A0A087XTJ3_POEFO 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 A0A087XTJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 aa.

Structure Viewer

Loading PAE data...

(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	44.7	Very low	83.7	Confident	241 Å²	241	59.3 Å²	59.3	100%	1.187	31%	0.31	S	S	*	.				0	125.7	0	-74.7	170.3	175.9	0	0	106.5	E3	M1-E3 PolarHBondContact O-N 3.24Å
2	S	60.4	Low	84.8	Confident	94 Å²	94	54.3 Å²	54.3	66%	0.657	28%	0.284	S	S	*	.			trans	-65.3	123.2	175.1	48.6	0	0	0	0	108.3	T4	S2-T4 PolarHBondContact O-N 2.7Å; S2-T4 VanDerWaalsContact O-N 3.09Å
3	E	65.9	Low	85.8	Confident	130 Å²	130	50.2 Å²	50.2	61%	0.607	26%	0.262	S	S	*	.			trans	-60.9	114.7	170.3	-70.2	179.8	159.4	0	0	107.7	M1 Y5 V49	M1-E3 PolarHBondContact O-N 3.24Å; E3-Y5 VanDerWaalsContact O-CD1 3.24Å; E3-Y5 WeakPolarHBondContact O-CD1 3.29Å; E3-V49 HydrophobicContact CB-CG2 4.39Å; E3-V49 WeakPolarHBondContact OE2-CG2 3.44Å
4	T	85.4	Confident	86.6	Confident	76 Å²	76	46.6 Å²	46.6	47%	0.466	24%	0.243	S	C	.	.			trans	-73.9	127	176.6	48.2	0	0	0	0	109	S2	S2-T4 PolarHBondContact O-N 2.7Å; S2-T4 VanDerWaalsContact O-N 3.09Å
5	Y	90.4	Very high	87.3	Confident	40 Å²	40	43.5 Å²	43.5	16%	0.157	23%	0.227	C	C	.	.			trans	-127.3	156.7	175.8	52.1	-91.5	0	0	0	110.5	E3 F7 L8 K58 G190 A192	E3-Y5 VanDerWaalsContact O-CD1 3.24Å; E3-Y5 WeakPolarHBondContact O-CD1 3.29Å; Y5-F7 VanDerWaalsContact CD2-O 3.3Å; Y5-F7 WeakPolarHBondContact CD2-O 3.41Å; Y5-L8 HydrophobicContact CD2-CB 4.18Å; Y5-L8 HydrophobicContact CE2-CB 3.66Å; Y5-L8 HydrophobicContact CE2-CD1 4.3Å; Y5-K58 HydrophobicContact CD1-CB 3.85Å; Y5-K58 HydrophobicContact CD1-CD 3.85Å; Y5-K58 HydrophobicContact CD1-CG 4.48Å; Y5-K58 HydrophobicContact CD2-CB 4.04Å; Y5-K58 HydrophobicContact CE1-CB 4.28Å; Y5-K58 HydrophobicContact CE1-CD 3.62Å; Y5-K58 HydrophobicContact CE2-CB 4.42Å; Y5-K58 HydrophobicContact CG-CB 3.73Å; Y5-G190 CarbonylContact O-C 3.58Å; Y5-G190 VanDerWaalsContact O-CA 3.23Å; Y5-G190 WeakPolarHBondContact O-CA 3.13Å; Y5-A192 WeakPolarHBondContact O-CB 3.26Å; Y5-A192 PolarHBondContact O-N 3.24Å
6	D	92.4	Very high	87.8	Confident	18 Å²	18	42 Å²	42	10%	0.096	22%	0.222	C	C	.	.	S	Bend	trans	-83.6	-40.7	176.4	-61.6	-57.8	0	0	0	110.9	K55 T56 G190 S193	D6-K55 HydrophobicContact CB-CD 4.37Å; D6-K55 WeakPolarHBondContact OD2-CA 3.32Å; D6-T56 WeakPolarHBondContact CB-O 3.27Å; D6-T56 PolarHBondContact N-O 2.94Å; D6-T56 PolarHBondContact OD2-N 2.91Å; D6-G190 PolarHBondContact O-N 3.19Å; D6-S193 VanDerWaalsContact C-OG 3.25Å; D6-S193 WeakPolarHBondContact CA-OG 3.49Å; D6-S193 WeakPolarHBondContact CB-OG 3.32Å; D6-S193 VanDerWaalsContact O-CB 3.32Å; D6-S193 WeakPolarHBondContact O-CB 3.38Å; D6-S193 PolarHBondContact O-OG 3.32Å
7	F	94.4	Very high	88.2	Confident	11 Å²	11	41.8 Å²	41.8	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.6	-179	-63.8	-84.6	0	0	0	111.3	Y5 F9 K55 T56 V57 K58 L170 I173 I187 Q188 Y189	Y5-F7 VanDerWaalsContact CD2-O 3.3Å; Y5-F7 WeakPolarHBondContact CD2-O 3.41Å; F7-F9 HydrophobicContact CB-CD1 4.21Å; F7-F9 HydrophobicContact CB-CE1 3.61Å; F7-F9 HydrophobicContact CB-CZ 3.95Å; F7-F9 HydrophobicContact CD1-CE1 4.17Å; F7-F9 HydrophobicContact CG-CE1 4.05Å; F7-F9 HydrophobicContact CG-CZ 4.25Å; F7-K55 HydrophobicContact CE2-CD 4.25Å; F7-K55 HydrophobicContact CE2-CG 4.38Å; F7-T56 PolarHBondContact N-O 3.39Å; F7-V57 HydrophobicContact CB-CG1 4.37Å; F7-V57 HydrophobicContact CB-CG2 4.41Å; F7-V57 CarbonylContact O-C 3.33Å; F7-V57 WeakPolarHBondContact O-CA 3.46Å; F7-K58 PolarHBondContact O-N 3.25Å; F7-L170 HydrophobicContact CD2-CD2 3.68Å; F7-L170 HydrophobicContact CE2-CD2 3.72Å; F7-L170 HydrophobicContact CG-CD2 4.31Å; F7-L170 HydrophobicContact CZ-CD2 4.38Å; F7-I173 HydrophobicContact CD1-CD1 4.41Å; F7-I173 HydrophobicContact CE1-CD1 4.23Å; F7-I187 HydrophobicContact CD1-CG2 4.2Å; F7-Q188 CarbonylContact C-O 3.58Å; F7-Q188 WeakPolarHBondContact CA-O 3.31Å; F7-Y189 HydrophobicContact CD1-CD1 4.15Å; F7-Y189 HydrophobicContact CD1-CE1 4.32Å; F7-Y189 AromaticContact CE1-CD1 3.73Å; F7-Y189 HydrophobicContact CE1-CD1 3.73Å; F7-Y189 AromaticContact CE1-CE1 3.49Å; F7-Y189 HydrophobicContact CE1-CE1 3.49Å; F7-Y189 VanDerWaalsContact CE1-CE1 3.49Å; F7-Y189 HydrophobicContact CZ-CD1 4.44Å; F7-Y189 HydrophobicContact CZ-CE1 4.1Å
8	L	95.4	Very high	88.5	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126	165.4	175.2	161.4	0	0	0	108.1	Y5 K58 Q60 I187 Q188	Y5-L8 HydrophobicContact CD2-CB 4.18Å; Y5-L8 HydrophobicContact CE2-CB 3.66Å; Y5-L8 HydrophobicContact CE2-CD1 4.3Å; L8-K58 VanDerWaalsContact CA-O 3.29Å; L8-K58 WeakPolarHBondContact CA-O 3.42Å; L8-K58 HydrophobicContact CB-CB 4.48Å; L8-Q60 HydrophobicContact CD1-CG 4.22Å; L8-Q60 HydrophobicContact CD2-CG 4.37Å; L8-Q60 HydrophobicContact CG-CG 4.19Å; L8-I187 WeakPolarHBondContact O-CA 3.24Å; L8-Q188 HydrophobicContact CB-CB 4.26Å; L8-Q188 HydrophobicContact CD2-CB 4.43Å; L8-Q188 HydrophobicContact CD2-CG 4.37Å; L8-Q188 PolarHBondContact N-O 2.86Å; L8-Q188 PolarHBondContact O-N 3.17Å
9	F	96.9	Very high	88.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.4	176.4	-59.8	-24.8	0	0	0	110.8	F7 F11 V57 K58 L59 Q60 A166 I169 L170 I173 I187	F7-F9 HydrophobicContact CB-CD1 4.21Å; F7-F9 HydrophobicContact CB-CE1 3.61Å; F7-F9 HydrophobicContact CB-CZ 3.95Å; F7-F9 HydrophobicContact CD1-CE1 4.17Å; F7-F9 HydrophobicContact CG-CE1 4.05Å; F7-F9 HydrophobicContact CG-CZ 4.25Å; F9-F11 HydrophobicContact CB-CD1 3.96Å; F9-F11 HydrophobicContact CB-CE1 3.65Å; F9-F11 HydrophobicContact CD2-CE1 4.14Å; F9-F11 HydrophobicContact CG-CE1 4.34Å; F9-V57 HydrophobicContact CD1-CG1 4.47Å; F9-V57 HydrophobicContact CD2-CG1 3.37Å; F9-V57 HydrophobicContact CE2-CG1 3.54Å; F9-V57 HydrophobicContact CE2-CG2 4.26Å; F9-V57 HydrophobicContact CG-CG1 3.87Å; F9-V57 HydrophobicContact CZ-CG1 4.17Å; F9-K58 PolarHBondContact N-O 2.87Å; F9-L59 HydrophobicContact CB-CD2 4.02Å; F9-L59 HydrophobicContact CD2-CD2 4Å; F9-L59 HydrophobicContact CG-CD2 4.47Å; F9-Q60 PolarHBondContact O-N 2.73Å; F9-A166 HydrophobicContact CD2-CB 4.29Å; F9-A166 HydrophobicContact CE2-CB 4.34Å; F9-I169 HydrophobicContact CD1-CG2 4.24Å; F9-I169 HydrophobicContact CD2-CB 4.44Å; F9-I169 HydrophobicContact CD2-CD1 4.34Å; F9-I169 HydrophobicContact CD2-CG2 4.21Å; F9-I169 HydrophobicContact CE1-CG2 3.87Å; F9-I169 HydrophobicContact CE2-CB 4.06Å; F9-I169 HydrophobicContact CE2-CG2 3.83Å; F9-I169 HydrophobicContact CG-CG2 4.43Å; F9-I169 HydrophobicContact CZ-CB 4.32Å; F9-I169 HydrophobicContact CZ-CG2 3.66Å; F9-L170 HydrophobicContact CE2-CD2 4.37Å; F9-L170 HydrophobicContact CE2-CG 4.04Å; F9-L170 HydrophobicContact CZ-CD2 3.76Å; F9-L170 HydrophobicContact CZ-CG 3.88Å; F9-I173 HydrophobicContact CE1-CD1 3.93Å; F9-I173 HydrophobicContact CZ-CD1 4.01Å; F9-I187 HydrophobicContact CD1-CB 4.27Å; F9-I187 HydrophobicContact CD1-CG1 3.89Å; F9-I187 HydrophobicContact CD1-CG2 3.89Å; F9-I187 HydrophobicContact CE1-CB 4.41Å; F9-I187 HydrophobicContact CE1-CG1 4.07Å; F9-I187 HydrophobicContact CE1-CG2 3.66Å
10	K	96.6	Very high	89.3	Confident	35 Å²	35	38.5 Å²	38.5	15%	0.152	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.1	171.6	168.1	162.1	174.7	-161.7	0	111.4	W62 Y77 R79 G80 A81 A82 G83 G186	K10-W62 HydrophobicContact CB-CH2 4.07Å; K10-W62 HydrophobicContact CB-CZ3 3.72Å; K10-W62 HydrophobicContact CD-CE3 4.23Å; K10-W62 HydrophobicContact CD-CH2 3.67Å; K10-W62 HydrophobicContact CD-CZ2 4.13Å; K10-W62 HydrophobicContact CD-CZ3 3.75Å; K10-W62 HydrophobicContact CG-CE3 3.76Å; K10-W62 HydrophobicContact CG-CH2 3.73Å; K10-W62 HydrophobicContact CG-CZ3 3.29Å; K10-Y77 WeakPolarHBondContact CE-O 3.29Å; K10-Y77 PolarHBondContact NZ-O 3.32Å; K10-R79 PolarHBondContact NZ-O 2.89Å; K10-G80 VanDerWaalsContact CD-O 3.29Å; K10-G80 WeakPolarHBondContact CD-O 3.29Å; K10-G80 WeakPolarHBondContact CG-O 3.31Å; K10-A81 HydrophobicContact CG-CB 4.31Å; K10-A82 PolarHBondContact O-N 2.91Å; K10-G83 PolarHBondContact O-N 3.22Å; K10-G186 PolarHBondContact N-O 2.76Å
11	F	98	Very high	89.6	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.9	-177.2	-84.6	32.1	0	0	0	111.8	F9 L59 Q60 I61 W62 G83 L85 F162 C165 A166 I169	F9-F11 HydrophobicContact CB-CD1 3.96Å; F9-F11 HydrophobicContact CB-CE1 3.65Å; F9-F11 HydrophobicContact CD2-CE1 4.14Å; F9-F11 HydrophobicContact CG-CE1 4.34Å; F11-L59 HydrophobicContact CD1-CD2 4.41Å; F11-L59 HydrophobicContact CE1-CD2 3.97Å; F11-L59 HydrophobicContact CE2-CD1 4.23Å; F11-L59 HydrophobicContact CE2-CD2 4.19Å; F11-L59 HydrophobicContact CZ-CD2 3.86Å; F11-Q60 PolarHBondContact N-O 3.47Å; F11-I61 HydrophobicContact CB-CB 4.45Å; F11-I61 HydrophobicContact CB-CG1 4.08Å; F11-I61 HydrophobicContact CB-CG2 4.31Å; F11-I61 WeakPolarHBondContact O-CA 3.35Å; F11-W62 VanDerWaalsContact O-CE3 3.29Å; F11-W62 PolarHBondContact O-N 3.06Å; F11-G83 CarbonylContact C-O 3.53Å; F11-G83 VanDerWaalsContact CA-O 3.27Å; F11-G83 WeakPolarHBondContact CA-O 3.26Å; F11-L85 HydrophobicContact CD2-CD1 4.25Å; F11-F162 HydrophobicContact CD2-CD1 4.05Å; F11-F162 HydrophobicContact CE2-CD1 4.39Å; F11-C165 HydrophobicContact CE2-CB 3.63Å; F11-C165 HydrophobicContact CZ-CB 3.8Å; F11-C165 VanDerWaalsContact CZ-SG 3.59Å; F11-A166 HydrophobicContact CZ-CB 4.07Å; F11-I169 HydrophobicContact CD1-CD1 4.48Å; F11-I169 HydrophobicContact CE1-CD1 3.44Å; F11-I169 VanDerWaalsContact CE1-CD1 3.44Å; F11-I169 HydrophobicContact CZ-CD1 3.86Å
12	L	97.4	Very high	92.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.1	169.5	-55	170.7	0	0	0	110.7	I14 W62 Y78 A81 G83 A84 L85	L12-I14 HydrophobicContact CB-CG2 3.9Å; L12-W62 HydrophobicContact CD2-CB 3.96Å; L12-Y78 HydrophobicContact CD1-CD1 4.07Å; L12-Y78 HydrophobicContact CD1-CD2 4.31Å; L12-Y78 HydrophobicContact CD1-CE1 4.46Å; L12-Y78 HydrophobicContact CD1-CG 3.98Å; L12-A81 HydrophobicContact CD1-CB 3.59Å; L12-A81 HydrophobicContact CD2-CB 4.33Å; L12-A81 HydrophobicContact CG-CB 3.63Å; L12-G83 PolarHBondContact N-O 3.24Å; L12-A84 HydrophobicContact CB-CB 4.08Å; L12-A84 CarbonylContact O-C 3.57Å; L12-A84 VanDerWaalsContact O-CA 3.26Å; L12-A84 WeakPolarHBondContact O-CA 3.47Å; L12-L85 PolarHBondContact O-N 3.24Å
13	V	97.8	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.1	160.9	-167.4	0	0	0	0	107.5	K21 I61 W62 T64 L85 V87 F162	V13-K21 HydrophobicContact CB-CB 4.45Å; V13-K21 HydrophobicContact CG1-CB 3.61Å; V13-K21 HydrophobicContact CG1-CD 4.17Å; V13-K21 HydrophobicContact CG1-CG 3.85Å; V13-I61 HydrophobicContact CG2-CG2 3.62Å; V13-W62 PolarHBondContact N-O 3.23Å; V13-T64 PolarHBondContact O-N 3.1Å; V13-T64 VanDerWaalsContact O-N 3.17Å; V13-T64 PolarHBondContact O-OG1 2.85Å; V13-L85 HydrophobicContact CG1-CB 4.37Å; V13-V87 HydrophobicContact CG1-CG2 3.72Å; V13-F162 HydrophobicContact CG2-CE1 4.31Å; V13-F162 HydrophobicContact CG2-CZ 4.28Å
14	I	97.2	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.7	-171.7	62.3	170.1	0	0	0	111.2	L12 T64 Y78 L85 L86 V87 W102 A106	L12-I14 HydrophobicContact CB-CG2 3.9Å; I14-T64 HydrophobicContact CG2-CG2 4.26Å; I14-Y78 HydrophobicContact CD1-CE1 4.46Å; I14-Y78 HydrophobicContact CG2-CE1 4.39Å; I14-Y78 HydrophobicContact CG2-CE2 4.37Å; I14-Y78 WeakPolarHBondContact CG2-OH 3.44Å; I14-L85 PolarHBondContact N-O 3.26Å; I14-L86 HydrophobicContact CD1-CD1 4.02Å; I14-L86 HydrophobicContact CG1-CB 4.37Å; I14-L86 HydrophobicContact CG1-CD1 3.89Å; I14-V87 PolarHBondContact O-N 3.07Å; I14-W102 HydrophobicContact CB-CE3 4.32Å; I14-A106 HydrophobicContact CD1-CB 3.77Å
15	G	96.9	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.086	C	C	.	.			trans	136.9	171.1	-175	0	0	0	0	0	112.4	K21 G66 V87 W102	G15-K21 WeakPolarHBondContact O-CE 3.19Å; G15-K21 PolarHBondContact O-NZ 3.35Å; G15-G66 WeakPolarHBondContact O-CA 3.38Å; G15-V87 WeakPolarHBondContact CA-O 3.48Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 WeakPolarHBondContact O-CZ2 3.33Å
16	S	95.6	Very high	96.1	Very high	20 Å²	20	14 Å²	14	14%	0.14	9%	0.092	C	C	.	.			trans	-61.5	159.8	-173.8	-62.5	0	0	0	0	113.5	A19 K21 A98 W102	S16-A19 WeakPolarHBondContact O-CB 3.42Å; S16-A19 PolarHBondContact O-N 2.99Å; S16-K21 PolarHBondContact O-NZ 3.26Å; S16-A98 WeakPolarHBondContact OG-CB 3.28Å; S16-W102 PolarHBondContact OG-NE1 3.09Å
17	A	93.9	Very high	96.4	Very high	38 Å²	38	13.7 Å²	13.7	31%	0.314	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	144.8	172.2	0	0	0	0	0	110.1	A19 G66 Q67	A17-A19 PolarHBondContact O-N 2.94Å; A17-G66 PolarHBondContact N-O 3.05Å; A17-G66 VanDerWaalsContact N-O 3.07Å; A17-Q67 HydrophobicContact CB-CG 3.79Å
18	G	93.5	Very high	96.5	Very high	45 Å²	45	13.3 Å²	13.3	46%	0.464	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-8.7	179.3	0	0	0	0	0	116	G20 K122	G18-G20 PolarHBondContact O-N 3.21Å; G18-G20 VanDerWaalsContact O-N 3.13Å; G18-K122 VanDerWaalsContact O-CE 3.31Å; G18-K122 WeakPolarHBondContact O-CE 3.4Å; G18-K122 PolarHBondContact O-NZ 3Å; G18-K122 VanDerWaalsContact O-NZ 3.09Å
19	A	96.4	Very high	96.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-68.6	-7.7	177.6	0	0	0	0	0	114.7	S16 A17 V87 N121	S16-A19 WeakPolarHBondContact O-CB 3.42Å; S16-A19 PolarHBondContact O-N 2.99Å; A17-A19 PolarHBondContact O-N 2.94Å; A19-V87 HydrophobicContact CB-CG1 4.15Å; A19-N121 PolarHBondContact O-ND2 3.29Å
20	G	96.4	Very high	96.4	Very high	14 Å²	14	20.4 Å²	20.4	14%	0.144	12%	0.123	C	C	.	.			trans	87.5	23.2	175.7	0	0	0	0	0	115.7	G18 S22 C23 L24	G18-G20 PolarHBondContact O-N 3.21Å; G18-G20 VanDerWaalsContact O-N 3.13Å; G20-S22 PolarHBondContact O-N 3.27Å; G20-C23 PolarHBondContact O-N 3.35Å; G20-L24 WeakPolarHBondContact O-CG 3.22Å; G20-L24 PolarHBondContact O-N 2.81Å
21	K	96.8	Very high	96.2	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.035	15%	0.149	C	C	.	.	H	α-helix	trans	-54.5	-51.5	178.1	-60.3	-171.9	-57.9	-69	0	113.7	V13 G15 S16 C23 L24 L25 D63 T64 V87	V13-K21 HydrophobicContact CB-CB 4.45Å; V13-K21 HydrophobicContact CG1-CB 3.61Å; V13-K21 HydrophobicContact CG1-CD 4.17Å; V13-K21 HydrophobicContact CG1-CG 3.85Å; G15-K21 WeakPolarHBondContact O-CE 3.19Å; G15-K21 PolarHBondContact O-NZ 3.35Å; S16-K21 PolarHBondContact O-NZ 3.26Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 2.55Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 3.05Å; K21-L25 PolarHBondContact O-N 3.06Å; K21-D63 WeakPolarHBondContact CB-OD1 3.47Å; K21-T64 WeakPolarHBondContact CE-O 3.4Å; K21-V87 HydrophobicContact CG-CB 4Å; K21-V87 HydrophobicContact CG-CG1 4.45Å; K21-V87 HydrophobicContact CG-CG2 4.12Å
22	S	96	Very high	95.8	Very high	15 Å²	15	31.6 Å²	31.6	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-36.4	178.6	-40.2	0	0	0	0	111.9	G20 L25 H26 T40 D63	G20-S22 PolarHBondContact O-N 3.27Å; S22-L25 PolarHBondContact O-N 2.82Å; S22-H26 VanDerWaalsContact O-CB 3.29Å; S22-H26 WeakPolarHBondContact O-CB 3.39Å; S22-H26 PolarHBondContact O-N 3.11Å; S22-T40 PolarHBondContact OG-OG1 2.94Å; S22-D63 WeakPolarHBondContact CA-OD2 3.48Å; S22-D63 VanDerWaalsContact CB-OD2 3.25Å; S22-D63 WeakPolarHBondContact CB-OD2 3.23Å; S22-D63 PolarHBondContact OG-OD2 3.27Å
23	C	96.7	Very high	95.4	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.054	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-38.9	175.8	-56.9	0	0	0	0	111.6	G20 K21 H26 Q27 F33 A152	G20-C23 PolarHBondContact O-N 3.35Å; K21-C23 VanDerWaalsContact C-N 3.3Å; K21-C23 PolarHBondContact O-N 2.55Å; C23-H26 PolarHBondContact O-N 2.67Å; C23-Q27 WeakPolarHBondContact O-CB 3.1Å; C23-Q27 PolarHBondContact O-N 3.22Å; C23-F33 HydrophobicContact CB-CD2 4.28Å; C23-F33 HydrophobicContact CB-CE2 3.89Å; C23-A152 HydrophobicContact CB-CB 3.7Å
24	L	97.4	Very high	94.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-45.2	173	-75.6	171.9	0	0	0	111.6	G20 K21 Q27 F28 V87 N121 A152 V158	G20-L24 WeakPolarHBondContact O-CG 3.22Å; G20-L24 PolarHBondContact O-N 2.81Å; K21-L24 WeakPolarHBondContact O-CB 3.45Å; K21-L24 PolarHBondContact O-N 3.05Å; L24-Q27 PolarHBondContact O-N 3.24Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.5Å; L24-F28 PolarHBondContact O-N 3.35Å; L24-V87 HydrophobicContact CD1-CG1 3.72Å; L24-V87 HydrophobicContact CD1-CG2 3.89Å; L24-N121 HydrophobicContact CD1-CB 4.28Å; L24-A152 HydrophobicContact CD2-CB 3.91Å; L24-A152 HydrophobicContact CG-CB 4.13Å; L24-V158 HydrophobicContact CD2-CB 4.37Å; L24-V158 HydrophobicContact CD2-CG1 4.11Å; L24-V158 HydrophobicContact CD2-CG2 3.62Å
25	L	96.9	Very high	94	Very high	10 Å²	10	46 Å²	46	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-47	176.3	178.2	59.1	0	0	0	111.2	K21 S22 F28 I29 I61 D63	K21-L25 PolarHBondContact O-N 3.06Å; S22-L25 PolarHBondContact O-N 2.82Å; L25-F28 PolarHBondContact O-N 3.1Å; L25-I29 HydrophobicContact CD1-CD1 3.5Å; L25-I29 VanDerWaalsContact CD1-CD1 3.5Å; L25-I29 HydrophobicContact CD1-CG1 4.08Å; L25-I29 HydrophobicContact CG-CD1 3.93Å; L25-I29 WeakPolarHBondContact O-CG1 3.23Å; L25-I29 PolarHBondContact O-N 2.99Å; L25-I61 HydrophobicContact CD1-CB 3.77Å; L25-I61 HydrophobicContact CD1-CD1 3.8Å; L25-I61 HydrophobicContact CD1-CG1 4.41Å; L25-I61 HydrophobicContact CD1-CG2 3.62Å; L25-D63 HydrophobicContact CD2-CB 3.59Å
26	H	96.1	Very high	93.1	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-43.1	-180	-167.1	-82.4	0	0	0	111.9	S22 C23 F28 I29 E30 K32 K34	S22-H26 VanDerWaalsContact O-CB 3.29Å; S22-H26 WeakPolarHBondContact O-CB 3.39Å; S22-H26 PolarHBondContact O-N 3.11Å; C23-H26 PolarHBondContact O-N 2.67Å; H26-F28 VanDerWaalsContact C-N 3.27Å; H26-F28 PolarHBondContact O-N 2.82Å; H26-I29 PolarHBondContact O-N 3.22Å; H26-E30 WeakPolarHBondContact O-CB 3.13Å; H26-E30 PolarHBondContact O-N 3.34Å; H26-K32 PolarHBondContact ND1-O 3.32Å; H26-K34 HydrophobicContact CB-CB 4.21Å; H26-K34 HydrophobicContact CB-CD 4.47Å
27	Q	97.4	Very high	92.2	Very high	13 Å²	13	54.5 Å²	54.5	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-39.7	174.3	-175.4	67.2	4.8	0	0	110.9	C23 L24 N31 K32 A152 G155 V158	C23-Q27 WeakPolarHBondContact O-CB 3.1Å; C23-Q27 PolarHBondContact O-N 3.22Å; L24-Q27 PolarHBondContact O-N 3.24Å; Q27-N31 WeakPolarHBondContact O-CA 3.47Å; Q27-N31 PolarHBondContact O-N 2.86Å; Q27-K32 VanDerWaalsContact OE1-CA 3.24Å; Q27-K32 VanDerWaalsContact OE1-N 3.13Å; Q27-K32 PolarHBondContact OE1-O 2.76Å; Q27-A152 VanDerWaalsContact CD-O 3.32Å; Q27-A152 WeakPolarHBondContact CG-O 3.44Å; Q27-A152 PolarHBondContact OE1-O 2.82Å; Q27-G155 VanDerWaalsContact NE2-CA 3.28Å; Q27-V158 HydrophobicContact CB-CG1 4.09Å; Q27-V158 HydrophobicContact CG-CB 4.26Å; Q27-V158 HydrophobicContact CG-CG1 4.03Å; Q27-V158 HydrophobicContact CG-CG2 4.05Å
28	F	97.6	Very high	91.6	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-68.4	-37	177	178.4	-111.8	0	0	0	113.1	L24 L25 H26 R48 V50 L59 I61 V158 E159 F162	L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.5Å; L24-F28 PolarHBondContact O-N 3.35Å; L25-F28 PolarHBondContact O-N 3.1Å; H26-F28 VanDerWaalsContact C-N 3.27Å; H26-F28 PolarHBondContact O-N 2.82Å; F28-R48 HydrophobicContact CD1-CB 4.48Å; F28-R48 HydrophobicContact CE1-CB 3.8Å; F28-R48 HydrophobicContact CE1-CG 4.28Å; F28-R48 HydrophobicContact CZ-CB 4.35Å; F28-R48 HydrophobicContact CZ-CG 4.4Å; F28-R48 VanDerWaalsContact O-CD 3.24Å; F28-R48 WeakPolarHBondContact O-CD 2.77Å; F28-R48 PolarHBondContact O-NH1 3.26Å; F28-V50 HydrophobicContact CZ-CG1 3.89Å; F28-L59 HydrophobicContact CE1-CD1 4.13Å; F28-L59 HydrophobicContact CZ-CD1 3.94Å; F28-I61 HydrophobicContact CD1-CD1 3.67Å; F28-I61 HydrophobicContact CE1-CD1 3.6Å; F28-V158 HydrophobicContact CB-CG1 3.96Å; F28-E159 HydrophobicContact CD2-CB 4.46Å; F28-E159 HydrophobicContact CE2-CG 4.27Å; F28-F162 HydrophobicContact CB-CD2 3.78Å; F28-F162 HydrophobicContact CB-CE2 3.52Å; F28-F162 HydrophobicContact CB-CZ 4.23Å; F28-F162 HydrophobicContact CD1-CD1 4.21Å; F28-F162 AromaticContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CE1 4.37Å; F28-F162 HydrophobicContact CD1-CE2 4.07Å; F28-F162 AromaticContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD1-CZ 4.3Å; F28-F162 HydrophobicContact CD2-CB 4.04Å; F28-F162 AromaticContact CD2-CD2 3.43Å; F28-F162 HydrophobicContact CD2-CD2 3.43Å; F28-F162 VanDerWaalsContact CD2-CD2 3.43Å; F28-F162 HydrophobicContact CD2-CE2 4.11Å; F28-F162 AromaticContact CD2-CG 3.89Å; F28-F162 HydrophobicContact CD2-CG 3.89Å; F28-F162 HydrophobicContact CE1-CB 4.21Å; F28-F162 HydrophobicContact CE1-CD1 4.22Å; F28-F162 HydrophobicContact CE1-CD2 4.34Å; F28-F162 HydrophobicContact CE1-CG 4Å; F28-F162 HydrophobicContact CE2-CB 3.6Å; F28-F162 AromaticContact CE2-CD2 3.93Å; F28-F162 HydrophobicContact CE2-CD2 3.93Å; F28-F162 AromaticContact CE2-CG 3.92Å; F28-F162 HydrophobicContact CE2-CG 3.92Å; F28-F162 AromaticContact CG-CD2 3.39Å; F28-F162 HydrophobicContact CG-CD2 3.39Å; F28-F162 AromaticContact CG-CE2 3.63Å; F28-F162 HydrophobicContact CG-CE2 3.63Å; F28-F162 AromaticContact CG-CG 3.91Å; F28-F162 HydrophobicContact CG-CG 3.91Å; F28-F162 HydrophobicContact CG-CZ 4.29Å; F28-F162 HydrophobicContact CZ-CB 3.69Å; F28-F162 HydrophobicContact CZ-CD2 4.35Å; F28-F162 AromaticContact CZ-CG 3.96Å; F28-F162 HydrophobicContact CZ-CG 3.96Å
29	I	95.6	Very high	91.2	Very high	49 Å²	49	63.5 Å²	63.5	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-84.1	-48.1	-177.2	-66.6	174.5	0	0	0	111.6	L25 H26 G46	L25-I29 HydrophobicContact CD1-CD1 3.5Å; L25-I29 VanDerWaalsContact CD1-CD1 3.5Å; L25-I29 HydrophobicContact CD1-CG1 4.08Å; L25-I29 HydrophobicContact CG-CD1 3.93Å; L25-I29 WeakPolarHBondContact O-CG1 3.23Å; L25-I29 PolarHBondContact O-N 2.99Å; H26-I29 PolarHBondContact O-N 3.22Å; I29-G46 VanDerWaalsContact CD1-CA 3.47Å
30	E	93.8	Very high	90.4	Very high	107 Å²	107	64 Å²	64	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-102	-5.8	-168.9	-61.3	-63.2	153.6	0	0	113.3	H26 K32	H26-E30 WeakPolarHBondContact O-CB 3.13Å; H26-E30 PolarHBondContact O-N 3.34Å; E30-K32 HydrophobicContact CB-CB 4.35Å; E30-K32 WeakPolarHBondContact O-CG 3.33Å; E30-K32 PolarHBondContact O-N 3.47Å
31	N	93.1	Very high	89.7	Confident	130 Å²	130	69.7 Å²	69.7	70%	0.695	35%	0.348	S	S	*	.	S	Bend	trans	51.9	35.9	-172.1	-160.3	27.1	0	0	0	112.7	Q27	Q27-N31 WeakPolarHBondContact O-CA 3.47Å; Q27-N31 PolarHBondContact O-N 2.86Å
32	K	90.5	Very high	88.9	Confident	140 Å²	140	69.8 Å²	69.8	61%	0.609	35%	0.351	S	S	*	.	S	Bend	trans	-143.7	137.1	-176.3	-72.6	176.6	-174.6	173.4	0	111.6	H26 Q27 E30	H26-K32 PolarHBondContact ND1-O 3.32Å; Q27-K32 VanDerWaalsContact OE1-CA 3.24Å; Q27-K32 VanDerWaalsContact OE1-N 3.13Å; Q27-K32 PolarHBondContact OE1-O 2.76Å; E30-K32 HydrophobicContact CB-CB 4.35Å; E30-K32 WeakPolarHBondContact O-CG 3.33Å; E30-K32 PolarHBondContact O-N 3.47Å
33	F	89.2	Confident	88.4	Confident	78 Å²	78	70.6 Å²	70.6	34%	0.342	36%	0.355	S	S	.	.			trans	-73.3	134.5	174.8	-177.8	-112.5	0	0	0	110.6	C23 Q35 A152 L153	C23-F33 HydrophobicContact CB-CD2 4.28Å; C23-F33 HydrophobicContact CB-CE2 3.89Å; F33-Q35 HydrophobicContact CD1-CG 3.79Å; F33-Q35 HydrophobicContact CE1-CG 4.02Å; F33-Q35 PolarHBondContact O-N 3.06Å; F33-A152 HydrophobicContact CD2-CB 4.27Å; F33-A152 WeakPolarHBondContact CD2-O 3.5Å; F33-A152 HydrophobicContact CE2-CB 4.27Å; F33-L153 HydrophobicContact CB-CD1 4.26Å; F33-L153 HydrophobicContact CD1-CD1 3.54Å; F33-L153 HydrophobicContact CD2-CB 4.28Å; F33-L153 HydrophobicContact CD2-CD1 4.3Å; F33-L153 HydrophobicContact CE1-CD1 3.87Å; F33-L153 HydrophobicContact CE2-CB 4.37Å; F33-L153 HydrophobicContact CG-CD1 3.77Å; F33-L153 HydrophobicContact CZ-CD1 4.37Å
34	K	86.2	Confident	88.1	Confident	63 Å²	63	74.2 Å²	74.2	27%	0.274	37%	0.371	S	S	.	.			trans	-91.9	96.8	176	-172.2	176.9	-177.4	179.7	0	108.8	H26	H26-K34 HydrophobicContact CB-CB 4.21Å; H26-K34 HydrophobicContact CB-CD 4.47Å
35	Q	78.6	Confident	87.9	Confident	162 Å²	162	79.4 Å²	79.4	76%	0.757	39%	0.394	S	S	*	.	S	Bend	trans	-63.1	-45.7	-178.7	-75	-179.9	-21.7	0	0	112.4	F33 S37	F33-Q35 HydrophobicContact CD1-CG 3.79Å; F33-Q35 HydrophobicContact CE1-CG 4.02Å; F33-Q35 PolarHBondContact O-N 3.06Å; Q35-S37 PolarHBondContact O-N 3.38Å
36	D	77.3	Confident	87.8	Confident	143 Å²	143	79.3 Å²	79.3	77%	0.765	40%	0.396	S	S	*	.	S	Bend	trans	-95.7	64.1	-177.9	-59.8	-43.3	0	0	0	111.8	N38	D36-N38 PolarHBondContact O-N 2.63Å
37	S	76.6	Confident	87.9	Confident	56 Å²	56	78.8 Å²	78.8	39%	0.392	40%	0.399	S	S	.	.			trans	-83.5	100.3	175.5	72	0	0	0	0	111.2	Q35	Q35-S37 PolarHBondContact O-N 3.38Å
38	N	82.6	Confident	87.8	Confident	147 Å²	147	81.9 Å²	81.9	79%	0.786	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.8	159.9	165.1	-71.3	-33.8	0	0	0	111.1	D36 T40	D36-N38 PolarHBondContact O-N 2.63Å; N38-T40 PolarHBondContact O-N 2.86Å
39	H	84.1	Confident	87.7	Confident	124 Å²	124	83.8 Å²	83.8	57%	0.574	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-60.7	127.2	172.5	-67.3	-52.1	0	0	0	111.3	I41	H39-I41 PolarHBondContact O-N 3.28Å
40	T	80.4	Confident	87.7	Confident	12 Å²	12	81.8 Å²	81.8	7%	0.074	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-61.2	126.9	174.1	-39.5	0	0	0	0	110.6	S22 N38 E44 D63 A65	S22-T40 PolarHBondContact OG-OG1 2.94Å; N38-T40 PolarHBondContact O-N 2.86Å; T40-E44 HydrophobicContact CG2-CG 4.03Å; T40-D63 PolarHBondContact OG1-OD2 2.92Å; T40-A65 VanDerWaalsContact O-CB 3.23Å; T40-A65 WeakPolarHBondContact O-CB 3.42Å
41	I	80.5	Confident	87.8	Confident	133 Å²	133	82 Å²	82	68%	0.682	42%	0.416	S	S	*	.			trans	-102.3	115.4	172.4	-58.7	176.6	0	0	0	107.5	H39 V43 F70	H39-I41 PolarHBondContact O-N 3.28Å; I41-V43 PolarHBondContact O-N 2.86Å; I41-F70 HydrophobicContact CG1-CZ 4.48Å; I41-F70 HydrophobicContact CG2-CE1 4.13Å; I41-F70 HydrophobicContact CG2-CZ 4.14Å
42	G	80.8	Confident	87.9	Confident	9 Å²	9	75.9 Å²	75.9	9%	0.093	38%	0.384	C	S	.	.	S	Bend	trans	76.1	-110.9	-176.1	0	0	0	0	0	112.3	A65 T74	G42-A65 VanDerWaalsContact O-CB 3.24Å; G42-A65 WeakPolarHBondContact O-CB 3.36Å; G42-A65 PolarHBondContact O-N 3.12Å; G42-T74 WeakPolarHBondContact O-CG2 3.18Å
43	V	85.8	Confident	87.7	Confident	32 Å²	32	72.6 Å²	72.6	19%	0.194	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.8	-174	177.8	0	0	0	0	110.7	I41 W62 D63 T64 T74 Y77	I41-V43 PolarHBondContact O-N 2.86Å; V43-W62 HydrophobicContact CG1-CB 3.85Å; V43-W62 HydrophobicContact CG1-CG 4.22Å; V43-D63 CarbonylContact C-O 3.58Å; V43-D63 VanDerWaalsContact CA-O 3.23Å; V43-D63 WeakPolarHBondContact CA-O 3.09Å; V43-D63 WeakPolarHBondContact CG1-O 3.48Å; V43-T64 HydrophobicContact CG2-CG2 4.34Å; V43-T74 HydrophobicContact CG2-CG2 4.01Å; V43-Y77 HydrophobicContact CB-CD2 4.34Å; V43-Y77 HydrophobicContact CB-CE1 4.39Å; V43-Y77 HydrophobicContact CB-CE2 4.08Å; V43-Y77 HydrophobicContact CG1-CD1 4.2Å; V43-Y77 HydrophobicContact CG1-CE1 4.22Å; V43-Y77 HydrophobicContact CG1-CG 4.37Å; V43-Y77 HydrophobicContact CG2-CD1 4.48Å; V43-Y77 HydrophobicContact CG2-CD2 3.5Å; V43-Y77 HydrophobicContact CG2-CE2 3.57Å; V43-Y77 HydrophobicContact CG2-CG 3.97Å
44	E	90.3	Very high	87.8	Confident	84 Å²	84	71.8 Å²	71.8	39%	0.393	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.7	168.6	-76	-178.2	-167.3	0	0	110.2	T40 W62 D63	T40-E44 HydrophobicContact CG2-CG 4.03Å; E44-W62 CarbonylContact O-C 3.6Å; E44-W62 WeakPolarHBondContact O-CA 3.31Å; E44-D63 HydrophobicContact CB-CB 4.26Å; E44-D63 PolarHBondContact N-O 3.45Å; E44-D63 PolarHBondContact O-N 3.09Å
45	F	93.6	Very high	88.1	Confident	112 Å²	112	72.3 Å²	72.3	49%	0.491	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135	-179.8	174.5	-95.5	0	0	0	110.9	Q60 I61 W62	F45-Q60 HydrophobicContact CE2-CB 3.85Å; F45-Q60 HydrophobicContact CE2-CG 4.1Å; F45-Q60 HydrophobicContact CZ-CB 4.2Å; F45-Q60 HydrophobicContact CZ-CG 4Å; F45-I61 WeakPolarHBondContact CA-O 3.43Å; F45-W62 HydrophobicContact CD2-CD2 4.15Å; F45-W62 AromaticContact CD2-CE2 3.87Å; F45-W62 HydrophobicContact CD2-CZ2 4.12Å; F45-W62 HydrophobicContact CE2-CH2 4.06Å; F45-W62 AromaticContact CE2-CZ2 3.92Å; F45-W62 HydrophobicContact CE2-CZ2 3.92Å; F45-W62 HydrophobicContact CE2-CZ3 4.34Å
46	G	95.1	Very high	88.9	Confident	8 Å²	8	66.6 Å²	66.6	8%	0.082	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.8	170.4	0	0	0	0	0	111.5	I29 I61	I29-G46 VanDerWaalsContact CD1-CA 3.47Å; G46-I61 PolarHBondContact N-O 2.98Å; G46-I61 PolarHBondContact O-N 3.33Å
47	S	96.2	Very high	89.8	Confident	50 Å²	50	59.8 Å²	59.8	35%	0.35	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141.9	172.8	69.4	0	0	0	0	112.1	L59	S47-L59 CarbonylContact C-O 3.54Å; S47-L59 WeakPolarHBondContact CA-O 3.38Å; S47-L59 WeakPolarHBondContact CB-O 3.27Å
48	R	95.7	Very high	90.8	Very high	79 Å²	79	59.7 Å²	59.7	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.7	175.6	-173.6	171	174.1	-152.8	-11.6	109.7	F28 V50 L59 E159	F28-R48 HydrophobicContact CD1-CB 4.48Å; F28-R48 HydrophobicContact CE1-CB 3.8Å; F28-R48 HydrophobicContact CE1-CG 4.28Å; F28-R48 HydrophobicContact CZ-CB 4.35Å; F28-R48 HydrophobicContact CZ-CG 4.4Å; F28-R48 VanDerWaalsContact O-CD 3.24Å; F28-R48 WeakPolarHBondContact O-CD 2.77Å; F28-R48 PolarHBondContact O-NH1 3.26Å; R48-V50 HydrophobicContact CG-CG1 4.18Å; R48-L59 PolarHBondContact N-O 3.46Å; R48-L59 PolarHBondContact O-N 2.77Å; R48-E159 IonicContact CZ-OE1 2.68Å; R48-E159 IonicContact NH1-OE1 3.11Å; R48-E159 PolarHBondContact NH1-OE1 3.05Å; R48-E159 IonicContact NH2-OE1 3.52Å; R48-E159 PolarHBondContact NH2-OE1 3.36Å
49	V	96.2	Very high	91.5	Very high	41 Å²	41	52.7 Å²	52.7	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.8	171.7	177.9	0	0	0	0	108.9	E3 T56 V57 K58	E3-V49 HydrophobicContact CB-CG2 4.39Å; E3-V49 WeakPolarHBondContact OE2-CG2 3.44Å; V49-T56 HydrophobicContact CG1-CG2 3.34Å; V49-V57 CarbonylContact C-O 3.58Å; V49-V57 WeakPolarHBondContact CA-O 3.31Å; V49-K58 HydrophobicContact CG2-CB 4.02Å; V49-K58 HydrophobicContact CG2-CD 4.36Å; V49-K58 HydrophobicContact CG2-CG 3.96Å
50	V	96	Very high	92.1	Very high	8 Å²	8	49 Å²	49	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.5	-175.4	-66.2	0	0	0	0	113	F28 R48 V52 V57 L59 L163	F28-V50 HydrophobicContact CZ-CG1 3.89Å; R48-V50 HydrophobicContact CG-CG1 4.18Å; V50-V52 HydrophobicContact CB-CG2 4.41Å; V50-V52 HydrophobicContact CG2-CG2 3.83Å; V50-V57 HydrophobicContact CG2-CB 4.19Å; V50-V57 WeakPolarHBondContact CG2-O 3.13Å; V50-V57 PolarHBondContact N-O 3.01Å; V50-V57 PolarHBondContact O-N 2.83Å; V50-L59 HydrophobicContact CG2-CD1 3.96Å; V50-L59 HydrophobicContact CG2-CG 3.95Å; V50-L163 HydrophobicContact CB-CD2 3.75Å; V50-L163 HydrophobicContact CG1-CD2 3.91Å; V50-L163 HydrophobicContact CG2-CD2 3.97Å
51	N	95.4	Very high	92.9	Very high	111 Å²	111	48.4 Å²	48.4	59%	0.594	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	99	166.9	168.8	44.5	0	0	0	114.1	G54 K55	N51-G54 WeakPolarHBondContact OD1-CA 3.25Å; N51-G54 PolarHBondContact OD1-N 3.15Å; N51-K55 WeakPolarHBondContact CB-O 3.5Å
52	V	94.5	Very high	93.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113	176	-170.7	0	0	0	0	111.6	V50 G54 K55 L163 A166 R167 L170	V50-V52 HydrophobicContact CB-CG2 4.41Å; V50-V52 HydrophobicContact CG2-CG2 3.83Å; V52-G54 PolarHBondContact O-N 3.21Å; V52-K55 PolarHBondContact N-O 3.27Å; V52-K55 WeakPolarHBondContact O-CB 3.47Å; V52-K55 PolarHBondContact O-N 3.47Å; V52-L163 HydrophobicContact CG2-CD2 3.87Å; V52-A166 HydrophobicContact CG2-CB 4.14Å; V52-R167 HydrophobicContact CG1-CB 3.68Å; V52-R167 HydrophobicContact CG1-CG 4.2Å; V52-L170 HydrophobicContact CB-CD1 3.86Å; V52-L170 HydrophobicContact CG1-CD1 3.75Å
53	G	87.4	Confident	94.3	Very high	70 Å²	70	43.3 Å²	43.3	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	30.1	176.4	0	0	0	0	0	113.4	K55	G53-K55 PolarHBondContact O-N 3.17Å
54	G	89.8	Confident	94.6	Very high	62 Å²	62	41.8 Å²	41.8	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	1.8	-175	0	0	0	0	0	114.3	N51 V52	N51-G54 WeakPolarHBondContact OD1-CA 3.25Å; N51-G54 PolarHBondContact OD1-N 3.15Å; V52-G54 PolarHBondContact O-N 3.21Å
55	K	92.8	Very high	94.5	Very high	74 Å²	74	37.8 Å²	37.8	32%	0.322	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.1	172.3	-60.2	-67.8	-172.5	172.3	0	110.1	D6 F7 N51 V52 G53 V57 L170	D6-K55 HydrophobicContact CB-CD 4.37Å; D6-K55 WeakPolarHBondContact OD2-CA 3.32Å; F7-K55 HydrophobicContact CE2-CD 4.25Å; F7-K55 HydrophobicContact CE2-CG 4.38Å; N51-K55 WeakPolarHBondContact CB-O 3.5Å; V52-K55 PolarHBondContact N-O 3.27Å; V52-K55 WeakPolarHBondContact O-CB 3.47Å; V52-K55 PolarHBondContact O-N 3.47Å; G53-K55 PolarHBondContact O-N 3.17Å; K55-V57 HydrophobicContact CB-CG2 4.4Å; K55-L170 HydrophobicContact CB-CD1 4.32Å
56	T	95.6	Very high	93.9	Very high	41 Å²	41	33 Å²	33	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.8	173.2	-55.4	0	0	0	0	108.9	D6 F7 V49	D6-T56 WeakPolarHBondContact CB-O 3.27Å; D6-T56 PolarHBondContact N-O 2.94Å; D6-T56 PolarHBondContact OD2-N 2.91Å; F7-T56 PolarHBondContact N-O 3.39Å; V49-T56 HydrophobicContact CG1-CG2 3.34Å
57	V	96.5	Very high	93.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	-176.4	-176.2	0	0	0	0	109.8	F7 F9 V49 V50 K55 L59 L170	F7-V57 HydrophobicContact CB-CG1 4.37Å; F7-V57 HydrophobicContact CB-CG2 4.41Å; F7-V57 CarbonylContact O-C 3.33Å; F7-V57 WeakPolarHBondContact O-CA 3.46Å; F9-V57 HydrophobicContact CD1-CG1 4.47Å; F9-V57 HydrophobicContact CD2-CG1 3.37Å; F9-V57 HydrophobicContact CE2-CG1 3.54Å; F9-V57 HydrophobicContact CE2-CG2 4.26Å; F9-V57 HydrophobicContact CG-CG1 3.87Å; F9-V57 HydrophobicContact CZ-CG1 4.17Å; V49-V57 CarbonylContact C-O 3.58Å; V49-V57 WeakPolarHBondContact CA-O 3.31Å; V50-V57 HydrophobicContact CG2-CB 4.19Å; V50-V57 WeakPolarHBondContact CG2-O 3.13Å; V50-V57 PolarHBondContact N-O 3.01Å; V50-V57 PolarHBondContact O-N 2.83Å; K55-V57 HydrophobicContact CB-CG2 4.4Å; V57-L59 HydrophobicContact CG1-CD2 3.76Å; V57-L170 HydrophobicContact CG2-CD1 4Å; V57-L170 HydrophobicContact CG2-CD2 4.49Å
58	K	96.9	Very high	92.1	Very high	54 Å²	54	39.5 Å²	39.5	24%	0.235	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.7	168.9	-173.8	169.5	-175.4	171	0	109.6	Y5 F7 L8 F9 V49	Y5-K58 HydrophobicContact CD1-CB 3.85Å; Y5-K58 HydrophobicContact CD1-CD 3.85Å; Y5-K58 HydrophobicContact CD1-CG 4.48Å; Y5-K58 HydrophobicContact CD2-CB 4.04Å; Y5-K58 HydrophobicContact CE1-CB 4.28Å; Y5-K58 HydrophobicContact CE1-CD 3.62Å; Y5-K58 HydrophobicContact CE2-CB 4.42Å; Y5-K58 HydrophobicContact CG-CB 3.73Å; F7-K58 PolarHBondContact O-N 3.25Å; L8-K58 VanDerWaalsContact CA-O 3.29Å; L8-K58 WeakPolarHBondContact CA-O 3.42Å; L8-K58 HydrophobicContact CB-CB 4.48Å; F9-K58 PolarHBondContact N-O 2.87Å; V49-K58 HydrophobicContact CG2-CB 4.02Å; V49-K58 HydrophobicContact CG2-CD 4.36Å; V49-K58 HydrophobicContact CG2-CG 3.96Å
59	L	97.8	Very high	91.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.4	171	-55.8	-177.3	0	0	0	108.8	F9 F11 F28 S47 R48 V50 V57 I61 F162 A166	F9-L59 HydrophobicContact CB-CD2 4.02Å; F9-L59 HydrophobicContact CD2-CD2 4Å; F9-L59 HydrophobicContact CG-CD2 4.47Å; F11-L59 HydrophobicContact CD1-CD2 4.41Å; F11-L59 HydrophobicContact CE1-CD2 3.97Å; F11-L59 HydrophobicContact CE2-CD1 4.23Å; F11-L59 HydrophobicContact CE2-CD2 4.19Å; F11-L59 HydrophobicContact CZ-CD2 3.86Å; F28-L59 HydrophobicContact CE1-CD1 4.13Å; F28-L59 HydrophobicContact CZ-CD1 3.94Å; S47-L59 CarbonylContact C-O 3.54Å; S47-L59 WeakPolarHBondContact CA-O 3.38Å; S47-L59 WeakPolarHBondContact CB-O 3.27Å; R48-L59 PolarHBondContact N-O 3.46Å; R48-L59 PolarHBondContact O-N 2.77Å; V50-L59 HydrophobicContact CG2-CD1 3.96Å; V50-L59 HydrophobicContact CG2-CG 3.95Å; V57-L59 HydrophobicContact CG1-CD2 3.76Å; L59-I61 HydrophobicContact CB-CD1 4.19Å; L59-I61 HydrophobicContact CB-CG1 4.08Å; L59-F162 HydrophobicContact CD1-CB 4.31Å; L59-A166 HydrophobicContact CD2-CB 4.12Å
60	Q	97.2	Very high	90.4	Very high	46 Å²	46	45 Å²	45	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.9	163.9	-71.3	-168.1	-41	0	0	107.1	L8 F9 F11 F45 W62	L8-Q60 HydrophobicContact CD1-CG 4.22Å; L8-Q60 HydrophobicContact CD2-CG 4.37Å; L8-Q60 HydrophobicContact CG-CG 4.19Å; F9-Q60 PolarHBondContact O-N 2.73Å; F11-Q60 PolarHBondContact N-O 3.47Å; F45-Q60 HydrophobicContact CE2-CB 3.85Å; F45-Q60 HydrophobicContact CE2-CG 4.1Å; F45-Q60 HydrophobicContact CZ-CB 4.2Å; F45-Q60 HydrophobicContact CZ-CG 4Å; Q60-W62 HydrophobicContact CB-CE3 4.2Å; Q60-W62 HydrophobicContact CB-CH2 3.39Å; Q60-W62 HydrophobicContact CB-CZ2 4.5Å; Q60-W62 HydrophobicContact CB-CZ3 3.18Å; Q60-W62 HydrophobicContact CG-CH2 4.29Å; Q60-W62 HydrophobicContact CG-CZ3 4.46Å; Q60-W62 WeakPolarHBondContact O-CZ3 3.41Å
61	I	97.9	Very high	89.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.5	-167.9	-50.8	163.8	0	0	0	108.8	F11 V13 L25 F28 F45 G46 L59 F162	F11-I61 HydrophobicContact CB-CB 4.45Å; F11-I61 HydrophobicContact CB-CG1 4.08Å; F11-I61 HydrophobicContact CB-CG2 4.31Å; F11-I61 WeakPolarHBondContact O-CA 3.35Å; V13-I61 HydrophobicContact CG2-CG2 3.62Å; L25-I61 HydrophobicContact CD1-CB 3.77Å; L25-I61 HydrophobicContact CD1-CD1 3.8Å; L25-I61 HydrophobicContact CD1-CG1 4.41Å; L25-I61 HydrophobicContact CD1-CG2 3.62Å; F28-I61 HydrophobicContact CD1-CD1 3.67Å; F28-I61 HydrophobicContact CE1-CD1 3.6Å; F45-I61 WeakPolarHBondContact CA-O 3.43Å; G46-I61 PolarHBondContact N-O 2.98Å; G46-I61 PolarHBondContact O-N 3.33Å; L59-I61 HydrophobicContact CB-CD1 4.19Å; L59-I61 HydrophobicContact CB-CG1 4.08Å; I61-F162 HydrophobicContact CD1-CD1 4Å; I61-F162 HydrophobicContact CD1-CE1 3.78Å; I61-F162 HydrophobicContact CG1-CE1 4.4Å; I61-F162 HydrophobicContact CG2-CE1 4.11Å
62	W	96.1	Very high	88.6	Confident	35 Å²	35	46 Å²	46	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.4	177.5	-70.1	-104.7	0	0	0	108.6	K10 F11 L12 V13 V43 E44 F45 Q60 Y77	K10-W62 HydrophobicContact CB-CH2 4.07Å; K10-W62 HydrophobicContact CB-CZ3 3.72Å; K10-W62 HydrophobicContact CD-CE3 4.23Å; K10-W62 HydrophobicContact CD-CH2 3.67Å; K10-W62 HydrophobicContact CD-CZ2 4.13Å; K10-W62 HydrophobicContact CD-CZ3 3.75Å; K10-W62 HydrophobicContact CG-CE3 3.76Å; K10-W62 HydrophobicContact CG-CH2 3.73Å; K10-W62 HydrophobicContact CG-CZ3 3.29Å; F11-W62 VanDerWaalsContact O-CE3 3.29Å; F11-W62 PolarHBondContact O-N 3.06Å; L12-W62 HydrophobicContact CD2-CB 3.96Å; V13-W62 PolarHBondContact N-O 3.23Å; V43-W62 HydrophobicContact CG1-CB 3.85Å; V43-W62 HydrophobicContact CG1-CG 4.22Å; E44-W62 CarbonylContact O-C 3.6Å; E44-W62 WeakPolarHBondContact O-CA 3.31Å; F45-W62 HydrophobicContact CD2-CD2 4.15Å; F45-W62 AromaticContact CD2-CE2 3.87Å; F45-W62 HydrophobicContact CD2-CZ2 4.12Å; F45-W62 HydrophobicContact CE2-CH2 4.06Å; F45-W62 AromaticContact CE2-CZ2 3.92Å; F45-W62 HydrophobicContact CE2-CZ2 3.92Å; F45-W62 HydrophobicContact CE2-CZ3 4.34Å; Q60-W62 HydrophobicContact CB-CE3 4.2Å; Q60-W62 HydrophobicContact CB-CH2 3.39Å; Q60-W62 HydrophobicContact CB-CZ2 4.5Å; Q60-W62 HydrophobicContact CB-CZ3 3.18Å; Q60-W62 HydrophobicContact CG-CH2 4.29Å; Q60-W62 HydrophobicContact CG-CZ3 4.46Å; Q60-W62 WeakPolarHBondContact O-CZ3 3.41Å; W62-Y77 AromaticContact CD1-CD1 3.3Å; W62-Y77 AromaticContact CD1-CE1 3.76Å; W62-Y77 HydrophobicContact CG-CD1 4.23Å; W62-Y77 AromaticContact NE1-CD1 3.63Å; W62-Y77 AromaticContact NE1-CE1 3.94Å
63	D	94.4	Very high	87.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.7	169.9	173.5	42.6	0	0	0	109.5	K21 S22 L25 T40 V43 E44	K21-D63 WeakPolarHBondContact CB-OD1 3.47Å; S22-D63 WeakPolarHBondContact CA-OD2 3.48Å; S22-D63 VanDerWaalsContact CB-OD2 3.25Å; S22-D63 WeakPolarHBondContact CB-OD2 3.23Å; S22-D63 PolarHBondContact OG-OD2 3.27Å; L25-D63 HydrophobicContact CD2-CB 3.59Å; T40-D63 PolarHBondContact OG1-OD2 2.92Å; V43-D63 CarbonylContact C-O 3.58Å; V43-D63 VanDerWaalsContact CA-O 3.23Å; V43-D63 WeakPolarHBondContact CA-O 3.09Å; V43-D63 WeakPolarHBondContact CG1-O 3.48Å; E44-D63 HydrophobicContact CB-CB 4.26Å; E44-D63 PolarHBondContact N-O 3.45Å; E44-D63 PolarHBondContact O-N 3.09Å
64	T	91.6	Very high	87.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.2	-172.9	62.6	0	0	0	0	112.2	V13 I14 K21 V43 G66 T74	V13-T64 PolarHBondContact O-N 3.1Å; V13-T64 VanDerWaalsContact O-N 3.17Å; V13-T64 PolarHBondContact O-OG1 2.85Å; I14-T64 HydrophobicContact CG2-CG2 4.26Å; K21-T64 WeakPolarHBondContact CE-O 3.4Å; V43-T64 HydrophobicContact CG2-CG2 4.34Å; T64-G66 PolarHBondContact O-N 2.9Å; T64-T74 HydrophobicContact CG2-CG2 4.43Å
65	A	87.4	Confident	87.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-59	126.3	169.7	0	0	0	0	0	110.7	T40 G42 F70 T74	T40-A65 VanDerWaalsContact O-CB 3.23Å; T40-A65 WeakPolarHBondContact O-CB 3.42Å; G42-A65 VanDerWaalsContact O-CB 3.24Å; G42-A65 WeakPolarHBondContact O-CB 3.36Å; G42-A65 PolarHBondContact O-N 3.12Å; A65-F70 HydrophobicContact CB-CB 3.74Å; A65-F70 HydrophobicContact CB-CD2 4.02Å; A65-F70 HydrophobicContact CB-CG 4.21Å; A65-T74 HydrophobicContact CB-CG2 4.19Å
66	G	81.1	Confident	86.9	Confident	11 Å²	11	49.7 Å²	49.7	11%	0.113	24%	0.244	C	C	.	.			trans	-87.3	-3.3	179.9	0	0	0	0	0	114.7	G15 A17 T64	G15-G66 WeakPolarHBondContact O-CA 3.38Å; A17-G66 PolarHBondContact N-O 3.05Å; A17-G66 VanDerWaalsContact N-O 3.07Å; T64-G66 PolarHBondContact O-N 2.9Å
67	Q	81.4	Confident	86.7	Confident	38 Å²	38	51.9 Å²	51.9	18%	0.178	25%	0.248	C	C	.	.	S	Bend	trans	-82.3	132.2	175.8	-61.9	-175.6	23.5	0	0	109.7	A17 R69 F70	A17-Q67 HydrophobicContact CB-CG 3.79Å; Q67-R69 PolarHBondContact O-N 2.81Å; Q67-R69 VanDerWaalsContact O-N 3.16Å; Q67-F70 HydrophobicContact CB-CD2 3.93Å; Q67-F70 HydrophobicContact CB-CE2 4.42Å; Q67-F70 PolarHBondContact O-N 3.41Å
68	E	72.8	Confident	86.5	Confident	157 Å²	157	52 Å²	52	73%	0.734	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-53.1	-34.8	177.6	66.5	-149.1	-175.5	0	0	114.2	F70 R71	E68-F70 PolarHBondContact O-N 3.09Å; E68-F70 VanDerWaalsContact O-N 3.14Å; E68-R71 WeakPolarHBondContact O-CB 3.24Å; E68-R71 PolarHBondContact O-N 3.02Å
69	R	77.3	Confident	86.2	Confident	184 Å²	184	57.9 Å²	57.9	69%	0.694	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.5	-21.5	178.6	-63.5	-175.7	-62.7	-178.6	-0.2	113.1	Q67	Q67-R69 PolarHBondContact O-N 2.81Å; Q67-R69 VanDerWaalsContact O-N 3.16Å
70	F	79.6	Confident	85.8	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.232	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-101.8	4.9	175.5	-59	-57.3	0	0	0	113.1	I41 A65 Q67 E68 S72 V73 T74	I41-F70 HydrophobicContact CG1-CZ 4.48Å; I41-F70 HydrophobicContact CG2-CE1 4.13Å; I41-F70 HydrophobicContact CG2-CZ 4.14Å; A65-F70 HydrophobicContact CB-CB 3.74Å; A65-F70 HydrophobicContact CB-CD2 4.02Å; A65-F70 HydrophobicContact CB-CG 4.21Å; Q67-F70 HydrophobicContact CB-CD2 3.93Å; Q67-F70 HydrophobicContact CB-CE2 4.42Å; Q67-F70 PolarHBondContact O-N 3.41Å; E68-F70 PolarHBondContact O-N 3.09Å; E68-F70 VanDerWaalsContact O-N 3.14Å; F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.64Å; F70-V73 WeakPolarHBondContact O-CB 3.38Å; F70-V73 PolarHBondContact O-N 3.01Å; F70-T74 PolarHBondContact O-N 2.98Å
71	R	75.3	Confident	85.7	Confident	47 Å²	47	56.3 Å²	56.3	18%	0.177	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-36.9	-176.5	-158.6	178.2	-169.6	112	0.1	112	E68 V73 T74 R75 N101 D105	E68-R71 WeakPolarHBondContact O-CB 3.24Å; E68-R71 PolarHBondContact O-N 3.02Å; R71-V73 VanDerWaalsContact C-N 3.29Å; R71-V73 PolarHBondContact O-N 2.92Å; R71-T74 PolarHBondContact O-N 3.47Å; R71-T74 PolarHBondContact O-OG1 3.36Å; R71-R75 WeakPolarHBondContact O-CG 3.39Å; R71-R75 PolarHBondContact O-N 3.47Å; R71-N101 PolarHBondContact NH2-O 2.91Å; R71-D105 IonicContact CZ-OD2 3.16Å; R71-D105 IonicContact NE-OD2 3.8Å; R71-D105 PolarHBondContact NE-OD2 3.31Å; R71-D105 VanDerWaalsContact NH2-CG 3.35Å; R71-D105 IonicContact NH2-OD2 3.87Å; R71-D105 PolarHBondContact NH2-OD2 3.11Å
72	S	76.8	Confident	85.6	Confident	92 Å²	92	56.5 Å²	56.5	64%	0.643	27%	0.267	S	S	*	.	H	α-helix	trans	-63.2	-34.1	175	56.2	0	0	0	0	113.2	F70	F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.64Å
73	V	79.4	Confident	85.7	Confident	71 Å²	71	54.8 Å²	54.8	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-71.8	-35.6	179.7	-177.3	0	0	0	0	111.2	F70 R71 S76	F70-V73 WeakPolarHBondContact O-CB 3.38Å; F70-V73 PolarHBondContact O-N 3.01Å; R71-V73 VanDerWaalsContact C-N 3.29Å; R71-V73 PolarHBondContact O-N 2.92Å; V73-S76 PolarHBondContact O-OG 3.14Å
74	T	82.5	Confident	85.9	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-81.2	-23.9	-175.9	56.6	0	0	0	0	113.2	G42 V43 T64 A65 F70 R71 S76 Y77 Y78	G42-T74 WeakPolarHBondContact O-CG2 3.18Å; V43-T74 HydrophobicContact CG2-CG2 4.01Å; T64-T74 HydrophobicContact CG2-CG2 4.43Å; A65-T74 HydrophobicContact CB-CG2 4.19Å; F70-T74 PolarHBondContact O-N 2.98Å; R71-T74 PolarHBondContact O-N 3.47Å; R71-T74 PolarHBondContact O-OG1 3.36Å; T74-S76 VanDerWaalsContact C-N 3.3Å; T74-S76 PolarHBondContact O-N 2.94Å; T74-Y77 WeakPolarHBondContact O-CB 3.4Å; T74-Y77 PolarHBondContact O-N 3.37Å; T74-Y78 WeakPolarHBondContact O-CD2 3.4Å
75	R	82.1	Confident	86.2	Confident	127 Å²	127	55 Å²	55	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-55.1	-38.5	-176.7	-78.6	-178.3	174.4	-180	-3.4	114.5	R71 Y77 Y78 L109	R71-R75 WeakPolarHBondContact O-CG 3.39Å; R71-R75 PolarHBondContact O-N 3.47Å; R75-Y77 PolarHBondContact O-N 2.77Å; R75-Y78 WeakPolarHBondContact O-CB 3.42Å; R75-Y78 PolarHBondContact O-N 3.09Å; R75-L109 HydrophobicContact CB-CD1 4.22Å; R75-L109 HydrophobicContact CG-CD1 3.66Å
76	S	86	Confident	86.7	Confident	87 Å²	87	55 Å²	55	61%	0.608	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-24.2	-179.7	57.5	0	0	0	0	112.9	V73 T74	V73-S76 PolarHBondContact O-OG 3.14Å; T74-S76 VanDerWaalsContact C-N 3.3Å; T74-S76 PolarHBondContact O-N 2.94Å
77	Y	90.2	Very high	87.6	Confident	86 Å²	86	54.4 Å²	54.4	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-81.1	-18.6	-179.4	-65.2	-88.1	0	0	0	113.2	K10 V43 W62 T74 R75 R79	K10-Y77 WeakPolarHBondContact CE-O 3.29Å; K10-Y77 PolarHBondContact NZ-O 3.32Å; V43-Y77 HydrophobicContact CB-CD2 4.34Å; V43-Y77 HydrophobicContact CB-CE1 4.39Å; V43-Y77 HydrophobicContact CB-CE2 4.08Å; V43-Y77 HydrophobicContact CG1-CD1 4.2Å; V43-Y77 HydrophobicContact CG1-CE1 4.22Å; V43-Y77 HydrophobicContact CG1-CG 4.37Å; V43-Y77 HydrophobicContact CG2-CD1 4.48Å; V43-Y77 HydrophobicContact CG2-CD2 3.5Å; V43-Y77 HydrophobicContact CG2-CE2 3.57Å; V43-Y77 HydrophobicContact CG2-CG 3.97Å; W62-Y77 AromaticContact CD1-CD1 3.3Å; W62-Y77 AromaticContact CD1-CE1 3.76Å; W62-Y77 HydrophobicContact CG-CD1 4.23Å; W62-Y77 AromaticContact NE1-CD1 3.63Å; W62-Y77 AromaticContact NE1-CE1 3.94Å; T74-Y77 WeakPolarHBondContact O-CB 3.4Å; T74-Y77 PolarHBondContact O-N 3.37Å; R75-Y77 PolarHBondContact O-N 2.77Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.2Å
78	Y	92.9	Very high	88.4	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-39.6	-179.9	-80.6	-119.1	0	0	0	111.8	L12 I14 T74 R75 G80 A81 D105 A106 L109 A110	L12-Y78 HydrophobicContact CD1-CD1 4.07Å; L12-Y78 HydrophobicContact CD1-CD2 4.31Å; L12-Y78 HydrophobicContact CD1-CE1 4.46Å; L12-Y78 HydrophobicContact CD1-CG 3.98Å; I14-Y78 HydrophobicContact CD1-CE1 4.46Å; I14-Y78 HydrophobicContact CG2-CE1 4.39Å; I14-Y78 HydrophobicContact CG2-CE2 4.37Å; I14-Y78 WeakPolarHBondContact CG2-OH 3.44Å; T74-Y78 WeakPolarHBondContact O-CD2 3.4Å; R75-Y78 WeakPolarHBondContact O-CB 3.42Å; R75-Y78 PolarHBondContact O-N 3.09Å; Y78-G80 PolarHBondContact O-N 3.49Å; Y78-A81 WeakPolarHBondContact O-CB 3.29Å; Y78-A81 PolarHBondContact O-N 2.94Å; Y78-D105 HydrophobicContact CE1-CB 4.09Å; Y78-A106 HydrophobicContact CE1-CB 4.26Å; Y78-L109 HydrophobicContact CD1-CB 3.91Å; Y78-L109 HydrophobicContact CD1-CD1 4.17Å; Y78-L109 HydrophobicContact CG-CB 3.93Å; Y78-L109 HydrophobicContact CG-CD1 4.17Å; Y78-A110 VanDerWaalsContact O-CA 3.26Å; Y78-A110 WeakPolarHBondContact O-CA 3.24Å; Y78-A110 WeakPolarHBondContact O-CB 3.39Å
79	R	91.1	Very high	89.6	Confident	179 Å²	179	45.5 Å²	45.5	68%	0.675	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	126.2	-176.3	-174.3	-179.8	176.6	99.4	-1.1	111	K10 Y77	K10-R79 PolarHBondContact NZ-O 2.89Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.2Å
80	G	88.5	Confident	90.6	Very high	10 Å²	10	36.7 Å²	36.7	10%	0.103	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	30.2	179.1	0	0	0	0	0	113.8	K10 Y78 G184 G186	K10-G80 VanDerWaalsContact CD-O 3.29Å; K10-G80 WeakPolarHBondContact CD-O 3.29Å; K10-G80 WeakPolarHBondContact CG-O 3.31Å; Y78-G80 PolarHBondContact O-N 3.49Å; G80-G184 WeakPolarHBondContact CA-O 3.39Å; G80-G186 WeakPolarHBondContact O-CA 3.19Å
81	A	95.5	Very high	91.6	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.176	C	C	.	.			trans	-83.8	129.6	163	0	0	0	0	0	110.8	K10 L12 Y78 A110 I114	K10-A81 HydrophobicContact CG-CB 4.31Å; L12-A81 HydrophobicContact CD1-CB 3.59Å; L12-A81 HydrophobicContact CD2-CB 4.33Å; L12-A81 HydrophobicContact CG-CB 3.63Å; Y78-A81 WeakPolarHBondContact O-CB 3.29Å; Y78-A81 PolarHBondContact O-N 2.94Å; A81-A110 HydrophobicContact CB-CB 4.16Å; A81-I114 HydrophobicContact CB-CD1 3.89Å
82	A	96.3	Very high	92.6	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	18%	0.178	C	C	.	.	S	Bend	trans	-84.2	-32.3	176.4	0	0	0	0	0	111.4	K10 V115 I169 S185 I187	K10-A82 PolarHBondContact O-N 2.91Å; A82-V115 PolarHBondContact O-N 2.81Å; A82-V115 VanDerWaalsContact O-N 3.08Å; A82-I169 HydrophobicContact CB-CD1 3.98Å; A82-S185 WeakPolarHBondContact CB-O 3.48Å; A82-I187 HydrophobicContact CB-CD1 4.41Å; A82-I187 HydrophobicContact CB-CG1 3.78Å
83	G	97.6	Very high	93.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.5	179.5	0	0	0	0	0	113.4	K10 F11 L12 V115	K10-G83 PolarHBondContact O-N 3.22Å; F11-G83 CarbonylContact C-O 3.53Å; F11-G83 VanDerWaalsContact CA-O 3.27Å; F11-G83 WeakPolarHBondContact CA-O 3.26Å; L12-G83 PolarHBondContact N-O 3.24Å; G83-V115 CarbonylContact C-O 3.6Å; G83-V115 WeakPolarHBondContact CA-O 3.41Å
84	A	98.1	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.1	171.4	0	0	0	0	0	112.2	L12 I114 V115 I116 I117	L12-A84 HydrophobicContact CB-CB 4.08Å; L12-A84 CarbonylContact O-C 3.57Å; L12-A84 VanDerWaalsContact O-CA 3.26Å; L12-A84 WeakPolarHBondContact O-CA 3.47Å; A84-I114 HydrophobicContact CB-CD1 3.86Å; A84-V115 PolarHBondContact N-O 2.97Å; A84-I116 HydrophobicContact CB-CG1 4.38Å; A84-I116 WeakPolarHBondContact O-CA 3.5Å; A84-I117 PolarHBondContact O-N 3.16Å
85	L	98.6	Very high	95.3	Very high	3 Å²	3	38 Å²	38	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.8	160.8	-78.4	72.7	0	0	0	107.7	F11 L12 V13 I14 V87 I117 F162	F11-L85 HydrophobicContact CD2-CD1 4.25Å; L12-L85 PolarHBondContact O-N 3.24Å; V13-L85 HydrophobicContact CG1-CB 4.37Å; I14-L85 PolarHBondContact N-O 3.26Å; L85-V87 HydrophobicContact CB-CG2 4.3Å; L85-I117 WeakPolarHBondContact CA-O 3.39Å; L85-F162 HydrophobicContact CD1-CD1 3.7Å; L85-F162 HydrophobicContact CD1-CE1 3.68Å; L85-F162 HydrophobicContact CD1-CG 4.33Å; L85-F162 HydrophobicContact CD1-CZ 4.32Å; L85-F162 HydrophobicContact CD2-CD1 4.17Å; L85-F162 HydrophobicContact CD2-CD2 4.06Å; L85-F162 HydrophobicContact CD2-CE1 3.83Å; L85-F162 HydrophobicContact CD2-CE2 3.7Å; L85-F162 HydrophobicContact CD2-CG 4.28Å; L85-F162 HydrophobicContact CD2-CZ 3.58Å; L85-F162 HydrophobicContact CG-CE1 4.39Å
86	L	98.5	Very high	96.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.5	174.5	175.3	60.8	0	0	0	108.4	I14 L99 W102 L103 I116 I117 L118 C119 L145	I14-L86 HydrophobicContact CD1-CD1 4.02Å; I14-L86 HydrophobicContact CG1-CB 4.37Å; I14-L86 HydrophobicContact CG1-CD1 3.89Å; L86-L99 HydrophobicContact CD1-CD2 3.79Å; L86-L99 HydrophobicContact CD2-CD2 3.79Å; L86-L99 HydrophobicContact CG-CD2 3.52Å; L86-W102 HydrophobicContact CD1-CB 3.48Å; L86-W102 VanDerWaalsContact CD1-CB 3.48Å; L86-W102 HydrophobicContact CD1-CG 4.31Å; L86-L103 HydrophobicContact CD2-CB 4.1Å; L86-I116 HydrophobicContact CB-CG2 3.77Å; L86-I117 PolarHBondContact N-O 3.25Å; L86-L118 HydrophobicContact CD2-CD1 4.2Å; L86-L118 HydrophobicContact CG-CD1 4.12Å; L86-L118 CarbonylContact O-C 3.45Å; L86-L118 WeakPolarHBondContact O-CA 3.49Å; L86-C119 PolarHBondContact O-N 2.85Å; L86-L145 HydrophobicContact CD2-CD1 4.43Å
87	V	98.7	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.4	-166.7	-169.4	0	0	0	0	111	V13 I14 G15 A19 K21 L24 L85 C119 N121	V13-V87 HydrophobicContact CG1-CG2 3.72Å; I14-V87 PolarHBondContact O-N 3.07Å; G15-V87 WeakPolarHBondContact CA-O 3.48Å; A19-V87 HydrophobicContact CB-CG1 4.15Å; K21-V87 HydrophobicContact CG-CB 4Å; K21-V87 HydrophobicContact CG-CG1 4.45Å; K21-V87 HydrophobicContact CG-CG2 4.12Å; L24-V87 HydrophobicContact CD1-CG1 3.72Å; L24-V87 HydrophobicContact CD1-CG2 3.89Å; L85-V87 HydrophobicContact CB-CG2 4.3Å; V87-C119 WeakPolarHBondContact CA-O 3.28Å; V87-C119 HydrophobicContact CG2-CB 4.3Å; V87-N121 HydrophobicContact CG1-CB 3.81Å
88	Y	98.8	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167.7	163.9	74.4	-79	0	0	0	110	I90 Y96 L99 L118 C119 N121 V131 A136 F147	Y88-I90 HydrophobicContact CE2-CG2 3.98Å; Y88-Y96 HydrophobicContact CD2-CD2 4.04Å; Y88-Y96 HydrophobicContact CD2-CG 4.49Å; Y88-Y96 HydrophobicContact CE1-CD2 4.48Å; Y88-Y96 HydrophobicContact CE2-CD2 4Å; Y88-Y96 HydrophobicContact CG-CD2 4.32Å; Y88-L99 HydrophobicContact CD1-CD1 3.9Å; Y88-L99 HydrophobicContact CD1-CD2 4.25Å; Y88-L99 HydrophobicContact CE1-CD1 4.49Å; Y88-L99 HydrophobicContact CG-CD1 4.16Å; Y88-L118 HydrophobicContact CD1-CD1 3.78Å; Y88-L118 HydrophobicContact CD1-CG 4.36Å; Y88-L118 HydrophobicContact CE1-CD1 3.99Å; Y88-L118 HydrophobicContact CE1-CD2 4.34Å; Y88-L118 HydrophobicContact CE1-CG 4.07Å; Y88-C119 WeakPolarHBondContact CD1-O 3.36Å; Y88-C119 PolarHBondContact N-O 3.13Å; Y88-N121 WeakPolarHBondContact O-CB 3.4Å; Y88-N121 PolarHBondContact O-N 3.15Å; Y88-V131 HydrophobicContact CE2-CB 3.99Å; Y88-V131 HydrophobicContact CE2-CG1 3.82Å; Y88-V131 HydrophobicContact CE2-CG2 4.29Å; Y88-A136 HydrophobicContact CE1-CB 4.35Å; Y88-A136 WeakPolarHBondContact OH-CB 3.43Å; Y88-F147 HydrophobicContact CE1-CE2 4.14Å
89	D	98.6	Very high	97.2	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.1	175.5	-178.8	-1.4	0	0	0	109.6	T91 S92 T95 K122	D89-T91 PolarHBondContact O-N 3.22Å; D89-T91 PolarHBondContact OD1-N 2.92Å; D89-T91 PolarHBondContact OD1-OG1 2.9Å; D89-T91 VanDerWaalsContact OD1-OG1 3.1Å; D89-T91 PolarHBondContact OD2-OG1 2.83Å; D89-S92 PolarHBondContact O-N 3.36Å; D89-S92 VanDerWaalsContact O-N 3.11Å; D89-T95 HydrophobicContact CB-CG2 4.27Å; D89-T95 PolarHBondContact N-OG1 2.68Å; D89-T95 PolarHBondContact O-OG1 2.99Å; D89-K122 WeakPolarHBondContact OD1-CD 3.25Å; D89-K122 WeakPolarHBondContact OD2-CD 3.19Å; D89-K122 WeakPolarHBondContact OD2-CE 3.47Å; D89-K122 IonicContact OD2-NZ 2.76Å; D89-K122 PolarHBondContact OD2-NZ 3.27Å
90	I	98.8	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.8	-179.6	68.3	163.1	0	0	0	112.9	Y88 S92 N121 E130 V131	Y88-I90 HydrophobicContact CE2-CG2 3.98Å; I90-S92 VanDerWaalsContact C-N 3.35Å; I90-N121 WeakPolarHBondContact CG1-O 3.42Å; I90-N121 PolarHBondContact N-O 2.99Å; I90-E130 PolarHBondContact O-N 3.28Å; I90-V131 PolarHBondContact O-N 3.43Å
91	T	98.6	Very high	97.8	Very high	22 Å²	22	29.9 Å²	29.9	14%	0.135	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	7.4	178.5	78.3	0	0	0	0	112.4	D89 L125 E128 E130	D89-T91 PolarHBondContact O-N 3.22Å; D89-T91 PolarHBondContact OD1-N 2.92Å; D89-T91 PolarHBondContact OD1-OG1 2.9Å; D89-T91 VanDerWaalsContact OD1-OG1 3.1Å; D89-T91 PolarHBondContact OD2-OG1 2.83Å; T91-L125 HydrophobicContact CG2-CB 3.63Å; T91-L125 HydrophobicContact CG2-CD1 4.28Å; T91-E128 WeakPolarHBondContact CA-O 3.33Å; T91-E128 WeakPolarHBondContact CB-O 3.26Å; T91-E128 HydrophobicContact CG2-CB 3.89Å; T91-E130 VanDerWaalsContact O-CD 3.26Å
92	S	98.3	Very high	97.8	Very high	30 Å²	30	30 Å²	30	21%	0.21	16%	0.158	C	C	.	.			trans	-138.9	100.8	179.5	-177.6	0	0	0	0	111.9	D89 I90 E94 T95 Y96	D89-S92 PolarHBondContact O-N 3.36Å; D89-S92 VanDerWaalsContact O-N 3.11Å; I90-S92 VanDerWaalsContact C-N 3.35Å; S92-E94 PolarHBondContact O-N 2.69Å; S92-T95 PolarHBondContact O-N 2.81Å; S92-T95 VanDerWaalsContact O-N 3.09Å; S92-T95 PolarHBondContact O-OG1 3.26Å; S92-Y96 PolarHBondContact O-N 2.95Å
93	R	98.2	Very high	97.8	Very high	74 Å²	74	30 Å²	30	28%	0.279	16%	0.157	S	C	.	.	H	α-helix	trans	-55.4	-34.3	177.6	-179	62.2	69	175.5	11	113	T95 Y96 N97 E130 E135	R93-T95 VanDerWaalsContact C-N 3.35Å; R93-T95 PolarHBondContact O-N 3.25Å; R93-Y96 WeakPolarHBondContact O-CB 3.44Å; R93-Y96 PolarHBondContact O-N 2.89Å; R93-N97 VanDerWaalsContact O-CG 3.29Å; R93-N97 PolarHBondContact O-N 3.44Å; R93-E130 HydrophobicContact CB-CB 4.28Å; R93-E130 VanDerWaalsContact CB-OE2 3.23Å; R93-E130 WeakPolarHBondContact CB-OE2 3.34Å; R93-E130 PolarHBondContact N-OE2 3.46Å; R93-E130 PolarHBondContact NE-O 3.02Å; R93-E130 PolarHBondContact NH2-O 2.99Å; R93-E135 IonicContact CZ-OE1 3.26Å; R93-E135 IonicContact CZ-OE2 2.69Å; R93-E135 IonicContact NH1-OE1 2.64Å; R93-E135 PolarHBondContact NH1-OE1 3.3Å; R93-E135 VanDerWaalsContact NH1-OE1 3.09Å; R93-E135 IonicContact NH1-OE2 2.73Å; R93-E135 PolarHBondContact NH1-OE2 3.12Å; R93-E135 IonicContact NH2-OE1 3.41Å; R93-E135 PolarHBondContact NH2-OE1 3.31Å; R93-E135 IonicContact NH2-OE2 2.73Å; R93-E135 PolarHBondContact NH2-OE2 3.4Å
94	E	97.6	Very high	97.7	Very high	156 Å²	156	33.6 Å²	33.6	73%	0.729	18%	0.179	S	C	*	.	H	α-helix	trans	-60.9	-43.4	178	-172.5	-175.2	165.8	0	0	111.8	S92 Y96 N97 A98	S92-E94 PolarHBondContact O-N 2.69Å; E94-Y96 VanDerWaalsContact C-N 3.27Å; E94-Y96 PolarHBondContact O-N 3.47Å; E94-N97 PolarHBondContact O-N 2.89Å; E94-A98 PolarHBondContact O-N 3.43Å; E94-A98 VanDerWaalsContact O-N 3.15Å
95	T	98.3	Very high	97.5	Very high	10 Å²	10	34.7 Å²	34.7	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-33.8	179.1	69.9	0	0	0	0	112.2	D89 S92 R93	D89-T95 HydrophobicContact CB-CG2 4.27Å; D89-T95 PolarHBondContact N-OG1 2.68Å; D89-T95 PolarHBondContact O-OG1 2.99Å; S92-T95 PolarHBondContact O-N 2.81Å; S92-T95 VanDerWaalsContact O-N 3.09Å; S92-T95 PolarHBondContact O-OG1 3.26Å; R93-T95 VanDerWaalsContact C-N 3.35Å; R93-T95 PolarHBondContact O-N 3.25Å
96	Y	98.6	Very high	97.3	Very high	27 Å²	27	34.5 Å²	34.5	11%	0.106	18%	0.184	C	C	.	.	H	α-helix	trans	-68.8	-46	174.4	175.6	-98	0	0	0	112.1	Y88 S92 R93 E94 A98 L99 V131 E135 A136 F139	Y88-Y96 HydrophobicContact CD2-CD2 4.04Å; Y88-Y96 HydrophobicContact CD2-CG 4.49Å; Y88-Y96 HydrophobicContact CE1-CD2 4.48Å; Y88-Y96 HydrophobicContact CE2-CD2 4Å; Y88-Y96 HydrophobicContact CG-CD2 4.32Å; S92-Y96 PolarHBondContact O-N 2.95Å; R93-Y96 WeakPolarHBondContact O-CB 3.44Å; R93-Y96 PolarHBondContact O-N 2.89Å; E94-Y96 VanDerWaalsContact C-N 3.27Å; E94-Y96 PolarHBondContact O-N 3.47Å; Y96-A98 PolarHBondContact O-N 2.96Å; Y96-A98 VanDerWaalsContact O-N 3.15Å; Y96-L99 HydrophobicContact CD2-CD1 3.38Å; Y96-L99 HydrophobicContact CE2-CD1 3.75Å; Y96-L99 HydrophobicContact CG-CD1 4.12Å; Y96-L99 WeakPolarHBondContact O-CB 3.44Å; Y96-L99 WeakPolarHBondContact O-CD1 3.37Å; Y96-L99 WeakPolarHBondContact O-CG 3.43Å; Y96-L99 PolarHBondContact O-N 2.81Å; Y96-V131 HydrophobicContact CD1-CG1 4.36Å; Y96-V131 HydrophobicContact CD2-CG1 3.66Å; Y96-V131 HydrophobicContact CD2-CG2 4.49Å; Y96-V131 HydrophobicContact CE2-CG1 3.96Å; Y96-V131 HydrophobicContact CG-CG1 3.89Å; Y96-V131 HydrophobicContact CG-CG2 4.01Å; Y96-E135 PolarHBondContact OH-O 2.94Å; Y96-A136 HydrophobicContact CE2-CB 3.99Å; Y96-F139 HydrophobicContact CE2-CB 4.47Å; Y96-F139 WeakPolarHBondContact OH-CB 3.24Å
97	N	98	Very high	97.2	Very high	102 Å²	102	38.4 Å²	38.4	55%	0.545	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-27.5	178.4	-68	-15	0	0	0	112.4	R93 E94 L99	R93-N97 VanDerWaalsContact O-CG 3.29Å; R93-N97 PolarHBondContact O-N 3.44Å; E94-N97 PolarHBondContact O-N 2.89Å; N97-L99 VanDerWaalsContact C-N 3.3Å; N97-L99 PolarHBondContact O-N 3.3Å
98	A	97.1	Very high	97	Very high	21 Å²	21	43.4 Å²	43.4	17%	0.174	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.1	176.8	0	0	0	0	0	114.4	S16 E94 Y96 T100 N101 W102	S16-A98 WeakPolarHBondContact OG-CB 3.28Å; E94-A98 PolarHBondContact O-N 3.43Å; E94-A98 VanDerWaalsContact O-N 3.15Å; Y96-A98 PolarHBondContact O-N 2.96Å; Y96-A98 VanDerWaalsContact O-N 3.15Å; A98-T100 VanDerWaalsContact C-N 3.3Å; A98-T100 PolarHBondContact O-N 3.4Å; A98-N101 PolarHBondContact O-N 3.28Å; A98-N101 VanDerWaalsContact O-N 3.14Å; A98-W102 PolarHBondContact O-N 3.42Å
99	L	98	Very high	96.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-42.2	-175.1	-74.6	170.9	0	0	0	112.8	L86 Y88 Y96 N97 N101 W102 L103 L118 F139	L86-L99 HydrophobicContact CD1-CD2 3.79Å; L86-L99 HydrophobicContact CD2-CD2 3.79Å; L86-L99 HydrophobicContact CG-CD2 3.52Å; Y88-L99 HydrophobicContact CD1-CD1 3.9Å; Y88-L99 HydrophobicContact CD1-CD2 4.25Å; Y88-L99 HydrophobicContact CE1-CD1 4.49Å; Y88-L99 HydrophobicContact CG-CD1 4.16Å; Y96-L99 HydrophobicContact CD2-CD1 3.38Å; Y96-L99 HydrophobicContact CE2-CD1 3.75Å; Y96-L99 HydrophobicContact CG-CD1 4.12Å; Y96-L99 WeakPolarHBondContact O-CB 3.44Å; Y96-L99 WeakPolarHBondContact O-CD1 3.37Å; Y96-L99 WeakPolarHBondContact O-CG 3.43Å; Y96-L99 PolarHBondContact O-N 2.81Å; N97-L99 VanDerWaalsContact C-N 3.3Å; N97-L99 PolarHBondContact O-N 3.3Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.48Å; L99-W102 PolarHBondContact O-N 3.45Å; L99-W102 VanDerWaalsContact O-N 3.14Å; L99-L103 WeakPolarHBondContact O-CB 3.14Å; L99-L103 PolarHBondContact O-N 3.37Å; L99-L118 HydrophobicContact CD1-CD1 3.77Å; L99-L118 HydrophobicContact CD2-CD1 3.59Å; L99-L118 HydrophobicContact CG-CD1 4.34Å; L99-F139 HydrophobicContact CB-CE1 3.97Å; L99-F139 HydrophobicContact CB-CE2 4.48Å; L99-F139 HydrophobicContact CB-CZ 3.75Å; L99-F139 HydrophobicContact CD1-CD1 4.28Å; L99-F139 HydrophobicContact CD1-CE1 4.08Å
100	T	96.9	Very high	96.4	Very high	72 Å²	72	46.6 Å²	46.6	44%	0.442	25%	0.248	S	C	.	.	H	α-helix	trans	-56.8	-40.6	-179.5	-51.4	0	0	0	0	112	A98 T104	A98-T100 VanDerWaalsContact C-N 3.3Å; A98-T100 PolarHBondContact O-N 3.4Å; T100-T104 WeakPolarHBondContact O-CB 3.39Å; T100-T104 PolarHBondContact O-N 2.98Å; T100-T104 PolarHBondContact O-OG1 3.31Å
101	N	94.9	Very high	95.9	Very high	97 Å²	97	47.9 Å²	47.9	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-69.7	-41.9	179.6	-64.8	-24.3	0	0	0	111.3	R71 A98 L99 D105	R71-N101 PolarHBondContact NH2-O 2.91Å; A98-N101 PolarHBondContact O-N 3.28Å; A98-N101 VanDerWaalsContact O-N 3.14Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.48Å; N101-D105 PolarHBondContact O-N 3.2Å; N101-D105 VanDerWaalsContact O-N 3.13Å
102	W	95.8	Very high	95.4	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.019	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-41.2	177.4	-71.2	112.8	0	0	0	112.4	I14 G15 S16 L86 A98 L99 D105 A106	I14-W102 HydrophobicContact CB-CE3 4.32Å; G15-W102 VanDerWaalsContact C-CE2 3.47Å; G15-W102 WeakPolarHBondContact O-CZ2 3.33Å; S16-W102 PolarHBondContact OG-NE1 3.09Å; L86-W102 HydrophobicContact CD1-CB 3.48Å; L86-W102 VanDerWaalsContact CD1-CB 3.48Å; L86-W102 HydrophobicContact CD1-CG 4.31Å; A98-W102 PolarHBondContact O-N 3.42Å; L99-W102 PolarHBondContact O-N 3.45Å; L99-W102 VanDerWaalsContact O-N 3.14Å; W102-D105 PolarHBondContact O-N 2.85Å; W102-A106 WeakPolarHBondContact O-CB 3.43Å; W102-A106 PolarHBondContact O-N 3.4Å
103	L	96.6	Very high	94.9	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175.9	178.4	60.9	0	0	0	111.7	L86 L99 D105 A106 R107 I116 F139 N143 L145	L86-L103 HydrophobicContact CD2-CB 4.1Å; L99-L103 WeakPolarHBondContact O-CB 3.14Å; L99-L103 PolarHBondContact O-N 3.37Å; L103-D105 PolarHBondContact O-N 3.03Å; L103-A106 WeakPolarHBondContact O-CB 3.39Å; L103-A106 PolarHBondContact O-N 3.23Å; L103-R107 HydrophobicContact CD1-CG 4.45Å; L103-R107 PolarHBondContact O-N 2.97Å; L103-I116 HydrophobicContact CD1-CD1 3.45Å; L103-I116 VanDerWaalsContact CD1-CD1 3.45Å; L103-F139 HydrophobicContact CD2-CZ 4.32Å; L103-N143 HydrophobicContact CD2-CB 3.77Å; L103-N143 WeakPolarHBondContact CD2-OD1 3.2Å; L103-L145 HydrophobicContact CD1-CD1 4.38Å; L103-L145 HydrophobicContact CD1-CD2 3.91Å; L103-L145 HydrophobicContact CD2-CD1 4.27Å
104	T	95.6	Very high	94.8	Very high	74 Å²	74	50.8 Å²	50.8	45%	0.454	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-46.3	177.1	-60.3	0	0	0	0	111	T100 A106 R107 T108	T100-T104 WeakPolarHBondContact O-CB 3.39Å; T100-T104 PolarHBondContact O-N 2.98Å; T100-T104 PolarHBondContact O-OG1 3.31Å; T104-A106 PolarHBondContact O-N 3.5Å; T104-R107 PolarHBondContact O-N 3.13Å; T104-T108 VanDerWaalsContact O-CB 3.26Å; T104-T108 WeakPolarHBondContact O-CB 3.13Å; T104-T108 PolarHBondContact O-N 3.38Å; T104-T108 PolarHBondContact O-OG1 3.25Å
105	D	93.9	Very high	94.8	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-41.2	176.4	-83.7	2.5	0	0	0	112	R71 Y78 N101 W102 L103 R107 T108 L109	R71-D105 IonicContact CZ-OD2 3.16Å; R71-D105 IonicContact NE-OD2 3.8Å; R71-D105 PolarHBondContact NE-OD2 3.31Å; R71-D105 VanDerWaalsContact NH2-CG 3.35Å; R71-D105 IonicContact NH2-OD2 3.87Å; R71-D105 PolarHBondContact NH2-OD2 3.11Å; Y78-D105 HydrophobicContact CE1-CB 4.09Å; N101-D105 PolarHBondContact O-N 3.2Å; N101-D105 VanDerWaalsContact O-N 3.13Å; W102-D105 PolarHBondContact O-N 2.85Å; L103-D105 PolarHBondContact O-N 3.03Å; D105-R107 PolarHBondContact O-N 3.46Å; D105-T108 PolarHBondContact O-N 2.89Å; D105-L109 HydrophobicContact CB-CD1 4.07Å; D105-L109 WeakPolarHBondContact O-CB 3.48Å; D105-L109 VanDerWaalsContact O-CG 3.28Å; D105-L109 WeakPolarHBondContact O-CG 3.42Å; D105-L109 PolarHBondContact O-N 3.23Å
106	A	94.7	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-51.7	177.1	0	0	0	0	0	111.7	I14 Y78 W102 L103 T104 A110 I116	I14-A106 HydrophobicContact CD1-CB 3.77Å; Y78-A106 HydrophobicContact CE1-CB 4.26Å; W102-A106 WeakPolarHBondContact O-CB 3.43Å; W102-A106 PolarHBondContact O-N 3.4Å; L103-A106 WeakPolarHBondContact O-CB 3.39Å; L103-A106 PolarHBondContact O-N 3.23Å; T104-A106 PolarHBondContact O-N 3.5Å; A106-A110 WeakPolarHBondContact O-CB 3.4Å; A106-A110 PolarHBondContact O-N 2.86Å; A106-I116 HydrophobicContact CB-CD1 3.93Å
107	R	95.1	Very high	94.8	Very high	82 Å²	82	42.3 Å²	42.3	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-37.1	-179.6	-72.8	177.8	165	160	-1.4	112.9	L103 T104 D105 S111 N143	L103-R107 HydrophobicContact CD1-CG 4.45Å; L103-R107 PolarHBondContact O-N 2.97Å; T104-R107 PolarHBondContact O-N 3.13Å; D105-R107 PolarHBondContact O-N 3.46Å; R107-S111 CarbonylContact O-C 3.21Å; R107-N143 PolarHBondContact NH2-O 2.69Å
108	T	94	Very high	94.8	Very high	104 Å²	104	37.5 Å²	37.5	64%	0.638	22%	0.216	S	C	*	.	H	α-helix	trans	-76.6	-41.7	-176.7	-55.5	0	0	0	0	112.2	T104 D105	T104-T108 VanDerWaalsContact O-CB 3.26Å; T104-T108 WeakPolarHBondContact O-CB 3.13Å; T104-T108 PolarHBondContact O-N 3.38Å; T104-T108 PolarHBondContact O-OG1 3.25Å; D105-T108 PolarHBondContact O-N 2.89Å
109	L	93.1	Very high	94.9	Very high	57 Å²	57	36.5 Å²	36.5	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-96.8	-29.2	-169.5	-57.1	174.3	0	0	0	113.5	R75 Y78 D105	R75-L109 HydrophobicContact CB-CD1 4.22Å; R75-L109 HydrophobicContact CG-CD1 3.66Å; Y78-L109 HydrophobicContact CD1-CB 3.91Å; Y78-L109 HydrophobicContact CD1-CD1 4.17Å; Y78-L109 HydrophobicContact CG-CB 3.93Å; Y78-L109 HydrophobicContact CG-CD1 4.17Å; D105-L109 HydrophobicContact CB-CD1 4.07Å; D105-L109 WeakPolarHBondContact O-CB 3.48Å; D105-L109 VanDerWaalsContact O-CG 3.28Å; D105-L109 WeakPolarHBondContact O-CG 3.42Å; D105-L109 PolarHBondContact O-N 3.23Å
110	A	92.9	Very high	94.9	Very high	17 Å²	17	36.4 Å²	36.4	14%	0.14	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-73	177.8	0	0	0	0	0	110.9	Y78 A81 A106 I114	Y78-A110 VanDerWaalsContact O-CA 3.26Å; Y78-A110 WeakPolarHBondContact O-CA 3.24Å; Y78-A110 WeakPolarHBondContact O-CB 3.39Å; A81-A110 HydrophobicContact CB-CB 4.16Å; A106-A110 WeakPolarHBondContact O-CB 3.4Å; A106-A110 PolarHBondContact O-N 2.86Å; A110-I114 HydrophobicContact CB-CD1 3.75Å
111	S	88.7	Confident	95	Very high	28 Å²	28	33.1 Å²	33.1	20%	0.196	19%	0.187	C	C	.	.			trans	-171.1	143.8	179.3	175.1	0	0	0	0	108.3	R107 N113 I114	R107-S111 CarbonylContact O-C 3.21Å; S111-N113 PolarHBondContact O-N 2.78Å; S111-N113 VanDerWaalsContact O-N 3.14Å; S111-N113 PolarHBondContact OG-N 2.81Å; S111-N113 VanDerWaalsContact OG-N 3.16Å; S111-I114 WeakPolarHBondContact O-CB 3.46Å; S111-I114 WeakPolarHBondContact O-CG2 3.14Å; S111-I114 PolarHBondContact O-N 2.77Å
112	P	87.8	Confident	95.2	Very high	103 Å²	103	31.2 Å²	31.2	67%	0.669	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.6	169.6	-24.5	34.5	0	0	0	113
113	N	87.6	Confident	95.3	Very high	70 Å²	70	33.8 Å²	33.8	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5.9	-176.4	-62.3	-12.5	0	0	0	113.7	S111 V115 L178	S111-N113 PolarHBondContact O-N 2.78Å; S111-N113 VanDerWaalsContact O-N 3.14Å; S111-N113 PolarHBondContact OG-N 2.81Å; S111-N113 VanDerWaalsContact OG-N 3.16Å; N113-V115 PolarHBondContact O-N 3.33Å; N113-L178 HydrophobicContact CB-CD2 4.08Å
114	I	95	Very high	95.4	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.072	20%	0.201	C	C	.	.			trans	-57	133.5	178.2	-172	173.7	0	0	0	110.4	A81 A84 A110 S111 I116	A81-I114 HydrophobicContact CB-CD1 3.89Å; A84-I114 HydrophobicContact CB-CD1 3.86Å; A110-I114 HydrophobicContact CB-CD1 3.75Å; S111-I114 WeakPolarHBondContact O-CB 3.46Å; S111-I114 WeakPolarHBondContact O-CG2 3.14Å; S111-I114 PolarHBondContact O-N 2.77Å; I114-I116 HydrophobicContact CG1-CG1 4.41Å; I114-I116 HydrophobicContact CG2-CD1 3.79Å; I114-I116 HydrophobicContact CG2-CG1 3.87Å
115	V	97.5	Very high	95.5	Very high	6 Å²	6	36 Å²	36	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.6	177	176	0	0	0	0	109.2	A82 G83 A84 N113 M146 T168 I169 K172	A82-V115 PolarHBondContact O-N 2.81Å; A82-V115 VanDerWaalsContact O-N 3.08Å; G83-V115 CarbonylContact C-O 3.6Å; G83-V115 WeakPolarHBondContact CA-O 3.41Å; A84-V115 PolarHBondContact N-O 2.97Å; N113-V115 PolarHBondContact O-N 3.33Å; V115-M146 HydrophobicContact CG1-CE 3.82Å; V115-T168 HydrophobicContact CG1-CG2 3.69Å; V115-T168 HydrophobicContact CG2-CG2 4.08Å; V115-I169 HydrophobicContact CB-CD1 4.35Å; V115-I169 HydrophobicContact CB-CG1 3.82Å; V115-I169 HydrophobicContact CG1-CG1 4.37Å; V115-I169 HydrophobicContact CG2-CG1 3.63Å; V115-K172 HydrophobicContact CG2-CD 4.06Å
116	I	98.3	Very high	95.7	Very high	9 Å²	9	39 Å²	39	5%	0.046	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.2	-175.7	-57.5	176.9	0	0	0	110.6	A84 L86 L103 A106 I114 L145	A84-I116 HydrophobicContact CB-CG1 4.38Å; A84-I116 WeakPolarHBondContact O-CA 3.5Å; L86-I116 HydrophobicContact CB-CG2 3.77Å; L103-I116 HydrophobicContact CD1-CD1 3.45Å; L103-I116 VanDerWaalsContact CD1-CD1 3.45Å; A106-I116 HydrophobicContact CB-CD1 3.93Å; I114-I116 HydrophobicContact CG1-CG1 4.41Å; I114-I116 HydrophobicContact CG2-CD1 3.79Å; I114-I116 HydrophobicContact CG2-CG1 3.87Å; I116-L145 HydrophobicContact CB-CD2 3.94Å; I116-L145 HydrophobicContact CG2-CD2 4.1Å
117	I	98.5	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120	166.9	-46.4	-60.5	0	0	0	108.5	A84 L85 L86 M146 L148 K164 C165	A84-I117 PolarHBondContact O-N 3.16Å; L85-I117 WeakPolarHBondContact CA-O 3.39Å; L86-I117 PolarHBondContact N-O 3.25Å; I117-M146 CarbonylContact C-O 3.46Å; I117-M146 HydrophobicContact CD1-CB 3.59Å; I117-M146 HydrophobicContact CD1-CE 3.21Å; I117-M146 HydrophobicContact CD1-CG 4.15Å; I117-M146 HydrophobicContact CD1-SD 3.57Å; I117-M146 VanDerWaalsContact CD1-SD 3.57Å; I117-M146 HydrophobicContact CG2-CB 4.49Å; I117-L148 HydrophobicContact CG2-CD1 4.11Å; I117-L148 HydrophobicContact CG2-CG 4.47Å; I117-K164 HydrophobicContact CD1-CB 4.42Å; I117-C165 HydrophobicContact CD1-CB 4.12Å; I117-C165 HydrophobicContact CG1-CB 3.61Å
118	L	98.8	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.3	166.9	-179.4	65.5	0	0	0	109.4	L86 Y88 L99 F139 A140 L145 M146 F147 L148	L86-L118 HydrophobicContact CD2-CD1 4.2Å; L86-L118 HydrophobicContact CG-CD1 4.12Å; L86-L118 CarbonylContact O-C 3.45Å; L86-L118 WeakPolarHBondContact O-CA 3.49Å; Y88-L118 HydrophobicContact CD1-CD1 3.78Å; Y88-L118 HydrophobicContact CD1-CG 4.36Å; Y88-L118 HydrophobicContact CE1-CD1 3.99Å; Y88-L118 HydrophobicContact CE1-CD2 4.34Å; Y88-L118 HydrophobicContact CE1-CG 4.07Å; L99-L118 HydrophobicContact CD1-CD1 3.77Å; L99-L118 HydrophobicContact CD2-CD1 3.59Å; L99-L118 HydrophobicContact CG-CD1 4.34Å; L118-F139 HydrophobicContact CD2-CD1 3.9Å; L118-F139 HydrophobicContact CD2-CE1 4.47Å; L118-A140 HydrophobicContact CD2-CB 3.89Å; L118-L145 HydrophobicContact CB-CB 4.46Å; L118-L145 HydrophobicContact CB-CD1 4.3Å; L118-M146 PolarHBondContact N-O 3.14Å; L118-F147 HydrophobicContact CB-CD2 4.08Å; L118-F147 HydrophobicContact CD2-CD2 3.75Å; L118-F147 HydrophobicContact CD2-CE2 4.27Å; L118-F147 HydrophobicContact CD2-CG 4.4Å; L118-F147 HydrophobicContact CG-CD2 3.79Å; L118-F147 HydrophobicContact CG-CE2 4.33Å; L118-F147 WeakPolarHBondContact O-CA 3.35Å; L118-L148 PolarHBondContact O-N 2.99Å
119	C	98.8	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.8	-179.6	-59.6	0	0	0	0	109.9	L86 V87 Y88 N121 L148 T150	L86-C119 PolarHBondContact O-N 2.85Å; V87-C119 WeakPolarHBondContact CA-O 3.28Å; V87-C119 HydrophobicContact CG2-CB 4.3Å; Y88-C119 WeakPolarHBondContact CD1-O 3.36Å; Y88-C119 PolarHBondContact N-O 3.13Å; C119-N121 PolarHBondContact O-N 3.15Å; C119-L148 CarbonylContact C-O 3.39Å; C119-L148 WeakPolarHBondContact CA-O 3.29Å; C119-T150 HydrophobicContact CB-CG2 4.31Å
120	G	98.8	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	97.7	167	0	0	0	0	0	109.9	L148 E149 T150	G120-L148 PolarHBondContact N-O 2.75Å; G120-E149 CarbonylContact O-C 3.55Å; G120-E149 WeakPolarHBondContact O-CA 3.41Å; G120-T150 PolarHBondContact O-N 3.45Å
121	N	98.8	Very high	96.7	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	167.8	-173	-166.5	33.6	0	0	0	112.6	A19 L24 V87 Y88 I90 C119 T150 A152	A19-N121 PolarHBondContact O-ND2 3.29Å; L24-N121 HydrophobicContact CD1-CB 4.28Å; V87-N121 HydrophobicContact CG1-CB 3.81Å; Y88-N121 WeakPolarHBondContact O-CB 3.4Å; Y88-N121 PolarHBondContact O-N 3.15Å; I90-N121 WeakPolarHBondContact CG1-O 3.42Å; I90-N121 PolarHBondContact N-O 2.99Å; C119-N121 PolarHBondContact O-N 3.15Å; N121-T150 CarbonylContact C-O 3.49Å; N121-T150 VanDerWaalsContact CA-O 3.28Å; N121-T150 WeakPolarHBondContact CA-O 3.1Å; N121-T150 WeakPolarHBondContact CA-OG1 3.48Å; N121-T150 PolarHBondContact OD1-O 3.43Å; N121-T150 PolarHBondContact OD1-OG1 2.85Å; N121-T150 VanDerWaalsContact OD1-OG1 3.1Å; N121-A152 PolarHBondContact OD1-N 2.96Å
122	K	98.4	Very high	97.2	Very high	56 Å²	56	47.6 Å²	47.6	24%	0.243	26%	0.26	C	S	.	.			trans	67.3	35.9	-176.3	-46.9	-166.5	-165.4	166.1	0	113.8	G18 D89 D124 L125 T150	G18-K122 VanDerWaalsContact O-CE 3.31Å; G18-K122 WeakPolarHBondContact O-CE 3.4Å; G18-K122 PolarHBondContact O-NZ 3Å; G18-K122 VanDerWaalsContact O-NZ 3.09Å; D89-K122 WeakPolarHBondContact OD1-CD 3.25Å; D89-K122 WeakPolarHBondContact OD2-CD 3.19Å; D89-K122 WeakPolarHBondContact OD2-CE 3.47Å; D89-K122 IonicContact OD2-NZ 2.76Å; D89-K122 PolarHBondContact OD2-NZ 3.27Å; K122-D124 WeakPolarHBondContact CA-OD1 3.39Å; K122-D124 PolarHBondContact O-N 3.47Å; K122-D124 VanDerWaalsContact O-N 3.11Å; K122-L125 HydrophobicContact CB-CD1 4.33Å; K122-L125 HydrophobicContact CD-CD1 4.24Å; K122-L125 PolarHBondContact O-N 3.22Å; K122-T150 PolarHBondContact N-O 3.29Å
123	K	98.6	Very high	97.7	Very high	60 Å²	60	48 Å²	48	26%	0.261	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-56.7	-24.7	175.6	-166.2	-175.9	179.7	-173	0	113.9	L125 D126 E149 T150 E156	K123-L125 PolarHBondContact O-N 3.37Å; K123-D126 PolarHBondContact O-N 3.28Å; K123-E149 HydrophobicContact CB-CB 4.43Å; K123-E149 HydrophobicContact CD-CB 3.76Å; K123-E149 HydrophobicContact CG-CB 4.23Å; K123-T150 WeakPolarHBondContact CB-O 3.5Å; K123-T150 PolarHBondContact N-O 3.09Å; K123-E156 IonicContact NZ-OE1 3.34Å; K123-E156 PolarHBondContact NZ-OE1 2.92Å; K123-E156 IonicContact NZ-OE2 2.67Å
124	D	98.3	Very high	98.2	Very high	63 Å²	63	50.5 Å²	50.5	34%	0.337	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.4	-20.9	171.5	50.3	-74	0	0	0	114	K122 S151 L153 T154	K122-D124 WeakPolarHBondContact CA-OD1 3.39Å; K122-D124 PolarHBondContact O-N 3.47Å; K122-D124 VanDerWaalsContact O-N 3.11Å; D124-S151 VanDerWaalsContact CG-OG 3.32Å; D124-S151 VanDerWaalsContact OD1-CB 3.26Å; D124-S151 WeakPolarHBondContact OD1-CB 3.42Å; D124-S151 PolarHBondContact OD1-OG 3.06Å; D124-L153 HydrophobicContact CB-CD2 4.3Å; D124-L153 WeakPolarHBondContact OD2-CD2 3.27Å; D124-T154 HydrophobicContact CB-CG2 4.21Å
125	L	97.8	Very high	98.3	Very high	60 Å²	60	52.4 Å²	52.4	31%	0.314	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-101.1	35.2	177	-56.6	179.1	0	0	0	112.5	T91 K122 K123 A127 E128	T91-L125 HydrophobicContact CG2-CB 3.63Å; T91-L125 HydrophobicContact CG2-CD1 4.28Å; K122-L125 HydrophobicContact CB-CD1 4.33Å; K122-L125 HydrophobicContact CD-CD1 4.24Å; K122-L125 PolarHBondContact O-N 3.22Å; K123-L125 PolarHBondContact O-N 3.37Å; L125-A127 PolarHBondContact O-N 2.75Å; L125-E128 PolarHBondContact O-N 3.33Å
126	D	97.5	Very high	98.4	Very high	87 Å²	87	52.1 Å²	52.1	47%	0.465	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.5	-176.1	-166.9	58.5	0	0	0	114	K123 E128 R129	K123-D126 PolarHBondContact O-N 3.28Å; D126-E128 PolarHBondContact O-N 3.15Å; D126-R129 WeakPolarHBondContact O-CB 3.14Å; D126-R129 PolarHBondContact O-N 3.13Å; D126-R129 IonicContact OD1-CZ 2.86Å; D126-R129 IonicContact OD1-NE 3.17Å; D126-R129 PolarHBondContact OD1-NE 2.8Å; D126-R129 IonicContact OD1-NH2 2.86Å; D126-R129 PolarHBondContact OD1-NH2 3.05Å
127	A	98.1	Very high	98.4	Very high	109 Å²	109	53.7 Å²	53.7	90%	0.901	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.7	-23.2	175.8	0	0	0	0	0	113.7	L125	L125-A127 PolarHBondContact O-N 2.75Å
128	E	98.1	Very high	98.4	Very high	126 Å²	126	60.9 Å²	60.9	59%	0.589	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-101.7	15.2	179.1	-62.6	177.1	-132.2	0	0	111.7	T91 L125 D126 E130	T91-E128 WeakPolarHBondContact CA-O 3.33Å; T91-E128 WeakPolarHBondContact CB-O 3.26Å; T91-E128 HydrophobicContact CG2-CB 3.89Å; L125-E128 PolarHBondContact O-N 3.33Å; D126-E128 PolarHBondContact O-N 3.15Å; E128-E130 PolarHBondContact O-N 2.78Å
129	R	98.5	Very high	98.4	Very high	64 Å²	64	62 Å²	62	24%	0.242	32%	0.315	C	S	.	.			trans	-60.2	122.5	-175.7	176.9	-178.2	-70.4	-89.5	6.8	111.7	D126 V131 E149	D126-R129 WeakPolarHBondContact O-CB 3.14Å; D126-R129 PolarHBondContact O-N 3.13Å; D126-R129 IonicContact OD1-CZ 2.86Å; D126-R129 IonicContact OD1-NE 3.17Å; D126-R129 PolarHBondContact OD1-NE 2.8Å; D126-R129 IonicContact OD1-NH2 2.86Å; D126-R129 PolarHBondContact OD1-NH2 3.05Å; R129-V131 VanDerWaalsContact CD-O 3.29Å; R129-V131 WeakPolarHBondContact CD-O 2.85Å; R129-V131 WeakPolarHBondContact CG-O 3.42Å; R129-V131 PolarHBondContact NH1-O 2.88Å; R129-E149 IonicContact CZ-OE1 2.77Å; R129-E149 IonicContact CZ-OE2 3.09Å; R129-E149 IonicContact NH1-OE1 3.46Å; R129-E149 PolarHBondContact NH1-OE1 3.27Å; R129-E149 IonicContact NH1-OE2 3.42Å; R129-E149 VanDerWaalsContact NH2-CD 3.35Å; R129-E149 IonicContact NH2-OE1 2.7Å; R129-E149 PolarHBondContact NH2-OE1 3.38Å; R129-E149 VanDerWaalsContact NH2-OE1 3.17Å; R129-E149 IonicContact NH2-OE2 3.98Å; R129-E149 PolarHBondContact NH2-OE2 2.9Å
130	E	98.6	Very high	98.4	Very high	102 Å²	102	62.1 Å²	62.1	48%	0.477	32%	0.315	S	S	.	.			trans	-98.9	-24.7	170	-65.7	-169.8	175	0	0	112.2	I90 T91 R93 E128	I90-E130 PolarHBondContact O-N 3.28Å; T91-E130 VanDerWaalsContact O-CD 3.26Å; R93-E130 HydrophobicContact CB-CB 4.28Å; R93-E130 VanDerWaalsContact CB-OE2 3.23Å; R93-E130 WeakPolarHBondContact CB-OE2 3.34Å; R93-E130 PolarHBondContact N-OE2 3.46Å; R93-E130 PolarHBondContact NE-O 3.02Å; R93-E130 PolarHBondContact NH2-O 2.99Å; E128-E130 PolarHBondContact O-N 2.78Å
131	V	98.6	Very high	98.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-116.6	120.4	-176.5	-175.4	0	0	0	0	110.5	Y88 I90 Y96 R129 E135 A136	Y88-V131 HydrophobicContact CE2-CB 3.99Å; Y88-V131 HydrophobicContact CE2-CG1 3.82Å; Y88-V131 HydrophobicContact CE2-CG2 4.29Å; I90-V131 PolarHBondContact O-N 3.43Å; Y96-V131 HydrophobicContact CD1-CG1 4.36Å; Y96-V131 HydrophobicContact CD2-CG1 3.66Å; Y96-V131 HydrophobicContact CD2-CG2 4.49Å; Y96-V131 HydrophobicContact CE2-CG1 3.96Å; Y96-V131 HydrophobicContact CG-CG1 3.89Å; Y96-V131 HydrophobicContact CG-CG2 4.01Å; R129-V131 VanDerWaalsContact CD-O 3.29Å; R129-V131 WeakPolarHBondContact CD-O 2.85Å; R129-V131 WeakPolarHBondContact CG-O 3.42Å; R129-V131 PolarHBondContact NH1-O 2.88Å; V131-E135 WeakPolarHBondContact CA-OE1 3.21Å; V131-E135 HydrophobicContact CG1-CG 3.84Å; V131-A136 HydrophobicContact CG1-CB 4.32Å
132	T	98.6	Very high	98.3	Very high	68 Å²	68	75.9 Å²	75.9	42%	0.417	38%	0.38	S	S	.	.			trans	-72	150.8	-179.6	65.7	0	0	0	0	112.1	L134 E135 A136	T132-L134 PolarHBondContact O-N 2.9Å; T132-E135 PolarHBondContact N-OE1 3.3Å; T132-E135 WeakPolarHBondContact O-CG 3.35Å; T132-E135 VanDerWaalsContact OG1-CG 3.23Å; T132-E135 WeakPolarHBondContact OG1-CG 3.34Å; T132-E135 PolarHBondContact OG1-N 2.56Å; T132-E135 PolarHBondContact OG1-OE1 2.99Å; T132-E135 VanDerWaalsContact OG1-OE1 3.12Å; T132-A136 PolarHBondContact O-N 3.21Å
133	F	98.3	Very high	98.2	Very high	110 Å²	110	75.1 Å²	75.1	48%	0.482	38%	0.378	S	S	.	.	H	α-helix	trans	-57.5	-41.1	172.8	-179.3	-88.2	0	0	0	111.6	A136 S137 F147 E149	F133-A136 PolarHBondContact O-N 3.32Å; F133-S137 WeakPolarHBondContact O-CB 3.34Å; F133-S137 PolarHBondContact O-N 3.08Å; F133-F147 HydrophobicContact CD1-CE1 4.44Å; F133-F147 HydrophobicContact CD2-CD1 4.5Å; F133-F147 AromaticContact CD2-CE1 3.51Å; F133-F147 HydrophobicContact CD2-CE1 3.51Å; F133-F147 HydrophobicContact CD2-CZ 4.01Å; F133-F147 HydrophobicContact CE1-CE1 4.32Å; F133-F147 AromaticContact CE2-CD1 3.96Å; F133-F147 HydrophobicContact CE2-CD1 3.96Å; F133-F147 AromaticContact CE2-CE1 3.36Å; F133-F147 HydrophobicContact CE2-CE1 3.36Å; F133-F147 HydrophobicContact CE2-CZ 4.13Å; F133-F147 HydrophobicContact CG-CE1 4.06Å; F133-F147 HydrophobicContact CZ-CD1 4.04Å; F133-F147 AromaticContact CZ-CE1 3.8Å; F133-F147 HydrophobicContact CZ-CE1 3.8Å; F133-E149 HydrophobicContact CD2-CG 3.98Å; F133-E149 HydrophobicContact CE2-CG 4.37Å
134	L	98.3	Very high	98.1	Very high	124 Å²	124	80.6 Å²	80.6	65%	0.649	41%	0.405	S	S	*	.	H	α-helix	trans	-65.4	-43.3	-174.9	-177.9	62.3	0	0	0	112.5	T132 S137 R138	T132-L134 PolarHBondContact O-N 2.9Å; L134-S137 PolarHBondContact O-N 2.93Å; L134-R138 WeakPolarHBondContact O-CB 3.32Å; L134-R138 PolarHBondContact O-N 3.39Å
135	E	98.1	Very high	98.1	Very high	54 Å²	54	78.5 Å²	78.5	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-69.5	-39.9	179.7	74.4	-171.7	125.8	0	0	112	R93 Y96 V131 T132 S137 R138 F139	R93-E135 IonicContact CZ-OE1 3.26Å; R93-E135 IonicContact CZ-OE2 2.69Å; R93-E135 IonicContact NH1-OE1 2.64Å; R93-E135 PolarHBondContact NH1-OE1 3.3Å; R93-E135 VanDerWaalsContact NH1-OE1 3.09Å; R93-E135 IonicContact NH1-OE2 2.73Å; R93-E135 PolarHBondContact NH1-OE2 3.12Å; R93-E135 IonicContact NH2-OE1 3.41Å; R93-E135 PolarHBondContact NH2-OE1 3.31Å; R93-E135 IonicContact NH2-OE2 2.73Å; R93-E135 PolarHBondContact NH2-OE2 3.4Å; Y96-E135 PolarHBondContact OH-O 2.94Å; V131-E135 WeakPolarHBondContact CA-OE1 3.21Å; V131-E135 HydrophobicContact CG1-CG 3.84Å; T132-E135 PolarHBondContact N-OE1 3.3Å; T132-E135 WeakPolarHBondContact O-CG 3.35Å; T132-E135 VanDerWaalsContact OG1-CG 3.23Å; T132-E135 WeakPolarHBondContact OG1-CG 3.34Å; T132-E135 PolarHBondContact OG1-N 2.56Å; T132-E135 PolarHBondContact OG1-OE1 2.99Å; T132-E135 VanDerWaalsContact OG1-OE1 3.12Å; E135-S137 VanDerWaalsContact C-N 3.35Å; E135-R138 PolarHBondContact O-N 3.06Å; E135-F139 PolarHBondContact O-N 3.08Å
136	A	98.5	Very high	98.1	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-67.4	-37.7	176	0	0	0	0	0	111.9	Y88 Y96 V131 T132 F133 R138 F139 A140 F147	Y88-A136 HydrophobicContact CE1-CB 4.35Å; Y88-A136 WeakPolarHBondContact OH-CB 3.43Å; Y96-A136 HydrophobicContact CE2-CB 3.99Å; V131-A136 HydrophobicContact CG1-CB 4.32Å; T132-A136 PolarHBondContact O-N 3.21Å; F133-A136 PolarHBondContact O-N 3.32Å; A136-R138 VanDerWaalsContact C-N 3.34Å; A136-F139 PolarHBondContact O-N 3.33Å; A136-A140 WeakPolarHBondContact O-CB 3.17Å; A136-A140 PolarHBondContact O-N 2.92Å; A136-F147 HydrophobicContact CB-CE1 4.04Å; A136-F147 HydrophobicContact CB-CE2 3.93Å; A136-F147 HydrophobicContact CB-CZ 3.56Å
137	S	98.4	Very high	98.1	Very high	41 Å²	41	76 Å²	76	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-39.3	172.6	-173.9	0	0	0	0	111.9	F133 L134 E135 A140 Q141	F133-S137 WeakPolarHBondContact O-CB 3.34Å; F133-S137 PolarHBondContact O-N 3.08Å; L134-S137 PolarHBondContact O-N 2.93Å; E135-S137 VanDerWaalsContact C-N 3.35Å; S137-A140 PolarHBondContact O-N 2.84Å; S137-Q141 WeakPolarHBondContact O-CB 3.36Å; S137-Q141 PolarHBondContact O-N 2.88Å
138	R	98.6	Very high	98.1	Very high	152 Å²	152	72 Å²	72	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-47.5	174.9	180	-179.6	-72.1	171	-3.1	110.9	L134 E135 A136 A140 Q141 E142	L134-R138 WeakPolarHBondContact O-CB 3.32Å; L134-R138 PolarHBondContact O-N 3.39Å; E135-R138 PolarHBondContact O-N 3.06Å; A136-R138 VanDerWaalsContact C-N 3.34Å; R138-A140 VanDerWaalsContact C-N 3.29Å; R138-A140 PolarHBondContact O-N 2.74Å; R138-Q141 PolarHBondContact O-N 3.35Å; R138-Q141 VanDerWaalsContact O-N 3.14Å; R138-E142 WeakPolarHBondContact CD-OE1 3.32Å; R138-E142 HydrophobicContact CG-CG 4.27Å; R138-E142 VanDerWaalsContact CG-OE1 3.24Å; R138-E142 WeakPolarHBondContact CG-OE1 3.23Å; R138-E142 WeakPolarHBondContact O-CG 3.48Å; R138-E142 PolarHBondContact O-N 2.86Å
139	F	98.6	Very high	98.2	Very high	23 Å²	23	66.5 Å²	66.5	10%	0.101	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-44.4	176.2	174.4	-89	0	0	0	111.7	Y96 L99 L103 L118 E135 A136 N143 L145	Y96-F139 HydrophobicContact CE2-CB 4.47Å; Y96-F139 WeakPolarHBondContact OH-CB 3.24Å; L99-F139 HydrophobicContact CB-CE1 3.97Å; L99-F139 HydrophobicContact CB-CE2 4.48Å; L99-F139 HydrophobicContact CB-CZ 3.75Å; L99-F139 HydrophobicContact CD1-CD1 4.28Å; L99-F139 HydrophobicContact CD1-CE1 4.08Å; L103-F139 HydrophobicContact CD2-CZ 4.32Å; L118-F139 HydrophobicContact CD2-CD1 3.9Å; L118-F139 HydrophobicContact CD2-CE1 4.47Å; E135-F139 PolarHBondContact O-N 3.08Å; A136-F139 PolarHBondContact O-N 3.33Å; F139-N143 WeakPolarHBondContact O-CB 3.3Å; F139-N143 PolarHBondContact O-N 3.4Å; F139-N143 VanDerWaalsContact O-N 3.13Å; F139-N143 PolarHBondContact O-ND2 2.85Å; F139-L145 HydrophobicContact CE1-CD1 4.06Å
140	A	98.4	Very high	98.2	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-45.2	175.6	0	0	0	0	0	112.3	L118 A136 S137 R138 N143 E144 L145 F147	L118-A140 HydrophobicContact CD2-CB 3.89Å; A136-A140 WeakPolarHBondContact O-CB 3.17Å; A136-A140 PolarHBondContact O-N 2.92Å; S137-A140 PolarHBondContact O-N 2.84Å; R138-A140 VanDerWaalsContact C-N 3.29Å; R138-A140 PolarHBondContact O-N 2.74Å; A140-N143 CarbonylContact O-C 3.54Å; A140-N143 PolarHBondContact O-N 2.83Å; A140-E144 PolarHBondContact O-N 2.83Å; A140-L145 HydrophobicContact CB-CB 4.04Å; A140-L145 PolarHBondContact O-N 3.32Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CG 4.36Å
141	Q	97.9	Very high	98.2	Very high	155 Å²	155	58.7 Å²	58.7	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-47.6	178.4	-174.5	-179.1	5.4	0	0	112.2	S137 R138 N143 E144	S137-Q141 WeakPolarHBondContact O-CB 3.36Å; S137-Q141 PolarHBondContact O-N 2.88Å; R138-Q141 PolarHBondContact O-N 3.35Å; R138-Q141 VanDerWaalsContact O-N 3.14Å; Q141-N143 PolarHBondContact O-N 3.07Å; Q141-E144 PolarHBondContact O-N 3.14Å; Q141-E144 VanDerWaalsContact O-N 3.16Å
142	E	98.1	Very high	98.1	Very high	138 Å²	138	58.9 Å²	58.9	65%	0.645	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-26.4	178.5	-72	171.8	179.7	0	0	112.5	R138	R138-E142 WeakPolarHBondContact CD-OE1 3.32Å; R138-E142 HydrophobicContact CG-CG 4.27Å; R138-E142 VanDerWaalsContact CG-OE1 3.24Å; R138-E142 WeakPolarHBondContact CG-OE1 3.23Å; R138-E142 WeakPolarHBondContact O-CG 3.48Å; R138-E142 PolarHBondContact O-N 2.86Å
143	N	97.3	Very high	98.1	Very high	39 Å²	39	59.8 Å²	59.8	21%	0.209	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	10.1	179.9	-71.8	-82.7	0	0	0	113.5	L103 R107 F139 A140 Q141 L145	L103-N143 HydrophobicContact CD2-CB 3.77Å; L103-N143 WeakPolarHBondContact CD2-OD1 3.2Å; R107-N143 PolarHBondContact NH2-O 2.69Å; F139-N143 WeakPolarHBondContact O-CB 3.3Å; F139-N143 PolarHBondContact O-N 3.4Å; F139-N143 VanDerWaalsContact O-N 3.13Å; F139-N143 PolarHBondContact O-ND2 2.85Å; A140-N143 CarbonylContact O-C 3.54Å; A140-N143 PolarHBondContact O-N 2.83Å; Q141-N143 PolarHBondContact O-N 3.07Å; N143-L145 VanDerWaalsContact C-N 3.28Å; N143-L145 HydrophobicContact CB-CD1 4Å; N143-L145 HydrophobicContact CB-CD2 4.36Å; N143-L145 HydrophobicContact CB-CG 3.81Å; N143-L145 VanDerWaalsContact O-CD2 3.32Å; N143-L145 WeakPolarHBondContact O-CD2 3.37Å; N143-L145 PolarHBondContact O-N 3.27Å
144	E	96.3	Very high	98	Very high	176 Å²	176	58.7 Å²	58.7	82%	0.822	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	39.3	179.7	-56.1	174.3	-171.4	0	0	113.7	A140 Q141	A140-E144 PolarHBondContact O-N 2.83Å; Q141-E144 PolarHBondContact O-N 3.14Å; Q141-E144 VanDerWaalsContact O-N 3.16Å
145	L	97.6	Very high	98	Very high	18 Å²	18	53.9 Å²	53.9	9%	0.094	27%	0.268	C	S	.	.			trans	-102.9	147.1	177.8	-44	179.6	0	0	0	110	L86 L103 I116 L118 F139 A140 N143	L86-L145 HydrophobicContact CD2-CD1 4.43Å; L103-L145 HydrophobicContact CD1-CD1 4.38Å; L103-L145 HydrophobicContact CD1-CD2 3.91Å; L103-L145 HydrophobicContact CD2-CD1 4.27Å; I116-L145 HydrophobicContact CB-CD2 3.94Å; I116-L145 HydrophobicContact CG2-CD2 4.1Å; L118-L145 HydrophobicContact CB-CB 4.46Å; L118-L145 HydrophobicContact CB-CD1 4.3Å; F139-L145 HydrophobicContact CE1-CD1 4.06Å; A140-L145 HydrophobicContact CB-CB 4.04Å; A140-L145 PolarHBondContact O-N 3.32Å; N143-L145 VanDerWaalsContact C-N 3.28Å; N143-L145 HydrophobicContact CB-CD1 4Å; N143-L145 HydrophobicContact CB-CD2 4.36Å; N143-L145 HydrophobicContact CB-CG 3.81Å; N143-L145 VanDerWaalsContact O-CD2 3.32Å; N143-L145 WeakPolarHBondContact O-CD2 3.37Å; N143-L145 PolarHBondContact O-N 3.27Å
146	M	97.4	Very high	98	Very high	63 Å²	63	54.9 Å²	54.9	31%	0.31	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147.2	160.3	-72	170.2	-87.5	0	0	109	V115 I117 L118 T168	V115-M146 HydrophobicContact CG1-CE 3.82Å; I117-M146 CarbonylContact C-O 3.46Å; I117-M146 HydrophobicContact CD1-CB 3.59Å; I117-M146 HydrophobicContact CD1-CE 3.21Å; I117-M146 HydrophobicContact CD1-CG 4.15Å; I117-M146 HydrophobicContact CD1-SD 3.57Å; I117-M146 VanDerWaalsContact CD1-SD 3.57Å; I117-M146 HydrophobicContact CG2-CB 4.49Å; L118-M146 PolarHBondContact N-O 3.14Å; M146-T168 HydrophobicContact CE-CG2 3.77Å; M146-T168 VanDerWaalsContact CE-OG1 3.28Å; M146-T168 WeakPolarHBondContact CE-OG1 3.24Å
147	F	98.5	Very high	98	Very high	31 Å²	31	57.5 Å²	57.5	14%	0.136	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.9	-178.3	173.9	-128.6	0	0	0	112	Y88 L118 F133 A136 A140 E149	Y88-F147 HydrophobicContact CE1-CE2 4.14Å; L118-F147 HydrophobicContact CB-CD2 4.08Å; L118-F147 HydrophobicContact CD2-CD2 3.75Å; L118-F147 HydrophobicContact CD2-CE2 4.27Å; L118-F147 HydrophobicContact CD2-CG 4.4Å; L118-F147 HydrophobicContact CG-CD2 3.79Å; L118-F147 HydrophobicContact CG-CE2 4.33Å; L118-F147 WeakPolarHBondContact O-CA 3.35Å; F133-F147 HydrophobicContact CD1-CE1 4.44Å; F133-F147 HydrophobicContact CD2-CD1 4.5Å; F133-F147 AromaticContact CD2-CE1 3.51Å; F133-F147 HydrophobicContact CD2-CE1 3.51Å; F133-F147 HydrophobicContact CD2-CZ 4.01Å; F133-F147 HydrophobicContact CE1-CE1 4.32Å; F133-F147 AromaticContact CE2-CD1 3.96Å; F133-F147 HydrophobicContact CE2-CD1 3.96Å; F133-F147 AromaticContact CE2-CE1 3.36Å; F133-F147 HydrophobicContact CE2-CE1 3.36Å; F133-F147 HydrophobicContact CE2-CZ 4.13Å; F133-F147 HydrophobicContact CG-CE1 4.06Å; F133-F147 HydrophobicContact CZ-CD1 4.04Å; F133-F147 AromaticContact CZ-CE1 3.8Å; F133-F147 HydrophobicContact CZ-CE1 3.8Å; A136-F147 HydrophobicContact CB-CE1 4.04Å; A136-F147 HydrophobicContact CB-CE2 3.93Å; A136-F147 HydrophobicContact CB-CZ 3.56Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CG 4.36Å; F147-E149 HydrophobicContact CE2-CG 4.23Å; F147-E149 HydrophobicContact CZ-CG 3.74Å
148	L	98.3	Very high	98	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.136	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.9	171.9	-59.4	165.1	0	0	0	109.2	I117 L118 C119 G120 E160 K164	I117-L148 HydrophobicContact CG2-CD1 4.11Å; I117-L148 HydrophobicContact CG2-CG 4.47Å; L118-L148 PolarHBondContact O-N 2.99Å; C119-L148 CarbonylContact C-O 3.39Å; C119-L148 WeakPolarHBondContact CA-O 3.29Å; G120-L148 PolarHBondContact N-O 2.75Å; L148-E160 HydrophobicContact CD1-CG 4.48Å; L148-K164 HydrophobicContact CD1-CD 3.98Å; L148-K164 HydrophobicContact CD2-CD 4.32Å
149	E	98.7	Very high	98	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137	162	-66.7	-171.9	160	0	0	109.6	G120 K123 R129 F133 F147 N157	G120-E149 CarbonylContact O-C 3.55Å; G120-E149 WeakPolarHBondContact O-CA 3.41Å; K123-E149 HydrophobicContact CB-CB 4.43Å; K123-E149 HydrophobicContact CD-CB 3.76Å; K123-E149 HydrophobicContact CG-CB 4.23Å; R129-E149 IonicContact CZ-OE1 2.77Å; R129-E149 IonicContact CZ-OE2 3.09Å; R129-E149 IonicContact NH1-OE1 3.46Å; R129-E149 PolarHBondContact NH1-OE1 3.27Å; R129-E149 IonicContact NH1-OE2 3.42Å; R129-E149 VanDerWaalsContact NH2-CD 3.35Å; R129-E149 IonicContact NH2-OE1 2.7Å; R129-E149 PolarHBondContact NH2-OE1 3.38Å; R129-E149 VanDerWaalsContact NH2-OE1 3.17Å; R129-E149 IonicContact NH2-OE2 3.98Å; R129-E149 PolarHBondContact NH2-OE2 2.9Å; F133-E149 HydrophobicContact CD2-CG 3.98Å; F133-E149 HydrophobicContact CE2-CG 4.37Å; F147-E149 HydrophobicContact CE2-CG 4.23Å; F147-E149 HydrophobicContact CZ-CG 3.74Å; E149-N157 WeakPolarHBondContact O-CB 3.23Å; E149-N157 PolarHBondContact O-ND2 2.8Å
150	T	98.7	Very high	97.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.278	C	S	.	.			trans	-126.1	156	-173	61.5	0	0	0	0	111.1	C119 G120 N121 K122 K123 E156 N157	C119-T150 HydrophobicContact CB-CG2 4.31Å; G120-T150 PolarHBondContact O-N 3.45Å; N121-T150 CarbonylContact C-O 3.49Å; N121-T150 VanDerWaalsContact CA-O 3.28Å; N121-T150 WeakPolarHBondContact CA-O 3.1Å; N121-T150 WeakPolarHBondContact CA-OG1 3.48Å; N121-T150 PolarHBondContact OD1-O 3.43Å; N121-T150 PolarHBondContact OD1-OG1 2.85Å; N121-T150 VanDerWaalsContact OD1-OG1 3.1Å; K122-T150 PolarHBondContact N-O 3.29Å; K123-T150 WeakPolarHBondContact CB-O 3.5Å; K123-T150 PolarHBondContact N-O 3.09Å; T150-E156 VanDerWaalsContact CA-O 3.31Å; T150-E156 WeakPolarHBondContact CA-O 3.47Å; T150-N157 HydrophobicContact CG2-CB 4.02Å
151	S	98.5	Very high	97.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.			trans	-128.9	112.5	163.9	171.5	0	0	0	0	109.3	D124 L153 T154 G155 E156 V158	D124-S151 VanDerWaalsContact CG-OG 3.32Å; D124-S151 VanDerWaalsContact OD1-CB 3.26Å; D124-S151 WeakPolarHBondContact OD1-CB 3.42Å; D124-S151 PolarHBondContact OD1-OG 3.06Å; S151-L153 PolarHBondContact O-N 3.04Å; S151-L153 PolarHBondContact OG-N 3.17Å; S151-T154 VanDerWaalsContact CB-OG1 3.24Å; S151-T154 WeakPolarHBondContact CB-OG1 3.35Å; S151-T154 PolarHBondContact OG-N 3.28Å; S151-T154 PolarHBondContact OG-OG1 3.24Å; S151-G155 CarbonylContact O-C 3.42Å; S151-G155 VanDerWaalsContact O-CA 3.27Å; S151-G155 WeakPolarHBondContact O-CA 3.23Å; S151-G155 PolarHBondContact O-N 3.13Å; S151-E156 PolarHBondContact N-O 2.96Å; S151-E156 PolarHBondContact O-N 2.87Å; S151-V158 VanDerWaalsContact O-CG2 3.29Å; S151-V158 WeakPolarHBondContact O-CG2 3.43Å
152	A	97.7	Very high	97.9	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.9	170.4	0	0	0	0	0	112.2	C23 L24 Q27 F33 N121	C23-A152 HydrophobicContact CB-CB 3.7Å; L24-A152 HydrophobicContact CD2-CB 3.91Å; L24-A152 HydrophobicContact CG-CB 4.13Å; Q27-A152 VanDerWaalsContact CD-O 3.32Å; Q27-A152 WeakPolarHBondContact CG-O 3.44Å; Q27-A152 PolarHBondContact OE1-O 2.82Å; F33-A152 HydrophobicContact CD2-CB 4.27Å; F33-A152 WeakPolarHBondContact CD2-O 3.5Å; F33-A152 HydrophobicContact CE2-CB 4.27Å; N121-A152 PolarHBondContact OD1-N 2.96Å
153	L	97.2	Very high	97.9	Very high	87 Å²	87	42.5 Å²	42.5	46%	0.455	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-48.6	-179.9	178.3	63.2	0	0	0	111.7	F33 D124 S151	F33-L153 HydrophobicContact CB-CD1 4.26Å; F33-L153 HydrophobicContact CD1-CD1 3.54Å; F33-L153 HydrophobicContact CD2-CB 4.28Å; F33-L153 HydrophobicContact CD2-CD1 4.3Å; F33-L153 HydrophobicContact CE1-CD1 3.87Å; F33-L153 HydrophobicContact CE2-CB 4.37Å; F33-L153 HydrophobicContact CG-CD1 3.77Å; F33-L153 HydrophobicContact CZ-CD1 4.37Å; D124-L153 HydrophobicContact CB-CD2 4.3Å; D124-L153 WeakPolarHBondContact OD2-CD2 3.27Å; S151-L153 PolarHBondContact O-N 3.04Å; S151-L153 PolarHBondContact OG-N 3.17Å
154	T	97.6	Very high	97.9	Very high	87 Å²	87	44.3 Å²	44.3	53%	0.534	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.5	-177.2	69.1	0	0	0	0	113	D124 S151 E156	D124-T154 HydrophobicContact CB-CG2 4.21Å; S151-T154 VanDerWaalsContact CB-OG1 3.24Å; S151-T154 WeakPolarHBondContact CB-OG1 3.35Å; S151-T154 PolarHBondContact OG-N 3.28Å; S151-T154 PolarHBondContact OG-OG1 3.24Å; T154-E156 VanDerWaalsContact C-N 3.33Å; T154-E156 WeakPolarHBondContact OG1-CB 3.24Å; T154-E156 PolarHBondContact OG1-N 2.81Å
155	G	97.8	Very high	98	Very high	23 Å²	23	36 Å²	36	24%	0.237	19%	0.187	C	C	.	.			trans	86.7	-1.1	-170.8	0	0	0	0	0	114.2	Q27 S151 N157 V158	Q27-G155 VanDerWaalsContact NE2-CA 3.28Å; S151-G155 CarbonylContact O-C 3.42Å; S151-G155 VanDerWaalsContact O-CA 3.27Å; S151-G155 WeakPolarHBondContact O-CA 3.23Å; S151-G155 PolarHBondContact O-N 3.13Å; G155-N157 PolarHBondContact O-N 3.33Å; G155-V158 PolarHBondContact O-N 2.67Å
156	E	98.4	Very high	98	Very high	75 Å²	75	35.1 Å²	35.1	35%	0.35	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	125.6	-179.3	-170.7	-173.8	164.1	0	0	111.2	K123 T150 S151 T154 V158	K123-E156 IonicContact NZ-OE1 3.34Å; K123-E156 PolarHBondContact NZ-OE1 2.92Å; K123-E156 IonicContact NZ-OE2 2.67Å; T150-E156 VanDerWaalsContact CA-O 3.31Å; T150-E156 WeakPolarHBondContact CA-O 3.47Å; S151-E156 PolarHBondContact N-O 2.96Å; S151-E156 PolarHBondContact O-N 2.87Å; T154-E156 VanDerWaalsContact C-N 3.33Å; T154-E156 WeakPolarHBondContact OG1-CB 3.24Å; T154-E156 PolarHBondContact OG1-N 2.81Å; E156-V158 PolarHBondContact O-N 2.9Å
157	N	98.3	Very high	98.1	Very high	55 Å²	55	38 Å²	38	29%	0.294	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	8.1	179	-60	-35.7	0	0	0	116.1	E149 T150 G155 G161	E149-N157 WeakPolarHBondContact O-CB 3.23Å; E149-N157 PolarHBondContact O-ND2 2.8Å; T150-N157 HydrophobicContact CG2-CB 4.02Å; G155-N157 PolarHBondContact O-N 3.33Å; N157-G161 PolarHBondContact O-N 2.95Å
158	V	98.3	Very high	98	Very high	4 Å²	4	38 Å²	38	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-55.8	179.8	178	0	0	0	0	109.9	L24 Q27 F28 S151 G155 E156 E160 G161 F162	L24-V158 HydrophobicContact CD2-CB 4.37Å; L24-V158 HydrophobicContact CD2-CG1 4.11Å; L24-V158 HydrophobicContact CD2-CG2 3.62Å; Q27-V158 HydrophobicContact CB-CG1 4.09Å; Q27-V158 HydrophobicContact CG-CB 4.26Å; Q27-V158 HydrophobicContact CG-CG1 4.03Å; Q27-V158 HydrophobicContact CG-CG2 4.05Å; F28-V158 HydrophobicContact CB-CG1 3.96Å; S151-V158 VanDerWaalsContact O-CG2 3.29Å; S151-V158 WeakPolarHBondContact O-CG2 3.43Å; G155-V158 PolarHBondContact O-N 2.67Å; E156-V158 PolarHBondContact O-N 2.9Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 2.87Å; V158-G161 PolarHBondContact O-N 3.38Å; V158-F162 HydrophobicContact CG1-CE2 4.33Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å
159	E	97.6	Very high	97.9	Very high	88 Å²	88	36.8 Å²	36.8	41%	0.411	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-43.1	177.1	-178.4	162.2	-126.1	0	0	111.7	F28 R48 G161 F162 L163	F28-E159 HydrophobicContact CD2-CB 4.46Å; F28-E159 HydrophobicContact CE2-CG 4.27Å; R48-E159 IonicContact CZ-OE1 2.68Å; R48-E159 IonicContact NH1-OE1 3.11Å; R48-E159 PolarHBondContact NH1-OE1 3.05Å; R48-E159 IonicContact NH2-OE1 3.52Å; R48-E159 PolarHBondContact NH2-OE1 3.36Å; E159-G161 VanDerWaalsContact C-N 3.28Å; E159-G161 PolarHBondContact O-N 2.77Å; E159-F162 PolarHBondContact O-N 2.88Å; E159-F162 VanDerWaalsContact O-N 3.17Å; E159-L163 HydrophobicContact CG-CD1 3.66Å; E159-L163 HydrophobicContact CG-CG 3.92Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 2.84Å
160	E	97.9	Very high	97.8	Very high	74 Å²	74	36.8 Å²	36.8	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-58.3	-38.1	179.5	-171.4	60.2	-159.8	0	0	112.5	L148 V158 L163 K164	L148-E160 HydrophobicContact CD1-CG 4.48Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 2.87Å; E160-L163 PolarHBondContact O-N 2.94Å; E160-K164 HydrophobicContact CG-CD 3.95Å; E160-K164 HydrophobicContact CG-CG 4.29Å; E160-K164 VanDerWaalsContact O-CB 3.27Å; E160-K164 WeakPolarHBondContact O-CB 3.5Å; E160-K164 WeakPolarHBondContact O-CG 3.26Å; E160-K164 PolarHBondContact O-N 3.02Å; E160-K164 WeakPolarHBondContact OE1-CD 3.37Å; E160-K164 WeakPolarHBondContact OE1-CE 3.13Å; E160-K164 VanDerWaalsContact OE1-CG 3.31Å; E160-K164 WeakPolarHBondContact OE1-CG 3.28Å
161	G	98	Very high	97.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-47.8	175.8	0	0	0	0	0	113	N157 V158 E159 C165	N157-G161 PolarHBondContact O-N 2.95Å; V158-G161 PolarHBondContact O-N 3.38Å; E159-G161 VanDerWaalsContact C-N 3.28Å; E159-G161 PolarHBondContact O-N 2.77Å; G161-C165 PolarHBondContact O-N 2.9Å
162	F	98.3	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-43.1	177.7	-71.6	-82.3	0	0	0	112.1	F11 V13 F28 L59 I61 L85 V158 E159 C165 A166	F11-F162 HydrophobicContact CD2-CD1 4.05Å; F11-F162 HydrophobicContact CE2-CD1 4.39Å; V13-F162 HydrophobicContact CG2-CE1 4.31Å; V13-F162 HydrophobicContact CG2-CZ 4.28Å; F28-F162 HydrophobicContact CB-CD2 3.78Å; F28-F162 HydrophobicContact CB-CE2 3.52Å; F28-F162 HydrophobicContact CB-CZ 4.23Å; F28-F162 HydrophobicContact CD1-CD1 4.21Å; F28-F162 AromaticContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CD2 3.89Å; F28-F162 HydrophobicContact CD1-CE1 4.37Å; F28-F162 HydrophobicContact CD1-CE2 4.07Å; F28-F162 AromaticContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD1-CG 3.98Å; F28-F162 HydrophobicContact CD1-CZ 4.3Å; F28-F162 HydrophobicContact CD2-CB 4.04Å; F28-F162 AromaticContact CD2-CD2 3.43Å; F28-F162 HydrophobicContact CD2-CD2 3.43Å; F28-F162 VanDerWaalsContact CD2-CD2 3.43Å; F28-F162 HydrophobicContact CD2-CE2 4.11Å; F28-F162 AromaticContact CD2-CG 3.89Å; F28-F162 HydrophobicContact CD2-CG 3.89Å; F28-F162 HydrophobicContact CE1-CB 4.21Å; F28-F162 HydrophobicContact CE1-CD1 4.22Å; F28-F162 HydrophobicContact CE1-CD2 4.34Å; F28-F162 HydrophobicContact CE1-CG 4Å; F28-F162 HydrophobicContact CE2-CB 3.6Å; F28-F162 AromaticContact CE2-CD2 3.93Å; F28-F162 HydrophobicContact CE2-CD2 3.93Å; F28-F162 AromaticContact CE2-CG 3.92Å; F28-F162 HydrophobicContact CE2-CG 3.92Å; F28-F162 AromaticContact CG-CD2 3.39Å; F28-F162 HydrophobicContact CG-CD2 3.39Å; F28-F162 AromaticContact CG-CE2 3.63Å; F28-F162 HydrophobicContact CG-CE2 3.63Å; F28-F162 AromaticContact CG-CG 3.91Å; F28-F162 HydrophobicContact CG-CG 3.91Å; F28-F162 HydrophobicContact CG-CZ 4.29Å; F28-F162 HydrophobicContact CZ-CB 3.69Å; F28-F162 HydrophobicContact CZ-CD2 4.35Å; F28-F162 AromaticContact CZ-CG 3.96Å; F28-F162 HydrophobicContact CZ-CG 3.96Å; L59-F162 HydrophobicContact CD1-CB 4.31Å; I61-F162 HydrophobicContact CD1-CD1 4Å; I61-F162 HydrophobicContact CD1-CE1 3.78Å; I61-F162 HydrophobicContact CG1-CE1 4.4Å; I61-F162 HydrophobicContact CG2-CE1 4.11Å; L85-F162 HydrophobicContact CD1-CD1 3.7Å; L85-F162 HydrophobicContact CD1-CE1 3.68Å; L85-F162 HydrophobicContact CD1-CG 4.33Å; L85-F162 HydrophobicContact CD1-CZ 4.32Å; L85-F162 HydrophobicContact CD2-CD1 4.17Å; L85-F162 HydrophobicContact CD2-CD2 4.06Å; L85-F162 HydrophobicContact CD2-CE1 3.83Å; L85-F162 HydrophobicContact CD2-CE2 3.7Å; L85-F162 HydrophobicContact CD2-CG 4.28Å; L85-F162 HydrophobicContact CD2-CZ 3.58Å; L85-F162 HydrophobicContact CG-CE1 4.39Å; V158-F162 HydrophobicContact CG1-CE2 4.33Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å; E159-F162 PolarHBondContact O-N 2.88Å; E159-F162 VanDerWaalsContact O-N 3.17Å; F162-C165 PolarHBondContact O-N 2.9Å; F162-A166 PolarHBondContact O-N 3.36Å
163	L	98.1	Very high	97.2	Very high	29 Å²	29	44.6 Å²	44.6	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-68.2	-38.4	-178.7	-63.6	-173.7	0	0	0	112.4	V50 V52 E159 E160 A166 R167	V50-L163 HydrophobicContact CB-CD2 3.75Å; V50-L163 HydrophobicContact CG1-CD2 3.91Å; V50-L163 HydrophobicContact CG2-CD2 3.97Å; V52-L163 HydrophobicContact CG2-CD2 3.87Å; E159-L163 HydrophobicContact CG-CD1 3.66Å; E159-L163 HydrophobicContact CG-CG 3.92Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 2.84Å; E160-L163 PolarHBondContact O-N 2.94Å; L163-A166 PolarHBondContact O-N 2.92Å; L163-R167 VanDerWaalsContact O-CB 3.29Å; L163-R167 WeakPolarHBondContact O-CB 3.45Å; L163-R167 PolarHBondContact O-N 3.28Å
164	K	97.8	Very high	96.9	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-43	173.9	-82.8	177.9	176.4	-121.4	0	111.9	I117 L148 E160 R167 T168	I117-K164 HydrophobicContact CD1-CB 4.42Å; L148-K164 HydrophobicContact CD1-CD 3.98Å; L148-K164 HydrophobicContact CD2-CD 4.32Å; E160-K164 HydrophobicContact CG-CD 3.95Å; E160-K164 HydrophobicContact CG-CG 4.29Å; E160-K164 VanDerWaalsContact O-CB 3.27Å; E160-K164 WeakPolarHBondContact O-CB 3.5Å; E160-K164 WeakPolarHBondContact O-CG 3.26Å; E160-K164 PolarHBondContact O-N 3.02Å; E160-K164 WeakPolarHBondContact OE1-CD 3.37Å; E160-K164 WeakPolarHBondContact OE1-CE 3.13Å; E160-K164 VanDerWaalsContact OE1-CG 3.31Å; E160-K164 WeakPolarHBondContact OE1-CG 3.28Å; K164-R167 PolarHBondContact O-N 2.93Å; K164-T168 WeakPolarHBondContact O-CB 3.48Å; K164-T168 PolarHBondContact O-N 3.49Å; K164-T168 PolarHBondContact O-OG1 3.17Å; K164-T168 VanDerWaalsContact O-OG1 3.09Å
165	C	98.1	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-49.7	175.1	-167.2	0	0	0	0	111	F11 I117 G161 F162 R167 T168 I169	F11-C165 HydrophobicContact CE2-CB 3.63Å; F11-C165 HydrophobicContact CZ-CB 3.8Å; F11-C165 VanDerWaalsContact CZ-SG 3.59Å; I117-C165 HydrophobicContact CD1-CB 4.12Å; I117-C165 HydrophobicContact CG1-CB 3.61Å; G161-C165 PolarHBondContact O-N 2.9Å; F162-C165 PolarHBondContact O-N 2.9Å; C165-R167 PolarHBondContact O-N 3.25Å; C165-T168 PolarHBondContact O-N 3.46Å; C165-I169 WeakPolarHBondContact O-CG1 3.5Å; C165-I169 PolarHBondContact O-N 3.05Å; C165-I169 VanDerWaalsContact O-N 3.08Å
166	A	97.9	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-41.6	179.9	0	0	0	0	0	112.6	F9 F11 V52 L59 F162 L163 I169 L170	F9-A166 HydrophobicContact CD2-CB 4.29Å; F9-A166 HydrophobicContact CE2-CB 4.34Å; F11-A166 HydrophobicContact CZ-CB 4.07Å; V52-A166 HydrophobicContact CG2-CB 4.14Å; L59-A166 HydrophobicContact CD2-CB 4.12Å; F162-A166 PolarHBondContact O-N 3.36Å; L163-A166 PolarHBondContact O-N 2.92Å; A166-I169 PolarHBondContact O-N 3.05Å; A166-L170 PolarHBondContact O-N 3.26Å
167	R	97.7	Very high	95.9	Very high	123 Å²	123	49.4 Å²	49.4	46%	0.464	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-43.1	177.1	-173.5	174.9	-63.7	177.1	3.4	111.8	V52 L163 K164 C165 I169 L170 N171	V52-R167 HydrophobicContact CG1-CB 3.68Å; V52-R167 HydrophobicContact CG1-CG 4.2Å; L163-R167 VanDerWaalsContact O-CB 3.29Å; L163-R167 WeakPolarHBondContact O-CB 3.45Å; L163-R167 PolarHBondContact O-N 3.28Å; K164-R167 PolarHBondContact O-N 2.93Å; C165-R167 PolarHBondContact O-N 3.25Å; R167-I169 VanDerWaalsContact C-N 3.32Å; R167-I169 PolarHBondContact O-N 3.16Å; R167-L170 PolarHBondContact O-N 3.14Å; R167-N171 VanDerWaalsContact O-CG 3.23Å; R167-N171 PolarHBondContact O-N 3.18Å; R167-N171 PolarHBondContact O-OD1 3.16Å
168	T	97	Very high	95.4	Very high	33 Å²	33	48 Å²	48	20%	0.202	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-38.5	177.9	-63.8	0	0	0	0	111.6	V115 M146 K164 C165 N171 K172	V115-T168 HydrophobicContact CG1-CG2 3.69Å; V115-T168 HydrophobicContact CG2-CG2 4.08Å; M146-T168 HydrophobicContact CE-CG2 3.77Å; M146-T168 VanDerWaalsContact CE-OG1 3.28Å; M146-T168 WeakPolarHBondContact CE-OG1 3.24Å; K164-T168 WeakPolarHBondContact O-CB 3.48Å; K164-T168 PolarHBondContact O-N 3.49Å; K164-T168 PolarHBondContact O-OG1 3.17Å; K164-T168 VanDerWaalsContact O-OG1 3.09Å; C165-T168 PolarHBondContact O-N 3.46Å; T168-N171 PolarHBondContact O-N 3.4Å; T168-K172 WeakPolarHBondContact O-CG 3.23Å; T168-K172 PolarHBondContact O-N 2.73Å
169	I	96.5	Very high	94.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-47.1	173.6	-66.6	163.8	0	0	0	110.5	F9 F11 A82 V115 C165 A166 R167 N171 K172 I173 L178 I187	F9-I169 HydrophobicContact CD1-CG2 4.24Å; F9-I169 HydrophobicContact CD2-CB 4.44Å; F9-I169 HydrophobicContact CD2-CD1 4.34Å; F9-I169 HydrophobicContact CD2-CG2 4.21Å; F9-I169 HydrophobicContact CE1-CG2 3.87Å; F9-I169 HydrophobicContact CE2-CB 4.06Å; F9-I169 HydrophobicContact CE2-CG2 3.83Å; F9-I169 HydrophobicContact CG-CG2 4.43Å; F9-I169 HydrophobicContact CZ-CB 4.32Å; F9-I169 HydrophobicContact CZ-CG2 3.66Å; F11-I169 HydrophobicContact CD1-CD1 4.48Å; F11-I169 HydrophobicContact CE1-CD1 3.44Å; F11-I169 VanDerWaalsContact CE1-CD1 3.44Å; F11-I169 HydrophobicContact CZ-CD1 3.86Å; A82-I169 HydrophobicContact CB-CD1 3.98Å; V115-I169 HydrophobicContact CB-CD1 4.35Å; V115-I169 HydrophobicContact CB-CG1 3.82Å; V115-I169 HydrophobicContact CG1-CG1 4.37Å; V115-I169 HydrophobicContact CG2-CG1 3.63Å; C165-I169 WeakPolarHBondContact O-CG1 3.5Å; C165-I169 PolarHBondContact O-N 3.05Å; C165-I169 VanDerWaalsContact O-N 3.08Å; A166-I169 PolarHBondContact O-N 3.05Å; R167-I169 VanDerWaalsContact C-N 3.32Å; R167-I169 PolarHBondContact O-N 3.16Å; I169-N171 PolarHBondContact O-N 2.99Å; I169-K172 PolarHBondContact O-N 3.49Å; I169-I173 HydrophobicContact CG2-CD1 4.07Å; I169-I173 WeakPolarHBondContact O-CG1 3.38Å; I169-I173 PolarHBondContact O-N 2.96Å; I169-L178 HydrophobicContact CG2-CD1 4.28Å; I169-I187 HydrophobicContact CG2-CD1 3.87Å; I169-I187 HydrophobicContact CG2-CG1 4.24Å
170	L	95.9	Very high	94.3	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-47.1	176.2	-76.4	170.1	0	0	0	112.2	F7 F9 V52 K55 V57 A166 R167 K172 I173 D174	F7-L170 HydrophobicContact CD2-CD2 3.68Å; F7-L170 HydrophobicContact CE2-CD2 3.72Å; F7-L170 HydrophobicContact CG-CD2 4.31Å; F7-L170 HydrophobicContact CZ-CD2 4.38Å; F9-L170 HydrophobicContact CE2-CD2 4.37Å; F9-L170 HydrophobicContact CE2-CG 4.04Å; F9-L170 HydrophobicContact CZ-CD2 3.76Å; F9-L170 HydrophobicContact CZ-CG 3.88Å; V52-L170 HydrophobicContact CB-CD1 3.86Å; V52-L170 HydrophobicContact CG1-CD1 3.75Å; K55-L170 HydrophobicContact CB-CD1 4.32Å; V57-L170 HydrophobicContact CG2-CD1 4Å; V57-L170 HydrophobicContact CG2-CD2 4.49Å; A166-L170 PolarHBondContact O-N 3.26Å; R167-L170 PolarHBondContact O-N 3.14Å; L170-K172 VanDerWaalsContact C-N 3.26Å; L170-K172 PolarHBondContact O-N 2.95Å; L170-I173 WeakPolarHBondContact O-CA 3.39Å; L170-I173 WeakPolarHBondContact O-CB 3.38Å; L170-I173 PolarHBondContact O-N 3.49Å; L170-D174 PolarHBondContact O-N 2.69Å
171	N	95.5	Very high	93.7	Very high	93 Å²	93	52 Å²	52	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-38.5	178.4	-68.9	-9.5	0	0	0	112.1	R167 T168 I169 I173 D174 S175	R167-N171 VanDerWaalsContact O-CG 3.23Å; R167-N171 PolarHBondContact O-N 3.18Å; R167-N171 PolarHBondContact O-OD1 3.16Å; T168-N171 PolarHBondContact O-N 3.4Å; I169-N171 PolarHBondContact O-N 2.99Å; N171-I173 VanDerWaalsContact C-N 3.34Å; N171-D174 PolarHBondContact O-N 2.73Å; N171-S175 WeakPolarHBondContact O-CB 3.29Å; N171-S175 PolarHBondContact O-N 3.13Å; N171-S175 PolarHBondContact O-OG 2.78Å
172	K	94.3	Very high	93	Very high	57 Å²	57	59.3 Å²	59.3	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-29.4	175.8	-73.6	-171.3	173.6	-165.3	0	113.1	V115 T168 I169 L170 S175 G176 E177 L178	V115-K172 HydrophobicContact CG2-CD 4.06Å; T168-K172 WeakPolarHBondContact O-CG 3.23Å; T168-K172 PolarHBondContact O-N 2.73Å; I169-K172 PolarHBondContact O-N 3.49Å; L170-K172 VanDerWaalsContact C-N 3.26Å; L170-K172 PolarHBondContact O-N 2.95Å; K172-S175 PolarHBondContact O-OG 3.25Å; K172-G176 PolarHBondContact O-N 3.34Å; K172-E177 HydrophobicContact CB-CB 4.13Å; K172-E177 HydrophobicContact CG-CB 4.34Å; K172-E177 PolarHBondContact O-N 3.47Å; K172-L178 HydrophobicContact CB-CB 4.08Å; K172-L178 HydrophobicContact CB-CD1 3.72Å; K172-L178 HydrophobicContact CB-CG 3.75Å; K172-L178 HydrophobicContact CD-CD1 3.9Å; K172-L178 HydrophobicContact CD-CG 4.11Å; K172-L178 HydrophobicContact CG-CD1 4.46Å; K172-L178 PolarHBondContact O-N 3.47Å
173	I	92.8	Very high	92.1	Very high	21 Å²	21	67.6 Å²	67.6	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-48.1	171	-65.2	164.9	0	0	0	109.4	F7 F9 I169 L170 N171 S175 G176 L178 P180 I187	F7-I173 HydrophobicContact CD1-CD1 4.41Å; F7-I173 HydrophobicContact CE1-CD1 4.23Å; F9-I173 HydrophobicContact CE1-CD1 3.93Å; F9-I173 HydrophobicContact CZ-CD1 4.01Å; I169-I173 HydrophobicContact CG2-CD1 4.07Å; I169-I173 WeakPolarHBondContact O-CG1 3.38Å; I169-I173 PolarHBondContact O-N 2.96Å; L170-I173 WeakPolarHBondContact O-CA 3.39Å; L170-I173 WeakPolarHBondContact O-CB 3.38Å; L170-I173 PolarHBondContact O-N 3.49Å; N171-I173 VanDerWaalsContact C-N 3.34Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.13Å; I173-G176 PolarHBondContact O-N 3.19Å; I173-L178 WeakPolarHBondContact CA-O 2.83Å; I173-L178 HydrophobicContact CG1-CB 4.21Å; I173-P180 HydrophobicContact CD1-CG 4.18Å; I173-P180 HydrophobicContact CG1-CG 4.09Å; I173-P180 HydrophobicContact CG2-CG 3.76Å; I173-I187 HydrophobicContact CD1-CD1 3.98Å; I173-I187 HydrophobicContact CD1-CG2 4.12Å; I173-I187 HydrophobicContact CG1-CD1 4.18Å
174	D	92.2	Very high	91.2	Very high	121 Å²	121	68 Å²	68	65%	0.647	36%	0.355	S	S	*	.	H	α-helix	trans	-64.8	-32.5	-178.7	-69.3	-21.4	0	0	0	112.4	L170 N171 G176	L170-D174 PolarHBondContact O-N 2.69Å; N171-D174 PolarHBondContact O-N 2.73Å; D174-G176 VanDerWaalsContact C-N 3.33Å
175	S	93.3	Very high	90.4	Very high	70 Å²	70	65.5 Å²	65.5	49%	0.49	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.4	174.2	72.4	0	0	0	0	114.2	N171 K172 I173 E177	N171-S175 WeakPolarHBondContact O-CB 3.29Å; N171-S175 PolarHBondContact O-N 3.13Å; N171-S175 PolarHBondContact O-OG 2.78Å; K172-S175 PolarHBondContact O-OG 3.25Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.13Å; S175-E177 VanDerWaalsContact C-N 3.34Å; S175-E177 WeakPolarHBondContact OG-CG 3.46Å; S175-E177 PolarHBondContact OG-OE1 3.39Å; S175-E177 VanDerWaalsContact OG-OE1 3.12Å
176	G	89.4	Confident	89.7	Confident	62 Å²	62	66.2 Å²	66.2	64%	0.639	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	6.8	-175.9	0	0	0	0	0	115.1	K172 I173 D174 L178	K172-G176 PolarHBondContact O-N 3.34Å; I173-G176 PolarHBondContact O-N 3.19Å; D174-G176 VanDerWaalsContact C-N 3.33Å; G176-L178 VanDerWaalsContact C-N 3.35Å
177	E	89.3	Confident	89.3	Confident	120 Å²	120	66.6 Å²	66.6	56%	0.561	36%	0.356	S	S	*	.	S	Bend	trans	-69.2	-32	173.6	-75.1	171.1	-133.8	0	0	112.9	K172 S175	K172-E177 HydrophobicContact CB-CB 4.13Å; K172-E177 HydrophobicContact CG-CB 4.34Å; K172-E177 PolarHBondContact O-N 3.47Å; S175-E177 VanDerWaalsContact C-N 3.34Å; S175-E177 WeakPolarHBondContact OG-CG 3.46Å; S175-E177 PolarHBondContact OG-OE1 3.39Å; S175-E177 VanDerWaalsContact OG-OE1 3.12Å
178	L	88	Confident	88.8	Confident	25 Å²	25	66.2 Å²	66.2	13%	0.131	36%	0.36	C	S	.	.	S	Bend	trans	-117.5	119.1	174.3	-72.1	-179.6	0	0	0	110	N113 I169 K172 I173 G176 P180 I187	N113-L178 HydrophobicContact CB-CD2 4.08Å; I169-L178 HydrophobicContact CG2-CD1 4.28Å; K172-L178 HydrophobicContact CB-CB 4.08Å; K172-L178 HydrophobicContact CB-CD1 3.72Å; K172-L178 HydrophobicContact CB-CG 3.75Å; K172-L178 HydrophobicContact CD-CD1 3.9Å; K172-L178 HydrophobicContact CD-CG 4.11Å; K172-L178 HydrophobicContact CG-CD1 4.46Å; K172-L178 PolarHBondContact O-N 3.47Å; I173-L178 WeakPolarHBondContact CA-O 2.83Å; I173-L178 HydrophobicContact CG1-CB 4.21Å; G176-L178 VanDerWaalsContact C-N 3.35Å; L178-P180 WeakPolarHBondContact O-CD 3.42Å; L178-I187 HydrophobicContact CB-CD1 4.45Å; L178-I187 HydrophobicContact CD1-CD1 4.38Å
179	D	86.9	Confident	88.4	Confident	85 Å²	85	68 Å²	68	46%	0.455	36%	0.363	S	S	.	.			trans	-91.4	116.1	171.2	177.2	8.3	0	0	0	110.1	E181 R182	D179-E181 PolarHBondContact O-N 3.24Å; D179-E181 PolarHBondContact OD1-N 3.35Å; D179-R182 HydrophobicContact CB-CB 4.15Å; D179-R182 WeakPolarHBondContact O-CB 3.11Å; D179-R182 PolarHBondContact O-N 3.1Å
180	P	85.8	Confident	87.6	Confident	11 Å²	11	68.1 Å²	68.1	7%	0.071	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.8	174	-29.3	39.4	0	0	0	114.2	I173 L178 R182 S185 I187 Y189	I173-P180 HydrophobicContact CD1-CG 4.18Å; I173-P180 HydrophobicContact CG1-CG 4.09Å; I173-P180 HydrophobicContact CG2-CG 3.76Å; L178-P180 WeakPolarHBondContact O-CD 3.42Å; P180-R182 VanDerWaalsContact C-N 3.31Å; P180-R182 PolarHBondContact O-N 3.15Å; P180-S185 PolarHBondContact O-OG 2.87Å; P180-I187 HydrophobicContact CB-CB 4.36Å; P180-I187 HydrophobicContact CB-CG2 3.77Å; P180-I187 HydrophobicContact CG-CG2 4.13Å; P180-Y189 HydrophobicContact CB-CD2 4.46Å; P180-Y189 HydrophobicContact CB-CE2 3.78Å; P180-Y189 HydrophobicContact CG-CE1 4.49Å; P180-Y189 HydrophobicContact CG-CE2 4.39Å
181	E	84.4	Confident	86.7	Confident	153 Å²	153	71.2 Å²	71.2	72%	0.715	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.2	-175.8	-59.3	-166.6	158.7	0	0	113	D179 M183 Y189	D179-E181 PolarHBondContact O-N 3.24Å; D179-E181 PolarHBondContact OD1-N 3.35Å; E181-M183 PolarHBondContact O-N 2.98Å; E181-Y189 HydrophobicContact CG-CE2 4.13Å
182	R	84.1	Confident	85.4	Confident	156 Å²	156	68 Å²	68	59%	0.589	37%	0.366	S	S	*	.	S	Bend	trans	-60.4	125.6	176.8	-176.2	177.7	176.7	179.9	-0.2	110.4	D179 P180 G184 S185	D179-R182 HydrophobicContact CB-CB 4.15Å; D179-R182 WeakPolarHBondContact O-CB 3.11Å; D179-R182 PolarHBondContact O-N 3.1Å; P180-R182 VanDerWaalsContact C-N 3.31Å; P180-R182 PolarHBondContact O-N 3.15Å; R182-G184 PolarHBondContact O-N 3.07Å; R182-G184 VanDerWaalsContact O-N 3.16Å; R182-S185 VanDerWaalsContact O-CB 3.23Å; R182-S185 WeakPolarHBondContact O-CB 3.06Å; R182-S185 PolarHBondContact O-N 3.33Å; R182-S185 PolarHBondContact O-OG 3.3Å
183	M	78.9	Confident	84.1	Confident	174 Å²	174	65.6 Å²	65.6	86%	0.857	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.9	177.5	-168.3	-171.1	-66.3	0	0	110.7	E181	E181-M183 PolarHBondContact O-N 2.98Å
184	G	78.6	Confident	82.8	Confident	38 Å²	38	67.8 Å²	67.8	39%	0.392	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	15.1	-178.1	0	0	0	0	0	115.1	G80 R182 G186	G80-G184 WeakPolarHBondContact CA-O 3.39Å; R182-G184 PolarHBondContact O-N 3.07Å; R182-G184 VanDerWaalsContact O-N 3.16Å; G184-G186 PolarHBondContact O-N 3.26Å
185	S	82.5	Confident	81.4	Confident	25 Å²	25	70.3 Å²	70.3	18%	0.175	37%	0.369	C	S	.	.			trans	-62.2	-27.7	172.6	63.2	0	0	0	0	113.3	A82 P180 R182 I187	A82-S185 WeakPolarHBondContact CB-O 3.48Å; P180-S185 PolarHBondContact O-OG 2.87Å; R182-S185 VanDerWaalsContact O-CB 3.23Å; R182-S185 WeakPolarHBondContact O-CB 3.06Å; R182-S185 PolarHBondContact O-N 3.33Å; R182-S185 PolarHBondContact O-OG 3.3Å; S185-I187 PolarHBondContact O-N 3.16Å; S185-I187 PolarHBondContact OG-N 3.46Å; S185-I187 VanDerWaalsContact OG-N 3.16Å; S185-I187 PolarHBondContact OG-O 2.97Å
186	G	82.6	Confident	79.8	Confident	14 Å²	14	72.9 Å²	72.9	14%	0.144	37%	0.373	C	S	.	.	S	Bend	trans	74.1	12.4	-171.2	0	0	0	0	0	114.5	K10 G80 G184	K10-G186 PolarHBondContact N-O 2.76Å; G80-G186 WeakPolarHBondContact O-CA 3.19Å; G184-G186 PolarHBondContact O-N 3.26Å
187	I	89.3	Confident	78.4	Confident	9 Å²	9	75.2 Å²	75.2	5%	0.046	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.9	-178.9	-59.7	160.2	0	0	0	107.8	F7 L8 F9 A82 I169 I173 L178 P180 S185	F7-I187 HydrophobicContact CD1-CG2 4.2Å; L8-I187 WeakPolarHBondContact O-CA 3.24Å; F9-I187 HydrophobicContact CD1-CB 4.27Å; F9-I187 HydrophobicContact CD1-CG1 3.89Å; F9-I187 HydrophobicContact CD1-CG2 3.89Å; F9-I187 HydrophobicContact CE1-CB 4.41Å; F9-I187 HydrophobicContact CE1-CG1 4.07Å; F9-I187 HydrophobicContact CE1-CG2 3.66Å; A82-I187 HydrophobicContact CB-CD1 4.41Å; A82-I187 HydrophobicContact CB-CG1 3.78Å; I169-I187 HydrophobicContact CG2-CD1 3.87Å; I169-I187 HydrophobicContact CG2-CG1 4.24Å; I173-I187 HydrophobicContact CD1-CD1 3.98Å; I173-I187 HydrophobicContact CD1-CG2 4.12Å; I173-I187 HydrophobicContact CG1-CD1 4.18Å; L178-I187 HydrophobicContact CB-CD1 4.45Å; L178-I187 HydrophobicContact CD1-CD1 4.38Å; P180-I187 HydrophobicContact CB-CB 4.36Å; P180-I187 HydrophobicContact CB-CG2 3.77Å; P180-I187 HydrophobicContact CG-CG2 4.13Å; S185-I187 PolarHBondContact O-N 3.16Å; S185-I187 PolarHBondContact OG-N 3.46Å; S185-I187 VanDerWaalsContact OG-N 3.16Å; S185-I187 PolarHBondContact OG-O 2.97Å
188	Q	88.4	Confident	76.9	Confident	115 Å²	115	79.4 Å²	79.4	54%	0.537	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.6	172.9	-58.7	176.5	4.1	0	0	109.7	F7 L8	F7-Q188 CarbonylContact C-O 3.58Å; F7-Q188 WeakPolarHBondContact CA-O 3.31Å; L8-Q188 HydrophobicContact CB-CB 4.26Å; L8-Q188 HydrophobicContact CD2-CB 4.43Å; L8-Q188 HydrophobicContact CD2-CG 4.37Å; L8-Q188 PolarHBondContact N-O 2.86Å; L8-Q188 PolarHBondContact O-N 3.17Å
189	Y	87.3	Confident	74.9	Confident	71 Å²	71	85 Å²	85	28%	0.278	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.2	167.3	-69.3	-70.1	0	0	0	109.8	F7 P180 E181	F7-Y189 HydrophobicContact CD1-CD1 4.15Å; F7-Y189 HydrophobicContact CD1-CE1 4.32Å; F7-Y189 AromaticContact CE1-CD1 3.73Å; F7-Y189 HydrophobicContact CE1-CD1 3.73Å; F7-Y189 AromaticContact CE1-CE1 3.49Å; F7-Y189 HydrophobicContact CE1-CE1 3.49Å; F7-Y189 VanDerWaalsContact CE1-CE1 3.49Å; F7-Y189 HydrophobicContact CZ-CD1 4.44Å; F7-Y189 HydrophobicContact CZ-CE1 4.1Å; P180-Y189 HydrophobicContact CB-CD2 4.46Å; P180-Y189 HydrophobicContact CB-CE2 3.78Å; P180-Y189 HydrophobicContact CG-CE1 4.49Å; P180-Y189 HydrophobicContact CG-CE2 4.39Å; E181-Y189 HydrophobicContact CG-CE2 4.13Å
190	G	80.2	Confident	72.9	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.01	42%	0.422	C	S	.	.			trans	-83.8	173.4	171	0	0	0	0	0	112.8	Y5 D6 A192 S193 L194	Y5-G190 CarbonylContact O-C 3.58Å; Y5-G190 VanDerWaalsContact O-CA 3.23Å; Y5-G190 WeakPolarHBondContact O-CA 3.13Å; D6-G190 PolarHBondContact O-N 3.19Å; G190-A192 PolarHBondContact O-N 3.49Å; G190-A192 VanDerWaalsContact O-N 3.13Å; G190-S193 PolarHBondContact O-N 2.78Å; G190-S193 VanDerWaalsContact O-N 3.17Å; G190-L194 WeakPolarHBondContact O-CG 3.28Å; G190-L194 PolarHBondContact O-N 3.06Å
191	D	76.2	Confident	71.1	Confident	75 Å²	75	97.8 Å²	97.8	40%	0.401	46%	0.463	S	S	.	.	H	α-helix	trans	-56.6	-31	-176.2	-66.7	-36.2	0	0	0	113.4	R195	D191-R195 VanDerWaalsContact O-CG 3.28Å; D191-R195 WeakPolarHBondContact O-CG 3.33Å; D191-R195 PolarHBondContact O-N 3.23Å
192	A	68.8	Low	69.2	Low	24 Å²	24	93.6 Å²	93.6	20%	0.198	46%	0.46	C	S	.	.	H	α-helix	trans	-70.4	-46	179	0	0	0	0	0	112	Y5 G190 R195 Q196	Y5-A192 WeakPolarHBondContact O-CB 3.26Å; Y5-A192 PolarHBondContact O-N 3.24Å; G190-A192 PolarHBondContact O-N 3.49Å; G190-A192 VanDerWaalsContact O-N 3.13Å; A192-R195 PolarHBondContact O-N 3.37Å; A192-Q196 PolarHBondContact O-N 2.76Å
193	S	67.8	Low	66.9	Low	8 Å²	8	92.4 Å²	92.4	6%	0.056	47%	0.47	C	S	.	.	H	α-helix	trans	-66.1	-40	177.2	-65.8	0	0	0	0	112.2	D6 G190 R195 Q196 L197	D6-S193 VanDerWaalsContact C-OG 3.25Å; D6-S193 WeakPolarHBondContact CA-OG 3.49Å; D6-S193 WeakPolarHBondContact CB-OG 3.32Å; D6-S193 VanDerWaalsContact O-CB 3.32Å; D6-S193 WeakPolarHBondContact O-CB 3.38Å; D6-S193 PolarHBondContact O-OG 3.32Å; G190-S193 PolarHBondContact O-N 2.78Å; G190-S193 VanDerWaalsContact O-N 3.17Å; S193-R195 VanDerWaalsContact C-N 3.26Å; S193-R195 PolarHBondContact O-N 3.44Å; S193-Q196 PolarHBondContact O-N 3.17Å; S193-Q196 VanDerWaalsContact O-N 3.15Å; S193-L197 PolarHBondContact O-N 3.19Å
194	L	64.8	Low	65.1	Low	66 Å²	66	90.6 Å²	90.6	35%	0.346	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-34.3	176.2	-70	174.2	0	0	0	112.1	G190 R198	G190-L194 WeakPolarHBondContact O-CG 3.28Å; G190-L194 PolarHBondContact O-N 3.06Å; L194-R198 WeakPolarHBondContact O-CB 3.38Å; L194-R198 VanDerWaalsContact O-CG 3.24Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.02Å; L194-R198 VanDerWaalsContact O-N 3.1Å
195	R	61.8	Low	63.1	Low	174 Å²	174	94.8 Å²	94.8	66%	0.657	49%	0.488	S	S	*	.	H	α-helix	trans	-67.8	-38.4	174.2	-74	172.7	-174.1	-169.5	2.9	112.3	D191 A192 S193 R198 Q199	D191-R195 VanDerWaalsContact O-CG 3.28Å; D191-R195 WeakPolarHBondContact O-CG 3.33Å; D191-R195 PolarHBondContact O-N 3.23Å; A192-R195 PolarHBondContact O-N 3.37Å; S193-R195 VanDerWaalsContact C-N 3.26Å; S193-R195 PolarHBondContact O-N 3.44Å; R195-R198 PolarHBondContact O-N 3.21Å; R195-Q199 PolarHBondContact O-N 3.02Å
196	Q	61	Low	61.1	Low	124 Å²	124	101.5 Å²	101.5	58%	0.579	52%	0.516	S	S	*	.	H	α-helix	trans	-68.6	-39.4	176.2	-71.7	179.9	2.5	0	0	112.2	A192 S193 R198 Q199	A192-Q196 PolarHBondContact O-N 2.76Å; S193-Q196 PolarHBondContact O-N 3.17Å; S193-Q196 VanDerWaalsContact O-N 3.15Å; Q196-R198 VanDerWaalsContact C-N 3.32Å; Q196-R198 PolarHBondContact O-N 3.31Å; Q196-Q199 PolarHBondContact O-N 3.36Å
197	L	60.6	Low	59	Low	111 Å²	111	108.6 Å²	108.6	58%	0.581	55%	0.551	S	S	*	*	H	α-helix	trans	-67	-31.8	175.9	-73.8	164.4	0	0	0	113	S193	S193-L197 PolarHBondContact O-N 3.19Å
198	R	56.8	Low	56.8	Low	209 Å²	209	117.2 Å²	117.2	79%	0.789	59%	0.588	S	S	*	*	H	α-helix	trans	-80.6	-11.4	178.8	-74.7	178.4	-179.5	-162	1.9	114.3	L194 R195 Q196 P200	L194-R198 WeakPolarHBondContact O-CB 3.38Å; L194-R198 VanDerWaalsContact O-CG 3.24Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.02Å; L194-R198 VanDerWaalsContact O-N 3.1Å; R195-R198 PolarHBondContact O-N 3.21Å; Q196-R198 VanDerWaalsContact C-N 3.32Å; Q196-R198 PolarHBondContact O-N 3.31Å; R198-P200 WeakPolarHBondContact O-CD 3.12Å
199	Q	46.9	Very low	54.7	Low	143 Å²	143	120.5 Å²	120.5	67%	0.668	60%	0.603	S	S	*	*	S	Bend	trans	-75.6	119.8	169.7	-74.5	-176.7	7.3	0	0	108.2	R195 Q196 R201	R195-Q199 PolarHBondContact O-N 3.02Å; Q196-Q199 PolarHBondContact O-N 3.36Å; Q199-R201 PolarHBondContact O-N 3.2Å
200	P	43.8	Very low	52.5	Low	118 Å²	118	126.5 Å²	126.5	77%	0.766	63%	0.634	S	S	*	*			trans	-56.5	132	171.6	-7.6	18.4	0	0	0	107.2	R198 G202	R198-P200 WeakPolarHBondContact O-CD 3.12Å; P200-G202 VanDerWaalsContact C-N 3.34Å; P200-G202 PolarHBondContact O-N 3.44Å
201	R	48.4	Very low	50.8	Low	246 Å²	246	132.3 Å²	132.3	93%	0.928	67%	0.673	S	S	*	*			trans	-50.7	105.2	168.7	-76.1	-176.1	177	-176.4	-0.4	106.9	Q199 T203	Q199-R201 PolarHBondContact O-N 3.2Å; R201-T203 PolarHBondContact O-N 3.01Å; R201-T203 VanDerWaalsContact O-N 3.13Å
202	G	43.4	Very low	49.3	Very low	65 Å²	65	136.3 Å²	136.3	67%	0.67	69%	0.694	S	S	*	*			trans	-52.4	122.9	-179.5	0	0	0	0	0	108	P200 T204	P200-G202 VanDerWaalsContact C-N 3.34Å; P200-G202 PolarHBondContact O-N 3.44Å; G202-T204 PolarHBondContact O-N 3.28Å
203	T	37.4	Very low	48.3	Very low	130 Å²	130	145 Å²	145	80%	0.798	75%	0.751	S	S	*	*			trans	-46.8	114.5	171.7	31	0	0	0	0	108.8	R201 T205	R201-T203 PolarHBondContact O-N 3.01Å; R201-T203 VanDerWaalsContact O-N 3.13Å; T203-T205 VanDerWaalsContact C-N 3.3Å; T203-T205 PolarHBondContact O-N 2.87Å; T203-T205 PolarHBondContact O-OG1 3.39Å
204	T	39.6	Very low	47.3	Very low	137 Å²	137	151.9 Å²	151.9	84%	0.84	79%	0.786	S	S	*	*			trans	-58.2	99.5	168.5	-35.7	0	0	0	0	106.4	G202 Q206	G202-T204 PolarHBondContact O-N 3.28Å; T204-Q206 PolarHBondContact O-N 2.94Å
205	T	38	Very low	46.4	Very low	126 Å²	126	156.4 Å²	156.4	77%	0.773	81%	0.809	S	S	*	*			trans	-68.9	102.5	174.9	-34.1	0	0	0	0	105.5	T203 N207	T203-T205 VanDerWaalsContact C-N 3.3Å; T203-T205 PolarHBondContact O-N 2.87Å; T203-T205 PolarHBondContact O-OG1 3.39Å; T205-N207 PolarHBondContact O-N 3.14Å
206	Q	39.7	Very low	45.5	Very low	165 Å²	165	155.4 Å²	155.4	77%	0.771	82%	0.818	S	S	*	*			trans	-54.2	115.2	168.2	-78.2	179.7	-13.9	0	0	107.5	T204 K208	T204-Q206 PolarHBondContact O-N 2.94Å; Q206-K208 VanDerWaalsContact C-N 3.27Å; Q206-K208 PolarHBondContact O-N 3.24Å
207	N	38.9	Very low	44.6	Very low	164 Å²	164	157.2 Å²	157.2	88%	0.877	83%	0.832	S	S	*	*			trans	-57	95	161.4	-100.9	-14.5	0	0	0	107.5	T205 Q209	T205-N207 PolarHBondContact O-N 3.14Å; N207-Q209 PolarHBondContact O-N 2.96Å; N207-Q209 VanDerWaalsContact O-N 3.13Å
208	K	42.4	Very low	43.6	Very low	190 Å²	190	160.1 Å²	160.1	83%	0.826	85%	0.848	S	S	*	*			trans	-70.6	103.3	160.2	-92.8	-175.3	174.3	-179.9	0	106.7	Q206 Q210	Q206-K208 VanDerWaalsContact C-N 3.27Å; Q206-K208 PolarHBondContact O-N 3.24Å; K208-Q210 PolarHBondContact O-N 3.16Å; K208-Q210 VanDerWaalsContact O-N 3.15Å
209	Q	45.9	Very low	42.7	Very low	184 Å²	184	156.9 Å²	156.9	86%	0.86	85%	0.852	S	S	*	*			trans	-43.9	116.8	157.2	-82.8	168.8	-29.7	0	0	108.9	N207 C211	N207-Q209 PolarHBondContact O-N 2.96Å; N207-Q209 VanDerWaalsContact O-N 3.13Å; Q209-C211 PolarHBondContact O-N 3.39Å
210	Q	40.8	Very low	42.4	Very low	196 Å²	196	157.9 Å²	157.9	92%	0.916	87%	0.865	S	S	*	*			trans	-73.8	105.2	163.8	-114.4	171.6	-2.2	0	0	107	K208	K208-Q210 PolarHBondContact O-N 3.16Å; K208-Q210 VanDerWaalsContact O-N 3.15Å
211	C	43.5	Very low	42.3	Very low	123 Å²	123	160.9 Å²	160.9	83%	0.831	87%	0.872	S	S	*	*			trans	-75.4	133	161.8	-90.3	0	0	0	0	109.2	Q209	Q209-C211 PolarHBondContact O-N 3.39Å
212	N	45	Very low	41.8	Very low	159 Å²	159	153.8 Å²	153.8	85%	0.85	87%	0.868	S	S	*	*			trans	-59	138.4	167.8	-84.1	-13.3	0	0	0	112
213	C	47.4	Very low	41.7	Very low	207 Å²	207	161.9 Å²	161.9	100%	1.399	89%	0.886	S	S	*	*			trans	-146.7	0	139.2	-84.2	0	0	0	0	107.4

Retrieved 213 of 213 residues in 363.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).