RAN_PLAFA Loading...

GTP-binding nuclear protein Ran

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle (By similarity).

AlphaFold DB (Q7KQK6), UniProt , Accession P38545, Species PLAFA (Plasmodium falciparum), Gene n/a, Length 214 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	79.6	Confident	240 Å²	240	114.5 Å²	114.5	100%	1.182	57%	0.566	S	S	*	*				0	109.4	0	-71.6	176.7	-176.9	0	0	105.5	S3	M1-S3 PolarHBondContact O-N 2.92Å
2	D	51.1	Low	81.2	Confident	166 Å²	166	104.9 Å²	104.9	89%	0.888	52%	0.519	S	S	*	.			trans	-62.1	106.1	175.7	-68.9	-27	0	0	0	107.7	Q4	D2-Q4 VanDerWaalsContact C-N 3.33Å; D2-Q4 PolarHBondContact O-N 2.96Å
3	S	58.7	Low	82.4	Confident	113 Å²	113	96.8 Å²	96.8	79%	0.79	48%	0.479	S	S	*	.			trans	-62.6	100.4	168.6	52.3	0	0	0	0	106.6	M1 E5	M1-S3 PolarHBondContact O-N 2.92Å; S3-E5 PolarHBondContact O-N 2.97Å
4	Q	69.9	Low	83.5	Confident	189 Å²	189	89.9 Å²	89.9	88%	0.883	45%	0.445	S	S	*	.			trans	-55.9	111.9	171.1	-83.2	-179.6	-11.4	0	0	107.6	D2 Y6	D2-Q4 VanDerWaalsContact C-N 3.33Å; D2-Q4 PolarHBondContact O-N 2.96Å; Q4-Y6 PolarHBondContact O-N 3.22Å; Q4-Y6 VanDerWaalsContact O-N 3.15Å
5	E	79.6	Confident	84.3	Confident	110 Å²	110	83.9 Å²	83.9	51%	0.514	42%	0.415	S	S	.	.			trans	-50.8	118.7	174.6	-174.5	-174.9	-172.9	0	0	108.5	S3 I7 K57	S3-E5 PolarHBondContact O-N 2.97Å; E5-I7 PolarHBondContact O-N 3.15Å; E5-K57 IonicContact OE2-NZ 2.78Å; E5-K57 PolarHBondContact OE2-NZ 2.81Å
6	Y	88.9	Confident	85	Confident	196 Å²	196	78.7 Å²	78.7	77%	0.769	39%	0.389	S	S	*	.			trans	-65.1	119.4	175	173.7	-97.1	0	0	0	108.9	Q4 P8	Q4-Y6 PolarHBondContact O-N 3.22Å; Q4-Y6 VanDerWaalsContact O-N 3.15Å; Y6-P8 HydrophobicContact CD1-CG 4.41Å; Y6-P8 HydrophobicContact CE1-CG 4.07Å
7	I	94.7	Very high	85.6	Confident	32 Å²	32	75.5 Å²	75.5	16%	0.164	37%	0.374	C	S	.	.			trans	-102.7	114.6	176.4	-57.5	178.5	0	0	0	107.5	E5 Q9 K57 Q59	E5-I7 PolarHBondContact O-N 3.15Å; I7-Q9 VanDerWaalsContact O-CG 3.29Å; I7-Q9 WeakPolarHBondContact O-CG 3.29Å; I7-Q9 PolarHBondContact O-N 2.78Å; I7-K57 HydrophobicContact CD1-CB 4.16Å; I7-K57 HydrophobicContact CD1-CD 3.84Å; I7-K57 HydrophobicContact CG1-CB 4.08Å; I7-K57 HydrophobicContact CG1-CD 4.35Å; I7-K57 HydrophobicContact CG2-CB 3.95Å; I7-Q59 HydrophobicContact CG2-CB 4.15Å
8	P	96.3	Very high	86	Confident	42 Å²	42	72.3 Å²	72.3	27%	0.273	36%	0.364	S	S	.	.			trans	-52.5	130.1	169.7	-25.9	33.9	0	0	0	111.1	Y6 Y10 K57 Q59	Y6-P8 HydrophobicContact CD1-CG 4.41Å; Y6-P8 HydrophobicContact CE1-CG 4.07Å; P8-Y10 HydrophobicContact CB-CE2 4.14Å; P8-K57 WeakPolarHBondContact CD-O 3.29Å; P8-Q59 PolarHBondContact O-N 2.85Å
9	Q	97.5	Very high	86.4	Confident	105 Å²	105	69.8 Å²	69.8	49%	0.491	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.6	179.7	-50.1	-170.7	31.8	0	0	110.4	I7 Q59 N61	I7-Q9 VanDerWaalsContact O-CG 3.29Å; I7-Q9 WeakPolarHBondContact O-CG 3.29Å; I7-Q9 PolarHBondContact O-N 2.78Å; Q9-Q59 CarbonylContact C-O 3.55Å; Q9-Q59 VanDerWaalsContact CA-O 3.3Å; Q9-Q59 WeakPolarHBondContact CA-O 3.34Å; Q9-Q59 HydrophobicContact CG-CB 4.21Å; Q9-N61 PolarHBondContact OE1-ND2 2.98Å; Q9-N61 VanDerWaalsContact OE1-ND2 3.08Å
10	Y	98.3	Very high	86.9	Confident	36 Å²	36	66.4 Å²	66.4	14%	0.141	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.8	-179.7	-55.3	-72.9	0	0	0	110.3	P8 L12 T58 Q59 F60 N61 D83 L167	P8-Y10 HydrophobicContact CB-CE2 4.14Å; Y10-L12 PolarHBondContact O-N 2.75Å; Y10-T58 WeakPolarHBondContact CE2-OG1 3.19Å; Y10-Q59 PolarHBondContact N-O 3.07Å; Y10-F60 HydrophobicContact CD2-CE1 4.25Å; Y10-F60 HydrophobicContact CG-CE1 4.5Å; Y10-F60 CarbonylContact O-C 3.59Å; Y10-F60 WeakPolarHBondContact O-CA 3.5Å; Y10-N61 PolarHBondContact O-N 3.04Å; Y10-D83 VanDerWaalsContact CA-OD2 3.31Å; Y10-D83 WeakPolarHBondContact CA-OD2 3.09Å; Y10-D83 HydrophobicContact CD1-CB 4.21Å; Y10-L167 HydrophobicContact CD1-CB 4.03Å; Y10-L167 HydrophobicContact CD1-CD1 3.87Å; Y10-L167 HydrophobicContact CD1-CD2 4.25Å; Y10-L167 HydrophobicContact CD1-CG 4.28Å; Y10-L167 HydrophobicContact CD2-CD1 4.06Å; Y10-L167 HydrophobicContact CE1-CB 3.67Å; Y10-L167 HydrophobicContact CE1-CD1 4.37Å; Y10-L167 HydrophobicContact CE1-CD2 4.49Å; Y10-L167 HydrophobicContact CE1-CG 4.4Å; Y10-L167 HydrophobicContact CE2-CB 4.19Å; Y10-L167 HydrophobicContact CG-CB 4.43Å; Y10-L167 HydrophobicContact CG-CD1 3.69Å
11	K	98.1	Very high	87.3	Confident	30 Å²	30	63.8 Å²	63.8	13%	0.13	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	116.1	168.3	177.9	170.6	171.7	178	0	109.1	W63 Y78 I80 S82 D83 C84	K11-W63 HydrophobicContact CD-CZ2 4.33Å; K11-Y78 WeakPolarHBondContact CE-O 3.3Å; K11-Y78 PolarHBondContact NZ-O 3.34Å; K11-I80 PolarHBondContact NZ-O 3.18Å; K11-S82 WeakPolarHBondContact CE-OG 3.47Å; K11-D83 PolarHBondContact N-OD2 3.38Å; K11-D83 PolarHBondContact O-N 2.82Å; K11-C84 PolarHBondContact O-N 3.08Å
12	L	98.4	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.5	175.7	-174.3	154.5	0	0	0	109.2	Y10 L14 F60 N61 V62 W63 C84 I86 F160 L163	Y10-L12 PolarHBondContact O-N 2.75Å; L12-L14 HydrophobicContact CD2-CB 4.16Å; L12-F60 HydrophobicContact CB-CB 4.4Å; L12-F60 HydrophobicContact CB-CD1 4.06Å; L12-F60 HydrophobicContact CD1-CB 4.49Å; L12-F60 HydrophobicContact CD1-CD1 3.74Å; L12-F60 HydrophobicContact CD1-CE1 4.21Å; L12-F60 HydrophobicContact CD1-CG 4.22Å; L12-N61 PolarHBondContact N-O 3.25Å; L12-V62 HydrophobicContact CB-CG2 4.37Å; L12-V62 HydrophobicContact CD2-CB 4.49Å; L12-V62 HydrophobicContact CD2-CG1 3.88Å; L12-V62 HydrophobicContact CD2-CG2 4.23Å; L12-V62 CarbonylContact O-C 3.53Å; L12-V62 WeakPolarHBondContact O-CA 2.83Å; L12-W63 PolarHBondContact O-N 3.44Å; L12-C84 WeakPolarHBondContact CA-O 3.14Å; L12-I86 HydrophobicContact CD1-CD1 3.96Å; L12-I86 HydrophobicContact CD1-CG1 4.21Å; L12-I86 HydrophobicContact CD2-CB 4.43Å; L12-I86 HydrophobicContact CD2-CD1 4.1Å; L12-I86 HydrophobicContact CD2-CG1 4.13Å; L12-I86 HydrophobicContact CG-CG1 4.5Å; L12-F160 HydrophobicContact CD1-CD1 4.07Å; L12-F160 HydrophobicContact CD1-CE1 3.78Å; L12-L163 HydrophobicContact CD1-CD1 3.53Å; L12-L163 HydrophobicContact CG-CD1 4.44Å
13	I	96.8	Very high	91.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.9	170.5	52.1	171.9	0	0	0	110.4	W63 Y79 S82 C84 A85 I86 I107	I13-W63 HydrophobicContact CG2-CB 4.13Å; I13-Y79 HydrophobicContact CB-CD1 4.39Å; I13-Y79 HydrophobicContact CD1-CD1 3.53Å; I13-Y79 HydrophobicContact CD1-CE1 4.11Å; I13-Y79 HydrophobicContact CD1-CG 4.03Å; I13-Y79 HydrophobicContact CG2-CD1 4.17Å; I13-S82 WeakPolarHBondContact CG2-OG 3.27Å; I13-C84 PolarHBondContact N-O 3.34Å; I13-C84 VanDerWaalsContact N-O 3.08Å; I13-A85 HydrophobicContact CD1-CB 4.06Å; I13-A85 HydrophobicContact CG1-CB 3.62Å; I13-A85 CarbonylContact O-C 3.55Å; I13-A85 WeakPolarHBondContact O-CA 3.18Å; I13-I86 PolarHBondContact O-N 2.76Å; I13-I107 HydrophobicContact CD1-CB 4.49Å; I13-I107 HydrophobicContact CD1-CD1 4.02Å; I13-I107 HydrophobicContact CD1-CG1 3.73Å; I13-I107 HydrophobicContact CD1-CG2 4.06Å
14	L	97.2	Very high	93.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.7	177.4	176.7	61.2	0	0	0	108.8	L12 K22 F25 V26 V62 W63 T65 I86 M88	L12-L14 HydrophobicContact CD2-CB 4.16Å; L14-K22 HydrophobicContact CD1-CB 4.5Å; L14-K22 HydrophobicContact CD1-CG 4.33Å; L14-K22 HydrophobicContact CD2-CB 3.67Å; L14-K22 HydrophobicContact CD2-CG 4.37Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 4.07Å; L14-K22 HydrophobicContact CG-CG 4.05Å; L14-F25 HydrophobicContact CD2-CD1 4.22Å; L14-V26 HydrophobicContact CD2-CG2 3.36Å; L14-V62 HydrophobicContact CB-CG1 3.99Å; L14-V62 HydrophobicContact CD2-CG1 4.29Å; L14-W63 PolarHBondContact N-O 3.33Å; L14-T65 PolarHBondContact O-N 2.87Å; L14-T65 PolarHBondContact O-OG1 3.26Å; L14-I86 HydrophobicContact CD1-CB 3.71Å; L14-I86 HydrophobicContact CD1-CG2 3.57Å; L14-M88 HydrophobicContact CD1-CB 4.48Å; L14-M88 HydrophobicContact CD1-CE 4.32Å
15	V	95.7	Very high	94.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	166.4	-173.2	-55.4	0	0	0	0	111.8	K22 T65 Y79 I86 I87 M88 W103 I107	V15-K22 VanDerWaalsContact C-CD 3.41Å; V15-K22 WeakPolarHBondContact O-CD 3.42Å; V15-T65 HydrophobicContact CG1-CG2 4.4Å; V15-Y79 HydrophobicContact CG1-CE1 3.62Å; V15-I86 PolarHBondContact N-O 2.88Å; V15-I87 HydrophobicContact CG2-CB 4.22Å; V15-I87 HydrophobicContact CG2-CG1 3.78Å; V15-I87 HydrophobicContact CG2-CG2 4.26Å; V15-M88 PolarHBondContact O-N 3.1Å; V15-W103 HydrophobicContact CB-CD2 4.26Å; V15-W103 HydrophobicContact CB-CE3 3.62Å; V15-W103 HydrophobicContact CB-CZ3 3.88Å; V15-W103 HydrophobicContact CG1-CE3 4.31Å; V15-W103 HydrophobicContact CG1-CZ3 4.35Å; V15-W103 HydrophobicContact CG2-CB 4.12Å; V15-W103 HydrophobicContact CG2-CD2 4.43Å; V15-W103 HydrophobicContact CG2-CE3 4.08Å; V15-W103 HydrophobicContact CG2-CG 4.49Å; V15-I107 HydrophobicContact CG1-CD1 4.47Å; V15-I107 HydrophobicContact CG2-CD1 3.61Å
16	G	95.8	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.			trans	139	164.6	-176.1	0	0	0	0	0	111	K22 G67 M88 W103	G16-K22 PolarHBondContact O-NZ 3.34Å; G16-G67 WeakPolarHBondContact O-CA 3.34Å; G16-M88 VanDerWaalsContact CA-O 3.32Å; G16-M88 WeakPolarHBondContact CA-O 3.28Å; G16-W103 WeakPolarHBondContact O-CZ2 3.37Å
17	D	94.7	Very high	95.6	Very high	24 Å²	24	21.8 Å²	21.8	13%	0.128	12%	0.123	C	C	.	.			trans	-55.9	156.5	-178.5	-74.6	15	0	0	0	112.1	V20 K22 T96 N99 W103	D17-V20 HydrophobicContact CB-CG1 3.85Å; D17-V20 WeakPolarHBondContact O-CG1 3.49Å; D17-V20 WeakPolarHBondContact O-CG2 3.44Å; D17-K22 PolarHBondContact O-NZ 2.86Å; D17-T96 HydrophobicContact CB-CG2 3.86Å; D17-T96 WeakPolarHBondContact OD2-CA 3.45Å; D17-N99 WeakPolarHBondContact OD1-CB 3.29Å; D17-N99 PolarHBondContact OD2-ND2 3.26Å; D17-W103 PolarHBondContact OD1-NE1 3.19Å
18	G	93.6	Very high	95.4	Very high	19 Å²	19	20.5 Å²	20.5	20%	0.196	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	145.2	175	0	0	0	0	0	111.3	V20 G67 Q68	G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 PolarHBondContact O-N 3.39Å; G18-G67 PolarHBondContact N-O 3.16Å; G18-Q68 VanDerWaalsContact CA-NE2 3.32Å
19	G	93.6	Very high	95.1	Very high	25 Å²	25	19.5 Å²	19.5	26%	0.258	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-2.5	-178.4	0	0	0	0	0	115.6	G21 Y38 K122	G19-G21 PolarHBondContact O-N 3.49Å; G19-Y38 PolarHBondContact N-OH 3.5Å; G19-K122 WeakPolarHBondContact O-CE 3.32Å; G19-K122 PolarHBondContact O-NZ 3.22Å
20	V	96.2	Very high	94.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-70.6	-17.2	177.1	-57.5	0	0	0	0	113.6	D17 G18 K22 M88 D90 T96 N121	D17-V20 HydrophobicContact CB-CG1 3.85Å; D17-V20 WeakPolarHBondContact O-CG1 3.49Å; D17-V20 WeakPolarHBondContact O-CG2 3.44Å; G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 PolarHBondContact O-N 3.39Å; V20-K22 HydrophobicContact CG2-CD 4.21Å; V20-K22 HydrophobicContact CG2-CG 3.58Å; V20-M88 HydrophobicContact CB-CG 4.29Å; V20-M88 HydrophobicContact CG2-CB 3.99Å; V20-M88 HydrophobicContact CG2-CG 3.84Å; V20-M88 HydrophobicContact CG2-SD 4.05Å; V20-D90 HydrophobicContact CB-CB 4.28Å; V20-D90 HydrophobicContact CG1-CB 4.11Å; V20-T96 HydrophobicContact CG1-CG2 3.75Å; V20-N121 PolarHBondContact O-ND2 3.26Å
21	G	95.6	Very high	94	Very high	13 Å²	13	19.6 Å²	19.6	13%	0.134	12%	0.117	C	C	.	.	S	Bend	trans	109	17.6	175	0	0	0	0	0	116.2	G19 T24 F25	G19-G21 PolarHBondContact O-N 3.49Å; G21-T24 PolarHBondContact O-N 3.33Å; G21-F25 WeakPolarHBondContact O-CB 3.3Å; G21-F25 PolarHBondContact O-N 2.81Å
22	K	96.1	Very high	93.3	Very high	10 Å²	10	18.4 Å²	18.4	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-53.7	-57.3	179.8	-57.3	-169.3	-51.3	-80.3	0	113.1	L14 V15 G16 D17 V20 T24 F25 V26 D64 T65 M88	L14-K22 HydrophobicContact CD1-CB 4.5Å; L14-K22 HydrophobicContact CD1-CG 4.33Å; L14-K22 HydrophobicContact CD2-CB 3.67Å; L14-K22 HydrophobicContact CD2-CG 4.37Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 4.07Å; L14-K22 HydrophobicContact CG-CG 4.05Å; V15-K22 VanDerWaalsContact C-CD 3.41Å; V15-K22 WeakPolarHBondContact O-CD 3.42Å; G16-K22 PolarHBondContact O-NZ 3.34Å; D17-K22 PolarHBondContact O-NZ 2.86Å; V20-K22 HydrophobicContact CG2-CD 4.21Å; V20-K22 HydrophobicContact CG2-CG 3.58Å; K22-T24 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 3.06Å; K22-F25 WeakPolarHBondContact O-CB 3.47Å; K22-F25 PolarHBondContact O-N 2.86Å; K22-F25 VanDerWaalsContact O-N 3.13Å; K22-V26 PolarHBondContact O-N 2.84Å; K22-D64 VanDerWaalsContact CB-OD1 3.24Å; K22-D64 WeakPolarHBondContact CB-OD1 3.27Å; K22-T65 WeakPolarHBondContact CE-O 2.94Å; K22-T65 PolarHBondContact NZ-O 3.39Å; K22-M88 HydrophobicContact CG-CB 4.27Å; K22-M88 HydrophobicContact CG-SD 4.17Å
23	T	94.3	Very high	92.6	Very high	26 Å²	26	24.1 Å²	24.1	16%	0.16	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-40.6	178.5	-45.3	0	0	0	0	112.5	F25 V26 K27 T41 D64	T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 2.84Å; T23-V26 PolarHBondContact O-N 2.91Å; T23-K27 HydrophobicContact CG2-CD 4.02Å; T23-K27 HydrophobicContact CG2-CG 4.24Å; T23-K27 VanDerWaalsContact O-CB 3.31Å; T23-K27 WeakPolarHBondContact O-CB 3.4Å; T23-K27 WeakPolarHBondContact O-CG 3.34Å; T23-K27 PolarHBondContact O-N 2.66Å; T23-T41 PolarHBondContact OG1-OG1 2.91Å; T23-D64 VanDerWaalsContact CA-OD2 3.25Å; T23-D64 WeakPolarHBondContact CA-OD2 3.4Å; T23-D64 VanDerWaalsContact CB-OD2 3.23Å; T23-D64 WeakPolarHBondContact CB-OD2 3.46Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.42Å; T23-D64 PolarHBondContact OG1-OD2 3.08Å
24	T	94.2	Very high	91.9	Very high	30 Å²	30	26.6 Å²	26.6	18%	0.184	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-42.7	175.6	-53.3	0	0	0	0	111.1	G21 K22 R28 F34 A150	G21-T24 PolarHBondContact O-N 3.33Å; K22-T24 VanDerWaalsContact C-N 3.34Å; K22-T24 PolarHBondContact O-N 3.06Å; T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 PolarHBondContact O-N 2.93Å; T24-F34 HydrophobicContact CG2-CD2 3.63Å; T24-F34 HydrophobicContact CG2-CE2 3.5Å; T24-F34 VanDerWaalsContact CG2-CE2 3.5Å; T24-F34 HydrophobicContact CG2-CZ 4.45Å; T24-A150 HydrophobicContact CG2-CB 4.25Å
25	F	95	Very high	91.3	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-43.2	177.4	174	-108.8	0	0	0	112.3	L14 G21 K22 T23 H29 I86 M88 L148 A150 F156 P159 F160	L14-F25 HydrophobicContact CD2-CD1 4.22Å; G21-F25 WeakPolarHBondContact O-CB 3.3Å; G21-F25 PolarHBondContact O-N 2.81Å; K22-F25 WeakPolarHBondContact O-CB 3.47Å; K22-F25 PolarHBondContact O-N 2.86Å; K22-F25 VanDerWaalsContact O-N 3.13Å; T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 2.84Å; F25-H29 AromaticContact CD2-CE1 3.97Å; F25-H29 AromaticContact CE2-CE1 3.38Å; F25-H29 WeakPolarHBondContact CE2-CE1 3.44Å; F25-H29 AromaticContact CE2-ND1 3.97Å; F25-H29 AromaticContact CZ-CE1 3.63Å; F25-H29 PolarHBondContact O-N 2.98Å; F25-H29 PolarHBondContact O-ND1 3.36Å; F25-I86 HydrophobicContact CE1-CD1 4.08Å; F25-M88 HydrophobicContact CB-CE 3.81Å; F25-M88 HydrophobicContact CD1-CE 3.86Å; F25-M88 HydrophobicContact CD2-CE 4.34Å; F25-M88 HydrophobicContact CG-CE 3.75Å; F25-L148 HydrophobicContact CD2-CD1 4.2Å; F25-L148 HydrophobicContact CD2-CD2 3.89Å; F25-L148 HydrophobicContact CE2-CD1 3.58Å; F25-L148 HydrophobicContact CE2-CD2 4.13Å; F25-L148 HydrophobicContact CZ-CD1 4.28Å; F25-A150 HydrophobicContact CB-CB 4.4Å; F25-F156 AromaticContact CD2-CD2 3.76Å; F25-F156 HydrophobicContact CD2-CD2 3.76Å; F25-F156 AromaticContact CD2-CE2 3.45Å; F25-F156 HydrophobicContact CD2-CE2 3.45Å; F25-F156 VanDerWaalsContact CD2-CE2 3.45Å; F25-F156 HydrophobicContact CD2-CZ 4.34Å; F25-F156 AromaticContact CE2-CD2 3.8Å; F25-F156 HydrophobicContact CE2-CD2 3.8Å; F25-F156 AromaticContact CE2-CE2 3.86Å; F25-F156 HydrophobicContact CE2-CE2 3.86Å; F25-F156 WeakPolarHBondContact CE2-O 3.39Å; F25-F156 HydrophobicContact CG-CE2 4.4Å; F25-F156 WeakPolarHBondContact O-CZ 3.29Å; F25-P159 HydrophobicContact CZ-CG 4.39Å; F25-F160 HydrophobicContact CE1-CD2 4.45Å; F25-F160 AromaticContact CE1-CE2 3.42Å; F25-F160 HydrophobicContact CE1-CE2 3.42Å; F25-F160 VanDerWaalsContact CE1-CE2 3.42Å; F25-F160 AromaticContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE2-CE2 4.26Å; F25-F160 AromaticContact CZ-CD2 3.96Å; F25-F160 HydrophobicContact CZ-CD2 3.96Å; F25-F160 AromaticContact CZ-CE2 3.27Å; F25-F160 HydrophobicContact CZ-CE2 3.27Å; F25-F160 HydrophobicContact CZ-CZ 4.03Å
26	V	94.3	Very high	90.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-51.4	177.5	178	0	0	0	0	111.7	L14 K22 T23 R28 H29 L30 H47 V62 D64	L14-V26 HydrophobicContact CD2-CG2 3.36Å; K22-V26 PolarHBondContact O-N 2.84Å; T23-V26 PolarHBondContact O-N 2.91Å; V26-R28 PolarHBondContact O-N 3.27Å; V26-H29 WeakPolarHBondContact O-CB 3.39Å; V26-H29 PolarHBondContact O-N 2.86Å; V26-L30 HydrophobicContact CG1-CD1 4.15Å; V26-L30 PolarHBondContact O-N 2.97Å; V26-H47 HydrophobicContact CG1-CB 3.46Å; V26-H47 VanDerWaalsContact CG1-CB 3.46Å; V26-V62 HydrophobicContact CG2-CG1 3.67Å; V26-D64 HydrophobicContact CG2-CB 4.43Å
27	K	91.5	Very high	90.3	Very high	64 Å²	64	44.6 Å²	44.6	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-37.1	179.3	-77.1	-176	168.9	-176.4	0	112.4	T23 H29 L30 T31 E35	T23-K27 HydrophobicContact CG2-CD 4.02Å; T23-K27 HydrophobicContact CG2-CG 4.24Å; T23-K27 VanDerWaalsContact O-CB 3.31Å; T23-K27 WeakPolarHBondContact O-CB 3.4Å; T23-K27 WeakPolarHBondContact O-CG 3.34Å; T23-K27 PolarHBondContact O-N 2.66Å; K27-H29 VanDerWaalsContact C-N 3.33Å; K27-H29 PolarHBondContact O-N 2.81Å; K27-L30 PolarHBondContact O-N 2.87Å; K27-L30 VanDerWaalsContact O-N 3.16Å; K27-T31 PolarHBondContact O-N 3.25Å; K27-T31 PolarHBondContact O-OG1 2.97Å; K27-E35 IonicContact NZ-OE2 3.17Å; K27-E35 PolarHBondContact NZ-OE2 3.06Å
28	R	90.6	Very high	90	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-32.2	178.1	-174.5	77.3	179.4	175.8	15.8	111.8	T24 V26 G32 E33 N153 F156 K181 A182	T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 PolarHBondContact O-N 2.93Å; V26-R28 PolarHBondContact O-N 3.27Å; R28-G32 PolarHBondContact NE-O 3.22Å; R28-G32 PolarHBondContact NH1-O 2.88Å; R28-G32 PolarHBondContact NH2-O 2.63Å; R28-G32 WeakPolarHBondContact O-CA 3.34Å; R28-G32 PolarHBondContact O-N 2.71Å; R28-E33 VanDerWaalsContact CD-C 3.42Å; R28-E33 WeakPolarHBondContact CD-O 3.48Å; R28-N153 PolarHBondContact NE-OD1 3.18Å; R28-F156 HydrophobicContact CB-CE1 4.39Å; R28-F156 HydrophobicContact CB-CE2 4.03Å; R28-F156 HydrophobicContact CB-CZ 3.47Å; R28-F156 VanDerWaalsContact CB-CZ 3.47Å; R28-F156 HydrophobicContact CG-CE1 4.02Å; R28-F156 HydrophobicContact CG-CE2 3.94Å; R28-F156 HydrophobicContact CG-CZ 3.42Å; R28-F156 VanDerWaalsContact CG-CZ 3.42Å; R28-K181 PolarHBondContact NH2-O 2.97Å; R28-A182 PolarHBondContact NH2-O 2.74Å
29	H	90	Very high	89.7	Confident	21 Å²	21	53 Å²	53	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-71.1	-33.3	169.7	-79.3	89.4	0	0	0	112.6	F25 V26 K27 L49 F51 F156 F160	F25-H29 AromaticContact CD2-CE1 3.97Å; F25-H29 AromaticContact CE2-CE1 3.38Å; F25-H29 WeakPolarHBondContact CE2-CE1 3.44Å; F25-H29 AromaticContact CE2-ND1 3.97Å; F25-H29 AromaticContact CZ-CE1 3.63Å; F25-H29 PolarHBondContact O-N 2.98Å; F25-H29 PolarHBondContact O-ND1 3.36Å; V26-H29 WeakPolarHBondContact O-CB 3.39Å; V26-H29 PolarHBondContact O-N 2.86Å; K27-H29 VanDerWaalsContact C-N 3.33Å; K27-H29 PolarHBondContact O-N 2.81Å; H29-L49 HydrophobicContact CB-CD1 3.81Å; H29-L49 HydrophobicContact CB-CD2 4.01Å; H29-F51 AromaticContact CD2-CE1 3.99Å; H29-F51 AromaticContact CD2-CZ 3.87Å; H29-F156 HydrophobicContact CB-CE1 4.31Å; H29-F156 HydrophobicContact CB-CZ 4.39Å; H29-F156 AromaticContact CD2-CD1 3.99Å; H29-F156 AromaticContact CD2-CE1 3.55Å; H29-F156 AromaticContact CE1-CD1 3.31Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.3Å; H29-F156 AromaticContact CE1-CD2 3.75Å; H29-F156 AromaticContact CE1-CE1 3.05Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.45Å; H29-F156 AromaticContact CE1-CE2 3.49Å; H29-F156 VanDerWaalsContact CE1-CE2 3.49Å; H29-F156 WeakPolarHBondContact CE1-CE2 3.33Å; H29-F156 AromaticContact CE1-CG 3.64Å; H29-F156 AromaticContact CE1-CZ 3.12Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.45Å; H29-F156 PolarHBondContact CE1-O 2.84Å; H29-F156 AromaticContact CG-CE1 3.45Å; H29-F156 VanDerWaalsContact CG-CE1 3.45Å; H29-F156 AromaticContact CG-CZ 3.64Å; H29-F156 AromaticContact ND1-CD1 3.94Å; H29-F156 AromaticContact ND1-CE1 3.18Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.11Å; H29-F156 AromaticContact ND1-CE2 3.63Å; H29-F156 AromaticContact ND1-CZ 2.96Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.32Å; H29-F156 AromaticContact NE2-CD1 3.37Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.42Å; H29-F156 AromaticContact NE2-CE1 3.33Å; H29-F156 VanDerWaalsContact NE2-CE1 3.33Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.36Å; H29-F156 AromaticContact NE2-CG 3.99Å; H29-F156 AromaticContact NE2-CZ 3.89Å; H29-F160 AromaticContact CD2-CE2 3.95Å; H29-F160 AromaticContact CE1-CD2 3.82Å; H29-F160 AromaticContact CE1-CE2 3.37Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.31Å; H29-F160 AromaticContact ND1-CE2 3.69Å; H29-F160 AromaticContact NE2-CD2 3.55Å; H29-F160 AromaticContact NE2-CE2 3.51Å
30	L	87.8	Confident	89.4	Confident	74 Å²	74	54.8 Å²	54.8	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-74.6	-45.3	-180	-73.5	168.5	0	0	0	113.6	V26 K27 H47 L49	V26-L30 HydrophobicContact CG1-CD1 4.15Å; V26-L30 PolarHBondContact O-N 2.97Å; K27-L30 PolarHBondContact O-N 2.87Å; K27-L30 VanDerWaalsContact O-N 3.16Å; L30-H47 HydrophobicContact CD1-CB 3.97Å; L30-H47 VanDerWaalsContact CD1-ND1 3.28Å; L30-H47 WeakPolarHBondContact CD1-ND1 3.46Å; L30-L49 HydrophobicContact CD1-CD2 4.46Å; L30-L49 HydrophobicContact CD2-CD2 3.34Å; L30-L49 HydrophobicContact CG-CD2 3.48Å; L30-L49 VanDerWaalsContact CG-CD2 3.48Å
31	T	85.3	Confident	88.9	Confident	70 Å²	70	55.7 Å²	55.7	43%	0.429	27%	0.273	S	S	.	.	H	α-helix	trans	-116.1	-16.7	-165	62.7	0	0	0	0	112.9	K27 E33	K27-T31 PolarHBondContact O-N 3.25Å; K27-T31 PolarHBondContact O-OG1 2.97Å; T31-E33 PolarHBondContact O-N 2.78Å; T31-E33 PolarHBondContact OG1-N 3.41Å; T31-E33 VanDerWaalsContact OG1-N 3.1Å
32	G	83.6	Confident	88.4	Confident	5 Å²	5	62.5 Å²	62.5	5%	0.052	31%	0.306	C	S	.	.	S	Bend	trans	68.5	7.5	-167.3	0	0	0	0	0	113.7	R28	R28-G32 PolarHBondContact NE-O 3.22Å; R28-G32 PolarHBondContact NH1-O 2.88Å; R28-G32 PolarHBondContact NH2-O 2.63Å; R28-G32 WeakPolarHBondContact O-CA 3.34Å; R28-G32 PolarHBondContact O-N 2.71Å
33	E	82.2	Confident	87.8	Confident	119 Å²	119	63.4 Å²	63.4	56%	0.556	32%	0.318	S	S	*	.			trans	-100.9	145.4	-177.6	-64.5	-177.6	-176.8	0	0	112.2	R28 T31 K181	R28-E33 VanDerWaalsContact CD-C 3.42Å; R28-E33 WeakPolarHBondContact CD-O 3.48Å; T31-E33 PolarHBondContact O-N 2.78Å; T31-E33 PolarHBondContact OG1-N 3.41Å; T31-E33 VanDerWaalsContact OG1-N 3.1Å; E33-K181 IonicContact OE1-NZ 3.75Å
34	F	83.6	Confident	87.6	Confident	53 Å²	53	64 Å²	64	23%	0.232	32%	0.322	C	S	.	.			trans	-103.9	105.7	-179.1	179.1	-101.7	0	0	0	108.6	T24 K36 R151	T24-F34 HydrophobicContact CG2-CD2 3.63Å; T24-F34 HydrophobicContact CG2-CE2 3.5Å; T24-F34 VanDerWaalsContact CG2-CE2 3.5Å; T24-F34 HydrophobicContact CG2-CZ 4.45Å; F34-K36 HydrophobicContact CD1-CG 3.81Å; F34-K36 HydrophobicContact CE1-CG 3.88Å; F34-K36 PolarHBondContact O-N 3.13Å; F34-R151 HydrophobicContact CD1-CG 4.46Å; F34-R151 HydrophobicContact CD2-CB 4.29Å; F34-R151 HydrophobicContact CD2-CG 4.43Å; F34-R151 HydrophobicContact CE1-CG 4Å; F34-R151 VanDerWaalsContact CE2-CA 3.5Å; F34-R151 HydrophobicContact CE2-CB 3.66Å; F34-R151 HydrophobicContact CE2-CG 3.95Å; F34-R151 HydrophobicContact CZ-CB 3.84Å; F34-R151 HydrophobicContact CZ-CG 3.73Å
35	E	83	Confident	87.6	Confident	80 Å²	80	66.5 Å²	66.5	37%	0.374	33%	0.331	S	S	.	.			trans	-74	109	176.5	-172.7	102.9	-126.1	0	0	109.9	K27 K37	K27-E35 IonicContact NZ-OE2 3.17Å; K27-E35 PolarHBondContact NZ-OE2 3.06Å; E35-K37 WeakPolarHBondContact CG-O 3.13Å
36	K	83.9	Confident	87.6	Confident	150 Å²	150	69.9 Å²	69.9	65%	0.652	35%	0.352	S	S	*	.			trans	-75.1	-27.4	178.4	-64.3	178.6	-177.4	169	0	112.7	F34 E184	F34-K36 HydrophobicContact CD1-CG 3.81Å; F34-K36 HydrophobicContact CE1-CG 3.88Å; F34-K36 PolarHBondContact O-N 3.13Å; K36-E184 IonicContact NZ-OE2 2.68Å
37	K	88.1	Confident	87.7	Confident	148 Å²	148	71.3 Å²	71.3	64%	0.643	36%	0.359	S	S	*	.	S	Bend	trans	-85.9	125.6	-176.7	-173.9	178.9	177.7	-177.8	0	109.9	E35 I39	E35-K37 WeakPolarHBondContact CG-O 3.13Å; K37-I39 HydrophobicContact CD-CD1 4.32Å; K37-I39 HydrophobicContact CD-CG1 4.28Å; K37-I39 HydrophobicContact CG-CG1 4.22Å; K37-I39 PolarHBondContact O-N 3.03Å
38	Y	87.1	Confident	87.9	Confident	120 Å²	120	71.6 Å²	71.6	47%	0.471	37%	0.367	S	S	.	.			trans	-80.2	118.9	170.5	177.2	-115.4	0	0	0	110.3	G19 P40 Q68	G19-Y38 PolarHBondContact N-OH 3.5Å; Y38-P40 HydrophobicContact CD1-CG 4.41Å; Y38-P40 HydrophobicContact CE1-CB 4.43Å; Y38-P40 HydrophobicContact CE1-CG 3.67Å; Y38-Q68 PolarHBondContact OH-NE2 2.99Å
39	I	88.1	Confident	88.1	Confident	100 Å²	100	71.6 Å²	71.6	51%	0.513	37%	0.367	S	S	.	.			trans	-120.3	117.2	167.6	-58.1	176.8	0	0	0	105.7	K37 T41	K37-I39 HydrophobicContact CD-CD1 4.32Å; K37-I39 HydrophobicContact CD-CG1 4.28Å; K37-I39 HydrophobicContact CG-CG1 4.22Å; K37-I39 PolarHBondContact O-N 3.03Å; I39-T41 PolarHBondContact O-N 3.31Å
40	P	87.8	Confident	88.3	Confident	62 Å²	62	77.1 Å²	77.1	40%	0.403	39%	0.391	S	S	.	.			trans	-59	131.4	177.4	-21	30	0	0	0	111.5	Y38	Y38-P40 HydrophobicContact CD1-CG 4.41Å; Y38-P40 HydrophobicContact CE1-CB 4.43Å; Y38-P40 HydrophobicContact CE1-CG 3.67Å
41	T	84.2	Confident	88.6	Confident	18 Å²	18	73.8 Å²	73.8	11%	0.11	37%	0.374	C	S	.	.			trans	-61.2	138.2	169.3	-42.5	0	0	0	0	109.8	T23 I39 E45 A66	T23-T41 PolarHBondContact OG1-OG1 2.91Å; I39-T41 PolarHBondContact O-N 3.31Å; T41-E45 HydrophobicContact CG2-CG 4.11Å; T41-A66 WeakPolarHBondContact O-CB 3.37Å
42	L	84.8	Confident	89.1	Confident	157 Å²	157	74 Å²	74	82%	0.822	37%	0.369	S	S	*	.			trans	-102.6	111.4	173.7	-62.6	178.1	0	0	0	108.8	V44	L42-V44 PolarHBondContact O-N 3.03Å
43	G	84.7	Confident	89.6	Confident	29 Å²	29	74 Å²	74	30%	0.299	37%	0.369	S	S	.	.	S	Bend	trans	71.7	-107.1	-179.2	0	0	0	0	0	112.4	A66	G43-A66 WeakPolarHBondContact O-CB 3.4Å; G43-A66 PolarHBondContact O-N 3.42Å
44	V	90.3	Very high	90.3	Very high	39 Å²	39	72 Å²	72	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.9	179.2	67.2	0	0	0	0	110.9	L42 W63 D64 T65 Y78	L42-V44 PolarHBondContact O-N 3.03Å; V44-W63 HydrophobicContact CG1-CE3 4.34Å; V44-W63 HydrophobicContact CG1-CZ3 4.49Å; V44-W63 HydrophobicContact CG2-CB 3.87Å; V44-W63 HydrophobicContact CG2-CD2 4.35Å; V44-W63 HydrophobicContact CG2-CE3 3.89Å; V44-W63 HydrophobicContact CG2-CG 4.41Å; V44-D64 WeakPolarHBondContact CA-O 3.24Å; V44-T65 HydrophobicContact CG2-CG2 4.32Å; V44-Y78 HydrophobicContact CB-CD1 4.05Å; V44-Y78 HydrophobicContact CB-CD2 4.39Å; V44-Y78 HydrophobicContact CB-CE1 3.89Å; V44-Y78 HydrophobicContact CB-CE2 4.25Å; V44-Y78 HydrophobicContact CB-CG 4.31Å; V44-Y78 HydrophobicContact CG1-CD1 3.63Å; V44-Y78 HydrophobicContact CG1-CE1 3.29Å; V44-Y78 HydrophobicContact CG1-CG 4.38Å
45	E	92.7	Very high	90.9	Very high	81 Å²	81	74.7 Å²	74.7	38%	0.379	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.7	165.9	-65.3	-177.9	-174.3	0	0	109.6	T41 H47 D64	T41-E45 HydrophobicContact CG2-CG 4.11Å; E45-H47 VanDerWaalsContact CB-NE2 3.29Å; E45-H47 WeakPolarHBondContact CB-NE2 3.38Å; E45-H47 IonicContact OE2-CE1 3.49Å; E45-H47 PolarHBondContact OE2-CE1 2.97Å; E45-H47 IonicContact OE2-NE2 3.06Å; E45-H47 PolarHBondContact OE2-NE2 2.71Å; E45-D64 PolarHBondContact N-O 2.68Å; E45-D64 PolarHBondContact O-N 3.18Å
46	V	95.4	Very high	91.4	Very high	73 Å²	73	71.9 Å²	71.9	44%	0.442	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.9	-178.8	-174.9	0	0	0	0	110.1	N61 V62 W63	V46-N61 HydrophobicContact CG1-CB 4.44Å; V46-V62 CarbonylContact C-O 3.58Å; V46-V62 WeakPolarHBondContact CA-O 3.36Å; V46-W63 HydrophobicContact CG2-CD2 3.81Å; V46-W63 HydrophobicContact CG2-CE3 4.31Å; V46-W63 HydrophobicContact CG2-CG 4.04Å; V46-W63 HydrophobicContact CG2-CZ2 4.25Å
47	H	96.1	Very high	91.9	Very high	30 Å²	30	68.5 Å²	68.5	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.8	-172.2	-67.4	-74.7	0	0	0	110.8	V26 L30 E45 L49 V62	V26-H47 HydrophobicContact CG1-CB 3.46Å; V26-H47 VanDerWaalsContact CG1-CB 3.46Å; L30-H47 HydrophobicContact CD1-CB 3.97Å; L30-H47 VanDerWaalsContact CD1-ND1 3.28Å; L30-H47 WeakPolarHBondContact CD1-ND1 3.46Å; E45-H47 VanDerWaalsContact CB-NE2 3.29Å; E45-H47 WeakPolarHBondContact CB-NE2 3.38Å; E45-H47 IonicContact OE2-CE1 3.49Å; E45-H47 PolarHBondContact OE2-CE1 2.97Å; E45-H47 IonicContact OE2-NE2 3.06Å; E45-H47 PolarHBondContact OE2-NE2 2.71Å; H47-L49 PolarHBondContact O-N 3.31Å; H47-V62 PolarHBondContact N-O 2.9Å; H47-V62 PolarHBondContact O-N 3.39Å
48	P	96.3	Very high	92.3	Very high	69 Å²	69	61.9 Å²	61.9	45%	0.448	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.4	175.5	29.9	-32.2	0	0	0	110.7	Q59	P48-Q59 HydrophobicContact CB-CG 4.35Å
49	L	95.5	Very high	92.8	Very high	6 Å²	6	57 Å²	57	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.2	174.3	-56.8	-171.5	0	0	0	110	H29 L30 H47 F51 Q59 F60 V62 F160	H29-L49 HydrophobicContact CB-CD1 3.81Å; H29-L49 HydrophobicContact CB-CD2 4.01Å; L30-L49 HydrophobicContact CD1-CD2 4.46Å; L30-L49 HydrophobicContact CD2-CD2 3.34Å; L30-L49 HydrophobicContact CG-CD2 3.48Å; L30-L49 VanDerWaalsContact CG-CD2 3.48Å; H47-L49 PolarHBondContact O-N 3.31Å; L49-F51 HydrophobicContact CB-CE2 3.72Å; L49-F51 HydrophobicContact CB-CZ 4.29Å; L49-Q59 CarbonylContact O-C 3.55Å; L49-Q59 VanDerWaalsContact O-CA 3.29Å; L49-Q59 WeakPolarHBondContact O-CA 3.38Å; L49-F60 PolarHBondContact N-O 3.31Å; L49-F60 PolarHBondContact O-N 2.98Å; L49-V62 HydrophobicContact CD1-CG2 3.65Å; L49-V62 HydrophobicContact CG-CG2 3.88Å; L49-F160 HydrophobicContact CD1-CE1 3.83Å; L49-F160 HydrophobicContact CD1-CE2 4.19Å; L49-F160 HydrophobicContact CD1-CZ 3.46Å; L49-F160 VanDerWaalsContact CD1-CZ 3.46Å
50	K	94.2	Very high	93.2	Very high	136 Å²	136	52.2 Å²	52.2	59%	0.591	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.7	177.5	-67	178.8	-179.1	175.7	0	110.3	T58 Q59	K50-T58 WeakPolarHBondContact CA-O 3.31Å; K50-Q59 HydrophobicContact CG-CB 4.28Å; K50-Q59 HydrophobicContact CG-CG 4.03Å
51	F	94.4	Very high	93.7	Very high	5 Å²	5	51 Å²	51	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.1	174	-62.5	-92.1	0	0	0	109.2	H29 L49 K57 T58 F60 F160 F175	H29-F51 AromaticContact CD2-CE1 3.99Å; H29-F51 AromaticContact CD2-CZ 3.87Å; L49-F51 HydrophobicContact CB-CE2 3.72Å; L49-F51 HydrophobicContact CB-CZ 4.29Å; F51-K57 WeakPolarHBondContact O-CA 3.43Å; F51-T58 HydrophobicContact CB-CG2 3.89Å; F51-T58 PolarHBondContact N-O 3.45Å; F51-T58 PolarHBondContact O-N 3.33Å; F51-F60 AromaticContact CD2-CD2 3.8Å; F51-F60 HydrophobicContact CD2-CD2 3.8Å; F51-F60 HydrophobicContact CD2-CE2 4.24Å; F51-F60 AromaticContact CE2-CD2 3.71Å; F51-F60 HydrophobicContact CE2-CD2 3.71Å; F51-F60 HydrophobicContact CE2-CE2 4.35Å; F51-F160 HydrophobicContact CE1-CB 4.21Å; F51-F160 HydrophobicContact CE1-CD2 4.42Å; F51-F160 HydrophobicContact CE1-CG 4.32Å; F51-F160 HydrophobicContact CE2-CB 4.15Å; F51-F160 AromaticContact CE2-CD1 3.82Å; F51-F160 HydrophobicContact CE2-CD1 3.82Å; F51-F160 HydrophobicContact CE2-CE1 4.32Å; F51-F160 AromaticContact CE2-CG 3.92Å; F51-F160 HydrophobicContact CE2-CG 3.92Å; F51-F160 HydrophobicContact CZ-CB 3.81Å; F51-F160 AromaticContact CZ-CD1 3.87Å; F51-F160 HydrophobicContact CZ-CD1 3.87Å; F51-F160 AromaticContact CZ-CD2 3.73Å; F51-F160 HydrophobicContact CZ-CD2 3.73Å; F51-F160 HydrophobicContact CZ-CE1 4.35Å; F51-F160 HydrophobicContact CZ-CE2 4.23Å; F51-F160 AromaticContact CZ-CG 3.53Å; F51-F160 HydrophobicContact CZ-CG 3.53Å; F51-F175 HydrophobicContact CB-CD1 4.01Å; F51-F175 HydrophobicContact CB-CE1 3.72Å; F51-F175 HydrophobicContact CB-CZ 4.08Å; F51-F175 HydrophobicContact CD1-CD1 4.38Å; F51-F175 AromaticContact CD1-CD2 3.84Å; F51-F175 HydrophobicContact CD1-CD2 3.84Å; F51-F175 HydrophobicContact CD1-CE1 4.06Å; F51-F175 AromaticContact CD1-CE2 3.49Å; F51-F175 HydrophobicContact CD1-CE2 3.49Å; F51-F175 VanDerWaalsContact CD1-CE2 3.49Å; F51-F175 HydrophobicContact CD1-CG 4.28Å; F51-F175 AromaticContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CD2-CZ 4.43Å; F51-F175 HydrophobicContact CE1-CD2 4.34Å; F51-F175 AromaticContact CE1-CE2 3.77Å; F51-F175 HydrophobicContact CE1-CE2 3.77Å; F51-F175 HydrophobicContact CE1-CZ 4.12Å; F51-F175 HydrophobicContact CG-CD1 4.49Å; F51-F175 AromaticContact CG-CE1 3.97Å; F51-F175 HydrophobicContact CG-CE1 3.97Å; F51-F175 HydrophobicContact CG-CE2 4.16Å; F51-F175 AromaticContact CG-CZ 3.78Å; F51-F175 HydrophobicContact CG-CZ 3.78Å
52	Q	94.7	Very high	94.4	Very high	73 Å²	73	50.1 Å²	50.1	34%	0.341	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.7	171.1	-178.4	66.8	51.8	0	0	107.7	F175 V176	Q52-F175 WeakPolarHBondContact O-CA 3.45Å; Q52-V176 HydrophobicContact CB-CG2 4.22Å; Q52-V176 WeakPolarHBondContact CB-O 3.45Å; Q52-V176 HydrophobicContact CG-CG2 3.48Å; Q52-V176 VanDerWaalsContact CG-CG2 3.48Å; Q52-V176 PolarHBondContact O-N 2.74Å
53	T	95.4	Very high	94.9	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	168	-179	84.5	0	0	0	0	110.6	F55 G56 T58 L173 V174 F175	T53-F55 PolarHBondContact O-N 3.1Å; T53-F55 PolarHBondContact OG1-N 3.16Å; T53-G56 WeakPolarHBondContact CA-O 3.23Å; T53-G56 VanDerWaalsContact CB-O 3.3Å; T53-G56 WeakPolarHBondContact CB-O 3.25Å; T53-G56 WeakPolarHBondContact CG2-O 3.27Å; T53-G56 PolarHBondContact N-O 3.22Å; T53-G56 PolarHBondContact O-N 2.88Å; T53-G56 PolarHBondContact OG1-N 2.88Å; T53-G56 PolarHBondContact OG1-O 3.22Å; T53-T58 HydrophobicContact CG2-CG2 3.77Å; T53-L173 HydrophobicContact CG2-CD1 4.16Å; T53-L173 HydrophobicContact CG2-CD2 3.91Å; T53-L173 HydrophobicContact CG2-CG 4.13Å; T53-V174 WeakPolarHBondContact CA-O 3.33Å; T53-V174 WeakPolarHBondContact CB-O 3.18Å; T53-F175 HydrophobicContact CG2-CD1 3.97Å; T53-F175 HydrophobicContact CG2-CE1 4.2Å
54	N	96.1	Very high	95.4	Very high	78 Å²	78	44.3 Å²	44.3	42%	0.417	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.6	168.9	61.7	-34.2	0	0	0	114	N172 L173 V174 V176	N54-N172 PolarHBondContact ND2-O 3.1Å; N54-N172 VanDerWaalsContact ND2-O 3.1Å; N54-L173 WeakPolarHBondContact OD1-CA 3.47Å; N54-V174 HydrophobicContact CB-CG2 4.02Å; N54-V174 PolarHBondContact N-O 3.49Å; N54-V174 PolarHBondContact OD1-N 3.23Å; N54-V174 PolarHBondContact OD1-O 2.89Å; N54-V176 HydrophobicContact CB-CG1 4.36Å
55	F	95.1	Very high	95.5	Very high	109 Å²	109	42.5 Å²	42.5	48%	0.478	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	12.9	175.3	-67.1	-83.2	0	0	0	113.2	T53 Q170 L173	T53-F55 PolarHBondContact O-N 3.1Å; T53-F55 PolarHBondContact OG1-N 3.16Å; F55-Q170 HydrophobicContact CD1-CG 4.48Å; F55-Q170 HydrophobicContact CD2-CB 4.25Å; F55-Q170 HydrophobicContact CD2-CG 4.39Å; F55-Q170 HydrophobicContact CE2-CB 4.16Å; F55-Q170 HydrophobicContact CG-CG 4.37Å; F55-L173 HydrophobicContact CD2-CB 4Å; F55-L173 HydrophobicContact CD2-CG 4.23Å; F55-L173 HydrophobicContact CE2-CB 4.23Å
56	G	94.2	Very high	95.2	Very high	20 Å²	20	39 Å²	39	21%	0.206	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.4	-171.3	-175.6	0	0	0	0	0	112.9	T53	T53-G56 WeakPolarHBondContact CA-O 3.23Å; T53-G56 VanDerWaalsContact CB-O 3.3Å; T53-G56 WeakPolarHBondContact CB-O 3.25Å; T53-G56 WeakPolarHBondContact CG2-O 3.27Å; T53-G56 PolarHBondContact N-O 3.22Å; T53-G56 PolarHBondContact O-N 2.88Å; T53-G56 PolarHBondContact OG1-N 2.88Å; T53-G56 PolarHBondContact OG1-O 3.22Å
57	K	95	Very high	94.4	Very high	79 Å²	79	36 Å²	36	34%	0.343	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	148.2	-179.8	-66.9	167.2	-168.5	140.9	0	111	E5 I7 P8 F51	E5-K57 IonicContact OE2-NZ 2.78Å; E5-K57 PolarHBondContact OE2-NZ 2.81Å; I7-K57 HydrophobicContact CD1-CB 4.16Å; I7-K57 HydrophobicContact CD1-CD 3.84Å; I7-K57 HydrophobicContact CG1-CB 4.08Å; I7-K57 HydrophobicContact CG1-CD 4.35Å; I7-K57 HydrophobicContact CG2-CB 3.95Å; P8-K57 WeakPolarHBondContact CD-O 3.29Å; F51-K57 WeakPolarHBondContact O-CA 3.43Å
58	T	95.8	Very high	93.3	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.7	168.4	-174.6	0	0	0	0	109.5	Y10 K50 F51 T53	Y10-T58 WeakPolarHBondContact CE2-OG1 3.19Å; K50-T58 WeakPolarHBondContact CA-O 3.31Å; F51-T58 HydrophobicContact CB-CG2 3.89Å; F51-T58 PolarHBondContact N-O 3.45Å; F51-T58 PolarHBondContact O-N 3.33Å; T53-T58 HydrophobicContact CG2-CG2 3.77Å
59	Q	97.3	Very high	91.8	Very high	17 Å²	17	38.6 Å²	38.6	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.8	179.4	-174.5	176.1	-63.5	0	0	111.5	I7 P8 Q9 Y10 P48 L49 K50 N61	I7-Q59 HydrophobicContact CG2-CB 4.15Å; P8-Q59 PolarHBondContact O-N 2.85Å; Q9-Q59 CarbonylContact C-O 3.55Å; Q9-Q59 VanDerWaalsContact CA-O 3.3Å; Q9-Q59 WeakPolarHBondContact CA-O 3.34Å; Q9-Q59 HydrophobicContact CG-CB 4.21Å; Y10-Q59 PolarHBondContact N-O 3.07Å; P48-Q59 HydrophobicContact CB-CG 4.35Å; L49-Q59 CarbonylContact O-C 3.55Å; L49-Q59 VanDerWaalsContact O-CA 3.29Å; L49-Q59 WeakPolarHBondContact O-CA 3.38Å; K50-Q59 HydrophobicContact CG-CB 4.28Å; K50-Q59 HydrophobicContact CG-CG 4.03Å; Q59-N61 PolarHBondContact NE2-OD1 3.18Å
60	F	98.3	Very high	90	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.2	164.7	-68.2	-82.4	0	0	0	109.2	Y10 L12 L49 F51 V62 F160 L163 A164 L167	Y10-F60 HydrophobicContact CD2-CE1 4.25Å; Y10-F60 HydrophobicContact CG-CE1 4.5Å; Y10-F60 CarbonylContact O-C 3.59Å; Y10-F60 WeakPolarHBondContact O-CA 3.5Å; L12-F60 HydrophobicContact CB-CB 4.4Å; L12-F60 HydrophobicContact CB-CD1 4.06Å; L12-F60 HydrophobicContact CD1-CB 4.49Å; L12-F60 HydrophobicContact CD1-CD1 3.74Å; L12-F60 HydrophobicContact CD1-CE1 4.21Å; L12-F60 HydrophobicContact CD1-CG 4.22Å; L49-F60 PolarHBondContact N-O 3.31Å; L49-F60 PolarHBondContact O-N 2.98Å; F51-F60 AromaticContact CD2-CD2 3.8Å; F51-F60 HydrophobicContact CD2-CD2 3.8Å; F51-F60 HydrophobicContact CD2-CE2 4.24Å; F51-F60 AromaticContact CE2-CD2 3.71Å; F51-F60 HydrophobicContact CE2-CD2 3.71Å; F51-F60 HydrophobicContact CE2-CE2 4.35Å; F60-V62 HydrophobicContact CB-CG2 3.99Å; F60-V62 PolarHBondContact O-N 2.62Å; F60-F160 HydrophobicContact CB-CD1 4.41Å; F60-F160 HydrophobicContact CB-CE1 4.27Å; F60-F160 AromaticContact CD2-CD1 3.65Å; F60-F160 HydrophobicContact CD2-CD1 3.65Å; F60-F160 HydrophobicContact CD2-CE1 4.33Å; F60-F160 HydrophobicContact CE2-CB 4.24Å; F60-F160 AromaticContact CE2-CD1 3.98Å; F60-F160 HydrophobicContact CE2-CD1 3.98Å; F60-F160 AromaticContact CG-CD1 3.98Å; F60-F160 HydrophobicContact CG-CD1 3.98Å; F60-F160 HydrophobicContact CG-CE1 4.3Å; F60-L163 HydrophobicContact CE1-CB 4.04Å; F60-L163 HydrophobicContact CZ-CB 3.93Å; F60-A164 HydrophobicContact CE2-CB 4.26Å; F60-A164 HydrophobicContact CZ-CB 4.09Å; F60-L167 HydrophobicContact CE1-CD1 3.7Å; F60-L167 HydrophobicContact CZ-CD1 4.31Å
61	N	98	Very high	88	Confident	36 Å²	36	48.8 Å²	48.8	19%	0.193	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	94.9	165.4	-65.8	-46.9	0	0	0	106.6	Q9 Y10 L12 V46 Q59 W63	Q9-N61 PolarHBondContact OE1-ND2 2.98Å; Q9-N61 VanDerWaalsContact OE1-ND2 3.08Å; Y10-N61 PolarHBondContact O-N 3.04Å; L12-N61 PolarHBondContact N-O 3.25Å; V46-N61 HydrophobicContact CG1-CB 4.44Å; Q59-N61 PolarHBondContact NE2-OD1 3.18Å; N61-W63 VanDerWaalsContact O-CD1 3.31Å
62	V	97.9	Very high	86.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.3	-174.9	-177.8	0	0	0	0	109.9	L12 L14 V26 V46 H47 L49 F60 D64 F160	L12-V62 HydrophobicContact CB-CG2 4.37Å; L12-V62 HydrophobicContact CD2-CB 4.49Å; L12-V62 HydrophobicContact CD2-CG1 3.88Å; L12-V62 HydrophobicContact CD2-CG2 4.23Å; L12-V62 CarbonylContact O-C 3.53Å; L12-V62 WeakPolarHBondContact O-CA 2.83Å; L14-V62 HydrophobicContact CB-CG1 3.99Å; L14-V62 HydrophobicContact CD2-CG1 4.29Å; V26-V62 HydrophobicContact CG2-CG1 3.67Å; V46-V62 CarbonylContact C-O 3.58Å; V46-V62 WeakPolarHBondContact CA-O 3.36Å; H47-V62 PolarHBondContact N-O 2.9Å; H47-V62 PolarHBondContact O-N 3.39Å; L49-V62 HydrophobicContact CD1-CG2 3.65Å; L49-V62 HydrophobicContact CG-CG2 3.88Å; F60-V62 HydrophobicContact CB-CG2 3.99Å; F60-V62 PolarHBondContact O-N 2.62Å; V62-D64 PolarHBondContact O-N 2.61Å; V62-F160 HydrophobicContact CG2-CE1 3.97Å; V62-F160 HydrophobicContact CG2-CZ 4.3Å
63	W	96.5	Very high	84.4	Confident	64 Å²	64	49.3 Å²	49.3	24%	0.242	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	91.4	172.5	-70.5	54.4	0	0	0	107.4	K11 L12 I13 L14 V44 V46 N61 T65 Y78	K11-W63 HydrophobicContact CD-CZ2 4.33Å; L12-W63 PolarHBondContact O-N 3.44Å; I13-W63 HydrophobicContact CG2-CB 4.13Å; L14-W63 PolarHBondContact N-O 3.33Å; V44-W63 HydrophobicContact CG1-CE3 4.34Å; V44-W63 HydrophobicContact CG1-CZ3 4.49Å; V44-W63 HydrophobicContact CG2-CB 3.87Å; V44-W63 HydrophobicContact CG2-CD2 4.35Å; V44-W63 HydrophobicContact CG2-CE3 3.89Å; V44-W63 HydrophobicContact CG2-CG 4.41Å; V46-W63 HydrophobicContact CG2-CD2 3.81Å; V46-W63 HydrophobicContact CG2-CE3 4.31Å; V46-W63 HydrophobicContact CG2-CG 4.04Å; V46-W63 HydrophobicContact CG2-CZ2 4.25Å; N61-W63 VanDerWaalsContact O-CD1 3.31Å; W63-T65 PolarHBondContact O-N 3.24Å; W63-Y78 HydrophobicContact CE3-CD1 4.18Å; W63-Y78 AromaticContact CZ3-CD1 3.99Å; W63-Y78 HydrophobicContact CZ3-CD1 3.99Å
64	D	94.8	Very high	82.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	104.7	174	-178.8	34	0	0	0	109	K22 T23 V26 V44 E45 V62	K22-D64 VanDerWaalsContact CB-OD1 3.24Å; K22-D64 WeakPolarHBondContact CB-OD1 3.27Å; T23-D64 VanDerWaalsContact CA-OD2 3.25Å; T23-D64 WeakPolarHBondContact CA-OD2 3.4Å; T23-D64 VanDerWaalsContact CB-OD2 3.23Å; T23-D64 WeakPolarHBondContact CB-OD2 3.46Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.42Å; T23-D64 PolarHBondContact OG1-OD2 3.08Å; V26-D64 HydrophobicContact CG2-CB 4.43Å; V44-D64 WeakPolarHBondContact CA-O 3.24Å; E45-D64 PolarHBondContact N-O 2.68Å; E45-D64 PolarHBondContact O-N 3.18Å; V62-D64 PolarHBondContact O-N 2.61Å
65	T	91.4	Very high	81.6	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	148.8	-177.1	62	0	0	0	0	111.2	L14 V15 K22 V44 W63 Y78	L14-T65 PolarHBondContact O-N 2.87Å; L14-T65 PolarHBondContact O-OG1 3.26Å; V15-T65 HydrophobicContact CG1-CG2 4.4Å; K22-T65 WeakPolarHBondContact CE-O 2.94Å; K22-T65 PolarHBondContact NZ-O 3.39Å; V44-T65 HydrophobicContact CG2-CG2 4.32Å; W63-T65 PolarHBondContact O-N 3.24Å; T65-Y78 HydrophobicContact CG2-CD2 4.36Å
66	A	86.6	Confident	81	Confident	6 Å²	6	49.9 Å²	49.9	5%	0.05	26%	0.263	C	S	.	.			trans	-56.1	155.1	161.4	0	0	0	0	0	109.9	T41 G43 E69	T41-A66 WeakPolarHBondContact O-CB 3.37Å; G43-A66 WeakPolarHBondContact O-CB 3.4Å; G43-A66 PolarHBondContact O-N 3.42Å; A66-E69 VanDerWaalsContact C-OE1 3.27Å; A66-E69 WeakPolarHBondContact CA-OE2 3.34Å; A66-E69 WeakPolarHBondContact CB-OE2 3.37Å
67	G	78.8	Confident	80.7	Confident	11 Å²	11	51.1 Å²	51.1	11%	0.113	28%	0.275	C	S	.	.	S	Bend	trans	-123.9	11.6	178.3	0	0	0	0	0	113.1	G16 G18 E69	G16-G67 WeakPolarHBondContact O-CA 3.34Å; G18-G67 PolarHBondContact N-O 3.16Å; G67-E69 PolarHBondContact N-OE2 3.14Å
68	Q	74.3	Confident	80.5	Confident	108 Å²	108	50.2 Å²	50.2	51%	0.505	27%	0.27	S	S	.	.			trans	-108.1	-14.7	-171.5	-66.1	-65.3	-20	0	0	112.1	G18 Y38 K70	G18-Q68 VanDerWaalsContact CA-NE2 3.32Å; Y38-Q68 PolarHBondContact OH-NE2 2.99Å; Q68-K70 PolarHBondContact O-N 3.13Å; Q68-K70 VanDerWaalsContact O-N 3.14Å
69	E	64.3	Low	80.3	Confident	45 Å²	45	49.8 Å²	49.8	21%	0.21	27%	0.268	C	S	.	.			trans	-67.5	112.3	-178.4	59.2	-62.6	147.9	0	0	110.2	A66 G67 F71 R75	A66-E69 VanDerWaalsContact C-OE1 3.27Å; A66-E69 WeakPolarHBondContact CA-OE2 3.34Å; A66-E69 WeakPolarHBondContact CB-OE2 3.37Å; G67-E69 PolarHBondContact N-OE2 3.14Å; E69-F71 PolarHBondContact O-N 3.32Å; E69-R75 VanDerWaalsContact CD-NH2 3.3Å; E69-R75 HydrophobicContact CG-CG 3.93Å; E69-R75 VanDerWaalsContact CG-NE 3.29Å; E69-R75 VanDerWaalsContact O-CZ 3.31Å; E69-R75 PolarHBondContact O-NH2 3.49Å; E69-R75 IonicContact OE1-CZ 2.88Å; E69-R75 IonicContact OE1-NE 3.74Å; E69-R75 PolarHBondContact OE1-NE 3.3Å; E69-R75 IonicContact OE1-NH2 2.73Å; E69-R75 PolarHBondContact OE1-NH2 3.19Å
70	K	57.3	Low	80.1	Confident	190 Å²	190	53.4 Å²	53.4	83%	0.826	29%	0.287	S	S	*	.	S	Bend	trans	-75.3	-7.4	179.9	-62.2	-176.5	179.3	179.9	0	112.7	Q68	Q68-K70 PolarHBondContact O-N 3.13Å; Q68-K70 VanDerWaalsContact O-N 3.14Å
71	F	52.4	Low	79.9	Confident	167 Å²	167	62.2 Å²	62.2	73%	0.732	33%	0.325	S	S	*	.			trans	-120.9	106.3	-172.5	-56.7	-71.4	0	0	0	109.9	E69 G73	E69-F71 PolarHBondContact O-N 3.32Å; F71-G73 PolarHBondContact O-N 2.68Å; F71-G73 VanDerWaalsContact O-N 3.13Å
72	G	55	Low	79.9	Confident	22 Å²	22	60.9 Å²	60.9	23%	0.227	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63	-16.3	-174.3	0	0	0	0	0	115.6	L74 R75	G72-L74 PolarHBondContact O-N 2.66Å; G72-R75 WeakPolarHBondContact O-CB 3.29Å; G72-R75 PolarHBondContact O-N 2.93Å
73	G	57.3	Low	79.9	Confident	66 Å²	66	64 Å²	64	68%	0.68	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.4	-32.7	-173.8	0	0	0	0	0	115.2	F71 R75	F71-G73 PolarHBondContact O-N 2.68Å; F71-G73 VanDerWaalsContact O-N 3.13Å; G73-R75 VanDerWaalsContact C-N 3.29Å; G73-R75 PolarHBondContact O-N 2.88Å
74	L	59.3	Low	80	Confident	139 Å²	139	61 Å²	61	73%	0.728	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-75.3	-19.2	175.6	-73.9	168.5	0	0	0	112.7	G72	G72-L74 PolarHBondContact O-N 2.66Å
75	R	73.7	Confident	80.1	Confident	25 Å²	25	61 Å²	61	9%	0.094	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.8	-177.1	-63.3	178.8	170.8	154	3.1	112.7	E69 G72 G73 G77 Y78 Y79 D106	E69-R75 VanDerWaalsContact CD-NH2 3.3Å; E69-R75 HydrophobicContact CG-CG 3.93Å; E69-R75 VanDerWaalsContact CG-NE 3.29Å; E69-R75 VanDerWaalsContact O-CZ 3.31Å; E69-R75 PolarHBondContact O-NH2 3.49Å; E69-R75 IonicContact OE1-CZ 2.88Å; E69-R75 IonicContact OE1-NE 3.74Å; E69-R75 PolarHBondContact OE1-NE 3.3Å; E69-R75 IonicContact OE1-NH2 2.73Å; E69-R75 PolarHBondContact OE1-NH2 3.19Å; G72-R75 WeakPolarHBondContact O-CB 3.29Å; G72-R75 PolarHBondContact O-N 2.93Å; G73-R75 VanDerWaalsContact C-N 3.29Å; G73-R75 PolarHBondContact O-N 2.88Å; R75-G77 PolarHBondContact O-N 3.05Å; R75-Y78 WeakPolarHBondContact O-CA 3.46Å; R75-Y78 WeakPolarHBondContact O-CB 3.41Å; R75-Y78 PolarHBondContact O-N 3.32Å; R75-Y79 HydrophobicContact CB-CE1 4.49Å; R75-Y79 HydrophobicContact CB-CE2 4.01Å; R75-Y79 PolarHBondContact O-N 3.1Å; R75-D106 IonicContact NH1-OD2 3.72Å
76	D	83	Confident	80.5	Confident	42 Å²	42	60.9 Å²	60.9	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-38.3	-173.5	-71.8	3	0	0	0	111.8	Y78 Y79 I80 R109 V110	D76-Y78 PolarHBondContact O-N 2.73Å; D76-Y79 PolarHBondContact O-N 3.47Å; D76-I80 PolarHBondContact O-N 3.2Å; D76-R109 IonicContact OD1-CZ 3.68Å; D76-R109 IonicContact OD1-NE 3.85Å; D76-R109 IonicContact OD1-NH2 2.71Å; D76-R109 PolarHBondContact OD1-NH2 2.94Å; D76-R109 IonicContact OD2-CZ 3.41Å; D76-R109 IonicContact OD2-NE 3.31Å; D76-R109 PolarHBondContact OD2-NE 3.36Å; D76-R109 IonicContact OD2-NH2 2.97Å; D76-R109 PolarHBondContact OD2-NH2 3.5Å; D76-V110 HydrophobicContact CB-CG2 3.8Å
77	G	88.1	Confident	81	Confident	45 Å²	45	60.6 Å²	60.6	46%	0.464	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-32.9	175.3	0	0	0	0	0	113.7	R75 Y79	R75-G77 PolarHBondContact O-N 3.05Å; G77-Y79 VanDerWaalsContact C-N 3.33Å
78	Y	90.1	Very high	81.9	Confident	61 Å²	61	60.1 Å²	60.1	24%	0.239	32%	0.315	C	S	.	.	H	α-helix	trans	-72.6	-27.3	176.6	-55.6	-39.7	0	0	0	112.4	K11 V44 W63 T65 R75 D76	K11-Y78 WeakPolarHBondContact CE-O 3.3Å; K11-Y78 PolarHBondContact NZ-O 3.34Å; V44-Y78 HydrophobicContact CB-CD1 4.05Å; V44-Y78 HydrophobicContact CB-CD2 4.39Å; V44-Y78 HydrophobicContact CB-CE1 3.89Å; V44-Y78 HydrophobicContact CB-CE2 4.25Å; V44-Y78 HydrophobicContact CB-CG 4.31Å; V44-Y78 HydrophobicContact CG1-CD1 3.63Å; V44-Y78 HydrophobicContact CG1-CE1 3.29Å; V44-Y78 HydrophobicContact CG1-CG 4.38Å; W63-Y78 HydrophobicContact CE3-CD1 4.18Å; W63-Y78 AromaticContact CZ3-CD1 3.99Å; W63-Y78 HydrophobicContact CZ3-CD1 3.99Å; T65-Y78 HydrophobicContact CG2-CD2 4.36Å; R75-Y78 WeakPolarHBondContact O-CA 3.46Å; R75-Y78 WeakPolarHBondContact O-CB 3.41Å; R75-Y78 PolarHBondContact O-N 3.32Å; D76-Y78 PolarHBondContact O-N 2.73Å
79	Y	92.7	Very high	83.1	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-82.8	-24.9	-175.7	-56.4	-22.4	0	0	0	113.7	I13 V15 R75 D76 G77 K81 S82 D106 I107 V110 C111	I13-Y79 HydrophobicContact CB-CD1 4.39Å; I13-Y79 HydrophobicContact CD1-CD1 3.53Å; I13-Y79 HydrophobicContact CD1-CE1 4.11Å; I13-Y79 HydrophobicContact CD1-CG 4.03Å; I13-Y79 HydrophobicContact CG2-CD1 4.17Å; V15-Y79 HydrophobicContact CG1-CE1 3.62Å; R75-Y79 HydrophobicContact CB-CE1 4.49Å; R75-Y79 HydrophobicContact CB-CE2 4.01Å; R75-Y79 PolarHBondContact O-N 3.1Å; D76-Y79 PolarHBondContact O-N 3.47Å; G77-Y79 VanDerWaalsContact C-N 3.33Å; Y79-K81 PolarHBondContact O-N 3Å; Y79-S82 WeakPolarHBondContact O-CB 3.35Å; Y79-S82 PolarHBondContact O-N 2.79Å; Y79-S82 PolarHBondContact O-OG 2.97Å; Y79-D106 HydrophobicContact CE2-CB 3.93Å; Y79-I107 HydrophobicContact CE2-CG1 4.36Å; Y79-V110 HydrophobicContact CD2-CB 4.4Å; Y79-V110 HydrophobicContact CD2-CG2 4.15Å; Y79-C111 PolarHBondContact O-SG 3.42Å
80	I	92.9	Very high	84.7	Confident	93 Å²	93	53.3 Å²	53.3	48%	0.477	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	128.6	-178.4	-66.4	170.8	0	0	0	111.5	K11 D76 S82 V110	K11-I80 PolarHBondContact NZ-O 3.18Å; D76-I80 PolarHBondContact O-N 3.2Å; I80-S82 VanDerWaalsContact C-N 3.27Å; I80-S82 PolarHBondContact O-N 2.85Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å
81	K	93.8	Very high	86.6	Confident	185 Å²	185	44.3 Å²	44.3	80%	0.804	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	32.1	179.1	-60.9	176.2	178.1	-175.5	0	114.4	Y79	Y79-K81 PolarHBondContact O-N 3Å
82	S	97	Very high	88.7	Confident	8 Å²	8	38.4 Å²	38.4	6%	0.056	22%	0.224	C	C	.	.			trans	-71.6	139.2	169.8	-55.9	0	0	0	0	109.9	K11 I13 Y79 I80 I114	K11-S82 WeakPolarHBondContact CE-OG 3.47Å; I13-S82 WeakPolarHBondContact CG2-OG 3.27Å; Y79-S82 WeakPolarHBondContact O-CB 3.35Å; Y79-S82 PolarHBondContact O-N 2.79Å; Y79-S82 PolarHBondContact O-OG 2.97Å; I80-S82 VanDerWaalsContact C-N 3.27Å; I80-S82 PolarHBondContact O-N 2.85Å; S82-I114 WeakPolarHBondContact O-CG2 3.49Å
83	D	98	Very high	90.7	Very high	65 Å²	65	39 Å²	39	35%	0.348	23%	0.225	S	C	.	.	S	Bend	trans	-88.5	-28	176.4	-60.5	-64.7	0	0	0	111.3	Y10 K11 P115 L167	Y10-D83 VanDerWaalsContact CA-OD2 3.31Å; Y10-D83 WeakPolarHBondContact CA-OD2 3.09Å; Y10-D83 HydrophobicContact CD1-CB 4.21Å; K11-D83 PolarHBondContact N-OD2 3.38Å; K11-D83 PolarHBondContact O-N 2.82Å; D83-P115 WeakPolarHBondContact O-CD 3.43Å; D83-L167 HydrophobicContact CB-CD2 4.16Å; D83-L167 WeakPolarHBondContact O-CD2 3.47Å
84	C	98.4	Very high	92.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	168.1	-179.8	57.4	0	0	0	0	112.4	K11 L12 I13 P115 L163 L167	K11-C84 PolarHBondContact O-N 3.08Å; L12-C84 WeakPolarHBondContact CA-O 3.14Å; I13-C84 PolarHBondContact N-O 3.34Å; I13-C84 VanDerWaalsContact N-O 3.08Å; C84-P115 VanDerWaalsContact CA-O 3.29Å; C84-P115 WeakPolarHBondContact CA-O 3.49Å; C84-P115 WeakPolarHBondContact CB-O 3.3Å; C84-L163 HydrophobicContact CB-CD1 4.25Å; C84-L163 HydrophobicContact CB-CD2 3.65Å; C84-L163 HydrophobicContact CB-CG 4.45Å; C84-L167 HydrophobicContact CB-CD1 4.01Å; C84-L167 HydrophobicContact CB-CD2 4.5Å
85	A	98	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.2	179.2	0	0	0	0	0	113.6	I13 I107 I114 P115 M116 V117	I13-A85 HydrophobicContact CD1-CB 4.06Å; I13-A85 HydrophobicContact CG1-CB 3.62Å; I13-A85 CarbonylContact O-C 3.55Å; I13-A85 WeakPolarHBondContact O-CA 3.18Å; A85-I107 HydrophobicContact CB-CD1 3.92Å; A85-I114 HydrophobicContact CB-CD1 4.15Å; A85-P115 PolarHBondContact N-O 3.28Å; A85-M116 HydrophobicContact CB-CB 4.14Å; A85-M116 HydrophobicContact CB-CG 3.98Å; A85-M116 HydrophobicContact CB-SD 4.27Å; A85-M116 VanDerWaalsContact O-CA 3.25Å; A85-M116 WeakPolarHBondContact O-CA 3.38Å; A85-V117 PolarHBondContact O-N 2.99Å
86	I	98.5	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.5	162.5	-64	176.8	0	0	0	107.9	L12 I13 L14 V15 F25 V117 V119 P159 L163	L12-I86 HydrophobicContact CD1-CD1 3.96Å; L12-I86 HydrophobicContact CD1-CG1 4.21Å; L12-I86 HydrophobicContact CD2-CB 4.43Å; L12-I86 HydrophobicContact CD2-CD1 4.1Å; L12-I86 HydrophobicContact CD2-CG1 4.13Å; L12-I86 HydrophobicContact CG-CG1 4.5Å; I13-I86 PolarHBondContact O-N 2.76Å; L14-I86 HydrophobicContact CD1-CB 3.71Å; L14-I86 HydrophobicContact CD1-CG2 3.57Å; V15-I86 PolarHBondContact N-O 2.88Å; F25-I86 HydrophobicContact CE1-CD1 4.08Å; I86-V117 WeakPolarHBondContact CA-O 3.44Å; I86-V117 HydrophobicContact CG1-CB 4.42Å; I86-V119 HydrophobicContact CG2-CB 4.3Å; I86-V119 HydrophobicContact CG2-CG2 3.73Å; I86-P159 HydrophobicContact CD1-CB 3.77Å; I86-P159 HydrophobicContact CG1-CB 4.45Å; I86-L163 HydrophobicContact CD1-CD1 4.22Å; I86-L163 HydrophobicContact CG1-CD1 3.92Å
87	I	97.9	Very high	96.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.2	171.2	-52.3	176.3	0	0	0	107.2	V15 V100 W103 Y104 I107 V117 L118 V119	V15-I87 HydrophobicContact CG2-CB 4.22Å; V15-I87 HydrophobicContact CG2-CG1 3.78Å; V15-I87 HydrophobicContact CG2-CG2 4.26Å; I87-V100 HydrophobicContact CG2-CG1 4.15Å; I87-V100 HydrophobicContact CG2-CG2 4.29Å; I87-W103 HydrophobicContact CG2-CB 3.98Å; I87-Y104 HydrophobicContact CD1-CD2 4.2Å; I87-I107 HydrophobicContact CD1-CD1 4.05Å; I87-I107 HydrophobicContact CG1-CD1 3.91Å; I87-V117 PolarHBondContact N-O 3.34Å; I87-L118 HydrophobicContact CB-CD1 4.18Å; I87-L118 HydrophobicContact CG2-CD1 4.19Å; I87-L118 CarbonylContact O-C 3.56Å; I87-L118 WeakPolarHBondContact O-CA 3.49Å; I87-V119 PolarHBondContact O-N 2.91Å
88	M	98.4	Very high	96.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.6	-177.3	-171.7	178.2	-71.8	0	0	111.2	L14 V15 G16 V20 K22 F25 V119 N121	L14-M88 HydrophobicContact CD1-CB 4.48Å; L14-M88 HydrophobicContact CD1-CE 4.32Å; V15-M88 PolarHBondContact O-N 3.1Å; G16-M88 VanDerWaalsContact CA-O 3.32Å; G16-M88 WeakPolarHBondContact CA-O 3.28Å; V20-M88 HydrophobicContact CB-CG 4.29Å; V20-M88 HydrophobicContact CG2-CB 3.99Å; V20-M88 HydrophobicContact CG2-CG 3.84Å; V20-M88 HydrophobicContact CG2-SD 4.05Å; K22-M88 HydrophobicContact CG-CB 4.27Å; K22-M88 HydrophobicContact CG-SD 4.17Å; F25-M88 HydrophobicContact CB-CE 3.81Å; F25-M88 HydrophobicContact CD1-CE 3.86Å; F25-M88 HydrophobicContact CD2-CE 4.34Å; F25-M88 HydrophobicContact CG-CE 3.75Å; M88-V119 WeakPolarHBondContact CA-O 3.33Å; M88-V119 HydrophobicContact CE-CG1 4.17Å; M88-V119 HydrophobicContact CG-CB 4.46Å; M88-V119 HydrophobicContact CG-CG1 4.35Å; M88-N121 HydrophobicContact CG-CB 3.92Å; M88-N121 HydrophobicContact SD-CB 3.87Å
89	F	98.3	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	170.1	166.6	71.4	-85.7	0	0	0	110.4	V91 Y97 V100 L118 V119 G120 N121 V130 I135 Y145	F89-V91 HydrophobicContact CE2-CG1 3.93Å; F89-Y97 AromaticContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD2-CD2 4.02Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.82Å; F89-Y97 HydrophobicContact CE1-CD2 3.82Å; F89-Y97 HydrophobicContact CE1-CE2 4.29Å; F89-Y97 AromaticContact CE2-CD2 3.88Å; F89-Y97 HydrophobicContact CE2-CD2 3.88Å; F89-Y97 HydrophobicContact CE2-CG 4.32Å; F89-Y97 HydrophobicContact CG-CD2 4.07Å; F89-Y97 AromaticContact CZ-CD2 3.77Å; F89-Y97 HydrophobicContact CZ-CD2 3.77Å; F89-Y97 HydrophobicContact CZ-CE2 4.33Å; F89-V100 HydrophobicContact CB-CG2 4.03Å; F89-V100 HydrophobicContact CD1-CG2 4.04Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F89-L118 HydrophobicContact CD1-CD1 3.79Å; F89-L118 HydrophobicContact CD1-CG 4.26Å; F89-L118 HydrophobicContact CE1-CD1 3.95Å; F89-L118 HydrophobicContact CE1-CD2 4.15Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; F89-V119 VanDerWaalsContact CD1-O 3.26Å; F89-V119 WeakPolarHBondContact CD1-O 3.36Å; F89-V119 PolarHBondContact N-O 3.31Å; F89-G120 VanDerWaalsContact CZ-CA 3.45Å; F89-N121 PolarHBondContact O-N 3.36Å; F89-V130 HydrophobicContact CE2-CB 4.31Å; F89-V130 HydrophobicContact CE2-CG1 4Å; F89-I135 HydrophobicContact CZ-CD1 4.05Å; F89-I135 HydrophobicContact CZ-CG1 4.27Å; F89-I135 HydrophobicContact CZ-CG2 4.3Å; F89-Y145 AromaticContact CE1-CE2 3.76Å; F89-Y145 HydrophobicContact CE1-CE2 3.76Å; F89-Y145 AromaticContact CZ-CE2 3.87Å; F89-Y145 HydrophobicContact CZ-CE2 3.87Å
90	D	97.7	Very high	97	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.5	178.9	-179.4	-7.3	0	0	0	109.8	V20 S92 S93 T96 K122	V20-D90 HydrophobicContact CB-CB 4.28Å; V20-D90 HydrophobicContact CG1-CB 4.11Å; D90-S92 PolarHBondContact O-N 3.37Å; D90-S92 PolarHBondContact OD1-N 3.3Å; D90-S92 PolarHBondContact OD1-OG 3.26Å; D90-S92 PolarHBondContact OD2-OG 3.47Å; D90-S93 PolarHBondContact O-N 3.47Å; D90-T96 HydrophobicContact CB-CG2 4.38Å; D90-T96 PolarHBondContact N-OG1 3.2Å; D90-T96 PolarHBondContact O-OG1 2.93Å; D90-K122 WeakPolarHBondContact OD1-CD 3.14Å; D90-K122 WeakPolarHBondContact OD2-CD 3.39Å; D90-K122 VanDerWaalsContact OD2-CE 3.25Å; D90-K122 WeakPolarHBondContact OD2-CE 3.25Å; D90-K122 IonicContact OD2-NZ 2.66Å; D90-K122 PolarHBondContact OD2-NZ 3.33Å
91	V	97.6	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.5	-178.7	-55.9	0	0	0	0	113.2	F89 S93 N121 K122 V123 V125 R128 Q129 V130	F89-V91 HydrophobicContact CE2-CG1 3.93Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-N121 WeakPolarHBondContact CG2-O 3.28Å; V91-N121 PolarHBondContact N-O 3.24Å; V91-K122 WeakPolarHBondContact CG2-O 3.47Å; V91-V123 HydrophobicContact CG1-CG1 3.97Å; V91-V123 HydrophobicContact CG2-CG1 4.1Å; V91-V125 HydrophobicContact CG2-CG2 4.09Å; V91-R128 HydrophobicContact CB-CG 4.1Å; V91-R128 HydrophobicContact CG2-CG 4.12Å; V91-Q129 PolarHBondContact O-N 2.95Å; V91-V130 PolarHBondContact O-N 2.86Å
92	S	96.9	Very high	97.1	Very high	43 Å²	43	36.8 Å²	36.8	30%	0.301	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.7	172.3	79	0	0	0	0	113.4	D90 Q129	D90-S92 PolarHBondContact O-N 3.37Å; D90-S92 PolarHBondContact OD1-N 3.3Å; D90-S92 PolarHBondContact OD1-OG 3.26Å; D90-S92 PolarHBondContact OD2-OG 3.47Å; S92-Q129 WeakPolarHBondContact O-CG 3.33Å
93	S	96.9	Very high	97	Very high	34 Å²	34	36.7 Å²	36.7	24%	0.238	18%	0.182	C	C	.	.			trans	-136.3	99.4	-174.7	-172.5	0	0	0	0	112.5	D90 V91 I95 T96	D90-S93 PolarHBondContact O-N 3.47Å; V91-S93 VanDerWaalsContact C-N 3.31Å; S93-I95 PolarHBondContact O-N 2.96Å; S93-I95 VanDerWaalsContact O-N 3.15Å; S93-I95 WeakPolarHBondContact OG-CG2 3.39Å; S93-T96 PolarHBondContact O-N 3.4Å; S93-T96 PolarHBondContact O-OG1 3.1Å
94	R	97	Very high	96.8	Very high	155 Å²	155	35.8 Å²	35.8	59%	0.585	17%	0.174	S	C	*	.	H	α-helix	trans	-55.8	-34.8	-177.9	-60.9	-172.8	-173.8	162.7	12	113.7	T96 Y97 K98 Q129 V130	R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.28Å; R94-Y97 PolarHBondContact O-N 3.33Å; R94-K98 PolarHBondContact O-N 3.13Å; R94-Q129 HydrophobicContact CG-CB 3.91Å; R94-Q129 PolarHBondContact NE-O 3.4Å; R94-Q129 VanDerWaalsContact NE-O 3.1Å; R94-V130 HydrophobicContact CG-CG2 4.27Å
95	I	96.1	Very high	96.5	Very high	92 Å²	92	42 Å²	42	47%	0.472	20%	0.198	S	C	.	.	H	α-helix	trans	-62.9	-35.8	-179.4	-171.7	60	0	0	0	111.5	S93 Y97 K98 N99	S93-I95 PolarHBondContact O-N 2.96Å; S93-I95 VanDerWaalsContact O-N 3.15Å; S93-I95 WeakPolarHBondContact OG-CG2 3.39Å; I95-Y97 VanDerWaalsContact C-N 3.35Å; I95-Y97 PolarHBondContact O-N 3.38Å; I95-K98 HydrophobicContact CD1-CD 4.31Å; I95-K98 WeakPolarHBondContact O-CB 3.1Å; I95-K98 PolarHBondContact O-N 2.9Å; I95-N99 PolarHBondContact O-N 2.93Å; I95-N99 PolarHBondContact O-ND2 3.49Å
96	T	97.1	Very high	96.2	Very high	10 Å²	10	42.5 Å²	42.5	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-36.7	-179.4	69.2	0	0	0	0	111.8	D17 V20 D90 S93 R94 N99 V100	D17-T96 HydrophobicContact CB-CG2 3.86Å; D17-T96 WeakPolarHBondContact OD2-CA 3.45Å; V20-T96 HydrophobicContact CG1-CG2 3.75Å; D90-T96 HydrophobicContact CB-CG2 4.38Å; D90-T96 PolarHBondContact N-OG1 3.2Å; D90-T96 PolarHBondContact O-OG1 2.93Å; S93-T96 PolarHBondContact O-N 3.4Å; S93-T96 PolarHBondContact O-OG1 3.1Å; R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.28Å; T96-N99 PolarHBondContact O-N 2.88Å; T96-V100 PolarHBondContact O-N 3.42Å
97	Y	97.8	Very high	96	Very high	39 Å²	39	42.5 Å²	42.5	15%	0.153	20%	0.2	C	C	.	.	H	α-helix	trans	-70.4	-40.6	172	-177.8	-109.7	0	0	0	111.9	F89 R94 I95 N99 V100 L118 V130 Q134 I135 Q136 F137	F89-Y97 AromaticContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD2-CD2 4.02Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.82Å; F89-Y97 HydrophobicContact CE1-CD2 3.82Å; F89-Y97 HydrophobicContact CE1-CE2 4.29Å; F89-Y97 AromaticContact CE2-CD2 3.88Å; F89-Y97 HydrophobicContact CE2-CD2 3.88Å; F89-Y97 HydrophobicContact CE2-CG 4.32Å; F89-Y97 HydrophobicContact CG-CD2 4.07Å; F89-Y97 AromaticContact CZ-CD2 3.77Å; F89-Y97 HydrophobicContact CZ-CD2 3.77Å; F89-Y97 HydrophobicContact CZ-CE2 4.33Å; R94-Y97 PolarHBondContact O-N 3.33Å; I95-Y97 VanDerWaalsContact C-N 3.35Å; I95-Y97 PolarHBondContact O-N 3.38Å; Y97-N99 PolarHBondContact O-N 3.41Å; Y97-N99 VanDerWaalsContact O-N 3.17Å; Y97-V100 HydrophobicContact CD2-CG2 4.15Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.05Å; Y97-V100 WeakPolarHBondContact O-CG2 3.18Å; Y97-V100 PolarHBondContact O-N 3.01Å; Y97-L118 HydrophobicContact CE2-CD2 4.37Å; Y97-V130 HydrophobicContact CD1-CG1 4.03Å; Y97-V130 HydrophobicContact CD2-CG1 4.43Å; Y97-V130 HydrophobicContact CG-CG1 3.92Å; Y97-Q134 WeakPolarHBondContact CE1-O 3.12Å; Y97-Q134 PolarHBondContact OH-O 2.88Å; Y97-Q134 VanDerWaalsContact OH-O 3.13Å; Y97-I135 HydrophobicContact CE2-CB 4.43Å; Y97-I135 HydrophobicContact CE2-CG1 4.43Å; Y97-I135 HydrophobicContact CE2-CG2 3.96Å; Y97-I135 VanDerWaalsContact OH-CA 3.29Å; Y97-I135 WeakPolarHBondContact OH-CA 3.4Å; Y97-Q136 PolarHBondContact OH-N 3.33Å; Y97-F137 HydrophobicContact CE2-CB 4.44Å; Y97-F137 PolarHBondContact OH-N 3.05Å; Y97-F137 VanDerWaalsContact OH-N 3.13Å
98	K	96.5	Very high	95.8	Very high	157 Å²	157	45.3 Å²	45.3	68%	0.683	22%	0.218	S	C	*	.	H	α-helix	trans	-58.8	-27.7	174.9	-173.7	178	178.8	-179.5	0	112.7	R94 I95 P101	R94-K98 PolarHBondContact O-N 3.13Å; I95-K98 HydrophobicContact CD1-CD 4.31Å; I95-K98 WeakPolarHBondContact O-CB 3.1Å; I95-K98 PolarHBondContact O-N 2.9Å; K98-P101 WeakPolarHBondContact O-CD 2.96Å
99	N	95.6	Very high	95.5	Very high	41 Å²	41	51.9 Å²	51.9	22%	0.219	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11	178.5	-72.2	-24.1	0	0	0	114.3	D17 I95 T96 Y97 P101 N102 W103	D17-N99 WeakPolarHBondContact OD1-CB 3.29Å; D17-N99 PolarHBondContact OD2-ND2 3.26Å; I95-N99 PolarHBondContact O-N 2.93Å; I95-N99 PolarHBondContact O-ND2 3.49Å; T96-N99 PolarHBondContact O-N 2.88Å; Y97-N99 PolarHBondContact O-N 3.41Å; Y97-N99 VanDerWaalsContact O-N 3.17Å; N99-P101 VanDerWaalsContact C-CD 3.46Å; N99-P101 VanDerWaalsContact C-N 3.34Å; N99-N102 WeakPolarHBondContact O-CB 3.33Å; N99-N102 PolarHBondContact O-N 3.14Å; N99-W103 VanDerWaalsContact O-CD1 3.24Å; N99-W103 PolarHBondContact O-N 3.43Å
100	V	96.4	Very high	95.3	Very high	1 Å²	1	54 Å²	54	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-51.1	-44.3	177.4	167.3	0	0	0	0	113	I87 F89 T96 Y97 N102 W103 Y104 L118 F137	I87-V100 HydrophobicContact CG2-CG1 4.15Å; I87-V100 HydrophobicContact CG2-CG2 4.29Å; F89-V100 HydrophobicContact CB-CG2 4.03Å; F89-V100 HydrophobicContact CD1-CG2 4.04Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; T96-V100 PolarHBondContact O-N 3.42Å; Y97-V100 HydrophobicContact CD2-CG2 4.15Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.05Å; Y97-V100 WeakPolarHBondContact O-CG2 3.18Å; Y97-V100 PolarHBondContact O-N 3.01Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.48Å; V100-W103 PolarHBondContact O-N 3.38Å; V100-Y104 PolarHBondContact O-N 2.85Å; V100-L118 HydrophobicContact CB-CD1 4.44Å; V100-L118 HydrophobicContact CG1-CD1 3.61Å; V100-L118 HydrophobicContact CG2-CD1 3.9Å; V100-F137 HydrophobicContact CG1-CD1 3.47Å; V100-F137 VanDerWaalsContact CG1-CD1 3.47Å; V100-F137 HydrophobicContact CG1-CE1 3.75Å; V100-F137 HydrophobicContact CG1-CG 4.06Å
101	P	95.6	Very high	95	Very high	53 Å²	53	54.1 Å²	54.1	34%	0.344	26%	0.257	S	S	.	.	H	α-helix	trans	-58	-34.9	176	-25	34.2	0	0	0	114	K98 N99 R105 F137	K98-P101 WeakPolarHBondContact O-CD 2.96Å; N99-P101 VanDerWaalsContact C-CD 3.46Å; N99-P101 VanDerWaalsContact C-N 3.34Å; P101-R105 VanDerWaalsContact O-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.31Å; P101-R105 PolarHBondContact O-N 3.09Å; P101-F137 HydrophobicContact CB-CD2 4.41Å; P101-F137 HydrophobicContact CB-CE2 3.72Å; P101-F137 HydrophobicContact CB-CZ 4.2Å; P101-F137 HydrophobicContact CG-CD2 3.83Å; P101-F137 HydrophobicContact CG-CE2 3.65Å; P101-F137 HydrophobicContact CG-CZ 4.37Å
102	N	93.4	Very high	94.3	Very high	62 Å²	62	62.6 Å²	62.6	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-45.9	177.5	-65.5	-43.7	0	0	0	110.9	N99 V100 Y104 R105 D106	N99-N102 WeakPolarHBondContact O-CB 3.33Å; N99-N102 PolarHBondContact O-N 3.14Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.48Å; N102-Y104 PolarHBondContact O-N 2.8Å; N102-R105 PolarHBondContact O-N 3.19Å; N102-R105 PolarHBondContact OD1-NH1 3.07Å; N102-R105 PolarHBondContact OD1-NH2 3.28Å; N102-D106 PolarHBondContact O-N 2.77Å
103	W	94	Very high	94	Very high	7 Å²	7	67.8 Å²	67.8	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-44.1	176.5	-70	110.2	0	0	0	112.2	V15 G16 D17 I87 N99 V100 D106 I107	V15-W103 HydrophobicContact CB-CD2 4.26Å; V15-W103 HydrophobicContact CB-CE3 3.62Å; V15-W103 HydrophobicContact CB-CZ3 3.88Å; V15-W103 HydrophobicContact CG1-CE3 4.31Å; V15-W103 HydrophobicContact CG1-CZ3 4.35Å; V15-W103 HydrophobicContact CG2-CB 4.12Å; V15-W103 HydrophobicContact CG2-CD2 4.43Å; V15-W103 HydrophobicContact CG2-CE3 4.08Å; V15-W103 HydrophobicContact CG2-CG 4.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.37Å; D17-W103 PolarHBondContact OD1-NE1 3.19Å; I87-W103 HydrophobicContact CG2-CB 3.98Å; N99-W103 VanDerWaalsContact O-CD1 3.24Å; N99-W103 PolarHBondContact O-N 3.43Å; V100-W103 PolarHBondContact O-N 3.38Å; W103-D106 PolarHBondContact O-N 2.82Å; W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 3.38Å; W103-I107 VanDerWaalsContact O-N 3.1Å
104	Y	95	Very high	94	Very high	46 Å²	46	67.3 Å²	67.3	18%	0.18	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-49.4	175.2	176.8	-95.3	0	0	0	111.6	I87 V100 N102 D106 I107 T108 M116 F137 R141 L143	I87-Y104 HydrophobicContact CD1-CD2 4.2Å; V100-Y104 PolarHBondContact O-N 2.85Å; N102-Y104 PolarHBondContact O-N 2.8Å; Y104-D106 VanDerWaalsContact C-N 3.32Å; Y104-D106 PolarHBondContact O-N 3.06Å; Y104-I107 PolarHBondContact O-N 3.09Å; Y104-T108 HydrophobicContact CD1-CG2 4.09Å; Y104-T108 HydrophobicContact CD2-CG2 4.21Å; Y104-T108 HydrophobicContact CE1-CG2 3.64Å; Y104-T108 HydrophobicContact CE2-CG2 3.78Å; Y104-T108 HydrophobicContact CG-CG2 4.36Å; Y104-T108 VanDerWaalsContact CZ-CG2 3.47Å; Y104-T108 WeakPolarHBondContact O-CG2 3.38Å; Y104-T108 PolarHBondContact O-N 2.99Å; Y104-T108 PolarHBondContact O-OG1 3.42Å; Y104-M116 HydrophobicContact CD2-SD 4.04Å; Y104-M116 HydrophobicContact CE2-CE 4.09Å; Y104-M116 HydrophobicContact CE2-SD 4.04Å; Y104-F137 HydrophobicContact CD1-CE1 4.35Å; Y104-F137 AromaticContact CD1-CZ 3.8Å; Y104-F137 HydrophobicContact CD1-CZ 3.8Å; Y104-F137 HydrophobicContact CD2-CE1 4.12Å; Y104-F137 HydrophobicContact CD2-CZ 4.39Å; Y104-F137 AromaticContact CG-CE1 3.8Å; Y104-F137 HydrophobicContact CG-CE1 3.8Å; Y104-F137 AromaticContact CG-CZ 3.67Å; Y104-F137 HydrophobicContact CG-CZ 3.67Å; Y104-R141 HydrophobicContact CD1-CG 4.29Å; Y104-R141 HydrophobicContact CE1-CB 4.38Å; Y104-R141 HydrophobicContact CE1-CG 3.87Å; Y104-R141 HydrophobicContact CE2-CB 3.96Å; Y104-R141 HydrophobicContact CE2-CG 4.26Å; Y104-L143 HydrophobicContact CD2-CD1 4Å; Y104-L143 HydrophobicContact CE2-CD1 4.22Å; Y104-L143 HydrophobicContact CE2-CD2 4.06Å
105	R	92.7	Very high	94.1	Very high	131 Å²	131	61.6 Å²	61.6	49%	0.494	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-45	178.4	-179.6	-167.9	64.6	-145.9	-9.9	111.8	P101 N102 I107 T108 R109	P101-R105 VanDerWaalsContact O-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.31Å; P101-R105 PolarHBondContact O-N 3.09Å; N102-R105 PolarHBondContact O-N 3.19Å; N102-R105 PolarHBondContact OD1-NH1 3.07Å; N102-R105 PolarHBondContact OD1-NH2 3.28Å; R105-I107 VanDerWaalsContact C-N 3.31Å; R105-I107 PolarHBondContact O-N 2.92Å; R105-T108 WeakPolarHBondContact CA-OG1 3.36Å; R105-T108 PolarHBondContact O-N 3.34Å; R105-T108 PolarHBondContact O-OG1 3.34Å; R105-T108 VanDerWaalsContact O-OG1 3.1Å; R105-R109 WeakPolarHBondContact O-CB 3.34Å; R105-R109 PolarHBondContact O-N 3.42Å
106	D	91.6	Very high	94.2	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-37.1	-178.6	-64.8	-7.4	0	0	0	110.9	R75 Y79 N102 W103 Y104	R75-D106 IonicContact NH1-OD2 3.72Å; Y79-D106 HydrophobicContact CE2-CB 3.93Å; N102-D106 PolarHBondContact O-N 2.77Å; W103-D106 PolarHBondContact O-N 2.82Å; Y104-D106 VanDerWaalsContact C-N 3.32Å; Y104-D106 PolarHBondContact O-N 3.06Å
107	I	93.7	Very high	94.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-52.6	172.6	-67.2	167.2	0	0	0	110.7	I13 V15 Y79 A85 I87 W103 Y104 R105 R109 V110 C111 I114 M116	I13-I107 HydrophobicContact CD1-CB 4.49Å; I13-I107 HydrophobicContact CD1-CD1 4.02Å; I13-I107 HydrophobicContact CD1-CG1 3.73Å; I13-I107 HydrophobicContact CD1-CG2 4.06Å; V15-I107 HydrophobicContact CG1-CD1 4.47Å; V15-I107 HydrophobicContact CG2-CD1 3.61Å; Y79-I107 HydrophobicContact CE2-CG1 4.36Å; A85-I107 HydrophobicContact CB-CD1 3.92Å; I87-I107 HydrophobicContact CD1-CD1 4.05Å; I87-I107 HydrophobicContact CG1-CD1 3.91Å; W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 3.38Å; W103-I107 VanDerWaalsContact O-N 3.1Å; Y104-I107 PolarHBondContact O-N 3.09Å; R105-I107 VanDerWaalsContact C-N 3.31Å; R105-I107 PolarHBondContact O-N 2.92Å; I107-R109 PolarHBondContact O-N 2.81Å; I107-V110 PolarHBondContact O-N 2.85Å; I107-C111 HydrophobicContact CG2-CB 4.21Å; I107-C111 PolarHBondContact O-N 2.9Å; I107-I114 HydrophobicContact CG2-CD1 4.1Å; I107-M116 HydrophobicContact CG2-CE 4.03Å; I107-M116 HydrophobicContact CG2-SD 4.03Å
108	T	93.7	Very high	94.3	Very high	59 Å²	59	55.3 Å²	55.3	36%	0.362	27%	0.274	S	S	.	.	H	α-helix	trans	-68.9	-15	-174.7	59.2	0	0	0	0	113.6	Y104 R105 V110 M116	Y104-T108 HydrophobicContact CD1-CG2 4.09Å; Y104-T108 HydrophobicContact CD2-CG2 4.21Å; Y104-T108 HydrophobicContact CE1-CG2 3.64Å; Y104-T108 HydrophobicContact CE2-CG2 3.78Å; Y104-T108 HydrophobicContact CG-CG2 4.36Å; Y104-T108 VanDerWaalsContact CZ-CG2 3.47Å; Y104-T108 WeakPolarHBondContact O-CG2 3.38Å; Y104-T108 PolarHBondContact O-N 2.99Å; Y104-T108 PolarHBondContact O-OG1 3.42Å; R105-T108 WeakPolarHBondContact CA-OG1 3.36Å; R105-T108 PolarHBondContact O-N 3.34Å; R105-T108 PolarHBondContact O-OG1 3.34Å; R105-T108 VanDerWaalsContact O-OG1 3.1Å; T108-V110 VanDerWaalsContact C-N 3.35Å; T108-M116 HydrophobicContact CG2-CE 3.98Å
109	R	92.2	Very high	94.4	Very high	139 Å²	139	47.9 Å²	47.9	53%	0.525	24%	0.241	S	C	.	.	H	α-helix	trans	-71.5	-30.8	170.9	-178.6	176.1	66.8	-155.1	-6.1	112.2	D76 R105 I107	D76-R109 IonicContact OD1-CZ 3.68Å; D76-R109 IonicContact OD1-NE 3.85Å; D76-R109 IonicContact OD1-NH2 2.71Å; D76-R109 PolarHBondContact OD1-NH2 2.94Å; D76-R109 IonicContact OD2-CZ 3.41Å; D76-R109 IonicContact OD2-NE 3.31Å; D76-R109 PolarHBondContact OD2-NE 3.36Å; D76-R109 IonicContact OD2-NH2 2.97Å; D76-R109 PolarHBondContact OD2-NH2 3.5Å; R105-R109 WeakPolarHBondContact O-CB 3.34Å; R105-R109 PolarHBondContact O-N 3.42Å; I107-R109 PolarHBondContact O-N 2.81Å
110	V	93.3	Very high	94.5	Very high	46 Å²	46	45.9 Å²	45.9	28%	0.279	23%	0.231	S	C	.	.	H	α-helix	trans	-107.4	-40.8	-172.4	-177.4	0	0	0	0	112.1	D76 Y79 I80 I107 T108	D76-V110 HydrophobicContact CB-CG2 3.8Å; Y79-V110 HydrophobicContact CD2-CB 4.4Å; Y79-V110 HydrophobicContact CD2-CG2 4.15Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; I107-V110 PolarHBondContact O-N 2.85Å; T108-V110 VanDerWaalsContact C-N 3.35Å
111	C	92.2	Very high	94.6	Very high	13 Å²	13	46 Å²	46	9%	0.088	23%	0.231	C	C	.	.	S	Bend	trans	-94.7	141.1	-179.1	-59.8	0	0	0	0	110.5	Y79 I107 I114	Y79-C111 PolarHBondContact O-SG 3.42Å; I107-C111 HydrophobicContact CG2-CB 4.21Å; I107-C111 PolarHBondContact O-N 2.9Å; C111-I114 HydrophobicContact CB-CD1 3.87Å; C111-I114 HydrophobicContact CB-CG1 4.2Å; C111-I114 HydrophobicContact CB-CG2 4.41Å
112	E	82.6	Confident	94.6	Very high	177 Å²	177	46.2 Å²	46.2	83%	0.827	23%	0.227	S	C	*	.			trans	-60.6	178.6	159.4	-64.4	-179	-176.3	0	0	110.5	I114	E112-I114 WeakPolarHBondContact O-CG2 3.39Å; E112-I114 PolarHBondContact O-N 3.2Å
113	T	91.8	Very high	94.7	Very high	152 Å²	152	43.7 Å²	43.7	93%	0.933	21%	0.213	S	C	*	.	S	Bend	trans	-60.1	94.4	-179.7	-54.2	0	0	0	0	111.7
114	I	96.7	Very high	94.6	Very high	24 Å²	24	45.2 Å²	45.2	12%	0.123	22%	0.222	C	C	.	.			trans	-103.3	149.5	176.7	59.7	173.6	0	0	0	111.4	S82 A85 I107 C111 E112 M116	S82-I114 WeakPolarHBondContact O-CG2 3.49Å; A85-I114 HydrophobicContact CB-CD1 4.15Å; I107-I114 HydrophobicContact CG2-CD1 4.1Å; C111-I114 HydrophobicContact CB-CD1 3.87Å; C111-I114 HydrophobicContact CB-CG1 4.2Å; C111-I114 HydrophobicContact CB-CG2 4.41Å; E112-I114 WeakPolarHBondContact O-CG2 3.39Å; E112-I114 PolarHBondContact O-N 3.2Å; I114-M116 HydrophobicContact CG1-CE 3.85Å; I114-M116 HydrophobicContact CG1-CG 4.19Å; I114-M116 VanDerWaalsContact O-CG 3.27Å; I114-M116 WeakPolarHBondContact O-CG 3.35Å; I114-M116 PolarHBondContact O-N 3.38Å
115	P	97.8	Very high	94.4	Very high	35 Å²	35	44.9 Å²	44.9	23%	0.227	23%	0.225	C	C	.	.			trans	-59.2	129.7	171.8	-22.1	33.3	0	0	0	111.2	D83 C84 A85 W162 L163 R166 L167	D83-P115 WeakPolarHBondContact O-CD 3.43Å; C84-P115 VanDerWaalsContact CA-O 3.29Å; C84-P115 WeakPolarHBondContact CA-O 3.49Å; C84-P115 WeakPolarHBondContact CB-O 3.3Å; A85-P115 PolarHBondContact N-O 3.28Å; P115-W162 HydrophobicContact CB-CH2 4.28Å; P115-W162 HydrophobicContact CB-CZ3 3.81Å; P115-L163 HydrophobicContact CB-CD2 3.82Å; P115-R166 HydrophobicContact CB-CB 4.09Å; P115-R166 HydrophobicContact CB-CG 4.49Å; P115-R166 HydrophobicContact CG-CB 4.03Å; P115-L167 HydrophobicContact CG-CD2 4.16Å
116	M	98.1	Very high	94.1	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.3	176.8	-32.5	-177.3	-156.6	0	0	112.5	A85 Y104 I107 T108 I114 L143 Q144	A85-M116 HydrophobicContact CB-CB 4.14Å; A85-M116 HydrophobicContact CB-CG 3.98Å; A85-M116 HydrophobicContact CB-SD 4.27Å; A85-M116 VanDerWaalsContact O-CA 3.25Å; A85-M116 WeakPolarHBondContact O-CA 3.38Å; Y104-M116 HydrophobicContact CD2-SD 4.04Å; Y104-M116 HydrophobicContact CE2-CE 4.09Å; Y104-M116 HydrophobicContact CE2-SD 4.04Å; I107-M116 HydrophobicContact CG2-CE 4.03Å; I107-M116 HydrophobicContact CG2-SD 4.03Å; T108-M116 HydrophobicContact CG2-CE 3.98Å; I114-M116 HydrophobicContact CG1-CE 3.85Å; I114-M116 HydrophobicContact CG1-CG 4.19Å; I114-M116 VanDerWaalsContact O-CG 3.27Å; I114-M116 WeakPolarHBondContact O-CG 3.35Å; I114-M116 PolarHBondContact O-N 3.38Å; M116-L143 HydrophobicContact CB-CD2 3.9Å; M116-L143 HydrophobicContact CG-CD2 4.28Å; M116-L143 HydrophobicContact SD-CD2 4.48Å; M116-Q144 PolarHBondContact O-N 3.37Å
117	V	98.6	Very high	94	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	174.9	-174.2	0	0	0	0	109.2	A85 I86 I87 V119 Q144 Y146 P159 W162 L163	A85-V117 PolarHBondContact O-N 2.99Å; I86-V117 WeakPolarHBondContact CA-O 3.44Å; I86-V117 HydrophobicContact CG1-CB 4.42Å; I87-V117 PolarHBondContact N-O 3.34Å; V117-V119 HydrophobicContact CG1-CG2 3.91Å; V117-Q144 CarbonylContact C-O 3.57Å; V117-Q144 WeakPolarHBondContact CA-O 3.26Å; V117-Q144 HydrophobicContact CG1-CB 4.47Å; V117-Q144 HydrophobicContact CG2-CB 4.35Å; V117-Y146 HydrophobicContact CG1-CD2 3.74Å; V117-Y146 HydrophobicContact CG1-CE2 4.24Å; V117-P159 HydrophobicContact CB-CB 4.44Å; V117-P159 HydrophobicContact CG1-CB 4.05Å; V117-P159 HydrophobicContact CG1-CG 4.41Å; V117-W162 HydrophobicContact CG2-CD2 4.29Å; V117-W162 HydrophobicContact CG2-CE3 3.52Å; V117-W162 HydrophobicContact CG2-CZ3 3.96Å; V117-L163 HydrophobicContact CG2-CD1 4.2Å; V117-L163 HydrophobicContact CG2-CD2 3.95Å; V117-L163 HydrophobicContact CG2-CG 3.78Å
118	L	98.6	Very high	94.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.7	166.6	-178.7	66.3	0	0	0	109.1	I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146	I87-L118 HydrophobicContact CB-CD1 4.18Å; I87-L118 HydrophobicContact CG2-CD1 4.19Å; I87-L118 CarbonylContact O-C 3.56Å; I87-L118 WeakPolarHBondContact O-CA 3.49Å; F89-L118 HydrophobicContact CD1-CD1 3.79Å; F89-L118 HydrophobicContact CD1-CG 4.26Å; F89-L118 HydrophobicContact CE1-CD1 3.95Å; F89-L118 HydrophobicContact CE1-CD2 4.15Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; Y97-L118 HydrophobicContact CE2-CD2 4.37Å; V100-L118 HydrophobicContact CB-CD1 4.44Å; V100-L118 HydrophobicContact CG1-CD1 3.61Å; V100-L118 HydrophobicContact CG2-CD1 3.9Å; L118-I135 HydrophobicContact CD2-CG2 4.22Å; L118-H138 HydrophobicContact CB-CB 4.38Å; L118-H138 HydrophobicContact CD2-CB 3.96Å; L118-Q144 PolarHBondContact N-O 2.93Å; L118-Y145 HydrophobicContact CB-CD2 4.02Å; L118-Y145 HydrophobicContact CD2-CD2 3.84Å; L118-Y145 HydrophobicContact CD2-CE2 4.33Å; L118-Y145 HydrophobicContact CG-CD2 3.79Å; L118-Y145 HydrophobicContact CG-CE2 4.23Å; L118-Y145 WeakPolarHBondContact O-CA 3.37Å; L118-Y145 VanDerWaalsContact O-CD2 3.28Å; L118-Y145 WeakPolarHBondContact O-CD2 3.49Å; L118-Y146 PolarHBondContact O-N 3.21Å
119	V	98.6	Very high	94.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.2	-178.3	175.5	0	0	0	0	110.5	I86 I87 M88 F89 V117 Y146 L148 P159	I86-V119 HydrophobicContact CG2-CB 4.3Å; I86-V119 HydrophobicContact CG2-CG2 3.73Å; I87-V119 PolarHBondContact O-N 2.91Å; M88-V119 WeakPolarHBondContact CA-O 3.33Å; M88-V119 HydrophobicContact CE-CG1 4.17Å; M88-V119 HydrophobicContact CG-CB 4.46Å; M88-V119 HydrophobicContact CG-CG1 4.35Å; F89-V119 VanDerWaalsContact CD1-O 3.26Å; F89-V119 WeakPolarHBondContact CD1-O 3.36Å; F89-V119 PolarHBondContact N-O 3.31Å; V117-V119 HydrophobicContact CG1-CG2 3.91Å; V119-Y146 WeakPolarHBondContact CA-O 3.14Å; V119-L148 HydrophobicContact CG1-CB 3.58Å; V119-L148 HydrophobicContact CG1-CD1 4.02Å; V119-L148 HydrophobicContact CG1-CD2 4.42Å; V119-L148 HydrophobicContact CG1-CG 4.22Å; V119-P159 HydrophobicContact CG2-CB 4.31Å; V119-P159 HydrophobicContact CG2-CG 3.78Å
120	G	98.3	Very high	94.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	97.7	167.2	0	0	0	0	0	109.6	F89 Y146 L148	F89-G120 VanDerWaalsContact CZ-CA 3.45Å; G120-Y146 PolarHBondContact N-O 3.03Å; G120-L148 PolarHBondContact O-N 3.32Å
121	N	98	Very high	94.3	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	165.6	-178.6	-170.4	29.8	0	0	0	112	V20 M88 F89 V91 L148 A150	V20-N121 PolarHBondContact O-ND2 3.26Å; M88-N121 HydrophobicContact CG-CB 3.92Å; M88-N121 HydrophobicContact SD-CB 3.87Å; F89-N121 PolarHBondContact O-N 3.36Å; V91-N121 WeakPolarHBondContact CG2-O 3.28Å; V91-N121 PolarHBondContact N-O 3.24Å; N121-L148 CarbonylContact C-O 3.59Å; N121-L148 VanDerWaalsContact C-O 3.31Å; N121-L148 WeakPolarHBondContact CA-O 3.42Å; N121-L148 WeakPolarHBondContact OD1-CD2 3.33Å; N121-L148 PolarHBondContact OD1-O 3.2Å; N121-A150 PolarHBondContact OD1-N 3.37Å; N121-A150 VanDerWaalsContact OD1-N 3.13Å
122	K	95.8	Very high	94.2	Very high	57 Å²	57	51.4 Å²	51.4	25%	0.248	26%	0.255	C	S	.	.			trans	68.5	33.4	176.7	-46.6	-167.9	-164.6	164.8	0	114.2	G19 D90 V91 D124 V125 L148	G19-K122 WeakPolarHBondContact O-CE 3.32Å; G19-K122 PolarHBondContact O-NZ 3.22Å; D90-K122 WeakPolarHBondContact OD1-CD 3.14Å; D90-K122 WeakPolarHBondContact OD2-CD 3.39Å; D90-K122 VanDerWaalsContact OD2-CE 3.25Å; D90-K122 WeakPolarHBondContact OD2-CE 3.25Å; D90-K122 IonicContact OD2-NZ 2.66Å; D90-K122 PolarHBondContact OD2-NZ 3.33Å; V91-K122 WeakPolarHBondContact CG2-O 3.47Å; K122-D124 WeakPolarHBondContact CA-OD1 3.36Å; K122-D124 PolarHBondContact O-N 3.13Å; K122-V125 HydrophobicContact CB-CG1 4.09Å; K122-V125 WeakPolarHBondContact O-CG1 3.36Å; K122-V125 WeakPolarHBondContact O-CG2 3.41Å; K122-V125 PolarHBondContact O-N 3.45Å; K122-L148 PolarHBondContact N-O 2.98Å
123	V	95.5	Very high	94.5	Very high	8 Å²	8	50 Å²	50	5%	0.048	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.4	176.3	-60.2	0	0	0	0	114.2	V91 V125 D147 L148 Y154 I187	V91-V123 HydrophobicContact CG1-CG1 3.97Å; V91-V123 HydrophobicContact CG2-CG1 4.1Å; V123-V125 PolarHBondContact O-N 3.3Å; V123-D147 HydrophobicContact CG1-CB 3.81Å; V123-L148 WeakPolarHBondContact CG2-O 3.28Å; V123-L148 PolarHBondContact N-O 2.86Å; V123-Y154 HydrophobicContact CG2-CD1 3.64Å; V123-Y154 HydrophobicContact CG2-CE1 4.1Å; V123-I187 HydrophobicContact CG2-CD1 3.62Å
124	D	92	Very high	94.4	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.214	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.8	169.8	60.9	-74.3	0	0	0	113.9	K122 S149 R151 I187	K122-D124 WeakPolarHBondContact CA-OD1 3.36Å; K122-D124 PolarHBondContact O-N 3.13Å; D124-S149 VanDerWaalsContact CG-OG 3.3Å; D124-S149 WeakPolarHBondContact OD1-CB 3.31Å; D124-S149 PolarHBondContact OD1-OG 3.12Å; D124-R151 WeakPolarHBondContact OD2-CD 3.46Å; D124-R151 IonicContact OD2-NH1 3.85Å; D124-I187 HydrophobicContact CB-CD1 4.33Å; D124-I187 HydrophobicContact CB-CG1 4.38Å
125	V	91	Very high	94.3	Very high	39 Å²	39	46.1 Å²	46.1	24%	0.236	21%	0.212	C	C	.	.			trans	-75.7	137.4	177.3	-59.8	0	0	0	0	111.4	V91 K122 V123	V91-V125 HydrophobicContact CG2-CG2 4.09Å; K122-V125 HydrophobicContact CB-CG1 4.09Å; K122-V125 WeakPolarHBondContact O-CG1 3.36Å; K122-V125 WeakPolarHBondContact O-CG2 3.41Å; K122-V125 PolarHBondContact O-N 3.45Å; V123-V125 PolarHBondContact O-N 3.3Å
126	K	86.6	Confident	94.1	Very high	199 Å²	199	46.3 Å²	46.3	87%	0.865	21%	0.21	S	C	*	.	S	Bend	trans	-69.8	-37	177.1	-66.6	-172.6	176.9	-174.1	0	112.6	R128	K126-R128 VanDerWaalsContact C-N 3.32Å; K126-R128 PolarHBondContact O-N 3.17Å; K126-R128 VanDerWaalsContact O-N 3.14Å
127	D	89.7	Confident	94	Very high	103 Å²	103	46.8 Å²	46.8	55%	0.551	21%	0.212	S	C	*	.	S	Bend	trans	-88.6	67.8	-179.1	-171.3	35.1	0	0	0	111.3	Q129	D127-Q129 PolarHBondContact O-N 2.69Å; D127-Q129 PolarHBondContact OD1-NE2 2.92Å; D127-Q129 PolarHBondContact OD2-NE2 2.8Å
128	R	94.2	Very high	93.7	Very high	49 Å²	49	48 Å²	48	19%	0.185	22%	0.218	C	C	.	.			trans	-70.8	110.2	174.9	-178.3	173.1	-174.6	150.1	4.1	109.9	V91 K126 V130 D147 A195	V91-R128 HydrophobicContact CB-CG 4.1Å; V91-R128 HydrophobicContact CG2-CG 4.12Å; K126-R128 VanDerWaalsContact C-N 3.32Å; K126-R128 PolarHBondContact O-N 3.17Å; K126-R128 VanDerWaalsContact O-N 3.14Å; R128-V130 WeakPolarHBondContact CG-O 3.39Å; R128-V130 PolarHBondContact NE-O 2.8Å; R128-D147 IonicContact CZ-OD1 3.81Å; R128-D147 IonicContact CZ-OD2 3.47Å; R128-D147 IonicContact NH1-OD1 3.42Å; R128-D147 IonicContact NH1-OD2 3.59Å; R128-D147 PolarHBondContact NH1-OD2 3.33Å; R128-D147 IonicContact NH2-OD1 2.69Å; R128-D147 PolarHBondContact NH2-OD1 3.05Å; R128-D147 IonicContact NH2-OD2 3.75Å; R128-D147 PolarHBondContact NH2-OD2 3.37Å; R128-D147 VanDerWaalsContact NH2-OD2 3.17Å; R128-A195 VanDerWaalsContact NH1-CB 3.31Å
129	Q	96	Very high	93.4	Very high	52 Å²	52	51.1 Å²	51.1	24%	0.243	23%	0.229	C	C	.	.			trans	-90	-25	-177.3	-69.1	-67.4	-18.6	0	0	113.8	V91 S92 R94 D127	V91-Q129 PolarHBondContact O-N 2.95Å; S92-Q129 WeakPolarHBondContact O-CG 3.33Å; R94-Q129 HydrophobicContact CG-CB 3.91Å; R94-Q129 PolarHBondContact NE-O 3.4Å; R94-Q129 VanDerWaalsContact NE-O 3.1Å; D127-Q129 PolarHBondContact O-N 2.69Å; D127-Q129 PolarHBondContact OD1-NE2 2.92Å; D127-Q129 PolarHBondContact OD2-NE2 2.8Å
130	V	95.7	Very high	93	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	24%	0.24	C	C	.	.	S	Bend	trans	-104.2	100	174.7	-174.8	0	0	0	0	108.4	F89 V91 R94 Y97 R128 I135	F89-V130 HydrophobicContact CE2-CB 4.31Å; F89-V130 HydrophobicContact CE2-CG1 4Å; V91-V130 PolarHBondContact O-N 2.86Å; R94-V130 HydrophobicContact CG-CG2 4.27Å; Y97-V130 HydrophobicContact CD1-CG1 4.03Å; Y97-V130 HydrophobicContact CD2-CG1 4.43Å; Y97-V130 HydrophobicContact CG-CG1 3.92Å; R128-V130 WeakPolarHBondContact CG-O 3.39Å; R128-V130 PolarHBondContact NE-O 2.8Å; V130-I135 HydrophobicContact CG1-CD1 4.08Å; V130-I135 HydrophobicContact CG1-CG1 3.7Å
131	K	92.4	Very high	92.8	Very high	129 Å²	129	58.2 Å²	58.2	56%	0.561	26%	0.258	S	S	*	.			trans	-72.9	149.4	-178.1	-61.3	-173.1	176.7	-172.4	0	110.7	R133 Q134	K131-R133 PolarHBondContact O-N 2.85Å; K131-R133 VanDerWaalsContact O-N 3.1Å; K131-Q134 HydrophobicContact CB-CG 4.35Å; K131-Q134 WeakPolarHBondContact O-CB 3.25Å; K131-Q134 PolarHBondContact O-N 2.84Å
132	S	90.3	Very high	92.5	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.007	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-52.1	-39.2	-179	-60.6	0	0	0	0	112.6	Q134 I135 A195	S132-Q134 PolarHBondContact O-N 3.05Å; S132-I135 WeakPolarHBondContact O-CB 3.37Å; S132-I135 PolarHBondContact O-N 2.77Å; S132-I135 VanDerWaalsContact O-N 3.1Å; S132-A195 PolarHBondContact OG-O 3.44Å
133	R	88.7	Confident	92.5	Very high	146 Å²	146	63.2 Å²	63.2	55%	0.551	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-62	-26.1	177.7	-61.6	-176.4	179	-174.7	-2.2	114.7	K131 I135 Q136 A202	K131-R133 PolarHBondContact O-N 2.85Å; K131-R133 VanDerWaalsContact O-N 3.1Å; R133-I135 VanDerWaalsContact C-N 3.3Å; R133-Q136 PolarHBondContact O-NE2 2.98Å; R133-A202 HydrophobicContact CG-CB 4.37Å
134	Q	90.7	Very high	92.6	Very high	96 Å²	96	65.8 Å²	65.8	45%	0.449	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-81.3	-12.8	179.4	-61.9	175	-50.9	0	0	112.3	Y97 K131 S132 Q136	Y97-Q134 WeakPolarHBondContact CE1-O 3.12Å; Y97-Q134 PolarHBondContact OH-O 2.88Å; Y97-Q134 VanDerWaalsContact OH-O 3.13Å; K131-Q134 HydrophobicContact CB-CG 4.35Å; K131-Q134 WeakPolarHBondContact O-CB 3.25Å; K131-Q134 PolarHBondContact O-N 2.84Å; S132-Q134 PolarHBondContact O-N 3.05Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.48Å
135	I	93.9	Very high	92.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	29%	0.29	C	S	.	.			trans	-88.4	70.6	-171.4	-54.6	164.5	0	0	0	109.5	F89 Y97 L118 V130 S132 R133 H138 Y145	F89-I135 HydrophobicContact CZ-CD1 4.05Å; F89-I135 HydrophobicContact CZ-CG1 4.27Å; F89-I135 HydrophobicContact CZ-CG2 4.3Å; Y97-I135 HydrophobicContact CE2-CB 4.43Å; Y97-I135 HydrophobicContact CE2-CG1 4.43Å; Y97-I135 HydrophobicContact CE2-CG2 3.96Å; Y97-I135 VanDerWaalsContact OH-CA 3.29Å; Y97-I135 WeakPolarHBondContact OH-CA 3.4Å; L118-I135 HydrophobicContact CD2-CG2 4.22Å; V130-I135 HydrophobicContact CG1-CD1 4.08Å; V130-I135 HydrophobicContact CG1-CG1 3.7Å; S132-I135 WeakPolarHBondContact O-CB 3.37Å; S132-I135 PolarHBondContact O-N 2.77Å; S132-I135 VanDerWaalsContact O-N 3.1Å; R133-I135 VanDerWaalsContact C-N 3.3Å; I135-H138 PolarHBondContact O-CE1 3.33Å; I135-H138 PolarHBondContact O-ND1 3.07Å; I135-Y145 HydrophobicContact CD1-CE1 4.27Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.26Å; I135-Y145 HydrophobicContact CG2-CD1 4.39Å; I135-Y145 HydrophobicContact CG2-CD2 3.94Å; I135-Y145 HydrophobicContact CG2-CE1 4.16Å; I135-Y145 HydrophobicContact CG2-CE2 3.67Å; I135-Y145 HydrophobicContact CG2-CG 4.29Å
136	Q	93.4	Very high	93.2	Very high	39 Å²	39	64.4 Å²	64.4	18%	0.182	29%	0.287	C	S	.	.			trans	-99.9	-13.8	-176.6	-59.6	-63	-28.2	0	0	114	Y97 R133 Q134 H138 R139 K140	Y97-Q136 PolarHBondContact OH-N 3.33Å; R133-Q136 PolarHBondContact O-NE2 2.98Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.48Å; Q136-H138 VanDerWaalsContact C-N 3.27Å; Q136-H138 PolarHBondContact O-N 3.27Å; Q136-R139 PolarHBondContact O-N 2.78Å; Q136-K140 PolarHBondContact O-N 3.38Å
137	F	95.4	Very high	93.7	Very high	20 Å²	20	55.3 Å²	55.3	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-39	-172.4	-174.5	-97.5	0	0	0	113.1	Y97 V100 P101 Y104 R139 K140 R141 L143	Y97-F137 HydrophobicContact CE2-CB 4.44Å; Y97-F137 PolarHBondContact OH-N 3.05Å; Y97-F137 VanDerWaalsContact OH-N 3.13Å; V100-F137 HydrophobicContact CG1-CD1 3.47Å; V100-F137 VanDerWaalsContact CG1-CD1 3.47Å; V100-F137 HydrophobicContact CG1-CE1 3.75Å; V100-F137 HydrophobicContact CG1-CG 4.06Å; P101-F137 HydrophobicContact CB-CD2 4.41Å; P101-F137 HydrophobicContact CB-CE2 3.72Å; P101-F137 HydrophobicContact CB-CZ 4.2Å; P101-F137 HydrophobicContact CG-CD2 3.83Å; P101-F137 HydrophobicContact CG-CE2 3.65Å; P101-F137 HydrophobicContact CG-CZ 4.37Å; Y104-F137 HydrophobicContact CD1-CE1 4.35Å; Y104-F137 AromaticContact CD1-CZ 3.8Å; Y104-F137 HydrophobicContact CD1-CZ 3.8Å; Y104-F137 HydrophobicContact CD2-CE1 4.12Å; Y104-F137 HydrophobicContact CD2-CZ 4.39Å; Y104-F137 AromaticContact CG-CE1 3.8Å; Y104-F137 HydrophobicContact CG-CE1 3.8Å; Y104-F137 AromaticContact CG-CZ 3.67Å; Y104-F137 HydrophobicContact CG-CZ 3.67Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 3.02Å; F137-K140 PolarHBondContact O-N 3.17Å; F137-R141 HydrophobicContact CD1-CG 4.45Å; F137-R141 HydrophobicContact CE1-CB 4.42Å; F137-R141 HydrophobicContact CE1-CG 3.87Å; F137-R141 HydrophobicContact CE2-CG 4.03Å; F137-R141 HydrophobicContact CZ-CG 3.64Å; F137-R141 PolarHBondContact O-N 3.21Å; F137-L143 HydrophobicContact CD1-CD1 4.35Å; F137-L143 HydrophobicContact CE1-CD1 4.17Å
138	H	93.8	Very high	94	Very high	25 Å²	25	50.4 Å²	50.4	12%	0.116	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-35.1	179	71.7	-84.1	0	0	0	112.5	L118 I135 Q136 N142 L143	L118-H138 HydrophobicContact CB-CB 4.38Å; L118-H138 HydrophobicContact CD2-CB 3.96Å; I135-H138 PolarHBondContact O-CE1 3.33Å; I135-H138 PolarHBondContact O-ND1 3.07Å; Q136-H138 VanDerWaalsContact C-N 3.27Å; Q136-H138 PolarHBondContact O-N 3.27Å; H138-N142 CarbonylContact O-C 3.31Å; H138-N142 WeakPolarHBondContact O-CA 3.48Å; H138-N142 PolarHBondContact O-N 3.43Å; H138-L143 HydrophobicContact CB-CB 4.01Å; H138-L143 PolarHBondContact O-N 3.14Å
139	R	91.9	Very high	94	Very high	65 Å²	65	48.1 Å²	48.1	25%	0.245	21%	0.212	C	C	.	.	H	α-helix	trans	-71	-43	178.2	-54.1	175	67.9	-162.6	3.3	111.1	Q136 F137 R141 N142 A202 A203 V205 I207	Q136-R139 PolarHBondContact O-N 2.78Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 3.02Å; R139-R141 PolarHBondContact O-N 2.81Å; R139-N142 PolarHBondContact O-N 3.33Å; R139-A202 PolarHBondContact NH1-O 3.39Å; R139-A203 PolarHBondContact NH2-O 3.42Å; R139-V205 VanDerWaalsContact CZ-O 3.27Å; R139-V205 PolarHBondContact NH1-O 2.96Å; R139-V205 PolarHBondContact NH2-O 3.11Å; R139-I207 HydrophobicContact CB-CD1 3.5Å; R139-I207 HydrophobicContact CB-CG1 4.4Å
140	K	90.6	Very high	93.8	Very high	51 Å²	51	45.8 Å²	45.8	22%	0.222	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-29.2	177.6	-62.2	-177.3	-177.4	-177.7	0	112.9	Q136 F137 I207 D211	Q136-K140 PolarHBondContact O-N 3.38Å; F137-K140 PolarHBondContact O-N 3.17Å; K140-I207 HydrophobicContact CG-CG2 4.33Å; K140-D211 WeakPolarHBondContact CD-O 3.45Å; K140-D211 WeakPolarHBondContact CE-O 3.45Å; K140-D211 PolarHBondContact NZ-O 2.59Å; K140-D211 IonicContact NZ-OD1 2.79Å; K140-D211 PolarHBondContact NZ-OD1 3.45Å; K140-D211 IonicContact NZ-OD2 3.92Å
141	R	93.6	Very high	93.6	Very high	98 Å²	98	50 Å²	50	37%	0.37	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	10.5	-177.2	-58	-57.7	-179.7	-162.6	-5.6	114.4	Y104 F137 R139 L143	Y104-R141 HydrophobicContact CD1-CG 4.29Å; Y104-R141 HydrophobicContact CE1-CB 4.38Å; Y104-R141 HydrophobicContact CE1-CG 3.87Å; Y104-R141 HydrophobicContact CE2-CB 3.96Å; Y104-R141 HydrophobicContact CE2-CG 4.26Å; F137-R141 HydrophobicContact CD1-CG 4.45Å; F137-R141 HydrophobicContact CE1-CB 4.42Å; F137-R141 HydrophobicContact CE1-CG 3.87Å; F137-R141 HydrophobicContact CE2-CG 4.03Å; F137-R141 HydrophobicContact CZ-CG 3.64Å; F137-R141 PolarHBondContact O-N 3.21Å; R139-R141 PolarHBondContact O-N 2.81Å; R141-L143 VanDerWaalsContact C-N 3.29Å; R141-L143 HydrophobicContact CB-CD1 4.32Å; R141-L143 HydrophobicContact CB-CD2 4.42Å; R141-L143 HydrophobicContact CB-CG 3.97Å; R141-L143 PolarHBondContact O-N 3.06Å
142	N	91.7	Very high	93.5	Very high	149 Å²	149	44.3 Å²	44.3	80%	0.797	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	43	-178.2	-167.2	30.3	0	0	0	114	H138 R139	H138-N142 CarbonylContact O-C 3.31Å; H138-N142 WeakPolarHBondContact O-CA 3.48Å; H138-N142 PolarHBondContact O-N 3.43Å; R139-N142 PolarHBondContact O-N 3.33Å
143	L	96.4	Very high	93.5	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.094	20%	0.202	C	C	.	.			trans	-94.7	149	175.6	-50.5	-175.9	0	0	0	110.4	Y104 M116 F137 H138 R141	Y104-L143 HydrophobicContact CD2-CD1 4Å; Y104-L143 HydrophobicContact CE2-CD1 4.22Å; Y104-L143 HydrophobicContact CE2-CD2 4.06Å; M116-L143 HydrophobicContact CB-CD2 3.9Å; M116-L143 HydrophobicContact CG-CD2 4.28Å; M116-L143 HydrophobicContact SD-CD2 4.48Å; F137-L143 HydrophobicContact CD1-CD1 4.35Å; F137-L143 HydrophobicContact CE1-CD1 4.17Å; H138-L143 HydrophobicContact CB-CB 4.01Å; H138-L143 PolarHBondContact O-N 3.14Å; R141-L143 VanDerWaalsContact C-N 3.29Å; R141-L143 HydrophobicContact CB-CD1 4.32Å; R141-L143 HydrophobicContact CB-CD2 4.42Å; R141-L143 HydrophobicContact CB-CG 3.97Å; R141-L143 PolarHBondContact O-N 3.06Å
144	Q	96.8	Very high	93.7	Very high	62 Å²	62	40.2 Å²	40.2	29%	0.29	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138	166.4	-177.7	62.4	48.5	0	0	109.7	M116 V117 L118 Y146 W162	M116-Q144 PolarHBondContact O-N 3.37Å; V117-Q144 CarbonylContact C-O 3.57Å; V117-Q144 WeakPolarHBondContact CA-O 3.26Å; V117-Q144 HydrophobicContact CG1-CB 4.47Å; V117-Q144 HydrophobicContact CG2-CB 4.35Å; L118-Q144 PolarHBondContact N-O 2.93Å; Q144-Y146 HydrophobicContact CG-CD2 4.1Å; Q144-Y146 HydrophobicContact CG-CE1 4.47Å; Q144-Y146 HydrophobicContact CG-CE2 3.43Å; Q144-Y146 VanDerWaalsContact CG-CE2 3.43Å; Q144-W162 HydrophobicContact CB-CD2 3.75Å; Q144-W162 VanDerWaalsContact CB-CE2 3.46Å; Q144-W162 HydrophobicContact CB-CE3 4.17Å; Q144-W162 HydrophobicContact CB-CG 4.2Å; Q144-W162 HydrophobicContact CB-CH2 4.11Å; Q144-W162 HydrophobicContact CB-CZ2 3.68Å; Q144-W162 HydrophobicContact CB-CZ3 4.33Å; Q144-W162 HydrophobicContact CG-CD2 3.98Å; Q144-W162 HydrophobicContact CG-CG 3.86Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.08Å
145	Y	97.8	Very high	93.9	Very high	8 Å²	8	36.8 Å²	36.8	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.7	173.5	179	-109.3	0	0	0	112	F89 L118 I135 D147 L199	F89-Y145 AromaticContact CE1-CE2 3.76Å; F89-Y145 HydrophobicContact CE1-CE2 3.76Å; F89-Y145 AromaticContact CZ-CE2 3.87Å; F89-Y145 HydrophobicContact CZ-CE2 3.87Å; L118-Y145 HydrophobicContact CB-CD2 4.02Å; L118-Y145 HydrophobicContact CD2-CD2 3.84Å; L118-Y145 HydrophobicContact CD2-CE2 4.33Å; L118-Y145 HydrophobicContact CG-CD2 3.79Å; L118-Y145 HydrophobicContact CG-CE2 4.23Å; L118-Y145 WeakPolarHBondContact O-CA 3.37Å; L118-Y145 VanDerWaalsContact O-CD2 3.28Å; L118-Y145 WeakPolarHBondContact O-CD2 3.49Å; I135-Y145 HydrophobicContact CD1-CE1 4.27Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.26Å; I135-Y145 HydrophobicContact CG2-CD1 4.39Å; I135-Y145 HydrophobicContact CG2-CD2 3.94Å; I135-Y145 HydrophobicContact CG2-CE1 4.16Å; I135-Y145 HydrophobicContact CG2-CE2 3.67Å; I135-Y145 HydrophobicContact CG2-CG 4.29Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.42Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.28Å; Y145-D147 PolarHBondContact OH-OD1 3.04Å; Y145-L199 HydrophobicContact CD1-CD1 3.82Å; Y145-L199 HydrophobicContact CD1-CD2 3.66Å; Y145-L199 HydrophobicContact CD1-CG 4.41Å; Y145-L199 HydrophobicContact CE1-CD1 3.97Å; Y145-L199 HydrophobicContact CE1-CD2 3.94Å
146	Y	97.3	Very high	93.7	Very high	42 Å²	42	37.1 Å²	37.1	17%	0.165	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.6	166.4	-65.7	-63	0	0	0	111.6	V117 L118 V119 G120 Q144 K158 P159 W162	V117-Y146 HydrophobicContact CG1-CD2 3.74Å; V117-Y146 HydrophobicContact CG1-CE2 4.24Å; L118-Y146 PolarHBondContact O-N 3.21Å; V119-Y146 WeakPolarHBondContact CA-O 3.14Å; G120-Y146 PolarHBondContact N-O 3.03Å; Q144-Y146 HydrophobicContact CG-CD2 4.1Å; Q144-Y146 HydrophobicContact CG-CE1 4.47Å; Q144-Y146 HydrophobicContact CG-CE2 3.43Å; Q144-Y146 VanDerWaalsContact CG-CE2 3.43Å; Y146-K158 HydrophobicContact CD1-CB 4Å; Y146-K158 HydrophobicContact CD1-CD 3.74Å; Y146-K158 HydrophobicContact CD2-CB 3.93Å; Y146-K158 HydrophobicContact CE1-CB 3.97Å; Y146-K158 HydrophobicContact CE1-CD 3.72Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.87Å; Y146-K158 HydrophobicContact CG-CB 4Å; Y146-K158 HydrophobicContact CG-CD 4.48Å; Y146-P159 HydrophobicContact CD2-CG 4.17Å; Y146-W162 HydrophobicContact CE2-CB 4.1Å
147	D	96.8	Very high	93.8	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.2	155.7	-91.9	3.8	0	0	0	108.9	V123 R128 Y145 Y154 N155	V123-D147 HydrophobicContact CG1-CB 3.81Å; R128-D147 IonicContact CZ-OD1 3.81Å; R128-D147 IonicContact CZ-OD2 3.47Å; R128-D147 IonicContact NH1-OD1 3.42Å; R128-D147 IonicContact NH1-OD2 3.59Å; R128-D147 PolarHBondContact NH1-OD2 3.33Å; R128-D147 IonicContact NH2-OD1 2.69Å; R128-D147 PolarHBondContact NH2-OD1 3.05Å; R128-D147 IonicContact NH2-OD2 3.75Å; R128-D147 PolarHBondContact NH2-OD2 3.37Å; R128-D147 VanDerWaalsContact NH2-OD2 3.17Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.42Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.28Å; Y145-D147 PolarHBondContact OH-OD1 3.04Å; D147-Y154 HydrophobicContact CB-CE1 4.19Å; D147-N155 WeakPolarHBondContact O-CB 3.48Å; D147-N155 PolarHBondContact O-ND2 3.03Å
148	L	95.8	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147	-174.5	-170.4	142.8	0	0	0	111.7	F25 V119 G120 N121 K122 V123 A150 Y154 P159	F25-L148 HydrophobicContact CD2-CD1 4.2Å; F25-L148 HydrophobicContact CD2-CD2 3.89Å; F25-L148 HydrophobicContact CE2-CD1 3.58Å; F25-L148 HydrophobicContact CE2-CD2 4.13Å; F25-L148 HydrophobicContact CZ-CD1 4.28Å; V119-L148 HydrophobicContact CG1-CB 3.58Å; V119-L148 HydrophobicContact CG1-CD1 4.02Å; V119-L148 HydrophobicContact CG1-CD2 4.42Å; V119-L148 HydrophobicContact CG1-CG 4.22Å; G120-L148 PolarHBondContact O-N 3.32Å; N121-L148 CarbonylContact C-O 3.59Å; N121-L148 VanDerWaalsContact C-O 3.31Å; N121-L148 WeakPolarHBondContact CA-O 3.42Å; N121-L148 WeakPolarHBondContact OD1-CD2 3.33Å; N121-L148 PolarHBondContact OD1-O 3.2Å; K122-L148 PolarHBondContact N-O 2.98Å; V123-L148 WeakPolarHBondContact CG2-O 3.28Å; V123-L148 PolarHBondContact N-O 2.86Å; L148-A150 HydrophobicContact CD2-CB 4.33Å; L148-Y154 WeakPolarHBondContact CA-O 3.36Å; L148-P159 HydrophobicContact CD1-CG 3.89Å
149	S	95.1	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-129	112.5	163.4	174.2	0	0	0	0	110.2	D124 R151 S152 N153 Y154	D124-S149 VanDerWaalsContact CG-OG 3.3Å; D124-S149 WeakPolarHBondContact OD1-CB 3.31Å; D124-S149 PolarHBondContact OD1-OG 3.12Å; S149-R151 PolarHBondContact O-N 3.03Å; S149-R151 PolarHBondContact OG-N 2.96Å; S149-S152 WeakPolarHBondContact CB-OG 3.44Å; S149-S152 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact OG-N 2.9Å; S149-S152 VanDerWaalsContact OG-N 3.14Å; S149-S152 PolarHBondContact OG-OG 3.01Å; S149-N153 WeakPolarHBondContact O-CA 3.43Å; S149-N153 PolarHBondContact O-N 2.98Å; S149-Y154 PolarHBondContact N-O 3.15Å; S149-Y154 PolarHBondContact O-N 2.74Å
150	A	92.6	Very high	94.3	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.4	171.4	0	0	0	0	0	112.3	T24 F25 N121 L148 F156	T24-A150 HydrophobicContact CG2-CB 4.25Å; F25-A150 HydrophobicContact CB-CB 4.4Å; N121-A150 PolarHBondContact OD1-N 3.37Å; N121-A150 VanDerWaalsContact OD1-N 3.13Å; L148-A150 HydrophobicContact CD2-CB 4.33Å; A150-F156 HydrophobicContact CB-CE2 4.43Å
151	R	91	Very high	94.6	Very high	90 Å²	90	35.9 Å²	35.9	34%	0.34	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-42.3	179	-171.2	-171.3	-176.5	171.4	-1.2	112.3	F34 D124 S149 F185	F34-R151 HydrophobicContact CD1-CG 4.46Å; F34-R151 HydrophobicContact CD2-CB 4.29Å; F34-R151 HydrophobicContact CD2-CG 4.43Å; F34-R151 HydrophobicContact CE1-CG 4Å; F34-R151 VanDerWaalsContact CE2-CA 3.5Å; F34-R151 HydrophobicContact CE2-CB 3.66Å; F34-R151 HydrophobicContact CE2-CG 3.95Å; F34-R151 HydrophobicContact CZ-CB 3.84Å; F34-R151 HydrophobicContact CZ-CG 3.73Å; D124-R151 WeakPolarHBondContact OD2-CD 3.46Å; D124-R151 IonicContact OD2-NH1 3.85Å; S149-R151 PolarHBondContact O-N 3.03Å; S149-R151 PolarHBondContact OG-N 2.96Å; R151-F185 HydrophobicContact CG-CB 4.05Å; R151-F185 HydrophobicContact CG-CD2 3.67Å; R151-F185 HydrophobicContact CG-CE2 4.45Å; R151-F185 HydrophobicContact CG-CG 4.02Å; R151-F185 VanDerWaalsContact NE-CD2 3.29Å; R151-F185 VanDerWaalsContact NH2-CD1 3.31Å
152	S	90.1	Very high	94.8	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	5.5	-176.2	77.4	0	0	0	0	114.1	S149 Y154 P183 F185	S149-S152 WeakPolarHBondContact CB-OG 3.44Å; S149-S152 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact OG-N 2.9Å; S149-S152 VanDerWaalsContact OG-N 3.14Å; S149-S152 PolarHBondContact OG-OG 3.01Å; S152-Y154 PolarHBondContact O-N 3.18Å; S152-Y154 VanDerWaalsContact O-N 3.11Å; S152-Y154 VanDerWaalsContact OG-CB 3.32Å; S152-Y154 WeakPolarHBondContact OG-CB 3.35Å; S152-Y154 PolarHBondContact OG-N 3.19Å; S152-P183 WeakPolarHBondContact O-CG 3.45Å; S152-F185 VanDerWaalsContact CA-O 3.3Å; S152-F185 WeakPolarHBondContact CA-O 3.34Å; S152-F185 VanDerWaalsContact CB-O 3.27Å; S152-F185 WeakPolarHBondContact CB-O 3.38Å
153	N	90.5	Very high	95.1	Very high	30 Å²	30	25.8 Å²	25.8	16%	0.16	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	19.2	-168.7	-61.5	-12.7	0	0	0	114.3	R28 S149 N155 F156 K181 P183	R28-N153 PolarHBondContact NE-OD1 3.18Å; S149-N153 WeakPolarHBondContact O-CA 3.43Å; S149-N153 PolarHBondContact O-N 2.98Å; N153-N155 PolarHBondContact O-N 2.49Å; N153-F156 HydrophobicContact CB-CB 4.2Å; N153-F156 WeakPolarHBondContact O-CB 3.27Å; N153-F156 PolarHBondContact O-N 2.74Å; N153-K181 PolarHBondContact ND2-O 2.93Å; N153-P183 HydrophobicContact CB-CB 4.38Å; N153-P183 HydrophobicContact CB-CG 4.46Å
154	Y	92.9	Very high	95.2	Very high	30 Å²	30	25 Å²	25	12%	0.118	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-68.6	125.3	179.5	174.3	-103.6	0	0	0	110.3	V123 D147 L148 S149 S152 F156 I187 V192 E196	V123-Y154 HydrophobicContact CG2-CD1 3.64Å; V123-Y154 HydrophobicContact CG2-CE1 4.1Å; D147-Y154 HydrophobicContact CB-CE1 4.19Å; L148-Y154 WeakPolarHBondContact CA-O 3.36Å; S149-Y154 PolarHBondContact N-O 3.15Å; S149-Y154 PolarHBondContact O-N 2.74Å; S152-Y154 PolarHBondContact O-N 3.18Å; S152-Y154 VanDerWaalsContact O-N 3.11Å; S152-Y154 VanDerWaalsContact OG-CB 3.32Å; S152-Y154 WeakPolarHBondContact OG-CB 3.35Å; S152-Y154 PolarHBondContact OG-N 3.19Å; Y154-F156 PolarHBondContact O-N 3.04Å; Y154-F156 VanDerWaalsContact O-N 3.12Å; Y154-I187 HydrophobicContact CD1-CD1 4.2Å; Y154-I187 HydrophobicContact CD2-CG2 4.4Å; Y154-I187 HydrophobicContact CG-CD1 4.1Å; Y154-I187 HydrophobicContact CG-CG2 4.44Å; Y154-V192 HydrophobicContact CD1-CG2 4.48Å; Y154-V192 HydrophobicContact CD2-CG1 4.27Å; Y154-V192 HydrophobicContact CD2-CG2 4.42Å; Y154-V192 HydrophobicContact CE1-CG1 3.92Å; Y154-V192 HydrophobicContact CE1-CG2 4.31Å; Y154-V192 HydrophobicContact CE2-CB 4.46Å; Y154-V192 HydrophobicContact CE2-CG1 3.38Å; Y154-V192 HydrophobicContact CE2-CG2 4.3Å; Y154-V192 WeakPolarHBondContact OH-CG1 3.29Å; Y154-E196 PolarHBondContact OH-OE1 3.31Å
155	N	93.5	Very high	95.3	Very high	24 Å²	24	26 Å²	26	13%	0.128	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	20	-175.3	-69.9	-17.6	0	0	0	115.4	D147 N153 E157 K158 P159	D147-N155 WeakPolarHBondContact O-CB 3.48Å; D147-N155 PolarHBondContact O-ND2 3.03Å; N153-N155 PolarHBondContact O-N 2.49Å; N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.38Å; N155-K158 HydrophobicContact CB-CB 4.46Å; N155-K158 HydrophobicContact CB-CD 3.85Å; N155-K158 HydrophobicContact CB-CG 4.16Å; N155-K158 WeakPolarHBondContact O-CB 3.31Å; N155-K158 PolarHBondContact O-N 3.46Å; N155-K158 WeakPolarHBondContact OD1-CD 3.46Å; N155-K158 WeakPolarHBondContact OD1-CE 3.4Å; N155-K158 PolarHBondContact OD1-NZ 2.98Å; N155-P159 WeakPolarHBondContact O-CD 3.41Å
156	F	91.8	Very high	95.3	Very high	7 Å²	7	33 Å²	33	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.5	-166.6	-167.6	-120.4	0	0	0	114.4	F25 R28 H29 A150 N153 Y154 A180	F25-F156 AromaticContact CD2-CD2 3.76Å; F25-F156 HydrophobicContact CD2-CD2 3.76Å; F25-F156 AromaticContact CD2-CE2 3.45Å; F25-F156 HydrophobicContact CD2-CE2 3.45Å; F25-F156 VanDerWaalsContact CD2-CE2 3.45Å; F25-F156 HydrophobicContact CD2-CZ 4.34Å; F25-F156 AromaticContact CE2-CD2 3.8Å; F25-F156 HydrophobicContact CE2-CD2 3.8Å; F25-F156 AromaticContact CE2-CE2 3.86Å; F25-F156 HydrophobicContact CE2-CE2 3.86Å; F25-F156 WeakPolarHBondContact CE2-O 3.39Å; F25-F156 HydrophobicContact CG-CE2 4.4Å; F25-F156 WeakPolarHBondContact O-CZ 3.29Å; R28-F156 HydrophobicContact CB-CE1 4.39Å; R28-F156 HydrophobicContact CB-CE2 4.03Å; R28-F156 HydrophobicContact CB-CZ 3.47Å; R28-F156 VanDerWaalsContact CB-CZ 3.47Å; R28-F156 HydrophobicContact CG-CE1 4.02Å; R28-F156 HydrophobicContact CG-CE2 3.94Å; R28-F156 HydrophobicContact CG-CZ 3.42Å; R28-F156 VanDerWaalsContact CG-CZ 3.42Å; H29-F156 HydrophobicContact CB-CE1 4.31Å; H29-F156 HydrophobicContact CB-CZ 4.39Å; H29-F156 AromaticContact CD2-CD1 3.99Å; H29-F156 AromaticContact CD2-CE1 3.55Å; H29-F156 AromaticContact CE1-CD1 3.31Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.3Å; H29-F156 AromaticContact CE1-CD2 3.75Å; H29-F156 AromaticContact CE1-CE1 3.05Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.45Å; H29-F156 AromaticContact CE1-CE2 3.49Å; H29-F156 VanDerWaalsContact CE1-CE2 3.49Å; H29-F156 WeakPolarHBondContact CE1-CE2 3.33Å; H29-F156 AromaticContact CE1-CG 3.64Å; H29-F156 AromaticContact CE1-CZ 3.12Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.45Å; H29-F156 PolarHBondContact CE1-O 2.84Å; H29-F156 AromaticContact CG-CE1 3.45Å; H29-F156 VanDerWaalsContact CG-CE1 3.45Å; H29-F156 AromaticContact CG-CZ 3.64Å; H29-F156 AromaticContact ND1-CD1 3.94Å; H29-F156 AromaticContact ND1-CE1 3.18Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.11Å; H29-F156 AromaticContact ND1-CE2 3.63Å; H29-F156 AromaticContact ND1-CZ 2.96Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.32Å; H29-F156 AromaticContact NE2-CD1 3.37Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.42Å; H29-F156 AromaticContact NE2-CE1 3.33Å; H29-F156 VanDerWaalsContact NE2-CE1 3.33Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.36Å; H29-F156 AromaticContact NE2-CG 3.99Å; H29-F156 AromaticContact NE2-CZ 3.89Å; A150-F156 HydrophobicContact CB-CE2 4.43Å; N153-F156 HydrophobicContact CB-CB 4.2Å; N153-F156 WeakPolarHBondContact O-CB 3.27Å; N153-F156 PolarHBondContact O-N 2.74Å; Y154-F156 PolarHBondContact O-N 3.04Å; Y154-F156 VanDerWaalsContact O-N 3.12Å; F156-A180 HydrophobicContact CD1-CB 4.32Å; F156-A180 HydrophobicContact CE1-CB 4.29Å
157	E	93.4	Very high	95.3	Very high	62 Å²	62	33 Å²	33	29%	0.29	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.2	-178.4	-64.5	177.8	-179.1	0	0	114	N155 F160 L161 F175 H179	N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.38Å; E157-F160 PolarHBondContact O-N 2.97Å; E157-F160 VanDerWaalsContact O-N 3.14Å; E157-L161 PolarHBondContact O-N 3.2Å; E157-F175 HydrophobicContact CB-CD2 4.03Å; E157-F175 HydrophobicContact CB-CE2 4.11Å; E157-F175 HydrophobicContact CG-CD2 4.4Å; E157-H179 WeakPolarHBondContact OE1-CB 3.16Å; E157-H179 IonicContact OE1-CD2 2.81Å; E157-H179 PolarHBondContact OE1-CD2 2.89Å; E157-H179 IonicContact OE1-CG 3.08Å
158	K	96.1	Very high	95.2	Very high	79 Å²	79	34.4 Å²	34.4	34%	0.343	15%	0.153	S	C	.	.	H	α-helix	trans	-56.9	-42.3	-171.9	-70.5	-168.5	177.7	167.2	0	113.4	Y146 N155 F160 L161 W162	Y146-K158 HydrophobicContact CD1-CB 4Å; Y146-K158 HydrophobicContact CD1-CD 3.74Å; Y146-K158 HydrophobicContact CD2-CB 3.93Å; Y146-K158 HydrophobicContact CE1-CB 3.97Å; Y146-K158 HydrophobicContact CE1-CD 3.72Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.87Å; Y146-K158 HydrophobicContact CG-CB 4Å; Y146-K158 HydrophobicContact CG-CD 4.48Å; N155-K158 HydrophobicContact CB-CB 4.46Å; N155-K158 HydrophobicContact CB-CD 3.85Å; N155-K158 HydrophobicContact CB-CG 4.16Å; N155-K158 WeakPolarHBondContact O-CB 3.31Å; N155-K158 PolarHBondContact O-N 3.46Å; N155-K158 WeakPolarHBondContact OD1-CD 3.46Å; N155-K158 WeakPolarHBondContact OD1-CE 3.4Å; N155-K158 PolarHBondContact OD1-NZ 2.98Å; K158-F160 PolarHBondContact O-N 3.13Å; K158-L161 PolarHBondContact O-N 3.27Å; K158-W162 WeakPolarHBondContact O-CB 3.46Å; K158-W162 PolarHBondContact O-N 3.34Å
159	P	97.9	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176	-25.8	35.7	0	0	0	112.8	F25 I86 V117 V119 Y146 L148 N155 W162 L163	F25-P159 HydrophobicContact CZ-CG 4.39Å; I86-P159 HydrophobicContact CD1-CB 3.77Å; I86-P159 HydrophobicContact CG1-CB 4.45Å; V117-P159 HydrophobicContact CB-CB 4.44Å; V117-P159 HydrophobicContact CG1-CB 4.05Å; V117-P159 HydrophobicContact CG1-CG 4.41Å; V119-P159 HydrophobicContact CG2-CB 4.31Å; V119-P159 HydrophobicContact CG2-CG 3.78Å; Y146-P159 HydrophobicContact CD2-CG 4.17Å; L148-P159 HydrophobicContact CD1-CG 3.89Å; N155-P159 WeakPolarHBondContact O-CD 3.41Å; P159-W162 PolarHBondContact O-N 3.03Å; P159-L163 WeakPolarHBondContact O-CB 3.2Å; P159-L163 VanDerWaalsContact O-CG 3.28Å; P159-L163 WeakPolarHBondContact O-CG 3.18Å; P159-L163 PolarHBondContact O-N 2.96Å
160	F	97.7	Very high	95.3	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-40.7	179.7	-67.9	-74.9	0	0	0	112.1	L12 F25 H29 L49 F51 F60 V62 E157 K158 L163 A164 F175	L12-F160 HydrophobicContact CD1-CD1 4.07Å; L12-F160 HydrophobicContact CD1-CE1 3.78Å; F25-F160 HydrophobicContact CE1-CD2 4.45Å; F25-F160 AromaticContact CE1-CE2 3.42Å; F25-F160 HydrophobicContact CE1-CE2 3.42Å; F25-F160 VanDerWaalsContact CE1-CE2 3.42Å; F25-F160 AromaticContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE2-CE2 4.26Å; F25-F160 AromaticContact CZ-CD2 3.96Å; F25-F160 HydrophobicContact CZ-CD2 3.96Å; F25-F160 AromaticContact CZ-CE2 3.27Å; F25-F160 HydrophobicContact CZ-CE2 3.27Å; F25-F160 HydrophobicContact CZ-CZ 4.03Å; H29-F160 AromaticContact CD2-CE2 3.95Å; H29-F160 AromaticContact CE1-CD2 3.82Å; H29-F160 AromaticContact CE1-CE2 3.37Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.31Å; H29-F160 AromaticContact ND1-CE2 3.69Å; H29-F160 AromaticContact NE2-CD2 3.55Å; H29-F160 AromaticContact NE2-CE2 3.51Å; L49-F160 HydrophobicContact CD1-CE1 3.83Å; L49-F160 HydrophobicContact CD1-CE2 4.19Å; L49-F160 HydrophobicContact CD1-CZ 3.46Å; L49-F160 VanDerWaalsContact CD1-CZ 3.46Å; F51-F160 HydrophobicContact CE1-CB 4.21Å; F51-F160 HydrophobicContact CE1-CD2 4.42Å; F51-F160 HydrophobicContact CE1-CG 4.32Å; F51-F160 HydrophobicContact CE2-CB 4.15Å; F51-F160 AromaticContact CE2-CD1 3.82Å; F51-F160 HydrophobicContact CE2-CD1 3.82Å; F51-F160 HydrophobicContact CE2-CE1 4.32Å; F51-F160 AromaticContact CE2-CG 3.92Å; F51-F160 HydrophobicContact CE2-CG 3.92Å; F51-F160 HydrophobicContact CZ-CB 3.81Å; F51-F160 AromaticContact CZ-CD1 3.87Å; F51-F160 HydrophobicContact CZ-CD1 3.87Å; F51-F160 AromaticContact CZ-CD2 3.73Å; F51-F160 HydrophobicContact CZ-CD2 3.73Å; F51-F160 HydrophobicContact CZ-CE1 4.35Å; F51-F160 HydrophobicContact CZ-CE2 4.23Å; F51-F160 AromaticContact CZ-CG 3.53Å; F51-F160 HydrophobicContact CZ-CG 3.53Å; F60-F160 HydrophobicContact CB-CD1 4.41Å; F60-F160 HydrophobicContact CB-CE1 4.27Å; F60-F160 AromaticContact CD2-CD1 3.65Å; F60-F160 HydrophobicContact CD2-CD1 3.65Å; F60-F160 HydrophobicContact CD2-CE1 4.33Å; F60-F160 HydrophobicContact CE2-CB 4.24Å; F60-F160 AromaticContact CE2-CD1 3.98Å; F60-F160 HydrophobicContact CE2-CD1 3.98Å; F60-F160 AromaticContact CG-CD1 3.98Å; F60-F160 HydrophobicContact CG-CD1 3.98Å; F60-F160 HydrophobicContact CG-CE1 4.3Å; V62-F160 HydrophobicContact CG2-CE1 3.97Å; V62-F160 HydrophobicContact CG2-CZ 4.3Å; E157-F160 PolarHBondContact O-N 2.97Å; E157-F160 VanDerWaalsContact O-N 3.14Å; K158-F160 PolarHBondContact O-N 3.13Å; F160-L163 PolarHBondContact O-N 3.04Å; F160-A164 VanDerWaalsContact O-CB 3.27Å; F160-A164 WeakPolarHBondContact O-CB 3Å; F160-A164 PolarHBondContact O-N 3.13Å; F160-F175 HydrophobicContact CB-CE2 3.92Å; F160-F175 HydrophobicContact CB-CZ 3.82Å
161	L	97.5	Very high	95.5	Very high	32 Å²	32	48.8 Å²	48.8	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-45.1	178.6	-179.4	59.9	0	0	0	111.6	E157 K158 A164 R165 L173 F175	E157-L161 PolarHBondContact O-N 3.2Å; K158-L161 PolarHBondContact O-N 3.27Å; L161-A164 PolarHBondContact O-N 3.17Å; L161-R165 VanDerWaalsContact O-CG 3.3Å; L161-R165 WeakPolarHBondContact O-CG 2.99Å; L161-R165 PolarHBondContact O-N 3.33Å; L161-L173 HydrophobicContact CD1-CD2 3.66Å; L161-L173 WeakPolarHBondContact CD1-O 3.48Å; L161-F175 HydrophobicContact CB-CD2 4.31Å; L161-F175 HydrophobicContact CB-CE2 3.86Å; L161-F175 HydrophobicContact CB-CZ 4.06Å; L161-F175 HydrophobicContact CD1-CD1 4.07Å; L161-F175 HydrophobicContact CD1-CD2 4.47Å; L161-F175 HydrophobicContact CD1-CE1 4.14Å; L161-F175 HydrophobicContact CD1-CG 4.25Å; L161-F175 HydrophobicContact CD1-CZ 4.37Å
162	W	98.3	Very high	95.8	Very high	36 Å²	36	50.3 Å²	50.3	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177	-174.4	97.4	0	0	0	111.6	P115 V117 Q144 Y146 K158 P159 R165 R166	P115-W162 HydrophobicContact CB-CH2 4.28Å; P115-W162 HydrophobicContact CB-CZ3 3.81Å; V117-W162 HydrophobicContact CG2-CD2 4.29Å; V117-W162 HydrophobicContact CG2-CE3 3.52Å; V117-W162 HydrophobicContact CG2-CZ3 3.96Å; Q144-W162 HydrophobicContact CB-CD2 3.75Å; Q144-W162 VanDerWaalsContact CB-CE2 3.46Å; Q144-W162 HydrophobicContact CB-CE3 4.17Å; Q144-W162 HydrophobicContact CB-CG 4.2Å; Q144-W162 HydrophobicContact CB-CH2 4.11Å; Q144-W162 HydrophobicContact CB-CZ2 3.68Å; Q144-W162 HydrophobicContact CB-CZ3 4.33Å; Q144-W162 HydrophobicContact CG-CD2 3.98Å; Q144-W162 HydrophobicContact CG-CG 3.86Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.08Å; Y146-W162 HydrophobicContact CE2-CB 4.1Å; K158-W162 WeakPolarHBondContact O-CB 3.46Å; K158-W162 PolarHBondContact O-N 3.34Å; P159-W162 PolarHBondContact O-N 3.03Å; W162-R165 PolarHBondContact O-N 2.6Å; W162-R166 HydrophobicContact CD2-CG 4.02Å; W162-R166 HydrophobicContact CE3-CG 3.93Å; W162-R166 HydrophobicContact CH2-CG 3.82Å; W162-R166 HydrophobicContact CZ2-CG 3.89Å; W162-R166 VanDerWaalsContact CZ2-NE 3.33Å; W162-R166 HydrophobicContact CZ3-CG 3.85Å; W162-R166 WeakPolarHBondContact O-CG 3.48Å; W162-R166 PolarHBondContact O-N 3.27Å; W162-R166 VanDerWaalsContact O-N 3.09Å
163	L	98.4	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-44.8	176.7	-72.8	174.6	0	0	0	111.9	L12 F60 C84 I86 P115 V117 P159 F160 R165 R166 L167	L12-L163 HydrophobicContact CD1-CD1 3.53Å; L12-L163 HydrophobicContact CG-CD1 4.44Å; F60-L163 HydrophobicContact CE1-CB 4.04Å; F60-L163 HydrophobicContact CZ-CB 3.93Å; C84-L163 HydrophobicContact CB-CD1 4.25Å; C84-L163 HydrophobicContact CB-CD2 3.65Å; C84-L163 HydrophobicContact CB-CG 4.45Å; I86-L163 HydrophobicContact CD1-CD1 4.22Å; I86-L163 HydrophobicContact CG1-CD1 3.92Å; P115-L163 HydrophobicContact CB-CD2 3.82Å; V117-L163 HydrophobicContact CG2-CD1 4.2Å; V117-L163 HydrophobicContact CG2-CD2 3.95Å; V117-L163 HydrophobicContact CG2-CG 3.78Å; P159-L163 WeakPolarHBondContact O-CB 3.2Å; P159-L163 VanDerWaalsContact O-CG 3.28Å; P159-L163 WeakPolarHBondContact O-CG 3.18Å; P159-L163 PolarHBondContact O-N 2.96Å; F160-L163 PolarHBondContact O-N 3.04Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.05Å; L163-R166 PolarHBondContact O-N 3.17Å; L163-R166 VanDerWaalsContact O-N 3.16Å; L163-L167 HydrophobicContact CB-CD1 4.44Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.41Å; L163-L167 PolarHBondContact O-N 2.83Å
164	A	98	Very high	96.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-43.3	178.3	0	0	0	0	0	111.4	F60 F160 L161 R166 S168 L173 F175	F60-A164 HydrophobicContact CE2-CB 4.26Å; F60-A164 HydrophobicContact CZ-CB 4.09Å; F160-A164 VanDerWaalsContact O-CB 3.27Å; F160-A164 WeakPolarHBondContact O-CB 3Å; F160-A164 PolarHBondContact O-N 3.13Å; L161-A164 PolarHBondContact O-N 3.17Å; A164-R166 PolarHBondContact O-N 3.48Å; A164-S168 VanDerWaalsContact O-CB 3.29Å; A164-S168 WeakPolarHBondContact O-CB 3.2Å; A164-S168 PolarHBondContact O-N 3.23Å; A164-S168 PolarHBondContact O-OG 2.88Å; A164-L173 HydrophobicContact CB-CD1 4.26Å; A164-L173 HydrophobicContact CB-CD2 3.95Å; A164-F175 HydrophobicContact CB-CE1 4.25Å
165	R	98.2	Very high	96.5	Very high	84 Å²	84	51.5 Å²	51.5	32%	0.317	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-43.5	175.2	-71.5	170.4	174.2	171.4	-3	112.3	L161 W162 L163 N169 Q170 P171 L173	L161-R165 VanDerWaalsContact O-CG 3.3Å; L161-R165 WeakPolarHBondContact O-CG 2.99Å; L161-R165 PolarHBondContact O-N 3.33Å; W162-R165 PolarHBondContact O-N 2.6Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.05Å; R165-N169 WeakPolarHBondContact O-CA 3.36Å; R165-N169 PolarHBondContact O-N 3.17Å; R165-N169 VanDerWaalsContact O-N 3.13Å; R165-Q170 WeakPolarHBondContact CG-O 3.11Å; R165-Q170 PolarHBondContact O-N 2.88Å; R165-P171 PolarHBondContact NE-O 2.96Å; R165-L173 HydrophobicContact CG-CB 3.96Å; R165-L173 VanDerWaalsContact CZ-O 3.25Å; R165-L173 PolarHBondContact NE-O 3.1Å; R165-L173 PolarHBondContact NH2-O 3.1Å
166	R	97.4	Very high	96.5	Very high	155 Å²	155	53.1 Å²	53.1	59%	0.585	27%	0.266	S	S	*	.	H	α-helix	trans	-67.3	-45.7	179.3	-71.3	-65.1	-171.9	172	0.7	112.3	P115 W162 L163 A164	P115-R166 HydrophobicContact CB-CB 4.09Å; P115-R166 HydrophobicContact CB-CG 4.49Å; P115-R166 HydrophobicContact CG-CB 4.03Å; W162-R166 HydrophobicContact CD2-CG 4.02Å; W162-R166 HydrophobicContact CE3-CG 3.93Å; W162-R166 HydrophobicContact CH2-CG 3.82Å; W162-R166 HydrophobicContact CZ2-CG 3.89Å; W162-R166 VanDerWaalsContact CZ2-NE 3.33Å; W162-R166 HydrophobicContact CZ3-CG 3.85Å; W162-R166 WeakPolarHBondContact O-CG 3.48Å; W162-R166 PolarHBondContact O-N 3.27Å; W162-R166 VanDerWaalsContact O-N 3.09Å; L163-R166 PolarHBondContact O-N 3.17Å; L163-R166 VanDerWaalsContact O-N 3.16Å; A164-R166 PolarHBondContact O-N 3.48Å
167	L	97.4	Very high	96	Very high	41 Å²	41	56 Å²	56	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-75	-31.3	-175.4	-67.4	165.9	0	0	0	113.4	Y10 F60 D83 C84 P115 L163	Y10-L167 HydrophobicContact CD1-CB 4.03Å; Y10-L167 HydrophobicContact CD1-CD1 3.87Å; Y10-L167 HydrophobicContact CD1-CD2 4.25Å; Y10-L167 HydrophobicContact CD1-CG 4.28Å; Y10-L167 HydrophobicContact CD2-CD1 4.06Å; Y10-L167 HydrophobicContact CE1-CB 3.67Å; Y10-L167 HydrophobicContact CE1-CD1 4.37Å; Y10-L167 HydrophobicContact CE1-CD2 4.49Å; Y10-L167 HydrophobicContact CE1-CG 4.4Å; Y10-L167 HydrophobicContact CE2-CB 4.19Å; Y10-L167 HydrophobicContact CG-CB 4.43Å; Y10-L167 HydrophobicContact CG-CD1 3.69Å; F60-L167 HydrophobicContact CE1-CD1 3.7Å; F60-L167 HydrophobicContact CZ-CD1 4.31Å; D83-L167 HydrophobicContact CB-CD2 4.16Å; D83-L167 WeakPolarHBondContact O-CD2 3.47Å; C84-L167 HydrophobicContact CB-CD1 4.01Å; C84-L167 HydrophobicContact CB-CD2 4.5Å; P115-L167 HydrophobicContact CG-CD2 4.16Å; L163-L167 HydrophobicContact CB-CD1 4.44Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.41Å; L163-L167 PolarHBondContact O-N 2.83Å
168	S	96.5	Very high	94.8	Very high	38 Å²	38	62.3 Å²	62.3	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-90.9	-8.2	177.1	64.1	0	0	0	0	113.8	A164 Q170	A164-S168 VanDerWaalsContact O-CB 3.29Å; A164-S168 WeakPolarHBondContact O-CB 3.2Å; A164-S168 PolarHBondContact O-N 3.23Å; A164-S168 PolarHBondContact O-OG 2.88Å; S168-Q170 PolarHBondContact O-N 2.73Å; S168-Q170 WeakPolarHBondContact OG-CB 3.47Å; S168-Q170 PolarHBondContact OG-N 2.89Å
169	N	96.5	Very high	93.4	Very high	139 Å²	139	60.4 Å²	60.4	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	35.3	-169.6	-162.9	33.6	0	0	0	113.2	R165 P171	R165-N169 WeakPolarHBondContact O-CA 3.36Å; R165-N169 PolarHBondContact O-N 3.17Å; R165-N169 VanDerWaalsContact O-N 3.13Å; N169-P171 WeakPolarHBondContact O-CD 3.36Å
170	Q	96.2	Very high	91.9	Very high	73 Å²	73	61.9 Å²	61.9	34%	0.341	33%	0.332	S	S	.	.			trans	-115.1	89.5	178.8	-63.8	-62.2	-23.1	0	0	110	F55 R165 S168 N172 L173	F55-Q170 HydrophobicContact CD1-CG 4.48Å; F55-Q170 HydrophobicContact CD2-CB 4.25Å; F55-Q170 HydrophobicContact CD2-CG 4.39Å; F55-Q170 HydrophobicContact CE2-CB 4.16Å; F55-Q170 HydrophobicContact CG-CG 4.37Å; R165-Q170 WeakPolarHBondContact CG-O 3.11Å; R165-Q170 PolarHBondContact O-N 2.88Å; S168-Q170 PolarHBondContact O-N 2.73Å; S168-Q170 WeakPolarHBondContact OG-CB 3.47Å; S168-Q170 PolarHBondContact OG-N 2.89Å; Q170-N172 PolarHBondContact O-N 2.85Å; Q170-L173 HydrophobicContact CB-CB 3.93Å; Q170-L173 HydrophobicContact CB-CD1 4.43Å; Q170-L173 VanDerWaalsContact O-CB 3.26Å; Q170-L173 WeakPolarHBondContact O-CB 3.41Å; Q170-L173 PolarHBondContact O-N 2.89Å; Q170-L173 VanDerWaalsContact O-N 3.09Å
171	P	95.7	Very high	90.6	Very high	92 Å²	92	67.5 Å²	67.5	60%	0.597	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.8	-177.3	24	-33.6	0	0	0	113.3	R165 N169 L173	R165-P171 PolarHBondContact NE-O 2.96Å; N169-P171 WeakPolarHBondContact O-CD 3.36Å; P171-L173 VanDerWaalsContact C-N 3.33Å
172	N	97.2	Very high	89.5	Confident	122 Å²	122	70 Å²	70	65%	0.652	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	8.5	179.6	-61.1	-33.7	0	0	0	113.4	N54 Q170 V174	N54-N172 PolarHBondContact ND2-O 3.1Å; N54-N172 VanDerWaalsContact ND2-O 3.1Å; Q170-N172 PolarHBondContact O-N 2.85Å; N172-V174 PolarHBondContact O-N 3.03Å
173	L	97.4	Very high	88.5	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.026	39%	0.39	C	S	.	.			trans	-62.9	132.7	175.7	-175.2	155.7	0	0	0	109.6	T53 N54 F55 L161 A164 R165 Q170 P171 F175	T53-L173 HydrophobicContact CG2-CD1 4.16Å; T53-L173 HydrophobicContact CG2-CD2 3.91Å; T53-L173 HydrophobicContact CG2-CG 4.13Å; N54-L173 WeakPolarHBondContact OD1-CA 3.47Å; F55-L173 HydrophobicContact CD2-CB 4Å; F55-L173 HydrophobicContact CD2-CG 4.23Å; F55-L173 HydrophobicContact CE2-CB 4.23Å; L161-L173 HydrophobicContact CD1-CD2 3.66Å; L161-L173 WeakPolarHBondContact CD1-O 3.48Å; A164-L173 HydrophobicContact CB-CD1 4.26Å; A164-L173 HydrophobicContact CB-CD2 3.95Å; R165-L173 HydrophobicContact CG-CB 3.96Å; R165-L173 VanDerWaalsContact CZ-O 3.25Å; R165-L173 PolarHBondContact NE-O 3.1Å; R165-L173 PolarHBondContact NH2-O 3.1Å; Q170-L173 HydrophobicContact CB-CB 3.93Å; Q170-L173 HydrophobicContact CB-CD1 4.43Å; Q170-L173 VanDerWaalsContact O-CB 3.26Å; Q170-L173 WeakPolarHBondContact O-CB 3.41Å; Q170-L173 PolarHBondContact O-N 2.89Å; Q170-L173 VanDerWaalsContact O-N 3.09Å; P171-L173 VanDerWaalsContact C-N 3.33Å; L173-F175 HydrophobicContact CD2-CD1 4.15Å; L173-F175 HydrophobicContact CD2-CE1 4.07Å
174	V	96.4	Very high	87.5	Confident	63 Å²	63	77 Å²	77	38%	0.382	42%	0.42	S	S	.	.			trans	-131.4	149.5	171.7	-64.1	0	0	0	0	109.2	T53 N54 N172 V176	T53-V174 WeakPolarHBondContact CA-O 3.33Å; T53-V174 WeakPolarHBondContact CB-O 3.18Å; N54-V174 HydrophobicContact CB-CG2 4.02Å; N54-V174 PolarHBondContact N-O 3.49Å; N54-V174 PolarHBondContact OD1-N 3.23Å; N54-V174 PolarHBondContact OD1-O 2.89Å; N172-V174 PolarHBondContact O-N 3.03Å; V174-V176 HydrophobicContact CG2-CG1 4.19Å
175	F	94.7	Very high	86.6	Confident	27 Å²	27	80.1 Å²	80.1	12%	0.118	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-75.1	140.9	168.1	-66	-19.4	0	0	0	109.9	F51 Q52 T53 E157 F160 L161 A164 L173	F51-F175 HydrophobicContact CB-CD1 4.01Å; F51-F175 HydrophobicContact CB-CE1 3.72Å; F51-F175 HydrophobicContact CB-CZ 4.08Å; F51-F175 HydrophobicContact CD1-CD1 4.38Å; F51-F175 AromaticContact CD1-CD2 3.84Å; F51-F175 HydrophobicContact CD1-CD2 3.84Å; F51-F175 HydrophobicContact CD1-CE1 4.06Å; F51-F175 AromaticContact CD1-CE2 3.49Å; F51-F175 HydrophobicContact CD1-CE2 3.49Å; F51-F175 VanDerWaalsContact CD1-CE2 3.49Å; F51-F175 HydrophobicContact CD1-CG 4.28Å; F51-F175 AromaticContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CD2-CZ 4.43Å; F51-F175 HydrophobicContact CE1-CD2 4.34Å; F51-F175 AromaticContact CE1-CE2 3.77Å; F51-F175 HydrophobicContact CE1-CE2 3.77Å; F51-F175 HydrophobicContact CE1-CZ 4.12Å; F51-F175 HydrophobicContact CG-CD1 4.49Å; F51-F175 AromaticContact CG-CE1 3.97Å; F51-F175 HydrophobicContact CG-CE1 3.97Å; F51-F175 HydrophobicContact CG-CE2 4.16Å; F51-F175 AromaticContact CG-CZ 3.78Å; F51-F175 HydrophobicContact CG-CZ 3.78Å; Q52-F175 WeakPolarHBondContact O-CA 3.45Å; T53-F175 HydrophobicContact CG2-CD1 3.97Å; T53-F175 HydrophobicContact CG2-CE1 4.2Å; E157-F175 HydrophobicContact CB-CD2 4.03Å; E157-F175 HydrophobicContact CB-CE2 4.11Å; E157-F175 HydrophobicContact CG-CD2 4.4Å; F160-F175 HydrophobicContact CB-CE2 3.92Å; F160-F175 HydrophobicContact CB-CZ 3.82Å; L161-F175 HydrophobicContact CB-CD2 4.31Å; L161-F175 HydrophobicContact CB-CE2 3.86Å; L161-F175 HydrophobicContact CB-CZ 4.06Å; L161-F175 HydrophobicContact CD1-CD1 4.07Å; L161-F175 HydrophobicContact CD1-CD2 4.47Å; L161-F175 HydrophobicContact CD1-CE1 4.14Å; L161-F175 HydrophobicContact CD1-CG 4.25Å; L161-F175 HydrophobicContact CD1-CZ 4.37Å; A164-F175 HydrophobicContact CB-CE1 4.25Å; L173-F175 HydrophobicContact CD2-CD1 4.15Å; L173-F175 HydrophobicContact CD2-CE1 4.07Å
176	V	92.8	Very high	85.8	Confident	59 Å²	59	85 Å²	85	36%	0.358	46%	0.46	S	S	.	.			trans	-128	134.5	179.5	-56.2	0	0	0	0	109.2	Q52 N54 V174	Q52-V176 HydrophobicContact CB-CG2 4.22Å; Q52-V176 WeakPolarHBondContact CB-O 3.45Å; Q52-V176 HydrophobicContact CG-CG2 3.48Å; Q52-V176 VanDerWaalsContact CG-CG2 3.48Å; Q52-V176 PolarHBondContact O-N 2.74Å; N54-V176 HydrophobicContact CB-CG1 4.36Å; V174-V176 HydrophobicContact CG2-CG1 4.19Å
177	G	82	Confident	85.2	Confident	68 Å²	68	78.9 Å²	78.9	70%	0.701	44%	0.438	S	S	*	.	S	Bend	trans	97.6	177.7	-173.1	0	0	0	0	0	113.2
178	E	69.2	Low	84.8	Confident	193 Å²	193	80.8 Å²	80.8	90%	0.902	45%	0.449	S	S	*	.			trans	-91.9	124.5	176.9	-65.4	-176	169.3	0	0	110
179	H	66.4	Low	84.3	Confident	39 Å²	39	83.8 Å²	83.8	18%	0.181	46%	0.461	C	S	.	.			trans	-108.8	-8.1	178.7	-55.6	-61.7	0	0	0	114.3	E157	E157-H179 WeakPolarHBondContact OE1-CB 3.16Å; E157-H179 IonicContact OE1-CD2 2.81Å; E157-H179 PolarHBondContact OE1-CD2 2.89Å; E157-H179 IonicContact OE1-CG 3.08Å
180	A	65.4	Low	83.9	Confident	32 Å²	32	82 Å²	82	26%	0.264	45%	0.452	S	S	.	.	S	Bend	trans	-145.1	141.4	179.4	0	0	0	0	0	112.3	F156	F156-A180 HydrophobicContact CD1-CB 4.32Å; F156-A180 HydrophobicContact CE1-CB 4.29Å
181	K	70.2	Confident	83.3	Confident	119 Å²	119	81.3 Å²	81.3	52%	0.517	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-60.9	145.9	166.7	-67.5	179.9	-177.2	170.8	0	109.8	R28 E33 N153	R28-K181 PolarHBondContact NH2-O 2.97Å; E33-K181 IonicContact OE1-NZ 3.75Å; N153-K181 PolarHBondContact ND2-O 2.93Å
182	A	74.7	Confident	82.8	Confident	85 Å²	85	77.3 Å²	77.3	70%	0.702	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-49.4	138.6	174.7	0	0	0	0	0	111.2	R28	R28-A182 PolarHBondContact NH2-O 2.74Å
183	P	78.9	Confident	82.3	Confident	48 Å²	48	78.8 Å²	78.8	31%	0.312	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-70.6	139.9	-179	30.9	-34.9	0	0	0	110.8	S152 N153 F185	S152-P183 WeakPolarHBondContact O-CG 3.45Å; N153-P183 HydrophobicContact CB-CB 4.38Å; N153-P183 HydrophobicContact CB-CG 4.46Å; P183-F185 PolarHBondContact O-N 2.79Å
184	E	75.8	Confident	81.9	Confident	135 Å²	135	84.9 Å²	84.9	63%	0.631	45%	0.448	S	S	*	.	S	Bend	trans	-68.5	-23.8	170.7	-69.6	178.6	-169.4	0	0	111.8	K36	K36-E184 IonicContact NZ-OE2 2.68Å
185	F	80.3	Confident	81.3	Confident	65 Å²	65	82.3 Å²	82.3	29%	0.285	43%	0.434	S	S	.	.	S	Bend	trans	-118.3	129	-175.7	-61.8	-82.2	0	0	0	110.4	R151 S152 P183	R151-F185 HydrophobicContact CG-CB 4.05Å; R151-F185 HydrophobicContact CG-CD2 3.67Å; R151-F185 HydrophobicContact CG-CE2 4.45Å; R151-F185 HydrophobicContact CG-CG 4.02Å; R151-F185 VanDerWaalsContact NE-CD2 3.29Å; R151-F185 VanDerWaalsContact NH2-CD1 3.31Å; S152-F185 VanDerWaalsContact CA-O 3.3Å; S152-F185 WeakPolarHBondContact CA-O 3.34Å; S152-F185 VanDerWaalsContact CB-O 3.27Å; S152-F185 WeakPolarHBondContact CB-O 3.38Å; P183-F185 PolarHBondContact O-N 2.79Å
186	Q	81.1	Confident	81	Confident	187 Å²	187	84.4 Å²	84.4	87%	0.874	44%	0.444	S	S	*	.			trans	-90.2	137.5	172.6	-65	-176.1	-5.6	0	0	109.8
187	I	85.6	Confident	80.8	Confident	26 Å²	26	87.7 Å²	87.7	13%	0.133	45%	0.453	C	S	.	.			trans	-81.2	144.6	171.1	-168	161.3	0	0	0	109.6	V123 D124 Y154 L189 V192	V123-I187 HydrophobicContact CG2-CD1 3.62Å; D124-I187 HydrophobicContact CB-CD1 4.33Å; D124-I187 HydrophobicContact CB-CG1 4.38Å; Y154-I187 HydrophobicContact CD1-CD1 4.2Å; Y154-I187 HydrophobicContact CD2-CG2 4.4Å; Y154-I187 HydrophobicContact CG-CD1 4.1Å; Y154-I187 HydrophobicContact CG-CG2 4.44Å; I187-L189 HydrophobicContact CG2-CD2 4.29Å; I187-L189 PolarHBondContact O-N 2.64Å; I187-V192 HydrophobicContact CD1-CG2 3.31Å; I187-V192 HydrophobicContact CG1-CG2 3.62Å; I187-V192 HydrophobicContact CG2-CG2 4.22Å
188	D	88.4	Confident	81.1	Confident	82 Å²	82	87.6 Å²	87.6	44%	0.439	44%	0.435	S	S	.	.			trans	-70.3	109.9	170.7	-172.2	-22.2	0	0	0	109.5	N190 I191 V192	D188-N190 PolarHBondContact O-N 3.15Å; D188-N190 WeakPolarHBondContact OD1-CB 3.46Å; D188-N190 PolarHBondContact OD1-N 3.33Å; D188-I191 HydrophobicContact CB-CB 4.31Å; D188-I191 HydrophobicContact CB-CD1 3.82Å; D188-I191 HydrophobicContact CB-CG1 3.92Å; D188-I191 PolarHBondContact O-N 3.23Å; D188-V192 PolarHBondContact O-N 3.04Å
189	L	85.4	Confident	81.9	Confident	100 Å²	100	80.4 Å²	80.4	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-22.9	-177.9	-65.6	178.1	0	0	0	112.9	I187 R193	I187-L189 HydrophobicContact CG2-CD2 4.29Å; I187-L189 PolarHBondContact O-N 2.64Å; L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 WeakPolarHBondContact O-CD 3.49Å; L189-R193 WeakPolarHBondContact O-CG 3.4Å; L189-R193 PolarHBondContact O-N 3.47Å
190	N	88.8	Confident	82.9	Confident	102 Å²	102	85.1 Å²	85.1	55%	0.545	42%	0.424	S	S	.	.	H	α-helix	trans	-71.3	-44.1	177	-63.8	-38.9	0	0	0	110.7	D188 V192 R193 E194	D188-N190 PolarHBondContact O-N 3.15Å; D188-N190 WeakPolarHBondContact OD1-CB 3.46Å; D188-N190 PolarHBondContact OD1-N 3.33Å; N190-V192 VanDerWaalsContact C-N 3.28Å; N190-V192 PolarHBondContact O-N 3.24Å; N190-R193 PolarHBondContact O-N 2.92Å; N190-E194 PolarHBondContact O-N 3.26Å
191	I	83.1	Confident	84	Confident	58 Å²	58	87.5 Å²	87.5	30%	0.297	43%	0.43	S	S	.	.	H	α-helix	trans	-59.3	-43.4	176.4	-62.3	-179.3	0	0	0	110.3	D188 A195	D188-I191 HydrophobicContact CB-CB 4.31Å; D188-I191 HydrophobicContact CB-CD1 3.82Å; D188-I191 HydrophobicContact CB-CG1 3.92Å; D188-I191 PolarHBondContact O-N 3.23Å; I191-A195 WeakPolarHBondContact O-CB 3.14Å; I191-A195 PolarHBondContact O-N 3.03Å
192	V	84.5	Confident	84.6	Confident	8 Å²	8	82.2 Å²	82.2	5%	0.048	41%	0.408	C	S	.	.	H	α-helix	trans	-62.5	-48.9	177.7	169.2	0	0	0	0	111.7	Y154 I187 D188 N190 E194 A195 E196	Y154-V192 HydrophobicContact CD1-CG2 4.48Å; Y154-V192 HydrophobicContact CD2-CG1 4.27Å; Y154-V192 HydrophobicContact CD2-CG2 4.42Å; Y154-V192 HydrophobicContact CE1-CG1 3.92Å; Y154-V192 HydrophobicContact CE1-CG2 4.31Å; Y154-V192 HydrophobicContact CE2-CB 4.46Å; Y154-V192 HydrophobicContact CE2-CG1 3.38Å; Y154-V192 HydrophobicContact CE2-CG2 4.3Å; Y154-V192 WeakPolarHBondContact OH-CG1 3.29Å; I187-V192 HydrophobicContact CD1-CG2 3.31Å; I187-V192 HydrophobicContact CG1-CG2 3.62Å; I187-V192 HydrophobicContact CG2-CG2 4.22Å; D188-V192 PolarHBondContact O-N 3.04Å; N190-V192 VanDerWaalsContact C-N 3.28Å; N190-V192 PolarHBondContact O-N 3.24Å; V192-E194 VanDerWaalsContact C-N 3.31Å; V192-E194 PolarHBondContact O-N 3.26Å; V192-A195 PolarHBondContact O-N 3.14Å; V192-A195 VanDerWaalsContact O-N 3.16Å; V192-E196 HydrophobicContact CG1-CG 4.34Å; V192-E196 WeakPolarHBondContact O-CG 3.5Å; V192-E196 PolarHBondContact O-N 3.16Å
193	R	88	Confident	84.9	Confident	154 Å²	154	80.6 Å²	80.6	58%	0.581	40%	0.395	S	S	*	.	H	α-helix	trans	-62.4	-38.4	-179.4	-77.1	170.9	177.7	168.7	-0.9	112.3	L189 N190 K197	L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 WeakPolarHBondContact O-CD 3.49Å; L189-R193 WeakPolarHBondContact O-CG 3.4Å; L189-R193 PolarHBondContact O-N 3.47Å; N190-R193 PolarHBondContact O-N 2.92Å; R193-K197 VanDerWaalsContact O-CB 3.31Å; R193-K197 WeakPolarHBondContact O-CB 3.41Å; R193-K197 PolarHBondContact O-N 2.98Å
194	E	87.9	Confident	85	Confident	133 Å²	133	82.5 Å²	82.5	62%	0.621	42%	0.415	S	S	*	.	H	α-helix	trans	-63.3	-45.2	173.9	-75.9	-178	158.5	0	0	111.2	N190 V192 K197 E198	N190-E194 PolarHBondContact O-N 3.26Å; V192-E194 VanDerWaalsContact C-N 3.31Å; V192-E194 PolarHBondContact O-N 3.26Å; E194-K197 PolarHBondContact O-N 3.38Å; E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 3.41Å
195	A	85.1	Confident	85.2	Confident	9 Å²	9	80.6 Å²	80.6	7%	0.074	41%	0.412	C	S	.	.	H	α-helix	trans	-63.9	-41	177.6	0	0	0	0	0	113.3	R128 S132 I191 V192 E198 L199	R128-A195 VanDerWaalsContact NH1-CB 3.31Å; S132-A195 PolarHBondContact OG-O 3.44Å; I191-A195 WeakPolarHBondContact O-CB 3.14Å; I191-A195 PolarHBondContact O-N 3.03Å; V192-A195 PolarHBondContact O-N 3.14Å; V192-A195 VanDerWaalsContact O-N 3.16Å; A195-E198 PolarHBondContact O-N 2.97Å; A195-L199 WeakPolarHBondContact O-CB 3.31Å; A195-L199 PolarHBondContact O-N 2.87Å
196	E	87.4	Confident	84.9	Confident	71 Å²	71	81.6 Å²	81.6	33%	0.332	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-48.1	174.1	-75.6	177.1	162.3	0	0	110.6	Y154 V192 E198 L199 E200	Y154-E196 PolarHBondContact OH-OE1 3.31Å; V192-E196 HydrophobicContact CG1-CG 4.34Å; V192-E196 WeakPolarHBondContact O-CG 3.5Å; V192-E196 PolarHBondContact O-N 3.16Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-E198 PolarHBondContact O-N 2.99Å; E196-L199 WeakPolarHBondContact O-CB 3.42Å; E196-L199 PolarHBondContact O-N 3.42Å; E196-L199 VanDerWaalsContact O-N 3.14Å; E196-E200 WeakPolarHBondContact O-CG 3.36Å; E196-E200 PolarHBondContact O-N 3.41Å
197	K	89.5	Confident	84.3	Confident	128 Å²	128	74.9 Å²	74.9	56%	0.557	40%	0.402	S	S	*	.	H	α-helix	trans	-59.9	-42.8	176.5	-176.9	-178.9	179.5	-177.6	0	112	R193 E194 L199 E200 Q201	R193-K197 VanDerWaalsContact O-CB 3.31Å; R193-K197 WeakPolarHBondContact O-CB 3.41Å; R193-K197 PolarHBondContact O-N 2.98Å; E194-K197 PolarHBondContact O-N 3.38Å; K197-L199 VanDerWaalsContact C-N 3.32Å; K197-L199 PolarHBondContact O-N 2.9Å; K197-E200 PolarHBondContact O-N 3Å; K197-Q201 WeakPolarHBondContact O-CB 3.22Å; K197-Q201 WeakPolarHBondContact O-CG 3.42Å; K197-Q201 PolarHBondContact O-N 3.06Å
198	E	87.9	Confident	83.3	Confident	66 Å²	66	78.5 Å²	78.5	31%	0.308	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-36.6	176.2	-76	-171.3	173.8	0	0	112.6	E194 A195 E196 A202	E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 3.41Å; A195-E198 PolarHBondContact O-N 2.97Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-E198 PolarHBondContact O-N 2.99Å; E198-A202 VanDerWaalsContact O-CB 3.29Å; E198-A202 WeakPolarHBondContact O-CB 3.42Å; E198-A202 PolarHBondContact O-N 2.93Å
199	L	85.5	Confident	81.8	Confident	41 Å²	41	82.3 Å²	82.3	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-68.1	-43.5	177	-174.9	71.1	0	0	0	111.3	Y145 A195 E196 K197 A202 A203	Y145-L199 HydrophobicContact CD1-CD1 3.82Å; Y145-L199 HydrophobicContact CD1-CD2 3.66Å; Y145-L199 HydrophobicContact CD1-CG 4.41Å; Y145-L199 HydrophobicContact CE1-CD1 3.97Å; Y145-L199 HydrophobicContact CE1-CD2 3.94Å; A195-L199 WeakPolarHBondContact O-CB 3.31Å; A195-L199 PolarHBondContact O-N 2.87Å; E196-L199 WeakPolarHBondContact O-CB 3.42Å; E196-L199 PolarHBondContact O-N 3.42Å; E196-L199 VanDerWaalsContact O-N 3.14Å; K197-L199 VanDerWaalsContact C-N 3.32Å; K197-L199 PolarHBondContact O-N 2.9Å; L199-A202 PolarHBondContact O-N 3.5Å; L199-A203 WeakPolarHBondContact O-CB 3.46Å; L199-A203 PolarHBondContact O-N 3.27Å
200	E	87.6	Confident	80.4	Confident	139 Å²	139	85.2 Å²	85.2	65%	0.65	45%	0.448	S	S	*	.	H	α-helix	trans	-61.4	-45.1	174.7	-72.6	176.4	176.1	0	0	111.6	E196 K197 A202 A203 A204	E196-E200 WeakPolarHBondContact O-CG 3.36Å; E196-E200 PolarHBondContact O-N 3.41Å; K197-E200 PolarHBondContact O-N 3Å; E200-A202 VanDerWaalsContact C-N 3.32Å; E200-A202 PolarHBondContact O-N 3.14Å; E200-A203 PolarHBondContact O-N 3.27Å; E200-A204 PolarHBondContact O-N 3.35Å; E200-A204 VanDerWaalsContact O-N 3.12Å
201	Q	87.9	Confident	78.7	Confident	82 Å²	82	84 Å²	84	38%	0.383	44%	0.441	S	S	.	.	H	α-helix	trans	-59.7	-43.5	174.3	-74.5	175.2	-2	0	0	111.7	K197 A203 A204 V205	K197-Q201 WeakPolarHBondContact O-CB 3.22Å; K197-Q201 WeakPolarHBondContact O-CG 3.42Å; K197-Q201 PolarHBondContact O-N 3.06Å; Q201-A203 VanDerWaalsContact C-N 3.35Å; Q201-A204 PolarHBondContact O-N 3.47Å; Q201-V205 WeakPolarHBondContact O-CG2 3.22Å
202	A	83.8	Confident	77.2	Confident	7 Å²	7	85.1 Å²	85.1	6%	0.058	45%	0.447	C	S	.	.	H	α-helix	trans	-66.7	-36.5	178.5	0	0	0	0	0	112.3	R133 R139 E198 L199 E200 A204 V205	R133-A202 HydrophobicContact CG-CB 4.37Å; R139-A202 PolarHBondContact NH1-O 3.39Å; E198-A202 VanDerWaalsContact O-CB 3.29Å; E198-A202 WeakPolarHBondContact O-CB 3.42Å; E198-A202 PolarHBondContact O-N 2.93Å; L199-A202 PolarHBondContact O-N 3.5Å; E200-A202 VanDerWaalsContact C-N 3.32Å; E200-A202 PolarHBondContact O-N 3.14Å; A202-A204 VanDerWaalsContact C-N 3.28Å; A202-A204 PolarHBondContact O-N 2.97Å; A202-V205 PolarHBondContact O-N 2.87Å
203	A	81.6	Confident	75.2	Confident	52 Å²	52	93.1 Å²	93.1	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-27.6	176.4	0	0	0	0	0	112.9	R139 L199 E200 Q201 V205	R139-A203 PolarHBondContact NH2-O 3.42Å; L199-A203 WeakPolarHBondContact O-CB 3.46Å; L199-A203 PolarHBondContact O-N 3.27Å; E200-A203 PolarHBondContact O-N 3.27Å; Q201-A203 VanDerWaalsContact C-N 3.35Å; A203-V205 VanDerWaalsContact C-N 3.33Å
204	A	80.2	Confident	72.9	Confident	88 Å²	88	94.4 Å²	94.4	73%	0.727	50%	0.502	S	S	*	.	H	α-helix	trans	-75.7	-17.3	175.3	0	0	0	0	0	113.7	E200 Q201 A202	E200-A204 PolarHBondContact O-N 3.35Å; E200-A204 VanDerWaalsContact O-N 3.12Å; Q201-A204 PolarHBondContact O-N 3.47Å; A202-A204 VanDerWaalsContact C-N 3.28Å; A202-A204 PolarHBondContact O-N 2.97Å
205	V	79.5	Confident	72.1	Confident	94 Å²	94	92.5 Å²	92.5	57%	0.57	50%	0.496	S	S	*	.	S	Bend	trans	-83.7	130	176.1	-174.3	0	0	0	0	109.6	R139 Q201 A202 A203	R139-V205 VanDerWaalsContact CZ-O 3.27Å; R139-V205 PolarHBondContact NH1-O 2.96Å; R139-V205 PolarHBondContact NH2-O 3.11Å; Q201-V205 WeakPolarHBondContact O-CG2 3.22Å; A202-V205 PolarHBondContact O-N 2.87Å; A203-V205 VanDerWaalsContact C-N 3.33Å
206	A	73.9	Confident	71.5	Confident	86 Å²	86	96.9 Å²	96.9	71%	0.711	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-56.9	142.1	174	0	0	0	0	0	110.7	D208	A206-D208 PolarHBondContact O-N 2.95Å
207	I	69.3	Low	70.6	Confident	47 Å²	47	98.3 Å²	98.3	24%	0.241	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-74.5	125.5	172.9	-53.3	172.5	0	0	0	106	R139 K140 E209 D211 I212	R139-I207 HydrophobicContact CB-CD1 3.5Å; R139-I207 HydrophobicContact CB-CG1 4.4Å; K140-I207 HydrophobicContact CG-CG2 4.33Å; I207-E209 PolarHBondContact O-N 3.44Å; I207-D211 HydrophobicContact CG2-CB 4.3Å; I207-I212 HydrophobicContact CG2-CD1 4.46Å; I207-I212 HydrophobicContact CG2-CG1 4.04Å
208	D	64.9	Low	69.5	Low	102 Å²	102	96.6 Å²	96.6	55%	0.545	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-61	134.1	173.1	-158.4	-22.7	0	0	0	109	A206 E210 D211	A206-D208 PolarHBondContact O-N 2.95Å; D208-E210 PolarHBondContact O-N 3.32Å; D208-D211 HydrophobicContact CB-CB 4.36Å; D208-D211 WeakPolarHBondContact O-CB 3.29Å; D208-D211 PolarHBondContact O-N 3.12Å
209	E	56	Low	68.3	Low	162 Å²	162	98.5 Å²	98.5	76%	0.757	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-65.6	-31.1	-174.4	-70.7	-176	168.1	0	0	111.2	I207 D211 I212	I207-E209 PolarHBondContact O-N 3.44Å; E209-D211 PolarHBondContact O-N 3.26Å; E209-D211 VanDerWaalsContact O-N 3.15Å; E209-I212 WeakPolarHBondContact O-CB 3.44Å; E209-I212 PolarHBondContact O-N 3.46Å
210	E	55	Low	67.2	Low	160 Å²	160	102.3 Å²	102.3	75%	0.748	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-61.5	-22.9	174.4	-64.2	-171.4	175.1	0	0	112.9	D208 I212	D208-E210 PolarHBondContact O-N 3.32Å; E210-I212 VanDerWaalsContact C-N 3.32Å
211	D	54.3	Low	65.7	Low	78 Å²	78	99.7 Å²	99.7	42%	0.417	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-79.5	-16.5	-179.7	-119.1	-30.8	0	0	0	111.8	K140 I207 D208 E209	K140-D211 WeakPolarHBondContact CD-O 3.45Å; K140-D211 WeakPolarHBondContact CE-O 3.45Å; K140-D211 PolarHBondContact NZ-O 2.59Å; K140-D211 IonicContact NZ-OD1 2.79Å; K140-D211 PolarHBondContact NZ-OD1 3.45Å; K140-D211 IonicContact NZ-OD2 3.92Å; I207-D211 HydrophobicContact CG2-CB 4.3Å; D208-D211 HydrophobicContact CB-CB 4.36Å; D208-D211 WeakPolarHBondContact O-CB 3.29Å; D208-D211 PolarHBondContact O-N 3.12Å; E209-D211 PolarHBondContact O-N 3.26Å; E209-D211 VanDerWaalsContact O-N 3.15Å
212	I	50.9	Low	64	Low	81 Å²	81	101.1 Å²	101.1	42%	0.415	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-23	-173.2	-58	176.3	0	0	0	111.9	I207 E209 E210	I207-I212 HydrophobicContact CG2-CD1 4.46Å; I207-I212 HydrophobicContact CG2-CG1 4.04Å; E209-I212 WeakPolarHBondContact O-CB 3.44Å; E209-I212 PolarHBondContact O-N 3.46Å; E210-I212 VanDerWaalsContact C-N 3.32Å
213	E	42.9	Very low	62.3	Low	176 Å²	176	108.9 Å²	108.9	82%	0.822	61%	0.613	S	S	*	*			trans	-91.5	2.5	-170.3	-67.2	-168.1	156.6	0	0	115.9
214	N	39.7	Very low	60.6	Low	181 Å²	181	114.1 Å²	114.1	97%	0.968	63%	0.629	S	S	*	*			trans	-115.6	0	175.7	-68.9	-56	0	0	0	113.3

Retrieved 214 of 214 residues in 56.5 ms (Link to these results)

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