56-D71 PolarHBondContact N-O 2.75Å; S56-D71 PolarHBondContact OG-N 2.78Å; S56-D71 PolarHBondContact OG-OD2 2.94Å
57	V	91.3	Very high	89.6	Confident	42 Å²	42	68.9 Å²	68.9	26%	0.255	38%	0.379	S	S	.	.			trans	-129.2	115.7	175.8	-173.4	0	0	0	0	110.8	F43 K59 V68 T70	F43-V57 HydrophobicContact CE2-CG1 4.14Å; F43-V57 HydrophobicContact CZ-CG1 3.75Å; V57-K59 WeakPolarHBondContact CG1-O 3.47Å; V57-V68 HydrophobicContact CB-CG2 4.41Å; V57-V68 HydrophobicContact CG1-CG2 4.23Å; V57-V68 HydrophobicContact CG2-CG2 4.21Å; V57-T70 PolarHBondContact N-OG1 3.45Å; V57-T70 PolarHBondContact O-OG1 2.95Å
58	C	91.5	Very high	89.9	Confident	58 Å²	58	69.7 Å²	69.7	39%	0.392	38%	0.383	S	S	.	.	S	Bend	trans	-106.1	-13.2	179.5	65.9	0	0	0	0	114.4	K44 V45	K44-C58 CarbonylContact C-O 3.52Å; K44-C58 WeakPolarHBondContact CA-O 3.4Å; V45-C58 PolarHBondContact N-O 2.83Å
59	K	94.5	Very high	90.4	Very high	153 Å²	153	71.9 Å²	71.9	67%	0.665	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.6	154.6	177.1	62.2	178.2	-178.3	174	0	109.7	F43 V57	F43-K59 VanDerWaalsContact O-CA 3.24Å; F43-K59 WeakPolarHBondContact O-CA 3.19Å; V57-K59 WeakPolarHBondContact CG1-O 3.47Å
60	G	93.3	Very high	90.9	Very high	26 Å²	26	71.3 Å²	71.3	27%	0.268	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	-173.2	176.8	0	0	0	0	0	112.8	R42 F43	R42-G60 WeakPolarHBondContact CA-O 3.4Å; F43-G60 WeakPolarHBondContact CD1-O 3.01Å; F43-G60 PolarHBondContact N-O 3.15Å; F43-G60 PolarHBondContact O-N 2.93Å; F43-G60 VanDerWaalsContact O-N 3.12Å
61	V	93.9	Very high	91.5	Very high	85 Å²	85	64.5 Å²	64.5	52%	0.515	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.6	175.4	-169.7	0	0	0	0	107.5	I40 L41 R42	I40-V61 HydrophobicContact CG2-CG1 3.45Å; I40-V61 VanDerWaalsContact CG2-CG1 3.45Å; L41-V61 CarbonylContact O-C 3.53Å; L41-V61 WeakPolarHBondContact O-CA 3.25Å; R42-V61 HydrophobicContact CG-CG1 4.46Å; R42-V61 HydrophobicContact CG-CG2 4.13Å
62	L	93.2	Very high	92	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.9	178.6	-69.3	169.7	0	0	0	108.5	I33 N35 L41 F43 E66 V68	I33-L62 HydrophobicContact CG2-CD1 3.75Å; N35-L62 HydrophobicContact CB-CB 3.78Å; N35-L62 HydrophobicContact CB-CD1 4.38Å; N35-L62 PolarHBondContact ND2-O 2.94Å; L41-L62 PolarHBondContact N-O 3.02Å; L41-L62 PolarHBondContact O-N 3.27Å; F43-L62 HydrophobicContact CD1-CD1 3.73Å; F43-L62 HydrophobicContact CD1-CG 3.84Å; F43-L62 HydrophobicContact CE1-CD1 4.03Å; F43-L62 HydrophobicContact CE1-CD2 4.46Å; F43-L62 HydrophobicContact CE1-CG 3.89Å; L62-E66 HydrophobicContact CD2-CB 4.21Å; L62-V68 HydrophobicContact CD1-CG1 4.22Å; L62-V68 HydrophobicContact CD2-CB 4.05Å; L62-V68 HydrophobicContact CD2-CG1 3.96Å; L62-V68 HydrophobicContact CG-CG1 4.49Å
63	K	94	Very high	92.3	Very high	113 Å²	113	59.5 Å²	59.5	49%	0.491	34%	0.335	S	S	.	.			trans	-73.7	169.1	169.1	-56.3	176.8	-170.4	161.5	0	110.4	N35 I40 G65 E66	N35-K63 PolarHBondContact ND2-O 2.9Å; N35-K63 VanDerWaalsContact ND2-O 3.16Å; I40-K63 HydrophobicContact CG1-CG 4.4Å; I40-K63 HydrophobicContact CG2-CG 4.48Å; K63-G65 PolarHBondContact O-N 3.02Å; K63-E66 HydrophobicContact CB-CG 3.97Å; K63-E66 WeakPolarHBondContact CB-OE2 2.92Å; K63-E66 WeakPolarHBondContact CD-OE1 3.48Å; K63-E66 WeakPolarHBondContact CG-OE2 3.48Å; K63-E66 PolarHBondContact N-OE2 2.79Å; K63-E66 WeakPolarHBondContact O-CB 3.42Å; K63-E66 PolarHBondContact O-N 3.44Å
64	S	92.2	Very high	92.2	Very high	71 Å²	71	60.1 Å²	60.1	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	123.4	173.9	174	0	0	0	0	110.9	S37 E66	S37-S64 VanDerWaalsContact O-CA 3.31Å; S37-S64 WeakPolarHBondContact O-CA 3.47Å; S37-S64 VanDerWaalsContact O-CB 3.22Å; S37-S64 WeakPolarHBondContact O-CB 3.44Å; S37-S64 PolarHBondContact O-OG 3.01Å; S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 2.8Å
65	G	90.4	Very high	91.7	Very high	55 Å²	55	57.1 Å²	57.1	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-1.7	-179.6	0	0	0	0	0	115.4	N35 K63	N35-G65 VanDerWaalsContact O-CA 3.23Å; N35-G65 WeakPolarHBondContact O-CA 3.32Å; N35-G65 PolarHBondContact O-N 3.16Å; K63-G65 PolarHBondContact O-N 3.02Å
66	E	95	Very high	90.4	Very high	75 Å²	75	58.8 Å²	58.8	35%	0.35	36%	0.355	S	S	.	.			trans	-81	155.5	175.7	-70.6	-177.2	168	0	0	111.7	N35 L62 K63 S64	N35-E66 PolarHBondContact N-O 3.25Å; L62-E66 HydrophobicContact CD2-CB 4.21Å; K63-E66 HydrophobicContact CB-CG 3.97Å; K63-E66 WeakPolarHBondContact CB-OE2 2.92Å; K63-E66 WeakPolarHBondContact CD-OE1 3.48Å; K63-E66 WeakPolarHBondContact CG-OE2 3.48Å; K63-E66 PolarHBondContact N-OE2 2.79Å; K63-E66 WeakPolarHBondContact O-CB 3.42Å; K63-E66 PolarHBondContact O-N 3.44Å; S64-E66 VanDerWaalsContact C-N 3.28Å; S64-E66 PolarHBondContact O-N 2.8Å
67	F	94.5	Very high	88.9	Confident	126 Å²	126	58.8 Å²	58.8	55%	0.553	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.9	174.5	68.5	-87.8	0	0	0	111.1	L32 I33 V34	L32-F67 HydrophobicContact CD1-CB 4.01Å; L32-F67 HydrophobicContact CD1-CD2 3.54Å; L32-F67 HydrophobicContact CD1-CE2 4.38Å; L32-F67 HydrophobicContact CD1-CG 4.1Å; I33-F67 CarbonylContact O-C 3.38Å; I33-F67 WeakPolarHBondContact O-CA 3.44Å; I33-F67 WeakPolarHBondContact O-CB 3.46Å; V34-F67 HydrophobicContact CB-CB 4.26Å; V34-F67 HydrophobicContact CG1-CB 4.24Å; V34-F67 HydrophobicContact CG2-CB 3.87Å
68	V	94.9	Very high	87.6	Confident	29 Å²	29	61.1 Å²	61.1	18%	0.176	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.1	171.9	63.3	0	0	0	0	109.2	I33 F43 V57 L62	I33-V68 HydrophobicContact CB-CG1 3.84Å; I33-V68 HydrophobicContact CD1-CG1 4.26Å; I33-V68 HydrophobicContact CG1-CG1 4.47Å; I33-V68 PolarHBondContact N-O 2.92Å; I33-V68 PolarHBondContact O-N 2.92Å; F43-V68 HydrophobicContact CE1-CG1 3.85Å; F43-V68 HydrophobicContact CE2-CG1 4.34Å; F43-V68 HydrophobicContact CZ-CG1 3.63Å; V57-V68 HydrophobicContact CB-CG2 4.41Å; V57-V68 HydrophobicContact CG1-CG2 4.23Å; V57-V68 HydrophobicContact CG2-CG2 4.21Å; L62-V68 HydrophobicContact CD1-CG1 4.22Å; L62-V68 HydrophobicContact CD2-CB 4.05Å; L62-V68 HydrophobicContact CD2-CG1 3.96Å; L62-V68 HydrophobicContact CG-CG1 4.49Å
69	E	93.9	Very high	86.3	Confident	101 Å²	101	59.1 Å²	59.1	47%	0.472	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.6	171	-68.3	174.2	-177.3	0	0	108.1	L32	L32-E69 HydrophobicContact CD1-CG 3.8Å
70	T	92.3	Very high	84.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.1	173	-169	0	0	0	0	109.4	V31 I33 V57	V31-T70 HydrophobicContact CB-CG2 3.75Å; V31-T70 HydrophobicContact CG1-CG2 4.24Å; V31-T70 PolarHBondContact N-O 2.69Å; V31-T70 PolarHBondContact O-N 2.89Å; I33-T70 HydrophobicContact CD1-CG2 4.34Å; V57-T70 PolarHBondContact N-OG1 3.45Å; V57-T70 PolarHBondContact O-OG1 2.95Å
71	D	92.6	Very high	83.4	Confident	56 Å²	56	59.4 Å²	59.4	30%	0.299	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.3	174.9	-59.7	-61.5	0	0	0	108.1	T28 Q30 L55 S56	T28-D71 HydrophobicContact CG2-CB 3.73Å; Q30-D71 WeakPolarHBondContact CG-OD1 3.41Å; Q30-D71 PolarHBondContact NE2-OD1 3.11Å; L55-D71 CarbonylContact C-O 3.53Å; L55-D71 VanDerWaalsContact CA-O 3.26Å; L55-D71 WeakPolarHBondContact CA-O 3.23Å; S56-D71 PolarHBondContact N-O 2.75Å; S56-D71 PolarHBondContact OG-N 2.78Å; S56-D71 PolarHBondContact OG-OD2 2.94Å
72	I	92.1	Very high	82.2	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.2	173.6	-53.1	-179.3	0	0	0	107.4	I16 F18 C29 V31 Y53 L54 L55 F87	I16-I72 HydrophobicContact CD1-CB 4.46Å; I16-I72 HydrophobicContact CD1-CD1 3.82Å; I16-I72 HydrophobicContact CD1-CG2 4.19Å; F18-I72 VanDerWaalsContact CE1-O 3.29Å; F18-I72 WeakPolarHBondContact CE1-O 3.28Å; F18-I72 HydrophobicContact CE2-CG2 4.4Å; F18-I72 HydrophobicContact CZ-CB 4.16Å; F18-I72 HydrophobicContact CZ-CG2 3.7Å; C29-I72 PolarHBondContact N-O 2.95Å; C29-I72 PolarHBondContact O-N 2.82Å; V31-I72 HydrophobicContact CB-CD1 4.46Å; V31-I72 HydrophobicContact CG2-CD1 3.61Å; V31-I72 HydrophobicContact CG2-CG1 4.26Å; Y53-I72 HydrophobicContact CD1-CG2 3.95Å; Y53-I72 HydrophobicContact CG-CG2 4.48Å; L54-I72 WeakPolarHBondContact O-CA 3.37Å; L55-I72 HydrophobicContact CD2-CG1 4.45Å; L55-I72 HydrophobicContact CG-CG1 4.38Å; I72-F87 HydrophobicContact CD1-CD1 4.37Å; I72-F87 HydrophobicContact CD1-CE1 4.19Å; I72-F87 HydrophobicContact CD1-CZ 4.26Å; I72-F87 HydrophobicContact CG2-CE1 4.04Å; I72-F87 HydrophobicContact CG2-CE2 4.3Å; I72-F87 HydrophobicContact CG2-CZ 3.57Å
73	S	89.4	Confident	81.3	Confident	30 Å²	30	61 Å²	61	21%	0.21	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.7	174	60.9	0	0	0	0	110.8	Y53 L54	Y53-S73 CarbonylContact C-O 3.56Å; Y53-S73 VanDerWaalsContact CA-O 3.32Å; Y53-S73 WeakPolarHBondContact CA-O 3.43Å; L54-S73 WeakPolarHBondContact CB-OG 3.47Å; L54-S73 PolarHBondContact N-O 2.88Å; L54-S73 PolarHBondContact O-N 2.9Å
74	V	85.2	Confident	80.7	Confident	20 Å²	20	61.5 Å²	61.5	12%	0.121	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.4	175.1	-172.2	0	0	0	0	108.4	F18 C26 K52 Y53 I79 I109	F18-V74 HydrophobicContact CB-CG2 4Å; F18-V74 HydrophobicContact CD1-CG2 3.64Å; F18-V74 HydrophobicContact CD2-CG2 4.02Å; F18-V74 HydrophobicContact CE1-CG2 4.09Å; F18-V74 HydrophobicContact CE2-CG2 4.43Å; F18-V74 HydrophobicContact CG-CG2 3.59Å; F18-V74 HydrophobicContact CZ-CG2 4.47Å; C26-V74 HydrophobicContact CB-CB 3.79Å; C26-V74 HydrophobicContact CB-CG2 3.88Å; K52-V74 CarbonylContact O-C 3.6Å; K52-V74 WeakPolarHBondContact O-CA 3.27Å; Y53-V74 HydrophobicContact CD1-CG2 4.28Å; Y53-V74 HydrophobicContact CE1-CG2 4.04Å; V74-I79 HydrophobicContact CG1-CD1 3.92Å; V74-I79 HydrophobicContact CG1-CG1 4.41Å; V74-I109 HydrophobicContact CG1-CD1 4.17Å; V74-I109 HydrophobicContact CG2-CD1 4.01Å; V74-I109 HydrophobicContact CG2-CG1 4.47Å
75	S	77.9	Confident	80.4	Confident	36 Å²	36	58.8 Å²	58.8	25%	0.252	35%	0.35	S	S	.	.			trans	-59.3	138.7	167.6	-173.8	0	0	0	0	108.5	K52 V77	K52-S75 WeakPolarHBondContact O-CB 3.36Å; K52-S75 PolarHBondContact O-N 2.86Å; S75-V77 PolarHBondContact O-N 3.43Å
76	G	63.8	Low	80.3	Confident	83 Å²	83	58.3 Å²	58.3	86%	0.856	33%	0.333	S	S	*	.	S	Bend	trans	-62.3	34.4	-172	0	0	0	0	0	117.2
77	V	61.9	Low	80.1	Confident	68 Å²	68	54.8 Å²	54.8	41%	0.412	32%	0.316	S	S	.	.			trans	-64.5	130.1	165.6	-174.4	0	0	0	0	107.7	S75 I79	S75-V77 PolarHBondContact O-N 3.43Å; V77-I79 PolarHBondContact O-N 3.19Å
78	S	63.2	Low	80	Confident	92 Å²	92	50.3 Å²	50.3	64%	0.643	30%	0.296	S	S	*	.			trans	-53.5	104.1	170.7	56.8	0	0	0	0	109.6	T80	S78-T80 PolarHBondContact O-N 2.94Å
79	I	63.2	Low	79.9	Confident	15 Å²	15	49 Å²	49	8%	0.077	29%	0.288	C	S	.	.			trans	-74.9	105.4	173.7	-65.1	151.6	0	0	0	105.9	Y20 V74 V77 D81 I109 R111	Y20-I79 HydrophobicContact CD2-CD1 3.52Å; Y20-I79 HydrophobicContact CE2-CD1 3.78Å; V74-I79 HydrophobicContact CG1-CD1 3.92Å; V74-I79 HydrophobicContact CG1-CG1 4.41Å; V77-I79 PolarHBondContact O-N 3.19Å; I79-D81 WeakPolarHBondContact CG2-O 3.46Å; I79-I109 HydrophobicContact CD1-CD1 4.31Å; I79-I109 HydrophobicContact CD1-CG2 3.58Å; I79-I109 HydrophobicContact CG1-CD1 4.4Å; I79-I109 HydrophobicContact CG1-CG2 4.2Å; I79-I109 HydrophobicContact CG2-CG2 3.85Å; I79-R111 VanDerWaalsContact O-CZ 3.25Å; I79-R111 PolarHBondContact O-NE 2.94Å; I79-R111 VanDerWaalsContact O-NE 3.14Å; I79-R111 PolarHBondContact O-NH2 2.93Å
80	T	63.5	Low	79.9	Confident	84 Å²	84	45.6 Å²	45.6	52%	0.515	27%	0.273	S	S	.	.			trans	-80.6	-27.6	-178.7	53.5	0	0	0	0	112.8	S78 R111	S78-T80 PolarHBondContact O-N 2.94Å; T80-R111 VanDerWaalsContact C-CZ 3.43Å; T80-R111 VanDerWaalsContact CA-NH2 3.26Å; T80-R111 PolarHBondContact O-NH1 3.33Å; T80-R111 PolarHBondContact O-NH2 3.47Å
81	D	63.9	Low	79.9	Confident	102 Å²	102	45.7 Å²	45.7	55%	0.545	27%	0.273	S	S	.	.	S	Bend	trans	-146.1	160.5	-171.2	-57.9	-64.9	0	0	0	110.2	I79 T83	I79-D81 WeakPolarHBondContact CG2-O 3.46Å; D81-T83 WeakPolarHBondContact O-CG2 3.24Å; D81-T83 PolarHBondContact O-N 2.82Å
82	D	69	Low	80	Confident	86 Å²	86	45.2 Å²	45.2	46%	0.46	27%	0.268	S	S	.	.			trans	-63.2	119.9	169.4	-68.8	-13.7	0	0	0	108.4	I109 A110 R111	D82-I109 VanDerWaalsContact CA-O 3.28Å; D82-I109 WeakPolarHBondContact CA-O 3.49Å; D82-A110 WeakPolarHBondContact OD1-CA 3.39Å; D82-R111 PolarHBondContact OD1-N 2.75Å
83	T	74.3	Confident	79.9	Confident	35 Å²	35	45.6 Å²	45.6	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	-178.3	64	0	0	0	0	111.1	K52 D81 I109	K52-T83 PolarHBondContact NZ-OG1 2.77Å; D81-T83 WeakPolarHBondContact O-CG2 3.24Å; D81-T83 PolarHBondContact O-N 2.82Å; T83-I109 PolarHBondContact N-O 2.8Å; T83-I109 PolarHBondContact O-N 2.93Å
84	K	81.4	Confident	80	Confident	125 Å²	125	46.1 Å²	46.1	54%	0.543	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.8	165.4	-69.3	-173	178.6	-176.4	0	109.2	S107	K84-S107 CarbonylContact C-O 3.59Å; K84-S107 WeakPolarHBondContact CA-O 3.49Å
85	D	85.1	Confident	80	Confident	13 Å²	13	54 Å²	54	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	164.3	173.7	-66.7	-52.2	0	0	0	109.4	T48 A49 K52 Y53 S107	T48-D85 WeakPolarHBondContact OG1-CB 3.19Å; A49-D85 WeakPolarHBondContact CB-OD1 3.07Å; K52-D85 WeakPolarHBondContact CD-OD2 3.41Å; K52-D85 IonicContact NZ-OD1 3.28Å; K52-D85 PolarHBondContact NZ-OD1 2.94Å; K52-D85 IonicContact NZ-OD2 2.99Å; K52-D85 PolarHBondContact NZ-OD2 2.79Å; Y53-D85 HydrophobicContact CE2-CB 3.74Å; Y53-D85 VanDerWaalsContact CE2-OD2 3.28Å; Y53-D85 WeakPolarHBondContact CE2-OD2 3.15Å; Y53-D85 WeakPolarHBondContact OH-CB 3.38Å; Y53-D85 PolarHBondContact OH-OD2 2.85Å; D85-S107 PolarHBondContact N-O 3.07Å; D85-S107 PolarHBondContact O-N 2.83Å
86	F	88.4	Confident	80.5	Confident	46 Å²	46	57.4 Å²	57.4	20%	0.202	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143	-179	-62.9	-92.3	0	0	0	111	S47 T48 I105 C106 W128 P129	S47-F86 WeakPolarHBondContact CA-O 3.42Å; T48-F86 HydrophobicContact CG2-CB 3.91Å; T48-F86 PolarHBondContact N-O 2.84Å; T48-F86 PolarHBondContact OG1-N 2.77Å; T48-F86 PolarHBondContact OG1-O 2.91Å; F86-I105 WeakPolarHBondContact CA-O 3.41Å; F86-C106 HydrophobicContact CD1-CB 4.36Å; F86-C106 HydrophobicContact CE1-CB 4.21Å; F86-W128 HydrophobicContact CB-CE3 4.45Å; F86-W128 HydrophobicContact CB-CZ3 4.02Å; F86-P129 HydrophobicContact CD1-CG 4.26Å; F86-P129 HydrophobicContact CD2-CG 3.37Å; F86-P129 HydrophobicContact CE1-CG 4.29Å; F86-P129 HydrophobicContact CE2-CG 3.42Å; F86-P129 VanDerWaalsContact CE2-CG 3.42Å; F86-P129 HydrophobicContact CG-CG 3.82Å; F86-P129 HydrophobicContact CZ-CG 3.89Å
87	F	90.7	Very high	81.5	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.9	167.6	-62.1	-99.8	0	0	0	109.9	I16 V45 L46 Y53 L55 I72 Y104 I105	I16-F87 HydrophobicContact CD1-CD2 4.1Å; I16-F87 HydrophobicContact CD1-CE2 3.74Å; I16-F87 HydrophobicContact CD1-CZ 4.46Å; V45-F87 HydrophobicContact CG1-CD1 4.15Å; L46-F87 CarbonylContact O-C 3.56Å; L46-F87 WeakPolarHBondContact O-CA 3.25Å; Y53-F87 HydrophobicContact CD1-CE2 4.38Å; Y53-F87 AromaticContact CD1-CZ 3.69Å; Y53-F87 HydrophobicContact CD1-CZ 3.69Å; Y53-F87 HydrophobicContact CD2-CE1 4.27Å; Y53-F87 HydrophobicContact CD2-CE2 4.33Å; Y53-F87 AromaticContact CD2-CZ 3.61Å; Y53-F87 HydrophobicContact CD2-CZ 3.61Å; Y53-F87 HydrophobicContact CE1-CE2 4.26Å; Y53-F87 HydrophobicContact CE1-CZ 4.01Å; Y53-F87 HydrophobicContact CE2-CE2 4.24Å; Y53-F87 AromaticContact CE2-CZ 3.97Å; Y53-F87 HydrophobicContact CE2-CZ 3.97Å; Y53-F87 HydrophobicContact CG-CE1 4.16Å; Y53-F87 HydrophobicContact CG-CE2 4.41Å; Y53-F87 AromaticContact CG-CZ 3.47Å; Y53-F87 HydrophobicContact CG-CZ 3.47Å; Y53-F87 VanDerWaalsContact CG-CZ 3.47Å; L55-F87 HydrophobicContact CD1-CE1 4.21Å; L55-F87 HydrophobicContact CD2-CD1 4.39Å; L55-F87 HydrophobicContact CD2-CE1 4.25Å; L55-F87 HydrophobicContact CG-CE1 4.49Å; I72-F87 HydrophobicContact CD1-CD1 4.37Å; I72-F87 HydrophobicContact CD1-CE1 4.19Å; I72-F87 HydrophobicContact CD1-CZ 4.26Å; I72-F87 HydrophobicContact CG2-CE1 4.04Å; I72-F87 HydrophobicContact CG2-CE2 4.3Å; I72-F87 HydrophobicContact CG2-CZ 3.57Å; F87-Y104 VanDerWaalsContact O-CA 3.32Å; F87-Y104 WeakPolarHBondContact O-CA 3.5Å; F87-I105 HydrophobicContact CB-CB 4.16Å; F87-I105 PolarHBondContact N-O 3.08Å; F87-I105 PolarHBondContact O-N 3.11Å
88	K	92.4	Very high	82.7	Confident	32 Å²	32	54 Å²	54	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.3	174.5	174.1	176.6	-168.8	167.2	0	109.1	L46 Q90 E102 H103 Y104 W128	L46-K88 HydrophobicContact CB-CB 4.33Å; L46-K88 PolarHBondContact N-O 3.34Å; L46-K88 PolarHBondContact O-N 3.4Å; K88-Q90 HydrophobicContact CD-CG 4.18Å; K88-Q90 HydrophobicContact CG-CG 3.98Å; K88-E102 WeakPolarHBondContact CE-OE1 3.38Å; K88-E102 WeakPolarHBondContact CE-OE2 3.28Å; K88-E102 IonicContact NZ-OE1 2.77Å; K88-E102 PolarHBondContact NZ-OE1 3.37Å; K88-E102 IonicContact NZ-OE2 2.75Å; K88-E102 PolarHBondContact NZ-OE2 2.98Å; K88-H103 WeakPolarHBondContact CA-O 3.37Å; K88-Y104 HydrophobicContact CB-CD1 4.03Å; K88-Y104 HydrophobicContact CB-CE1 3.93Å; K88-Y104 HydrophobicContact CD-CE1 3.8Å; K88-Y104 HydrophobicContact CG-CD1 4.2Å; K88-Y104 HydrophobicContact CG-CE1 3.7Å; K88-Y104 PolarHBondContact NZ-OH 2.66Å; K88-W128 HydrophobicContact CB-CE3 3.86Å; K88-W128 HydrophobicContact CB-CH2 3.92Å; K88-W128 HydrophobicContact CB-CZ3 3.33Å; K88-W128 HydrophobicContact CD-CE3 4.27Å; K88-W128 HydrophobicContact CD-CZ3 4.36Å; K88-W128 HydrophobicContact CG-CZ3 4.39Å
89	I	93.2	Very high	83.9	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.5	174.9	-46.9	-174.4	0	0	0	107.6	V11 I33 F43 K44 V45 F91 E102 H103 I105	V11-I89 HydrophobicContact CG1-CD1 3.67Å; V11-I89 HydrophobicContact CG2-CD1 4.11Å; I33-I89 HydrophobicContact CD1-CD1 3.89Å; I33-I89 HydrophobicContact CD1-CG2 4.37Å; I33-I89 HydrophobicContact CG1-CD1 4.15Å; F43-I89 HydrophobicContact CB-CG2 4.49Å; K44-I89 WeakPolarHBondContact O-CA 3.39Å; V45-I89 HydrophobicContact CG1-CG1 4.31Å; V45-I89 HydrophobicContact CG2-CD1 4.46Å; V45-I89 HydrophobicContact CG2-CG1 4.24Å; V45-I89 HydrophobicContact CG2-CG2 4.32Å; I89-F91 HydrophobicContact CB-CE2 3.97Å; I89-F91 HydrophobicContact CB-CZ 4.3Å; I89-F91 HydrophobicContact CG2-CD2 4.29Å; I89-F91 HydrophobicContact CG2-CE1 4.22Å; I89-F91 HydrophobicContact CG2-CE2 3.43Å; I89-F91 VanDerWaalsContact CG2-CE2 3.43Å; I89-F91 HydrophobicContact CG2-CZ 3.37Å; I89-E102 CarbonylContact O-C 3.59Å; I89-E102 VanDerWaalsContact O-CA 3.29Å; I89-E102 WeakPolarHBondContact O-CA 3.49Å; I89-H103 HydrophobicContact CB-CB 4.43Å; I89-H103 PolarHBondContact N-O 3.18Å; I89-H103 PolarHBondContact O-N 2.89Å; I89-I105 HydrophobicContact CD1-CD1 3.9Å
90	Q	93.6	Very high	85	Confident	31 Å²	31	53.9 Å²	53.9	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.4	177.4	-61.7	-175.2	-60.6	0	0	109.3	F43 K44 K88 F92 E102	F43-Q90 CarbonylContact C-O 3.56Å; F43-Q90 VanDerWaalsContact CA-O 3.25Å; F43-Q90 WeakPolarHBondContact CA-O 3.44Å; K44-Q90 PolarHBondContact N-O 2.8Å; K44-Q90 PolarHBondContact O-N 2.83Å; K88-Q90 HydrophobicContact CD-CG 4.18Å; K88-Q90 HydrophobicContact CG-CG 3.98Å; Q90-F92 HydrophobicContact CB-CE2 3.58Å; Q90-F92 HydrophobicContact CB-CZ 3.84Å; Q90-E102 HydrophobicContact CG-CG 4.3Å; Q90-E102 PolarHBondContact NE2-OE1 2.89Å
91	F	93.7	Very high	86.3	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.2	175.5	-62.2	-90.4	0	0	0	109.5	V9 V11 I33 L41 R42 F43 I89 F100 C101 H103	V9-F91 HydrophobicContact CG1-CD1 4.17Å; V9-F91 HydrophobicContact CG1-CD2 4.28Å; V9-F91 HydrophobicContact CG1-CE1 3.6Å; V9-F91 HydrophobicContact CG1-CE2 3.72Å; V9-F91 HydrophobicContact CG1-CG 4.49Å; V9-F91 HydrophobicContact CG1-CZ 3.36Å; V9-F91 HydrophobicContact CG2-CD1 4.24Å; V9-F91 HydrophobicContact CG2-CE1 4.46Å; V9-F91 HydrophobicContact CG2-CG 4.34Å; V11-F91 HydrophobicContact CG2-CE2 4.39Å; V11-F91 HydrophobicContact CG2-CZ 4.13Å; I33-F91 HydrophobicContact CG2-CE1 3.66Å; I33-F91 HydrophobicContact CG2-CZ 3.62Å; L41-F91 HydrophobicContact CD1-CD1 4.32Å; R42-F91 CarbonylContact O-C 3.55Å; R42-F91 WeakPolarHBondContact O-CA 3.39Å; F43-F91 HydrophobicContact CB-CD1 3.7Å; F43-F91 HydrophobicContact CB-CE1 3.6Å; F43-F91 HydrophobicContact CB-CZ 4.37Å; F43-F91 HydrophobicContact CG-CE1 4.46Å; I89-F91 HydrophobicContact CB-CE2 3.97Å; I89-F91 HydrophobicContact CB-CZ 4.3Å; I89-F91 HydrophobicContact CG2-CD2 4.29Å; I89-F91 HydrophobicContact CG2-CE1 4.22Å; I89-F91 HydrophobicContact CG2-CE2 3.43Å; I89-F91 VanDerWaalsContact CG2-CE2 3.43Å; I89-F91 HydrophobicContact CG2-CZ 3.37Å; F91-F100 HydrophobicContact CB-CB 4.18Å; F91-F100 HydrophobicContact CB-CD1 4.27Å; F91-F100 PolarHBondContact O-N 3.4Å; F91-C101 VanDerWaalsContact CD2-SG 3.52Å; F91-C101 PolarHBondContact N-O 2.99Å; F91-H103 HydrophobicContact CE2-CB 4.44Å
92	F	93.4	Very high	87.6	Confident	46 Å²	46	49.6 Å²	49.6	20%	0.202	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.1	177.9	-55.9	-91.1	0	0	0	108.8	L41 R42 Q90 S94 S98 A99	L41-F92 CarbonylContact C-O 3.5Å; L41-F92 WeakPolarHBondContact CA-O 3.29Å; R42-F92 HydrophobicContact CB-CB 4.49Å; R42-F92 PolarHBondContact N-O 3.25Å; R42-F92 PolarHBondContact O-N 3.12Å; Q90-F92 HydrophobicContact CB-CE2 3.58Å; Q90-F92 HydrophobicContact CB-CZ 3.84Å; F92-S94 PolarHBondContact O-N 2.72Å; F92-S98 CarbonylContact C-O 3.6Å; F92-S98 WeakPolarHBondContact CA-O 3.38Å; F92-A99 HydrophobicContact CD1-CB 4.4Å; F92-A99 HydrophobicContact CE1-CB 4.38Å
93	D	90.9	Very high	88.5	Confident	11 Å²	11	48 Å²	48	6%	0.059	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.9	170.2	-171	-43.5	0	0	0	109.2	R39 R42 Y95 D96 G97 S98	R39-D93 WeakPolarHBondContact CD-OD2 3.29Å; R39-D93 IonicContact CZ-OD2 3.79Å; R39-D93 IonicContact NE-OD2 3.96Å; R39-D93 IonicContact NH1-OD2 2.88Å; R39-D93 PolarHBondContact NH1-OD2 3.46Å; R42-D93 PolarHBondContact NH2-O 2.8Å; D93-Y95 VanDerWaalsContact C-N 3.27Å; D93-Y95 PolarHBondContact O-N 2.87Å; D93-Y95 WeakPolarHBondContact OD1-CB 3.19Å; D93-Y95 WeakPolarHBondContact OD1-CD2 3.21Å; D93-Y95 PolarHBondContact OD1-N 3.3Å; D93-D96 VanDerWaalsContact CB-OD1 3.28Å; D93-D96 WeakPolarHBondContact CB-OD1 3.26Å; D93-G97 WeakPolarHBondContact O-CA 3.34Å; D93-G97 PolarHBondContact O-N 2.76Å; D93-S98 PolarHBondContact N-O 2.85Å
94	S	90.3	Very high	89.2	Confident	40 Å²	40	47.6 Å²	47.6	28%	0.28	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.7	-176.7	-168.7	0	0	0	0	112.7	I40 F92	I40-S94 WeakPolarHBondContact O-CB 3.43Å; I40-S94 PolarHBondContact O-N 3.29Å; F92-S94 PolarHBondContact O-N 2.72Å
95	Y	87.1	Confident	89.5	Confident	185 Å²	185	41.8 Å²	41.8	73%	0.725	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-53.7	-175.1	-68.2	-80.6	0	0	0	112.1	I40 D93	I40-Y95 HydrophobicContact CB-CE2 4.37Å; I40-Y95 HydrophobicContact CD1-CE2 4.36Å; I40-Y95 HydrophobicContact CG1-CE2 4.35Å; D93-Y95 VanDerWaalsContact C-N 3.27Å; D93-Y95 PolarHBondContact O-N 2.87Å; D93-Y95 WeakPolarHBondContact OD1-CB 3.19Å; D93-Y95 WeakPolarHBondContact OD1-CD2 3.21Å; D93-Y95 PolarHBondContact OD1-N 3.3Å
96	D	86.9	Confident	89.6	Confident	109 Å²	109	41.7 Å²	41.7	58%	0.583	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-14.1	-176.2	67	5	0	0	0	113.5	D93 S98	D93-D96 VanDerWaalsContact CB-OD1 3.28Å; D93-D96 WeakPolarHBondContact CB-OD1 3.26Å; D96-S98 VanDerWaalsContact CG-OG 3.24Å; D96-S98 PolarHBondContact O-N 3.16Å; D96-S98 VanDerWaalsContact OD1-CB 3.23Å; D96-S98 WeakPolarHBondContact OD1-CB 3.46Å; D96-S98 PolarHBondContact OD1-N 3.17Å; D96-S98 PolarHBondContact OD1-OG 2.81Å; D96-S98 PolarHBondContact OD2-OG 2.88Å; D96-S98 VanDerWaalsContact OD2-OG 3.11Å
97	G	84.6	Confident	89.5	Confident	31 Å²	31	39.5 Å²	39.5	32%	0.32	21%	0.214	S	C	.	.			trans	73.9	9.3	-175.9	0	0	0	0	0	114.7	D93	D93-G97 WeakPolarHBondContact O-CA 3.34Å; D93-G97 PolarHBondContact O-N 2.76Å
98	S	87	Confident	89.2	Confident	47 Å²	47	39.9 Å²	39.9	33%	0.329	22%	0.216	S	C	.	.			trans	-62	145.3	175.1	63.9	0	0	0	0	110.8	F92 D93 D96 F100	F92-S98 CarbonylContact C-O 3.6Å; F92-S98 WeakPolarHBondContact CA-O 3.38Å; D93-S98 PolarHBondContact N-O 2.85Å; D96-S98 VanDerWaalsContact CG-OG 3.24Å; D96-S98 PolarHBondContact O-N 3.16Å; D96-S98 VanDerWaalsContact OD1-CB 3.23Å; D96-S98 WeakPolarHBondContact OD1-CB 3.46Å; D96-S98 PolarHBondContact OD1-N 3.17Å; D96-S98 PolarHBondContact OD1-OG 2.81Å; D96-S98 PolarHBondContact OD2-OG 2.88Å; D96-S98 VanDerWaalsContact OD2-OG 3.11Å; S98-F100 PolarHBondContact O-N 2.91Å
99	A	88.8	Confident	88.5	Confident	80 Å²	80	38.4 Å²	38.4	66%	0.661	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.6	173.4	0	0	0	0	0	108.9	F92	F92-A99 HydrophobicContact CD1-CB 4.4Å; F92-A99 HydrophobicContact CE1-CB 4.38Å
100	F	87.5	Confident	87.5	Confident	25 Å²	25	38.6 Å²	38.6	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-59.5	-176.9	-176.7	-99	0	0	0	111.1	P5 E8 V9 L41 F91 S98	P5-F100 HydrophobicContact CB-CD1 4.28Å; P5-F100 HydrophobicContact CB-CD2 4.46Å; P5-F100 HydrophobicContact CB-CE1 3.78Å; P5-F100 HydrophobicContact CB-CE2 3.99Å; P5-F100 HydrophobicContact CB-CZ 3.62Å; P5-F100 WeakPolarHBondContact O-CE1 3.36Å; E8-F100 HydrophobicContact CB-CE1 4.18Å; E8-F100 HydrophobicContact CB-CZ 4Å; E8-F100 HydrophobicContact CG-CZ 4.46Å; E8-F100 WeakPolarHBondContact OE2-CZ 3.35Å; V9-F100 HydrophobicContact CG2-CD1 4.34Å; V9-F100 HydrophobicContact CG2-CE1 4.02Å; L41-F100 HydrophobicContact CD1-CD1 3.94Å; L41-F100 HydrophobicContact CD1-CE1 4.04Å; L41-F100 HydrophobicContact CD2-CB 4.21Å; L41-F100 HydrophobicContact CD2-CD1 4.04Å; L41-F100 HydrophobicContact CD2-CD2 4.1Å; L41-F100 HydrophobicContact CD2-CE1 4.5Å; L41-F100 HydrophobicContact CD2-CG 3.83Å; F91-F100 HydrophobicContact CB-CB 4.18Å; F91-F100 HydrophobicContact CB-CD1 4.27Å; F91-F100 PolarHBondContact O-N 3.4Å; S98-F100 PolarHBondContact O-N 2.91Å
101	C	90	Very high	86.2	Confident	19 Å²	19	43.4 Å²	43.4	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	172.5	175	73.3	0	0	0	0	111.4	P5 F91	P5-C101 HydrophobicContact CB-CB 4.4Å; F91-C101 VanDerWaalsContact CD2-SG 3.52Å; F91-C101 PolarHBondContact N-O 2.99Å
102	E	90.6	Very high	84.6	Confident	77 Å²	77	46.9 Å²	46.9	36%	0.36	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.4	175	-55.1	-172.3	141	0	0	110	K88 I89 Q90 Y104	K88-E102 WeakPolarHBondContact CE-OE1 3.38Å; K88-E102 WeakPolarHBondContact CE-OE2 3.28Å; K88-E102 IonicContact NZ-OE1 2.77Å; K88-E102 PolarHBondContact NZ-OE1 3.37Å; K88-E102 IonicContact NZ-OE2 2.75Å; K88-E102 PolarHBondContact NZ-OE2 2.98Å; I89-E102 CarbonylContact O-C 3.59Å; I89-E102 VanDerWaalsContact O-CA 3.29Å; I89-E102 WeakPolarHBondContact O-CA 3.49Å; Q90-E102 HydrophobicContact CG-CG 4.3Å; Q90-E102 PolarHBondContact NE2-OE1 2.89Å; E102-Y104 PolarHBondContact OE2-OH 3.17Å
103	H	88	Confident	82.8	Confident	52 Å²	52	48.9 Å²	48.9	24%	0.241	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.8	173.6	-154	82.6	0	0	0	110.3	V11 K88 I89 F91	V11-H103 HydrophobicContact CB-CB 4.45Å; V11-H103 VanDerWaalsContact CB-CD2 3.45Å; V11-H103 WeakPolarHBondContact CB-CD2 3.28Å; V11-H103 HydrophobicContact CG2-CB 4Å; K88-H103 WeakPolarHBondContact CA-O 3.37Å; I89-H103 HydrophobicContact CB-CB 4.43Å; I89-H103 PolarHBondContact N-O 3.18Å; I89-H103 PolarHBondContact O-N 2.89Å; F91-H103 HydrophobicContact CE2-CB 4.44Å
104	Y	89.1	Confident	81	Confident	28 Å²	28	52.3 Å²	52.3	11%	0.11	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.3	-178	-60	-77.2	0	0	0	110.3	F87 K88 E102 C125 W128	F87-Y104 VanDerWaalsContact O-CA 3.32Å; F87-Y104 WeakPolarHBondContact O-CA 3.5Å; K88-Y104 HydrophobicContact CB-CD1 4.03Å; K88-Y104 HydrophobicContact CB-CE1 3.93Å; K88-Y104 HydrophobicContact CD-CE1 3.8Å; K88-Y104 HydrophobicContact CG-CD1 4.2Å; K88-Y104 HydrophobicContact CG-CE1 3.7Å; K88-Y104 PolarHBondContact NZ-OH 2.66Å; E102-Y104 PolarHBondContact OE2-OH 3.17Å; Y104-C125 WeakPolarHBondContact CB-O 3.44Å; Y104-W128 HydrophobicContact CD1-CB 4.48Å; Y104-W128 AromaticContact CD1-CE3 3.52Å; Y104-W128 HydrophobicContact CD1-CE3 3.52Å; Y104-W128 HydrophobicContact CD1-CZ3 4.17Å; Y104-W128 HydrophobicContact CE1-CB 3.67Å; Y104-W128 AromaticContact CE1-CD2 3.99Å; Y104-W128 HydrophobicContact CE1-CD2 3.99Å; Y104-W128 AromaticContact CE1-CE3 3.34Å; Y104-W128 HydrophobicContact CE1-CE3 3.34Å; Y104-W128 HydrophobicContact CE1-CG 4.2Å; Y104-W128 HydrophobicContact CE1-CZ3 4.22Å
105	I	87.9	Confident	79	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.1	172.7	-54.7	173.5	0	0	0	107.7	V11 S14 I16 V31 F86 F87 I89	V11-I105 HydrophobicContact CG1-CD1 3.73Å; V11-I105 HydrophobicContact CG1-CG1 4.1Å; S14-I105 VanDerWaalsContact O-CA 3.27Å; S14-I105 WeakPolarHBondContact O-CA 3.29Å; I16-I105 HydrophobicContact CD1-CG2 4.2Å; I16-I105 HydrophobicContact CG1-CG2 4.06Å; I16-I105 HydrophobicContact CG2-CG2 4.02Å; V31-I105 HydrophobicContact CB-CD1 4.4Å; V31-I105 HydrophobicContact CG1-CD1 3.51Å; V31-I105 HydrophobicContact CG2-CD1 4Å; F86-I105 WeakPolarHBondContact CA-O 3.41Å; F87-I105 HydrophobicContact CB-CB 4.16Å; F87-I105 PolarHBondContact N-O 3.08Å; F87-I105 PolarHBondContact O-N 3.11Å; I89-I105 HydrophobicContact CD1-CD1 3.9Å
106	C	87.7	Confident	77	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.081	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.5	170.5	-169.8	0	0	0	0	110.1	S14 N15 I16 F86 C125	S14-C106 PolarHBondContact O-N 2.85Å; N15-C106 CarbonylContact C-O 3.56Å; N15-C106 WeakPolarHBondContact CA-O 3.41Å; N15-C106 WeakPolarHBondContact OD1-CB 3.45Å; I16-C106 WeakPolarHBondContact CG1-O 3.43Å; I16-C106 PolarHBondContact N-O 3.05Å; F86-C106 HydrophobicContact CD1-CB 4.36Å; F86-C106 HydrophobicContact CE1-CB 4.21Å; C106-C125 VanDerWaalsContact CB-SG 3.55Å
107	S	86.5	Confident	74.8	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.8	172.9	176.9	0	0	0	0	109.8	I16 F18 Y53 K84 D85	I16-S107 WeakPolarHBondContact O-CA 3.32Å; F18-S107 WeakPolarHBondContact CD2-OG 3.34Å; F18-S107 VanDerWaalsContact CE2-OG 3.25Å; F18-S107 WeakPolarHBondContact CE2-OG 3.32Å; Y53-S107 PolarHBondContact OH-OG 3.07Å; K84-S107 CarbonylContact C-O 3.59Å; K84-S107 WeakPolarHBondContact CA-O 3.49Å; D85-S107 PolarHBondContact N-O 3.07Å; D85-S107 PolarHBondContact O-N 2.83Å
108	T	83.5	Confident	72.5	Confident	8 Å²	8	51.8 Å²	51.8	5%	0.049	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.4	172	-58	0	0	0	0	108.7	I16 F17 F18 I119	I16-T108 PolarHBondContact O-N 3.43Å; F17-T108 WeakPolarHBondContact CA-O 3.45Å; F17-T108 HydrophobicContact CD1-CG2 4.37Å; F17-T108 HydrophobicContact CE1-CG2 4.47Å; F18-T108 PolarHBondContact N-O 3.14Å; T108-I119 HydrophobicContact CG2-CD1 3.97Å
109	I	79.1	Confident	70.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.3	168.9	-52	-179.2	0	0	0	106.8	F18 Y53 V74 I79 D82 T83	F18-I109 HydrophobicContact CB-CB 4.41Å; F18-I109 HydrophobicContact CB-CG1 4.08Å; F18-I109 HydrophobicContact CB-CG2 4.3Å; F18-I109 HydrophobicContact CD2-CG1 4.14Å; F18-I109 HydrophobicContact CG-CG1 4.47Å; Y53-I109 HydrophobicContact CE1-CD1 4.28Å; V74-I109 HydrophobicContact CG1-CD1 4.17Å; V74-I109 HydrophobicContact CG2-CD1 4.01Å; V74-I109 HydrophobicContact CG2-CG1 4.47Å; I79-I109 HydrophobicContact CD1-CD1 4.31Å; I79-I109 HydrophobicContact CD1-CG2 3.58Å; I79-I109 HydrophobicContact CG1-CD1 4.4Å; I79-I109 HydrophobicContact CG1-CG2 4.2Å; I79-I109 HydrophobicContact CG2-CG2 3.85Å; D82-I109 VanDerWaalsContact CA-O 3.28Å; D82-I109 WeakPolarHBondContact CA-O 3.49Å; T83-I109 PolarHBondContact N-O 2.8Å; T83-I109 PolarHBondContact O-N 2.93Å
110	A	72.3	Confident	68.2	Low	5 Å²	5	53.9 Å²	53.9	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.7	179.3	0	0	0	0	0	110.3	F18 Y20 D82 N112	F18-A110 PolarHBondContact O-N 3.28Å; F18-A110 VanDerWaalsContact O-N 3.07Å; Y20-A110 PolarHBondContact N-O 2.83Å; D82-A110 WeakPolarHBondContact OD1-CA 3.39Å; A110-N112 VanDerWaalsContact C-N 3.33Å
111	R	65.7	Low	65.8	Low	133 Å²	133	59.6 Å²	59.6	50%	0.502	32%	0.324	S	S	.	.	S	Bend	trans	-74	-25.4	172.7	-78.9	178.6	164.7	-173.6	-7	113.1	I79 T80 D82	I79-R111 VanDerWaalsContact O-CZ 3.25Å; I79-R111 PolarHBondContact O-NE 2.94Å; I79-R111 VanDerWaalsContact O-NE 3.14Å; I79-R111 PolarHBondContact O-NH2 2.93Å; T80-R111 VanDerWaalsContact C-CZ 3.43Å; T80-R111 VanDerWaalsContact CA-NH2 3.26Å; T80-R111 PolarHBondContact O-NH1 3.33Å; T80-R111 PolarHBondContact O-NH2 3.47Å; D82-R111 PolarHBondContact OD1-N 2.75Å
112	N	59.2	Low	63.1	Low	74 Å²	74	61.8 Å²	61.8	40%	0.396	34%	0.34	S	S	.	.			trans	-119.4	117.2	-177.5	-167.7	-18.6	0	0	0	110.8	A110 S114 H115	A110-N112 VanDerWaalsContact C-N 3.33Å; N112-S114 PolarHBondContact ND2-OG 3.35Å; N112-S114 PolarHBondContact O-N 3.42Å; N112-S114 VanDerWaalsContact O-N 3.08Å; N112-S114 PolarHBondContact OD1-N 3.38Å; N112-S114 VanDerWaalsContact OD1-N 3.11Å; N112-S114 PolarHBondContact OD1-OG 3.18Å; N112-H115 PolarHBondContact O-N 2.87Å
113	P	56.3	Low	60.7	Low	89 Å²	89	65.9 Å²	65.9	58%	0.578	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63	-16.9	-179.9	24.9	-33.5	0	0	0	113.5	N116	P113-N116 WeakPolarHBondContact CA-ND2 3.48Å; P113-N116 WeakPolarHBondContact O-CB 3.19Å; P113-N116 PolarHBondContact O-ND2 3.23Å
114	S	53.6	Low	58.5	Low	82 Å²	82	67.6 Å²	67.6	57%	0.573	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-76.4	-16.6	178	60.3	0	0	0	0	114.6	N112 N116	N112-S114 PolarHBondContact ND2-OG 3.35Å; N112-S114 PolarHBondContact O-N 3.42Å; N112-S114 VanDerWaalsContact O-N 3.08Å; N112-S114 PolarHBondContact OD1-N 3.38Å; N112-S114 VanDerWaalsContact OD1-N 3.11Å; N112-S114 PolarHBondContact OD1-OG 3.18Å; S114-N116 PolarHBondContact O-N 3.28Å
115	H	47.5	Very low	56.6	Low	122 Å²	122	68.1 Å²	68.1	57%	0.565	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-78.4	-4	175	-94.8	-76.9	0	0	0	113.9	N112 V117	N112-H115 PolarHBondContact O-N 2.87Å; H115-V117 VanDerWaalsContact C-N 3.34Å; H115-V117 PolarHBondContact O-N 3.04Å
116	N	44.6	Very low	54.7	Low	26 Å²	26	72 Å²	72	14%	0.139	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-72.1	-18.8	-170.9	-73.5	-33.2	0	0	0	115.3	H19 P113 S114 A118	H19-N116 PolarHBondContact CE1-ND2 3.32Å; P113-N116 WeakPolarHBondContact CA-ND2 3.48Å; P113-N116 WeakPolarHBondContact O-CB 3.19Å; P113-N116 PolarHBondContact O-ND2 3.23Å; S114-N116 PolarHBondContact O-N 3.28Å; N116-A118 VanDerWaalsContact C-N 3.33Å; N116-A118 PolarHBondContact O-N 3.22Å
117	V	40.6	Very low	52.8	Low	118 Å²	118	76.3 Å²	76.3	72%	0.715	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-73.7	-24.8	-170.4	-175.1	0	0	0	0	112.4	H115	H115-V117 VanDerWaalsContact C-N 3.34Å; H115-V117 PolarHBondContact O-N 3.04Å
118	A	37.4	Very low	51.1	Low	89 Å²	89	80.4 Å²	80.4	74%	0.736	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-93.2	-7.7	-173.3	0	0	0	0	0	115.2	N116	N116-A118 VanDerWaalsContact C-N 3.33Å; N116-A118 PolarHBondContact O-N 3.22Å
119	I	43.6	Very low	49.2	Very low	40 Å²	40	82.7 Å²	82.7	21%	0.205	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-14.2	-174.5	-55	175.5	0	0	0	111.8	F17 T108 D121	F17-I119 HydrophobicContact CE1-CB 4.1Å; F17-I119 HydrophobicContact CE1-CG2 3.9Å; F17-I119 HydrophobicContact CZ-CB 4.4Å; F17-I119 HydrophobicContact CZ-CG2 4.11Å; T108-I119 HydrophobicContact CG2-CD1 3.97Å; I119-D121 PolarHBondContact O-N 3.28Å
120	Q	41.5	Very low	47.5	Very low	130 Å²	130	86.3 Å²	86.3	61%	0.607	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.6	-177.2	-77.6	-174.7	-24.2	0	0	114.5	F17 S122	F17-Q120 HydrophobicContact CZ-CG 4.43Å; Q120-S122 PolarHBondContact O-N 2.99Å
121	D	36.5	Very low	45.7	Very low	145 Å²	145	97 Å²	97	78%	0.775	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	9.5	-176.2	-68.6	-22.1	0	0	0	114.8	I119 D123	I119-D121 PolarHBondContact O-N 3.28Å; D121-D123 PolarHBondContact O-N 2.75Å; D121-D123 VanDerWaalsContact O-N 3.08Å
122	S	34.2	Very low	44.2	Very low	66 Å²	66	99.7 Å²	99.7	46%	0.462	55%	0.55	S	S	.	.			trans	-86.6	74.9	178	-52	0	0	0	0	111.3	Q120 S124	Q120-S122 PolarHBondContact O-N 2.99Å; S122-S124 PolarHBondContact O-N 2.98Å
123	D	39.4	Very low	43.2	Very low	162 Å²	162	104.2 Å²	104.2	87%	0.866	57%	0.568	S	S	*	*			trans	-68.6	16.3	-174.9	-111.9	-12.4	0	0	0	116.1	D121	D121-D123 PolarHBondContact O-N 2.75Å; D121-D123 VanDerWaalsContact O-N 3.08Å
124	S	42.8	Very low	42.2	Very low	89 Å²	89	104.8 Å²	104.8	62%	0.622	57%	0.566	S	S	*	*			trans	-156.4	90.6	174.8	69.3	0	0	0	0	114	S122 S126	S122-S124 PolarHBondContact O-N 2.98Å; S124-S126 PolarHBondContact O-N 2.84Å; S124-S126 VanDerWaalsContact O-N 3.15Å
125	C	48.3	Very low	41.2	Very low	38 Å²	38	107.1 Å²	107.1	26%	0.257	58%	0.577	S	S	.	*			trans	-81.3	63.4	150.4	-74.5	0	0	0	0	109.1	Y104 C106 T127	Y104-C125 WeakPolarHBondContact CB-O 3.44Å; C106-C125 VanDerWaalsContact CB-SG 3.55Å; C125-T127 VanDerWaalsContact C-N 3.33Å
126	S	48.7	Very low	40.5	Very low	85 Å²	85	104.6 Å²	104.6	59%	0.594	58%	0.584	S	S	*	*			trans	-82	-15	-179.8	53.3	0	0	0	0	112.7	S124	S124-S126 PolarHBondContact O-N 2.84Å; S124-S126 VanDerWaalsContact O-N 3.15Å
127	T	47	Very low	40	Very low	102 Å²	102	110.2 Å²	110.2	63%	0.626	61%	0.613	S	S	*	*	S	Bend	trans	-131.9	137.3	-175.1	55	0	0	0	0	111.6	C125	C125-T127 VanDerWaalsContact C-N 3.33Å
128	W	51.5	Low	39.4	Very low	86 Å²	86	109.5 Å²	109.5	33%	0.326	61%	0.613	S	S	.	*			trans	-55.7	140.7	162.8	-167.7	-107	0	0	0	109.3	T48 F86 K88 Y104 S130	T48-W128 HydrophobicContact CG2-CH2 3.59Å; T48-W128 HydrophobicContact CG2-CZ2 3.73Å; T48-W128 HydrophobicContact CG2-CZ3 4.28Å; F86-W128 HydrophobicContact CB-CE3 4.45Å; F86-W128 HydrophobicContact CB-CZ3 4.02Å; K88-W128 HydrophobicContact CB-CE3 3.86Å; K88-W128 HydrophobicContact CB-CH2 3.92Å; K88-W128 HydrophobicContact CB-CZ3 3.33Å; K88-W128 HydrophobicContact CD-CE3 4.27Å; K88-W128 HydrophobicContact CD-CZ3 4.36Å; K88-W128 HydrophobicContact CG-CZ3 4.39Å; Y104-W128 HydrophobicContact CD1-CB 4.48Å; Y104-W128 AromaticContact CD1-CE3 3.52Å; Y104-W128 HydrophobicContact CD1-CE3 3.52Å; Y104-W128 HydrophobicContact CD1-CZ3 4.17Å; Y104-W128 HydrophobicContact CE1-CB 3.67Å; Y104-W128 AromaticContact CE1-CD2 3.99Å; Y104-W128 HydrophobicContact CE1-CD2 3.99Å; Y104-W128 AromaticContact CE1-CE3 3.34Å; Y104-W128 HydrophobicContact CE1-CE3 3.34Å; Y104-W128 HydrophobicContact CE1-CG 4.2Å; Y104-W128 HydrophobicContact CE1-CZ3 4.22Å; W128-S130 PolarHBondContact O-N 3.49Å
129	P	44.2	Very low	39	Very low	56 Å²	56	112 Å²	112	36%	0.364	62%	0.62	S	S	.	*			trans	-52.4	114.1	175.7	-23.1	31.5	0	0	0	109.7	F86	F86-P129 HydrophobicContact CD1-CG 4.26Å; F86-P129 HydrophobicContact CD2-CG 3.37Å; F86-P129 HydrophobicContact CE1-CG 4.29Å; F86-P129 HydrophobicContact CE2-CG 3.42Å; F86-P129 VanDerWaalsContact CE2-CG 3.42Å; F86-P129 HydrophobicContact CG-CG 3.82Å; F86-P129 HydrophobicContact CZ-CG 3.89Å
130	S	42.6	Very low	38.4	Very low	76 Å²	76	115.7 Å²	115.7	53%	0.531	65%	0.649	S	S	.	*			trans	-72.4	146.3	171.9	72.5	0	0	0	0	107.9	W128 Y132	W128-S130 PolarHBondContact O-N 3.49Å; S130-Y132 PolarHBondContact O-N 2.73Å
131	R	34	Very low	38.1	Very low	229 Å²	229	113.1 Å²	113.1	86%	0.864	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-0.3	-174	-72.8	179.6	-82.3	-177.2	-4.2	115.9
132	Y	35.5	Very low	37.9	Very low	190 Å²	190	114.4 Å²	114.4	75%	0.745	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-16.1	-169.2	-84.8	-84.2	0	0	0	115.3	S130	S130-Y132 PolarHBondContact O-N 2.73Å
133	H	37.7	Very low	38	Very low	169 Å²	169	121.7 Å²	121.7	78%	0.782	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-88.5	-5.2	177.5	-79.3	-70.5	0	0	0	114.7	V135	H133-V135 VanDerWaalsContact C-N 3.31Å; H133-V135 PolarHBondContact O-N 2.82Å
134	D	34.1	Very low	37.9	Very low	100 Å²	100	118.4 Å²	118.4	54%	0.535	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-85.1	5.6	179.2	-80.2	-17.6	0	0	0	114.1	G136	D134-G136 PolarHBondContact O-N 2.83Å
135	V	34.5	Very low	37.4	Very low	132 Å²	132	117.6 Å²	117.6	80%	0.8	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-75.1	-8.4	-178.2	-170.4	0	0	0	0	112.7	H133	H133-V135 VanDerWaalsContact C-N 3.31Å; H133-V135 PolarHBondContact O-N 2.82Å
136	G	32.8	Very low	36.8	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-109.2	-6.6	-178.8	0	0	0	0	0	116.5	D134	D134-G136 PolarHBondContact O-N 2.83Å
137	L	33.2	Very low	36.3	Very low	143 Å²	143	120.5 Å²	120.5	75%	0.749	67%	0.666	S	S	*	*	S	Bend	trans	-112.7	86.1	-175.2	-76.4	162.3	0	0	0	110.4
138	S	27.1	Very low	35.7	Very low	103 Å²	103	120.8 Å²	120.8	72%	0.72	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	131.6	177.5	52.4	0	0	0	0	113
139	T	29.8	Very low	34.9	Very low	142 Å²	142	127 Å²	127	87%	0.871	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.6	6.8	153.1	71.7	0	0	0	0	122.7
140	S	31	Very low	34.4	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	71%	0.705	S	S	*	*			trans	-144.7	42.7	178.8	70.2	0	0	0	0	118.5
141	S	35	Very low	34.2	Very low	75 Å²	75	129.1 Å²	129.1	52%	0.524	70%	0.702	S	S	.	*			trans	-143.3	81.4	177	-173.7	0	0	0	0	114	T144	S141-T144 PolarHBondContact OG-OG1 3.06Å
142	L	33.2	Very low	34	Very low	172 Å²	172	122 Å²	122	90%	0.901	70%	0.699	S	S	*	*	S	Bend	trans	-108.1	2.6	163.2	-94.3	158.7	0	0	0	112.2
143	R	36.4	Very low	33.9	Very low	219 Å²	219	118.4 Å²	118.4	83%	0.826	70%	0.702	S	S	*	*			trans	-99.9	-7.4	-167.5	-82.3	-173.1	175.9	138.1	4.4	116	A145 S146	R143-A145 VanDerWaalsContact C-N 3.29Å; R143-A145 PolarHBondContact O-N 3.46Å; R143-S146 PolarHBondContact O-OG 2.72Å
144	T	35.9	Very low	33.7	Very low	94 Å²	94	116.8 Å²	116.8	58%	0.577	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-77.6	-8.3	178	23.8	0	0	0	0	114.1	S141 S146	S141-T144 PolarHBondContact OG-OG1 3.06Å; T144-S146 VanDerWaalsContact C-N 3.34Å; T144-S146 PolarHBondContact O-N 3.21Å
145	A	33.7	Very low	33.6	Very low	71 Å²	71	119.5 Å²	119.5	59%	0.587	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-78.4	-6.5	-176.7	0	0	0	0	0	115.7	R143	R143-A145 VanDerWaalsContact C-N 3.29Å; R143-A145 PolarHBondContact O-N 3.46Å
146	S	35.1	Very low	33.3	Very low	86 Å²	86	117 Å²	117	60%	0.601	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-95.1	-7.3	-172	52	0	0	0	0	115.3	R143 T144	R143-S146 PolarHBondContact O-OG 2.72Å; T144-S146 VanDerWaalsContact C-N 3.34Å; T144-S146 PolarHBondContact O-N 3.21Å
147	L	38.1	Very low	33.2	Very low	98 Å²	98	118.7 Å²	118.7	51%	0.513	71%	0.713	S	S	.	*	S	Bend	trans	-90.7	-13.2	-174.2	-77	164.7	0	0	0	114.9
148	S	34.3	Very low	33.1	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	72%	0.717	S	S	*	*	S	Bend	trans	-89.1	-9.6	177.2	48.9	0	0	0	0	114.5
149	R	34.2	Very low	33.1	Very low	218 Å²	218	124.8 Å²	124.8	82%	0.823	72%	0.724	S	S	*	*	S	Bend	trans	-100.4	-2.4	-175.1	-73.6	-174.2	-169.6	159.3	4.1	115.8	F151	R149-F151 VanDerWaalsContact C-N 3.27Å; R149-F151 PolarHBondContact O-N 3.28Å; R149-F151 VanDerWaalsContact O-N 3.17Å
150	A	33.6	Very low	33.1	Very low	68 Å²	68	128.9 Å²	128.9	56%	0.562	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	9.7	-170.8	0	0	0	0	0	116.1
151	F	38.5	Very low	32.9	Very low	108 Å²	108	129.1 Å²	129.1	47%	0.474	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.7	4.1	-177.7	-75.4	-80.1	0	0	0	115.4	R149 S153	R149-F151 VanDerWaalsContact C-N 3.27Å; R149-F151 PolarHBondContact O-N 3.28Å; R149-F151 VanDerWaalsContact O-N 3.17Å; F151-S153 PolarHBondContact O-N 3.39Å; F151-S153 VanDerWaalsContact O-N 3.16Å
152	G	30.7	Very low	32.7	Very low	78 Å²	78	132.7 Å²	132.7	80%	0.804	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-4.1	176.8	0	0	0	0	0	115.5
153	S	33	Very low	32.4	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	15.3	-176.9	96.5	0	0	0	0	115.2	F151	F151-S153 PolarHBondContact O-N 3.39Å; F151-S153 VanDerWaalsContact O-N 3.16Å
154	L	34.7	Very low	31.9	Very low	135 Å²	135	123.1 Å²	123.1	71%	0.707	72%	0.719	S	S	*	*	S	Bend	trans	-115.1	5.1	177.6	-90	155.4	0	0	0	113.5
155	I	31.3	Very low	31.7	Very low	158 Å²	158	128.2 Å²	128.2	81%	0.81	73%	0.734	S	S	*	*	S	Bend	trans	-113.4	89.8	176.6	-55.2	171.1	0	0	0	106.5
156	G	27.9	Very low	31.4	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	74%	0.742	S	S	*	*			trans	147.6	68.2	176.4	0	0	0	0	0	114.7
157	S	31.4	Very low	31	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	76%	0.756	S	S	*	*			trans	177.1	92.2	147.7	-175.1	0	0	0	0	106.4
158	E	30.4	Very low	30.6	Very low	177 Å²	177	138.2 Å²	138.2	83%	0.827	77%	0.769	S	S	*	*				92.9	109.2	84.6	-162.4	172.7	-161.8	0	0	112.2
159	K	27.8	Very low	30.2	Very low	197 Å²	197	138 Å²	138	86%	0.857	77%	0.767	S	S	*	*			trans	-5.3	120.5	158.6	-63.8	169.9	177.2	176.3	0	117
160	R	29.6	Very low	29.9	Very low	227 Å²	227	136 Å²	136	86%	0.857	77%	0.772	S	S	*	*				-176	138.2	124.1	-105.2	172.6	-165.5	161.1	5.5	112.3
161	P	26.3	Very low	29.6	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	78%	0.777	S	S	*	*			trans	-91.3	122.1	171.5	34	-25.5	0	0	0	109.4
162	I	31.5	Very low	29	Very low	150 Å²	150	145 Å²	145	77%	0.769	80%	0.797	S	S	*	*			trans	-138.6	100.9	165.9	-57.7	-179.3	0	0	0	109.6
163	A	26.6	Very low	28.9	Very low	82 Å²	82	146 Å²	146	68%	0.678	79%	0.788	S	S	*	*			trans	31.1	123.8	135.5	0	0	0	0	0	120.2
164	S	26.5	Very low	28.7	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	79%	0.792	S	S	*	*			trans	46.4	104.4	135.3	64.7	0	0	0	0	117.9
165	K	31.3	Very low	28.3	Very low	202 Å²	202	150.2 Å²	150.2	88%	0.878	80%	0.802	S	S	*	*			trans	-154.1	103.5	141.3	-108.8	162	-171.6	-178.4	0	110.9
166	T	27.8	Very low	28.2	Very low	123 Å²	123	149.7 Å²	149.7	76%	0.755	81%	0.806	S	S	*	*			trans	47.1	99	141	-27.1	0	0	0	0	117.8	S168	T166-S168 PolarHBondContact O-N 3.42Å
167	Y	26.2	Very low	28.1	Very low	229 Å²	229	149.2 Å²	149.2	90%	0.898	80%	0.801	S	S	*	*			trans	-61.1	106.2	155.1	-74.6	-92	0	0	0	109.4	S169	Y167-S169 PolarHBondContact O-N 3.33Å
168	S	28.4	Very low	27.9	Very low	113 Å²	113	153.1 Å²	153.1	79%	0.79	81%	0.812	S	S	*	*			trans	-80.7	108.1	153.6	24.4	0	0	0	0	107.8	T166 L170	T166-S168 PolarHBondContact O-N 3.42Å; S168-L170 PolarHBondContact O-N 3.14Å
169	S	25.9	Very low	27.7	Very low	103 Å²	103	149 Å²	149	72%	0.72	80%	0.803	S	S	*	*			trans	-32.6	122	164	50.8	0	0	0	0	113.5	Y167	Y167-S169 PolarHBondContact O-N 3.33Å
170	L	28.8	Very low	27.7	Very low	177 Å²	177	146.8 Å²	146.8	93%	0.927	80%	0.8	S	S	*	*			trans	-87.3	110.3	143.1	-138.6	94.6	0	0	0	106.1	S168 R172	S168-L170 PolarHBondContact O-N 3.14Å; L170-R172 PolarHBondContact O-N 2.88Å
171	D	26.5	Very low	27.7	Very low	123 Å²	123	142.7 Å²	142.7	66%	0.658	80%	0.8	S	S	*	*			trans	-58.8	128.1	-171.2	-152.9	-24.3	0	0	0	111.5	T173	D171-T173 PolarHBondContact O-N 2.67Å; D171-T173 PolarHBondContact OD1-OG1 2.65Å
172	R	27.2	Very low	27.6	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	81%	0.805	S	S	*	*			trans	-99.6	66.1	-179.2	-157.9	-178.2	-165	170.4	4.7	107	L170	L170-R172 PolarHBondContact O-N 2.88Å
173	T	28	Very low	27.5	Very low	99 Å²	99	143.9 Å²	143.9	61%	0.607	80%	0.8	S	S	*	*			trans	-146.1	70.5	179.6	47	0	0	0	0	111.3	D171	D171-T173 PolarHBondContact O-N 2.67Å; D171-T173 PolarHBondContact OD1-OG1 2.65Å
174	K	29.1	Very low	27.5	Very low	204 Å²	204	145.8 Å²	145.8	89%	0.887	80%	0.803	S	S	*	*			trans	-166.6	51.8	152.4	-105.3	165.4	-168.4	-175.3	0	110.9
175	C	27.1	Very low	27.5	Very low	135 Å²	135	147 Å²	147	91%	0.912	81%	0.806	S	S	*	*			trans	-112.1	64.7	158.7	-63.9	0	0	0	0	107.8
176	V	28	Very low	27.2	Very low	147 Å²	147	146.2 Å²	146.2	89%	0.891	80%	0.803	S	S	*	*			trans	-135.6	105	167.2	179.9	0	0	0	0	104.8
177	G	26.2	Very low	27.1	Very low	68 Å²	68	144.8 Å²	144.8	70%	0.701	80%	0.803	S	S	*	*			trans	157	28.5	-175.3	0	0	0	0	0	115.2	S179	G177-S179 PolarHBondContact O-N 3.06Å; G177-S179 VanDerWaalsContact O-N 3.14Å
178	L	26.3	Very low	27.1	Very low	187 Å²	187	141.5 Å²	141.5	98%	0.979	80%	0.796	S	S	*	*			trans	-76.1	83.4	157.7	-104.1	153	0	0	0	107.2
179	S	26.9	Very low	27	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	80%	0.797	S	S	*	*			trans	-162.9	124.8	155.7	55.9	0	0	0	0	110.9	G177	G177-S179 PolarHBondContact O-N 3.06Å; G177-S179 VanDerWaalsContact O-N 3.14Å
180	N	26.9	Very low	27.3	Very low	149 Å²	149	147 Å²	147	80%	0.797	80%	0.799	S	S	*	*			trans	64.3	81.6	152.6	-57.1	-14.7	0	0	0	119.6
181	V	29.7	Very low	27.2	Very low	141 Å²	141	149.9 Å²	149.9	86%	0.855	80%	0.798	S	S	*	*			trans	-142	59	137.3	-163.5	0	0	0	0	110.3
182	F	25.4	Very low	27.5	Very low	202 Å²	202	149 Å²	149	89%	0.886	80%	0.801	S	S	*	*			trans	-89.3	95.2	144.6	-83.3	-83	0	0	0	106	T184	F182-T184 VanDerWaalsContact C-N 3.35Å; F182-T184 PolarHBondContact O-N 3.17Å
183	S	29.5	Very low	27.5	Very low	97 Å²	97	145 Å²	145	68%	0.678	80%	0.798	S	S	*	*			trans	-81.6	94.6	160.5	51.2	0	0	0	0	107.9	V185	S183-V185 PolarHBondContact O-N 3.07Å
184	T	26.1	Very low	27.4	Very low	121 Å²	121	145.7 Å²	145.7	74%	0.742	81%	0.807	S	S	*	*			trans	-49.9	101.1	155	16.7	0	0	0	0	108.9	F182 K186	F182-T184 VanDerWaalsContact C-N 3.35Å; F182-T184 PolarHBondContact O-N 3.17Å; T184-K186 PolarHBondContact O-N 3.45Å
185	V	26.9	Very low	27.4	Very low	135 Å²	135	140.9 Å²	140.9	82%	0.818	80%	0.799	S	S	*	*			trans	-91	89.5	155.8	-175.4	0	0	0	0	106.7	S183	S183-V185 PolarHBondContact O-N 3.07Å
186	K	25.1	Very low	27.3	Very low	184 Å²	184	140.6 Å²	140.6	80%	0.8	79%	0.793	S	S	*	*			trans	-91.9	151.7	160.5	-87.9	-175.4	175.3	176.9	0	108.8	T184	T184-K186 PolarHBondContact O-N 3.45Å
187	A	25.4	Very low	27.4	Very low	93 Å²	93	140.5 Å²	140.5	77%	0.769	79%	0.787	S	S	*	*			trans	81.4	128.1	175.5	0	0	0	0	0	114.1
188	H	26.7	Very low	27.4	Very low	160 Å²	160	143.3 Å²	143.3	74%	0.741	79%	0.791	S	S	*	*			cis	-149.4	134.3	34.2	-155.1	-63.2	0	0	0	110.7	N190	H188-N190 PolarHBondContact O-N 3.21Å
189	K	25.7	Very low	27.5	Very low	190 Å²	190	141 Å²	141	83%	0.826	78%	0.778	S	S	*	*			trans	-64.4	113.6	165.2	179.4	179.6	-177.9	178.7	0	107.6
190	N	31.1	Very low	27.6	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	79%	0.786	S	S	*	*			trans	-136.2	120	157.8	-95.8	-11.7	0	0	0	109.1	H188	H188-N190 PolarHBondContact O-N 3.21Å
191	R	27	Very low	27.5	Very low	237 Å²	237	146.9 Å²	146.9	89%	0.894	79%	0.792	S	S	*	*			trans	-101	107.5	-177	-177	-172.2	-166.9	-174.2	4.3	106.1
192	S	33	Very low	27.4	Very low	105 Å²	105	144 Å²	144	73%	0.734	79%	0.79	S	S	*	*			trans	-168.1	105.5	165.6	48.1	0	0	0	0	111.5
193	N	28.1	Very low	27.5	Very low	157 Å²	157	140.2 Å²	140.2	84%	0.84	78%	0.784	S	S	*	*			trans	27.4	129.8	140.8	-61.1	-10.3	0	0	0	120.8
194	S	25.1	Very low	27.5	Very low	114 Å²	114	140.3 Å²	140.3	80%	0.797	79%	0.785	S	S	*	*			trans	53.6	103.6	132.6	173.6	0	0	0	0	117.9
195	S	28.6	Very low	27.6	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	79%	0.788	S	S	*	*			trans	-164.7	110.8	135.1	55.8	0	0	0	0	111.3
196	T	25.7	Very low	27.6	Very low	130 Å²	130	140.3 Å²	140.3	80%	0.798	78%	0.784	S	S	*	*			trans	-33.1	131.3	147	-40.6	0	0	0	0	111.3
197	L	30.2	Very low	27.8	Very low	145 Å²	145	141.1 Å²	141.1	76%	0.759	79%	0.79	S	S	*	*			trans	-118.8	103	171.7	-111.5	161.2	0	0	0	109.8	I199	L197-I199 HydrophobicContact CD2-CD1 3.78Å; L197-I199 HydrophobicContact CD2-CG1 3.86Å
198	T	25.4	Very low	28.1	Very low	127 Å²	127	140.7 Å²	140.7	78%	0.779	78%	0.782	S	S	*	*			trans	-88.2	123.2	168	-48.1	0	0	0	0	108.3
199	I	29.6	Very low	28.5	Very low	138 Å²	138	141 Å²	141	71%	0.708	78%	0.784	S	S	*	*			trans	-153.3	131.4	168.3	-55.4	-178.8	0	0	0	107	L197	L197-I199 HydrophobicContact CD2-CD1 3.78Å; L197-I199 HydrophobicContact CD2-CG1 3.86Å
200	C	27.7	Very low	29.1	Very low	119 Å²	119	139 Å²	139	80%	0.804	78%	0.782	S	S	*	*			cis	-158.7	136.5	-17.7	-97.6	0	0	0	0	105.4
201	R	25	Very low	29.5	Very low	246 Å²	246	135.5 Å²	135.5	93%	0.928	77%	0.769	S	S	*	*			trans	-93.7	110.6	174	-161.8	176.1	-174	149.1	-0.4	107.2
202	G	29	Very low	30.1	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	76%	0.76	S	S	*	*			trans	-100.9	109.2	175.1	0	0	0	0	0	110.8
203	T	27.3	Very low	30.5	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	75%	0.75	S	S	*	*			trans	-90.8	167.8	164.1	38.9	0	0	0	0	110.4
204	S	28.7	Very low	31.2	Very low	100 Å²	100	128 Å²	128	70%	0.699	73%	0.732	S	S	*	*			trans	81.5	105	168.2	44.9	0	0	0	0	119
205	D	27.8	Very low	32.2	Very low	150 Å²	150	128 Å²	128	80%	0.802	72%	0.722	S	S	*	*				101.7	129.3	122.1	-62.3	-16.6	0	0	0	121.5
206	S	28.4	Very low	33.3	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	71%	0.714	S	S	*	*			trans	90.3	95.7	146	69.5	0	0	0	0	119.7
207	Q	27.7	Very low	34.3	Very low	200 Å²	200	127.5 Å²	127.5	94%	0.935	71%	0.705	S	S	*	*				39.4	91.8	126.9	-66.8	-177.8	-5.2	0	0	117.7
208	S	32.9	Very low	35.4	Very low	85 Å²	85	125.9 Å²	125.9	59%	0.594	70%	0.696	S	S	*	*			trans	-174.7	7.7	154.7	175.6	0	0	0	0	115	N210	S208-N210 PolarHBondContact O-N 3.03Å
209	E	35.2	Very low	36.9	Very low	167 Å²	167	125.9 Å²	125.9	78%	0.78	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-11.2	-165.8	-72.1	-167.8	140.9	0	0	116.6	S211 T213	E209-S211 PolarHBondContact O-N 3.15Å; E209-T213 PolarHBondContact O-OG1 2.83Å
210	N	38.2	Very low	38.1	Very low	148 Å²	148	123.6 Å²	123.6	79%	0.791	68%	0.676	S	S	*	*	H	α-helix	trans	-80.3	-10.9	-175.6	-84	0.2	0	0	0	115.5	S208	S208-N210 PolarHBondContact O-N 3.03Å
211	S	39.3	Very low	39.9	Very low	67 Å²	67	123.2 Å²	123.2	47%	0.469	67%	0.666	S	S	.	*	H	α-helix	trans	-93.4	-25.2	176.5	61.8	0	0	0	0	113.3	E209 S214 I215	E209-S211 PolarHBondContact O-N 3.15Å; S211-S214 PolarHBondContact O-OG 3.4Å; S211-S214 VanDerWaalsContact O-OG 3.11Å; S211-I215 WeakPolarHBondContact O-CD1 3.4Å; S211-I215 WeakPolarHBondContact O-CG1 3.47Å
212	R	39.4	Very low	41.7	Very low	190 Å²	190	116 Å²	116	72%	0.717	65%	0.646	S	S	*	*	H	α-helix	trans	-79	-35.1	179.9	-77.8	-177.7	166	177.4	-3.2	112.4	I216	R212-I216 VanDerWaalsContact O-CD1 3.3Å; R212-I216 WeakPolarHBondContact O-CD1 3.44Å; R212-I216 WeakPolarHBondContact O-CG1 3.38Å; R212-I216 PolarHBondContact O-N 3.19Å
213	T	41.7	Very low	43.3	Very low	85 Å²	85	115 Å²	115	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-70	-34.2	179.2	47.9	0	0	0	0	112.7	E209 L217	E209-T213 PolarHBondContact O-OG1 2.83Å; T213-L217 WeakPolarHBondContact O-CB 3.28Å; T213-L217 PolarHBondContact O-N 2.7Å
214	S	41.6	Very low	45	Very low	66 Å²	66	113.7 Å²	113.7	46%	0.462	61%	0.606	S	S	.	*	H	α-helix	trans	-72	-37.1	177.6	54.2	0	0	0	0	113.3	S211 L217 L218	S211-S214 PolarHBondContact O-OG 3.4Å; S211-S214 VanDerWaalsContact O-OG 3.11Å; S214-L217 PolarHBondContact O-N 2.94Å; S214-L218 WeakPolarHBondContact O-CB 3.33Å; S214-L218 PolarHBondContact O-N 3.33Å
215	I	46.8	Very low	46.7	Very low	115 Å²	115	111.7 Å²	111.7	59%	0.59	59%	0.591	S	S	*	*	H	α-helix	trans	-67.4	-40.4	175.4	-63	168.3	0	0	0	110.7	S211 L218 H219	S211-I215 WeakPolarHBondContact O-CD1 3.4Å; S211-I215 WeakPolarHBondContact O-CG1 3.47Å; I215-L218 PolarHBondContact O-N 2.91Å; I215-H219 WeakPolarHBondContact O-CB 3.48Å; I215-H219 PolarHBondContact O-N 3.49Å
216	I	51	Low	48.6	Very low	104 Å²	104	109.8 Å²	109.8	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-67.6	-38.6	176.8	-64.2	164.8	0	0	0	110.8	R212 N220	R212-I216 VanDerWaalsContact O-CD1 3.3Å; R212-I216 WeakPolarHBondContact O-CD1 3.44Å; R212-I216 WeakPolarHBondContact O-CG1 3.38Å; R212-I216 PolarHBondContact O-N 3.19Å; I216-N220 WeakPolarHBondContact O-CB 3.36Å; I216-N220 PolarHBondContact O-N 3.43Å
217	L	46.6	Very low	50.3	Low	118 Å²	118	107.2 Å²	107.2	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-66.2	-43.8	176.6	-150.4	100.1	0	0	0	111.7	T213 S214 N220 L221	T213-L217 WeakPolarHBondContact O-CB 3.28Å; T213-L217 PolarHBondContact O-N 2.7Å; S214-L217 PolarHBondContact O-N 2.94Å; L217-N220 PolarHBondContact O-N 3.02Å; L217-L221 WeakPolarHBondContact O-CB 3.46Å; L217-L221 PolarHBondContact O-N 3.07Å
218	L	54.4	Low	52.2	Low	111 Å²	111	102.3 Å²	102.3	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-64	-42	178	-172.9	72	0	0	0	111.5	S214 I215 L221 L222	S214-L218 WeakPolarHBondContact O-CB 3.33Å; S214-L218 PolarHBondContact O-N 3.33Å; I215-L218 PolarHBondContact O-N 2.91Å; L218-L221 PolarHBondContact O-N 3.13Å; L218-L222 HydrophobicContact CG-CD1 4.17Å; L218-L222 WeakPolarHBondContact O-CB 3.48Å; L218-L222 PolarHBondContact O-N 3Å
219	H	56.9	Low	53.9	Low	126 Å²	126	103.3 Å²	103.3	58%	0.583	53%	0.533	S	S	*	.	H	α-helix	trans	-63.7	-41.4	177.2	-161.2	-70.8	0	0	0	111.3	I215 Y223	I215-H219 WeakPolarHBondContact O-CB 3.48Å; I215-H219 PolarHBondContact O-N 3.49Å; H219-Y223 WeakPolarHBondContact O-CB 3.37Å; H219-Y223 PolarHBondContact O-N 3.23Å
220	N	55.7	Low	55.3	Low	90 Å²	90	96.6 Å²	96.6	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-34.4	174.8	-80	-19.3	0	0	0	112.8	I216 L217 N224	I216-N220 WeakPolarHBondContact O-CB 3.36Å; I216-N220 PolarHBondContact O-N 3.43Å; L217-N220 PolarHBondContact O-N 3.02Å; N220-N224 WeakPolarHBondContact O-CB 3.09Å; N220-N224 VanDerWaalsContact O-CG 3.27Å; N220-N224 PolarHBondContact O-N 3.09Å; N220-N224 PolarHBondContact O-ND2 3.36Å
221	L	63.4	Low	56.5	Low	112 Å²	112	91.4 Å²	91.4	59%	0.586	48%	0.477	S	S	*	.	H	α-helix	trans	-70.9	-44	177.5	-126.4	151.1	0	0	0	112	L217 L218 Y223 N224 S225	L217-L221 WeakPolarHBondContact O-CB 3.46Å; L217-L221 PolarHBondContact O-N 3.07Å; L218-L221 PolarHBondContact O-N 3.13Å; L221-Y223 VanDerWaalsContact C-N 3.34Å; L221-N224 PolarHBondContact O-N 3.27Å; L221-S225 WeakPolarHBondContact O-CB 3.46Å; L221-S225 PolarHBondContact O-N 3.42Å; L221-S225 PolarHBondContact O-OG 3.27Å
222	L	63.5	Low	58.1	Low	95 Å²	95	91.9 Å²	91.9	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-40.9	172.6	-82.4	164.1	0	0	0	111.6	L218 S225 L226	L218-L222 HydrophobicContact CG-CD1 4.17Å; L218-L222 WeakPolarHBondContact O-CB 3.48Å; L218-L222 PolarHBondContact O-N 3Å; L222-S225 WeakPolarHBondContact CA-OG 3.23Å; L222-S225 PolarHBondContact O-N 3Å; L222-S225 PolarHBondContact O-OG 3.43Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.08Å
223	Y	63.3	Low	59.6	Low	59 Å²	59	85.8 Å²	85.8	23%	0.231	46%	0.457	C	S	.	.	H	α-helix	trans	-63.2	-47.5	177.7	-168.8	-87.6	0	0	0	111.6	H219 L221 S225 L226 F227 P340 V344	H219-Y223 WeakPolarHBondContact O-CB 3.37Å; H219-Y223 PolarHBondContact O-N 3.23Å; L221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 2.91Å; Y223-L226 PolarHBondContact O-N 3.44Å; Y223-F227 VanDerWaalsContact O-CB 3.31Å; Y223-F227 WeakPolarHBondContact O-CB 3.48Å; Y223-F227 PolarHBondContact O-N 3.15Å; Y223-P340 HydrophobicContact CE1-CB 3.58Å; Y223-P340 HydrophobicContact CE2-CB 4.21Å; Y223-P340 WeakPolarHBondContact OH-CA 3.34Å; Y223-P340 WeakPolarHBondContact OH-CB 3.4Å; Y223-P340 PolarHBondContact OH-O 2.99Å; Y223-V344 HydrophobicContact CE2-CG2 3.84Å
224	N	62.5	Low	60.6	Low	94 Å²	94	83.1 Å²	83.1	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-38.7	176.5	-76.6	-28.8	0	0	0	112.3	N220 L221 F227 I228	N220-N224 WeakPolarHBondContact O-CB 3.09Å; N220-N224 VanDerWaalsContact O-CG 3.27Å; N220-N224 PolarHBondContact O-N 3.09Å; N220-N224 PolarHBondContact O-ND2 3.36Å; L221-N224 PolarHBondContact O-N 3.27Å; N224-F227 PolarHBondContact O-N 2.95Å; N224-I228 WeakPolarHBondContact O-CB 3.29Å; N224-I228 WeakPolarHBondContact O-CD1 3.19Å; N224-I228 WeakPolarHBondContact O-CG1 3.23Å; N224-I228 PolarHBondContact O-N 3.17Å
225	S	63.9	Low	61.7	Low	57 Å²	57	82.6 Å²	82.6	40%	0.399	43%	0.434	S	S	.	.	H	α-helix	trans	-68.7	-41.6	178.4	70.9	0	0	0	0	112.1	L221 L222 Y223 F227 I228 L229	L221-S225 WeakPolarHBondContact O-CB 3.46Å; L221-S225 PolarHBondContact O-N 3.42Å; L221-S225 PolarHBondContact O-OG 3.27Å; L222-S225 WeakPolarHBondContact CA-OG 3.23Å; L222-S225 PolarHBondContact O-N 3Å; L222-S225 PolarHBondContact O-OG 3.43Å; Y223-S225 PolarHBondContact O-N 2.91Å; S225-F227 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact O-N 2.63Å; S225-I228 PolarHBondContact O-N 3.21Å; S225-L229 WeakPolarHBondContact O-CB 3.44Å; S225-L229 PolarHBondContact O-N 2.81Å
226	L	68	Low	62.3	Low	110 Å²	110	83.4 Å²	83.4	58%	0.576	43%	0.433	S	S	*	.	H	α-helix	trans	-63.7	-38.8	174.1	-73.2	170.7	0	0	0	111.8	L222 Y223 L229 S230	L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.08Å; Y223-L226 PolarHBondContact O-N 3.44Å; L226-L229 PolarHBondContact O-N 2.75Å; L226-S230 VanDerWaalsContact O-CB 3.23Å; L226-S230 WeakPolarHBondContact O-CB 3.31Å; L226-S230 PolarHBondContact O-N 3.3Å
227	F	64.3	Low	62.7	Low	52 Å²	52	80.3 Å²	80.3	23%	0.228	43%	0.427	C	S	.	.	H	α-helix	trans	-65.6	-43.1	175.5	-176.4	-102.7	0	0	0	112.5	Y223 N224 S225 S230 L231 I335	Y223-F227 VanDerWaalsContact O-CB 3.31Å; Y223-F227 WeakPolarHBondContact O-CB 3.48Å; Y223-F227 PolarHBondContact O-N 3.15Å; N224-F227 PolarHBondContact O-N 2.95Å; S225-F227 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact O-N 2.63Å; F227-S230 WeakPolarHBondContact O-CB 3.43Å; F227-S230 PolarHBondContact O-N 3.19Å; F227-L231 HydrophobicContact CD1-CD1 3.89Å; F227-L231 HydrophobicContact CE1-CD1 3.59Å; F227-L231 HydrophobicContact CZ-CD1 4.26Å; F227-L231 WeakPolarHBondContact O-CB 3.42Å; F227-L231 PolarHBondContact O-N 3.48Å; F227-I335 HydrophobicContact CE1-CG2 4.01Å; F227-I335 HydrophobicContact CE2-CG2 3.68Å; F227-I335 HydrophobicContact CZ-CG2 3.17Å
228	I	67.5	Low	63.2	Low	98 Å²	98	77.3 Å²	77.3	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-44	174.6	-69.3	165.2	0	0	0	110.5	N224 S225 S230 L231 I232	N224-I228 WeakPolarHBondContact O-CB 3.29Å; N224-I228 WeakPolarHBondContact O-CD1 3.19Å; N224-I228 WeakPolarHBondContact O-CG1 3.23Å; N224-I228 PolarHBondContact O-N 3.17Å; S225-I228 PolarHBondContact O-N 3.21Å; I228-S230 VanDerWaalsContact C-N 3.34Å; I228-S230 PolarHBondContact O-N 3.35Å; I228-L231 WeakPolarHBondContact O-CB 3.42Å; I228-L231 PolarHBondContact O-N 3.47Å; I228-I232 HydrophobicContact CG2-CD1 3.92Å; I228-I232 VanDerWaalsContact O-CG1 3.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.22Å; I228-I232 PolarHBondContact O-N 3.38Å
229	L	68.6	Low	63.3	Low	105 Å²	105	75.3 Å²	75.3	55%	0.55	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-43.9	177	-164.9	82.6	0	0	0	111.2	S225 L226 L231 I232 V233	S225-L229 WeakPolarHBondContact O-CB 3.44Å; S225-L229 PolarHBondContact O-N 2.81Å; L226-L229 PolarHBondContact O-N 2.75Å; L229-L231 PolarHBondContact O-N 3.4Å; L229-I232 WeakPolarHBondContact O-CB 3.42Å; L229-I232 PolarHBondContact O-N 3.41Å; L229-V233 WeakPolarHBondContact O-CG2 3.35Å; L229-V233 PolarHBondContact O-N 2.86Å
230	S	64.1	Low	63	Low	26 Å²	26	74.5 Å²	74.5	18%	0.182	40%	0.399	C	S	.	.	H	α-helix	trans	-57.5	-47	173.7	162.1	0	0	0	0	111.9	L226 F227 I228 I232 V233 C234 M347	L226-S230 VanDerWaalsContact O-CB 3.23Å; L226-S230 WeakPolarHBondContact O-CB 3.31Å; L226-S230 PolarHBondContact O-N 3.3Å; F227-S230 WeakPolarHBondContact O-CB 3.43Å; F227-S230 PolarHBondContact O-N 3.19Å; I228-S230 VanDerWaalsContact C-N 3.34Å; I228-S230 PolarHBondContact O-N 3.35Å; S230-I232 VanDerWaalsContact C-N 3.33Å; S230-I232 PolarHBondContact O-N 2.91Å; S230-V233 PolarHBondContact O-N 2.84Å; S230-C234 WeakPolarHBondContact O-CB 3.37Å; S230-C234 PolarHBondContact O-N 2.82Å; S230-C234 PolarHBondContact O-SG 2.83Å; S230-C234 VanDerWaalsContact O-SG 3.37Å; S230-M347 WeakPolarHBondContact OG-CE 3.27Å; S230-M347 WeakPolarHBondContact OG-CG 3.34Å; S230-M347 PolarHBondContact OG-SD 3.35Å
231	L	64.9	Low	62.5	Low	40 Å²	40	74.8 Å²	74.8	21%	0.209	41%	0.406	C	S	.	.	H	α-helix	trans	-58.8	-42.3	174.3	-98.2	162.1	0	0	0	112.3	F227 I228 L229 C234 L235 I335	F227-L231 HydrophobicContact CD1-CD1 3.89Å; F227-L231 HydrophobicContact CE1-CD1 3.59Å; F227-L231 HydrophobicContact CZ-CD1 4.26Å; F227-L231 WeakPolarHBondContact O-CB 3.42Å; F227-L231 PolarHBondContact O-N 3.48Å; I228-L231 WeakPolarHBondContact O-CB 3.42Å; I228-L231 PolarHBondContact O-N 3.47Å; L229-L231 PolarHBondContact O-N 3.4Å; L231-C234 PolarHBondContact O-N 2.91Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 PolarHBondContact O-N 3.47Å; L231-I335 HydrophobicContact CD1-CG2 4.28Å; L231-I335 HydrophobicContact CD2-CD1 3.59Å; L231-I335 HydrophobicContact CD2-CG2 4.28Å; L231-I335 HydrophobicContact CG-CD1 4.41Å; L231-I335 HydrophobicContact CG-CG2 4.32Å
232	I	72.4	Confident	61.7	Low	77 Å²	77	75.6 Å²	75.6	40%	0.395	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-46.1	176.9	-68.8	166.2	0	0	0	110.4	I228 L229 S230 C234 L235 F236	I228-I232 HydrophobicContact CG2-CD1 3.92Å; I228-I232 VanDerWaalsContact O-CG1 3.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.22Å; I228-I232 PolarHBondContact O-N 3.38Å; L229-I232 WeakPolarHBondContact O-CB 3.42Å; L229-I232 PolarHBondContact O-N 3.41Å; S230-I232 VanDerWaalsContact C-N 3.33Å; S230-I232 PolarHBondContact O-N 2.91Å; I232-C234 PolarHBondContact O-N 2.83Å; I232-L235 WeakPolarHBondContact O-CB 3.24Å; I232-L235 PolarHBondContact O-N 2.8Å; I232-F236 HydrophobicContact CG2-CD2 3.68Å; I232-F236 HydrophobicContact CG2-CE2 3.78Å; I232-F236 WeakPolarHBondContact O-CD2 3.17Å; I232-F236 PolarHBondContact O-N 3.08Å
233	V	69.9	Low	60.7	Low	61 Å²	61	74.9 Å²	74.9	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-42.3	177.9	173.2	0	0	0	0	111.2	L229 S230 F236 G237	L229-V233 WeakPolarHBondContact O-CG2 3.35Å; L229-V233 PolarHBondContact O-N 2.86Å; S230-V233 PolarHBondContact O-N 2.84Å; V233-F236 PolarHBondContact O-N 3.41Å; V233-G237 PolarHBondContact O-N 2.77Å
234	C	62.6	Low	59.6	Low	29 Å²	29	76.4 Å²	76.4	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-43.1	173.5	-72.2	0	0	0	0	112	S230 L231 I232 G237 I238	S230-C234 WeakPolarHBondContact O-CB 3.37Å; S230-C234 PolarHBondContact O-N 2.82Å; S230-C234 PolarHBondContact O-SG 2.83Å; S230-C234 VanDerWaalsContact O-SG 3.37Å; L231-C234 PolarHBondContact O-N 2.91Å; I232-C234 PolarHBondContact O-N 2.83Å; C234-G237 PolarHBondContact O-N 3.35Å; C234-I238 WeakPolarHBondContact O-CB 2.82Å; C234-I238 WeakPolarHBondContact O-CD1 3.44Å; C234-I238 WeakPolarHBondContact O-CG1 3.39Å; C234-I238 PolarHBondContact O-N 2.83Å
235	L	64.8	Low	58.5	Low	56 Å²	56	81.7 Å²	81.7	29%	0.293	43%	0.433	S	S	.	.	H	α-helix	trans	-58.9	-46.2	173.9	-96.1	156.7	0	0	0	111.3	L231 I232 I238 L239 L328	L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 PolarHBondContact O-N 3.47Å; I232-L235 WeakPolarHBondContact O-CB 3.24Å; I232-L235 PolarHBondContact O-N 2.8Å; L235-I238 PolarHBondContact O-N 3.39Å; L235-L239 HydrophobicContact CB-CD1 4.46Å; L235-L239 HydrophobicContact CD2-CD1 4.15Å; L235-L239 WeakPolarHBondContact O-CB 3.16Å; L235-L239 WeakPolarHBondContact O-CD1 3.41Å; L235-L239 WeakPolarHBondContact O-CG 3.27Å; L235-L239 PolarHBondContact O-N 3.18Å; L235-L328 HydrophobicContact CD2-CD1 3.7Å; L235-L328 HydrophobicContact CD2-CD2 4.48Å; L235-L328 HydrophobicContact CG-CD1 4.41Å
236	F	60.3	Low	57.1	Low	132 Å²	132	84.9 Å²	84.9	58%	0.579	45%	0.446	S	S	*	.	H	α-helix	trans	-63.3	-40.5	176.1	-91.8	-77.4	0	0	0	112.3	I232 V233 L239 L240	I232-F236 HydrophobicContact CG2-CD2 3.68Å; I232-F236 HydrophobicContact CG2-CE2 3.78Å; I232-F236 WeakPolarHBondContact O-CD2 3.17Å; I232-F236 PolarHBondContact O-N 3.08Å; V233-F236 PolarHBondContact O-N 3.41Å; F236-L239 PolarHBondContact O-N 2.84Å; F236-L240 WeakPolarHBondContact O-CB 3.39Å; F236-L240 PolarHBondContact O-N 3.14Å
237	G	58.2	Low	55.7	Low	39 Å²	39	84.9 Å²	84.9	40%	0.402	45%	0.454	S	S	.	.	H	α-helix	trans	-65.9	-36.6	175.7	0	0	0	0	0	113.4	V233 C234 P241	V233-G237 PolarHBondContact O-N 2.77Å; C234-G237 PolarHBondContact O-N 3.35Å; G237-P241 VanDerWaalsContact O-CD 3.24Å; G237-P241 WeakPolarHBondContact O-CD 3.45Å
238	I	59	Low	54.6	Low	54 Å²	54	90.2 Å²	90.2	28%	0.277	48%	0.477	S	S	.	.	H	α-helix	trans	-74.5	-35	175.4	-65.4	162.5	0	0	0	111.1	C234 L235 P241 F242 F324 I331	C234-I238 WeakPolarHBondContact O-CB 2.82Å; C234-I238 WeakPolarHBondContact O-CD1 3.44Å; C234-I238 WeakPolarHBondContact O-CG1 3.39Å; C234-I238 PolarHBondContact O-N 2.83Å; L235-I238 PolarHBondContact O-N 3.39Å; I238-P241 VanDerWaalsContact O-CD 3.28Å; I238-P241 WeakPolarHBondContact O-CD 3.04Å; I238-P241 WeakPolarHBondContact O-CG 3.4Å; I238-F242 HydrophobicContact CG2-CE2 4.43Å; I238-F242 WeakPolarHBondContact O-CD2 3.48Å; I238-F242 WeakPolarHBondContact O-CE2 3.46Å; I238-F324 HydrophobicContact CG2-CE2 3.79Å; I238-F324 HydrophobicContact CG2-CZ 4.4Å; I238-I331 HydrophobicContact CD1-CD1 4.15Å
239	L	55.5	Low	53.4	Low	69 Å²	69	89.6 Å²	89.6	36%	0.361	47%	0.474	S	S	.	.	H	α-helix	trans	-79.5	-25	179.4	-75.3	161.3	0	0	0	113	L235 F236 F242 L243 F324	L235-L239 HydrophobicContact CB-CD1 4.46Å; L235-L239 HydrophobicContact CD2-CD1 4.15Å; L235-L239 WeakPolarHBondContact O-CB 3.16Å; L235-L239 WeakPolarHBondContact O-CD1 3.41Å; L235-L239 WeakPolarHBondContact O-CG 3.27Å; L235-L239 PolarHBondContact O-N 3.18Å; F236-L239 PolarHBondContact O-N 2.84Å; L239-F242 PolarHBondContact O-N 3.3Å; L239-L243 PolarHBondContact O-N 3.22Å; L239-L243 VanDerWaalsContact O-N 3.14Å; L239-F324 HydrophobicContact CD2-CZ 3.94Å; L239-F324 HydrophobicContact CG-CZ 4.46Å
240	L	50.6	Low	52.2	Low	109 Å²	109	92.7 Å²	92.7	57%	0.571	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-51.1	-45.7	177.9	-135.7	73.5	0	0	0	113.9	F236 F242 L243	F236-L240 WeakPolarHBondContact O-CB 3.39Å; F236-L240 PolarHBondContact O-N 3.14Å; L240-F242 VanDerWaalsContact C-N 3.3Å; L240-F242 PolarHBondContact O-N 3.3Å; L240-L243 PolarHBondContact O-N 2.83Å
241	P	45.3	Very low	51.2	Low	96 Å²	96	96.2 Å²	96.2	62%	0.623	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-76.1	-10.3	176.2	28.1	-35.6	0	0	0	114.7	G237 I238	G237-P241 VanDerWaalsContact O-CD 3.24Å; G237-P241 WeakPolarHBondContact O-CD 3.45Å; I238-P241 VanDerWaalsContact O-CD 3.28Å; I238-P241 WeakPolarHBondContact O-CD 3.04Å; I238-P241 WeakPolarHBondContact O-CG 3.4Å
242	F	45.8	Very low	50.1	Low	129 Å²	129	98.8 Å²	98.8	57%	0.566	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-96.6	-8	174.9	-67.4	-77	0	0	0	113.4	I238 L239 L240 P244 F324	I238-F242 HydrophobicContact CG2-CE2 4.43Å; I238-F242 WeakPolarHBondContact O-CD2 3.48Å; I238-F242 WeakPolarHBondContact O-CE2 3.46Å; L239-F242 PolarHBondContact O-N 3.3Å; L240-F242 VanDerWaalsContact C-N 3.3Å; L240-F242 PolarHBondContact O-N 3.3Å; F242-P244 WeakPolarHBondContact O-CD 3.3Å; F242-F324 HydrophobicContact CD2-CD2 4.34Å; F242-F324 HydrophobicContact CD2-CE2 4.05Å; F242-F324 AromaticContact CE2-CD2 3.79Å; F242-F324 HydrophobicContact CE2-CD2 3.79Å; F242-F324 AromaticContact CE2-CE2 3.75Å; F242-F324 HydrophobicContact CE2-CE2 3.75Å; F242-F324 AromaticContact CZ-CD2 3.98Å; F242-F324 HydrophobicContact CZ-CD2 3.98Å; F242-F324 HydrophobicContact CZ-CE2 4.41Å
243	L	43.7	Very low	48.8	Very low	80 Å²	80	98 Å²	98	42%	0.419	51%	0.509	S	S	.	.	S	Bend	trans	-66.9	117.5	165.3	-86.3	124.1	0	0	0	107.1	L239 L240 Y245 L249	L239-L243 PolarHBondContact O-N 3.22Å; L239-L243 VanDerWaalsContact O-N 3.14Å; L240-L243 PolarHBondContact O-N 2.83Å; L243-Y245 PolarHBondContact O-N 3.21Å; L243-L249 HydrophobicContact CB-CD1 4.28Å
244	P	40.3	Very low	47.5	Very low	92 Å²	92	99.8 Å²	99.8	60%	0.597	51%	0.512	S	S	*	.			trans	-57.3	118.9	179.6	23.2	-30.9	0	0	0	107.6	F242 D246	F242-P244 WeakPolarHBondContact O-CD 3.3Å; P244-D246 PolarHBondContact O-N 2.82Å
245	Y	37.7	Very low	46.7	Very low	205 Å²	205	101.2 Å²	101.2	80%	0.804	52%	0.52	S	S	*	.			trans	-68.7	47.3	168.4	-100.4	-93.7	0	0	0	109.8	L243	L243-Y245 PolarHBondContact O-N 3.21Å
246	D	35.1	Very low	45.7	Very low	124 Å²	124	103.5 Å²	103.5	66%	0.663	53%	0.532	S	S	*	.	S	Bend	trans	-127.1	101.9	178.4	-78.7	-44.1	0	0	0	108.4	P244 K248	P244-D246 PolarHBondContact O-N 2.82Å; D246-K248 PolarHBondContact O-N 3.39Å
247	C	39.3	Very low	44.9	Very low	110 Å²	110	103.4 Å²	103.4	74%	0.743	53%	0.533	S	S	*	.	S	Bend	trans	58.2	-12.1	162.1	-57.8	0	0	0	0	120.2
248	K	40.6	Very low	44.1	Very low	163 Å²	163	107.6 Å²	107.6	71%	0.709	54%	0.542	S	S	*	.	S	Bend	trans	-97.1	-21.9	-176.6	-71.9	-173.6	179.1	179.6	0	115.5	D246 L251 L252	D246-K248 PolarHBondContact O-N 3.39Å; K248-L251 PolarHBondContact O-N 3.1Å; K248-L252 PolarHBondContact O-N 3.25Å
249	L	43.6	Very low	43.1	Very low	85 Å²	85	113.7 Å²	113.7	45%	0.445	56%	0.562	S	S	.	*	H	α-helix	trans	-75.6	-24.4	174.1	-101.2	144.8	0	0	0	112.9	L243 L251 S253	L243-L249 HydrophobicContact CB-CD1 4.28Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-S253 WeakPolarHBondContact O-CB 3.49Å; L249-S253 PolarHBondContact O-N 2.83Å; L249-S253 PolarHBondContact O-OG 2.96Å
250	W	42	Very low	42.1	Very low	170 Å²	170	121.7 Å²	121.7	64%	0.644	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-30.4	167.6	-173.2	79.4	0	0	0	112.1	S253 K254	W250-S253 PolarHBondContact O-OG 3.37Å; W250-K254 HydrophobicContact CH2-CD 4.01Å; W250-K254 HydrophobicContact CZ2-CD 4.19Å; W250-K254 HydrophobicContact CZ3-CD 4.16Å; W250-K254 VanDerWaalsContact O-CB 3.29Å; W250-K254 WeakPolarHBondContact O-CB 3.26Å; W250-K254 PolarHBondContact O-N 2.97Å
251	L	43.1	Very low	41.2	Very low	101 Å²	101	123.6 Å²	123.6	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-79.1	-36.8	174.9	-130.4	142.8	0	0	0	111.3	K248 L249 V255	K248-L251 PolarHBondContact O-N 3.1Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L251-V255 HydrophobicContact CD2-CG2 4.3Å; L251-V255 VanDerWaalsContact O-CB 3.24Å; L251-V255 WeakPolarHBondContact O-CB 3.38Å; L251-V255 WeakPolarHBondContact O-CG2 3.27Å; L251-V255 PolarHBondContact O-N 3.42Å
252	L	42.9	Very low	40.5	Very low	94 Å²	94	125.7 Å²	125.7	49%	0.492	60%	0.595	S	S	.	*	H	α-helix	trans	-70.3	-36.2	170.5	-104.5	148.2	0	0	0	111.9	K248 V255 L256	K248-L252 PolarHBondContact O-N 3.25Å; L252-V255 PolarHBondContact O-N 2.84Å; L252-L256 HydrophobicContact CD2-CD1 3.75Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 WeakPolarHBondContact O-CD1 3.33Å; L252-L256 PolarHBondContact O-N 3.39Å
253	S	44.7	Very low	39.6	Very low	59 Å²	59	125.6 Å²	125.6	41%	0.413	60%	0.601	S	S	.	*	H	α-helix	trans	-71.5	-38	172.2	79.9	0	0	0	0	111.3	L249 W250 H257	L249-S253 WeakPolarHBondContact O-CB 3.49Å; L249-S253 PolarHBondContact O-N 2.83Å; L249-S253 PolarHBondContact O-OG 2.96Å; W250-S253 PolarHBondContact O-OG 3.37Å; S253-H257 WeakPolarHBondContact O-CA 3.45Å; S253-H257 WeakPolarHBondContact O-CB 3.38Å; S253-H257 PolarHBondContact O-N 3.31Å
254	K	43	Very low	38.8	Very low	100 Å²	100	132 Å²	132	44%	0.435	62%	0.621	S	S	.	*	H	α-helix	trans	-62.6	-43.6	168.9	-97.5	-164.1	169.8	-168.4	0	112.3	W250 H257 E258	W250-K254 HydrophobicContact CH2-CD 4.01Å; W250-K254 HydrophobicContact CZ2-CD 4.19Å; W250-K254 HydrophobicContact CZ3-CD 4.16Å; W250-K254 VanDerWaalsContact O-CB 3.29Å; W250-K254 WeakPolarHBondContact O-CB 3.26Å; W250-K254 PolarHBondContact O-N 2.97Å; K254-H257 PolarHBondContact O-N 3.48Å; K254-E258 WeakPolarHBondContact O-CA 3.39Å; K254-E258 WeakPolarHBondContact O-CB 3.31Å; K254-E258 WeakPolarHBondContact O-CG 3.24Å; K254-E258 PolarHBondContact O-N 2.86Å
255	V	45.4	Very low	38.2	Very low	59 Å²	59	135 Å²	135	36%	0.358	63%	0.63	S	S	.	*	H	α-helix	trans	-72.7	-35.4	-178.8	170.5	0	0	0	0	112.2	L251 L252 R259	L251-V255 HydrophobicContact CD2-CG2 4.3Å; L251-V255 VanDerWaalsContact O-CB 3.24Å; L251-V255 WeakPolarHBondContact O-CB 3.38Å; L251-V255 WeakPolarHBondContact O-CG2 3.27Å; L251-V255 PolarHBondContact O-N 3.42Å; L252-V255 PolarHBondContact O-N 2.84Å; V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 WeakPolarHBondContact O-CG 3.18Å; V255-R259 PolarHBondContact O-N 3.43Å
256	L	44.5	Very low	37.7	Very low	104 Å²	104	130.9 Å²	130.9	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-76.3	-34.3	173.7	-84.6	146.9	0	0	0	112.1	L252 W260	L252-L256 HydrophobicContact CD2-CD1 3.75Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 WeakPolarHBondContact O-CD1 3.33Å; L252-L256 PolarHBondContact O-N 3.39Å; L256-W260 PolarHBondContact O-N 3.47Å
257	H	43.5	Very low	37.3	Very low	130 Å²	130	131.7 Å²	131.7	60%	0.602	64%	0.636	S	S	*	*	H	α-helix	trans	-81.7	-25.6	178.8	-154.2	-13.2	0	0	0	112.7	S253 K254 K261	S253-H257 WeakPolarHBondContact O-CA 3.45Å; S253-H257 WeakPolarHBondContact O-CB 3.38Å; S253-H257 PolarHBondContact O-N 3.31Å; K254-H257 PolarHBondContact O-N 3.48Å; H257-K261 PolarHBondContact O-N 2.88Å
258	E	40.6	Very low	36.7	Very low	127 Å²	127	132.6 Å²	132.6	59%	0.593	64%	0.639	S	S	*	*	H	α-helix	trans	-79.3	-35	166.6	-78.8	-174	162.7	0	0	112.2	K254 W260 K261	K254-E258 WeakPolarHBondContact O-CA 3.39Å; K254-E258 WeakPolarHBondContact O-CB 3.31Å; K254-E258 WeakPolarHBondContact O-CG 3.24Å; K254-E258 PolarHBondContact O-N 2.86Å; E258-W260 PolarHBondContact O-N 3.38Å; E258-K261 CarbonylContact O-C 3.53Å; E258-K261 PolarHBondContact O-N 3.31Å
259	R	37.8	Very low	36.5	Very low	182 Å²	182	130 Å²	130	69%	0.687	64%	0.639	S	S	*	*	H	α-helix	trans	-69.2	-20.6	173.7	-80.6	-178.5	176.1	-163.7	-0.6	113.8	V255	V255-R259 WeakPolarHBondContact O-CB 3.32Å; V255-R259 WeakPolarHBondContact O-CG 3.18Å; V255-R259 PolarHBondContact O-N 3.43Å
260	W	34.9	Very low	35.8	Very low	236 Å²	236	131.4 Å²	131.4	89%	0.894	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	3.3	169.1	-86	18.1	0	0	0	113.7	L256 E258	L256-W260 PolarHBondContact O-N 3.47Å; E258-W260 PolarHBondContact O-N 3.38Å
261	K	31.5	Very low	35.3	Very low	150 Å²	150	128.9 Å²	128.9	65%	0.652	66%	0.663	S	S	*	*			trans	-110.9	27.2	170.7	-92.5	-175.1	173.6	-177.7	0	112.5	H257 E258 N263	H257-K261 PolarHBondContact O-N 2.88Å; E258-K261 CarbonylContact O-C 3.53Å; E258-K261 PolarHBondContact O-N 3.31Å; K261-N263 VanDerWaalsContact C-N 3.3Å; K261-N263 PolarHBondContact O-N 2.97Å
262	I	29.8	Very low	34.4	Very low	139 Å²	139	131.2 Å²	131.2	71%	0.713	68%	0.676	S	S	*	*			trans	-80.4	91	168.5	-59.7	177.8	0	0	0	107.6
263	N	27.8	Very low	33.7	Very low	128 Å²	128	132.8 Å²	132.8	68%	0.684	69%	0.689	S	S	*	*			trans	-48	145.5	161.3	-69.6	-46.3	0	0	0	110.4	K261	K261-N263 VanDerWaalsContact C-N 3.3Å; K261-N263 PolarHBondContact O-N 2.97Å
264	Y	26.1	Very low	32.9	Very low	215 Å²	215	135.3 Å²	135.3	84%	0.843	71%	0.707	S	S	*	*	S	Bend	trans	-13.8	138	136.4	-64.1	-97.5	0	0	0	113.1
265	I	27.4	Very low	32.9	Very low	154 Å²	154	135.6 Å²	135.6	79%	0.79	72%	0.719	S	S	*	*			trans	122.1	86.3	167.9	-58.9	153.8	0	0	0	111.9
266	T	27.3	Very low	32.1	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.724	74%	0.743	S	S	*	*			trans	6.2	114.2	131.8	37.5	0	0	0	0	117
267	T	27.7	Very low	31.6	Very low	141 Å²	141	146.5 Å²	146.5	87%	0.865	76%	0.755	S	S	*	*				162	122.4	117.8	38.1	0	0	0	0	111.5
268	T	27.7	Very low	30.9	Very low	130 Å²	130	143.6 Å²	143.6	80%	0.798	75%	0.749	S	S	*	*			trans	-71.5	174.5	161.1	36.1	0	0	0	0	111.7
269	P	35.4	Very low	30.4	Very low	109 Å²	109	145.5 Å²	145.5	71%	0.708	76%	0.758	S	S	*	*			cis	-140.2	-165.1	-25.3	33.6	-11.3	0	0	0	113.2
270	S	28.6	Very low	30.1	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	76%	0.758	S	S	*	*			trans	83.8	140	163.6	80.8	0	0	0	0	116.1
271	S	31.6	Very low	29.9	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	75%	0.746	S	S	*	*			cis	-163.3	165.3	16.6	45.9	0	0	0	0	110.9
272	L	25.1	Very low	29.9	Very low	150 Å²	150	137 Å²	137	79%	0.785	75%	0.75	S	S	*	*			trans	-74.7	155.1	-177.3	-95.8	79.6	0	0	0	115.5
273	T	27.4	Very low	30.1	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	75%	0.749	S	S	*	*			trans	61.5	132.5	142.4	54.3	0	0	0	0	119.9
274	S	28.5	Very low	30.3	Very low	113 Å²	113	138.6 Å²	138.6	79%	0.79	75%	0.754	S	S	*	*				166.2	163.6	81.4	-171.6	0	0	0	0	110.7
275	P	42.5	Very low	30.7	Very low	105 Å²	105	133.4 Å²	133.4	68%	0.682	75%	0.749	S	S	*	*			trans	-113	-169.1	-160.5	39.4	-24.1	0	0	0	115.5
276	Y	28.8	Very low	31	Very low	221 Å²	221	134.9 Å²	134.9	87%	0.867	75%	0.752	S	S	*	*			trans	128.7	153.1	150	-101.7	-88.4	0	0	0	118.5
277	H	33.1	Very low	31.2	Very low	171 Å²	171	133.3 Å²	133.3	79%	0.792	75%	0.746	S	S	*	*			trans	92.1	137.2	165.3	-104.5	30.3	0	0	0	117.6
278	S	29.3	Very low	31.3	Very low	69 Å²	69	135.8 Å²	135.8	48%	0.483	74%	0.741	S	S	.	*			cis	168.5	143.5	-13	46.6	0	0	0	0	106.2
279	Q	31.4	Very low	31.5	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	73%	0.734	S	S	*	*			trans	57.2	148.2	145.3	-79.9	176	-21.8	0	0	118.3
280	N	30.6	Very low	31.4	Very low	126 Å²	126	140 Å²	140	67%	0.674	74%	0.74	S	S	*	*			cis	179.1	170.2	17.7	-120.5	-9.8	0	0	0	107.5
281	V	30.8	Very low	31.4	Very low	105 Å²	105	139.1 Å²	139.1	64%	0.636	73%	0.733	S	S	*	*			trans	92.8	117.2	136.6	159.9	0	0	0	0	121.9
282	H	31.1	Very low	31.4	Very low	159 Å²	159	139 Å²	139	74%	0.736	73%	0.733	S	S	*	*			trans	80.9	139.2	140.3	-70.7	17.1	0	0	0	119.3
283	D	35	Very low	31.7	Very low	132 Å²	132	135.6 Å²	135.6	71%	0.706	73%	0.734	S	S	*	*			cis	-157.1	145	29.6	-95.4	-42.3	0	0	0	115.1
284	H	31.5	Very low	31.8	Very low	168 Å²	168	134 Å²	134	78%	0.778	73%	0.734	S	S	*	*			trans	4.8	140.1	136	-79.7	-48.9	0	0	0	121.6
285	S	34.4	Very low	31.9	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	73%	0.733	S	S	*	*				173.5	129.7	68.8	39.8	0	0	0	0	109.6
286	Q	33.3	Very low	31.2	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	74%	0.744	S	S	*	*				44.9	126.8	93.2	-91.5	-175.4	-2.6	0	0	114.1
287	S	30.8	Very low	31.3	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	74%	0.735	S	S	*	*			cis	172.7	170.6	49.3	-170.1	0	0	0	0	112.9
288	Y	30.7	Very low	31	Very low	194 Å²	194	132.5 Å²	132.5	76%	0.761	74%	0.738	S	S	*	*			trans	77.4	143.9	159.8	-70.6	-88.3	0	0	0	119.2
289	K	31.8	Very low	31.2	Very low	151 Å²	151	134.5 Å²	134.5	66%	0.657	75%	0.748	S	S	*	*			cis	172.9	149.2	-24.3	-130.9	-169.6	-168.7	173.3	0	104.8
290	Q	32.5	Very low	31.2	Very low	176 Å²	176	133.6 Å²	133.6	82%	0.822	75%	0.754	S	S	*	*			trans	67.5	149	155.6	-69.6	168.3	-40.6	0	0	117.3
291	S	29.1	Very low	31.3	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	76%	0.76	S	S	*	*			cis	175.1	145	-12	161.4	0	0	0	0	105
292	S	32.7	Very low	31.1	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	77%	0.766	S	S	*	*			trans	66.4	131.4	153.7	61.6	0	0	0	0	120.5
293	G	31.5	Very low	31.3	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	77%	0.772	S	S	*	*			trans	138.5	83.4	145.3	0	0	0	0	0	114.1
294	A	27.7	Very low	31.2	Very low	94 Å²	94	134.9 Å²	134.9	78%	0.777	78%	0.777	S	S	*	*			trans	-56	135.5	167.8	0	0	0	0	0	111.3
295	T	31.2	Very low	31.2	Very low	125 Å²	125	129.9 Å²	129.9	77%	0.767	77%	0.77	S	S	*	*			trans	-166.8	121.4	135.6	-66	0	0	0	0	108.4	S297	T295-S297 PolarHBondContact O-N 3.5Å
296	Y	27.8	Very low	31.1	Very low	232 Å²	232	134 Å²	134	91%	0.91	78%	0.778	S	S	*	*			trans	-59.3	120.9	174.4	-72.5	-96	0	0	0	110.4
297	S	31.9	Very low	31.3	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	77%	0.774	S	S	*	*			trans	-143	121.2	165.8	-58.5	0	0	0	0	108.1	T295 T299	T295-S297 PolarHBondContact O-N 3.5Å; S297-T299 PolarHBondContact O-N 3.41Å
298	S	27	Very low	32	Very low	123 Å²	123	132.5 Å²	132.5	86%	0.86	77%	0.774	S	S	*	*			trans	-63.5	110.2	175.7	53.6	0	0	0	0	110.9
299	T	33.4	Very low	32.7	Very low	112 Å²	112	126.7 Å²	126.7	69%	0.687	76%	0.76	S	S	*	*			trans	-143.1	118.3	160.5	35.3	0	0	0	0	109.4	S297 E301	S297-T299 PolarHBondContact O-N 3.41Å; T299-E301 PolarHBondContact O-N 3.24Å
300	T	30.8	Very low	33.5	Very low	148 Å²	148	128 Å²	128	91%	0.908	77%	0.766	S	S	*	*			trans	-28.3	108.9	157.2	31.7	0	0	0	0	113.3
301	E	31.6	Very low	34.4	Very low	175 Å²	175	125.5 Å²	125.5	82%	0.818	76%	0.758	S	S	*	*			trans	-126.5	117.6	163.8	-74.8	-173.7	169.3	0	0	109.4	T299	T299-E301 PolarHBondContact O-N 3.24Å
302	C	26.4	Very low	35.3	Very low	111 Å²	111	125.5 Å²	125.5	75%	0.75	75%	0.748	S	S	*	*			trans	-61.2	131.8	170.5	-68.7	0	0	0	0	110.5	T304	C302-T304 PolarHBondContact O-N 3.48Å; C302-T304 VanDerWaalsContact O-N 3.15Å
303	P	35.7	Very low	36	Very low	132 Å²	132	126.7 Å²	126.7	86%	0.857	74%	0.739	S	S	*	*			trans	-79.7	96.7	155.8	30.4	-24.6	0	0	0	107.6
304	T	32.8	Very low	37.1	Very low	132 Å²	132	127.3 Å²	127.3	81%	0.81	72%	0.723	S	S	*	*			trans	-79.3	117.8	165.2	-34.2	0	0	0	0	107.1	C302	C302-T304 PolarHBondContact O-N 3.48Å; C302-T304 VanDerWaalsContact O-N 3.15Å
305	G	31.6	Very low	38.2	Very low	63 Å²	63	130.5 Å²	130.5	65%	0.649	72%	0.715	S	S	*	*			trans	78.6	107.9	162.8	0	0	0	0	0	115.8
306	E	31.9	Very low	39.4	Very low	191 Å²	191	130.3 Å²	130.3	89%	0.893	71%	0.706	S	S	*	*			trans	-173.2	138.5	130.5	-103	167.7	-171	0	0	108.9
307	N	38.1	Very low	40.9	Very low	147 Å²	147	122.4 Å²	122.4	79%	0.786	68%	0.681	S	S	*	*			trans	-35.1	136.9	-169.8	-63.6	-71.8	0	0	0	114.7	P309	N307-P309 VanDerWaalsContact O-N 3.09Å
308	P	46.8	Very low	42.3	Very low	91 Å²	91	126.6 Å²	126.6	59%	0.591	68%	0.682	S	S	*	*			trans	-51.9	126.2	172.3	23.3	-31.9	0	0	0	107.5	K310	P308-K310 PolarHBondContact O-N 2.88Å
309	P	45.1	Very low	44.1	Very low	72 Å²	72	125.5 Å²	125.5	47%	0.468	67%	0.666	S	S	.	*			trans	-53.2	132.8	-176.3	20.3	-30.4	0	0	0	106.9	N307 D311 E312	N307-P309 VanDerWaalsContact O-N 3.09Å; P309-D311 CarbonylContact O-C 3.48Å; P309-D311 PolarHBondContact O-N 2.94Å; P309-E312 HydrophobicContact CG-CB 4.16Å; P309-E312 HydrophobicContact CG-CG 3.99Å; P309-E312 PolarHBondContact O-N 3.38Å
310	K	48.3	Very low	45.3	Very low	178 Å²	178	122.8 Å²	122.8	77%	0.774	66%	0.655	S	S	*	*	H	α-helix	trans	-46.3	-24.9	179.6	-86.8	175	175	170.6	0	112.4	P308 N314	P308-K310 PolarHBondContact O-N 2.88Å; K310-N314 VanDerWaalsContact O-CB 3.26Å; K310-N314 WeakPolarHBondContact O-CB 3.2Å; K310-N314 VanDerWaalsContact O-CG 3.23Å; K310-N314 PolarHBondContact O-N 2.9Å; K310-N314 PolarHBondContact O-ND2 3.45Å
311	D	50.9	Low	46.7	Very low	125 Å²	125	122 Å²	122	67%	0.668	64%	0.64	S	S	*	*	H	α-helix	trans	-69.2	-33.8	174.2	-70.7	-23.4	0	0	0	115.4	P309 R315	P309-D311 CarbonylContact O-C 3.48Å; P309-D311 PolarHBondContact O-N 2.94Å; D311-R315 WeakPolarHBondContact O-CB 3.28Å; D311-R315 PolarHBondContact O-N 3.29Å
312	E	47.2	Very low	48.2	Very low	95 Å²	95	120.2 Å²	120.2	44%	0.444	63%	0.629	S	S	.	*	H	α-helix	trans	-72.5	-43	173.6	-86	-175.7	162.8	0	0	111.7	P309 N314 R315 H316	P309-E312 HydrophobicContact CG-CB 4.16Å; P309-E312 HydrophobicContact CG-CG 3.99Å; P309-E312 PolarHBondContact O-N 3.38Å; E312-N314 VanDerWaalsContact C-N 3.35Å; E312-N314 PolarHBondContact O-N 3.44Å; E312-R315 PolarHBondContact O-N 2.86Å; E312-H316 WeakPolarHBondContact O-CB 3.11Å; E312-H316 PolarHBondContact O-CD2 2.88Å; E312-H316 PolarHBondContact O-N 3.2Å
313	F	47.9	Very low	50	Low	140 Å²	140	117.5 Å²	117.5	61%	0.614	62%	0.615	S	S	*	*	H	α-helix	trans	-62.5	-42.7	173.7	-173.8	-96.4	0	0	0	111.3	R315 H316 T317	F313-R315 VanDerWaalsContact C-N 3.34Å; F313-R315 PolarHBondContact O-N 2.92Å; F313-H316 PolarHBondContact O-N 2.85Å; F313-T317 VanDerWaalsContact O-CB 3.24Å; F313-T317 WeakPolarHBondContact O-CB 3.33Å; F313-T317 PolarHBondContact O-N 3.3Å; F313-T317 PolarHBondContact O-OG1 3.26Å
314	N	54.4	Low	51.2	Low	90 Å²	90	113.3 Å²	113.3	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-64.2	-37.2	174.3	-80.8	-26.1	0	0	0	112.5	K310 E312 R318	K310-N314 VanDerWaalsContact O-CB 3.26Å; K310-N314 WeakPolarHBondContact O-CB 3.2Å; K310-N314 VanDerWaalsContact O-CG 3.23Å; K310-N314 PolarHBondContact O-N 2.9Å; K310-N314 PolarHBondContact O-ND2 3.45Å; E312-N314 VanDerWaalsContact C-N 3.35Å; E312-N314 PolarHBondContact O-N 3.44Å; N314-R318 VanDerWaalsContact O-CB 3.31Å; N314-R318 WeakPolarHBondContact O-CB 3.39Å; N314-R318 WeakPolarHBondContact O-CG 3.4Å; N314-R318 PolarHBondContact O-N 3.36Å
315	R	51.2	Low	52.8	Low	161 Å²	161	112.7 Å²	112.7	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-68.5	-45.6	176.7	177	179	153	-175.8	-8.4	111.7	D311 E312 F313 R318 L319	D311-R315 WeakPolarHBondContact O-CB 3.28Å; D311-R315 PolarHBondContact O-N 3.29Å; E312-R315 PolarHBondContact O-N 2.86Å; F313-R315 VanDerWaalsContact C-N 3.34Å; F313-R315 PolarHBondContact O-N 2.92Å; R315-R318 PolarHBondContact O-N 2.98Å; R315-L319 HydrophobicContact CG-CD1 4.14Å; R315-L319 WeakPolarHBondContact O-CB 3.48Å; R315-L319 WeakPolarHBondContact O-CG 3.37Å; R315-L319 PolarHBondContact O-N 2.99Å
316	H	56.5	Low	54.2	Low	122 Å²	122	113.3 Å²	113.3	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-64.6	-40.6	175	-80	-70.4	0	0	0	111.6	E312 F313 L319 A320	E312-H316 WeakPolarHBondContact O-CB 3.11Å; E312-H316 PolarHBondContact O-CD2 2.88Å; E312-H316 PolarHBondContact O-N 3.2Å; F313-H316 PolarHBondContact O-N 2.85Å; H316-L319 PolarHBondContact O-N 2.79Å; H316-A320 VanDerWaalsContact O-CB 3.29Å; H316-A320 WeakPolarHBondContact O-CB 3.24Å; H316-A320 PolarHBondContact O-N 3.45Å
317	T	59.5	Low	55.6	Low	65 Å²	65	106.4 Å²	106.4	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-65.2	-41.9	175.6	-56	0	0	0	0	111.6	F313 A320 F321	F313-T317 VanDerWaalsContact O-CB 3.24Å; F313-T317 WeakPolarHBondContact O-CB 3.33Å; F313-T317 PolarHBondContact O-N 3.3Å; F313-T317 PolarHBondContact O-OG1 3.26Å; T317-A320 PolarHBondContact O-N 3.22Å; T317-F321 VanDerWaalsContact O-CB 3.32Å; T317-F321 WeakPolarHBondContact O-CB 3.31Å; T317-F321 PolarHBondContact O-N 2.87Å
318	R	60.9	Low	56.6	Low	186 Å²	186	101.7 Å²	101.7	70%	0.702	51%	0.514	S	S	*	.	H	α-helix	trans	-63.1	-44.9	173.9	-85.3	-179	162.9	-172.2	-2.8	111.8	N314 R315 F321 F322	N314-R318 VanDerWaalsContact O-CB 3.31Å; N314-R318 WeakPolarHBondContact O-CB 3.39Å; N314-R318 WeakPolarHBondContact O-CG 3.4Å; N314-R318 PolarHBondContact O-N 3.36Å; R315-R318 PolarHBondContact O-N 2.98Å; R318-F321 PolarHBondContact O-N 3.47Å; R318-F322 WeakPolarHBondContact O-CB 3.49Å; R318-F322 VanDerWaalsContact O-CD2 3.23Å; R318-F322 WeakPolarHBondContact O-CD2 2.97Å; R318-F322 PolarHBondContact O-N 2.85Å
319	L	64.5	Low	57.4	Low	100 Å²	100	105.1 Å²	105.1	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-43.6	175.9	-82.7	160.7	0	0	0	111.6	R315 H316 F322 A323	R315-L319 HydrophobicContact CG-CD1 4.14Å; R315-L319 WeakPolarHBondContact O-CB 3.48Å; R315-L319 WeakPolarHBondContact O-CG 3.37Å; R315-L319 PolarHBondContact O-N 2.99Å; H316-L319 PolarHBondContact O-N 2.79Å; L319-F322 PolarHBondContact O-N 2.85Å; L319-A323 VanDerWaalsContact O-CB 3.28Å; L319-A323 WeakPolarHBondContact O-CB 3.23Å; L319-A323 PolarHBondContact O-N 2.81Å
320	A	60	Low	58	Low	55 Å²	55	105.3 Å²	105.3	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-43	175	0	0	0	0	0	111.4	H316 T317 A323 F324	H316-A320 VanDerWaalsContact O-CB 3.29Å; H316-A320 WeakPolarHBondContact O-CB 3.24Å; H316-A320 PolarHBondContact O-N 3.45Å; T317-A320 PolarHBondContact O-N 3.22Å; A320-A323 PolarHBondContact O-N 3.49Å; A320-F324 WeakPolarHBondContact O-CB 3.4Å; A320-F324 PolarHBondContact O-N 3.19Å
321	F	60.4	Low	58.6	Low	132 Å²	132	100 Å²	100	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-39.1	176.7	-170.4	-97.1	0	0	0	112.5	T317 R318 K325	T317-F321 VanDerWaalsContact O-CB 3.32Å; T317-F321 WeakPolarHBondContact O-CB 3.31Å; T317-F321 PolarHBondContact O-N 2.87Å; R318-F321 PolarHBondContact O-N 3.47Å; F321-K325 VanDerWaalsContact O-CB 3.23Å; F321-K325 WeakPolarHBondContact O-CB 3.37Å; F321-K325 PolarHBondContact O-N 2.7Å
322	F	63.3	Low	58.8	Low	136 Å²	136	96.3 Å²	96.3	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-68.4	-43.1	174.5	-89.3	-70.7	0	0	0	112.2	R318 L319 F324 K325 S326	R318-F322 WeakPolarHBondContact O-CB 3.49Å; R318-F322 VanDerWaalsContact O-CD2 3.23Å; R318-F322 WeakPolarHBondContact O-CD2 2.97Å; R318-F322 PolarHBondContact O-N 2.85Å; L319-F322 PolarHBondContact O-N 2.85Å; F322-F324 VanDerWaalsContact C-N 3.35Å; F322-K325 PolarHBondContact O-N 3.14Å; F322-S326 WeakPolarHBondContact O-CB 3.36Å; F322-S326 PolarHBondContact O-N 2.95Å; F322-S326 PolarHBondContact O-OG 3.37Å
323	A	63.9	Low	59.4	Low	55 Å²	55	98.9 Å²	98.9	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-60	-47.3	174.2	0	0	0	0	0	110.2	L319 A320 S326 A327	L319-A323 VanDerWaalsContact O-CB 3.28Å; L319-A323 WeakPolarHBondContact O-CB 3.23Å; L319-A323 PolarHBondContact O-N 2.81Å; A320-A323 PolarHBondContact O-N 3.49Å; A323-S326 PolarHBondContact O-N 3.44Å; A323-S326 PolarHBondContact O-OG 3.33Å; A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.33Å
324	F	59.7	Low	59.9	Low	43 Å²	43	94.8 Å²	94.8	19%	0.189	48%	0.479	C	S	.	.	H	α-helix	trans	-59.1	-49.2	175.2	-178.5	-96.5	0	0	0	112.1	I238 L239 F242 A320 F322 S326 A327 L328	I238-F324 HydrophobicContact CG2-CE2 3.79Å; I238-F324 HydrophobicContact CG2-CZ 4.4Å; L239-F324 HydrophobicContact CD2-CZ 3.94Å; L239-F324 HydrophobicContact CG-CZ 4.46Å; F242-F324 HydrophobicContact CD2-CD2 4.34Å; F242-F324 HydrophobicContact CD2-CE2 4.05Å; F242-F324 AromaticContact CE2-CD2 3.79Å; F242-F324 HydrophobicContact CE2-CD2 3.79Å; F242-F324 AromaticContact CE2-CE2 3.75Å; F242-F324 HydrophobicContact CE2-CE2 3.75Å; F242-F324 AromaticContact CZ-CD2 3.98Å; F242-F324 HydrophobicContact CZ-CD2 3.98Å; F242-F324 HydrophobicContact CZ-CE2 4.41Å; A320-F324 WeakPolarHBondContact O-CB 3.4Å; A320-F324 PolarHBondContact O-N 3.19Å; F322-F324 VanDerWaalsContact C-N 3.35Å; F324-S326 VanDerWaalsContact C-N 3.25Å; F324-S326 PolarHBondContact O-N 3.47Å; F324-A327 PolarHBondContact O-N 3.23Å; F324-L328 HydrophobicContact CE1-CD2 4.29Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.16Å; F324-L328 PolarHBondContact O-N 2.88Å
325	K	66.2	Low	59.9	Low	119 Å²	119	92.3 Å²	92.3	52%	0.517	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-37.2	177.6	-173.2	174.5	-177.8	174.6	0	111.9	F321 F322 R329	F321-K325 VanDerWaalsContact O-CB 3.23Å; F321-K325 WeakPolarHBondContact O-CB 3.37Å; F321-K325 PolarHBondContact O-N 2.7Å; F322-K325 PolarHBondContact O-N 3.14Å; K325-R329 WeakPolarHBondContact O-CB 3.46Å; K325-R329 PolarHBondContact O-N 2.87Å; K325-R329 VanDerWaalsContact O-N 3.08Å
326	S	62.5	Low	60.3	Low	77 Å²	77	91.3 Å²	91.3	54%	0.538	47%	0.47	S	S	.	.	H	α-helix	trans	-70.7	-41.8	176.2	78.6	0	0	0	0	112.3	F322 A323 F324 R329 S330	F322-S326 WeakPolarHBondContact O-CB 3.36Å; F322-S326 PolarHBondContact O-N 2.95Å; F322-S326 PolarHBondContact O-OG 3.37Å; A323-S326 PolarHBondContact O-N 3.44Å; A323-S326 PolarHBondContact O-OG 3.33Å; F324-S326 VanDerWaalsContact C-N 3.25Å; F324-S326 PolarHBondContact O-N 3.47Å; S326-R329 PolarHBondContact O-N 2.87Å; S326-S330 WeakPolarHBondContact O-CB 3.42Å; S326-S330 PolarHBondContact O-N 2.84Å
327	A	60.1	Low	60.2	Low	46 Å²	46	89.7 Å²	89.7	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-46.3	176.8	0	0	0	0	0	110.7	A323 F324 R329 S330 I331	A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.33Å; F324-A327 PolarHBondContact O-N 3.23Å; A327-R329 VanDerWaalsContact C-N 3.34Å; A327-R329 PolarHBondContact O-N 2.91Å; A327-S330 CarbonylContact O-C 3.57Å; A327-S330 WeakPolarHBondContact O-CA 3.45Å; A327-S330 WeakPolarHBondContact O-CB 3.3Å; A327-S330 PolarHBondContact O-N 3.38Å; A327-S330 VanDerWaalsContact O-N 3.1Å; A327-I331 VanDerWaalsContact O-CG1 3.27Å; A327-I331 WeakPolarHBondContact O-CG1 3.3Å; A327-I331 PolarHBondContact O-N 3.27Å
328	L	59.4	Low	59.8	Low	47 Å²	47	90 Å²	90	25%	0.246	48%	0.477	C	S	.	.	H	α-helix	trans	-58.8	-45.4	175.8	-174.3	69.4	0	0	0	111.2	L235 F324 S330 I331 C332	L235-L328 HydrophobicContact CD2-CD1 3.7Å; L235-L328 HydrophobicContact CD2-CD2 4.48Å; L235-L328 HydrophobicContact CG-CD1 4.41Å; F324-L328 HydrophobicContact CE1-CD2 4.29Å; F324-L328 VanDerWaalsContact O-CB 3.31Å; F324-L328 WeakPolarHBondContact O-CB 3.16Å; F324-L328 PolarHBondContact O-N 2.88Å; L328-S330 VanDerWaalsContact C-N 3.28Å; L328-S330 PolarHBondContact O-N 3.5Å; L328-I331 PolarHBondContact O-N 2.88Å; L328-C332 PolarHBondContact O-N 3.47Å; L328-C332 PolarHBondContact O-SG 3.29Å
329	R	63	Low	59.2	Low	163 Å²	163	86 Å²	86	62%	0.615	47%	0.469	S	S	*	.	H	α-helix	trans	-65.7	-32.9	177.4	-158.9	174	-166.4	154.1	4.2	112.4	K325 S326 A327 R333	K325-R329 WeakPolarHBondContact O-CB 3.46Å; K325-R329 PolarHBondContact O-N 2.87Å; K325-R329 VanDerWaalsContact O-N 3.08Å; S326-R329 PolarHBondContact O-N 2.87Å; A327-R329 VanDerWaalsContact C-N 3.34Å; A327-R329 PolarHBondContact O-N 2.91Å; R329-R333 WeakPolarHBondContact O-CG 3.33Å; R329-R333 PolarHBondContact O-N 2.87Å; R329-R333 VanDerWaalsContact O-N 3.14Å
330	S	59.4	Low	58.7	Low	77 Å²	77	84 Å²	84	54%	0.538	46%	0.462	S	S	.	.	H	α-helix	trans	-67.4	-43.9	172.6	-168.2	0	0	0	0	111.5	S326 A327 L328 R333 A334	S326-S330 WeakPolarHBondContact O-CB 3.42Å; S326-S330 PolarHBondContact O-N 2.84Å; A327-S330 CarbonylContact O-C 3.57Å; A327-S330 WeakPolarHBondContact O-CA 3.45Å; A327-S330 WeakPolarHBondContact O-CB 3.3Å; A327-S330 PolarHBondContact O-N 3.38Å; A327-S330 VanDerWaalsContact O-N 3.1Å; L328-S330 VanDerWaalsContact C-N 3.28Å; L328-S330 PolarHBondContact O-N 3.5Å; S330-R333 PolarHBondContact O-N 3.24Å; S330-A334 WeakPolarHBondContact O-CB 3.2Å; S330-A334 PolarHBondContact O-N 3.42Å
331	I	60.8	Low	58.3	Low	66 Å²	66	88 Å²	88	34%	0.338	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-48.1	177.6	-68.4	163.6	0	0	0	110.1	I238 A327 L328 R333 A334 I335	I238-I331 HydrophobicContact CD1-CD1 4.15Å; A327-I331 VanDerWaalsContact O-CG1 3.27Å; A327-I331 WeakPolarHBondContact O-CG1 3.3Å; A327-I331 PolarHBondContact O-N 3.27Å; L328-I331 PolarHBondContact O-N 2.88Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 2.95Å; I331-A334 PolarHBondContact O-N 3.46Å; I331-A334 VanDerWaalsContact O-N 3.13Å; I331-I335 HydrophobicContact CG2-CD1 3.54Å; I331-I335 HydrophobicContact CG2-CG1 4.24Å; I331-I335 WeakPolarHBondContact O-CB 3.2Å; I331-I335 VanDerWaalsContact O-CG1 3.24Å; I331-I335 WeakPolarHBondContact O-CG1 3.33Å; I331-I335 PolarHBondContact O-N 2.87Å
332	C	54.7	Low	58	Low	47 Å²	47	85.1 Å²	85.1	32%	0.318	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-39.8	176.1	-65.8	0	0	0	0	112.2	L328 I335 I336	L328-C332 PolarHBondContact O-N 3.47Å; L328-C332 PolarHBondContact O-SG 3.29Å; C332-I335 PolarHBondContact O-N 3.42Å; C332-I336 WeakPolarHBondContact O-CD1 3.48Å; C332-I336 WeakPolarHBondContact O-CG1 3.48Å; C332-I336 PolarHBondContact O-N 3.38Å
333	R	60.2	Low	57.4	Low	150 Å²	150	79.2 Å²	79.2	57%	0.566	45%	0.445	S	S	*	.	H	α-helix	trans	-67.5	-40.7	175.3	-77.5	178.3	176.4	-179.9	-3.5	112.6	R329 S330 I331 I335 I336 A337	R329-R333 WeakPolarHBondContact O-CG 3.33Å; R329-R333 PolarHBondContact O-N 2.87Å; R329-R333 VanDerWaalsContact O-N 3.14Å; S330-R333 PolarHBondContact O-N 3.24Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 2.95Å; R333-I335 VanDerWaalsContact C-N 3.29Å; R333-I336 PolarHBondContact O-N 3.49Å; R333-A337 WeakPolarHBondContact O-CB 3.36Å; R333-A337 PolarHBondContact O-N 2.9Å
334	A	57.1	Low	56.9	Low	54 Å²	54	80.4 Å²	80.4	45%	0.446	45%	0.446	S	S	.	.	H	α-helix	trans	-64.6	-36.6	175.7	0	0	0	0	0	111.5	S330 I331 A337 L338	S330-A334 WeakPolarHBondContact O-CB 3.2Å; S330-A334 PolarHBondContact O-N 3.42Å; I331-A334 PolarHBondContact O-N 3.46Å; I331-A334 VanDerWaalsContact O-N 3.13Å; A334-A337 PolarHBondContact O-N 3.13Å; A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 3.49Å; A334-L338 VanDerWaalsContact O-N 3.07Å
335	I	55.5	Low	56.7	Low	38 Å²	38	80.4 Å²	80.4	20%	0.195	45%	0.454	C	S	.	.	H	α-helix	trans	-69	-41.2	176.7	-73.1	171.5	0	0	0	111.5	F227 L231 I331 C332 R333 A337 L338	F227-I335 HydrophobicContact CE1-CG2 4.01Å; F227-I335 HydrophobicContact CE2-CG2 3.68Å; F227-I335 HydrophobicContact CZ-CG2 3.17Å; L231-I335 HydrophobicContact CD1-CG2 4.28Å; L231-I335 HydrophobicContact CD2-CD1 3.59Å; L231-I335 HydrophobicContact CD2-CG2 4.28Å; L231-I335 HydrophobicContact CG-CD1 4.41Å; L231-I335 HydrophobicContact CG-CG2 4.32Å; I331-I335 HydrophobicContact CG2-CD1 3.54Å; I331-I335 HydrophobicContact CG2-CG1 4.24Å; I331-I335 WeakPolarHBondContact O-CB 3.2Å; I331-I335 VanDerWaalsContact O-CG1 3.24Å; I331-I335 WeakPolarHBondContact O-CG1 3.33Å; I331-I335 PolarHBondContact O-N 2.87Å; C332-I335 PolarHBondContact O-N 3.42Å; R333-I335 VanDerWaalsContact C-N 3.29Å; I335-A337 VanDerWaalsContact C-N 3.3Å; I335-A337 PolarHBondContact O-N 2.93Å; I335-L338 PolarHBondContact O-N 2.76Å
336	I	58.6	Low	56.2	Low	139 Å²	139	79.2 Å²	79.2	71%	0.713	45%	0.453	S	S	*	.	H	α-helix	trans	-68.2	-31	175.6	-67.6	163	0	0	0	111.6	C332 R333 L338	C332-I336 WeakPolarHBondContact O-CD1 3.48Å; C332-I336 WeakPolarHBondContact O-CG1 3.48Å; C332-I336 PolarHBondContact O-N 3.38Å; R333-I336 PolarHBondContact O-N 3.49Å; I336-L338 VanDerWaalsContact C-N 3.32Å
337	A	54.7	Low	56	Low	88 Å²	88	77.4 Å²	77.4	73%	0.727	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.2	176.6	0	0	0	0	0	113.5	R333 A334 I335	R333-A337 WeakPolarHBondContact O-CB 3.36Å; R333-A337 PolarHBondContact O-N 2.9Å; A334-A337 PolarHBondContact O-N 3.13Å; I335-A337 VanDerWaalsContact C-N 3.3Å; I335-A337 PolarHBondContact O-N 2.93Å
338	L	50.1	Low	55.8	Low	73 Å²	73	78.3 Å²	78.3	38%	0.382	44%	0.441	S	S	.	.	S	Bend	trans	-81.5	131.1	-178.1	-140.7	76.8	0	0	0	109.5	A334 I335 I336 P340 A343	A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 3.49Å; A334-L338 VanDerWaalsContact O-N 3.07Å; I335-L338 PolarHBondContact O-N 2.76Å; I336-L338 VanDerWaalsContact C-N 3.32Å; L338-P340 WeakPolarHBondContact O-CD 3.5Å; L338-A343 HydrophobicContact CD2-CB 3.86Å
339	D	49.8	Very low	56.1	Low	100 Å²	100	84.9 Å²	84.9	54%	0.535	46%	0.462	S	S	.	.			trans	-59.2	123.6	173.6	-156.5	-27.2	0	0	0	108.9	L341 V342 A343	D339-L341 PolarHBondContact O-N 2.8Å; D339-L341 VanDerWaalsContact O-N 3.09Å; D339-V342 HydrophobicContact CB-CB 4.38Å; D339-V342 HydrophobicContact CB-CG2 4.09Å; D339-V342 WeakPolarHBondContact O-CA 3.46Å; D339-V342 WeakPolarHBondContact O-CB 3.39Å; D339-V342 PolarHBondContact O-N 3.2Å; D339-A343 PolarHBondContact O-N 3.35Å
340	P	53.4	Low	56.1	Low	59 Å²	59	81.6 Å²	81.6	38%	0.383	45%	0.452	S	S	.	.	H	α-helix	trans	-46.9	-41.2	-175.3	9.2	-27.7	0	0	0	114.3	Y223 L338 V342 A343 V344	Y223-P340 HydrophobicContact CE1-CB 3.58Å; Y223-P340 HydrophobicContact CE2-CB 4.21Å; Y223-P340 WeakPolarHBondContact OH-CA 3.34Å; Y223-P340 WeakPolarHBondContact OH-CB 3.4Å; Y223-P340 PolarHBondContact OH-O 2.99Å; L338-P340 WeakPolarHBondContact O-CD 3.5Å; P340-V342 PolarHBondContact O-N 2.93Å; P340-A343 WeakPolarHBondContact O-CB 3.23Å; P340-A343 PolarHBondContact O-N 3.42Å; P340-V344 WeakPolarHBondContact O-CG2 3.34Å; P340-V344 PolarHBondContact O-N 2.92Å
341	L	51.3	Low	56.1	Low	140 Å²	140	80.9 Å²	80.9	73%	0.733	45%	0.447	S	S	*	.	H	α-helix	trans	-64.1	-38.7	178	-85	135.4	0	0	0	113.3	D339 A343 V344 A345	D339-L341 PolarHBondContact O-N 2.8Å; D339-L341 VanDerWaalsContact O-N 3.09Å; L341-A343 VanDerWaalsContact C-N 3.34Å; L341-V344 PolarHBondContact O-N 2.89Å; L341-A345 PolarHBondContact O-N 3.49Å; L341-A345 VanDerWaalsContact O-N 3.08Å
342	V	53.8	Low	56.5	Low	71 Å²	71	82 Å²	82	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-71.9	-34	177.1	179.6	0	0	0	0	110.5	D339 P340 N346	D339-V342 HydrophobicContact CB-CB 4.38Å; D339-V342 HydrophobicContact CB-CG2 4.09Å; D339-V342 WeakPolarHBondContact O-CA 3.46Å; D339-V342 WeakPolarHBondContact O-CB 3.39Å; D339-V342 PolarHBondContact O-N 3.2Å; P340-V342 PolarHBondContact O-N 2.93Å; V342-N346 WeakPolarHBondContact O-CB 3.45Å; V342-N346 VanDerWaalsContact O-CG 3.31Å; V342-N346 PolarHBondContact O-N 2.9Å; V342-N346 PolarHBondContact O-ND2 2.95Å
343	A	51.1	Low	57.1	Low	11 Å²	11	81.3 Å²	81.3	9%	0.091	45%	0.454	C	S	.	.	H	α-helix	trans	-63	-47.8	173	0	0	0	0	0	111.5	L338 D339 P340 L341 A345 N346 M347	L338-A343 HydrophobicContact CD2-CB 3.86Å; D339-A343 PolarHBondContact O-N 3.35Å; P340-A343 WeakPolarHBondContact O-CB 3.23Å; P340-A343 PolarHBondContact O-N 3.42Å; L341-A343 VanDerWaalsContact C-N 3.34Å; A343-A345 PolarHBondContact O-N 3.19Å; A343-N346 PolarHBondContact O-N 3.33Å; A343-M347 VanDerWaalsContact O-CB 3.27Å; A343-M347 WeakPolarHBondContact O-CB 3.39Å; A343-M347 WeakPolarHBondContact O-CG 3.21Å; A343-M347 PolarHBondContact O-N 2.93Å
344	V	53.9	Low	57.3	Low	80 Å²	80	78.4 Å²	78.4	49%	0.485	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-44.1	177.9	174.2	0	0	0	0	111.1	Y223 P340 L341 M347 S348	Y223-V344 HydrophobicContact CE2-CG2 3.84Å; P340-V344 WeakPolarHBondContact O-CG2 3.34Å; P340-V344 PolarHBondContact O-N 2.92Å; L341-V344 PolarHBondContact O-N 2.89Å; V344-M347 PolarHBondContact O-N 2.96Å; V344-S348 WeakPolarHBondContact O-CB 3.39Å; V344-S348 PolarHBondContact O-N 3.42Å
345	A	55.2	Low	57.6	Low	44 Å²	44	80.8 Å²	80.8	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-51.5	176.4	0	0	0	0	0	111.2	L341 A343 M347 S348 W349	L341-A345 PolarHBondContact O-N 3.49Å; L341-A345 VanDerWaalsContact O-N 3.08Å; A343-A345 PolarHBondContact O-N 3.19Å; A345-M347 VanDerWaalsContact C-N 3.34Å; A345-M347 PolarHBondContact O-N 3.4Å; A345-S348 PolarHBondContact O-N 2.88Å; A345-S348 PolarHBondContact O-OG 3.48Å; A345-W349 PolarHBondContact O-N 2.97Å; A345-W349 VanDerWaalsContact O-N 3.15Å
346	N	56.4	Low	58.3	Low	93 Å²	93	84.1 Å²	84.1	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-65.5	-35.4	-179.5	-72.5	-26.6	0	0	0	113.1	V342 A343 W349 F350	V342-N346 WeakPolarHBondContact O-CB 3.45Å; V342-N346 VanDerWaalsContact O-CG 3.31Å; V342-N346 PolarHBondContact O-N 2.9Å; V342-N346 PolarHBondContact O-ND2 2.95Å; A343-N346 PolarHBondContact O-N 3.33Å; N346-W349 PolarHBondContact O-N 2.91Å; N346-F350 PolarHBondContact O-N 3.25Å
347	M	56.7	Low	58.5	Low	40 Å²	40	83 Å²	83	20%	0.197	47%	0.465	C	S	.	.	H	α-helix	trans	-70.1	-33.9	175	-71.3	-58.8	-56.6	0	0	112.3	S230 A343 V344 A345 W349 F350 C351	S230-M347 WeakPolarHBondContact OG-CE 3.27Å; S230-M347 WeakPolarHBondContact OG-CG 3.34Å; S230-M347 PolarHBondContact OG-SD 3.35Å; A343-M347 VanDerWaalsContact O-CB 3.27Å; A343-M347 WeakPolarHBondContact O-CB 3.39Å; A343-M347 WeakPolarHBondContact O-CG 3.21Å; A343-M347 PolarHBondContact O-N 2.93Å; V344-M347 PolarHBondContact O-N 2.96Å; A345-M347 VanDerWaalsContact C-N 3.34Å; A345-M347 PolarHBondContact O-N 3.4Å; M347-W349 VanDerWaalsContact C-N 3.35Å; M347-F350 HydrophobicContact CE-CD1 4.42Å; M347-F350 PolarHBondContact O-N 3.48Å; M347-C351 WeakPolarHBondContact O-CB 3.34Å; M347-C351 PolarHBondContact O-N 3.37Å; M347-C351 PolarHBondContact O-SG 3Å; M347-C351 VanDerWaalsContact O-SG 3.38Å
348	S	57	Low	58.4	Low	65 Å²	65	85.9 Å²	85.9	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-41.4	173.8	76.2	0	0	0	0	111.6	V344 A345 L352	V344-S348 WeakPolarHBondContact O-CB 3.39Å; V344-S348 PolarHBondContact O-N 3.42Å; A345-S348 PolarHBondContact O-N 2.88Å; A345-S348 PolarHBondContact O-OG 3.48Å; S348-L352 VanDerWaalsContact O-CB 3.27Å; S348-L352 WeakPolarHBondContact O-CB 3.45Å; S348-L352 PolarHBondContact O-N 3.06Å
349	W	64.9	Low	58.9	Low	185 Å²	185	87.1 Å²	87.1	70%	0.701	46%	0.461	S	S	*	.	H	α-helix	trans	-66	-38.8	174	-78.6	101.6	0	0	0	112.4	A345 N346 M347 L352 G353	A345-W349 PolarHBondContact O-N 2.97Å; A345-W349 VanDerWaalsContact O-N 3.15Å; N346-W349 PolarHBondContact O-N 2.91Å; M347-W349 VanDerWaalsContact C-N 3.35Å; W349-L352 HydrophobicContact CE3-CD2 4.3Å; W349-L352 HydrophobicContact CZ3-CD2 4.39Å; W349-L352 PolarHBondContact O-N 3Å; W349-G353 PolarHBondContact O-N 2.95Å
350	F	64.3	Low	59.4	Low	93 Å²	93	90.1 Å²	90.1	41%	0.408	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-46.2	176.3	-175.1	-101.4	0	0	0	112.1	N346 M347 L352 G353 L354	N346-F350 PolarHBondContact O-N 3.25Å; M347-F350 HydrophobicContact CE-CD1 4.42Å; M347-F350 PolarHBondContact O-N 3.48Å; F350-L352 VanDerWaalsContact C-N 3.34Å; F350-L352 PolarHBondContact O-N 3.41Å; F350-G353 PolarHBondContact O-N 2.9Å; F350-L354 HydrophobicContact CD1-CD1 3.9Å; F350-L354 HydrophobicContact CE1-CD1 3.38Å; F350-L354 HydrophobicContact CE1-CG 4.2Å; F350-L354 HydrophobicContact CZ-CD1 3.9Å; F350-L354 HydrophobicContact CZ-CG 4.35Å; F350-L354 PolarHBondContact O-N 2.79Å
351	C	59.4	Low	59.6	Low	62 Å²	62	92.8 Å²	92.8	42%	0.419	48%	0.475	S	S	.	.	H	α-helix	trans	-62.4	-40.5	174.8	-73.2	0	0	0	0	111.8	M347 L354 L355	M347-C351 WeakPolarHBondContact O-CB 3.34Å; M347-C351 PolarHBondContact O-N 3.37Å; M347-C351 PolarHBondContact O-SG 3Å; M347-C351 VanDerWaalsContact O-SG 3.38Å; C351-L354 PolarHBondContact O-N 3.29Å; C351-L355 WeakPolarHBondContact O-CB 3.39Å; C351-L355 PolarHBondContact O-N 3.43Å
352	L	68.9	Low	59.2	Low	90 Å²	90	93.1 Å²	93.1	47%	0.471	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.1	-168.3	78.7	0	0	0	111.2	S348 W349 F350 L354 L355 L356	S348-L352 VanDerWaalsContact O-CB 3.27Å; S348-L352 WeakPolarHBondContact O-CB 3.45Å; S348-L352 PolarHBondContact O-N 3.06Å; W349-L352 HydrophobicContact CE3-CD2 4.3Å; W349-L352 HydrophobicContact CZ3-CD2 4.39Å; W349-L352 PolarHBondContact O-N 3Å; F350-L352 VanDerWaalsContact C-N 3.34Å; F350-L352 PolarHBondContact O-N 3.41Å; L352-L354 PolarHBondContact O-N 3.18Å; L352-L355 PolarHBondContact O-N 3.23Å; L352-L356 HydrophobicContact CG-CD1 4.36Å; L352-L356 WeakPolarHBondContact O-CB 3.38Å; L352-L356 VanDerWaalsContact O-CG 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.1Å; L352-L356 PolarHBondContact O-N 2.84Å
353	G	66.7	Low	59.2	Low	32 Å²	32	100.2 Å²	100.2	33%	0.33	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-42.5	177	0	0	0	0	0	113.1	W349 F350 L356 M357	W349-G353 PolarHBondContact O-N 2.95Å; F350-G353 PolarHBondContact O-N 2.9Å; G353-L356 PolarHBondContact O-N 3.27Å; G353-M357 WeakPolarHBondContact O-CB 3.41Å; G353-M357 WeakPolarHBondContact O-CG 3.33Å; G353-M357 PolarHBondContact O-N 2.8Å
354	L	64.9	Low	58.9	Low	90 Å²	90	111.3 Å²	111.3	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-41.7	174.4	-79.8	172.8	0	0	0	112.5	F350 C351 L352 M357 Y358	F350-L354 HydrophobicContact CD1-CD1 3.9Å; F350-L354 HydrophobicContact CE1-CD1 3.38Å; F350-L354 HydrophobicContact CE1-CG 4.2Å; F350-L354 HydrophobicContact CZ-CD1 3.9Å; F350-L354 HydrophobicContact CZ-CG 4.35Å; F350-L354 PolarHBondContact O-N 2.79Å; C351-L354 PolarHBondContact O-N 3.29Å; L352-L354 PolarHBondContact O-N 3.18Å; L354-M357 PolarHBondContact O-N 2.81Å; L354-Y358 WeakPolarHBondContact O-CB 3.13Å; L354-Y358 PolarHBondContact O-N 2.76Å
355	L	63.5	Low	59.1	Low	104 Å²	104	112.9 Å²	112.9	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-43.6	176.1	-114.9	153.6	0	0	0	111.7	C351 L352 Y358 H359	C351-L355 WeakPolarHBondContact O-CB 3.39Å; C351-L355 PolarHBondContact O-N 3.43Å; L352-L355 PolarHBondContact O-N 3.23Å; L355-Y358 PolarHBondContact O-N 3.5Å; L355-H359 WeakPolarHBondContact O-CB 3.24Å; L355-H359 PolarHBondContact O-N 3.4Å
356	L	69	Low	59.3	Low	107 Å²	107	116.5 Å²	116.5	56%	0.56	54%	0.54	S	S	*	.	H	α-helix	trans	-63.7	-45.2	176.1	-72.8	172.3	0	0	0	111.5	L352 G353 H359 W360	L352-L356 HydrophobicContact CG-CD1 4.36Å; L352-L356 WeakPolarHBondContact O-CB 3.38Å; L352-L356 VanDerWaalsContact O-CG 3.32Å; L352-L356 WeakPolarHBondContact O-CG 3.1Å; L352-L356 PolarHBondContact O-N 2.84Å; G353-L356 PolarHBondContact O-N 3.27Å; L356-H359 PolarHBondContact O-N 3.11Å; L356-W360 WeakPolarHBondContact O-CB 3.14Å; L356-W360 PolarHBondContact O-N 2.95Å
357	M	63.4	Low	59.5	Low	116 Å²	116	117.8 Å²	117.8	57%	0.571	54%	0.543	S	S	*	.	H	α-helix	trans	-61.2	-44.2	175.5	-79.8	-70.2	-73.5	0	0	112	G353 L354 W360 I361	G353-M357 WeakPolarHBondContact O-CB 3.41Å; G353-M357 WeakPolarHBondContact O-CG 3.33Å; G353-M357 PolarHBondContact O-N 2.8Å; L354-M357 PolarHBondContact O-N 2.81Å; M357-W360 WeakPolarHBondContact O-CB 3.44Å; M357-W360 PolarHBondContact O-N 3.47Å; M357-I361 WeakPolarHBondContact O-CB 2.9Å; M357-I361 VanDerWaalsContact O-CG1 3.3Å; M357-I361 WeakPolarHBondContact O-CG1 3.2Å; M357-I361 PolarHBondContact O-N 2.82Å
358	Y	51.9	Low	59.6	Low	149 Å²	149	122.4 Å²	122.4	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-62.4	-42.9	175.9	-177.9	-101.9	0	0	0	111.8	L354 L355 W360 I361 K362	L354-Y358 WeakPolarHBondContact O-CB 3.13Å; L354-Y358 PolarHBondContact O-N 2.76Å; L355-Y358 PolarHBondContact O-N 3.5Å; Y358-W360 VanDerWaalsContact C-N 3.3Å; Y358-W360 PolarHBondContact O-N 3.35Å; Y358-I361 PolarHBondContact O-N 3.02Å; Y358-K362 HydrophobicContact CE1-CD 4.34Å; Y358-K362 WeakPolarHBondContact O-CB 3.13Å; Y358-K362 PolarHBondContact O-N 2.86Å
359	H	61.5	Low	59.8	Low	99 Å²	99	126 Å²	126	46%	0.458	57%	0.57	S	S	.	*	H	α-helix	trans	-63.9	-35.6	174	-108	-69	0	0	0	112.8	L355 L356 R363	L355-H359 WeakPolarHBondContact O-CB 3.24Å; L355-H359 PolarHBondContact O-N 3.4Å; L356-H359 PolarHBondContact O-N 3.11Å; H359-R363 WeakPolarHBondContact O-CB 3.48Å; H359-R363 WeakPolarHBondContact O-CG 3.29Å; H359-R363 PolarHBondContact O-N 3.18Å; H359-R363 VanDerWaalsContact O-N 3.13Å
360	W	60.6	Low	59.4	Low	162 Å²	162	122.1 Å²	122.1	61%	0.614	56%	0.561	S	S	*	*	H	α-helix	trans	-68.3	-42.7	176.3	-124.7	79.1	0	0	0	111.9	L356 M357 Y358 K362 R363 R364	L356-W360 WeakPolarHBondContact O-CB 3.14Å; L356-W360 PolarHBondContact O-N 2.95Å; M357-W360 WeakPolarHBondContact O-CB 3.44Å; M357-W360 PolarHBondContact O-N 3.47Å; Y358-W360 VanDerWaalsContact C-N 3.3Å; Y358-W360 PolarHBondContact O-N 3.35Å; W360-K362 VanDerWaalsContact C-N 3.34Å; W360-R363 PolarHBondContact O-N 3.01Å; W360-R364 PolarHBondContact O-N 3.48Å
361	I	56.7	Low	59.1	Low	115 Å²	115	124.1 Å²	124.1	59%	0.59	57%	0.572	S	S	*	*	H	α-helix	trans	-67.8	-35	176.9	-69.9	165.2	0	0	0	111.2	M357 Y358	M357-I361 WeakPolarHBondContact O-CB 2.9Å; M357-I361 VanDerWaalsContact O-CG1 3.3Å; M357-I361 WeakPolarHBondContact O-CG1 3.2Å; M357-I361 PolarHBondContact O-N 2.82Å; Y358-I361 PolarHBondContact O-N 3.02Å
362	K	44.5	Very low	59.1	Low	148 Å²	148	128.9 Å²	128.9	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-77.6	-17.9	177.6	-166.8	176.3	178.5	-177.6	0	113.7	Y358 W360	Y358-K362 HydrophobicContact CE1-CD 4.34Å; Y358-K362 WeakPolarHBondContact O-CB 3.13Å; Y358-K362 PolarHBondContact O-N 2.86Å; W360-K362 VanDerWaalsContact C-N 3.34Å
363	R	53.1	Low	58.3	Low	219 Å²	219	132.2 Å²	132.2	83%	0.826	59%	0.593	S	S	*	*	H	α-helix	trans	-91.4	-13.9	175.2	-82.6	-172.9	-176	178.7	3.7	113.6	H359 W360	H359-R363 WeakPolarHBondContact O-CB 3.48Å; H359-R363 WeakPolarHBondContact O-CG 3.29Å; H359-R363 PolarHBondContact O-N 3.18Å; H359-R363 VanDerWaalsContact O-N 3.13Å; W360-R363 PolarHBondContact O-N 3.01Å
364	R	43.4	Very low	57.5	Low	245 Å²	245	141.3 Å²	141.3	93%	0.925	62%	0.617	S	S	*	*			trans	-89.3	0	163	-79.9	-174.6	176.1	-173.9	-3.6	109.2	W360	W360-R364 PolarHBondContact O-N 3.48Å

Retrieved 364 of 364 residues in 157.1 ms (Link to these results)

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