A0A060XMC7_ONCMY Loading...

Ras-related protein Rab-4

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion.

AlphaFold DB , UniProt , Accession A0A060XMC7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 213 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.9	Very low	83.5	Confident	238 Å²	238	59.5 Å²	59.5	100%	1.172	31%	0.309	S	S	*	.				0	124	0	-69.4	171.9	-177.4	0	0	106	E3	M1-E3 PolarHBondContact O-N 3.28Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2	S	57.1	Low	84.6	Confident	94 Å²	94	54.7 Å²	54.7	66%	0.657	28%	0.284	S	S	*	.			trans	-67.2	114.7	178.2	64.7	0	0	0	0	107.8	T4	S2-T4 PolarHBondContact O-N 3.37Å
3	E	66.1	Low	85.6	Confident	147 Å²	147	50.5 Å²	50.5	69%	0.687	26%	0.262	S	S	*	.			trans	-66.4	101.1	172.8	-64.6	-178.4	165.2	0	0	107.8	M1 I49	M1-E3 PolarHBondContact O-N 3.28Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-I49 HydrophobicContact CB-CD1 3.44Å; E3-I49 VanDerWaalsContact CB-CD1 3.44Å
4	T	87.1	Confident	86.3	Confident	60 Å²	60	46.9 Å²	46.9	37%	0.368	24%	0.243	S	C	.	.			trans	-72.3	135.7	179.7	49.4	0	0	0	0	109.5	S2	S2-T4 PolarHBondContact O-N 3.37Å
5	Y	92.1	Very high	87	Confident	38 Å²	38	43.8 Å²	43.8	15%	0.149	23%	0.228	C	C	.	.			trans	-129.5	156.4	175.7	54.9	-91	0	0	0	110.3	F7 L8 I49 K58 G190 D191 A192	Y5-F7 VanDerWaalsContact CD2-O 3.29Å; Y5-F7 WeakPolarHBondContact CD2-O 3.25Å; Y5-L8 HydrophobicContact CD2-CB 4.27Å; Y5-L8 HydrophobicContact CE2-CB 3.72Å; Y5-L8 HydrophobicContact CE2-CD1 4.32Å; Y5-I49 HydrophobicContact CD1-CD1 4.05Å; Y5-K58 HydrophobicContact CD1-CB 3.85Å; Y5-K58 HydrophobicContact CD1-CD 3.72Å; Y5-K58 HydrophobicContact CD1-CG 4.41Å; Y5-K58 HydrophobicContact CD2-CB 3.9Å; Y5-K58 HydrophobicContact CE1-CB 4.22Å; Y5-K58 HydrophobicContact CE1-CD 3.42Å; Y5-K58 VanDerWaalsContact CE1-CD 3.42Å; Y5-K58 HydrophobicContact CE1-CG 4.46Å; Y5-K58 HydrophobicContact CE2-CB 4.28Å; Y5-K58 HydrophobicContact CG-CB 3.67Å; Y5-K58 HydrophobicContact CG-CD 4.39Å; Y5-G190 CarbonylContact O-C 3.36Å; Y5-G190 VanDerWaalsContact O-CA 3.26Å; Y5-G190 WeakPolarHBondContact O-CA 3.29Å; Y5-D191 PolarHBondContact O-N 3.49Å; Y5-A192 WeakPolarHBondContact O-CB 3.35Å; Y5-A192 PolarHBondContact O-N 3.29Å
6	D	92.7	Very high	87.5	Confident	18 Å²	18	43 Å²	43	10%	0.096	22%	0.224	C	C	.	.	S	Bend	trans	-87.7	-38.9	177.9	-57.9	-64.3	0	0	0	111.1	K55 Y56 G190 A192 A193	D6-K55 WeakPolarHBondContact OD2-CA 3.28Å; D6-Y56 PolarHBondContact N-O 3.21Å; D6-Y56 PolarHBondContact OD2-N 3.28Å; D6-G190 PolarHBondContact O-N 2.77Å; D6-A192 WeakPolarHBondContact OD1-CB 3.45Å; D6-A193 VanDerWaalsContact O-CB 3.23Å; D6-A193 WeakPolarHBondContact O-CB 3.26Å
7	F	94.5	Very high	87.9	Confident	16 Å²	16	42.8 Å²	42.8	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.8	-178.7	-63.3	-87.7	0	0	0	111.2	Y5 F9 K55 Y56 V57 K58 L170 I173 I187 Q188 Y189	Y5-F7 VanDerWaalsContact CD2-O 3.29Å; Y5-F7 WeakPolarHBondContact CD2-O 3.25Å; F7-F9 HydrophobicContact CB-CD1 4.29Å; F7-F9 HydrophobicContact CB-CE1 3.66Å; F7-F9 HydrophobicContact CB-CZ 3.93Å; F7-F9 HydrophobicContact CD1-CE1 4.18Å; F7-F9 HydrophobicContact CG-CE1 4.14Å; F7-F9 HydrophobicContact CG-CZ 4.27Å; F7-K55 HydrophobicContact CD2-CD 4.45Å; F7-K55 HydrophobicContact CE2-CD 3.86Å; F7-Y56 PolarHBondContact N-O 2.92Å; F7-V57 HydrophobicContact CB-CG1 4.38Å; F7-V57 HydrophobicContact CB-CG2 4.42Å; F7-V57 CarbonylContact O-C 3.55Å; F7-V57 WeakPolarHBondContact O-CA 3.49Å; F7-K58 PolarHBondContact O-N 3.46Å; F7-L170 HydrophobicContact CD2-CD2 3.74Å; F7-L170 HydrophobicContact CE2-CD2 3.88Å; F7-L170 HydrophobicContact CG-CD2 4.18Å; F7-L170 HydrophobicContact CZ-CD2 4.37Å; F7-I173 HydrophobicContact CD1-CD1 4.32Å; F7-I173 HydrophobicContact CE1-CD1 4.27Å; F7-I187 HydrophobicContact CD1-CG2 4.34Å; F7-Q188 CarbonylContact C-O 3.39Å; F7-Q188 WeakPolarHBondContact CA-O 3.49Å; F7-Y189 HydrophobicContact CD1-CD1 4.21Å; F7-Y189 HydrophobicContact CD1-CE1 4.32Å; F7-Y189 AromaticContact CE1-CD1 3.79Å; F7-Y189 HydrophobicContact CE1-CD1 3.79Å; F7-Y189 AromaticContact CE1-CE1 3.5Å; F7-Y189 HydrophobicContact CE1-CE1 3.5Å; F7-Y189 HydrophobicContact CZ-CD1 4.39Å; F7-Y189 HydrophobicContact CZ-CE1 4.04Å
8	L	95.3	Very high	88.2	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.2	166.5	177.1	160.4	0	0	0	108.4	Y5 K58 Q60 I187 Q188	Y5-L8 HydrophobicContact CD2-CB 4.27Å; Y5-L8 HydrophobicContact CE2-CB 3.72Å; Y5-L8 HydrophobicContact CE2-CD1 4.32Å; L8-K58 CarbonylContact C-O 3.58Å; L8-K58 VanDerWaalsContact CA-O 3.27Å; L8-K58 WeakPolarHBondContact CA-O 3.22Å; L8-K58 HydrophobicContact CB-CB 4.46Å; L8-K58 HydrophobicContact CD1-CD 4.48Å; L8-Q60 HydrophobicContact CD1-CG 4.26Å; L8-Q60 HydrophobicContact CD2-CG 4.29Å; L8-Q60 HydrophobicContact CG-CG 4.23Å; L8-I187 CarbonylContact O-C 3.55Å; L8-I187 WeakPolarHBondContact O-CA 3.26Å; L8-Q188 HydrophobicContact CB-CB 4.25Å; L8-Q188 HydrophobicContact CD2-CB 4.49Å; L8-Q188 HydrophobicContact CD2-CG 4.48Å; L8-Q188 PolarHBondContact N-O 3.32Å; L8-Q188 PolarHBondContact O-N 3.45Å
9	F	96.8	Very high	88.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133	176	-58.9	-25.7	0	0	0	110.8	F7 F11 V57 K58 L59 Q60 A166 I169 L170 I173 I187	F7-F9 HydrophobicContact CB-CD1 4.29Å; F7-F9 HydrophobicContact CB-CE1 3.66Å; F7-F9 HydrophobicContact CB-CZ 3.93Å; F7-F9 HydrophobicContact CD1-CE1 4.18Å; F7-F9 HydrophobicContact CG-CE1 4.14Å; F7-F9 HydrophobicContact CG-CZ 4.27Å; F9-F11 HydrophobicContact CB-CD1 3.97Å; F9-F11 HydrophobicContact CB-CE1 3.65Å; F9-F11 HydrophobicContact CD2-CE1 4.13Å; F9-F11 HydrophobicContact CG-CE1 4.34Å; F9-V57 HydrophobicContact CD1-CG1 4.49Å; F9-V57 HydrophobicContact CD2-CG1 3.31Å; F9-V57 HydrophobicContact CE2-CG1 3.46Å; F9-V57 VanDerWaalsContact CE2-CG1 3.46Å; F9-V57 HydrophobicContact CE2-CG2 4.25Å; F9-V57 HydrophobicContact CG-CG1 3.86Å; F9-V57 HydrophobicContact CZ-CG1 4.12Å; F9-K58 PolarHBondContact N-O 3.47Å; F9-L59 HydrophobicContact CB-CD2 4.03Å; F9-L59 HydrophobicContact CD2-CD2 4.07Å; F9-Q60 PolarHBondContact O-N 2.91Å; F9-A166 HydrophobicContact CD2-CB 4.26Å; F9-A166 HydrophobicContact CE2-CB 4.27Å; F9-I169 HydrophobicContact CD1-CG2 4.19Å; F9-I169 HydrophobicContact CD2-CB 4.37Å; F9-I169 HydrophobicContact CD2-CD1 4.22Å; F9-I169 HydrophobicContact CD2-CG2 4.17Å; F9-I169 HydrophobicContact CE1-CG2 3.83Å; F9-I169 HydrophobicContact CE2-CB 3.99Å; F9-I169 HydrophobicContact CE2-CG2 3.8Å; F9-I169 HydrophobicContact CG-CG2 4.38Å; F9-I169 HydrophobicContact CZ-CB 4.27Å; F9-I169 HydrophobicContact CZ-CG2 3.63Å; F9-L170 HydrophobicContact CE2-CD2 4.42Å; F9-L170 HydrophobicContact CE2-CG 4.07Å; F9-L170 HydrophobicContact CZ-CD2 3.79Å; F9-L170 HydrophobicContact CZ-CG 3.9Å; F9-I173 HydrophobicContact CE1-CD1 3.89Å; F9-I173 HydrophobicContact CZ-CD1 3.98Å; F9-I187 HydrophobicContact CD1-CB 4.25Å; F9-I187 HydrophobicContact CD1-CG1 3.83Å; F9-I187 HydrophobicContact CD1-CG2 3.9Å; F9-I187 HydrophobicContact CE1-CB 4.4Å; F9-I187 HydrophobicContact CE1-CG1 4.03Å; F9-I187 HydrophobicContact CE1-CG2 3.66Å
10	K	96.1	Very high	89	Confident	37 Å²	37	39.3 Å²	39.3	16%	0.161	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120	169.9	177.9	172.1	163.3	-168.2	0	110.4	Q60 Y77 R79 G80 A82 G83 G186	K10-Q60 CarbonylContact C-O 3.54Å; K10-Q60 WeakPolarHBondContact CA-O 3.42Å; K10-Y77 WeakPolarHBondContact CE-O 3.36Å; K10-Y77 PolarHBondContact NZ-O 2.81Å; K10-R79 PolarHBondContact NZ-O 2.93Å; K10-G80 WeakPolarHBondContact CD-O 3.21Å; K10-A82 PolarHBondContact O-N 2.73Å; K10-G83 PolarHBondContact O-N 3.39Å; K10-G186 PolarHBondContact N-O 3.43Å
11	F	97.6	Very high	89.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.2	-179.8	-84	28.6	0	0	0	111.3	F9 L59 Q60 I61 W62 G83 L85 F162 C165 A166 I169	F9-F11 HydrophobicContact CB-CD1 3.97Å; F9-F11 HydrophobicContact CB-CE1 3.65Å; F9-F11 HydrophobicContact CD2-CE1 4.13Å; F9-F11 HydrophobicContact CG-CE1 4.34Å; F11-L59 HydrophobicContact CD1-CD2 4.36Å; F11-L59 HydrophobicContact CD2-CD1 4.34Å; F11-L59 HydrophobicContact CD2-CD2 4.5Å; F11-L59 HydrophobicContact CE1-CD2 3.93Å; F11-L59 HydrophobicContact CE2-CD1 4.01Å; F11-L59 HydrophobicContact CE2-CD2 4.06Å; F11-L59 HydrophobicContact CZ-CD1 4.5Å; F11-L59 HydrophobicContact CZ-CD2 3.77Å; F11-Q60 PolarHBondContact N-O 3.21Å; F11-I61 HydrophobicContact CB-CB 4.42Å; F11-I61 HydrophobicContact CB-CG1 4.05Å; F11-I61 HydrophobicContact CB-CG2 4.34Å; F11-W62 PolarHBondContact O-N 2.89Å; F11-G83 VanDerWaalsContact CA-O 3.28Å; F11-G83 WeakPolarHBondContact CA-O 3.44Å; F11-L85 HydrophobicContact CD2-CD1 4.43Å; F11-F162 HydrophobicContact CD2-CD1 4.07Å; F11-F162 HydrophobicContact CE2-CD1 4.38Å; F11-C165 HydrophobicContact CE2-CB 3.61Å; F11-C165 HydrophobicContact CZ-CB 3.75Å; F11-C165 VanDerWaalsContact CZ-SG 3.55Å; F11-A166 HydrophobicContact CZ-CB 4.16Å; F11-I169 HydrophobicContact CD1-CD1 4.45Å; F11-I169 HydrophobicContact CE1-CD1 3.42Å; F11-I169 VanDerWaalsContact CE1-CD1 3.42Å; F11-I169 HydrophobicContact CZ-CD1 3.87Å
12	L	96.8	Very high	91.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.3	168.5	-53.4	172.6	0	0	0	110.3	I14 W62 Y78 A81 G83 A84 L85	L12-I14 HydrophobicContact CB-CG2 3.91Å; L12-I14 HydrophobicContact CD1-CG2 4.46Å; L12-W62 CarbonylContact C-O 3.58Å; L12-W62 WeakPolarHBondContact CA-O 3.49Å; L12-W62 HydrophobicContact CD2-CB 3.86Å; L12-W62 HydrophobicContact CD2-CG 4.39Å; L12-Y78 HydrophobicContact CD1-CD1 4.13Å; L12-Y78 HydrophobicContact CD1-CD2 4.2Å; L12-Y78 HydrophobicContact CD1-CE1 4.48Å; L12-Y78 HydrophobicContact CD1-CG 3.98Å; L12-A81 HydrophobicContact CD1-CB 3.64Å; L12-A81 HydrophobicContact CD2-CB 4.3Å; L12-A81 HydrophobicContact CG-CB 3.63Å; L12-G83 PolarHBondContact N-O 3.11Å; L12-G83 VanDerWaalsContact N-O 3.08Å; L12-A84 HydrophobicContact CB-CB 4.08Å; L12-A84 CarbonylContact O-C 3.59Å; L12-A84 VanDerWaalsContact O-CA 3.24Å; L12-A84 WeakPolarHBondContact O-CA 3.35Å; L12-L85 PolarHBondContact O-N 3.13Å
13	V	97.2	Very high	93.7	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116	162	-166.6	0	0	0	0	107.3	K21 I61 W62 T64 L85 V87 F162	V13-K21 HydrophobicContact CB-CB 4.41Å; V13-K21 HydrophobicContact CG1-CB 3.61Å; V13-K21 HydrophobicContact CG1-CD 4.12Å; V13-K21 HydrophobicContact CG1-CG 3.79Å; V13-I61 HydrophobicContact CG2-CG2 3.61Å; V13-W62 PolarHBondContact N-O 3.28Å; V13-T64 PolarHBondContact O-N 3.27Å; V13-T64 PolarHBondContact O-OG1 2.94Å; V13-L85 HydrophobicContact CG1-CB 4.31Å; V13-V87 HydrophobicContact CG1-CG2 3.71Å; V13-F162 HydrophobicContact CG2-CE1 4.42Å; V13-F162 HydrophobicContact CG2-CZ 4.44Å
14	I	96.5	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.2	-171.2	63.6	171.3	0	0	0	111.3	L12 K21 T64 Y78 L85 L86 V87 W102 A106	L12-I14 HydrophobicContact CB-CG2 3.91Å; L12-I14 HydrophobicContact CD1-CG2 4.46Å; I14-K21 VanDerWaalsContact C-CD 3.44Å; I14-T64 HydrophobicContact CG2-CG2 4.29Å; I14-Y78 HydrophobicContact CD1-CE1 4.47Å; I14-Y78 HydrophobicContact CG2-CE2 4.37Å; I14-Y78 WeakPolarHBondContact CG2-OH 3.29Å; I14-L85 PolarHBondContact N-O 3.2Å; I14-L86 HydrophobicContact CD1-CD1 4.05Å; I14-L86 HydrophobicContact CG1-CB 4.34Å; I14-L86 HydrophobicContact CG1-CD1 3.88Å; I14-V87 PolarHBondContact O-N 3Å; I14-W102 HydrophobicContact CB-CE3 4.11Å; I14-W102 HydrophobicContact CB-CZ3 4.46Å; I14-A106 HydrophobicContact CD1-CB 3.79Å
15	G	96.4	Very high	95.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.01	9%	0.088	C	C	.	.	S	Bend	trans	138.2	170	-175.6	0	0	0	0	0	112.3	K21 G66 V87 W102	G15-K21 WeakPolarHBondContact O-CE 3.42Å; G15-K21 PolarHBondContact O-NZ 3.39Å; G15-G66 WeakPolarHBondContact O-CA 3.46Å; G15-V87 WeakPolarHBondContact CA-O 3.39Å; G15-W102 WeakPolarHBondContact O-CZ2 3.3Å
16	N	95.1	Very high	95.7	Very high	31 Å²	31	12.8 Å²	12.8	17%	0.166	9%	0.086	C	C	.	.			trans	-57.3	160.1	-176	-83.7	28.3	0	0	0	113.3	T19 K21 T95 A98 W102	N16-T19 HydrophobicContact CB-CG2 4.02Å; N16-T19 WeakPolarHBondContact O-CG2 3.46Å; N16-T19 PolarHBondContact O-OG1 3.17Å; N16-K21 PolarHBondContact O-NZ 3.23Å; N16-T95 HydrophobicContact CB-CG2 3.99Å; N16-A98 VanDerWaalsContact OD1-CB 3.28Å; N16-A98 WeakPolarHBondContact OD1-CB 3.5Å; N16-W102 PolarHBondContact OD1-NE1 3.25Å
17	A	93.4	Very high	96	Very high	39 Å²	39	12.8 Å²	12.8	32%	0.322	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	146.7	171.5	0	0	0	0	0	110.5	T19 G66 Q67	A17-T19 VanDerWaalsContact C-N 3.26Å; A17-T19 PolarHBondContact O-N 3.23Å; A17-G66 PolarHBondContact N-O 3.17Å; A17-Q67 HydrophobicContact CB-CG 3.75Å
18	G	93.4	Very high	96.1	Very high	45 Å²	45	12 Å²	12	46%	0.464	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-3.8	176.7	0	0	0	0	0	116.1	G20 K122	G18-G20 PolarHBondContact O-N 3.37Å; G18-K122 VanDerWaalsContact O-CE 3.3Å; G18-K122 WeakPolarHBondContact O-CE 3.46Å; G18-K122 PolarHBondContact O-NZ 3.42Å
19	T	96.6	Very high	96.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-74.2	-7.1	177.6	60.6	0	0	0	0	114.2	N16 A17 D89 T95 N121	N16-T19 HydrophobicContact CB-CG2 4.02Å; N16-T19 WeakPolarHBondContact O-CG2 3.46Å; N16-T19 PolarHBondContact O-OG1 3.17Å; A17-T19 VanDerWaalsContact C-N 3.26Å; A17-T19 PolarHBondContact O-N 3.23Å; T19-D89 HydrophobicContact CG2-CB 4.22Å; T19-T95 HydrophobicContact CG2-CG2 3.66Å; T19-N121 PolarHBondContact O-ND2 2.91Å
20	G	96	Very high	95.9	Very high	14 Å²	14	19.6 Å²	19.6	14%	0.144	12%	0.118	C	C	.	.			trans	89.5	22.8	176.4	0	0	0	0	0	115.8	G18 S22 C23 L24	G18-G20 PolarHBondContact O-N 3.37Å; G20-S22 PolarHBondContact O-N 3.18Å; G20-C23 PolarHBondContact O-N 3.19Å; G20-L24 WeakPolarHBondContact O-CG 3.5Å; G20-L24 PolarHBondContact O-N 3.29Å
21	K	96.3	Very high	95.8	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-53.3	-51	176.9	-61	-173.2	-59.5	-67.5	0	113.6	V13 I14 G15 N16 C23 L24 L25 D63 T64 V87	V13-K21 HydrophobicContact CB-CB 4.41Å; V13-K21 HydrophobicContact CG1-CB 3.61Å; V13-K21 HydrophobicContact CG1-CD 4.12Å; V13-K21 HydrophobicContact CG1-CG 3.79Å; I14-K21 VanDerWaalsContact C-CD 3.44Å; G15-K21 WeakPolarHBondContact O-CE 3.42Å; G15-K21 PolarHBondContact O-NZ 3.39Å; N16-K21 PolarHBondContact O-NZ 3.23Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.05Å; K21-L24 WeakPolarHBondContact O-CB 3.23Å; K21-L24 PolarHBondContact O-N 3.15Å; K21-L25 PolarHBondContact O-N 3.46Å; K21-D63 WeakPolarHBondContact CB-OD1 3.49Å; K21-T64 WeakPolarHBondContact CE-O 3.35Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG1 4.47Å; K21-V87 HydrophobicContact CG-CG2 4.1Å
22	S	95.2	Very high	95.4	Very high	14 Å²	14	32 Å²	32	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-39.3	178.2	-40.1	0	0	0	0	111.5	G20 L25 H26 T40 D63	G20-S22 PolarHBondContact O-N 3.18Å; S22-L25 PolarHBondContact O-N 3.48Å; S22-H26 WeakPolarHBondContact O-CB 3.23Å; S22-H26 PolarHBondContact O-CD2 3.44Å; S22-H26 PolarHBondContact O-N 3.29Å; S22-T40 PolarHBondContact OG-OG1 3.04Å; S22-D63 WeakPolarHBondContact CA-OD2 3.29Å; S22-D63 VanDerWaalsContact CB-OD2 3.27Å; S22-D63 WeakPolarHBondContact CB-OD2 3.26Å; S22-D63 PolarHBondContact OG-OD2 3.02Å
23	C	96.1	Very high	94.8	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.054	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-39.3	175.9	-53.9	0	0	0	0	111.7	G20 K21 H26 Q27 F33 A152	G20-C23 PolarHBondContact O-N 3.19Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 3.05Å; C23-H26 PolarHBondContact O-N 2.79Å; C23-Q27 WeakPolarHBondContact O-CB 3.43Å; C23-Q27 PolarHBondContact O-N 3.45Å; C23-F33 HydrophobicContact CB-CD2 4.28Å; C23-F33 HydrophobicContact CB-CE2 3.82Å; C23-A152 HydrophobicContact CB-CB 3.65Å
24	L	97.4	Very high	94.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-43.3	173.6	-74.3	171.1	0	0	0	111.6	G20 K21 Q27 F28 V87 N121 A152 V158	G20-L24 WeakPolarHBondContact O-CG 3.5Å; G20-L24 PolarHBondContact O-N 3.29Å; K21-L24 WeakPolarHBondContact O-CB 3.23Å; K21-L24 PolarHBondContact O-N 3.15Å; L24-Q27 PolarHBondContact O-N 3.05Å; L24-F28 VanDerWaalsContact O-CB 3.28Å; L24-F28 WeakPolarHBondContact O-CB 3.27Å; L24-F28 PolarHBondContact O-N 2.62Å; L24-V87 HydrophobicContact CD1-CG1 3.79Å; L24-V87 HydrophobicContact CD1-CG2 3.96Å; L24-N121 HydrophobicContact CD1-CB 4.31Å; L24-A152 HydrophobicContact CD2-CB 3.94Å; L24-A152 HydrophobicContact CG-CB 4.16Å; L24-V158 HydrophobicContact CD2-CB 4.43Å; L24-V158 HydrophobicContact CD2-CG1 4.17Å; L24-V158 HydrophobicContact CD2-CG2 3.64Å
25	L	96.4	Very high	93.1	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-48.8	176.6	179.3	59.3	0	0	0	111.5	K21 S22 F28 I29 I61 D63	K21-L25 PolarHBondContact O-N 3.46Å; S22-L25 PolarHBondContact O-N 3.48Å; L25-F28 PolarHBondContact O-N 2.87Å; L25-I29 HydrophobicContact CD1-CD1 3.52Å; L25-I29 HydrophobicContact CD1-CG1 4.11Å; L25-I29 HydrophobicContact CG-CD1 3.98Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.2Å; L25-I61 HydrophobicContact CD1-CB 3.82Å; L25-I61 HydrophobicContact CD1-CD1 3.77Å; L25-I61 HydrophobicContact CD1-CG1 4.42Å; L25-I61 HydrophobicContact CD1-CG2 3.68Å; L25-D63 HydrophobicContact CD2-CB 3.68Å
26	H	95.2	Very high	92	Very high	23 Å²	23	52.3 Å²	52.3	11%	0.106	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-47.7	176.3	-90.4	-81.7	0	0	0	111.7	S22 C23 F28 I29 E30 K34 E44	S22-H26 WeakPolarHBondContact O-CB 3.23Å; S22-H26 PolarHBondContact O-CD2 3.44Å; S22-H26 PolarHBondContact O-N 3.29Å; C23-H26 PolarHBondContact O-N 2.79Å; H26-F28 VanDerWaalsContact C-N 3.27Å; H26-F28 PolarHBondContact O-N 2.63Å; H26-I29 PolarHBondContact O-N 2.78Å; H26-E30 IonicContact CE1-OE2 2.69Å; H26-E30 IonicContact CG-OE2 2.74Å; H26-E30 IonicContact ND1-OE1 2.71Å; H26-E30 IonicContact ND1-OE2 3.14Å; H26-E30 PolarHBondContact ND1-OE2 2.71Å; H26-E30 WeakPolarHBondContact O-CB 3.41Å; H26-E30 PolarHBondContact O-N 3.13Å; H26-K34 HydrophobicContact CB-CB 4.37Å; H26-K34 VanDerWaalsContact CD2-CD 3.49Å; H26-K34 WeakPolarHBondContact CD2-CD 3.37Å; H26-K34 WeakPolarHBondContact NE2-CD 3.25Å; H26-K34 PolarHBondContact NE2-NZ 2.91Å; H26-E44 IonicContact NE2-OE1 3.89Å
27	Q	97	Very high	90.9	Very high	18 Å²	18	53.4 Å²	53.4	8%	0.084	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-36.1	178.7	-177.5	67.6	-35.1	0	0	111.6	C23 L24 K31 R32 A152 G155 V158	C23-Q27 WeakPolarHBondContact O-CB 3.43Å; C23-Q27 PolarHBondContact O-N 3.45Å; L24-Q27 PolarHBondContact O-N 3.05Å; Q27-K31 VanDerWaalsContact O-CA 3.23Å; Q27-K31 WeakPolarHBondContact O-CA 3.17Å; Q27-K31 PolarHBondContact O-N 2.9Å; Q27-K31 VanDerWaalsContact O-N 3.13Å; Q27-R32 WeakPolarHBondContact CA-O 3.38Å; Q27-R32 PolarHBondContact OE1-O 2.82Å; Q27-A152 VanDerWaalsContact CD-O 3.28Å; Q27-A152 VanDerWaalsContact CG-O 3.28Å; Q27-A152 WeakPolarHBondContact CG-O 3.42Å; Q27-A152 PolarHBondContact NE2-O 3.19Å; Q27-G155 VanDerWaalsContact NE2-N 3.15Å; Q27-V158 HydrophobicContact CB-CG1 4.23Å; Q27-V158 HydrophobicContact CG-CB 4.33Å; Q27-V158 HydrophobicContact CG-CG1 4.13Å; Q27-V158 HydrophobicContact CG-CG2 4.06Å
28	F	97.4	Very high	90.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-44.5	175.1	177.3	-117.3	0	0	0	112.6	L24 L25 H26 K48 I50 L59 I61 V158 E159 F162	L24-F28 VanDerWaalsContact O-CB 3.28Å; L24-F28 WeakPolarHBondContact O-CB 3.27Å; L24-F28 PolarHBondContact O-N 2.62Å; L25-F28 PolarHBondContact O-N 2.87Å; H26-F28 VanDerWaalsContact C-N 3.27Å; H26-F28 PolarHBondContact O-N 2.63Å; F28-K48 HydrophobicContact CD1-CD 4.2Å; F28-K48 HydrophobicContact CE1-CB 3.85Å; F28-K48 HydrophobicContact CE1-CD 3.82Å; F28-K48 HydrophobicContact CE1-CG 4.18Å; F28-K48 HydrophobicContact CE2-CD 4.31Å; F28-K48 HydrophobicContact CZ-CB 4.4Å; F28-K48 HydrophobicContact CZ-CD 3.89Å; F28-K48 HydrophobicContact CZ-CG 4.28Å; F28-K48 PolarHBondContact O-NZ 3.47Å; F28-I50 HydrophobicContact CE2-CG2 4.26Å; F28-I50 HydrophobicContact CZ-CG2 3.71Å; F28-L59 HydrophobicContact CE1-CD1 4.12Å; F28-L59 HydrophobicContact CZ-CD1 4.01Å; F28-I61 HydrophobicContact CD1-CD1 3.75Å; F28-I61 HydrophobicContact CE1-CD1 3.65Å; F28-V158 HydrophobicContact CB-CG1 3.96Å; F28-E159 HydrophobicContact CE2-CG 4.39Å; F28-F162 HydrophobicContact CB-CD2 3.8Å; F28-F162 HydrophobicContact CB-CE2 3.53Å; F28-F162 HydrophobicContact CB-CZ 4.23Å; F28-F162 HydrophobicContact CD1-CD1 4.2Å; F28-F162 AromaticContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CE1 4.34Å; F28-F162 HydrophobicContact CD1-CE2 4.03Å; F28-F162 AromaticContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CZ 4.27Å; F28-F162 HydrophobicContact CD2-CB 4.09Å; F28-F162 AromaticContact CD2-CD2 3.45Å; F28-F162 HydrophobicContact CD2-CD2 3.45Å; F28-F162 VanDerWaalsContact CD2-CD2 3.45Å; F28-F162 HydrophobicContact CD2-CE2 4.12Å; F28-F162 AromaticContact CD2-CG 3.93Å; F28-F162 HydrophobicContact CD2-CG 3.93Å; F28-F162 HydrophobicContact CE1-CB 4.17Å; F28-F162 HydrophobicContact CE1-CD1 4.17Å; F28-F162 HydrophobicContact CE1-CD2 4.28Å; F28-F162 AromaticContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE2-CB 3.64Å; F28-F162 AromaticContact CE2-CD2 3.93Å; F28-F162 HydrophobicContact CE2-CD2 3.93Å; F28-F162 AromaticContact CE2-CG 3.93Å; F28-F162 HydrophobicContact CE2-CG 3.93Å; F28-F162 AromaticContact CG-CD2 3.4Å; F28-F162 HydrophobicContact CG-CD2 3.4Å; F28-F162 VanDerWaalsContact CG-CD2 3.4Å; F28-F162 AromaticContact CG-CE2 3.63Å; F28-F162 HydrophobicContact CG-CE2 3.63Å; F28-F162 AromaticContact CG-CG 3.94Å; F28-F162 HydrophobicContact CG-CG 3.94Å; F28-F162 HydrophobicContact CG-CZ 4.29Å; F28-F162 HydrophobicContact CZ-CB 3.67Å; F28-F162 HydrophobicContact CZ-CD2 4.31Å; F28-F162 AromaticContact CZ-CG 3.94Å; F28-F162 HydrophobicContact CZ-CG 3.94Å
29	I	95.1	Very high	89.7	Confident	56 Å²	56	62.6 Å²	62.6	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-78.6	-56.6	-175.7	-66.2	175.7	0	0	0	111.2	L25 H26 K48	L25-I29 HydrophobicContact CD1-CD1 3.52Å; L25-I29 HydrophobicContact CD1-CG1 4.11Å; L25-I29 HydrophobicContact CG-CD1 3.98Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.2Å; H26-I29 PolarHBondContact O-N 2.78Å; I29-K48 HydrophobicContact CG1-CB 4.47Å
30	E	93.4	Very high	88.7	Confident	111 Å²	111	63.7 Å²	63.7	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-94.6	-9.3	-168.2	-59.2	-179.3	158.1	0	0	113.4	H26 R32	H26-E30 IonicContact CE1-OE2 2.69Å; H26-E30 IonicContact CG-OE2 2.74Å; H26-E30 IonicContact ND1-OE1 2.71Å; H26-E30 IonicContact ND1-OE2 3.14Å; H26-E30 PolarHBondContact ND1-OE2 2.71Å; H26-E30 WeakPolarHBondContact O-CB 3.41Å; H26-E30 PolarHBondContact O-N 3.13Å; E30-R32 PolarHBondContact O-N 2.82Å
31	K	92.9	Very high	87.8	Confident	106 Å²	106	69.7 Å²	69.7	46%	0.461	34%	0.342	S	S	.	.	S	Bend	trans	55.1	31.2	-175	-58.5	-62.9	-166.6	175.6	0	112.5	Q27 E159	Q27-K31 VanDerWaalsContact O-CA 3.23Å; Q27-K31 WeakPolarHBondContact O-CA 3.17Å; Q27-K31 PolarHBondContact O-N 2.9Å; Q27-K31 VanDerWaalsContact O-N 3.13Å; K31-E159 IonicContact NZ-OE1 3.85Å; K31-E159 IonicContact NZ-OE2 3.73Å; K31-E159 PolarHBondContact NZ-OE2 2.97Å
32	R	89.2	Confident	86.8	Confident	192 Å²	192	69.9 Å²	69.9	73%	0.725	35%	0.346	S	S	*	.	S	Bend	trans	-136.1	144.9	175.4	-66.6	-177.3	-178	-179.1	0	111	Q27 E30	Q27-R32 WeakPolarHBondContact CA-O 3.38Å; Q27-R32 PolarHBondContact OE1-O 2.82Å; E30-R32 PolarHBondContact O-N 2.82Å
33	F	85.6	Confident	86.2	Confident	74 Å²	74	70.7 Å²	70.7	33%	0.325	35%	0.35	S	S	.	.			trans	-75.7	142.5	169.1	-174.2	-114.4	0	0	0	110.5	C23 D35 A152 L153	C23-F33 HydrophobicContact CB-CD2 4.28Å; C23-F33 HydrophobicContact CB-CE2 3.82Å; F33-D35 HydrophobicContact CE1-CB 4.43Å; F33-D35 VanDerWaalsContact CE1-OD1 3.3Å; F33-D35 WeakPolarHBondContact CE1-OD1 3.32Å; F33-A152 HydrophobicContact CD2-CB 4.26Å; F33-A152 WeakPolarHBondContact CD2-O 3.12Å; F33-A152 HydrophobicContact CE2-CB 4.18Å; F33-L153 HydrophobicContact CB-CD1 4.28Å; F33-L153 HydrophobicContact CD1-CD1 3.56Å; F33-L153 HydrophobicContact CD2-CB 4.35Å; F33-L153 HydrophobicContact CD2-CD1 4.38Å; F33-L153 HydrophobicContact CE1-CD1 3.9Å; F33-L153 HydrophobicContact CE2-CB 4.43Å; F33-L153 HydrophobicContact CG-CD1 3.81Å; F33-L153 HydrophobicContact CZ-CD1 4.45Å
34	K	83.6	Confident	85.8	Confident	70 Å²	70	73.8 Å²	73.8	30%	0.304	36%	0.364	S	S	.	.			trans	-107.9	97.2	177	-176.4	178.1	-175.3	179.5	0	108.3	H26	H26-K34 HydrophobicContact CB-CB 4.37Å; H26-K34 VanDerWaalsContact CD2-CD 3.49Å; H26-K34 WeakPolarHBondContact CD2-CD 3.37Å; H26-K34 WeakPolarHBondContact NE2-CD 3.25Å; H26-K34 PolarHBondContact NE2-NZ 2.91Å
35	D	72.9	Confident	85.5	Confident	136 Å²	136	78 Å²	78	73%	0.727	38%	0.382	S	S	*	.	S	Bend	trans	-64	-41.3	-179.5	-109.5	-31.5	0	0	0	111.9	F33 S37	F33-D35 HydrophobicContact CE1-CB 4.43Å; F33-D35 VanDerWaalsContact CE1-OD1 3.3Å; F33-D35 WeakPolarHBondContact CE1-OD1 3.32Å; D35-S37 VanDerWaalsContact C-N 3.32Å; D35-S37 PolarHBondContact O-N 2.84Å; D35-S37 VanDerWaalsContact O-N 3.11Å
36	D	74.1	Confident	85.4	Confident	147 Å²	147	78.2 Å²	78.2	79%	0.786	39%	0.385	S	S	*	.			trans	-90.8	55.6	-177.9	-64.4	-34.2	0	0	0	112.6	N38	D36-N38 PolarHBondContact O-N 2.75Å
37	S	72.6	Confident	85.5	Confident	54 Å²	54	79.7 Å²	79.7	38%	0.378	40%	0.398	S	S	.	.			trans	-82	98.1	176.1	72.7	0	0	0	0	111.3	D35	D35-S37 VanDerWaalsContact C-N 3.32Å; D35-S37 PolarHBondContact O-N 2.84Å; D35-S37 VanDerWaalsContact O-N 3.11Å
38	N	79.4	Confident	85.4	Confident	151 Å²	151	81 Å²	81	81%	0.807	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-63.7	158	164.9	-74.7	-36.1	0	0	0	110.9	D36 T40	D36-N38 PolarHBondContact O-N 2.75Å; N38-T40 PolarHBondContact O-N 3.12Å
39	H	81.1	Confident	85.4	Confident	126 Å²	126	82.8 Å²	82.8	58%	0.583	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-58.8	128.6	173.7	-67	-48.6	0	0	0	111.7	I41	H39-I41 PolarHBondContact O-N 2.93Å
40	T	76.8	Confident	85.4	Confident	24 Å²	24	80.6 Å²	80.6	15%	0.147	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-61	124.6	174.1	-40.7	0	0	0	0	110.5	S22 N38 E44 D63 A65	S22-T40 PolarHBondContact OG-OG1 3.04Å; N38-T40 PolarHBondContact O-N 3.12Å; T40-E44 HydrophobicContact CG2-CB 4.41Å; T40-D63 PolarHBondContact OG1-OD2 3.05Å; T40-A65 VanDerWaalsContact O-CB 3.24Å; T40-A65 WeakPolarHBondContact O-CB 3.47Å
41	I	76.1	Confident	85.5	Confident	140 Å²	140	79.1 Å²	79.1	72%	0.718	40%	0.397	S	S	*	.			trans	-100	115.6	172.3	-58.8	176.8	0	0	0	107.5	H39 V43 F70	H39-I41 PolarHBondContact O-N 2.93Å; I41-V43 PolarHBondContact O-N 2.79Å; I41-F70 HydrophobicContact CG2-CE1 4.32Å; I41-F70 HydrophobicContact CG2-CZ 4.22Å
42	G	75.3	Confident	85.6	Confident	12 Å²	12	74.3 Å²	74.3	12%	0.124	38%	0.377	C	S	.	.	S	Bend	trans	76.3	-112.4	-176.9	0	0	0	0	0	112.2	A65	G42-A65 WeakPolarHBondContact O-CB 3.46Å; G42-A65 PolarHBondContact O-N 3.28Å
43	V	81.9	Confident	85.4	Confident	31 Å²	31	68.5 Å²	68.5	19%	0.188	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.4	-174.9	-174.1	0	0	0	0	110.3	I41 W62 D63 T64 T74 Y77	I41-V43 PolarHBondContact O-N 2.79Å; V43-W62 HydrophobicContact CG1-CB 3.84Å; V43-W62 HydrophobicContact CG1-CD2 4.22Å; V43-W62 HydrophobicContact CG1-CE3 3.49Å; V43-W62 VanDerWaalsContact CG1-CE3 3.49Å; V43-W62 HydrophobicContact CG1-CG 4.42Å; V43-W62 HydrophobicContact CG1-CZ3 4.34Å; V43-D63 CarbonylContact C-O 3.51Å; V43-D63 VanDerWaalsContact CA-O 3.23Å; V43-D63 WeakPolarHBondContact CA-O 3.38Å; V43-D63 WeakPolarHBondContact CG1-O 3.43Å; V43-T64 HydrophobicContact CG2-CG2 4.5Å; V43-T74 HydrophobicContact CG2-CG2 4.3Å; V43-Y77 HydrophobicContact CB-CD2 4.42Å; V43-Y77 HydrophobicContact CB-CE1 4.29Å; V43-Y77 HydrophobicContact CB-CE2 4.13Å; V43-Y77 HydrophobicContact CG1-CD1 4.15Å; V43-Y77 HydrophobicContact CG1-CE1 4.21Å; V43-Y77 HydrophobicContact CG1-CG 4.37Å; V43-Y77 HydrophobicContact CG2-CD1 4.41Å; V43-Y77 HydrophobicContact CG2-CD2 3.52Å; V43-Y77 HydrophobicContact CG2-CE1 4.38Å; V43-Y77 HydrophobicContact CG2-CE2 3.47Å; V43-Y77 VanDerWaalsContact CG2-CE2 3.47Å; V43-Y77 HydrophobicContact CG2-CG 4Å
44	E	88.1	Confident	85.5	Confident	72 Å²	72	71.8 Å²	71.8	34%	0.336	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.1	171.6	-173.8	170	-175.2	0	0	110.3	H26 T40 W62 D63	H26-E44 IonicContact NE2-OE1 3.89Å; T40-E44 HydrophobicContact CG2-CB 4.41Å; E44-W62 CarbonylContact O-C 3.26Å; E44-W62 WeakPolarHBondContact O-CA 3.42Å; E44-D63 HydrophobicContact CB-CB 4.29Å; E44-D63 PolarHBondContact N-O 3.47Å; E44-D63 PolarHBondContact O-N 3.17Å
45	F	92.1	Very high	86	Confident	91 Å²	91	71.1 Å²	71.1	40%	0.399	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131	-177.2	175	-97.2	0	0	0	111.2	Q60 W62	F45-Q60 HydrophobicContact CE2-CB 3.85Å; F45-Q60 HydrophobicContact CE2-CG 4Å; F45-Q60 HydrophobicContact CZ-CB 4.28Å; F45-Q60 HydrophobicContact CZ-CG 3.96Å; F45-W62 HydrophobicContact CB-CE3 3.98Å; F45-W62 HydrophobicContact CB-CH2 4.39Å; F45-W62 HydrophobicContact CB-CZ3 3.81Å; F45-W62 AromaticContact CD2-CD2 3.98Å; F45-W62 HydrophobicContact CD2-CD2 3.98Å; F45-W62 AromaticContact CD2-CE2 3.85Å; F45-W62 HydrophobicContact CD2-CE3 4Å; F45-W62 AromaticContact CD2-CH2 3.95Å; F45-W62 HydrophobicContact CD2-CH2 3.95Å; F45-W62 AromaticContact CD2-CZ2 3.85Å; F45-W62 HydrophobicContact CD2-CZ2 3.85Å; F45-W62 HydrophobicContact CD2-CZ3 4.02Å; F45-W62 HydrophobicContact CE2-CZ2 4.3Å; F45-W62 HydrophobicContact CG-CE3 4.49Å; F45-W62 HydrophobicContact CG-CH2 4.45Å; F45-W62 HydrophobicContact CG-CZ3 4.3Å
46	G	94.3	Very high	87	Confident	8 Å²	8	70.2 Å²	70.2	8%	0.082	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.4	170.5	0	0	0	0	0	111.6	I61	G46-I61 PolarHBondContact N-O 2.79Å; G46-I61 PolarHBondContact O-N 3.32Å
47	S	96	Very high	88.1	Confident	55 Å²	55	63.2 Å²	63.2	39%	0.385	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.7	172.4	75	0	0	0	0	112.5	L59	S47-L59 WeakPolarHBondContact CA-O 3.28Å; S47-L59 WeakPolarHBondContact CB-O 3.37Å
48	K	95.9	Very high	89.3	Confident	45 Å²	45	63.3 Å²	63.3	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	137.9	177.6	-178.7	161.1	178.9	162.8	0	110.5	F28 I29 I50 L59	F28-K48 HydrophobicContact CD1-CD 4.2Å; F28-K48 HydrophobicContact CE1-CB 3.85Å; F28-K48 HydrophobicContact CE1-CD 3.82Å; F28-K48 HydrophobicContact CE1-CG 4.18Å; F28-K48 HydrophobicContact CE2-CD 4.31Å; F28-K48 HydrophobicContact CZ-CB 4.4Å; F28-K48 HydrophobicContact CZ-CD 3.89Å; F28-K48 HydrophobicContact CZ-CG 4.28Å; F28-K48 PolarHBondContact O-NZ 3.47Å; I29-K48 HydrophobicContact CG1-CB 4.47Å; K48-I50 HydrophobicContact CG-CG2 4.23Å; K48-L59 PolarHBondContact N-O 2.92Å; K48-L59 VanDerWaalsContact N-O 3.12Å; K48-L59 PolarHBondContact O-N 3.42Å
49	I	96.4	Very high	90.1	Very high	38 Å²	38	56.1 Å²	56.1	20%	0.195	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131	170.6	-64.5	173.5	0	0	0	108.4	E3 Y5 Y56 V57 K58	E3-I49 HydrophobicContact CB-CD1 3.44Å; E3-I49 VanDerWaalsContact CB-CD1 3.44Å; Y5-I49 HydrophobicContact CD1-CD1 4.05Å; I49-Y56 HydrophobicContact CG2-CD1 4.07Å; I49-V57 WeakPolarHBondContact CA-O 3.32Å; I49-K58 HydrophobicContact CD1-CB 4.49Å; I49-K58 HydrophobicContact CD1-CD 4.47Å; I49-K58 HydrophobicContact CG1-CB 3.83Å; I49-K58 HydrophobicContact CG1-CD 4.34Å; I49-K58 HydrophobicContact CG1-CG 3.89Å
50	I	96.5	Very high	90.9	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.6	176.1	57.9	168.3	0	0	0	110.2	F28 K48 V52 Y56 V57 L59 V163 A166	F28-I50 HydrophobicContact CE2-CG2 4.26Å; F28-I50 HydrophobicContact CZ-CG2 3.71Å; K48-I50 HydrophobicContact CG-CG2 4.23Å; I50-V52 HydrophobicContact CD1-CG2 3.62Å; I50-V52 HydrophobicContact CG1-CG2 3.97Å; I50-Y56 WeakPolarHBondContact O-CA 3.17Å; I50-V57 HydrophobicContact CG1-CB 4.22Å; I50-V57 PolarHBondContact N-O 3.35Å; I50-V57 PolarHBondContact O-N 3.43Å; I50-L59 HydrophobicContact CD1-CD1 3.69Å; I50-L59 HydrophobicContact CD1-CD2 4.49Å; I50-L59 HydrophobicContact CD1-CG 4.13Å; I50-L59 HydrophobicContact CG1-CD1 4.21Å; I50-L59 HydrophobicContact CG1-CG 4.22Å; I50-V163 HydrophobicContact CD1-CG2 4.09Å; I50-A166 HydrophobicContact CD1-CB 3.85Å
51	N	95	Very high	91.9	Very high	80 Å²	80	51.6 Å²	51.6	43%	0.428	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.7	171.5	-177.9	-7	0	0	0	109.2	N54 Y56	N51-N54 VanDerWaalsContact OD1-CA 3.29Å; N51-N54 WeakPolarHBondContact OD1-CA 3.41Å; N51-N54 PolarHBondContact OD1-N 3.24Å; N51-Y56 HydrophobicContact CB-CD1 4.42Å; N51-Y56 HydrophobicContact CB-CE1 4.25Å
52	V	94.6	Very high	92.8	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	102.8	176.5	-172.8	0	0	0	0	108.5	I50 N54 K55 V57 V163 A166 R167 L170	I50-V52 HydrophobicContact CD1-CG2 3.62Å; I50-V52 HydrophobicContact CG1-CG2 3.97Å; V52-N54 PolarHBondContact O-N 3.3Å; V52-K55 PolarHBondContact N-O 2.96Å; V52-K55 PolarHBondContact O-N 2.83Å; V52-K55 VanDerWaalsContact O-N 3.15Å; V52-V57 HydrophobicContact CG2-CG2 4.48Å; V52-V163 HydrophobicContact CG2-CG1 4.44Å; V52-A166 HydrophobicContact CG2-CB 4.12Å; V52-R167 HydrophobicContact CG1-CB 3.73Å; V52-R167 HydrophobicContact CG1-CG 4.11Å; V52-L170 HydrophobicContact CB-CD1 3.81Å; V52-L170 HydrophobicContact CG1-CD1 3.81Å
53	G	86.1	Confident	93.6	Very high	71 Å²	71	47.2 Å²	47.2	73%	0.732	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	45.2	177.1	0	0	0	0	0	113.5	K55	G53-K55 PolarHBondContact O-N 3.44Å
54	N	87.8	Confident	94	Very high	142 Å²	142	45.8 Å²	45.8	76%	0.759	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	10.4	-176.1	-58.7	-24.9	0	0	0	115.4	N51 V52	N51-N54 VanDerWaalsContact OD1-CA 3.29Å; N51-N54 WeakPolarHBondContact OD1-CA 3.41Å; N51-N54 PolarHBondContact OD1-N 3.24Å; V52-N54 PolarHBondContact O-N 3.3Å
55	K	92.3	Very high	93.8	Very high	56 Å²	56	42.3 Å²	42.3	24%	0.243	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.8	169.7	-66.5	174.8	171.5	177	0	109.6	D6 F7 V52 G53 L170 E174	D6-K55 WeakPolarHBondContact OD2-CA 3.28Å; F7-K55 HydrophobicContact CD2-CD 4.45Å; F7-K55 HydrophobicContact CE2-CD 3.86Å; V52-K55 PolarHBondContact N-O 2.96Å; V52-K55 PolarHBondContact O-N 2.83Å; V52-K55 VanDerWaalsContact O-N 3.15Å; G53-K55 PolarHBondContact O-N 3.44Å; K55-L170 HydrophobicContact CB-CD1 4.4Å; K55-L170 HydrophobicContact CD-CD1 4.3Å; K55-L170 HydrophobicContact CD-CD2 3.91Å; K55-E174 IonicContact NZ-OE1 3.78Å; K55-E174 PolarHBondContact NZ-OE1 3.43Å
56	Y	95.3	Very high	93	Very high	117 Å²	117	38.4 Å²	38.4	46%	0.459	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.2	173.2	-70.6	-84.4	0	0	0	109.3	D6 F7 I49 I50 N51	D6-Y56 PolarHBondContact N-O 3.21Å; D6-Y56 PolarHBondContact OD2-N 3.28Å; F7-Y56 PolarHBondContact N-O 2.92Å; I49-Y56 HydrophobicContact CG2-CD1 4.07Å; I50-Y56 WeakPolarHBondContact O-CA 3.17Å; N51-Y56 HydrophobicContact CB-CD1 4.42Å; N51-Y56 HydrophobicContact CB-CE1 4.25Å
57	V	96.6	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.7	-177.9	-176	0	0	0	0	109.1	F7 F9 I49 I50 V52 L59 L170	F7-V57 HydrophobicContact CB-CG1 4.38Å; F7-V57 HydrophobicContact CB-CG2 4.42Å; F7-V57 CarbonylContact O-C 3.55Å; F7-V57 WeakPolarHBondContact O-CA 3.49Å; F9-V57 HydrophobicContact CD1-CG1 4.49Å; F9-V57 HydrophobicContact CD2-CG1 3.31Å; F9-V57 HydrophobicContact CE2-CG1 3.46Å; F9-V57 VanDerWaalsContact CE2-CG1 3.46Å; F9-V57 HydrophobicContact CE2-CG2 4.25Å; F9-V57 HydrophobicContact CG-CG1 3.86Å; F9-V57 HydrophobicContact CZ-CG1 4.12Å; I49-V57 WeakPolarHBondContact CA-O 3.32Å; I50-V57 HydrophobicContact CG1-CB 4.22Å; I50-V57 PolarHBondContact N-O 3.35Å; I50-V57 PolarHBondContact O-N 3.43Å; V52-V57 HydrophobicContact CG2-CG2 4.48Å; V57-L59 HydrophobicContact CG1-CD2 3.75Å; V57-L170 HydrophobicContact CG2-CD1 3.92Å; V57-L170 HydrophobicContact CG2-CG 4.5Å
58	K	97.1	Very high	90.9	Very high	56 Å²	56	44.6 Å²	44.6	24%	0.243	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.4	169.7	-172.7	168.9	-177.5	174.6	0	109.8	Y5 F7 L8 F9 I49	Y5-K58 HydrophobicContact CD1-CB 3.85Å; Y5-K58 HydrophobicContact CD1-CD 3.72Å; Y5-K58 HydrophobicContact CD1-CG 4.41Å; Y5-K58 HydrophobicContact CD2-CB 3.9Å; Y5-K58 HydrophobicContact CE1-CB 4.22Å; Y5-K58 HydrophobicContact CE1-CD 3.42Å; Y5-K58 VanDerWaalsContact CE1-CD 3.42Å; Y5-K58 HydrophobicContact CE1-CG 4.46Å; Y5-K58 HydrophobicContact CE2-CB 4.28Å; Y5-K58 HydrophobicContact CG-CB 3.67Å; Y5-K58 HydrophobicContact CG-CD 4.39Å; F7-K58 PolarHBondContact O-N 3.46Å; L8-K58 CarbonylContact C-O 3.58Å; L8-K58 VanDerWaalsContact CA-O 3.27Å; L8-K58 WeakPolarHBondContact CA-O 3.22Å; L8-K58 HydrophobicContact CB-CB 4.46Å; L8-K58 HydrophobicContact CD1-CD 4.48Å; F9-K58 PolarHBondContact N-O 3.47Å; I49-K58 HydrophobicContact CD1-CB 4.49Å; I49-K58 HydrophobicContact CD1-CD 4.47Å; I49-K58 HydrophobicContact CG1-CB 3.83Å; I49-K58 HydrophobicContact CG1-CD 4.34Å; I49-K58 HydrophobicContact CG1-CG 3.89Å
59	L	97.8	Very high	89.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.2	171.9	-56.3	-174.7	0	0	0	109.5	F9 F11 F28 S47 K48 I50 V57 I61 F162 A166	F9-L59 HydrophobicContact CB-CD2 4.03Å; F9-L59 HydrophobicContact CD2-CD2 4.07Å; F11-L59 HydrophobicContact CD1-CD2 4.36Å; F11-L59 HydrophobicContact CD2-CD1 4.34Å; F11-L59 HydrophobicContact CD2-CD2 4.5Å; F11-L59 HydrophobicContact CE1-CD2 3.93Å; F11-L59 HydrophobicContact CE2-CD1 4.01Å; F11-L59 HydrophobicContact CE2-CD2 4.06Å; F11-L59 HydrophobicContact CZ-CD1 4.5Å; F11-L59 HydrophobicContact CZ-CD2 3.77Å; F28-L59 HydrophobicContact CE1-CD1 4.12Å; F28-L59 HydrophobicContact CZ-CD1 4.01Å; S47-L59 WeakPolarHBondContact CA-O 3.28Å; S47-L59 WeakPolarHBondContact CB-O 3.37Å; K48-L59 PolarHBondContact N-O 2.92Å; K48-L59 VanDerWaalsContact N-O 3.12Å; K48-L59 PolarHBondContact O-N 3.42Å; I50-L59 HydrophobicContact CD1-CD1 3.69Å; I50-L59 HydrophobicContact CD1-CD2 4.49Å; I50-L59 HydrophobicContact CD1-CG 4.13Å; I50-L59 HydrophobicContact CG1-CD1 4.21Å; I50-L59 HydrophobicContact CG1-CG 4.22Å; V57-L59 HydrophobicContact CG1-CD2 3.75Å; L59-I61 HydrophobicContact CB-CD1 4.1Å; L59-I61 HydrophobicContact CB-CG1 3.95Å; L59-F162 HydrophobicContact CD1-CB 4.18Å; L59-F162 HydrophobicContact CD1-CD1 4.45Å; L59-A166 HydrophobicContact CD2-CB 4.23Å
60	Q	96.8	Very high	88.7	Confident	56 Å²	56	52 Å²	52	26%	0.262	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.6	167.1	-77.9	-165.7	-29.6	0	0	108	L8 F9 K10 F11 F45	L8-Q60 HydrophobicContact CD1-CG 4.26Å; L8-Q60 HydrophobicContact CD2-CG 4.29Å; L8-Q60 HydrophobicContact CG-CG 4.23Å; F9-Q60 PolarHBondContact O-N 2.91Å; K10-Q60 CarbonylContact C-O 3.54Å; K10-Q60 WeakPolarHBondContact CA-O 3.42Å; F11-Q60 PolarHBondContact N-O 3.21Å; F45-Q60 HydrophobicContact CE2-CB 3.85Å; F45-Q60 HydrophobicContact CE2-CG 4Å; F45-Q60 HydrophobicContact CZ-CB 4.28Å; F45-Q60 HydrophobicContact CZ-CG 3.96Å
61	I	97.3	Very high	87.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125	-167.4	-52.3	161.6	0	0	0	108.9	F11 V13 L25 F28 G46 L59 F162	F11-I61 HydrophobicContact CB-CB 4.42Å; F11-I61 HydrophobicContact CB-CG1 4.05Å; F11-I61 HydrophobicContact CB-CG2 4.34Å; V13-I61 HydrophobicContact CG2-CG2 3.61Å; L25-I61 HydrophobicContact CD1-CB 3.82Å; L25-I61 HydrophobicContact CD1-CD1 3.77Å; L25-I61 HydrophobicContact CD1-CG1 4.42Å; L25-I61 HydrophobicContact CD1-CG2 3.68Å; F28-I61 HydrophobicContact CD1-CD1 3.75Å; F28-I61 HydrophobicContact CE1-CD1 3.65Å; G46-I61 PolarHBondContact N-O 2.79Å; G46-I61 PolarHBondContact O-N 3.32Å; L59-I61 HydrophobicContact CB-CD1 4.1Å; L59-I61 HydrophobicContact CB-CG1 3.95Å; I61-F162 HydrophobicContact CD1-CD1 3.97Å; I61-F162 HydrophobicContact CD1-CE1 3.74Å; I61-F162 HydrophobicContact CG1-CE1 4.35Å; I61-F162 HydrophobicContact CG2-CE1 4.16Å
62	W	95.1	Very high	86.4	Confident	60 Å²	60	54.3 Å²	54.3	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.8	174.3	-62.5	95.5	0	0	0	109.6	F11 L12 V13 V43 E44 F45 Y77	F11-W62 PolarHBondContact O-N 2.89Å; L12-W62 CarbonylContact C-O 3.58Å; L12-W62 WeakPolarHBondContact CA-O 3.49Å; L12-W62 HydrophobicContact CD2-CB 3.86Å; L12-W62 HydrophobicContact CD2-CG 4.39Å; V13-W62 PolarHBondContact N-O 3.28Å; V43-W62 HydrophobicContact CG1-CB 3.84Å; V43-W62 HydrophobicContact CG1-CD2 4.22Å; V43-W62 HydrophobicContact CG1-CE3 3.49Å; V43-W62 VanDerWaalsContact CG1-CE3 3.49Å; V43-W62 HydrophobicContact CG1-CG 4.42Å; V43-W62 HydrophobicContact CG1-CZ3 4.34Å; E44-W62 CarbonylContact O-C 3.26Å; E44-W62 WeakPolarHBondContact O-CA 3.42Å; F45-W62 HydrophobicContact CB-CE3 3.98Å; F45-W62 HydrophobicContact CB-CH2 4.39Å; F45-W62 HydrophobicContact CB-CZ3 3.81Å; F45-W62 AromaticContact CD2-CD2 3.98Å; F45-W62 HydrophobicContact CD2-CD2 3.98Å; F45-W62 AromaticContact CD2-CE2 3.85Å; F45-W62 HydrophobicContact CD2-CE3 4Å; F45-W62 AromaticContact CD2-CH2 3.95Å; F45-W62 HydrophobicContact CD2-CH2 3.95Å; F45-W62 AromaticContact CD2-CZ2 3.85Å; F45-W62 HydrophobicContact CD2-CZ2 3.85Å; F45-W62 HydrophobicContact CD2-CZ3 4.02Å; F45-W62 HydrophobicContact CE2-CZ2 4.3Å; F45-W62 HydrophobicContact CG-CE3 4.49Å; F45-W62 HydrophobicContact CG-CH2 4.45Å; F45-W62 HydrophobicContact CG-CZ3 4.3Å; W62-Y77 AromaticContact CD2-CD1 3.76Å; W62-Y77 HydrophobicContact CD2-CD1 3.76Å; W62-Y77 HydrophobicContact CD2-CE1 4.16Å; W62-Y77 AromaticContact CE3-CD1 3.75Å; W62-Y77 HydrophobicContact CE3-CD1 3.75Å; W62-Y77 AromaticContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CG-CD1 4.25Å; W62-Y77 HydrophobicContact CH2-CD1 4.39Å; W62-Y77 AromaticContact CH2-CE1 3.94Å; W62-Y77 HydrophobicContact CH2-CE1 3.94Å; W62-Y77 HydrophobicContact CZ2-CD1 4.45Å; W62-Y77 HydrophobicContact CZ2-CE1 4.42Å; W62-Y77 HydrophobicContact CZ3-CD1 4.05Å; W62-Y77 AromaticContact CZ3-CE1 3.56Å; W62-Y77 HydrophobicContact CZ3-CE1 3.56Å
63	D	92.9	Very high	85.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.6	169.2	175.1	41.4	0	0	0	109.5	K21 S22 L25 T40 V43 E44	K21-D63 WeakPolarHBondContact CB-OD1 3.49Å; S22-D63 WeakPolarHBondContact CA-OD2 3.29Å; S22-D63 VanDerWaalsContact CB-OD2 3.27Å; S22-D63 WeakPolarHBondContact CB-OD2 3.26Å; S22-D63 PolarHBondContact OG-OD2 3.02Å; L25-D63 HydrophobicContact CD2-CB 3.68Å; T40-D63 PolarHBondContact OG1-OD2 3.05Å; V43-D63 CarbonylContact C-O 3.51Å; V43-D63 VanDerWaalsContact CA-O 3.23Å; V43-D63 WeakPolarHBondContact CA-O 3.38Å; V43-D63 WeakPolarHBondContact CG1-O 3.43Å; E44-D63 HydrophobicContact CB-CB 4.29Å; E44-D63 PolarHBondContact N-O 3.47Å; E44-D63 PolarHBondContact O-N 3.17Å
64	T	89.1	Confident	85	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.6	-173.5	63.3	0	0	0	0	111.9	V13 I14 K21 V43 G66 T74	V13-T64 PolarHBondContact O-N 3.27Å; V13-T64 PolarHBondContact O-OG1 2.94Å; I14-T64 HydrophobicContact CG2-CG2 4.29Å; K21-T64 WeakPolarHBondContact CE-O 3.35Å; V43-T64 HydrophobicContact CG2-CG2 4.5Å; T64-G66 PolarHBondContact O-N 3.41Å; T64-T74 HydrophobicContact CG2-CG2 4.47Å
65	A	84.9	Confident	84.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-58.8	125.4	169.8	0	0	0	0	0	110.7	T40 G42 Q67 F70 T74	T40-A65 VanDerWaalsContact O-CB 3.24Å; T40-A65 WeakPolarHBondContact O-CB 3.47Å; G42-A65 WeakPolarHBondContact O-CB 3.46Å; G42-A65 PolarHBondContact O-N 3.28Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-F70 HydrophobicContact CB-CB 3.78Å; A65-F70 HydrophobicContact CB-CD2 3.94Å; A65-F70 HydrophobicContact CB-CG 4.2Å; A65-T74 HydrophobicContact CB-CG2 4.31Å
66	G	75.9	Confident	84.2	Confident	9 Å²	9	54.6 Å²	54.6	9%	0.093	26%	0.258	C	S	.	.			trans	-86.1	-2.2	179.6	0	0	0	0	0	114.6	G15 A17 T64	G15-G66 WeakPolarHBondContact O-CA 3.46Å; A17-G66 PolarHBondContact N-O 3.17Å; T64-G66 PolarHBondContact O-N 3.41Å
67	Q	76.5	Confident	83.9	Confident	37 Å²	37	52.4 Å²	52.4	17%	0.173	25%	0.249	C	C	.	.	S	Bend	trans	-81.3	131.9	176.4	-61.8	-175.7	29.9	0	0	109.8	A17 A65 R69 F70	A17-Q67 HydrophobicContact CB-CG 3.75Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-R69 PolarHBondContact O-N 3.07Å; Q67-R69 VanDerWaalsContact O-N 3.14Å; Q67-F70 HydrophobicContact CB-CD2 3.93Å; Q67-F70 HydrophobicContact CB-CE2 4.41Å; Q67-F70 PolarHBondContact O-N 3.01Å
68	E	68	Low	83.6	Confident	155 Å²	155	52.5 Å²	52.5	72%	0.724	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-52.9	-34.8	178.3	67.1	-158.9	-179.6	0	0	114	F70 R71	E68-F70 PolarHBondContact O-N 3.36Å; E68-F70 VanDerWaalsContact O-N 3.14Å; E68-R71 WeakPolarHBondContact O-CB 2.83Å; E68-R71 PolarHBondContact O-N 3.16Å
69	R	71.5	Confident	83.3	Confident	187 Å²	187	59.2 Å²	59.2	71%	0.706	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.2	178.5	-64.3	-177.5	-64.8	-175.3	-1.1	113.2	Q67	Q67-R69 PolarHBondContact O-N 3.07Å; Q67-R69 VanDerWaalsContact O-N 3.14Å
70	F	75.1	Confident	82.8	Confident	53 Å²	53	59.7 Å²	59.7	23%	0.232	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-101.5	2.8	176	-59	-56.9	0	0	0	113.1	I41 A65 Q67 E68 S72 V73 T74	I41-F70 HydrophobicContact CG2-CE1 4.32Å; I41-F70 HydrophobicContact CG2-CZ 4.22Å; A65-F70 HydrophobicContact CB-CB 3.78Å; A65-F70 HydrophobicContact CB-CD2 3.94Å; A65-F70 HydrophobicContact CB-CG 4.2Å; Q67-F70 HydrophobicContact CB-CD2 3.93Å; Q67-F70 HydrophobicContact CB-CE2 4.41Å; Q67-F70 PolarHBondContact O-N 3.01Å; E68-F70 PolarHBondContact O-N 3.36Å; E68-F70 VanDerWaalsContact O-N 3.14Å; F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.91Å; F70-V73 WeakPolarHBondContact O-CA 3.4Å; F70-V73 WeakPolarHBondContact O-CB 3.2Å; F70-V73 PolarHBondContact O-N 3.19Å; F70-T74 PolarHBondContact O-N 3.19Å; F70-T74 VanDerWaalsContact O-N 3.12Å
71	R	71.7	Confident	82.7	Confident	48 Å²	48	57 Å²	57	18%	0.181	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-40.6	-174.5	-155.2	179.7	-174.3	108.7	1.2	111.4	E68 V73 T74 R75 N101 D105	E68-R71 WeakPolarHBondContact O-CB 2.83Å; E68-R71 PolarHBondContact O-N 3.16Å; R71-V73 VanDerWaalsContact C-N 3.32Å; R71-V73 PolarHBondContact O-N 2.83Å; R71-T74 PolarHBondContact O-N 3.49Å; R71-T74 PolarHBondContact O-OG1 2.87Å; R71-R75 WeakPolarHBondContact O-CG 3.23Å; R71-R75 PolarHBondContact O-N 2.91Å; R71-N101 PolarHBondContact NH2-O 2.95Å; R71-D105 IonicContact CZ-OD2 2.76Å; R71-D105 IonicContact NE-OD2 2.87Å; R71-D105 PolarHBondContact NE-OD2 3.22Å; R71-D105 IonicContact NH2-OD2 3.41Å; R71-D105 PolarHBondContact NH2-OD2 3.22Å
72	S	71.9	Confident	82.6	Confident	89 Å²	89	57.2 Å²	57.2	62%	0.622	27%	0.267	S	S	*	.	H	α-helix	trans	-60.2	-36.9	175.3	56.9	0	0	0	0	113.6	F70	F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.91Å
73	V	74.2	Confident	82.7	Confident	69 Å²	69	54.4 Å²	54.4	42%	0.418	26%	0.257	S	S	.	.	H	α-helix	trans	-68.6	-38.2	177.4	-177.9	0	0	0	0	110.9	F70 R71 S76	F70-V73 WeakPolarHBondContact O-CA 3.4Å; F70-V73 WeakPolarHBondContact O-CB 3.2Å; F70-V73 PolarHBondContact O-N 3.19Å; R71-V73 VanDerWaalsContact C-N 3.32Å; R71-V73 PolarHBondContact O-N 2.83Å; V73-S76 PolarHBondContact O-OG 3.49Å
74	T	77.8	Confident	82.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-25.7	-178	65	0	0	0	0	113.4	V43 T64 A65 F70 R71 S76 Y77 Y78	V43-T74 HydrophobicContact CG2-CG2 4.3Å; T64-T74 HydrophobicContact CG2-CG2 4.47Å; A65-T74 HydrophobicContact CB-CG2 4.31Å; F70-T74 PolarHBondContact O-N 3.19Å; F70-T74 VanDerWaalsContact O-N 3.12Å; R71-T74 PolarHBondContact O-N 3.49Å; R71-T74 PolarHBondContact O-OG1 2.87Å; T74-S76 VanDerWaalsContact C-N 3.29Å; T74-S76 PolarHBondContact O-N 2.89Å; T74-Y77 WeakPolarHBondContact O-CB 3.4Å; T74-Y77 PolarHBondContact O-N 2.97Å; T74-Y78 WeakPolarHBondContact O-CD2 3.24Å
75	R	79.4	Confident	83.4	Confident	124 Å²	124	54.4 Å²	54.4	47%	0.468	26%	0.257	S	S	.	.	H	α-helix	trans	-58.7	-35.6	-174.5	-75.5	-174.4	172.7	176.2	-4.2	113.9	R71 Y77 Y78 L109	R71-R75 WeakPolarHBondContact O-CG 3.23Å; R71-R75 PolarHBondContact O-N 2.91Å; R75-Y77 PolarHBondContact O-N 2.89Å; R75-Y78 WeakPolarHBondContact O-CB 3.31Å; R75-Y78 PolarHBondContact O-N 2.86Å; R75-L109 HydrophobicContact CB-CD1 4.13Å; R75-L109 HydrophobicContact CG-CD1 3.63Å
76	S	84	Confident	84	Confident	87 Å²	87	54.4 Å²	54.4	61%	0.608	26%	0.257	S	S	*	.	H	α-helix	trans	-62.5	-24.3	178.9	57.9	0	0	0	0	112.8	V73 T74	V73-S76 PolarHBondContact O-OG 3.49Å; T74-S76 VanDerWaalsContact C-N 3.29Å; T74-S76 PolarHBondContact O-N 2.89Å
77	Y	88.1	Confident	85.1	Confident	71 Å²	71	54 Å²	54	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-81.5	-18.7	-179.4	-65.1	-92.1	0	0	0	113.2	K10 V43 W62 T74 R75 R79	K10-Y77 WeakPolarHBondContact CE-O 3.36Å; K10-Y77 PolarHBondContact NZ-O 2.81Å; V43-Y77 HydrophobicContact CB-CD2 4.42Å; V43-Y77 HydrophobicContact CB-CE1 4.29Å; V43-Y77 HydrophobicContact CB-CE2 4.13Å; V43-Y77 HydrophobicContact CG1-CD1 4.15Å; V43-Y77 HydrophobicContact CG1-CE1 4.21Å; V43-Y77 HydrophobicContact CG1-CG 4.37Å; V43-Y77 HydrophobicContact CG2-CD1 4.41Å; V43-Y77 HydrophobicContact CG2-CD2 3.52Å; V43-Y77 HydrophobicContact CG2-CE1 4.38Å; V43-Y77 HydrophobicContact CG2-CE2 3.47Å; V43-Y77 VanDerWaalsContact CG2-CE2 3.47Å; V43-Y77 HydrophobicContact CG2-CG 4Å; W62-Y77 AromaticContact CD2-CD1 3.76Å; W62-Y77 HydrophobicContact CD2-CD1 3.76Å; W62-Y77 HydrophobicContact CD2-CE1 4.16Å; W62-Y77 AromaticContact CE3-CD1 3.75Å; W62-Y77 HydrophobicContact CE3-CD1 3.75Å; W62-Y77 AromaticContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CE3-CE1 3.7Å; W62-Y77 HydrophobicContact CG-CD1 4.25Å; W62-Y77 HydrophobicContact CH2-CD1 4.39Å; W62-Y77 AromaticContact CH2-CE1 3.94Å; W62-Y77 HydrophobicContact CH2-CE1 3.94Å; W62-Y77 HydrophobicContact CZ2-CD1 4.45Å; W62-Y77 HydrophobicContact CZ2-CE1 4.42Å; W62-Y77 HydrophobicContact CZ3-CD1 4.05Å; W62-Y77 AromaticContact CZ3-CE1 3.56Å; W62-Y77 HydrophobicContact CZ3-CE1 3.56Å; T74-Y77 WeakPolarHBondContact O-CB 3.4Å; T74-Y77 PolarHBondContact O-N 2.97Å; R75-Y77 PolarHBondContact O-N 2.89Å; Y77-R79 VanDerWaalsContact C-N 3.32Å; Y77-R79 PolarHBondContact O-N 2.76Å
78	Y	91	Very high	86.2	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-39.3	-179.2	-80.6	-119.6	0	0	0	112	L12 I14 T74 R75 G80 A81 W102 D105 A106 L109 A110	L12-Y78 HydrophobicContact CD1-CD1 4.13Å; L12-Y78 HydrophobicContact CD1-CD2 4.2Å; L12-Y78 HydrophobicContact CD1-CE1 4.48Å; L12-Y78 HydrophobicContact CD1-CG 3.98Å; I14-Y78 HydrophobicContact CD1-CE1 4.47Å; I14-Y78 HydrophobicContact CG2-CE2 4.37Å; I14-Y78 WeakPolarHBondContact CG2-OH 3.29Å; T74-Y78 WeakPolarHBondContact O-CD2 3.24Å; R75-Y78 WeakPolarHBondContact O-CB 3.31Å; R75-Y78 PolarHBondContact O-N 2.86Å; Y78-G80 PolarHBondContact O-N 2.95Å; Y78-A81 WeakPolarHBondContact O-CB 3.27Å; Y78-A81 PolarHBondContact O-N 3.49Å; Y78-W102 WeakPolarHBondContact OH-CZ3 3.46Å; Y78-D105 HydrophobicContact CE1-CB 4.22Å; Y78-A106 HydrophobicContact CE1-CB 4.18Å; Y78-L109 HydrophobicContact CD1-CB 3.82Å; Y78-L109 HydrophobicContact CD1-CD1 4.14Å; Y78-L109 HydrophobicContact CG-CB 3.88Å; Y78-L109 HydrophobicContact CG-CD1 4.17Å; Y78-A110 VanDerWaalsContact O-CA 3.27Å; Y78-A110 WeakPolarHBondContact O-CA 3.45Å; Y78-A110 WeakPolarHBondContact O-CB 3.2Å
79	R	89.8	Confident	87.6	Confident	198 Å²	198	45.3 Å²	45.3	75%	0.747	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	124.9	-176.7	-173.6	-180	177	102.9	-1.4	110.8	K10 Y77 A81	K10-R79 PolarHBondContact NZ-O 2.93Å; Y77-R79 VanDerWaalsContact C-N 3.32Å; Y77-R79 PolarHBondContact O-N 2.76Å; R79-A81 VanDerWaalsContact C-N 3.35Å
80	G	87.3	Confident	88.9	Confident	9 Å²	9	36.4 Å²	36.4	9%	0.093	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	28.7	179.5	0	0	0	0	0	114.1	K10 Y78 G184 G186	K10-G80 WeakPolarHBondContact CD-O 3.21Å; Y78-G80 PolarHBondContact O-N 2.95Å; G80-G184 WeakPolarHBondContact CA-O 3.21Å; G80-G186 WeakPolarHBondContact O-CA 3.3Å
81	A	94.6	Very high	90	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.176	C	C	.	.			trans	-81	129.5	161.8	0	0	0	0	0	110	L12 Y78 R79 A110 I114	L12-A81 HydrophobicContact CD1-CB 3.64Å; L12-A81 HydrophobicContact CD2-CB 4.3Å; L12-A81 HydrophobicContact CG-CB 3.63Å; Y78-A81 WeakPolarHBondContact O-CB 3.27Å; Y78-A81 PolarHBondContact O-N 3.49Å; R79-A81 VanDerWaalsContact C-N 3.35Å; A81-A110 HydrophobicContact CB-CB 4.21Å; A81-I114 HydrophobicContact CB-CD1 3.98Å
82	A	95.8	Very high	91.3	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	18%	0.178	C	C	.	.	S	Bend	trans	-84.5	-30.8	176	0	0	0	0	0	111.6	K10 V115 I169 I187	K10-A82 PolarHBondContact O-N 2.73Å; A82-V115 PolarHBondContact O-N 3.18Å; A82-V115 VanDerWaalsContact O-N 3.07Å; A82-I169 HydrophobicContact CB-CD1 4Å; A82-I187 HydrophobicContact CB-CD1 4.39Å; A82-I187 HydrophobicContact CB-CG1 3.77Å
83	G	97.3	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.9	178.1	0	0	0	0	0	113.4	K10 F11 L12 V115	K10-G83 PolarHBondContact O-N 3.39Å; F11-G83 VanDerWaalsContact CA-O 3.28Å; F11-G83 WeakPolarHBondContact CA-O 3.44Å; L12-G83 PolarHBondContact N-O 3.11Å; L12-G83 VanDerWaalsContact N-O 3.08Å; G83-V115 CarbonylContact C-O 3.59Å; G83-V115 WeakPolarHBondContact CA-O 3.44Å
84	A	97.9	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.2	171.1	0	0	0	0	0	112.3	L12 I114 V115 I116 I117	L12-A84 HydrophobicContact CB-CB 4.08Å; L12-A84 CarbonylContact O-C 3.59Å; L12-A84 VanDerWaalsContact O-CA 3.24Å; L12-A84 WeakPolarHBondContact O-CA 3.35Å; A84-I114 HydrophobicContact CB-CD1 3.91Å; A84-V115 PolarHBondContact N-O 3.34Å; A84-I116 HydrophobicContact CB-CG1 4.35Å; A84-I116 WeakPolarHBondContact O-CA 3.42Å; A84-I117 PolarHBondContact O-N 2.84Å
85	L	98.6	Very high	94.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.4	160.9	-84.2	65.4	0	0	0	107.8	F11 L12 V13 I14 V87 I117 A161 F162 C165	F11-L85 HydrophobicContact CD2-CD1 4.43Å; L12-L85 PolarHBondContact O-N 3.13Å; V13-L85 HydrophobicContact CG1-CB 4.31Å; I14-L85 PolarHBondContact N-O 3.2Å; L85-V87 HydrophobicContact CB-CG2 4.3Å; L85-I117 WeakPolarHBondContact CA-O 3.36Å; L85-A161 HydrophobicContact CD2-CB 3.98Å; L85-F162 HydrophobicContact CD1-CD1 4.01Å; L85-F162 HydrophobicContact CD1-CE1 4.07Å; L85-F162 HydrophobicContact CD2-CD1 4.19Å; L85-F162 HydrophobicContact CD2-CD2 4.15Å; L85-F162 HydrophobicContact CD2-CE1 3.81Å; L85-F162 HydrophobicContact CD2-CE2 3.76Å; L85-F162 HydrophobicContact CD2-CG 4.34Å; L85-F162 HydrophobicContact CD2-CZ 3.58Å; L85-C165 HydrophobicContact CD1-CB 4.46Å
86	L	98.4	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.5	175.3	174	60.3	0	0	0	108.3	I14 L99 W102 L103 I116 I117 L118 C119	I14-L86 HydrophobicContact CD1-CD1 4.05Å; I14-L86 HydrophobicContact CG1-CB 4.34Å; I14-L86 HydrophobicContact CG1-CD1 3.88Å; L86-L99 HydrophobicContact CD1-CD2 3.79Å; L86-L99 HydrophobicContact CD2-CD2 3.77Å; L86-L99 HydrophobicContact CG-CD2 3.51Å; L86-W102 HydrophobicContact CD1-CB 3.46Å; L86-W102 VanDerWaalsContact CD1-CB 3.46Å; L86-W102 HydrophobicContact CD1-CG 4.22Å; L86-L103 HydrophobicContact CD2-CB 4.13Å; L86-I116 HydrophobicContact CB-CG2 3.77Å; L86-I117 PolarHBondContact N-O 2.89Å; L86-L118 HydrophobicContact CD2-CD1 4.17Å; L86-L118 HydrophobicContact CG-CD1 4.09Å; L86-L118 WeakPolarHBondContact O-CA 3.35Å; L86-C119 PolarHBondContact O-N 2.93Å
87	V	98.6	Very high	96.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.3	-165.5	-168.9	0	0	0	0	111.3	V13 I14 G15 K21 L24 L85 C119 N121	V13-V87 HydrophobicContact CG1-CG2 3.71Å; I14-V87 PolarHBondContact O-N 3Å; G15-V87 WeakPolarHBondContact CA-O 3.39Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG1 4.47Å; K21-V87 HydrophobicContact CG-CG2 4.1Å; L24-V87 HydrophobicContact CD1-CG1 3.79Å; L24-V87 HydrophobicContact CD1-CG2 3.96Å; L85-V87 HydrophobicContact CB-CG2 4.3Å; V87-C119 WeakPolarHBondContact CA-O 3.23Å; V87-C119 HydrophobicContact CG1-CB 4.48Å; V87-C119 HydrophobicContact CG2-CB 4.27Å; V87-N121 HydrophobicContact CG1-CB 3.81Å
88	Y	98.8	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	167.5	164.6	75.9	-79.8	0	0	0	110.3	I90 Y96 L99 L118 C119 G120 N121 V131 A136 F147	Y88-I90 HydrophobicContact CE2-CG2 3.96Å; Y88-Y96 HydrophobicContact CD1-CD2 4.45Å; Y88-Y96 HydrophobicContact CD2-CD2 4.01Å; Y88-Y96 HydrophobicContact CD2-CG 4.46Å; Y88-Y96 HydrophobicContact CE1-CD2 4.37Å; Y88-Y96 AromaticContact CE2-CD2 3.96Å; Y88-Y96 HydrophobicContact CE2-CD2 3.96Å; Y88-Y96 HydrophobicContact CG-CD2 4.27Å; Y88-L99 HydrophobicContact CD1-CD1 3.89Å; Y88-L99 HydrophobicContact CD1-CD2 4.28Å; Y88-L99 HydrophobicContact CE1-CD1 4.47Å; Y88-L99 HydrophobicContact CG-CD1 4.19Å; Y88-L118 HydrophobicContact CD1-CD1 3.88Å; Y88-L118 HydrophobicContact CD1-CG 4.4Å; Y88-L118 HydrophobicContact CE1-CD1 4.12Å; Y88-L118 HydrophobicContact CE1-CD2 4.38Å; Y88-L118 HydrophobicContact CE1-CG 4.15Å; Y88-C119 WeakPolarHBondContact CD1-O 3.19Å; Y88-C119 PolarHBondContact N-O 2.87Å; Y88-G120 VanDerWaalsContact CZ-CA 3.42Å; Y88-N121 PolarHBondContact O-N 3.03Å; Y88-V131 HydrophobicContact CE2-CB 3.96Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.2Å; Y88-A136 HydrophobicContact CE1-CB 4.38Å; Y88-A136 WeakPolarHBondContact OH-CB 3.24Å; Y88-F147 AromaticContact CE1-CE2 4Å; Y88-F147 HydrophobicContact CE1-CE2 4Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.38Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.38Å
89	D	98.6	Very high	97	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.4	175.8	-177.9	-4.7	0	0	0	109.5	T19 T91 S92 T95 K122	T19-D89 HydrophobicContact CG2-CB 4.22Å; D89-T91 PolarHBondContact O-N 2.66Å; D89-T91 PolarHBondContact OD1-N 3.21Å; D89-T91 PolarHBondContact OD1-OG1 3.3Å; D89-T91 VanDerWaalsContact OD1-OG1 3.11Å; D89-T91 PolarHBondContact OD2-OG1 3.24Å; D89-S92 PolarHBondContact O-N 3.2Å; D89-S92 VanDerWaalsContact O-N 3.09Å; D89-T95 HydrophobicContact CB-CG2 4.38Å; D89-T95 PolarHBondContact N-OG1 3.2Å; D89-T95 PolarHBondContact O-OG1 3.28Å; D89-K122 WeakPolarHBondContact OD1-CD 3.42Å; D89-K122 WeakPolarHBondContact OD2-CD 3.12Å; D89-K122 WeakPolarHBondContact OD2-CE 3.24Å; D89-K122 IonicContact OD2-NZ 3.75Å; D89-K122 PolarHBondContact OD2-NZ 2.76Å
90	I	98.8	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.9	-178.8	67.9	162	0	0	0	112.9	Y88 S92 N121 E130 V131	Y88-I90 HydrophobicContact CE2-CG2 3.96Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-N121 PolarHBondContact N-O 3.3Å; I90-N121 VanDerWaalsContact N-O 3.07Å; I90-E130 PolarHBondContact O-N 2.96Å; I90-V131 PolarHBondContact O-N 2.97Å; I90-V131 VanDerWaalsContact O-N 3.09Å
91	T	98.6	Very high	97.6	Very high	28 Å²	28	29.7 Å²	29.7	17%	0.172	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	9.3	178.2	78.2	0	0	0	0	112.2	D89 L125 D128	D89-T91 PolarHBondContact O-N 2.66Å; D89-T91 PolarHBondContact OD1-N 3.21Å; D89-T91 PolarHBondContact OD1-OG1 3.3Å; D89-T91 VanDerWaalsContact OD1-OG1 3.11Å; D89-T91 PolarHBondContact OD2-OG1 3.24Å; T91-L125 HydrophobicContact CG2-CB 3.62Å; T91-L125 HydrophobicContact CG2-CD1 4.3Å; T91-D128 WeakPolarHBondContact CA-O 3.21Å; T91-D128 WeakPolarHBondContact CB-O 3.28Å; T91-D128 HydrophobicContact CG2-CB 4.03Å
92	S	98.3	Very high	97.7	Very high	31 Å²	31	29.8 Å²	29.8	22%	0.217	16%	0.156	C	C	.	.			trans	-140.7	100.8	179	-176.7	0	0	0	0	112.2	D89 I90 E94 T95 E130	D89-S92 PolarHBondContact O-N 3.2Å; D89-S92 VanDerWaalsContact O-N 3.09Å; I90-S92 VanDerWaalsContact C-N 3.33Å; S92-E94 PolarHBondContact O-N 3.06Å; S92-T95 PolarHBondContact O-N 2.91Å; S92-T95 VanDerWaalsContact O-N 3.1Å; S92-T95 PolarHBondContact O-OG1 3.27Å; S92-E130 WeakPolarHBondContact CA-OE2 3.32Å
93	R	98.3	Very high	97.7	Very high	74 Å²	74	29.7 Å²	29.7	28%	0.279	16%	0.156	S	C	.	.	H	α-helix	trans	-55.4	-35.6	178.4	179.9	62.1	70.6	-179.4	12.5	113	T95 Y96 N97 E130 E135	R93-T95 VanDerWaalsContact C-N 3.32Å; R93-T95 PolarHBondContact O-N 3.39Å; R93-Y96 WeakPolarHBondContact O-CB 3.4Å; R93-Y96 PolarHBondContact O-N 3.27Å; R93-N97 VanDerWaalsContact O-CG 3.31Å; R93-N97 PolarHBondContact O-N 2.54Å; R93-E130 HydrophobicContact CB-CB 4.26Å; R93-E130 VanDerWaalsContact CB-OE2 3.24Å; R93-E130 WeakPolarHBondContact CB-OE2 3.14Å; R93-E130 PolarHBondContact N-OE2 2.86Å; R93-E130 PolarHBondContact NE-O 3.08Å; R93-E130 PolarHBondContact NH2-O 2.84Å; R93-E135 IonicContact CZ-OE1 3.45Å; R93-E135 IonicContact CZ-OE2 3.46Å; R93-E135 IonicContact NH1-OE1 3.11Å; R93-E135 PolarHBondContact NH1-OE1 2.87Å; R93-E135 VanDerWaalsContact NH1-OE1 3.11Å; R93-E135 IonicContact NH1-OE2 2.67Å; R93-E135 PolarHBondContact NH1-OE2 2.7Å; R93-E135 IonicContact NH2-OE1 3.96Å; R93-E135 PolarHBondContact NH2-OE1 3.32Å; R93-E135 IonicContact NH2-OE2 2.91Å; R93-E135 PolarHBondContact NH2-OE2 3.04Å
94	E	97.8	Very high	97.5	Very high	143 Å²	143	32.9 Å²	32.9	67%	0.668	18%	0.175	S	C	*	.	H	α-helix	trans	-60.2	-42.9	178.6	-171.9	-173.1	161	0	0	111.7	S92 Y96 N97 A98	S92-E94 PolarHBondContact O-N 3.06Å; E94-Y96 VanDerWaalsContact C-N 3.27Å; E94-Y96 PolarHBondContact O-N 2.83Å; E94-N97 PolarHBondContact O-N 3.44Å; E94-A98 PolarHBondContact O-N 3.37Å; E94-A98 VanDerWaalsContact O-N 3.15Å
95	T	98.3	Very high	97.3	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-32.2	-179.7	71.3	0	0	0	0	112.2	N16 T19 D89 S92 R93	N16-T95 HydrophobicContact CB-CG2 3.99Å; T19-T95 HydrophobicContact CG2-CG2 3.66Å; D89-T95 HydrophobicContact CB-CG2 4.38Å; D89-T95 PolarHBondContact N-OG1 3.2Å; D89-T95 PolarHBondContact O-OG1 3.28Å; S92-T95 PolarHBondContact O-N 2.91Å; S92-T95 VanDerWaalsContact O-N 3.1Å; S92-T95 PolarHBondContact O-OG1 3.27Å; R93-T95 VanDerWaalsContact C-N 3.32Å; R93-T95 PolarHBondContact O-N 3.39Å
96	Y	98.6	Very high	97.1	Very high	27 Å²	27	33.8 Å²	33.8	11%	0.106	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-45.3	173.6	176.1	-98.2	0	0	0	111.9	Y88 R93 E94 A98 L99 V131 E135 A136 F139	Y88-Y96 HydrophobicContact CD1-CD2 4.45Å; Y88-Y96 HydrophobicContact CD2-CD2 4.01Å; Y88-Y96 HydrophobicContact CD2-CG 4.46Å; Y88-Y96 HydrophobicContact CE1-CD2 4.37Å; Y88-Y96 AromaticContact CE2-CD2 3.96Å; Y88-Y96 HydrophobicContact CE2-CD2 3.96Å; Y88-Y96 HydrophobicContact CG-CD2 4.27Å; R93-Y96 WeakPolarHBondContact O-CB 3.4Å; R93-Y96 PolarHBondContact O-N 3.27Å; E94-Y96 VanDerWaalsContact C-N 3.27Å; E94-Y96 PolarHBondContact O-N 2.83Å; Y96-A98 PolarHBondContact O-N 2.99Å; Y96-A98 VanDerWaalsContact O-N 3.16Å; Y96-L99 HydrophobicContact CD2-CD1 3.37Å; Y96-L99 HydrophobicContact CE2-CD1 3.72Å; Y96-L99 HydrophobicContact CG-CD1 4.12Å; Y96-L99 WeakPolarHBondContact O-CB 3.41Å; Y96-L99 WeakPolarHBondContact O-CD1 3.44Å; Y96-L99 WeakPolarHBondContact O-CG 3.3Å; Y96-L99 PolarHBondContact O-N 3.41Å; Y96-V131 HydrophobicContact CD1-CG1 4.31Å; Y96-V131 HydrophobicContact CD2-CG1 3.65Å; Y96-V131 HydrophobicContact CE2-CG1 3.95Å; Y96-V131 HydrophobicContact CG-CG1 3.85Å; Y96-V131 HydrophobicContact CG-CG2 4.03Å; Y96-E135 PolarHBondContact OH-O 3.18Å; Y96-A136 HydrophobicContact CE2-CB 3.9Å; Y96-F139 HydrophobicContact CE2-CB 4.5Å; Y96-F139 VanDerWaalsContact OH-CB 3.31Å; Y96-F139 WeakPolarHBondContact OH-CB 3.49Å
97	N	98	Very high	96.9	Very high	102 Å²	102	36.7 Å²	36.7	55%	0.545	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-27.3	178	-67.6	-15.1	0	0	0	112.4	R93 E94 L99	R93-N97 VanDerWaalsContact O-CG 3.31Å; R93-N97 PolarHBondContact O-N 2.54Å; E94-N97 PolarHBondContact O-N 3.44Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 2.83Å
98	A	96.9	Very high	96.6	Very high	16 Å²	16	43.1 Å²	43.1	13%	0.132	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.5	176.7	0	0	0	0	0	114.4	N16 E94 Y96 T100 N101 W102	N16-A98 VanDerWaalsContact OD1-CB 3.28Å; N16-A98 WeakPolarHBondContact OD1-CB 3.5Å; E94-A98 PolarHBondContact O-N 3.37Å; E94-A98 VanDerWaalsContact O-N 3.15Å; Y96-A98 PolarHBondContact O-N 2.99Å; Y96-A98 VanDerWaalsContact O-N 3.16Å; A98-T100 VanDerWaalsContact C-N 3.31Å; A98-T100 PolarHBondContact O-N 3.3Å; A98-N101 PolarHBondContact O-N 3.32Å; A98-N101 VanDerWaalsContact O-N 3.14Å; A98-W102 VanDerWaalsContact O-CD1 3.27Å; A98-W102 PolarHBondContact O-N 3.3Å
99	L	97.8	Very high	96.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-41.2	-175.3	-73.6	171.7	0	0	0	113	L86 Y88 Y96 N97 N101 W102 L103 L118 F139	L86-L99 HydrophobicContact CD1-CD2 3.79Å; L86-L99 HydrophobicContact CD2-CD2 3.77Å; L86-L99 HydrophobicContact CG-CD2 3.51Å; Y88-L99 HydrophobicContact CD1-CD1 3.89Å; Y88-L99 HydrophobicContact CD1-CD2 4.28Å; Y88-L99 HydrophobicContact CE1-CD1 4.47Å; Y88-L99 HydrophobicContact CG-CD1 4.19Å; Y96-L99 HydrophobicContact CD2-CD1 3.37Å; Y96-L99 HydrophobicContact CE2-CD1 3.72Å; Y96-L99 HydrophobicContact CG-CD1 4.12Å; Y96-L99 WeakPolarHBondContact O-CB 3.41Å; Y96-L99 WeakPolarHBondContact O-CD1 3.44Å; Y96-L99 WeakPolarHBondContact O-CG 3.3Å; Y96-L99 PolarHBondContact O-N 3.41Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 2.83Å; L99-N101 VanDerWaalsContact C-N 3.27Å; L99-N101 PolarHBondContact O-N 3.46Å; L99-W102 PolarHBondContact O-N 2.97Å; L99-L103 VanDerWaalsContact O-CB 3.3Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 PolarHBondContact O-N 3.34Å; L99-L118 HydrophobicContact CD1-CD1 3.75Å; L99-L118 HydrophobicContact CD2-CD1 3.58Å; L99-L118 HydrophobicContact CG-CD1 4.32Å; L99-F139 HydrophobicContact CB-CE1 3.92Å; L99-F139 HydrophobicContact CB-CE2 4.47Å; L99-F139 HydrophobicContact CB-CZ 3.72Å; L99-F139 HydrophobicContact CD1-CD1 4.26Å; L99-F139 HydrophobicContact CD1-CE1 4.04Å
100	T	96.6	Very high	95.9	Very high	75 Å²	75	46 Å²	46	46%	0.46	24%	0.24	S	C	.	.	H	α-helix	trans	-57.3	-41.2	179.8	-51.7	0	0	0	0	111.8	A98 T104	A98-T100 VanDerWaalsContact C-N 3.31Å; A98-T100 PolarHBondContact O-N 3.3Å; T100-T104 WeakPolarHBondContact O-CB 3.47Å; T100-T104 PolarHBondContact O-N 3.11Å; T100-T104 PolarHBondContact O-OG1 3.28Å
101	N	94.4	Very high	95.3	Very high	101 Å²	101	47.9 Å²	47.9	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-69.5	-42.6	179.6	-64.9	-22	0	0	0	111.5	R71 A98 L99 T104 D105	R71-N101 PolarHBondContact NH2-O 2.95Å; A98-N101 PolarHBondContact O-N 3.32Å; A98-N101 VanDerWaalsContact O-N 3.14Å; L99-N101 VanDerWaalsContact C-N 3.27Å; L99-N101 PolarHBondContact O-N 3.46Å; N101-T104 PolarHBondContact O-N 2.94Å; N101-D105 PolarHBondContact O-N 2.97Å; N101-D105 VanDerWaalsContact O-N 3.09Å
102	W	95.1	Very high	94.7	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-41.5	176.5	-74	109.2	0	0	0	112.8	I14 G15 N16 Y78 L86 A98 L99 T104 D105 A106	I14-W102 HydrophobicContact CB-CE3 4.11Å; I14-W102 HydrophobicContact CB-CZ3 4.46Å; G15-W102 WeakPolarHBondContact O-CZ2 3.3Å; N16-W102 PolarHBondContact OD1-NE1 3.25Å; Y78-W102 WeakPolarHBondContact OH-CZ3 3.46Å; L86-W102 HydrophobicContact CD1-CB 3.46Å; L86-W102 VanDerWaalsContact CD1-CB 3.46Å; L86-W102 HydrophobicContact CD1-CG 4.22Å; A98-W102 VanDerWaalsContact O-CD1 3.27Å; A98-W102 PolarHBondContact O-N 3.3Å; L99-W102 PolarHBondContact O-N 2.97Å; W102-T104 VanDerWaalsContact C-N 3.32Å; W102-T104 PolarHBondContact O-N 3.38Å; W102-D105 PolarHBondContact O-N 3.29Å; W102-A106 WeakPolarHBondContact O-CB 3.11Å; W102-A106 PolarHBondContact O-N 3.45Å
103	L	95.8	Very high	94.1	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-41.8	176.7	178.9	60.3	0	0	0	111.5	L86 L99 A106 R107 I116 F139 N143 L145	L86-L103 HydrophobicContact CD2-CB 4.13Å; L99-L103 VanDerWaalsContact O-CB 3.3Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 PolarHBondContact O-N 3.34Å; L103-A106 PolarHBondContact O-N 3.35Å; L103-R107 HydrophobicContact CD1-CG 4.47Å; L103-R107 PolarHBondContact O-N 3.1Å; L103-I116 HydrophobicContact CD1-CD1 3.49Å; L103-I116 VanDerWaalsContact CD1-CD1 3.49Å; L103-F139 HydrophobicContact CD2-CZ 4.3Å; L103-N143 HydrophobicContact CD2-CB 3.75Å; L103-N143 WeakPolarHBondContact CD2-OD1 3.48Å; L103-L145 HydrophobicContact CD1-CD1 4.29Å; L103-L145 HydrophobicContact CD1-CD2 4.08Å; L103-L145 HydrophobicContact CD2-CD1 4.22Å
104	T	94.6	Very high	93.9	Very high	67 Å²	67	51.7 Å²	51.7	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-48.3	177.4	-60	0	0	0	0	110.9	T100 N101 W102 A106 R107 M108	T100-T104 WeakPolarHBondContact O-CB 3.47Å; T100-T104 PolarHBondContact O-N 3.11Å; T100-T104 PolarHBondContact O-OG1 3.28Å; N101-T104 PolarHBondContact O-N 2.94Å; W102-T104 VanDerWaalsContact C-N 3.32Å; W102-T104 PolarHBondContact O-N 3.38Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.28Å; T104-R107 PolarHBondContact O-N 2.87Å; T104-M108 HydrophobicContact CG2-CE 4.21Å; T104-M108 VanDerWaalsContact O-CB 3.26Å; T104-M108 WeakPolarHBondContact O-CB 3.24Å; T104-M108 PolarHBondContact O-N 3.08Å
105	D	92.5	Very high	93.9	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.102	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-40.8	175.9	-82.6	-4.6	0	0	0	112	R71 Y78 N101 W102 M108 L109	R71-D105 IonicContact CZ-OD2 2.76Å; R71-D105 IonicContact NE-OD2 2.87Å; R71-D105 PolarHBondContact NE-OD2 3.22Å; R71-D105 IonicContact NH2-OD2 3.41Å; R71-D105 PolarHBondContact NH2-OD2 3.22Å; Y78-D105 HydrophobicContact CE1-CB 4.22Å; N101-D105 PolarHBondContact O-N 2.97Å; N101-D105 VanDerWaalsContact O-N 3.09Å; W102-D105 PolarHBondContact O-N 3.29Å; D105-M108 PolarHBondContact O-N 3.43Å; D105-L109 HydrophobicContact CB-CD1 4.16Å; D105-L109 VanDerWaalsContact O-CB 3.22Å; D105-L109 WeakPolarHBondContact O-CB 3.28Å; D105-L109 VanDerWaalsContact O-CG 3.28Å; D105-L109 WeakPolarHBondContact O-CG 3.27Å; D105-L109 PolarHBondContact O-N 2.88Å
106	A	93.6	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-50.5	177.7	0	0	0	0	0	112.1	I14 Y78 W102 L103 T104 A110 I116	I14-A106 HydrophobicContact CD1-CB 3.79Å; Y78-A106 HydrophobicContact CE1-CB 4.18Å; W102-A106 WeakPolarHBondContact O-CB 3.11Å; W102-A106 PolarHBondContact O-N 3.45Å; L103-A106 PolarHBondContact O-N 3.35Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.28Å; A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.01Å; A106-I116 HydrophobicContact CB-CD1 3.86Å
107	R	94.3	Very high	93.9	Very high	61 Å²	61	44 Å²	44	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-40	179.8	-72.8	175.6	167.6	160.3	-1.1	112.5	L103 T104 S111 N143	L103-R107 HydrophobicContact CD1-CG 4.47Å; L103-R107 PolarHBondContact O-N 3.1Å; T104-R107 PolarHBondContact O-N 2.87Å; R107-S111 CarbonylContact O-C 3.6Å; R107-S111 VanDerWaalsContact O-C 3.26Å; R107-N143 PolarHBondContact NH2-O 2.95Å
108	M	92.3	Very high	93.9	Very high	136 Å²	136	39.1 Å²	39.1	67%	0.67	21%	0.21	S	C	*	.	H	α-helix	trans	-72.1	-41.3	-177.5	-172.1	-174.9	-61.8	0	0	112.8	T104 D105	T104-M108 HydrophobicContact CG2-CE 4.21Å; T104-M108 VanDerWaalsContact O-CB 3.26Å; T104-M108 WeakPolarHBondContact O-CB 3.24Å; T104-M108 PolarHBondContact O-N 3.08Å; D105-M108 PolarHBondContact O-N 3.43Å
109	L	91.5	Very high	94	Very high	54 Å²	54	38.3 Å²	38.3	28%	0.283	20%	0.204	S	C	.	.	H	α-helix	trans	-97	-27.9	-169.5	-58.7	173.6	0	0	0	113.8	R75 Y78 D105	R75-L109 HydrophobicContact CB-CD1 4.13Å; R75-L109 HydrophobicContact CG-CD1 3.63Å; Y78-L109 HydrophobicContact CD1-CB 3.82Å; Y78-L109 HydrophobicContact CD1-CD1 4.14Å; Y78-L109 HydrophobicContact CG-CB 3.88Å; Y78-L109 HydrophobicContact CG-CD1 4.17Å; D105-L109 HydrophobicContact CB-CD1 4.16Å; D105-L109 VanDerWaalsContact O-CB 3.22Å; D105-L109 WeakPolarHBondContact O-CB 3.28Å; D105-L109 VanDerWaalsContact O-CG 3.28Å; D105-L109 WeakPolarHBondContact O-CG 3.27Å; D105-L109 PolarHBondContact O-N 2.88Å
110	A	91.1	Very high	94	Very high	16 Å²	16	38.3 Å²	38.3	13%	0.132	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-77.3	178.2	0	0	0	0	0	111	Y78 A81 A106 I114	Y78-A110 VanDerWaalsContact O-CA 3.27Å; Y78-A110 WeakPolarHBondContact O-CA 3.45Å; Y78-A110 WeakPolarHBondContact O-CB 3.2Å; A81-A110 HydrophobicContact CB-CB 4.21Å; A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.01Å; A110-I114 HydrophobicContact CB-CD1 3.71Å
111	S	86.9	Confident	94.1	Very high	40 Å²	40	34.9 Å²	34.9	28%	0.28	18%	0.182	S	C	.	.			trans	-168.5	157	170.3	71	0	0	0	0	109.2	R107 N113 I114	R107-S111 CarbonylContact O-C 3.6Å; R107-S111 VanDerWaalsContact O-C 3.26Å; S111-N113 PolarHBondContact O-N 3.07Å; S111-N113 PolarHBondContact OG-N 3.11Å; S111-I114 WeakPolarHBondContact O-CG2 3.46Å; S111-I114 PolarHBondContact O-N 3.23Å; S111-I114 PolarHBondContact OG-N 2.93Å; S111-I114 VanDerWaalsContact OG-N 3.16Å
112	Q	85.4	Confident	94.3	Very high	137 Å²	137	32.7 Å²	32.7	64%	0.64	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.5	172.6	-166.1	62.4	25.5	0	0	112.5
113	N	86.4	Confident	94.5	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.332	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0	-175.8	-63.7	-18.9	0	0	0	113.7	S111 V115 L178	S111-N113 PolarHBondContact O-N 3.07Å; S111-N113 PolarHBondContact OG-N 3.11Å; N113-V115 PolarHBondContact O-N 2.55Å; N113-L178 HydrophobicContact CB-CD2 3.8Å
114	I	94.1	Very high	94.6	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.067	20%	0.195	C	C	.	.			trans	-54.9	132.1	179.7	-171.5	172.5	0	0	0	110.5	A81 A84 A110 S111 I116	A81-I114 HydrophobicContact CB-CD1 3.98Å; A84-I114 HydrophobicContact CB-CD1 3.91Å; A110-I114 HydrophobicContact CB-CD1 3.71Å; S111-I114 WeakPolarHBondContact O-CG2 3.46Å; S111-I114 PolarHBondContact O-N 3.23Å; S111-I114 PolarHBondContact OG-N 2.93Å; S111-I114 VanDerWaalsContact OG-N 3.16Å; I114-I116 HydrophobicContact CG1-CG1 4.3Å; I114-I116 HydrophobicContact CG2-CD1 3.81Å; I114-I116 HydrophobicContact CG2-CG1 3.94Å
115	V	97.3	Very high	94.8	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.9	176.3	174.6	0	0	0	0	109.1	A82 G83 A84 N113 K168 I169 K172	A82-V115 PolarHBondContact O-N 3.18Å; A82-V115 VanDerWaalsContact O-N 3.07Å; G83-V115 CarbonylContact C-O 3.59Å; G83-V115 WeakPolarHBondContact CA-O 3.44Å; A84-V115 PolarHBondContact N-O 3.34Å; N113-V115 PolarHBondContact O-N 2.55Å; V115-K168 HydrophobicContact CG1-CB 3.61Å; V115-K168 HydrophobicContact CG1-CD 3.91Å; V115-K168 HydrophobicContact CG1-CG 4.44Å; V115-K168 HydrophobicContact CG2-CB 4.44Å; V115-I169 HydrophobicContact CB-CD1 4.32Å; V115-I169 HydrophobicContact CB-CG1 3.74Å; V115-I169 HydrophobicContact CG1-CG1 4.32Å; V115-I169 HydrophobicContact CG2-CG1 3.59Å; V115-K172 HydrophobicContact CG2-CD 4Å
116	I	98.2	Very high	95	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.051	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.4	-177.1	-59.6	173.7	0	0	0	110.2	A84 L86 L103 A106 I114 L145	A84-I116 HydrophobicContact CB-CG1 4.35Å; A84-I116 WeakPolarHBondContact O-CA 3.42Å; L86-I116 HydrophobicContact CB-CG2 3.77Å; L103-I116 HydrophobicContact CD1-CD1 3.49Å; L103-I116 VanDerWaalsContact CD1-CD1 3.49Å; A106-I116 HydrophobicContact CB-CD1 3.86Å; I114-I116 HydrophobicContact CG1-CG1 4.3Å; I114-I116 HydrophobicContact CG2-CD1 3.81Å; I114-I116 HydrophobicContact CG2-CG1 3.94Å; I116-L145 HydrophobicContact CB-CD2 3.88Å; I116-L145 HydrophobicContact CG2-CD2 4.07Å
117	I	98.6	Very high	95.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.6	167.6	-50.8	-59	0	0	0	107.9	A84 L85 L86 M146 L148 A161 Q164 C165 K168	A84-I117 PolarHBondContact O-N 2.84Å; L85-I117 WeakPolarHBondContact CA-O 3.36Å; L86-I117 PolarHBondContact N-O 2.89Å; I117-M146 CarbonylContact C-O 3.45Å; I117-M146 WeakPolarHBondContact CA-O 3.49Å; I117-M146 HydrophobicContact CD1-CB 3.75Å; I117-M146 HydrophobicContact CD1-CG 4.08Å; I117-M146 HydrophobicContact CD1-SD 3.85Å; I117-L148 HydrophobicContact CG2-CD1 4.34Å; I117-A161 HydrophobicContact CG2-CB 4.46Å; I117-Q164 HydrophobicContact CD1-CB 4.46Å; I117-C165 HydrophobicContact CD1-CB 4.27Å; I117-C165 HydrophobicContact CG1-CB 3.59Å; I117-K168 HydrophobicContact CD1-CD 4.15Å
118	L	98.8	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.4	170.1	-179.9	66.6	0	0	0	109.1	L86 Y88 L99 F139 A140 L145 M146 F147 L148	L86-L118 HydrophobicContact CD2-CD1 4.17Å; L86-L118 HydrophobicContact CG-CD1 4.09Å; L86-L118 WeakPolarHBondContact O-CA 3.35Å; Y88-L118 HydrophobicContact CD1-CD1 3.88Å; Y88-L118 HydrophobicContact CD1-CG 4.4Å; Y88-L118 HydrophobicContact CE1-CD1 4.12Å; Y88-L118 HydrophobicContact CE1-CD2 4.38Å; Y88-L118 HydrophobicContact CE1-CG 4.15Å; L99-L118 HydrophobicContact CD1-CD1 3.75Å; L99-L118 HydrophobicContact CD2-CD1 3.58Å; L99-L118 HydrophobicContact CG-CD1 4.32Å; L118-F139 HydrophobicContact CD2-CD1 3.91Å; L118-F139 HydrophobicContact CD2-CE1 4.44Å; L118-A140 HydrophobicContact CD2-CB 3.96Å; L118-L145 HydrophobicContact CB-CB 4.48Å; L118-L145 HydrophobicContact CB-CD1 4.33Å; L118-M146 PolarHBondContact N-O 2.67Å; L118-F147 HydrophobicContact CB-CB 4.46Å; L118-F147 HydrophobicContact CB-CD2 4.11Å; L118-F147 HydrophobicContact CD2-CD2 3.73Å; L118-F147 HydrophobicContact CD2-CE2 4.31Å; L118-F147 HydrophobicContact CD2-CG 4.32Å; L118-F147 HydrophobicContact CG-CD2 3.77Å; L118-F147 HydrophobicContact CG-CE2 4.37Å; L118-F147 WeakPolarHBondContact O-CA 3.42Å; L118-L148 PolarHBondContact O-N 2.79Å
119	C	98.8	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.9	179.7	-60.6	0	0	0	0	110.3	L86 V87 Y88 N121 L148 T150	L86-C119 PolarHBondContact O-N 2.93Å; V87-C119 WeakPolarHBondContact CA-O 3.23Å; V87-C119 HydrophobicContact CG1-CB 4.48Å; V87-C119 HydrophobicContact CG2-CB 4.27Å; Y88-C119 WeakPolarHBondContact CD1-O 3.19Å; Y88-C119 PolarHBondContact N-O 2.87Å; C119-N121 PolarHBondContact O-N 3.39Å; C119-L148 VanDerWaalsContact CA-O 3.28Å; C119-L148 WeakPolarHBondContact CA-O 3.36Å; C119-T150 HydrophobicContact CB-CG2 4.43Å
120	G	98.8	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	96.6	165.9	0	0	0	0	0	109.4	Y88 L148 E149 T150	Y88-G120 VanDerWaalsContact CZ-CA 3.42Å; G120-L148 PolarHBondContact N-O 3.11Å; G120-E149 CarbonylContact O-C 3.42Å; G120-E149 WeakPolarHBondContact O-CA 3.43Å; G120-T150 PolarHBondContact O-N 2.85Å
121	N	98.8	Very high	96.4	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	167.8	-173.6	-166.1	36.3	0	0	0	112.3	T19 L24 V87 Y88 I90 C119 T150 A152	T19-N121 PolarHBondContact O-ND2 2.91Å; L24-N121 HydrophobicContact CD1-CB 4.31Å; V87-N121 HydrophobicContact CG1-CB 3.81Å; Y88-N121 PolarHBondContact O-N 3.03Å; I90-N121 PolarHBondContact N-O 3.3Å; I90-N121 VanDerWaalsContact N-O 3.07Å; C119-N121 PolarHBondContact O-N 3.39Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.28Å; N121-T150 WeakPolarHBondContact CA-O 3.47Å; N121-T150 PolarHBondContact OD1-O 3.45Å; N121-T150 PolarHBondContact OD1-OG1 2.77Å; N121-T150 VanDerWaalsContact OD1-OG1 3.08Å; N121-A152 PolarHBondContact OD1-N 2.98Å
122	K	98.4	Very high	97	Very high	56 Å²	56	48 Å²	48	24%	0.243	26%	0.255	C	S	.	.			trans	68.1	35.8	-176.7	-47	-166.5	-166.6	166.8	0	113.8	G18 D89 D124 L125 T150	G18-K122 VanDerWaalsContact O-CE 3.3Å; G18-K122 WeakPolarHBondContact O-CE 3.46Å; G18-K122 PolarHBondContact O-NZ 3.42Å; D89-K122 WeakPolarHBondContact OD1-CD 3.42Å; D89-K122 WeakPolarHBondContact OD2-CD 3.12Å; D89-K122 WeakPolarHBondContact OD2-CE 3.24Å; D89-K122 IonicContact OD2-NZ 3.75Å; D89-K122 PolarHBondContact OD2-NZ 2.76Å; K122-D124 WeakPolarHBondContact CA-OD1 3.44Å; K122-D124 PolarHBondContact O-N 2.69Å; K122-D124 VanDerWaalsContact O-N 3.11Å; K122-L125 HydrophobicContact CB-CD1 4.29Å; K122-L125 HydrophobicContact CD-CD1 4.2Å; K122-L125 PolarHBondContact O-N 2.83Å; K122-T150 PolarHBondContact N-O 2.99Å
123	K	98.6	Very high	97.6	Very high	60 Å²	60	46.8 Å²	46.8	26%	0.261	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56.7	-24.8	175.6	-165.1	-175.2	-179.6	-172.9	0	113.8	L125 D126 E149 T150 E156	K123-L125 PolarHBondContact O-N 3.2Å; K123-D126 PolarHBondContact O-N 3.35Å; K123-E149 HydrophobicContact CB-CB 4.46Å; K123-E149 HydrophobicContact CD-CB 3.76Å; K123-E149 HydrophobicContact CG-CB 4.23Å; K123-T150 WeakPolarHBondContact CB-O 3.39Å; K123-T150 PolarHBondContact N-O 2.81Å; K123-T150 VanDerWaalsContact N-O 3.07Å; K123-E156 IonicContact NZ-OE1 3.83Å; K123-E156 PolarHBondContact NZ-OE1 3.49Å
124	D	98.3	Very high	98.1	Very high	61 Å²	61	50.1 Å²	50.1	33%	0.326	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-59.8	-20.6	171.5	49.4	-75	0	0	0	114	K122 S151 L153 T154	K122-D124 WeakPolarHBondContact CA-OD1 3.44Å; K122-D124 PolarHBondContact O-N 2.69Å; K122-D124 VanDerWaalsContact O-N 3.11Å; D124-S151 VanDerWaalsContact CG-OG 3.32Å; D124-S151 VanDerWaalsContact OD1-CB 3.24Å; D124-S151 WeakPolarHBondContact OD1-CB 3.28Å; D124-S151 PolarHBondContact OD1-OG 3.3Å; D124-L153 HydrophobicContact CB-CD2 4.27Å; D124-L153 WeakPolarHBondContact OD2-CD2 3.3Å; D124-T154 HydrophobicContact CB-CG2 4.23Å
125	L	97.8	Very high	98.3	Very high	68 Å²	68	52.1 Å²	52.1	36%	0.356	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-100.9	34.8	176.8	-55.4	180	0	0	0	112.5	T91 K122 K123 A127 D128	T91-L125 HydrophobicContact CG2-CB 3.62Å; T91-L125 HydrophobicContact CG2-CD1 4.3Å; K122-L125 HydrophobicContact CB-CD1 4.29Å; K122-L125 HydrophobicContact CD-CD1 4.2Å; K122-L125 PolarHBondContact O-N 2.83Å; K123-L125 PolarHBondContact O-N 3.2Å; L125-A127 PolarHBondContact O-N 3.07Å; L125-D128 PolarHBondContact O-N 3.11Å
126	D	97.3	Very high	98.4	Very high	87 Å²	87	51.8 Å²	51.8	47%	0.465	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27.3	-176.3	-165.8	58.9	0	0	0	114	K123 D128 R129	K123-D126 PolarHBondContact O-N 3.35Å; D126-D128 PolarHBondContact O-N 3.05Å; D126-R129 WeakPolarHBondContact O-CB 3.46Å; D126-R129 PolarHBondContact O-N 3.21Å; D126-R129 IonicContact OD1-CZ 3.9Å; D126-R129 IonicContact OD1-NE 2.88Å; D126-R129 PolarHBondContact OD1-NE 3.26Å; D126-R129 IonicContact OD1-NH2 3.15Å; D126-R129 PolarHBondContact OD1-NH2 3.21Å
127	A	98.2	Very high	98.4	Very high	102 Å²	102	53.2 Å²	53.2	84%	0.843	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.6	-28.5	176	0	0	0	0	0	113.4	L125	L125-A127 PolarHBondContact O-N 3.07Å
128	D	98.3	Very high	98.4	Very high	106 Å²	106	60.9 Å²	60.9	57%	0.567	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-101	19	-179.7	-59.6	-45.1	0	0	0	111.7	T91 L125 D126 E130	T91-D128 WeakPolarHBondContact CA-O 3.21Å; T91-D128 WeakPolarHBondContact CB-O 3.28Å; T91-D128 HydrophobicContact CG2-CB 4.03Å; L125-D128 PolarHBondContact O-N 3.11Å; D126-D128 PolarHBondContact O-N 3.05Å; D128-E130 PolarHBondContact O-N 2.97Å
129	R	98.6	Very high	98.4	Very high	63 Å²	63	62 Å²	62	24%	0.238	32%	0.317	C	S	.	.			trans	-61.5	123.6	-176.3	176.2	-178	-70.7	-89.2	6.9	111.7	D126 V131 E149	D126-R129 WeakPolarHBondContact O-CB 3.46Å; D126-R129 PolarHBondContact O-N 3.21Å; D126-R129 IonicContact OD1-CZ 3.9Å; D126-R129 IonicContact OD1-NE 2.88Å; D126-R129 PolarHBondContact OD1-NE 3.26Å; D126-R129 IonicContact OD1-NH2 3.15Å; D126-R129 PolarHBondContact OD1-NH2 3.21Å; R129-V131 VanDerWaalsContact CD-O 3.29Å; R129-V131 WeakPolarHBondContact CD-O 2.89Å; R129-V131 WeakPolarHBondContact CG-O 3.37Å; R129-V131 PolarHBondContact NH1-O 3.47Å; R129-E149 IonicContact CZ-OE1 3.14Å; R129-E149 IonicContact CZ-OE2 3.34Å; R129-E149 IonicContact NH1-OE1 2.69Å; R129-E149 PolarHBondContact NH1-OE1 3.01Å; R129-E149 IonicContact NH1-OE2 2.67Å; R129-E149 VanDerWaalsContact NH2-CD 3.35Å; R129-E149 IonicContact NH2-OE1 2.63Å; R129-E149 PolarHBondContact NH2-OE1 2.83Å; R129-E149 VanDerWaalsContact NH2-OE1 3.15Å; R129-E149 IonicContact NH2-OE2 2.65Å; R129-E149 PolarHBondContact NH2-OE2 3.07Å
130	E	98.6	Very high	98.4	Very high	103 Å²	103	62 Å²	62	48%	0.481	32%	0.318	S	S	.	.			trans	-100.5	-23.9	171.1	-65.3	-169.9	174.8	0	0	112.4	I90 S92 R93 D128	I90-E130 PolarHBondContact O-N 2.96Å; S92-E130 WeakPolarHBondContact CA-OE2 3.32Å; R93-E130 HydrophobicContact CB-CB 4.26Å; R93-E130 VanDerWaalsContact CB-OE2 3.24Å; R93-E130 WeakPolarHBondContact CB-OE2 3.14Å; R93-E130 PolarHBondContact N-OE2 2.86Å; R93-E130 PolarHBondContact NE-O 3.08Å; R93-E130 PolarHBondContact NH2-O 2.84Å; D128-E130 PolarHBondContact O-N 2.97Å
131	V	98.6	Very high	98.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-116.6	120.2	-176.5	-174.7	0	0	0	0	110.3	Y88 I90 Y96 R129 E135 A136	Y88-V131 HydrophobicContact CE2-CB 3.96Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.2Å; I90-V131 PolarHBondContact O-N 2.97Å; I90-V131 VanDerWaalsContact O-N 3.09Å; Y96-V131 HydrophobicContact CD1-CG1 4.31Å; Y96-V131 HydrophobicContact CD2-CG1 3.65Å; Y96-V131 HydrophobicContact CE2-CG1 3.95Å; Y96-V131 HydrophobicContact CG-CG1 3.85Å; Y96-V131 HydrophobicContact CG-CG2 4.03Å; R129-V131 VanDerWaalsContact CD-O 3.29Å; R129-V131 WeakPolarHBondContact CD-O 2.89Å; R129-V131 WeakPolarHBondContact CG-O 3.37Å; R129-V131 PolarHBondContact NH1-O 3.47Å; V131-E135 HydrophobicContact CG1-CG 3.88Å; V131-A136 HydrophobicContact CG1-CB 4.32Å
132	T	98.6	Very high	98.3	Very high	69 Å²	69	75.7 Å²	75.7	42%	0.423	38%	0.381	S	S	.	.			trans	-72.5	151.1	-179.5	65	0	0	0	0	112.1	L134 E135 A136	T132-L134 PolarHBondContact O-N 3.37Å; T132-E135 PolarHBondContact N-OE1 3.28Å; T132-E135 WeakPolarHBondContact O-CG 3.39Å; T132-E135 VanDerWaalsContact OG1-CG 3.23Å; T132-E135 WeakPolarHBondContact OG1-CG 3.09Å; T132-E135 PolarHBondContact OG1-N 3.38Å; T132-E135 PolarHBondContact OG1-OE1 2.77Å; T132-A136 PolarHBondContact O-N 3.18Å
133	F	98.3	Very high	98.2	Very high	111 Å²	111	74.9 Å²	74.9	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-57.4	-41.3	172.9	179.6	-89.6	0	0	0	111.7	A136 S137 F147 E149	F133-A136 PolarHBondContact O-N 2.91Å; F133-S137 VanDerWaalsContact O-CB 3.23Å; F133-S137 WeakPolarHBondContact O-CB 3.2Å; F133-S137 PolarHBondContact O-N 2.87Å; F133-F147 HydrophobicContact CD2-CD1 4.44Å; F133-F147 AromaticContact CD2-CE1 3.52Å; F133-F147 HydrophobicContact CD2-CE1 3.52Å; F133-F147 HydrophobicContact CD2-CZ 4.16Å; F133-F147 AromaticContact CE2-CD1 3.97Å; F133-F147 HydrophobicContact CE2-CD1 3.97Å; F133-F147 AromaticContact CE2-CE1 3.47Å; F133-F147 HydrophobicContact CE2-CE1 3.47Å; F133-F147 VanDerWaalsContact CE2-CE1 3.47Å; F133-F147 HydrophobicContact CE2-CZ 4.34Å; F133-F147 HydrophobicContact CG-CE1 4.15Å; F133-F147 HydrophobicContact CZ-CD1 4.21Å; F133-F147 HydrophobicContact CZ-CE1 4.06Å; F133-E149 HydrophobicContact CD2-CG 4.07Å; F133-E149 HydrophobicContact CE2-CG 4.48Å
134	L	98.3	Very high	98.1	Very high	133 Å²	133	80.4 Å²	80.4	70%	0.696	41%	0.406	S	S	*	.	H	α-helix	trans	-65.6	-43.4	-174.5	-177.4	61.8	0	0	0	112.5	T132 S137 R138	T132-L134 PolarHBondContact O-N 3.37Å; L134-S137 PolarHBondContact O-N 3.3Å; L134-R138 PolarHBondContact O-N 3.16Å
135	E	98.1	Very high	98	Very high	55 Å²	55	78.5 Å²	78.5	26%	0.257	40%	0.396	S	S	.	.	H	α-helix	trans	-69.5	-39.8	179.9	73.6	-171.7	121.9	0	0	112	R93 Y96 V131 T132 S137 R138 F139	R93-E135 IonicContact CZ-OE1 3.45Å; R93-E135 IonicContact CZ-OE2 3.46Å; R93-E135 IonicContact NH1-OE1 3.11Å; R93-E135 PolarHBondContact NH1-OE1 2.87Å; R93-E135 VanDerWaalsContact NH1-OE1 3.11Å; R93-E135 IonicContact NH1-OE2 2.67Å; R93-E135 PolarHBondContact NH1-OE2 2.7Å; R93-E135 IonicContact NH2-OE1 3.96Å; R93-E135 PolarHBondContact NH2-OE1 3.32Å; R93-E135 IonicContact NH2-OE2 2.91Å; R93-E135 PolarHBondContact NH2-OE2 3.04Å; Y96-E135 PolarHBondContact OH-O 3.18Å; V131-E135 HydrophobicContact CG1-CG 3.88Å; T132-E135 PolarHBondContact N-OE1 3.28Å; T132-E135 WeakPolarHBondContact O-CG 3.39Å; T132-E135 VanDerWaalsContact OG1-CG 3.23Å; T132-E135 WeakPolarHBondContact OG1-CG 3.09Å; T132-E135 PolarHBondContact OG1-N 3.38Å; T132-E135 PolarHBondContact OG1-OE1 2.77Å; E135-S137 VanDerWaalsContact C-N 3.35Å; E135-R138 PolarHBondContact O-N 2.93Å; E135-F139 PolarHBondContact O-N 3.23Å
136	A	98.4	Very high	98	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-67.3	-37.5	176.1	0	0	0	0	0	111.8	Y88 Y96 V131 T132 F133 R138 F139 A140 F147	Y88-A136 HydrophobicContact CE1-CB 4.38Å; Y88-A136 WeakPolarHBondContact OH-CB 3.24Å; Y96-A136 HydrophobicContact CE2-CB 3.9Å; V131-A136 HydrophobicContact CG1-CB 4.32Å; T132-A136 PolarHBondContact O-N 3.18Å; F133-A136 PolarHBondContact O-N 2.91Å; A136-R138 VanDerWaalsContact C-N 3.35Å; A136-F139 PolarHBondContact O-N 3.02Å; A136-A140 WeakPolarHBondContact O-CB 3.27Å; A136-A140 PolarHBondContact O-N 3.31Å; A136-F147 HydrophobicContact CB-CE1 3.9Å; A136-F147 HydrophobicContact CB-CE2 3.96Å; A136-F147 HydrophobicContact CB-CZ 3.54Å
137	S	98.3	Very high	98.1	Very high	41 Å²	41	74.9 Å²	74.9	29%	0.287	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-39.3	172.5	-173.8	0	0	0	0	112	F133 L134 E135 A140 Q141	F133-S137 VanDerWaalsContact O-CB 3.23Å; F133-S137 WeakPolarHBondContact O-CB 3.2Å; F133-S137 PolarHBondContact O-N 2.87Å; L134-S137 PolarHBondContact O-N 3.3Å; E135-S137 VanDerWaalsContact C-N 3.35Å; S137-A140 PolarHBondContact O-N 3.22Å; S137-Q141 WeakPolarHBondContact O-CB 3.36Å; S137-Q141 PolarHBondContact O-N 3.24Å
138	R	98.6	Very high	98.1	Very high	160 Å²	160	71.6 Å²	71.6	60%	0.604	34%	0.343	S	S	*	.	H	α-helix	trans	-64.5	-48	174.8	176.8	179	-79.5	174.3	-5.9	110.9	L134 E135 A136 A140 Q141 E142	L134-R138 PolarHBondContact O-N 3.16Å; E135-R138 PolarHBondContact O-N 2.93Å; A136-R138 VanDerWaalsContact C-N 3.35Å; R138-A140 VanDerWaalsContact C-N 3.27Å; R138-A140 PolarHBondContact O-N 3.18Å; R138-Q141 PolarHBondContact O-N 3.2Å; R138-Q141 VanDerWaalsContact O-N 3.15Å; R138-E142 WeakPolarHBondContact CD-OE1 3.35Å; R138-E142 HydrophobicContact CG-CG 4.3Å; R138-E142 VanDerWaalsContact CG-OE1 3.23Å; R138-E142 WeakPolarHBondContact CG-OE1 3.5Å; R138-E142 WeakPolarHBondContact O-CG 3.22Å; R138-E142 PolarHBondContact O-N 2.88Å
139	F	98.6	Very high	98.1	Very high	23 Å²	23	67.1 Å²	67.1	10%	0.101	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-43.3	176.1	173.6	-90.2	0	0	0	111.7	Y96 L99 L103 L118 E135 A136 N143 L145	Y96-F139 HydrophobicContact CE2-CB 4.5Å; Y96-F139 VanDerWaalsContact OH-CB 3.31Å; Y96-F139 WeakPolarHBondContact OH-CB 3.49Å; L99-F139 HydrophobicContact CB-CE1 3.92Å; L99-F139 HydrophobicContact CB-CE2 4.47Å; L99-F139 HydrophobicContact CB-CZ 3.72Å; L99-F139 HydrophobicContact CD1-CD1 4.26Å; L99-F139 HydrophobicContact CD1-CE1 4.04Å; L103-F139 HydrophobicContact CD2-CZ 4.3Å; L118-F139 HydrophobicContact CD2-CD1 3.91Å; L118-F139 HydrophobicContact CD2-CE1 4.44Å; E135-F139 PolarHBondContact O-N 3.23Å; A136-F139 PolarHBondContact O-N 3.02Å; F139-N143 WeakPolarHBondContact O-CB 3.47Å; F139-N143 PolarHBondContact O-N 3.06Å; F139-N143 VanDerWaalsContact O-N 3.15Å; F139-N143 PolarHBondContact O-ND2 2.9Å; F139-L145 HydrophobicContact CE1-CD1 4.19Å
140	A	98.3	Very high	98.1	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-45.6	176.6	0	0	0	0	0	112	L118 A136 S137 R138 N143 E144 L145 F147	L118-A140 HydrophobicContact CD2-CB 3.96Å; A136-A140 WeakPolarHBondContact O-CB 3.27Å; A136-A140 PolarHBondContact O-N 3.31Å; S137-A140 PolarHBondContact O-N 3.22Å; R138-A140 VanDerWaalsContact C-N 3.27Å; R138-A140 PolarHBondContact O-N 3.18Å; A140-N143 CarbonylContact O-C 3.59Å; A140-N143 PolarHBondContact O-N 3.22Å; A140-E144 PolarHBondContact O-N 3.19Å; A140-L145 HydrophobicContact CB-CB 4.07Å; A140-L145 PolarHBondContact O-N 3.12Å; A140-F147 HydrophobicContact CB-CB 3.62Å; A140-F147 HydrophobicContact CB-CG 4.42Å
141	Q	97.8	Very high	98.1	Very high	154 Å²	154	59.2 Å²	59.2	72%	0.72	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-47.8	178.5	-174.7	-179.6	9.4	0	0	112.2	S137 R138 N143 E144	S137-Q141 WeakPolarHBondContact O-CB 3.36Å; S137-Q141 PolarHBondContact O-N 3.24Å; R138-Q141 PolarHBondContact O-N 3.2Å; R138-Q141 VanDerWaalsContact O-N 3.15Å; Q141-N143 PolarHBondContact O-N 2.74Å; Q141-E144 PolarHBondContact O-N 2.71Å; Q141-E144 VanDerWaalsContact O-N 3.14Å
142	E	97.9	Very high	98.1	Very high	136 Å²	136	59.4 Å²	59.4	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-61.2	-26.9	178.5	-72.1	171.6	-179.4	0	0	112.6	R138	R138-E142 WeakPolarHBondContact CD-OE1 3.35Å; R138-E142 HydrophobicContact CG-CG 4.3Å; R138-E142 VanDerWaalsContact CG-OE1 3.23Å; R138-E142 WeakPolarHBondContact CG-OE1 3.5Å; R138-E142 WeakPolarHBondContact O-CG 3.22Å; R138-E142 PolarHBondContact O-N 2.88Å
143	N	96.8	Very high	98	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.203	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	10.1	179.7	-72.2	-81.2	0	0	0	113.6	L103 R107 F139 A140 Q141 L145	L103-N143 HydrophobicContact CD2-CB 3.75Å; L103-N143 WeakPolarHBondContact CD2-OD1 3.48Å; R107-N143 PolarHBondContact NH2-O 2.95Å; F139-N143 WeakPolarHBondContact O-CB 3.47Å; F139-N143 PolarHBondContact O-N 3.06Å; F139-N143 VanDerWaalsContact O-N 3.15Å; F139-N143 PolarHBondContact O-ND2 2.9Å; A140-N143 CarbonylContact O-C 3.59Å; A140-N143 PolarHBondContact O-N 3.22Å; Q141-N143 PolarHBondContact O-N 2.74Å; N143-L145 VanDerWaalsContact C-N 3.26Å; N143-L145 HydrophobicContact CB-CD1 4.08Å; N143-L145 HydrophobicContact CB-CG 3.85Å; N143-L145 WeakPolarHBondContact O-CD2 3.42Å; N143-L145 PolarHBondContact O-N 3.15Å
144	E	96	Very high	97.9	Very high	177 Å²	177	59 Å²	59	83%	0.827	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	35.5	179.6	-54.8	176.4	173.4	0	0	114	A140 Q141	A140-E144 PolarHBondContact O-N 3.19Å; Q141-E144 PolarHBondContact O-N 2.71Å; Q141-E144 VanDerWaalsContact O-N 3.14Å
145	L	97.3	Very high	97.9	Very high	20 Å²	20	53.9 Å²	53.9	11%	0.105	27%	0.268	C	S	.	.			trans	-100	148.1	178.1	-48.1	-176.5	0	0	0	110.3	L103 I116 L118 F139 A140 N143	L103-L145 HydrophobicContact CD1-CD1 4.29Å; L103-L145 HydrophobicContact CD1-CD2 4.08Å; L103-L145 HydrophobicContact CD2-CD1 4.22Å; I116-L145 HydrophobicContact CB-CD2 3.88Å; I116-L145 HydrophobicContact CG2-CD2 4.07Å; L118-L145 HydrophobicContact CB-CB 4.48Å; L118-L145 HydrophobicContact CB-CD1 4.33Å; F139-L145 HydrophobicContact CE1-CD1 4.19Å; A140-L145 HydrophobicContact CB-CB 4.07Å; A140-L145 PolarHBondContact O-N 3.12Å; N143-L145 VanDerWaalsContact C-N 3.26Å; N143-L145 HydrophobicContact CB-CD1 4.08Å; N143-L145 HydrophobicContact CB-CG 3.85Å; N143-L145 WeakPolarHBondContact O-CD2 3.42Å; N143-L145 PolarHBondContact O-N 3.15Å
146	M	97.3	Very high	97.9	Very high	53 Å²	53	54.9 Å²	54.9	26%	0.261	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.7	161.1	170.9	177.7	-85.8	0	0	108.9	I117 L118 Q164	I117-M146 CarbonylContact C-O 3.45Å; I117-M146 WeakPolarHBondContact CA-O 3.49Å; I117-M146 HydrophobicContact CD1-CB 3.75Å; I117-M146 HydrophobicContact CD1-CG 4.08Å; I117-M146 HydrophobicContact CD1-SD 3.85Å; L118-M146 PolarHBondContact N-O 2.67Å; M146-Q164 HydrophobicContact SD-CB 3.61Å; M146-Q164 HydrophobicContact SD-CG 3.92Å
147	F	98.6	Very high	97.9	Very high	26 Å²	26	57.6 Å²	57.6	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.8	-177.4	172.2	-128.1	0	0	0	111.3	Y88 L118 F133 A136 A140 E149	Y88-F147 AromaticContact CE1-CE2 4Å; Y88-F147 HydrophobicContact CE1-CE2 4Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.38Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.38Å; L118-F147 HydrophobicContact CB-CB 4.46Å; L118-F147 HydrophobicContact CB-CD2 4.11Å; L118-F147 HydrophobicContact CD2-CD2 3.73Å; L118-F147 HydrophobicContact CD2-CE2 4.31Å; L118-F147 HydrophobicContact CD2-CG 4.32Å; L118-F147 HydrophobicContact CG-CD2 3.77Å; L118-F147 HydrophobicContact CG-CE2 4.37Å; L118-F147 WeakPolarHBondContact O-CA 3.42Å; F133-F147 HydrophobicContact CD2-CD1 4.44Å; F133-F147 AromaticContact CD2-CE1 3.52Å; F133-F147 HydrophobicContact CD2-CE1 3.52Å; F133-F147 HydrophobicContact CD2-CZ 4.16Å; F133-F147 AromaticContact CE2-CD1 3.97Å; F133-F147 HydrophobicContact CE2-CD1 3.97Å; F133-F147 AromaticContact CE2-CE1 3.47Å; F133-F147 HydrophobicContact CE2-CE1 3.47Å; F133-F147 VanDerWaalsContact CE2-CE1 3.47Å; F133-F147 HydrophobicContact CE2-CZ 4.34Å; F133-F147 HydrophobicContact CG-CE1 4.15Å; F133-F147 HydrophobicContact CZ-CD1 4.21Å; F133-F147 HydrophobicContact CZ-CE1 4.06Å; A136-F147 HydrophobicContact CB-CE1 3.9Å; A136-F147 HydrophobicContact CB-CE2 3.96Å; A136-F147 HydrophobicContact CB-CZ 3.54Å; A140-F147 HydrophobicContact CB-CB 3.62Å; A140-F147 HydrophobicContact CB-CG 4.42Å; F147-E149 HydrophobicContact CE1-CG 4.34Å; F147-E149 HydrophobicContact CE2-CG 4.17Å; F147-E149 HydrophobicContact CZ-CG 3.62Å
148	L	98.6	Very high	97.9	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.6	171.6	-65.9	170.4	0	0	0	109	I117 L118 C119 G120 E160 A161	I117-L148 HydrophobicContact CG2-CD1 4.34Å; L118-L148 PolarHBondContact O-N 2.79Å; C119-L148 VanDerWaalsContact CA-O 3.28Å; C119-L148 WeakPolarHBondContact CA-O 3.36Å; G120-L148 PolarHBondContact N-O 3.11Å; L148-E160 HydrophobicContact CD1-CB 4.48Å; L148-E160 HydrophobicContact CD1-CG 4.25Å; L148-A161 HydrophobicContact CD1-CB 4.07Å
149	E	98.8	Very high	97.9	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.1	162.9	-66.5	-170.5	158.6	0	0	109.6	G120 K123 R129 F133 F147 N157	G120-E149 CarbonylContact O-C 3.42Å; G120-E149 WeakPolarHBondContact O-CA 3.43Å; K123-E149 HydrophobicContact CB-CB 4.46Å; K123-E149 HydrophobicContact CD-CB 3.76Å; K123-E149 HydrophobicContact CG-CB 4.23Å; R129-E149 IonicContact CZ-OE1 3.14Å; R129-E149 IonicContact CZ-OE2 3.34Å; R129-E149 IonicContact NH1-OE1 2.69Å; R129-E149 PolarHBondContact NH1-OE1 3.01Å; R129-E149 IonicContact NH1-OE2 2.67Å; R129-E149 VanDerWaalsContact NH2-CD 3.35Å; R129-E149 IonicContact NH2-OE1 2.63Å; R129-E149 PolarHBondContact NH2-OE1 2.83Å; R129-E149 VanDerWaalsContact NH2-OE1 3.15Å; R129-E149 IonicContact NH2-OE2 2.65Å; R129-E149 PolarHBondContact NH2-OE2 3.07Å; F133-E149 HydrophobicContact CD2-CG 4.07Å; F133-E149 HydrophobicContact CE2-CG 4.48Å; F147-E149 HydrophobicContact CE1-CG 4.34Å; F147-E149 HydrophobicContact CE2-CG 4.17Å; F147-E149 HydrophobicContact CZ-CG 3.62Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.41Å; E149-N157 PolarHBondContact O-ND2 3.42Å
150	T	98.8	Very high	97.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.276	C	S	.	.			trans	-125.7	156	-173.8	61.5	0	0	0	0	111.2	C119 G120 N121 K122 K123 E156 N157 A161	C119-T150 HydrophobicContact CB-CG2 4.43Å; G120-T150 PolarHBondContact O-N 2.85Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.28Å; N121-T150 WeakPolarHBondContact CA-O 3.47Å; N121-T150 PolarHBondContact OD1-O 3.45Å; N121-T150 PolarHBondContact OD1-OG1 2.77Å; N121-T150 VanDerWaalsContact OD1-OG1 3.08Å; K122-T150 PolarHBondContact N-O 2.99Å; K123-T150 WeakPolarHBondContact CB-O 3.39Å; K123-T150 PolarHBondContact N-O 2.81Å; K123-T150 VanDerWaalsContact N-O 3.07Å; T150-E156 WeakPolarHBondContact CA-O 3.15Å; T150-N157 HydrophobicContact CG2-CB 3.96Å; T150-A161 HydrophobicContact CG2-CB 4.41Å
151	S	98.5	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.			trans	-129.4	112.5	165	171.1	0	0	0	0	109	D124 L153 T154 G155 E156 V158	D124-S151 VanDerWaalsContact CG-OG 3.32Å; D124-S151 VanDerWaalsContact OD1-CB 3.24Å; D124-S151 WeakPolarHBondContact OD1-CB 3.28Å; D124-S151 PolarHBondContact OD1-OG 3.3Å; S151-L153 PolarHBondContact O-N 2.95Å; S151-L153 PolarHBondContact OG-N 2.65Å; S151-T154 VanDerWaalsContact CB-OG1 3.24Å; S151-T154 WeakPolarHBondContact CB-OG1 3.49Å; S151-T154 PolarHBondContact OG-N 2.98Å; S151-T154 PolarHBondContact OG-OG1 3.28Å; S151-G155 CarbonylContact O-C 3.48Å; S151-G155 VanDerWaalsContact O-CA 3.25Å; S151-G155 WeakPolarHBondContact O-CA 3.44Å; S151-G155 PolarHBondContact O-N 3.06Å; S151-E156 PolarHBondContact N-O 3.06Å; S151-E156 PolarHBondContact O-N 3.44Å; S151-V158 VanDerWaalsContact O-CG2 3.3Å; S151-V158 WeakPolarHBondContact O-CG2 3.34Å
152	A	97.6	Very high	97.9	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.033	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.1	171.1	0	0	0	0	0	111.9	C23 L24 Q27 F33 N121	C23-A152 HydrophobicContact CB-CB 3.65Å; L24-A152 HydrophobicContact CD2-CB 3.94Å; L24-A152 HydrophobicContact CG-CB 4.16Å; Q27-A152 VanDerWaalsContact CD-O 3.28Å; Q27-A152 VanDerWaalsContact CG-O 3.28Å; Q27-A152 WeakPolarHBondContact CG-O 3.42Å; Q27-A152 PolarHBondContact NE2-O 3.19Å; F33-A152 HydrophobicContact CD2-CB 4.26Å; F33-A152 WeakPolarHBondContact CD2-O 3.12Å; F33-A152 HydrophobicContact CE2-CB 4.18Å; N121-A152 PolarHBondContact OD1-N 2.98Å
153	L	96.9	Very high	97.9	Very high	84 Å²	84	41.5 Å²	41.5	44%	0.44	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-52.7	179.5	178.9	62.3	0	0	0	111.5	F33 D124 S151	F33-L153 HydrophobicContact CB-CD1 4.28Å; F33-L153 HydrophobicContact CD1-CD1 3.56Å; F33-L153 HydrophobicContact CD2-CB 4.35Å; F33-L153 HydrophobicContact CD2-CD1 4.38Å; F33-L153 HydrophobicContact CE1-CD1 3.9Å; F33-L153 HydrophobicContact CE2-CB 4.43Å; F33-L153 HydrophobicContact CG-CD1 3.81Å; F33-L153 HydrophobicContact CZ-CD1 4.45Å; D124-L153 HydrophobicContact CB-CD2 4.27Å; D124-L153 WeakPolarHBondContact OD2-CD2 3.3Å; S151-L153 PolarHBondContact O-N 2.95Å; S151-L153 PolarHBondContact OG-N 2.65Å
154	T	97.4	Very high	98	Very high	88 Å²	88	41.4 Å²	41.4	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-20.8	-176.6	69.7	0	0	0	0	112.9	D124 S151 E156	D124-T154 HydrophobicContact CB-CG2 4.23Å; S151-T154 VanDerWaalsContact CB-OG1 3.24Å; S151-T154 WeakPolarHBondContact CB-OG1 3.49Å; S151-T154 PolarHBondContact OG-N 2.98Å; S151-T154 PolarHBondContact OG-OG1 3.28Å; T154-E156 VanDerWaalsContact C-N 3.33Å; T154-E156 WeakPolarHBondContact OG1-CB 3.49Å; T154-E156 PolarHBondContact OG1-N 2.84Å
155	G	97.8	Very high	98.1	Very high	25 Å²	25	33 Å²	33	26%	0.258	18%	0.175	S	C	.	.			trans	86.2	0.9	-171.8	0	0	0	0	0	114.1	Q27 S151 N157 V158	Q27-G155 VanDerWaalsContact NE2-N 3.15Å; S151-G155 CarbonylContact O-C 3.48Å; S151-G155 VanDerWaalsContact O-CA 3.25Å; S151-G155 WeakPolarHBondContact O-CA 3.44Å; S151-G155 PolarHBondContact O-N 3.06Å; G155-N157 PolarHBondContact O-N 3.33Å; G155-V158 PolarHBondContact O-N 2.91Å
156	E	98.5	Very high	98.1	Very high	75 Å²	75	32 Å²	32	35%	0.35	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	126.6	178.7	-171.3	-175.1	165.2	0	0	111.1	K123 T150 S151 T154 V158	K123-E156 IonicContact NZ-OE1 3.83Å; K123-E156 PolarHBondContact NZ-OE1 3.49Å; T150-E156 WeakPolarHBondContact CA-O 3.15Å; S151-E156 PolarHBondContact N-O 3.06Å; S151-E156 PolarHBondContact O-N 3.44Å; T154-E156 VanDerWaalsContact C-N 3.33Å; T154-E156 WeakPolarHBondContact OG1-CB 3.49Å; T154-E156 PolarHBondContact OG1-N 2.84Å; E156-V158 PolarHBondContact O-N 3.4Å
157	N	98.4	Very high	98.2	Very high	58 Å²	58	33.8 Å²	33.8	31%	0.31	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	6.3	179.3	-61.3	-32.1	0	0	0	116.3	E149 T150 G155 E160 A161	E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.41Å; E149-N157 PolarHBondContact O-ND2 3.42Å; T150-N157 HydrophobicContact CG2-CB 3.96Å; G155-N157 PolarHBondContact O-N 3.33Å; N157-E160 PolarHBondContact O-N 2.79Å; N157-A161 PolarHBondContact O-N 2.96Å
158	V	98.4	Very high	98.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-52.6	-179.7	177.6	0	0	0	0	110.3	L24 Q27 F28 S151 G155 E156 E160 A161 F162	L24-V158 HydrophobicContact CD2-CB 4.43Å; L24-V158 HydrophobicContact CD2-CG1 4.17Å; L24-V158 HydrophobicContact CD2-CG2 3.64Å; Q27-V158 HydrophobicContact CB-CG1 4.23Å; Q27-V158 HydrophobicContact CG-CB 4.33Å; Q27-V158 HydrophobicContact CG-CG1 4.13Å; Q27-V158 HydrophobicContact CG-CG2 4.06Å; F28-V158 HydrophobicContact CB-CG1 3.96Å; S151-V158 VanDerWaalsContact O-CG2 3.3Å; S151-V158 WeakPolarHBondContact O-CG2 3.34Å; G155-V158 PolarHBondContact O-N 2.91Å; E156-V158 PolarHBondContact O-N 3.4Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 2.9Å; V158-A161 PolarHBondContact O-N 3.36Å; V158-F162 HydrophobicContact CG1-CE2 4.31Å; V158-F162 VanDerWaalsContact O-CD2 3.22Å; V158-F162 WeakPolarHBondContact O-CD2 3.23Å
159	E	97.9	Very high	98	Very high	85 Å²	85	34.6 Å²	34.6	40%	0.397	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-40.3	177.7	179.6	158.1	-150.2	0	0	112.2	F28 K31 A161 F162 V163	F28-E159 HydrophobicContact CE2-CG 4.39Å; K31-E159 IonicContact NZ-OE1 3.85Å; K31-E159 IonicContact NZ-OE2 3.73Å; K31-E159 PolarHBondContact NZ-OE2 2.97Å; E159-A161 VanDerWaalsContact C-N 3.3Å; E159-A161 PolarHBondContact O-N 3.41Å; E159-F162 PolarHBondContact O-N 3.06Å; E159-V163 HydrophobicContact CG-CG2 4.02Å; E159-V163 WeakPolarHBondContact O-CB 3.15Å; E159-V163 WeakPolarHBondContact O-CG2 3.44Å; E159-V163 PolarHBondContact O-N 3.14Å
160	E	98.3	Very high	97.8	Very high	71 Å²	71	34.2 Å²	34.2	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-60.5	-39.3	180	-167.7	60	-154.4	0	0	111.7	L148 N157 V158 F162 V163 Q164 R167	L148-E160 HydrophobicContact CD1-CB 4.48Å; L148-E160 HydrophobicContact CD1-CG 4.25Å; N157-E160 PolarHBondContact O-N 2.79Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 2.9Å; E160-F162 PolarHBondContact O-N 2.95Å; E160-V163 PolarHBondContact O-N 2.96Å; E160-Q164 HydrophobicContact CG-CG 4.01Å; E160-Q164 VanDerWaalsContact O-CB 3.27Å; E160-Q164 WeakPolarHBondContact O-CB 3.28Å; E160-Q164 WeakPolarHBondContact O-CG 3.22Å; E160-Q164 PolarHBondContact O-N 3.23Å; E160-Q164 VanDerWaalsContact OE1-CD 3.3Å; E160-Q164 WeakPolarHBondContact OE1-CG 3.38Å; E160-Q164 PolarHBondContact OE1-NE2 3.14Å; E160-R167 IonicContact OE1-NH1 2.62Å
161	A	98.5	Very high	97.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.4	0	0	0	0	0	112.7	L85 I117 L148 T150 N157 V158 E159 C165	L85-A161 HydrophobicContact CD2-CB 3.98Å; I117-A161 HydrophobicContact CG2-CB 4.46Å; L148-A161 HydrophobicContact CD1-CB 4.07Å; T150-A161 HydrophobicContact CG2-CB 4.41Å; N157-A161 PolarHBondContact O-N 2.96Å; V158-A161 PolarHBondContact O-N 3.36Å; E159-A161 VanDerWaalsContact C-N 3.3Å; E159-A161 PolarHBondContact O-N 3.41Å; A161-C165 WeakPolarHBondContact O-CB 3.16Å; A161-C165 PolarHBondContact O-N 3.34Å
162	F	98.4	Very high	97.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-42.3	177.6	-70.7	-82.2	0	0	0	112.1	F11 V13 F28 L59 I61 L85 V158 E159 E160 C165 A166	F11-F162 HydrophobicContact CD2-CD1 4.07Å; F11-F162 HydrophobicContact CE2-CD1 4.38Å; V13-F162 HydrophobicContact CG2-CE1 4.42Å; V13-F162 HydrophobicContact CG2-CZ 4.44Å; F28-F162 HydrophobicContact CB-CD2 3.8Å; F28-F162 HydrophobicContact CB-CE2 3.53Å; F28-F162 HydrophobicContact CB-CZ 4.23Å; F28-F162 HydrophobicContact CD1-CD1 4.2Å; F28-F162 AromaticContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CD2 3.85Å; F28-F162 HydrophobicContact CD1-CE1 4.34Å; F28-F162 HydrophobicContact CD1-CE2 4.03Å; F28-F162 AromaticContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CZ 4.27Å; F28-F162 HydrophobicContact CD2-CB 4.09Å; F28-F162 AromaticContact CD2-CD2 3.45Å; F28-F162 HydrophobicContact CD2-CD2 3.45Å; F28-F162 VanDerWaalsContact CD2-CD2 3.45Å; F28-F162 HydrophobicContact CD2-CE2 4.12Å; F28-F162 AromaticContact CD2-CG 3.93Å; F28-F162 HydrophobicContact CD2-CG 3.93Å; F28-F162 HydrophobicContact CE1-CB 4.17Å; F28-F162 HydrophobicContact CE1-CD1 4.17Å; F28-F162 HydrophobicContact CE1-CD2 4.28Å; F28-F162 AromaticContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE2-CB 3.64Å; F28-F162 AromaticContact CE2-CD2 3.93Å; F28-F162 HydrophobicContact CE2-CD2 3.93Å; F28-F162 AromaticContact CE2-CG 3.93Å; F28-F162 HydrophobicContact CE2-CG 3.93Å; F28-F162 AromaticContact CG-CD2 3.4Å; F28-F162 HydrophobicContact CG-CD2 3.4Å; F28-F162 VanDerWaalsContact CG-CD2 3.4Å; F28-F162 AromaticContact CG-CE2 3.63Å; F28-F162 HydrophobicContact CG-CE2 3.63Å; F28-F162 AromaticContact CG-CG 3.94Å; F28-F162 HydrophobicContact CG-CG 3.94Å; F28-F162 HydrophobicContact CG-CZ 4.29Å; F28-F162 HydrophobicContact CZ-CB 3.67Å; F28-F162 HydrophobicContact CZ-CD2 4.31Å; F28-F162 AromaticContact CZ-CG 3.94Å; F28-F162 HydrophobicContact CZ-CG 3.94Å; L59-F162 HydrophobicContact CD1-CB 4.18Å; L59-F162 HydrophobicContact CD1-CD1 4.45Å; I61-F162 HydrophobicContact CD1-CD1 3.97Å; I61-F162 HydrophobicContact CD1-CE1 3.74Å; I61-F162 HydrophobicContact CG1-CE1 4.35Å; I61-F162 HydrophobicContact CG2-CE1 4.16Å; L85-F162 HydrophobicContact CD1-CD1 4.01Å; L85-F162 HydrophobicContact CD1-CE1 4.07Å; L85-F162 HydrophobicContact CD2-CD1 4.19Å; L85-F162 HydrophobicContact CD2-CD2 4.15Å; L85-F162 HydrophobicContact CD2-CE1 3.81Å; L85-F162 HydrophobicContact CD2-CE2 3.76Å; L85-F162 HydrophobicContact CD2-CG 4.34Å; L85-F162 HydrophobicContact CD2-CZ 3.58Å; V158-F162 HydrophobicContact CG1-CE2 4.31Å; V158-F162 VanDerWaalsContact O-CD2 3.22Å; V158-F162 WeakPolarHBondContact O-CD2 3.23Å; E159-F162 PolarHBondContact O-N 3.06Å; E160-F162 PolarHBondContact O-N 2.95Å; F162-C165 PolarHBondContact O-N 3.48Å; F162-A166 PolarHBondContact O-N 2.87Å
163	V	98.1	Very high	97.1	Very high	16 Å²	16	42 Å²	42	10%	0.097	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-43	179.9	169.7	0	0	0	0	111.4	I50 V52 E159 E160 A166 R167	I50-V163 HydrophobicContact CD1-CG2 4.09Å; V52-V163 HydrophobicContact CG2-CG1 4.44Å; E159-V163 HydrophobicContact CG-CG2 4.02Å; E159-V163 WeakPolarHBondContact O-CB 3.15Å; E159-V163 WeakPolarHBondContact O-CG2 3.44Å; E159-V163 PolarHBondContact O-N 3.14Å; E160-V163 PolarHBondContact O-N 2.96Å; V163-A166 PolarHBondContact O-N 2.95Å; V163-R167 WeakPolarHBondContact O-CB 3.38Å; V163-R167 PolarHBondContact O-N 3.47Å
164	Q	98.1	Very high	96.9	Very high	37 Å²	37	43.6 Å²	43.6	17%	0.173	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-38.6	178.2	-73.5	-70.8	2.6	0	0	112.4	I117 M146 E160 R167 K168	I117-Q164 HydrophobicContact CD1-CB 4.46Å; M146-Q164 HydrophobicContact SD-CB 3.61Å; M146-Q164 HydrophobicContact SD-CG 3.92Å; E160-Q164 HydrophobicContact CG-CG 4.01Å; E160-Q164 VanDerWaalsContact O-CB 3.27Å; E160-Q164 WeakPolarHBondContact O-CB 3.28Å; E160-Q164 WeakPolarHBondContact O-CG 3.22Å; E160-Q164 PolarHBondContact O-N 3.23Å; E160-Q164 VanDerWaalsContact OE1-CD 3.3Å; E160-Q164 WeakPolarHBondContact OE1-CG 3.38Å; E160-Q164 PolarHBondContact OE1-NE2 3.14Å; Q164-R167 PolarHBondContact O-N 3.35Å; Q164-K168 WeakPolarHBondContact O-CB 3.29Å; Q164-K168 WeakPolarHBondContact O-CG 3.12Å; Q164-K168 PolarHBondContact O-N 3.26Å
165	C	98.3	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-49.6	173	-166.2	0	0	0	0	110.6	F11 L85 I117 A161 F162 R167 K168 I169	F11-C165 HydrophobicContact CE2-CB 3.61Å; F11-C165 HydrophobicContact CZ-CB 3.75Å; F11-C165 VanDerWaalsContact CZ-SG 3.55Å; L85-C165 HydrophobicContact CD1-CB 4.46Å; I117-C165 HydrophobicContact CD1-CB 4.27Å; I117-C165 HydrophobicContact CG1-CB 3.59Å; A161-C165 WeakPolarHBondContact O-CB 3.16Å; A161-C165 PolarHBondContact O-N 3.34Å; F162-C165 PolarHBondContact O-N 3.48Å; C165-R167 PolarHBondContact O-N 2.78Å; C165-K168 PolarHBondContact O-N 2.94Å; C165-I169 WeakPolarHBondContact O-CG1 3.14Å; C165-I169 PolarHBondContact O-N 2.88Å; C165-I169 VanDerWaalsContact O-N 3.1Å
166	A	98	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-41.8	179.1	0	0	0	0	0	112.6	F9 F11 I50 V52 L59 F162 V163 I169 L170	F9-A166 HydrophobicContact CD2-CB 4.26Å; F9-A166 HydrophobicContact CE2-CB 4.27Å; F11-A166 HydrophobicContact CZ-CB 4.16Å; I50-A166 HydrophobicContact CD1-CB 3.85Å; V52-A166 HydrophobicContact CG2-CB 4.12Å; L59-A166 HydrophobicContact CD2-CB 4.23Å; F162-A166 PolarHBondContact O-N 2.87Å; V163-A166 PolarHBondContact O-N 2.95Å; A166-I169 PolarHBondContact O-N 3.24Å; A166-L170 PolarHBondContact O-N 2.92Å
167	R	97.8	Very high	95.6	Very high	89 Å²	89	46.8 Å²	46.8	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-45.2	176.4	-173.3	-178.7	-66.8	136.6	-2.7	111.7	V52 E160 V163 Q164 C165 I169 L170 N171	V52-R167 HydrophobicContact CG1-CB 3.73Å; V52-R167 HydrophobicContact CG1-CG 4.11Å; E160-R167 IonicContact OE1-NH1 2.62Å; V163-R167 WeakPolarHBondContact O-CB 3.38Å; V163-R167 PolarHBondContact O-N 3.47Å; Q164-R167 PolarHBondContact O-N 3.35Å; C165-R167 PolarHBondContact O-N 2.78Å; R167-I169 VanDerWaalsContact C-N 3.33Å; R167-I169 PolarHBondContact O-N 2.82Å; R167-L170 PolarHBondContact O-N 3.09Å; R167-N171 VanDerWaalsContact O-CG 3.22Å; R167-N171 PolarHBondContact O-N 3.34Å; R167-N171 PolarHBondContact O-OD1 3.4Å
168	K	96.8	Very high	95.1	Very high	77 Å²	77	44.9 Å²	44.9	34%	0.335	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-40.3	176.5	-81.3	178.7	176.7	-76.3	0	112.3	V115 I117 Q164 C165 N171 K172	V115-K168 HydrophobicContact CG1-CB 3.61Å; V115-K168 HydrophobicContact CG1-CD 3.91Å; V115-K168 HydrophobicContact CG1-CG 4.44Å; V115-K168 HydrophobicContact CG2-CB 4.44Å; I117-K168 HydrophobicContact CD1-CD 4.15Å; Q164-K168 WeakPolarHBondContact O-CB 3.29Å; Q164-K168 WeakPolarHBondContact O-CG 3.12Å; Q164-K168 PolarHBondContact O-N 3.26Å; C165-K168 PolarHBondContact O-N 2.94Å; K168-N171 PolarHBondContact O-N 3.25Å; K168-K172 WeakPolarHBondContact O-CG 3.38Å; K168-K172 PolarHBondContact O-N 3.24Å; K168-K172 VanDerWaalsContact O-N 3.11Å
169	I	96.2	Very high	94.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-46.4	175.7	-66	163.6	0	0	0	110.3	F9 F11 A82 V115 C165 A166 R167 N171 K172 I173 L178 I187	F9-I169 HydrophobicContact CD1-CG2 4.19Å; F9-I169 HydrophobicContact CD2-CB 4.37Å; F9-I169 HydrophobicContact CD2-CD1 4.22Å; F9-I169 HydrophobicContact CD2-CG2 4.17Å; F9-I169 HydrophobicContact CE1-CG2 3.83Å; F9-I169 HydrophobicContact CE2-CB 3.99Å; F9-I169 HydrophobicContact CE2-CG2 3.8Å; F9-I169 HydrophobicContact CG-CG2 4.38Å; F9-I169 HydrophobicContact CZ-CB 4.27Å; F9-I169 HydrophobicContact CZ-CG2 3.63Å; F11-I169 HydrophobicContact CD1-CD1 4.45Å; F11-I169 HydrophobicContact CE1-CD1 3.42Å; F11-I169 VanDerWaalsContact CE1-CD1 3.42Å; F11-I169 HydrophobicContact CZ-CD1 3.87Å; A82-I169 HydrophobicContact CB-CD1 4Å; V115-I169 HydrophobicContact CB-CD1 4.32Å; V115-I169 HydrophobicContact CB-CG1 3.74Å; V115-I169 HydrophobicContact CG1-CG1 4.32Å; V115-I169 HydrophobicContact CG2-CG1 3.59Å; C165-I169 WeakPolarHBondContact O-CG1 3.14Å; C165-I169 PolarHBondContact O-N 2.88Å; C165-I169 VanDerWaalsContact O-N 3.1Å; A166-I169 PolarHBondContact O-N 3.24Å; R167-I169 VanDerWaalsContact C-N 3.33Å; R167-I169 PolarHBondContact O-N 2.82Å; I169-N171 PolarHBondContact O-N 2.8Å; I169-K172 PolarHBondContact O-N 2.93Å; I169-I173 HydrophobicContact CG2-CD1 4.09Å; I169-I173 WeakPolarHBondContact O-CG1 3.47Å; I169-I173 PolarHBondContact O-N 3.14Å; I169-L178 HydrophobicContact CG2-CD1 4.34Å; I169-I187 HydrophobicContact CG2-CD1 3.88Å; I169-I187 HydrophobicContact CG2-CG1 4.26Å
170	L	95.5	Very high	93.8	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-45.2	176.2	-77.8	172.1	0	0	0	112.4	F7 F9 V52 K55 V57 A166 R167 K172 I173 E174	F7-L170 HydrophobicContact CD2-CD2 3.74Å; F7-L170 HydrophobicContact CE2-CD2 3.88Å; F7-L170 HydrophobicContact CG-CD2 4.18Å; F7-L170 HydrophobicContact CZ-CD2 4.37Å; F9-L170 HydrophobicContact CE2-CD2 4.42Å; F9-L170 HydrophobicContact CE2-CG 4.07Å; F9-L170 HydrophobicContact CZ-CD2 3.79Å; F9-L170 HydrophobicContact CZ-CG 3.9Å; V52-L170 HydrophobicContact CB-CD1 3.81Å; V52-L170 HydrophobicContact CG1-CD1 3.81Å; K55-L170 HydrophobicContact CB-CD1 4.4Å; K55-L170 HydrophobicContact CD-CD1 4.3Å; K55-L170 HydrophobicContact CD-CD2 3.91Å; V57-L170 HydrophobicContact CG2-CD1 3.92Å; V57-L170 HydrophobicContact CG2-CG 4.5Å; A166-L170 PolarHBondContact O-N 2.92Å; R167-L170 PolarHBondContact O-N 3.09Å; L170-K172 VanDerWaalsContact C-N 3.28Å; L170-K172 PolarHBondContact O-N 3.15Å; L170-I173 WeakPolarHBondContact O-CB 3.4Å; L170-I173 PolarHBondContact O-N 3.22Å; L170-I173 VanDerWaalsContact O-N 3.07Å; L170-E174 WeakPolarHBondContact O-CG 3.31Å; L170-E174 PolarHBondContact O-N 2.97Å
171	N	94.9	Very high	93	Very high	85 Å²	85	49 Å²	49	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-39.4	178.1	-68	0.1	0	0	0	111.7	R167 K168 I169 I173 E174 S175	R167-N171 VanDerWaalsContact O-CG 3.22Å; R167-N171 PolarHBondContact O-N 3.34Å; R167-N171 PolarHBondContact O-OD1 3.4Å; K168-N171 PolarHBondContact O-N 3.25Å; I169-N171 PolarHBondContact O-N 2.8Å; N171-I173 VanDerWaalsContact C-N 3.32Å; N171-E174 PolarHBondContact O-N 2.98Å; N171-S175 PolarHBondContact O-N 3.22Å; N171-S175 PolarHBondContact O-OG 3.34Å
172	K	93.5	Very high	92.2	Very high	57 Å²	57	56.8 Å²	56.8	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-31.6	175.2	-74.4	-170.2	173.4	-166.6	0	113.1	V115 K168 I169 L170 S175 G176 E177 L178	V115-K172 HydrophobicContact CG2-CD 4Å; K168-K172 WeakPolarHBondContact O-CG 3.38Å; K168-K172 PolarHBondContact O-N 3.24Å; K168-K172 VanDerWaalsContact O-N 3.11Å; I169-K172 PolarHBondContact O-N 2.93Å; L170-K172 VanDerWaalsContact C-N 3.28Å; L170-K172 PolarHBondContact O-N 3.15Å; K172-S175 PolarHBondContact O-OG 2.86Å; K172-G176 PolarHBondContact O-N 2.7Å; K172-E177 HydrophobicContact CB-CB 4.19Å; K172-E177 HydrophobicContact CG-CB 4.4Å; K172-E177 PolarHBondContact O-N 2.77Å; K172-L178 HydrophobicContact CB-CB 4.05Å; K172-L178 HydrophobicContact CB-CD1 3.71Å; K172-L178 HydrophobicContact CB-CG 3.8Å; K172-L178 HydrophobicContact CD-CD1 3.78Å; K172-L178 HydrophobicContact CD-CG 4.05Å; K172-L178 HydrophobicContact CG-CD1 4.41Å; K172-L178 PolarHBondContact O-N 3.45Å
173	I	92.1	Very high	91.2	Very high	25 Å²	25	65.6 Å²	65.6	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-45.2	172.5	-64.6	165.1	0	0	0	109.8	F7 F9 I169 L170 N171 S175 G176 L178 P180 I187	F7-I173 HydrophobicContact CD1-CD1 4.32Å; F7-I173 HydrophobicContact CE1-CD1 4.27Å; F9-I173 HydrophobicContact CE1-CD1 3.89Å; F9-I173 HydrophobicContact CZ-CD1 3.98Å; I169-I173 HydrophobicContact CG2-CD1 4.09Å; I169-I173 WeakPolarHBondContact O-CG1 3.47Å; I169-I173 PolarHBondContact O-N 3.14Å; L170-I173 WeakPolarHBondContact O-CB 3.4Å; L170-I173 PolarHBondContact O-N 3.22Å; L170-I173 VanDerWaalsContact O-N 3.07Å; N171-I173 VanDerWaalsContact C-N 3.32Å; I173-S175 PolarHBondContact O-N 3.33Å; I173-G176 PolarHBondContact O-N 3.09Å; I173-G176 VanDerWaalsContact O-N 3.16Å; I173-L178 WeakPolarHBondContact CA-O 3.46Å; I173-L178 HydrophobicContact CG1-CB 4.19Å; I173-P180 HydrophobicContact CD1-CG 4.22Å; I173-P180 HydrophobicContact CG1-CG 4.13Å; I173-P180 HydrophobicContact CG2-CG 3.7Å; I173-I187 HydrophobicContact CD1-CD1 3.97Å; I173-I187 HydrophobicContact CD1-CG2 4.1Å; I173-I187 HydrophobicContact CG1-CD1 4.17Å
174	E	91.3	Very high	90.2	Very high	119 Å²	119	66.9 Å²	66.9	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-66.6	-33.7	-179.8	-70.6	172.4	-177.1	0	0	113.1	K55 L170 N171 G176	K55-E174 IonicContact NZ-OE1 3.78Å; K55-E174 PolarHBondContact NZ-OE1 3.43Å; L170-E174 WeakPolarHBondContact O-CG 3.31Å; L170-E174 PolarHBondContact O-N 2.97Å; N171-E174 PolarHBondContact O-N 2.98Å; E174-G176 VanDerWaalsContact C-N 3.3Å
175	S	92.4	Very high	89.4	Confident	68 Å²	68	66.1 Å²	66.1	48%	0.476	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-10.8	174.2	69.9	0	0	0	0	113.8	N171 K172 I173 E177	N171-S175 PolarHBondContact O-N 3.22Å; N171-S175 PolarHBondContact O-OG 3.34Å; K172-S175 PolarHBondContact O-OG 2.86Å; I173-S175 PolarHBondContact O-N 3.33Å; S175-E177 VanDerWaalsContact C-N 3.33Å; S175-E177 WeakPolarHBondContact OG-CG 3.4Å; S175-E177 PolarHBondContact OG-OE1 3.15Å
176	G	87.9	Confident	88.6	Confident	61 Å²	61	66.8 Å²	66.8	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	6.3	-176.4	0	0	0	0	0	115	K172 I173 E174 L178	K172-G176 PolarHBondContact O-N 2.7Å; I173-G176 PolarHBondContact O-N 3.09Å; I173-G176 VanDerWaalsContact O-N 3.16Å; E174-G176 VanDerWaalsContact C-N 3.3Å; G176-L178 VanDerWaalsContact C-N 3.33Å
177	E	87.9	Confident	88.1	Confident	125 Å²	125	67.1 Å²	67.1	58%	0.584	35%	0.352	S	S	*	.	S	Bend	trans	-68.9	-31.5	174.1	-73.9	169	-129.8	0	0	112.8	K172 S175	K172-E177 HydrophobicContact CB-CB 4.19Å; K172-E177 HydrophobicContact CG-CB 4.4Å; K172-E177 PolarHBondContact O-N 2.77Å; S175-E177 VanDerWaalsContact C-N 3.33Å; S175-E177 WeakPolarHBondContact OG-CG 3.4Å; S175-E177 PolarHBondContact OG-OE1 3.15Å
178	L	86.8	Confident	87.6	Confident	19 Å²	19	68.5 Å²	68.5	10%	0.099	36%	0.362	C	S	.	.	S	Bend	trans	-118.3	117	174.9	-75.9	-179.8	0	0	0	110.2	N113 I169 K172 I173 G176 P180 I187	N113-L178 HydrophobicContact CB-CD2 3.8Å; I169-L178 HydrophobicContact CG2-CD1 4.34Å; K172-L178 HydrophobicContact CB-CB 4.05Å; K172-L178 HydrophobicContact CB-CD1 3.71Å; K172-L178 HydrophobicContact CB-CG 3.8Å; K172-L178 HydrophobicContact CD-CD1 3.78Å; K172-L178 HydrophobicContact CD-CG 4.05Å; K172-L178 HydrophobicContact CG-CD1 4.41Å; K172-L178 PolarHBondContact O-N 3.45Å; I173-L178 WeakPolarHBondContact CA-O 3.46Å; I173-L178 HydrophobicContact CG1-CB 4.19Å; G176-L178 VanDerWaalsContact C-N 3.33Å; L178-P180 WeakPolarHBondContact O-CD 3.38Å; L178-I187 HydrophobicContact CB-CD1 4.45Å; L178-I187 HydrophobicContact CD1-CD1 4.3Å
179	D	85.2	Confident	87.2	Confident	83 Å²	83	68.4 Å²	68.4	44%	0.444	36%	0.36	S	S	.	.			trans	-88.9	116.5	170.7	178.4	6.7	0	0	0	110.1	E181 R182	D179-E181 PolarHBondContact O-N 3.43Å; D179-E181 PolarHBondContact OD1-N 3.1Å; D179-R182 HydrophobicContact CB-CB 4.15Å; D179-R182 WeakPolarHBondContact O-CB 3.32Å; D179-R182 PolarHBondContact O-N 3.16Å
180	P	83.9	Confident	86.5	Confident	13 Å²	13	68.4 Å²	68.4	8%	0.084	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.2	173.8	-28.5	39.2	0	0	0	114	I173 L178 R182 S185 I187 Y189	I173-P180 HydrophobicContact CD1-CG 4.22Å; I173-P180 HydrophobicContact CG1-CG 4.13Å; I173-P180 HydrophobicContact CG2-CG 3.7Å; L178-P180 WeakPolarHBondContact O-CD 3.38Å; P180-R182 VanDerWaalsContact C-N 3.32Å; P180-S185 PolarHBondContact O-OG 3.26Å; P180-S185 VanDerWaalsContact O-OG 3.11Å; P180-I187 HydrophobicContact CB-CB 4.42Å; P180-I187 HydrophobicContact CB-CG2 3.79Å; P180-I187 HydrophobicContact CG-CG2 4.19Å; P180-Y189 HydrophobicContact CB-CD2 4.48Å; P180-Y189 HydrophobicContact CB-CE2 3.83Å; P180-Y189 HydrophobicContact CG-CE2 4.39Å
181	E	82.2	Confident	85.6	Confident	150 Å²	150	72.2 Å²	72.2	70%	0.701	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.4	-175.3	-58.8	-167.3	156.6	0	0	112.9	D179 M183 Y189	D179-E181 PolarHBondContact O-N 3.43Å; D179-E181 PolarHBondContact OD1-N 3.1Å; E181-M183 PolarHBondContact O-N 3.22Å; E181-Y189 HydrophobicContact CG-CE2 4.22Å
182	R	82	Confident	84.5	Confident	163 Å²	163	69.1 Å²	69.1	62%	0.615	37%	0.368	S	S	*	.	S	Bend	trans	-61.4	122.6	176.5	-177.1	177	175.4	175.1	-0.1	110.4	D179 P180 G184 S185	D179-R182 HydrophobicContact CB-CB 4.15Å; D179-R182 WeakPolarHBondContact O-CB 3.32Å; D179-R182 PolarHBondContact O-N 3.16Å; P180-R182 VanDerWaalsContact C-N 3.32Å; R182-G184 PolarHBondContact O-N 3Å; R182-S185 VanDerWaalsContact O-CB 3.23Å; R182-S185 WeakPolarHBondContact O-CB 3.14Å; R182-S185 PolarHBondContact O-N 3.37Å; R182-S185 PolarHBondContact O-OG 3.28Å
183	M	76.1	Confident	83.1	Confident	187 Å²	187	66.9 Å²	66.9	92%	0.921	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	126.6	175.6	-92.4	-157.7	-96.2	0	0	111.5	E181	E181-M183 PolarHBondContact O-N 3.22Å
184	G	77.1	Confident	81.8	Confident	43 Å²	43	69 Å²	69	44%	0.443	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	13.1	-179.1	0	0	0	0	0	115	G80 R182 G186	G80-G184 WeakPolarHBondContact CA-O 3.21Å; R182-G184 PolarHBondContact O-N 3Å; G184-G186 PolarHBondContact O-N 3.2Å
185	S	80.9	Confident	80.4	Confident	20 Å²	20	71.5 Å²	71.5	14%	0.14	38%	0.375	C	S	.	.			trans	-63.8	-26.4	172.9	63.3	0	0	0	0	113.5	P180 R182 I187	P180-S185 PolarHBondContact O-OG 3.26Å; P180-S185 VanDerWaalsContact O-OG 3.11Å; R182-S185 VanDerWaalsContact O-CB 3.23Å; R182-S185 WeakPolarHBondContact O-CB 3.14Å; R182-S185 PolarHBondContact O-N 3.37Å; R182-S185 PolarHBondContact O-OG 3.28Å; S185-I187 PolarHBondContact O-N 3.3Å; S185-I187 PolarHBondContact OG-N 2.83Å; S185-I187 PolarHBondContact OG-O 3.45Å
186	G	81.8	Confident	79	Confident	14 Å²	14	75.2 Å²	75.2	14%	0.144	39%	0.385	C	S	.	.	S	Bend	trans	75.5	11.9	-171.6	0	0	0	0	0	114.6	K10 G80 G184	K10-G186 PolarHBondContact N-O 3.43Å; G80-G186 WeakPolarHBondContact O-CA 3.3Å; G184-G186 PolarHBondContact O-N 3.2Å
187	I	88	Confident	77.7	Confident	7 Å²	7	78 Å²	78	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.3	-178.3	-59.9	160.5	0	0	0	108.1	F7 L8 F9 A82 I169 I173 L178 P180 S185	F7-I187 HydrophobicContact CD1-CG2 4.34Å; L8-I187 CarbonylContact O-C 3.55Å; L8-I187 WeakPolarHBondContact O-CA 3.26Å; F9-I187 HydrophobicContact CD1-CB 4.25Å; F9-I187 HydrophobicContact CD1-CG1 3.83Å; F9-I187 HydrophobicContact CD1-CG2 3.9Å; F9-I187 HydrophobicContact CE1-CB 4.4Å; F9-I187 HydrophobicContact CE1-CG1 4.03Å; F9-I187 HydrophobicContact CE1-CG2 3.66Å; A82-I187 HydrophobicContact CB-CD1 4.39Å; A82-I187 HydrophobicContact CB-CG1 3.77Å; I169-I187 HydrophobicContact CG2-CD1 3.88Å; I169-I187 HydrophobicContact CG2-CG1 4.26Å; I173-I187 HydrophobicContact CD1-CD1 3.97Å; I173-I187 HydrophobicContact CD1-CG2 4.1Å; I173-I187 HydrophobicContact CG1-CD1 4.17Å; L178-I187 HydrophobicContact CB-CD1 4.45Å; L178-I187 HydrophobicContact CD1-CD1 4.3Å; P180-I187 HydrophobicContact CB-CB 4.42Å; P180-I187 HydrophobicContact CB-CG2 3.79Å; P180-I187 HydrophobicContact CG-CG2 4.19Å; S185-I187 PolarHBondContact O-N 3.3Å; S185-I187 PolarHBondContact OG-N 2.83Å; S185-I187 PolarHBondContact OG-O 3.45Å
188	Q	88.1	Confident	76.1	Confident	118 Å²	118	81.9 Å²	81.9	55%	0.551	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	145	172	-60.4	176.6	-9.2	0	0	109.8	F7 L8	F7-Q188 CarbonylContact C-O 3.39Å; F7-Q188 WeakPolarHBondContact CA-O 3.49Å; L8-Q188 HydrophobicContact CB-CB 4.25Å; L8-Q188 HydrophobicContact CD2-CB 4.49Å; L8-Q188 HydrophobicContact CD2-CG 4.48Å; L8-Q188 PolarHBondContact N-O 3.32Å; L8-Q188 PolarHBondContact O-N 3.45Å
189	Y	87.5	Confident	74.1	Confident	75 Å²	75	84.9 Å²	84.9	29%	0.294	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.4	166.8	-70	-68.4	0	0	0	110	F7 P180 E181 A193	F7-Y189 HydrophobicContact CD1-CD1 4.21Å; F7-Y189 HydrophobicContact CD1-CE1 4.32Å; F7-Y189 AromaticContact CE1-CD1 3.79Å; F7-Y189 HydrophobicContact CE1-CD1 3.79Å; F7-Y189 AromaticContact CE1-CE1 3.5Å; F7-Y189 HydrophobicContact CE1-CE1 3.5Å; F7-Y189 HydrophobicContact CZ-CD1 4.39Å; F7-Y189 HydrophobicContact CZ-CE1 4.04Å; P180-Y189 HydrophobicContact CB-CD2 4.48Å; P180-Y189 HydrophobicContact CB-CE2 3.83Å; P180-Y189 HydrophobicContact CG-CE2 4.39Å; E181-Y189 HydrophobicContact CG-CE2 4.22Å; Y189-A193 HydrophobicContact CD1-CB 3.71Å; Y189-A193 HydrophobicContact CG-CB 4.33Å
190	G	81.4	Confident	72.2	Confident	1 Å²	1	86 Å²	86	1%	0.01	43%	0.428	C	S	.	.			trans	-86.2	175.3	171.7	0	0	0	0	0	112.9	Y5 D6 A192 A193 L194	Y5-G190 CarbonylContact O-C 3.36Å; Y5-G190 VanDerWaalsContact O-CA 3.26Å; Y5-G190 WeakPolarHBondContact O-CA 3.29Å; D6-G190 PolarHBondContact O-N 2.77Å; G190-A192 PolarHBondContact O-N 3.14Å; G190-A193 PolarHBondContact O-N 2.72Å; G190-L194 WeakPolarHBondContact O-CG 3.28Å; G190-L194 PolarHBondContact O-N 3.49Å
191	D	77.6	Confident	70.5	Confident	83 Å²	83	97.7 Å²	97.7	44%	0.444	47%	0.471	S	S	.	.	H	α-helix	trans	-58.1	-31.7	-176.7	-64.9	-38.7	0	0	0	113.1	Y5 R195	Y5-D191 PolarHBondContact O-N 3.49Å; D191-R195 VanDerWaalsContact O-CG 3.29Å; D191-R195 WeakPolarHBondContact O-CG 3.5Å; D191-R195 PolarHBondContact O-N 3Å; D191-R195 VanDerWaalsContact O-N 3.17Å
192	A	70.4	Confident	68.7	Low	21 Å²	21	102.3 Å²	102.3	17%	0.174	48%	0.482	C	S	.	.	H	α-helix	trans	-71.1	-44.6	179	0	0	0	0	0	111.9	Y5 D6 G190 R195 Q196	Y5-A192 WeakPolarHBondContact O-CB 3.35Å; Y5-A192 PolarHBondContact O-N 3.29Å; D6-A192 WeakPolarHBondContact OD1-CB 3.45Å; G190-A192 PolarHBondContact O-N 3.14Å; A192-R195 WeakPolarHBondContact O-CB 3.23Å; A192-R195 PolarHBondContact O-N 3.41Å; A192-Q196 PolarHBondContact O-N 3.09Å
193	A	65.4	Low	66.7	Low	10 Å²	10	97.8 Å²	97.8	8%	0.083	49%	0.486	C	S	.	.	H	α-helix	trans	-65.6	-40.1	177.2	0	0	0	0	0	111.7	D6 Y189 G190 R195 Q196 L197	D6-A193 VanDerWaalsContact O-CB 3.23Å; D6-A193 WeakPolarHBondContact O-CB 3.26Å; Y189-A193 HydrophobicContact CD1-CB 3.71Å; Y189-A193 HydrophobicContact CG-CB 4.33Å; G190-A193 PolarHBondContact O-N 2.72Å; A193-R195 VanDerWaalsContact C-N 3.29Å; A193-R195 PolarHBondContact O-N 2.69Å; A193-Q196 PolarHBondContact O-N 2.76Å; A193-L197 PolarHBondContact O-N 2.66Å
194	L	63.8	Low	65	Low	68 Å²	68	98.2 Å²	98.2	36%	0.356	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-34.3	174.8	-70.3	174.4	0	0	0	112.6	G190 R198	G190-L194 WeakPolarHBondContact O-CG 3.28Å; G190-L194 PolarHBondContact O-N 3.49Å; L194-R198 WeakPolarHBondContact O-CB 3.23Å; L194-R198 VanDerWaalsContact O-CG 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.42Å; L194-R198 PolarHBondContact O-N 3.37Å
195	R	62.9	Low	63.3	Low	172 Å²	172	100.9 Å²	100.9	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-67.3	-38.9	174.1	-75.3	173.3	-172.1	-177.1	4.1	112.3	D191 A192 A193 R198 S199	D191-R195 VanDerWaalsContact O-CG 3.29Å; D191-R195 WeakPolarHBondContact O-CG 3.5Å; D191-R195 PolarHBondContact O-N 3Å; D191-R195 VanDerWaalsContact O-N 3.17Å; A192-R195 WeakPolarHBondContact O-CB 3.23Å; A192-R195 PolarHBondContact O-N 3.41Å; A193-R195 VanDerWaalsContact C-N 3.29Å; A193-R195 PolarHBondContact O-N 2.69Å; R195-R198 PolarHBondContact O-N 3.41Å; R195-S199 PolarHBondContact O-N 2.67Å
196	Q	61.8	Low	61.5	Low	146 Å²	146	109 Å²	109	68%	0.682	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-41.1	176.2	-69.4	-178	10.9	0	0	111.8	A192 A193 R198 S199	A192-Q196 PolarHBondContact O-N 3.09Å; A193-Q196 PolarHBondContact O-N 2.76Å; Q196-R198 VanDerWaalsContact C-N 3.34Å; Q196-R198 PolarHBondContact O-N 2.87Å; Q196-S199 PolarHBondContact O-N 3.02Å
197	L	60.2	Low	59.5	Low	119 Å²	119	113.9 Å²	113.9	62%	0.623	57%	0.571	S	S	*	*	H	α-helix	trans	-66.2	-33.5	176	-75	161.8	0	0	0	113	A193	A193-L197 PolarHBondContact O-N 2.66Å
198	R	54.9	Low	57.5	Low	207 Å²	207	118 Å²	118	78%	0.781	61%	0.606	S	S	*	*	H	α-helix	trans	-82.4	-8.9	179.2	-73.9	178.9	179.2	-170.3	1.6	114.3	L194 R195 Q196 P200	L194-R198 WeakPolarHBondContact O-CB 3.23Å; L194-R198 VanDerWaalsContact O-CG 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.42Å; L194-R198 PolarHBondContact O-N 3.37Å; R195-R198 PolarHBondContact O-N 3.41Å; Q196-R198 VanDerWaalsContact C-N 3.34Å; Q196-R198 PolarHBondContact O-N 2.87Å; R198-P200 VanDerWaalsContact O-CD 3.25Å; R198-P200 WeakPolarHBondContact O-CD 3.24Å
199	S	45.9	Very low	55.6	Low	83 Å²	83	121.6 Å²	121.6	58%	0.58	62%	0.623	S	S	*	*	S	Bend	trans	-77.9	112.1	174.3	-168.7	0	0	0	0	108.9	R195 Q196 R201	R195-S199 PolarHBondContact O-N 2.67Å; Q196-S199 PolarHBondContact O-N 3.02Å; S199-R201 PolarHBondContact O-N 3.33Å
200	P	44.7	Very low	53.6	Low	105 Å²	105	127 Å²	127	68%	0.682	65%	0.651	S	S	*	*			trans	-61.5	139.7	173.8	-10.9	26	0	0	0	108	R198 R202	R198-P200 VanDerWaalsContact O-CD 3.25Å; R198-P200 WeakPolarHBondContact O-CD 3.24Å; P200-R202 PolarHBondContact O-N 3.11Å
201	R	48.4	Very low	51.8	Low	260 Å²	260	133.7 Å²	133.7	98%	0.981	70%	0.696	S	S	*	*			trans	-58.5	87.2	163.6	-76.1	-177.1	175.9	-176.2	-0.8	108.6	S199 G203	S199-R201 PolarHBondContact O-N 3.33Å; R201-G203 PolarHBondContact O-N 3.16Å
202	R	44.3	Very low	50.4	Low	246 Å²	246	132.9 Å²	132.9	93%	0.928	71%	0.708	S	S	*	*			trans	-80.1	108.3	163.8	-104.4	-175.4	171.9	-175.6	-2.3	107.1	P200	P200-R202 PolarHBondContact O-N 3.11Å
203	G	40.3	Very low	49.3	Very low	68 Å²	68	142 Å²	142	70%	0.701	77%	0.767	S	S	*	*			trans	138.9	63.4	159.4	0	0	0	0	0	117.1	R201	R201-G203 PolarHBondContact O-N 3.16Å
204	Q	39.9	Very low	48.4	Very low	196 Å²	196	148.6 Å²	148.6	92%	0.916	80%	0.802	S	S	*	*			trans	-127.8	102.9	130.1	-80.2	-171.7	-4.7	0	0	106.3	E206	Q204-E206 PolarHBondContact O-N 3Å
205	A	41.2	Very low	47.6	Very low	100 Å²	100	152.8 Å²	152.8	83%	0.826	83%	0.825	S	S	*	*			trans	-69.2	126	172.4	0	0	0	0	0	108.2	S207	A205-S207 PolarHBondContact O-N 2.76Å
206	E	42.2	Very low	46.8	Very low	191 Å²	191	151.7 Å²	151.7	89%	0.893	84%	0.835	S	S	*	*			trans	-57.6	116.3	166.7	-66.7	169.4	147.1	0	0	109.1	Q204 A208	Q204-E206 PolarHBondContact O-N 3Å; E206-A208 PolarHBondContact O-N 3.15Å
207	S	41.6	Very low	45.9	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	84%	0.844	S	S	*	*			trans	-86.6	86.7	156.1	59.6	0	0	0	0	107.5	A205 Q209	A205-S207 PolarHBondContact O-N 2.76Å; S207-Q209 PolarHBondContact O-N 3.26Å
208	A	45.7	Very low	45	Very low	94 Å²	94	154.1 Å²	154.1	78%	0.777	86%	0.858	S	S	*	*			trans	-64.6	116.4	158.9	0	0	0	0	0	107.4	E206	E206-A208 PolarHBondContact O-N 3.15Å
209	Q	46.8	Very low	44.4	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	86%	0.863	S	S	*	*			trans	-114.8	114.9	165.3	-147.1	169.6	-4.3	0	0	107.5	S207	S207-Q209 PolarHBondContact O-N 3.26Å
210	E	45.4	Very low	44.2	Very low	190 Å²	190	155.4 Å²	155.4	89%	0.888	88%	0.883	S	S	*	*			trans	-58.6	134.5	-172	-68.7	166	135.8	0	0	112.5
211	C	43.5	Very low	44.2	Very low	140 Å²	140	159.3 Å²	159.3	95%	0.946	90%	0.898	S	S	*	*			trans	-80.4	113	164.6	-158.7	0	0	0	0	107.6
212	G	50	Low	43.9	Very low	67 Å²	67	150.9 Å²	150.9	69%	0.691	89%	0.891	S	S	*	*			trans	-110.8	118	176	0	0	0	0	0	111.1
213	C	45.5	Very low	43.8	Very low	211 Å²	211	142.3 Å²	142.3	100%	1.426	89%	0.888	S	S	*	*			trans	30.7	0	156.9	-59.7	0	0	0	0	120

Retrieved 213 of 213 residues in 798 ms (Link to these results)

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