G4V793_SCHMA Loading...

GTP-binding nuclear protein

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.

AlphaFold DB , UniProt , Accession G4V793, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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	41.3	Very low	72.6	Confident	242 Å²	242	100.9 Å²	100.9	100%	1.192	60%	0.599	S	S	*	*				0	117.1	0	-69.9	171.8	175.6	0	0	105.7	D3	M1-D3 PolarHBondContact O-N 3.29Å
2	A	41.9	Very low	74.8	Confident	104 Å²	104	92.6 Å²	92.6	86%	0.86	55%	0.549	S	S	*	.			trans	-64.3	123.1	-176.8	0	0	0	0	0	109.3	Q4	A2-Q4 PolarHBondContact O-N 2.89Å
3	D	55.3	Low	76.5	Confident	165 Å²	165	85.5 Å²	85.5	88%	0.882	51%	0.507	S	S	*	.			trans	-66	113.1	179.1	-151.8	15.1	0	0	0	107.9	M1	M1-D3 PolarHBondContact O-N 3.29Å
4	Q	57.1	Low	78	Confident	153 Å²	153	79.4 Å²	79.4	72%	0.715	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-65.7	137.9	174.6	-74	-175.9	-7.5	0	0	108	A2	A2-Q4 PolarHBondContact O-N 2.89Å
5	P	59.4	Low	79.3	Confident	108 Å²	108	74.1 Å²	74.1	70%	0.701	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-55.1	143.8	177.9	22.4	-32	0	0	0	110.2	V7	P5-V7 PolarHBondContact O-N 2.73Å
6	P	76.4	Confident	80.4	Confident	134 Å²	134	69.5 Å²	69.5	87%	0.87	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-57.1	124.5	-176.8	21.7	-32.1	0	0	0	110.5	A8	P6-A8 PolarHBondContact O-N 2.73Å
7	V	83.5	Confident	81.3	Confident	47 Å²	47	66.4 Å²	66.4	29%	0.285	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-71.7	123.3	177.3	176.2	0	0	0	0	108.8	P5 A9 K57 R59	P5-V7 PolarHBondContact O-N 2.73Å; V7-A9 PolarHBondContact O-N 3.39Å; V7-A9 VanDerWaalsContact O-N 3.08Å; V7-K57 HydrophobicContact CG1-CG 4.13Å; V7-K57 HydrophobicContact CG2-CB 4.5Å; V7-K57 HydrophobicContact CG2-CD 4.01Å; V7-K57 HydrophobicContact CG2-CG 4.23Å; V7-R59 HydrophobicContact CG1-CB 3.9Å
8	A	92.1	Very high	82.1	Confident	46 Å²	46	64.1 Å²	64.1	38%	0.38	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	112.4	174.3	0	0	0	0	0	109.8	P6 F10 M58 R59	P6-A8 PolarHBondContact O-N 2.73Å; A8-F10 HydrophobicContact CB-CE2 4.01Å; A8-F10 HydrophobicContact CB-CZ 4.36Å; A8-M58 HydrophobicContact CB-CE 4.47Å; A8-M58 WeakPolarHBondContact O-CA 3.45Å; A8-R59 PolarHBondContact O-N 3.48Å
9	A	96.1	Very high	82.7	Confident	55 Å²	55	62.1 Å²	62.1	46%	0.455	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.4	-175.3	0	0	0	0	0	111.7	V7 R59	V7-A9 PolarHBondContact O-N 3.39Å; V7-A9 VanDerWaalsContact O-N 3.08Å; A9-R59 CarbonylContact C-O 3.47Å; A9-R59 WeakPolarHBondContact CA-O 3.41Å; A9-R59 HydrophobicContact CB-CB 4.11Å; A9-R59 HydrophobicContact CB-CG 4.45Å
10	F	97.7	Very high	83.4	Confident	28 Å²	28	59 Å²	59	12%	0.123	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.4	-178.8	-57	-88.8	0	0	0	110.6	A8 L12 M58 R59 F60 N61 R83 F164 L167	A8-F10 HydrophobicContact CB-CE2 4.01Å; A8-F10 HydrophobicContact CB-CZ 4.36Å; F10-L12 PolarHBondContact O-N 3.28Å; F10-M58 HydrophobicContact CD2-CE 4.42Å; F10-M58 HydrophobicContact CE2-CE 3.48Å; F10-M58 VanDerWaalsContact CE2-CE 3.48Å; F10-M58 HydrophobicContact CZ-CE 4.12Å; F10-R59 PolarHBondContact N-O 3.27Å; F10-F60 HydrophobicContact CB-CD1 3.82Å; F10-F60 HydrophobicContact CB-CE1 3.86Å; F10-F60 HydrophobicContact CG-CE1 4.45Å; F10-F60 CarbonylContact O-C 3.56Å; F10-F60 WeakPolarHBondContact O-CA 3.45Å; F10-N61 PolarHBondContact O-N 2.97Å; F10-R83 HydrophobicContact CB-CB 4.36Å; F10-R83 HydrophobicContact CD1-CB 4.38Å; F10-F164 HydrophobicContact CD2-CD1 4.44Å; F10-F164 HydrophobicContact CD2-CE1 4.06Å; F10-F164 HydrophobicContact CE2-CD1 4.49Å; F10-F164 HydrophobicContact CE2-CE1 4.36Å; F10-L167 HydrophobicContact CB-CD1 4.14Å; F10-L167 HydrophobicContact CD1-CB 4.34Å; F10-L167 HydrophobicContact CD1-CD1 3.97Å; F10-L167 HydrophobicContact CD1-CD2 4.13Å; F10-L167 HydrophobicContact CD1-CG 4.39Å; F10-L167 HydrophobicContact CD2-CD1 4.4Å; F10-L167 HydrophobicContact CE1-CB 4.08Å; F10-L167 HydrophobicContact CE1-CD2 4.46Å; F10-L167 HydrophobicContact CG-CD1 3.9Å; F10-L167 HydrophobicContact CZ-CB 4.37Å
11	K	98	Very high	84	Confident	28 Å²	28	56.8 Å²	56.8	12%	0.122	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116	169.9	179	169.4	171.4	171.5	0	109.4	W63 Y78 I80 R83 C84	K11-W63 HydrophobicContact CD-CD2 4.33Å; K11-W63 HydrophobicContact CD-CZ2 4.26Å; K11-W63 VanDerWaalsContact CE-CD2 3.48Å; K11-W63 VanDerWaalsContact CE-CE2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.37Å; K11-Y78 WeakPolarHBondContact CE-O 2.9Å; K11-Y78 PolarHBondContact NZ-O 3.45Å; K11-I80 WeakPolarHBondContact CE-O 3.28Å; K11-I80 PolarHBondContact NZ-O 2.88Å; K11-R83 PolarHBondContact O-N 2.84Å; K11-C84 PolarHBondContact O-N 3.21Å
12	L	98.5	Very high	86.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.2	173.7	-173.9	156.9	0	0	0	108.7	F10 L14 F60 N61 V62 W63 C84 I86 F160 L163	F10-L12 PolarHBondContact O-N 3.28Å; L12-L14 HydrophobicContact CD2-CB 4.19Å; L12-F60 HydrophobicContact CB-CB 4.2Å; L12-F60 HydrophobicContact CB-CD1 3.82Å; L12-F60 HydrophobicContact CB-CG 4.22Å; L12-F60 HydrophobicContact CD1-CB 4.36Å; L12-F60 HydrophobicContact CD1-CD1 3.88Å; L12-F60 HydrophobicContact CD1-CD2 4.22Å; L12-F60 HydrophobicContact CD1-CE1 4.19Å; L12-F60 HydrophobicContact CD1-CE2 4.46Å; L12-F60 HydrophobicContact CD1-CG 3.9Å; L12-F60 HydrophobicContact CD1-CZ 4.46Å; L12-F60 HydrophobicContact CG-CD1 4.48Å; L12-N61 PolarHBondContact N-O 3.05Å; L12-V62 HydrophobicContact CB-CG2 4.33Å; L12-V62 HydrophobicContact CD2-CG1 3.93Å; L12-V62 HydrophobicContact CD2-CG2 4.28Å; L12-V62 CarbonylContact O-C 3.6Å; L12-V62 WeakPolarHBondContact O-CA 3.34Å; L12-W63 PolarHBondContact O-N 3Å; L12-C84 WeakPolarHBondContact CA-O 3.39Å; L12-I86 HydrophobicContact CD1-CD1 4.08Å; L12-I86 HydrophobicContact CD1-CG1 4.34Å; L12-I86 HydrophobicContact CD2-CB 4.45Å; L12-I86 HydrophobicContact CD2-CD1 4.18Å; L12-I86 HydrophobicContact CD2-CG1 4.16Å; L12-F160 HydrophobicContact CD1-CD1 4.02Å; L12-F160 HydrophobicContact CD1-CE1 3.83Å; L12-L163 HydrophobicContact CD1-CD1 3.55Å; L12-L163 HydrophobicContact CG-CD1 4.35Å
13	V	97.4	Very high	89.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.9	175	-169.4	0	0	0	0	109.3	V15 T65 Y79 C84 A85 I86 L107	V13-V15 HydrophobicContact CG1-CG1 3.59Å; V13-T65 HydrophobicContact CG1-CG2 4.19Å; V13-Y79 HydrophobicContact CG1-CD1 3.5Å; V13-Y79 HydrophobicContact CG1-CE1 3.73Å; V13-C84 PolarHBondContact N-O 2.94Å; V13-A85 HydrophobicContact CB-CB 4.21Å; V13-A85 CarbonylContact O-C 3.59Å; V13-A85 WeakPolarHBondContact O-CA 3.37Å; V13-A85 VanDerWaalsContact O-CB 3.24Å; V13-A85 WeakPolarHBondContact O-CB 3.42Å; V13-I86 PolarHBondContact O-N 3.43Å; V13-L107 HydrophobicContact CB-CD1 4.32Å; V13-L107 HydrophobicContact CG1-CD1 4.38Å
14	L	97.8	Very high	91.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113	177.1	177.2	60.4	0	0	0	109.8	L12 K22 V26 V62 W63 T65 I86 M88	L12-L14 HydrophobicContact CD2-CB 4.19Å; L14-K22 HydrophobicContact CD1-CB 4.41Å; L14-K22 HydrophobicContact CD1-CD 4.33Å; L14-K22 HydrophobicContact CD1-CG 4.08Å; L14-K22 HydrophobicContact CD2-CB 3.65Å; L14-K22 HydrophobicContact CD2-CG 4.23Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 3.98Å; L14-K22 HydrophobicContact CG-CG 3.91Å; L14-V26 HydrophobicContact CD2-CG2 3.28Å; L14-V62 HydrophobicContact CB-CG1 4.03Å; L14-V62 HydrophobicContact CD2-CG1 4.29Å; L14-W63 PolarHBondContact N-O 2.97Å; L14-T65 WeakPolarHBondContact O-CB 3.42Å; L14-T65 PolarHBondContact O-N 3.34Å; L14-T65 PolarHBondContact O-OG1 3.29Å; L14-I86 HydrophobicContact CD1-CB 3.7Å; L14-I86 HydrophobicContact CD1-CG2 3.61Å; L14-M88 HydrophobicContact CD1-CB 4.49Å; L14-M88 HydrophobicContact CD1-CE 4.24Å
15	V	96.8	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	167	-173.3	-56.7	0	0	0	0	112.2	V13 K22 T65 Y79 I86 I87 M88 W103	V13-V15 HydrophobicContact CG1-CG1 3.59Å; V15-K22 VanDerWaalsContact C-CD 3.42Å; V15-K22 WeakPolarHBondContact O-CD 3.49Å; V15-T65 HydrophobicContact CG1-CG2 4.43Å; V15-Y79 HydrophobicContact CG1-CD1 4.5Å; V15-Y79 HydrophobicContact CG1-CE1 3.53Å; V15-I86 PolarHBondContact N-O 3.03Å; V15-I87 HydrophobicContact CG2-CB 4.19Å; V15-I87 HydrophobicContact CG2-CG1 3.69Å; V15-I87 HydrophobicContact CG2-CG2 4.25Å; V15-I87 WeakPolarHBondContact O-CA 3.37Å; V15-M88 PolarHBondContact O-N 2.94Å; V15-W103 HydrophobicContact CB-CD2 4.37Å; V15-W103 HydrophobicContact CB-CE3 3.74Å; V15-W103 HydrophobicContact CB-CZ3 4.14Å; V15-W103 HydrophobicContact CG1-CE3 4.39Å; V15-W103 HydrophobicContact CG2-CB 4.26Å; V15-W103 HydrophobicContact CG2-CE3 4.34Å
16	G	97.2	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	16%	0.159	C	C	.	.			trans	134.4	166.5	-177.6	0	0	0	0	0	111.6	K22 G67 M88 W103	G16-K22 WeakPolarHBondContact O-CE 3.49Å; G16-K22 PolarHBondContact O-NZ 3.22Å; G16-G67 WeakPolarHBondContact O-CA 3.32Å; G16-M88 WeakPolarHBondContact CA-O 3.3Å; G16-W103 VanDerWaalsContact C-CE2 3.42Å; G16-W103 VanDerWaalsContact C-CZ2 3.45Å; G16-W103 WeakPolarHBondContact O-CZ2 3.36Å
17	D	96.2	Very high	95.2	Very high	17 Å²	17	19.6 Å²	19.6	9%	0.091	13%	0.131	C	C	.	.			trans	-55.7	158.9	-175.5	-78.7	17.4	0	0	0	113.3	T20 K22 G67 T96 N99 W103	D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CB 3.46Å; D17-T20 VanDerWaalsContact O-CG2 3.26Å; D17-T20 WeakPolarHBondContact O-CG2 3.46Å; D17-T20 PolarHBondContact O-OG1 3.32Å; D17-K22 PolarHBondContact O-NZ 2.9Å; D17-G67 CarbonylContact C-O 3.56Å; D17-T96 HydrophobicContact CB-CG2 3.8Å; D17-T96 WeakPolarHBondContact OD2-CA 3.27Å; D17-N99 WeakPolarHBondContact OD1-CB 3.39Å; D17-N99 PolarHBondContact OD2-ND2 2.8Å; D17-W103 PolarHBondContact OD1-NE1 3.49Å
18	G	94.6	Very high	95.6	Very high	24 Å²	24	17.4 Å²	17.4	25%	0.247	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	142.5	169.9	0	0	0	0	0	111.7	T20 G67	G18-T20 PolarHBondContact O-N 2.8Å; G18-G67 PolarHBondContact N-O 3.06Å
19	G	94.6	Very high	95.4	Very high	26 Å²	26	16.1 Å²	16.1	27%	0.268	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-1	176.8	0	0	0	0	0	115.8	G21 Y38 K122	G19-G21 PolarHBondContact O-N 3.21Å; G19-Y38 PolarHBondContact N-OH 2.92Å; G19-K122 WeakPolarHBondContact O-CE 3.33Å; G19-K122 PolarHBondContact O-NZ 2.83Å
20	T	97.1	Very high	94.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-66	-20.6	176.3	50.2	0	0	0	0	113.9	D17 G18 D90 T96 N121	D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CB 3.46Å; D17-T20 VanDerWaalsContact O-CG2 3.26Å; D17-T20 WeakPolarHBondContact O-CG2 3.46Å; D17-T20 PolarHBondContact O-OG1 3.32Å; G18-T20 PolarHBondContact O-N 2.8Å; T20-D90 HydrophobicContact CG2-CB 4.34Å; T20-T96 HydrophobicContact CG2-CG2 3.9Å; T20-N121 PolarHBondContact O-ND2 3.21Å
21	G	96	Very high	94.2	Very high	14 Å²	14	19.6 Å²	19.6	14%	0.144	12%	0.118	C	C	.	.	S	Bend	trans	105	14.2	176.3	0	0	0	0	0	115.4	G19 T23 T24 F25	G19-G21 PolarHBondContact O-N 3.21Å; G21-T23 PolarHBondContact O-N 2.98Å; G21-T24 PolarHBondContact O-N 2.94Å; G21-F25 WeakPolarHBondContact O-CB 3.36Å; G21-F25 PolarHBondContact O-N 2.76Å
22	K	96.8	Very high	93.5	Very high	10 Å²	10	18.3 Å²	18.3	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-49.9	-56.9	178.7	-63.2	-175	-50.6	-72.2	0	113.4	L14 V15 G16 D17 T24 F25 V26 D64 T65 M88	L14-K22 HydrophobicContact CD1-CB 4.41Å; L14-K22 HydrophobicContact CD1-CD 4.33Å; L14-K22 HydrophobicContact CD1-CG 4.08Å; L14-K22 HydrophobicContact CD2-CB 3.65Å; L14-K22 HydrophobicContact CD2-CG 4.23Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 3.98Å; L14-K22 HydrophobicContact CG-CG 3.91Å; V15-K22 VanDerWaalsContact C-CD 3.42Å; V15-K22 WeakPolarHBondContact O-CD 3.49Å; G16-K22 WeakPolarHBondContact O-CE 3.49Å; G16-K22 PolarHBondContact O-NZ 3.22Å; D17-K22 PolarHBondContact O-NZ 2.9Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 2.98Å; K22-F25 WeakPolarHBondContact O-CB 3.42Å; K22-F25 PolarHBondContact O-N 2.9Å; K22-F25 VanDerWaalsContact O-N 3.16Å; K22-V26 WeakPolarHBondContact O-CG2 3.13Å; K22-V26 PolarHBondContact O-N 3.43Å; K22-D64 VanDerWaalsContact CB-OD1 3.32Å; K22-D64 WeakPolarHBondContact CB-OD1 3.27Å; K22-T65 WeakPolarHBondContact CE-O 3.39Å; K22-M88 HydrophobicContact CG-CB 3.99Å; K22-M88 HydrophobicContact CG-SD 4.06Å; K22-M88 PolarHBondContact N-SD 3.02Å
23	T	94.8	Very high	92.7	Very high	21 Å²	21	23.4 Å²	23.4	13%	0.129	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-42.1	179.3	-47.2	0	0	0	0	112.3	G21 F25 V26 K27 T41 D64	G21-T23 PolarHBondContact O-N 2.98Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 3.43Å; T23-V26 PolarHBondContact O-N 2.82Å; T23-K27 HydrophobicContact CG2-CD 3.95Å; T23-K27 HydrophobicContact CG2-CG 4.21Å; T23-K27 WeakPolarHBondContact O-CB 3.36Å; T23-K27 WeakPolarHBondContact O-CG 3.5Å; T23-K27 PolarHBondContact O-N 3.22Å; T23-T41 PolarHBondContact OG1-OG1 3.08Å; T23-D64 VanDerWaalsContact CA-OD2 3.25Å; T23-D64 WeakPolarHBondContact CA-OD2 3.24Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.45Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.49Å; T23-D64 PolarHBondContact OG1-OD2 3.45Å
24	T	94.5	Very high	91.9	Very high	27 Å²	27	25.7 Å²	25.7	17%	0.166	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-41.9	176.1	-52	0	0	0	0	111.4	G21 K22 R28 F34 E35 A150	G21-T24 PolarHBondContact O-N 2.94Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 2.98Å; T24-R28 WeakPolarHBondContact O-CB 3.45Å; T24-R28 PolarHBondContact O-N 2.8Å; T24-F34 HydrophobicContact CG2-CD2 3.54Å; T24-F34 HydrophobicContact CG2-CE2 3.4Å; T24-F34 HydrophobicContact CG2-CG 4.47Å; T24-F34 HydrophobicContact CG2-CZ 4.23Å; T24-E35 HydrophobicContact CG2-CB 4.48Å; T24-A150 HydrophobicContact CG2-CB 4.27Å
25	F	95	Very high	91.2	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-42.9	176.6	176.9	-100.5	0	0	0	111.9	G21 K22 T23 H29 I86 M88 I148 A150 F156 P159 F160	G21-F25 WeakPolarHBondContact O-CB 3.36Å; G21-F25 PolarHBondContact O-N 2.76Å; K22-F25 WeakPolarHBondContact O-CB 3.42Å; K22-F25 PolarHBondContact O-N 2.9Å; K22-F25 VanDerWaalsContact O-N 3.16Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 3.43Å; F25-H29 AromaticContact CE2-CE1 3.73Å; F25-H29 AromaticContact CZ-CE1 3.7Å; F25-H29 PolarHBondContact O-ND1 3.36Å; F25-I86 HydrophobicContact CE1-CD1 4.11Å; F25-M88 HydrophobicContact CB-CE 3.78Å; F25-M88 HydrophobicContact CD1-CE 3.91Å; F25-M88 HydrophobicContact CD2-CE 4.24Å; F25-M88 HydrophobicContact CG-CE 3.73Å; F25-I148 HydrophobicContact CD2-CD1 3.7Å; F25-I148 HydrophobicContact CE2-CD1 3.67Å; F25-I148 HydrophobicContact CZ-CD1 4.43Å; F25-A150 HydrophobicContact CB-CB 4.29Å; F25-F156 HydrophobicContact CB-CE2 4.48Å; F25-F156 AromaticContact CD2-CD2 3.54Å; F25-F156 HydrophobicContact CD2-CD2 3.54Å; F25-F156 AromaticContact CD2-CE2 3.25Å; F25-F156 HydrophobicContact CD2-CE2 3.25Å; F25-F156 HydrophobicContact CD2-CZ 4.21Å; F25-F156 AromaticContact CE2-CD2 3.49Å; F25-F156 HydrophobicContact CE2-CD2 3.49Å; F25-F156 VanDerWaalsContact CE2-CD2 3.49Å; F25-F156 AromaticContact CE2-CE2 3.65Å; F25-F156 HydrophobicContact CE2-CE2 3.65Å; F25-F156 HydrophobicContact CE2-CG 4.25Å; F25-F156 HydrophobicContact CG-CE2 4.07Å; F25-F156 VanDerWaalsContact O-CZ 3.22Å; F25-F156 WeakPolarHBondContact O-CZ 3.24Å; F25-P159 HydrophobicContact CZ-CG 4.37Å; F25-F160 HydrophobicContact CD1-CZ 4.46Å; F25-F160 AromaticContact CE1-CE2 3.43Å; F25-F160 HydrophobicContact CE1-CE2 3.43Å; F25-F160 VanDerWaalsContact CE1-CE2 3.43Å; F25-F160 AromaticContact CE1-CZ 3.51Å; F25-F160 HydrophobicContact CE1-CZ 3.51Å; F25-F160 HydrophobicContact CE2-CE2 4.44Å; F25-F160 HydrophobicContact CZ-CD2 4.24Å; F25-F160 AromaticContact CZ-CE2 3.36Å; F25-F160 HydrophobicContact CZ-CE2 3.36Å; F25-F160 AromaticContact CZ-CZ 3.96Å; F25-F160 HydrophobicContact CZ-CZ 3.96Å
26	V	94	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-53.6	177.6	176.3	0	0	0	0	111.5	L14 K22 T23 R28 H29 I30 H47 V62	L14-V26 HydrophobicContact CD2-CG2 3.28Å; K22-V26 WeakPolarHBondContact O-CG2 3.13Å; K22-V26 PolarHBondContact O-N 3.43Å; T23-V26 PolarHBondContact O-N 2.82Å; V26-R28 PolarHBondContact O-N 3.3Å; V26-H29 WeakPolarHBondContact O-CB 3.49Å; V26-H29 PolarHBondContact O-N 3.05Å; V26-I30 HydrophobicContact CG1-CD1 4.13Å; V26-I30 PolarHBondContact O-N 3.18Å; V26-H47 HydrophobicContact CG1-CB 3.53Å; V26-V62 HydrophobicContact CG1-CG1 4.4Å; V26-V62 HydrophobicContact CG2-CG1 3.63Å
27	K	91.3	Very high	90.2	Very high	65 Å²	65	44.1 Å²	44.1	28%	0.283	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-38.1	-178.1	-74.9	-173.5	176.3	-176.8	0	111.9	T23 H29 I30 T31	T23-K27 HydrophobicContact CG2-CD 3.95Å; T23-K27 HydrophobicContact CG2-CG 4.21Å; T23-K27 WeakPolarHBondContact O-CB 3.36Å; T23-K27 WeakPolarHBondContact O-CG 3.5Å; T23-K27 PolarHBondContact O-N 3.22Å; K27-H29 VanDerWaalsContact C-N 3.3Å; K27-H29 PolarHBondContact O-N 3.5Å; K27-I30 WeakPolarHBondContact O-CA 3.29Å; K27-I30 WeakPolarHBondContact O-CB 3.49Å; K27-I30 PolarHBondContact O-N 3Å; K27-T31 PolarHBondContact O-N 2.87Å; K27-T31 PolarHBondContact O-OG1 3.2Å
28	R	90	Very high	89.7	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-26.7	178.2	-175	165	-153.8	174.3	-0.7	113.7	T24 V26 I30 G32 E33 A150 K151 N153 F156 P183	T24-R28 WeakPolarHBondContact O-CB 3.45Å; T24-R28 PolarHBondContact O-N 2.8Å; V26-R28 PolarHBondContact O-N 3.3Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-G32 PolarHBondContact NE-O 3.25Å; R28-G32 WeakPolarHBondContact O-CA 3.32Å; R28-G32 PolarHBondContact O-N 2.87Å; R28-E33 WeakPolarHBondContact CA-O 3.48Å; R28-E33 WeakPolarHBondContact CB-O 3.41Å; R28-A150 WeakPolarHBondContact CD-O 3.32Å; R28-A150 PolarHBondContact NH1-O 3.4Å; R28-K151 VanDerWaalsContact NH1-CA 3.33Å; R28-K151 PolarHBondContact NH1-O 3.42Å; R28-N153 WeakPolarHBondContact CD-OD1 3.39Å; R28-N153 PolarHBondContact NE-OD1 3.14Å; R28-F156 HydrophobicContact CB-CE1 4.42Å; R28-F156 HydrophobicContact CB-CE2 4.49Å; R28-F156 HydrophobicContact CB-CZ 3.69Å; R28-F156 HydrophobicContact CG-CE1 4.18Å; R28-F156 HydrophobicContact CG-CZ 3.79Å; R28-P183 PolarHBondContact NH2-O 3.27Å
29	H	88.3	Confident	89.4	Confident	18 Å²	18	53 Å²	53	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-25.3	167.8	-79	87.3	0	0	0	113	F25 V26 K27 L49 F156 F160	F25-H29 AromaticContact CE2-CE1 3.73Å; F25-H29 AromaticContact CZ-CE1 3.7Å; F25-H29 PolarHBondContact O-ND1 3.36Å; V26-H29 WeakPolarHBondContact O-CB 3.49Å; V26-H29 PolarHBondContact O-N 3.05Å; K27-H29 VanDerWaalsContact C-N 3.3Å; K27-H29 PolarHBondContact O-N 3.5Å; H29-L49 HydrophobicContact CB-CD1 3.78Å; H29-L49 HydrophobicContact CB-CD2 3.94Å; H29-F156 HydrophobicContact CB-CE1 4.35Å; H29-F156 AromaticContact CD2-CD1 3.89Å; H29-F156 AromaticContact CD2-CE1 3.62Å; H29-F156 AromaticContact CE1-CD1 3.08Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.23Å; H29-F156 AromaticContact CE1-CD2 3.75Å; H29-F156 AromaticContact CE1-CE1 2.9Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.47Å; H29-F156 AromaticContact CE1-CE2 3.55Å; H29-F156 AromaticContact CE1-CG 3.51Å; H29-F156 AromaticContact CE1-CZ 3.12Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.38Å; H29-F156 AromaticContact CG-CE1 3.45Å; H29-F156 VanDerWaalsContact CG-CE1 3.45Å; H29-F156 AromaticContact CG-CZ 3.84Å; H29-F156 AromaticContact ND1-CD1 3.74Å; H29-F156 AromaticContact ND1-CE1 3.03Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.24Å; H29-F156 AromaticContact ND1-CE2 3.78Å; H29-F156 AromaticContact ND1-CZ 3.02Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.34Å; H29-F156 AromaticContact NE2-CD1 3.2Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.38Å; H29-F156 AromaticContact NE2-CE1 3.32Å; H29-F156 VanDerWaalsContact NE2-CE1 3.32Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.32Å; H29-F156 AromaticContact NE2-CG 3.88Å; H29-F156 PolarHBondContact NE2-O 3.28Å; H29-F160 AromaticContact CD2-CE2 3.9Å; H29-F160 AromaticContact CE1-CE2 3.25Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.05Å; H29-F160 AromaticContact ND1-CE2 3.8Å; H29-F160 AromaticContact NE2-CD2 3.61Å; H29-F160 AromaticContact NE2-CE2 3.28Å; H29-F160 VanDerWaalsContact NE2-CE2 3.28Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.38Å
30	I	86.3	Confident	89.1	Confident	82 Å²	82	53.3 Å²	53.3	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-86	-53.8	-178.1	-57.3	170	0	0	0	110.8	V26 K27 R28 H47 L49	V26-I30 HydrophobicContact CG1-CD1 4.13Å; V26-I30 PolarHBondContact O-N 3.18Å; K27-I30 WeakPolarHBondContact O-CA 3.29Å; K27-I30 WeakPolarHBondContact O-CB 3.49Å; K27-I30 PolarHBondContact O-N 3Å; R28-I30 VanDerWaalsContact C-N 3.29Å; I30-H47 HydrophobicContact CD1-CB 3.77Å; I30-H47 VanDerWaalsContact CD1-ND1 3.27Å; I30-H47 WeakPolarHBondContact CD1-ND1 2.95Å; I30-L49 HydrophobicContact CD1-CD2 4.14Å; I30-L49 HydrophobicContact CG1-CD2 3.32Å
31	T	83.9	Confident	88.6	Confident	74 Å²	74	53.8 Å²	53.8	45%	0.454	27%	0.267	S	S	.	.	H	α-helix	trans	-102.3	-14.4	-168.8	66.1	0	0	0	0	112.8	K27 E33	K27-T31 PolarHBondContact O-N 2.87Å; K27-T31 PolarHBondContact O-OG1 3.2Å; T31-E33 PolarHBondContact O-N 2.73Å; T31-E33 WeakPolarHBondContact OG1-CB 3.48Å; T31-E33 PolarHBondContact OG1-N 3.05Å; T31-E33 VanDerWaalsContact OG1-N 3.15Å
32	G	82.3	Confident	88.1	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	29%	0.292	C	S	.	.	S	Bend	trans	74.2	-13.2	-168.2	0	0	0	0	0	114	R28 Q182	R28-G32 PolarHBondContact NE-O 3.25Å; R28-G32 WeakPolarHBondContact O-CA 3.32Å; R28-G32 PolarHBondContact O-N 2.87Å; G32-Q182 WeakPolarHBondContact O-CB 3.49Å; G32-Q182 PolarHBondContact O-N 3.02Å
33	E	81.1	Confident	87.7	Confident	109 Å²	109	59.2 Å²	59.2	51%	0.509	30%	0.295	S	S	.	.			trans	-84	147.6	-174.2	-63.3	-179.6	170.9	0	0	112.5	R28 T31	R28-E33 WeakPolarHBondContact CA-O 3.48Å; R28-E33 WeakPolarHBondContact CB-O 3.41Å; T31-E33 PolarHBondContact O-N 2.73Å; T31-E33 WeakPolarHBondContact OG1-CB 3.48Å; T31-E33 PolarHBondContact OG1-N 3.05Å; T31-E33 VanDerWaalsContact OG1-N 3.15Å
34	F	82.2	Confident	87.5	Confident	47 Å²	47	60 Å²	60	21%	0.206	30%	0.3	C	S	.	.			trans	-93.3	114.1	172.6	-175.6	-104.6	0	0	0	111	T24 K36 A150 K151 E185	T24-F34 HydrophobicContact CG2-CD2 3.54Å; T24-F34 HydrophobicContact CG2-CE2 3.4Å; T24-F34 HydrophobicContact CG2-CG 4.47Å; T24-F34 HydrophobicContact CG2-CZ 4.23Å; F34-K36 HydrophobicContact CD1-CG 3.81Å; F34-K36 HydrophobicContact CE1-CG 4.04Å; F34-K36 PolarHBondContact O-N 3.34Å; F34-A150 WeakPolarHBondContact CD2-O 3.3Å; F34-K151 HydrophobicContact CD1-CG 4.35Å; F34-K151 HydrophobicContact CD2-CB 4.2Å; F34-K151 HydrophobicContact CD2-CG 4.24Å; F34-K151 HydrophobicContact CE1-CD 4.28Å; F34-K151 HydrophobicContact CE1-CG 4Å; F34-K151 HydrophobicContact CE2-CB 3.62Å; F34-K151 HydrophobicContact CE2-CG 3.86Å; F34-K151 HydrophobicContact CG-CG 4.46Å; F34-K151 HydrophobicContact CZ-CB 3.86Å; F34-K151 HydrophobicContact CZ-CD 4.12Å; F34-K151 HydrophobicContact CZ-CG 3.73Å; F34-E185 HydrophobicContact CB-CG 3.93Å; F34-E185 VanDerWaalsContact CD1-CD 3.44Å; F34-E185 HydrophobicContact CD1-CG 4.31Å; F34-E185 VanDerWaalsContact CD1-OE2 3.23Å; F34-E185 WeakPolarHBondContact CD1-OE2 3.26Å; F34-E185 HydrophobicContact CG-CG 4.34Å
35	E	82.8	Confident	87.5	Confident	82 Å²	82	62.3 Å²	62.3	38%	0.383	31%	0.309	S	S	.	.			trans	-74.9	106.2	173.8	-177.9	66	-108	0	0	110.3	T24 K37	T24-E35 HydrophobicContact CG2-CB 4.48Å; E35-K37 WeakPolarHBondContact CG-O 3.46Å; E35-K37 PolarHBondContact OE1-N 3.01Å
36	K	84	Confident	87.5	Confident	156 Å²	156	65.7 Å²	65.7	68%	0.678	33%	0.329	S	S	*	.			trans	-75.6	-31.3	178.6	-66.3	-178.8	-175.7	175.8	0	112.9	F34 E185	F34-K36 HydrophobicContact CD1-CG 3.81Å; F34-K36 HydrophobicContact CE1-CG 4.04Å; F34-K36 PolarHBondContact O-N 3.34Å; K36-E185 WeakPolarHBondContact CE-OE1 3.37Å; K36-E185 WeakPolarHBondContact CE-OE2 3.49Å; K36-E185 IonicContact NZ-OE1 2.73Å; K36-E185 PolarHBondContact NZ-OE1 3.31Å; K36-E185 IonicContact NZ-OE2 3.29Å
37	K	87.4	Confident	87.5	Confident	151 Å²	151	67 Å²	67	66%	0.657	34%	0.335	S	S	*	.	S	Bend	trans	-87.8	122.6	-174.1	-173.2	178.4	178.4	-179.2	0	109.8	E35 V39	E35-K37 WeakPolarHBondContact CG-O 3.46Å; E35-K37 PolarHBondContact OE1-N 3.01Å; K37-V39 HydrophobicContact CD-CG2 4.31Å; K37-V39 HydrophobicContact CG-CG2 4.24Å; K37-V39 PolarHBondContact O-N 3.42Å
38	Y	86.9	Confident	87.7	Confident	128 Å²	128	67.4 Å²	67.4	50%	0.502	34%	0.344	S	S	.	.			trans	-73.1	115	170.1	-179.1	-116.5	0	0	0	110.3	G19 A40 Q68	G19-Y38 PolarHBondContact N-OH 2.92Å; Y38-A40 HydrophobicContact CE1-CB 4.16Å; Y38-A40 WeakPolarHBondContact OH-CB 3.5Å; Y38-Q68 PolarHBondContact OH-NE2 3.13Å
39	V	88	Confident	87.9	Confident	99 Å²	99	67.6 Å²	67.6	60%	0.6	35%	0.346	S	S	*	.			trans	-118.7	121.2	165.4	-177.7	0	0	0	0	106.7	K37 T41	K37-V39 HydrophobicContact CD-CG2 4.31Å; K37-V39 HydrophobicContact CG-CG2 4.24Å; K37-V39 PolarHBondContact O-N 3.42Å; V39-T41 PolarHBondContact O-N 2.84Å
40	A	89.2	Confident	88.1	Confident	32 Å²	32	69.4 Å²	69.4	26%	0.264	36%	0.356	S	S	.	.			trans	-68.9	126.1	-178.7	0	0	0	0	0	110.5	Y38 L42 Q68	Y38-A40 HydrophobicContact CE1-CB 4.16Å; Y38-A40 WeakPolarHBondContact OH-CB 3.5Å; A40-L42 PolarHBondContact O-N 2.84Å; A40-Q68 HydrophobicContact CB-CG 4.47Å
41	T	85	Confident	88.5	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.067	34%	0.337	C	S	.	.			trans	-56.6	135.1	171	-38.5	0	0	0	0	110.1	T23 V39 E45 A66	T23-T41 PolarHBondContact OG1-OG1 3.08Å; V39-T41 PolarHBondContact O-N 2.84Å; T41-E45 HydrophobicContact CG2-CG 4.02Å; T41-A66 WeakPolarHBondContact O-CB 3.39Å
42	L	87	Confident	88.9	Confident	128 Å²	128	65.7 Å²	65.7	67%	0.67	33%	0.332	S	S	*	.			trans	-101.2	111.6	175.1	-60	179.2	0	0	0	108.5	A40 V44 F71	A40-L42 PolarHBondContact O-N 2.84Å; L42-V44 PolarHBondContact O-N 2.78Å; L42-F71 HydrophobicContact CD2-CE1 4.34Å; L42-F71 HydrophobicContact CD2-CE2 3.97Å; L42-F71 HydrophobicContact CD2-CZ 3.48Å; L42-F71 VanDerWaalsContact CD2-CZ 3.48Å
43	G	87.4	Confident	89.5	Confident	10 Å²	10	66 Å²	66	10%	0.103	33%	0.333	C	S	.	.	S	Bend	trans	69.2	-101.1	-177.1	0	0	0	0	0	112.6	A66 Y78	G43-A66 WeakPolarHBondContact O-CB 3.28Å; G43-A66 PolarHBondContact O-N 2.99Å; G43-Y78 VanDerWaalsContact CA-OH 3.27Å; G43-Y78 WeakPolarHBondContact CA-OH 3.08Å
44	V	91.3	Very high	90.2	Very high	38 Å²	38	63.8 Å²	63.8	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141.9	-179.3	68	0	0	0	0	111.4	L42 V46 W63 D64 T65 Y78	L42-V44 PolarHBondContact O-N 2.78Å; V44-V46 HydrophobicContact CG2-CG2 4.45Å; V44-W63 HydrophobicContact CG1-CE3 4.45Å; V44-W63 HydrophobicContact CG2-CB 3.91Å; V44-W63 HydrophobicContact CG2-CD2 4.33Å; V44-W63 HydrophobicContact CG2-CE3 3.9Å; V44-W63 HydrophobicContact CG2-CG 4.4Å; V44-D64 VanDerWaalsContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CA-O 3.35Å; V44-D64 WeakPolarHBondContact CG2-O 3.19Å; V44-T65 HydrophobicContact CG2-CG2 4.33Å; V44-Y78 HydrophobicContact CB-CD1 3.86Å; V44-Y78 HydrophobicContact CB-CD2 4.39Å; V44-Y78 HydrophobicContact CB-CE1 3.81Å; V44-Y78 HydrophobicContact CB-CE2 4.33Å; V44-Y78 HydrophobicContact CB-CG 4.18Å; V44-Y78 HydrophobicContact CG1-CD1 3.56Å; V44-Y78 HydrophobicContact CG1-CE1 3.3Å; V44-Y78 HydrophobicContact CG1-CG 4.37Å; V44-Y78 HydrophobicContact CG2-CD1 4.49Å
45	E	93.4	Very high	90.7	Very high	75 Å²	75	69.2 Å²	69.2	35%	0.35	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135	163.7	-67.2	-179	-170.5	0	0	109.4	T41 H47 D64	T41-E45 HydrophobicContact CG2-CG 4.02Å; E45-H47 VanDerWaalsContact CB-NE2 3.32Å; E45-H47 WeakPolarHBondContact CB-NE2 3.48Å; E45-H47 IonicContact OE2-CE1 3Å; E45-H47 IonicContact OE2-NE2 2.67Å; E45-H47 PolarHBondContact OE2-NE2 3Å; E45-H47 VanDerWaalsContact OE2-NE2 3.14Å; E45-D64 PolarHBondContact N-O 3.32Å; E45-D64 PolarHBondContact O-N 2.95Å
46	V	95.5	Very high	91.2	Very high	72 Å²	72	67 Å²	67	44%	0.436	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.3	-178.9	-175.4	0	0	0	0	110	V44 N61 V62 W63	V44-V46 HydrophobicContact CG2-CG2 4.45Å; V46-N61 HydrophobicContact CG1-CB 4.42Å; V46-V62 CarbonylContact C-O 3.57Å; V46-V62 WeakPolarHBondContact CA-O 3.47Å; V46-W63 HydrophobicContact CG2-CD2 3.89Å; V46-W63 HydrophobicContact CG2-CE3 4.43Å; V46-W63 HydrophobicContact CG2-CG 4.08Å; V46-W63 HydrophobicContact CG2-CZ2 4.29Å
47	H	95.1	Very high	91.7	Very high	27 Å²	27	63.2 Å²	63.2	13%	0.125	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.7	-174.2	-65	-78.5	0	0	0	110.8	V26 I30 E45 L49 V62	V26-H47 HydrophobicContact CG1-CB 3.53Å; I30-H47 HydrophobicContact CD1-CB 3.77Å; I30-H47 VanDerWaalsContact CD1-ND1 3.27Å; I30-H47 WeakPolarHBondContact CD1-ND1 2.95Å; E45-H47 VanDerWaalsContact CB-NE2 3.32Å; E45-H47 WeakPolarHBondContact CB-NE2 3.48Å; E45-H47 IonicContact OE2-CE1 3Å; E45-H47 IonicContact OE2-NE2 2.67Å; E45-H47 PolarHBondContact OE2-NE2 3Å; E45-H47 VanDerWaalsContact OE2-NE2 3.14Å; H47-L49 PolarHBondContact O-N 2.81Å; H47-V62 PolarHBondContact N-O 2.67Å; H47-V62 PolarHBondContact O-N 3.34Å
48	P	94.7	Very high	92	Very high	73 Å²	73	56.4 Å²	56.4	47%	0.474	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	117.4	172.3	30	-31.5	0	0	0	110.1
49	L	94.3	Very high	92.5	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.7	173.4	-60.8	-171.1	0	0	0	110	H29 I30 H47 F51 R59 F60 V62 F160	H29-L49 HydrophobicContact CB-CD1 3.78Å; H29-L49 HydrophobicContact CB-CD2 3.94Å; I30-L49 HydrophobicContact CD1-CD2 4.14Å; I30-L49 HydrophobicContact CG1-CD2 3.32Å; H47-L49 PolarHBondContact O-N 2.81Å; L49-F51 HydrophobicContact CB-CD2 4.47Å; L49-F51 HydrophobicContact CB-CE2 3.65Å; L49-F51 HydrophobicContact CB-CZ 4.28Å; L49-F51 HydrophobicContact CD1-CZ 4.49Å; L49-R59 CarbonylContact O-C 3.54Å; L49-R59 VanDerWaalsContact O-CA 3.29Å; L49-R59 WeakPolarHBondContact O-CA 3.46Å; L49-F60 PolarHBondContact N-O 3.43Å; L49-F60 PolarHBondContact O-N 3.42Å; L49-V62 HydrophobicContact CD1-CG2 3.68Å; L49-V62 HydrophobicContact CG-CG2 3.92Å; L49-F160 HydrophobicContact CD1-CE1 4Å; L49-F160 HydrophobicContact CD1-CZ 3.84Å
50	D	93	Very high	92.9	Very high	56 Å²	56	49.2 Å²	49.2	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.2	177.6	-75.5	-25.6	0	0	0	111.1	K57 R59	D50-K57 WeakPolarHBondContact OD2-CE 3.49Å; D50-K57 IonicContact OD2-NZ 2.82Å; D50-K57 PolarHBondContact OD2-NZ 3.31Å; D50-R59 VanDerWaalsContact CG-NH2 3.31Å; D50-R59 WeakPolarHBondContact OD1-CB 3.36Å; D50-R59 IonicContact OD1-CZ 2.68Å; D50-R59 VanDerWaalsContact OD1-CZ 3.25Å; D50-R59 IonicContact OD1-NE 3.73Å; D50-R59 PolarHBondContact OD1-NE 2.75Å; D50-R59 IonicContact OD1-NH2 3.47Å; D50-R59 PolarHBondContact OD1-NH2 3.36Å; D50-R59 IonicContact OD2-CZ 3.6Å; D50-R59 IonicContact OD2-NE 3.58Å; D50-R59 IonicContact OD2-NH2 2.73Å; D50-R59 PolarHBondContact OD2-NH2 2.99Å
51	F	93.6	Very high	93.3	Very high	7 Å²	7	50.1 Å²	50.1	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.3	175.7	-62.6	-97.6	0	0	0	109.4	L49 M58 F60 F160 F164 F175 P179	L49-F51 HydrophobicContact CB-CD2 4.47Å; L49-F51 HydrophobicContact CB-CE2 3.65Å; L49-F51 HydrophobicContact CB-CZ 4.28Å; L49-F51 HydrophobicContact CD1-CZ 4.49Å; F51-M58 PolarHBondContact N-O 3.5Å; F51-M58 PolarHBondContact O-N 3.01Å; F51-F60 HydrophobicContact CD2-CD2 4.23Å; F51-F60 AromaticContact CE2-CD2 3.88Å; F51-F60 HydrophobicContact CE2-CD2 3.88Å; F51-F160 HydrophobicContact CE1-CB 3.96Å; F51-F160 HydrophobicContact CE1-CD2 4.21Å; F51-F160 HydrophobicContact CE1-CG 4.02Å; F51-F160 HydrophobicContact CE2-CB 4.41Å; F51-F160 AromaticContact CE2-CD1 3.97Å; F51-F160 HydrophobicContact CE2-CD1 3.97Å; F51-F160 HydrophobicContact CE2-CE1 4.41Å; F51-F160 HydrophobicContact CE2-CG 4.17Å; F51-F160 HydrophobicContact CZ-CB 3.82Å; F51-F160 AromaticContact CZ-CD1 3.68Å; F51-F160 HydrophobicContact CZ-CD1 3.68Å; F51-F160 AromaticContact CZ-CD2 3.82Å; F51-F160 HydrophobicContact CZ-CD2 3.82Å; F51-F160 HydrophobicContact CZ-CE1 4.12Å; F51-F160 HydrophobicContact CZ-CE2 4.28Å; F51-F160 AromaticContact CZ-CG 3.48Å; F51-F160 HydrophobicContact CZ-CG 3.48Å; F51-F160 VanDerWaalsContact CZ-CG 3.48Å; F51-F160 HydrophobicContact CZ-CZ 4.4Å; F51-F164 HydrophobicContact CB-CE2 3.7Å; F51-F164 HydrophobicContact CB-CZ 4.25Å; F51-F164 HydrophobicContact CD1-CE2 4.45Å; F51-F164 AromaticContact CD2-CE2 3.55Å; F51-F164 HydrophobicContact CD2-CE2 3.55Å; F51-F164 AromaticContact CD2-CZ 3.81Å; F51-F164 HydrophobicContact CD2-CZ 3.81Å; F51-F164 HydrophobicContact CE2-CE2 4.27Å; F51-F164 AromaticContact CG-CE2 3.66Å; F51-F164 HydrophobicContact CG-CE2 3.66Å; F51-F164 HydrophobicContact CG-CZ 4.28Å; F51-F175 HydrophobicContact CB-CD1 4.14Å; F51-F175 HydrophobicContact CB-CE1 3.74Å; F51-F175 HydrophobicContact CB-CZ 4.46Å; F51-F175 HydrophobicContact CD1-CD1 4.3Å; F51-F175 AromaticContact CD1-CE1 3.7Å; F51-F175 HydrophobicContact CD1-CE1 3.7Å; F51-F175 HydrophobicContact CD1-CE2 4.12Å; F51-F175 AromaticContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CE1-CE2 4.44Å; F51-F175 HydrophobicContact CE1-CZ 4.1Å; F51-F175 AromaticContact CG-CE1 3.96Å; F51-F175 HydrophobicContact CG-CE1 3.96Å; F51-F175 HydrophobicContact CG-CZ 4.2Å; F51-P179 HydrophobicContact CD1-CG 4.44Å; F51-P179 HydrophobicContact CE1-CG 4.31Å
52	H	93.5	Very high	93.9	Very high	72 Å²	72	49.7 Å²	49.7	33%	0.333	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122	172.3	-63.3	117.9	0	0	0	109.2	F175 V176 E177	H52-F175 WeakPolarHBondContact O-CA 3.12Å; H52-V176 HydrophobicContact CB-CG2 3.69Å; H52-V176 WeakPolarHBondContact O-CG2 3.5Å; H52-V176 PolarHBondContact O-N 3.34Å; H52-E177 HydrophobicContact CB-CB 4.28Å; H52-E177 HydrophobicContact CB-CG 4.48Å; H52-E177 IonicContact CE1-OE2 2.61Å; H52-E177 IonicContact CG-OE2 3.16Å; H52-E177 IonicContact ND1-OE2 2.73Å; H52-E177 PolarHBondContact ND1-OE2 3.31Å
53	T	94.8	Very high	94.4	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	169.2	-176.4	77.3	0	0	0	0	111.4	R55 G56 M58 L173 E174 F175	T53-R55 PolarHBondContact O-N 3.21Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.19Å; T53-G56 PolarHBondContact N-O 2.9Å; T53-G56 PolarHBondContact O-N 3.47Å; T53-G56 PolarHBondContact OG1-N 2.93Å; T53-G56 PolarHBondContact OG1-O 3.36Å; T53-M58 HydrophobicContact CG2-CB 4.48Å; T53-M58 HydrophobicContact CG2-CG 4.25Å; T53-M58 HydrophobicContact CG2-SD 3.9Å; T53-L173 HydrophobicContact CG2-CD1 4.46Å; T53-L173 HydrophobicContact CG2-CD2 3.92Å; T53-L173 HydrophobicContact CG2-CG 4.39Å; T53-E174 CarbonylContact C-O 3.6Å; T53-E174 WeakPolarHBondContact CA-O 3.42Å; T53-E174 WeakPolarHBondContact CB-O 3.43Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.14Å
54	T	95	Very high	94.8	Very high	64 Å²	64	46.1 Å²	46.1	39%	0.393	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.8	168.4	52.8	0	0	0	0	113.6	E174 V176	T54-E174 HydrophobicContact CG2-CB 3.98Å; T54-E174 PolarHBondContact N-O 2.93Å; T54-E174 PolarHBondContact OG1-N 3.41Å; T54-V176 HydrophobicContact CG2-CG1 3.71Å
55	R	92.9	Very high	94.9	Very high	161 Å²	161	44.4 Å²	44.4	61%	0.608	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	12.8	174.9	-57.3	-57.3	-177.3	-164	-2.1	113.4	T53 D170 L173	T53-R55 PolarHBondContact O-N 3.21Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.19Å; R55-D170 IonicContact CZ-OD2 3.53Å; R55-D170 IonicContact NE-OD2 3.71Å; R55-D170 PolarHBondContact NE-OD2 2.62Å; R55-D170 IonicContact NH2-OD2 3.47Å; R55-D170 PolarHBondContact NH2-OD2 2.83Å; R55-L173 HydrophobicContact CB-CD1 4.5Å; R55-L173 HydrophobicContact CG-CD1 4.21Å
56	G	93	Very high	94.7	Very high	36 Å²	36	41 Å²	41	37%	0.371	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	97.3	-170	-178.7	0	0	0	0	0	113.3	T53	T53-G56 PolarHBondContact N-O 2.9Å; T53-G56 PolarHBondContact O-N 3.47Å; T53-G56 PolarHBondContact OG1-N 2.93Å; T53-G56 PolarHBondContact OG1-O 3.36Å
57	K	94.2	Very high	94.1	Very high	75 Å²	75	38 Å²	38	33%	0.326	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.5	-179	-173.6	175.5	178.8	174.5	0	110.7	V7 D50	V7-K57 HydrophobicContact CG1-CG 4.13Å; V7-K57 HydrophobicContact CG2-CB 4.5Å; V7-K57 HydrophobicContact CG2-CD 4.01Å; V7-K57 HydrophobicContact CG2-CG 4.23Å; D50-K57 WeakPolarHBondContact OD2-CE 3.49Å; D50-K57 IonicContact OD2-NZ 2.82Å; D50-K57 PolarHBondContact OD2-NZ 3.31Å
58	M	95.1	Very high	93.4	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154	177.9	-61.1	-178.8	70.8	0	0	110.3	A8 F10 F51 T53 F164 V168 L173	A8-M58 HydrophobicContact CB-CE 4.47Å; A8-M58 WeakPolarHBondContact O-CA 3.45Å; F10-M58 HydrophobicContact CD2-CE 4.42Å; F10-M58 HydrophobicContact CE2-CE 3.48Å; F10-M58 VanDerWaalsContact CE2-CE 3.48Å; F10-M58 HydrophobicContact CZ-CE 4.12Å; F51-M58 PolarHBondContact N-O 3.5Å; F51-M58 PolarHBondContact O-N 3.01Å; T53-M58 HydrophobicContact CG2-CB 4.48Å; T53-M58 HydrophobicContact CG2-CG 4.25Å; T53-M58 HydrophobicContact CG2-SD 3.9Å; M58-F164 HydrophobicContact CB-CD1 4.28Å; M58-F164 HydrophobicContact CB-CE1 3.61Å; M58-F164 HydrophobicContact CB-CE2 4.48Å; M58-F164 HydrophobicContact CB-CZ 3.71Å; M58-F164 HydrophobicContact CE-CD1 3.36Å; M58-F164 HydrophobicContact CE-CE1 3.72Å; M58-F164 HydrophobicContact CE-CG 4.21Å; M58-F164 HydrophobicContact SD-CD1 4.01Å; M58-F164 HydrophobicContact SD-CE1 4.3Å; M58-F164 HydrophobicContact SD-CG 4.4Å; M58-V168 HydrophobicContact CE-CG2 3.24Å; M58-V168 HydrophobicContact SD-CG2 4.07Å; M58-L173 HydrophobicContact SD-CD1 3.92Å
59	R	95.8	Very high	92.3	Very high	76 Å²	76	42.2 Å²	42.2	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.9	-176.1	178.3	172.6	-68.3	174.2	-1.1	112.3	V7 A8 A9 F10 L49 D50 N61	V7-R59 HydrophobicContact CG1-CB 3.9Å; A8-R59 PolarHBondContact O-N 3.48Å; A9-R59 CarbonylContact C-O 3.47Å; A9-R59 WeakPolarHBondContact CA-O 3.41Å; A9-R59 HydrophobicContact CB-CB 4.11Å; A9-R59 HydrophobicContact CB-CG 4.45Å; F10-R59 PolarHBondContact N-O 3.27Å; L49-R59 CarbonylContact O-C 3.54Å; L49-R59 VanDerWaalsContact O-CA 3.29Å; L49-R59 WeakPolarHBondContact O-CA 3.46Å; D50-R59 VanDerWaalsContact CG-NH2 3.31Å; D50-R59 WeakPolarHBondContact OD1-CB 3.36Å; D50-R59 IonicContact OD1-CZ 2.68Å; D50-R59 VanDerWaalsContact OD1-CZ 3.25Å; D50-R59 IonicContact OD1-NE 3.73Å; D50-R59 PolarHBondContact OD1-NE 2.75Å; D50-R59 IonicContact OD1-NH2 3.47Å; D50-R59 PolarHBondContact OD1-NH2 3.36Å; D50-R59 IonicContact OD2-CZ 3.6Å; D50-R59 IonicContact OD2-NE 3.58Å; D50-R59 IonicContact OD2-NH2 2.73Å; D50-R59 PolarHBondContact OD2-NH2 2.99Å; R59-N61 WeakPolarHBondContact CD-OD1 3.37Å
60	F	97.9	Very high	91.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.7	156.1	-73.2	-62.6	0	0	0	109.8	F10 L12 L49 F51 V62 C84 F160 L163 F164 L167	F10-F60 HydrophobicContact CB-CD1 3.82Å; F10-F60 HydrophobicContact CB-CE1 3.86Å; F10-F60 HydrophobicContact CG-CE1 4.45Å; F10-F60 CarbonylContact O-C 3.56Å; F10-F60 WeakPolarHBondContact O-CA 3.45Å; L12-F60 HydrophobicContact CB-CB 4.2Å; L12-F60 HydrophobicContact CB-CD1 3.82Å; L12-F60 HydrophobicContact CB-CG 4.22Å; L12-F60 HydrophobicContact CD1-CB 4.36Å; L12-F60 HydrophobicContact CD1-CD1 3.88Å; L12-F60 HydrophobicContact CD1-CD2 4.22Å; L12-F60 HydrophobicContact CD1-CE1 4.19Å; L12-F60 HydrophobicContact CD1-CE2 4.46Å; L12-F60 HydrophobicContact CD1-CG 3.9Å; L12-F60 HydrophobicContact CD1-CZ 4.46Å; L12-F60 HydrophobicContact CG-CD1 4.48Å; L49-F60 PolarHBondContact N-O 3.43Å; L49-F60 PolarHBondContact O-N 3.42Å; F51-F60 HydrophobicContact CD2-CD2 4.23Å; F51-F60 AromaticContact CE2-CD2 3.88Å; F51-F60 HydrophobicContact CE2-CD2 3.88Å; F60-V62 HydrophobicContact CB-CG2 3.9Å; F60-V62 PolarHBondContact O-N 2.93Å; F60-C84 WeakPolarHBondContact CE1-SG 3.33Å; F60-F160 HydrophobicContact CD2-CB 4.48Å; F60-F160 AromaticContact CD2-CD1 3.46Å; F60-F160 HydrophobicContact CD2-CD1 3.46Å; F60-F160 VanDerWaalsContact CD2-CD1 3.46Å; F60-F160 HydrophobicContact CD2-CE1 4.16Å; F60-F160 HydrophobicContact CD2-CG 4.42Å; F60-F160 HydrophobicContact CE2-CB 4.07Å; F60-F160 AromaticContact CE2-CD1 3.72Å; F60-F160 HydrophobicContact CE2-CD1 3.72Å; F60-F160 HydrophobicContact CE2-CG 4.4Å; F60-F160 HydrophobicContact CG-CD1 4.35Å; F60-L163 HydrophobicContact CE1-CB 4.48Å; F60-L163 HydrophobicContact CE2-CB 4.45Å; F60-L163 HydrophobicContact CZ-CB 3.74Å; F60-F164 HydrophobicContact CD1-CE1 4.36Å; F60-F164 HydrophobicContact CD2-CD2 4.45Å; F60-F164 AromaticContact CD2-CE1 3.83Å; F60-F164 HydrophobicContact CD2-CE1 3.83Å; F60-F164 AromaticContact CD2-CE2 3.68Å; F60-F164 HydrophobicContact CD2-CE2 3.68Å; F60-F164 AromaticContact CD2-CZ 3.32Å; F60-F164 HydrophobicContact CD2-CZ 3.32Å; F60-F164 HydrophobicContact CE1-CD1 4.21Å; F60-F164 AromaticContact CE1-CE1 3.92Å; F60-F164 HydrophobicContact CE1-CE1 3.92Å; F60-F164 HydrophobicContact CE1-CZ 4.41Å; F60-F164 AromaticContact CE2-CD1 3.71Å; F60-F164 HydrophobicContact CE2-CD1 3.71Å; F60-F164 AromaticContact CE2-CD2 3.56Å; F60-F164 HydrophobicContact CE2-CD2 3.56Å; F60-F164 AromaticContact CE2-CE1 3.37Å; F60-F164 HydrophobicContact CE2-CE1 3.37Å; F60-F164 AromaticContact CE2-CE2 3.22Å; F60-F164 HydrophobicContact CE2-CE2 3.22Å; F60-F164 AromaticContact CE2-CG 3.81Å; F60-F164 HydrophobicContact CE2-CG 3.81Å; F60-F164 AromaticContact CE2-CZ 3.13Å; F60-F164 HydrophobicContact CE2-CZ 3.13Å; F60-F164 HydrophobicContact CG-CE1 4.32Å; F60-F164 HydrophobicContact CG-CZ 4.1Å; F60-F164 AromaticContact CZ-CD1 3.47Å; F60-F164 HydrophobicContact CZ-CD1 3.47Å; F60-F164 VanDerWaalsContact CZ-CD1 3.47Å; F60-F164 HydrophobicContact CZ-CD2 4.08Å; F60-F164 AromaticContact CZ-CE1 3.41Å; F60-F164 HydrophobicContact CZ-CE1 3.41Å; F60-F164 VanDerWaalsContact CZ-CE1 3.41Å; F60-F164 HydrophobicContact CZ-CE2 4.04Å; F60-F164 AromaticContact CZ-CG 3.83Å; F60-F164 HydrophobicContact CZ-CG 3.83Å; F60-F164 AromaticContact CZ-CZ 3.73Å; F60-F164 HydrophobicContact CZ-CZ 3.73Å; F60-L167 HydrophobicContact CE1-CD1 3.59Å; F60-L167 HydrophobicContact CZ-CD1 3.97Å
61	N	97.5	Very high	90	Very high	52 Å²	52	49.6 Å²	49.6	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	96.8	160.4	-66	-41.1	0	0	0	106.1	F10 L12 V46 R59	F10-N61 PolarHBondContact O-N 2.97Å; L12-N61 PolarHBondContact N-O 3.05Å; V46-N61 HydrophobicContact CG1-CB 4.42Å; R59-N61 WeakPolarHBondContact CD-OD1 3.37Å
62	V	97.8	Very high	88.6	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	117.6	-177	-178.2	0	0	0	0	109.5	L12 L14 V26 V46 H47 L49 F60 D64 F160	L12-V62 HydrophobicContact CB-CG2 4.33Å; L12-V62 HydrophobicContact CD2-CG1 3.93Å; L12-V62 HydrophobicContact CD2-CG2 4.28Å; L12-V62 CarbonylContact O-C 3.6Å; L12-V62 WeakPolarHBondContact O-CA 3.34Å; L14-V62 HydrophobicContact CB-CG1 4.03Å; L14-V62 HydrophobicContact CD2-CG1 4.29Å; V26-V62 HydrophobicContact CG1-CG1 4.4Å; V26-V62 HydrophobicContact CG2-CG1 3.63Å; V46-V62 CarbonylContact C-O 3.57Å; V46-V62 WeakPolarHBondContact CA-O 3.47Å; H47-V62 PolarHBondContact N-O 2.67Å; H47-V62 PolarHBondContact O-N 3.34Å; L49-V62 HydrophobicContact CD1-CG2 3.68Å; L49-V62 HydrophobicContact CG-CG2 3.92Å; F60-V62 HydrophobicContact CB-CG2 3.9Å; F60-V62 PolarHBondContact O-N 2.93Å; V62-D64 PolarHBondContact O-N 3.36Å; V62-F160 HydrophobicContact CG2-CE1 4.29Å
63	W	96.8	Very high	87.3	Confident	64 Å²	64	51 Å²	51	24%	0.242	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	92.6	173.2	-72.1	50.8	0	0	0	107.3	K11 L12 L14 V44 V46 T65 Y78	K11-W63 HydrophobicContact CD-CD2 4.33Å; K11-W63 HydrophobicContact CD-CZ2 4.26Å; K11-W63 VanDerWaalsContact CE-CD2 3.48Å; K11-W63 VanDerWaalsContact CE-CE2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.37Å; L12-W63 PolarHBondContact O-N 3Å; L14-W63 PolarHBondContact N-O 2.97Å; V44-W63 HydrophobicContact CG1-CE3 4.45Å; V44-W63 HydrophobicContact CG2-CB 3.91Å; V44-W63 HydrophobicContact CG2-CD2 4.33Å; V44-W63 HydrophobicContact CG2-CE3 3.9Å; V44-W63 HydrophobicContact CG2-CG 4.4Å; V46-W63 HydrophobicContact CG2-CD2 3.89Å; V46-W63 HydrophobicContact CG2-CE3 4.43Å; V46-W63 HydrophobicContact CG2-CG 4.08Å; V46-W63 HydrophobicContact CG2-CZ2 4.29Å; W63-T65 PolarHBondContact O-N 3.2Å; W63-Y78 HydrophobicContact CE3-CD1 4.29Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å
64	D	95.5	Very high	86.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	106.8	174.4	179.4	30.9	0	0	0	109.2	K22 T23 V44 E45 V62	K22-D64 VanDerWaalsContact CB-OD1 3.32Å; K22-D64 WeakPolarHBondContact CB-OD1 3.27Å; T23-D64 VanDerWaalsContact CA-OD2 3.25Å; T23-D64 WeakPolarHBondContact CA-OD2 3.24Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.45Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.49Å; T23-D64 PolarHBondContact OG1-OD2 3.45Å; V44-D64 VanDerWaalsContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CA-O 3.35Å; V44-D64 WeakPolarHBondContact CG2-O 3.19Å; E45-D64 PolarHBondContact N-O 3.32Å; E45-D64 PolarHBondContact O-N 2.95Å; V62-D64 PolarHBondContact O-N 3.36Å
65	T	92.6	Very high	85.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	149.6	-174	66.4	0	0	0	0	112.5	V13 L14 V15 K22 V44 W63 G67 Y78	V13-T65 HydrophobicContact CG1-CG2 4.19Å; L14-T65 WeakPolarHBondContact O-CB 3.42Å; L14-T65 PolarHBondContact O-N 3.34Å; L14-T65 PolarHBondContact O-OG1 3.29Å; V15-T65 HydrophobicContact CG1-CG2 4.43Å; K22-T65 WeakPolarHBondContact CE-O 3.39Å; V44-T65 HydrophobicContact CG2-CG2 4.33Å; W63-T65 PolarHBondContact O-N 3.2Å; T65-G67 PolarHBondContact O-N 3.14Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å
66	A	89.7	Confident	84.7	Confident	5 Å²	5	49.2 Å²	49.2	4%	0.041	27%	0.268	C	S	.	.			trans	-63.2	125.7	171.1	0	0	0	0	0	111.2	T41 G43 Q68 F71	T41-A66 WeakPolarHBondContact O-CB 3.39Å; G43-A66 WeakPolarHBondContact O-CB 3.28Å; G43-A66 PolarHBondContact O-N 2.99Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; A66-F71 HydrophobicContact CB-CB 4.07Å; A66-F71 HydrophobicContact CB-CD2 3.69Å; A66-F71 HydrophobicContact CB-CG 4.17Å
67	G	83	Confident	84.6	Confident	8 Å²	8	49.6 Å²	49.6	8%	0.082	27%	0.271	C	S	.	.			trans	-88	4.7	177.9	0	0	0	0	0	114.9	G16 D17 G18 T65	G16-G67 WeakPolarHBondContact O-CA 3.32Å; D17-G67 CarbonylContact C-O 3.56Å; G18-G67 PolarHBondContact N-O 3.06Å; T65-G67 PolarHBondContact O-N 3.14Å
68	Q	80.3	Confident	84.5	Confident	63 Å²	63	48 Å²	48	29%	0.294	26%	0.263	S	S	.	.			trans	-89.4	135.1	-176.9	-58.2	-69.1	-28.7	0	0	109.8	Y38 A40 A66 K70 F71 R75	Y38-Q68 PolarHBondContact OH-NE2 3.13Å; A40-Q68 HydrophobicContact CB-CG 4.47Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-K70 HydrophobicContact CB-CG 4.01Å; Q68-K70 PolarHBondContact O-N 2.93Å; Q68-F71 HydrophobicContact CB-CD2 3.82Å; Q68-F71 HydrophobicContact CB-CE2 4.16Å; Q68-F71 HydrophobicContact CG-CE2 4.49Å; Q68-F71 PolarHBondContact O-N 3.45Å; Q68-R75 PolarHBondContact O-NH2 3.06Å
69	E	72.7	Confident	84.5	Confident	125 Å²	125	47.6 Å²	47.6	58%	0.584	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-58	-33.9	-178.9	-72.4	-54.6	117.3	0	0	113.3	F71 G72 R75	E69-F71 PolarHBondContact O-N 3.32Å; E69-G72 PolarHBondContact O-N 3.13Å; E69-R75 IonicContact OE1-CZ 3.14Å; E69-R75 IonicContact OE1-NH1 3.7Å; E69-R75 PolarHBondContact OE1-NH1 3.43Å; E69-R75 IonicContact OE1-NH2 3.93Å; E69-R75 PolarHBondContact OE1-NH2 3.13Å; E69-R75 IonicContact OE2-NH1 3.21Å; E69-R75 IonicContact OE2-NH2 3.81Å
70	K	73	Confident	84.4	Confident	164 Å²	164	48.4 Å²	48.4	71%	0.713	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-58.9	-16.3	176.2	65.2	-179.3	177.9	177.7	0	114.7	Q68	Q68-K70 HydrophobicContact CB-CG 4.01Å; Q68-K70 PolarHBondContact O-N 2.93Å
71	F	65.9	Low	84.2	Confident	53 Å²	53	56.1 Å²	56.1	23%	0.232	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-104.5	10.3	175.2	-56.3	-60.6	0	0	0	112.9	L42 A66 Q68 E69 G73 L74	L42-F71 HydrophobicContact CD2-CE1 4.34Å; L42-F71 HydrophobicContact CD2-CE2 3.97Å; L42-F71 HydrophobicContact CD2-CZ 3.48Å; L42-F71 VanDerWaalsContact CD2-CZ 3.48Å; A66-F71 HydrophobicContact CB-CB 4.07Å; A66-F71 HydrophobicContact CB-CD2 3.69Å; A66-F71 HydrophobicContact CB-CG 4.17Å; Q68-F71 HydrophobicContact CB-CD2 3.82Å; Q68-F71 HydrophobicContact CB-CE2 4.16Å; Q68-F71 HydrophobicContact CG-CE2 4.49Å; Q68-F71 PolarHBondContact O-N 3.45Å; E69-F71 PolarHBondContact O-N 3.32Å; F71-G73 VanDerWaalsContact C-N 3.29Å; F71-G73 PolarHBondContact O-N 2.87Å; F71-L74 PolarHBondContact O-N 3.03Å
72	G	63.6	Low	84.2	Confident	24 Å²	24	54 Å²	54	25%	0.247	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.1	-35.7	-176.6	0	0	0	0	0	114.8	E69 L74 R75	E69-G72 PolarHBondContact O-N 3.13Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-L74 VanDerWaalsContact O-N 3.13Å; G72-R75 WeakPolarHBondContact O-CB 3.37Å; G72-R75 VanDerWaalsContact O-CG 3.31Å; G72-R75 WeakPolarHBondContact O-CG 3.45Å; G72-R75 PolarHBondContact O-N 3.32Å; G72-R75 VanDerWaalsContact O-N 3.14Å
73	G	65.3	Low	84.2	Confident	84 Å²	84	61 Å²	61	87%	0.866	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.9	-174.5	0	0	0	0	0	115.8	F71	F71-G73 VanDerWaalsContact C-N 3.29Å; F71-G73 PolarHBondContact O-N 2.87Å
74	L	70.8	Confident	84.3	Confident	113 Å²	113	58 Å²	58	59%	0.592	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-100.4	-2.8	178.7	-64.6	175.5	0	0	0	113.5	F71 G72 D76 G77 Y78	F71-L74 PolarHBondContact O-N 3.03Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-L74 VanDerWaalsContact O-N 3.13Å; L74-D76 PolarHBondContact O-N 3.33Å; L74-G77 PolarHBondContact O-N 3.41Å; L74-Y78 HydrophobicContact CB-CE2 3.88Å; L74-Y78 WeakPolarHBondContact O-CD2 3.4Å
75	R	76.9	Confident	84.4	Confident	17 Å²	17	58 Å²	58	6%	0.064	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-44.7	-168.9	-74.7	177.9	-176.4	169.1	6	113.3	Q68 E69 G72 G77 Y78 Y79 W103	Q68-R75 PolarHBondContact O-NH2 3.06Å; E69-R75 IonicContact OE1-CZ 3.14Å; E69-R75 IonicContact OE1-NH1 3.7Å; E69-R75 PolarHBondContact OE1-NH1 3.43Å; E69-R75 IonicContact OE1-NH2 3.93Å; E69-R75 PolarHBondContact OE1-NH2 3.13Å; E69-R75 IonicContact OE2-NH1 3.21Å; E69-R75 IonicContact OE2-NH2 3.81Å; G72-R75 WeakPolarHBondContact O-CB 3.37Å; G72-R75 VanDerWaalsContact O-CG 3.31Å; G72-R75 WeakPolarHBondContact O-CG 3.45Å; G72-R75 PolarHBondContact O-N 3.32Å; G72-R75 VanDerWaalsContact O-N 3.14Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.31Å; R75-Y78 WeakPolarHBondContact O-CB 3.12Å; R75-Y78 PolarHBondContact O-N 3.33Å; R75-Y79 HydrophobicContact CB-CE2 4.12Å; R75-Y79 WeakPolarHBondContact O-CD1 3.25Å; R75-Y79 PolarHBondContact O-N 3.48Å; R75-W103 VanDerWaalsContact NE-CH2 3.31Å; R75-W103 VanDerWaalsContact NH2-CH2 3.31Å
76	D	82.4	Confident	84.7	Confident	65 Å²	65	57.9 Å²	57.9	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-39.6	-177	-71.9	2	0	0	0	112.2	L74 Y78 Y79 I80 R109 V110	L74-D76 PolarHBondContact O-N 3.33Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 3.23Å; D76-Y79 PolarHBondContact O-N 2.84Å; D76-I80 PolarHBondContact O-N 2.8Å; D76-R109 IonicContact OD1-CZ 2.81Å; D76-R109 IonicContact OD1-NE 3.79Å; D76-R109 IonicContact OD1-NH2 3.66Å; D76-R109 PolarHBondContact OD1-NH2 3.28Å; D76-R109 IonicContact OD2-CZ 2.75Å; D76-R109 IonicContact OD2-NE 3.91Å; D76-R109 IonicContact OD2-NH2 2.8Å; D76-R109 PolarHBondContact OD2-NH2 3.06Å; D76-V110 HydrophobicContact CB-CG2 4.03Å
77	G	90.2	Very high	85.1	Confident	43 Å²	43	57.7 Å²	57.7	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-33.8	177.8	0	0	0	0	0	112.8	L74 R75 Y79	L74-G77 PolarHBondContact O-N 3.41Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.31Å; G77-Y79 VanDerWaalsContact C-N 3.3Å; G77-Y79 PolarHBondContact O-N 3.33Å
78	Y	92	Very high	85.9	Confident	41 Å²	41	57.3 Å²	57.3	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-72.1	-25.5	176.1	-57	-42	0	0	0	112.7	K11 G43 V44 W63 T65 L74 R75 D76	K11-Y78 WeakPolarHBondContact CE-O 2.9Å; K11-Y78 PolarHBondContact NZ-O 3.45Å; G43-Y78 VanDerWaalsContact CA-OH 3.27Å; G43-Y78 WeakPolarHBondContact CA-OH 3.08Å; V44-Y78 HydrophobicContact CB-CD1 3.86Å; V44-Y78 HydrophobicContact CB-CD2 4.39Å; V44-Y78 HydrophobicContact CB-CE1 3.81Å; V44-Y78 HydrophobicContact CB-CE2 4.33Å; V44-Y78 HydrophobicContact CB-CG 4.18Å; V44-Y78 HydrophobicContact CG1-CD1 3.56Å; V44-Y78 HydrophobicContact CG1-CE1 3.3Å; V44-Y78 HydrophobicContact CG1-CG 4.37Å; V44-Y78 HydrophobicContact CG2-CD1 4.49Å; W63-Y78 HydrophobicContact CE3-CD1 4.29Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å; L74-Y78 HydrophobicContact CB-CE2 3.88Å; L74-Y78 WeakPolarHBondContact O-CD2 3.4Å; R75-Y78 WeakPolarHBondContact O-CB 3.12Å; R75-Y78 PolarHBondContact O-N 3.33Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 3.23Å
79	Y	94.1	Very high	86.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-79.9	-30.8	-177.9	-57.1	-20.2	0	0	0	113	V13 V15 R75 D76 G77 Q81 G82 D106 L107 V110 C111	V13-Y79 HydrophobicContact CG1-CD1 3.5Å; V13-Y79 HydrophobicContact CG1-CE1 3.73Å; V15-Y79 HydrophobicContact CG1-CD1 4.5Å; V15-Y79 HydrophobicContact CG1-CE1 3.53Å; R75-Y79 HydrophobicContact CB-CE2 4.12Å; R75-Y79 WeakPolarHBondContact O-CD1 3.25Å; R75-Y79 PolarHBondContact O-N 3.48Å; D76-Y79 PolarHBondContact O-N 2.84Å; G77-Y79 VanDerWaalsContact C-N 3.3Å; G77-Y79 PolarHBondContact O-N 3.33Å; Y79-Q81 PolarHBondContact O-N 2.87Å; Y79-G82 WeakPolarHBondContact O-CA 3.32Å; Y79-G82 PolarHBondContact O-N 2.99Å; Y79-D106 HydrophobicContact CE2-CB 4.15Å; Y79-L107 HydrophobicContact CD1-CD1 4.14Å; Y79-L107 HydrophobicContact CD2-CD1 4.49Å; Y79-L107 HydrophobicContact CE1-CD1 4.5Å; Y79-L107 HydrophobicContact CG-CD1 4.14Å; Y79-V110 HydrophobicContact CD2-CB 4.35Å; Y79-V110 HydrophobicContact CD2-CG2 4.07Å; Y79-C111 PolarHBondContact O-SG 2.96Å
80	I	94	Very high	88	Confident	93 Å²	93	48.9 Å²	48.9	48%	0.477	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	128.8	-177.3	-66.9	171.2	0	0	0	111.7	K11 D76 G82 V110	K11-I80 WeakPolarHBondContact CE-O 3.28Å; K11-I80 PolarHBondContact NZ-O 2.88Å; D76-I80 PolarHBondContact O-N 2.8Å; I80-G82 PolarHBondContact O-N 3.28Å; I80-V110 HydrophobicContact CG1-CG1 4.05Å
81	Q	94.9	Very high	89.2	Confident	163 Å²	163	41 Å²	41	76%	0.762	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	18.3	-177.8	-60.2	170.6	-5.3	0	0	115.3	Y79 R83	Y79-Q81 PolarHBondContact O-N 2.87Å; Q81-R83 PolarHBondContact O-N 3.41Å
82	G	97	Very high	90.7	Very high	7 Å²	7	40.3 Å²	40.3	7%	0.072	23%	0.232	C	C	.	.			trans	-54.4	132.3	166.7	0	0	0	0	0	110.4	Y79 I80 I114	Y79-G82 WeakPolarHBondContact O-CA 3.32Å; Y79-G82 PolarHBondContact O-N 2.99Å; I80-G82 PolarHBondContact O-N 3.28Å; G82-I114 WeakPolarHBondContact O-CG2 3.29Å
83	R	97.9	Very high	92.3	Very high	148 Å²	148	41 Å²	41	56%	0.558	23%	0.233	S	C	*	.			trans	-100.9	-25.1	177.2	-64.9	-64.4	-67	-147.1	-3.8	111.9	F10 K11 Q81 P115 L167	F10-R83 HydrophobicContact CB-CB 4.36Å; F10-R83 HydrophobicContact CD1-CB 4.38Å; K11-R83 PolarHBondContact O-N 2.84Å; Q81-R83 PolarHBondContact O-N 3.41Å; R83-P115 WeakPolarHBondContact O-CD 3.24Å; R83-L167 HydrophobicContact CB-CD2 4.27Å; R83-L167 WeakPolarHBondContact O-CD2 3.32Å
84	C	98.6	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	169.5	175.8	58.5	0	0	0	0	109.7	K11 L12 V13 F60 P115 L163 L167	K11-C84 PolarHBondContact O-N 3.21Å; L12-C84 WeakPolarHBondContact CA-O 3.39Å; V13-C84 PolarHBondContact N-O 2.94Å; F60-C84 WeakPolarHBondContact CE1-SG 3.33Å; C84-P115 VanDerWaalsContact CA-O 3.24Å; C84-P115 WeakPolarHBondContact CA-O 3.34Å; C84-P115 WeakPolarHBondContact CB-O 3.2Å; C84-L163 HydrophobicContact CB-CD1 4.3Å; C84-L163 HydrophobicContact CB-CD2 3.69Å; C84-L163 HydrophobicContact CB-CG 4.46Å; C84-L167 HydrophobicContact CB-CD1 4.06Å; C84-L167 HydrophobicContact CB-CD2 4.44Å
85	A	98.5	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.1	177	0	0	0	0	0	113.7	V13 L107 I114 P115 I116 V117	V13-A85 HydrophobicContact CB-CB 4.21Å; V13-A85 CarbonylContact O-C 3.59Å; V13-A85 WeakPolarHBondContact O-CA 3.37Å; V13-A85 VanDerWaalsContact O-CB 3.24Å; V13-A85 WeakPolarHBondContact O-CB 3.42Å; A85-L107 HydrophobicContact CB-CD1 4.12Å; A85-L107 HydrophobicContact CB-CD2 3.47Å; A85-L107 VanDerWaalsContact CB-CD2 3.47Å; A85-L107 HydrophobicContact CB-CG 4.42Å; A85-I114 HydrophobicContact CB-CD1 4.03Å; A85-P115 PolarHBondContact N-O 2.83Å; A85-I116 HydrophobicContact CB-CG1 4.22Å; A85-I116 WeakPolarHBondContact O-CA 3.13Å; A85-V117 PolarHBondContact O-N 3.33Å
86	I	98.7	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.7	167	-64.4	175.5	0	0	0	107.3	L12 V13 L14 V15 F25 V117 C119 P159 F160 L163	L12-I86 HydrophobicContact CD1-CD1 4.08Å; L12-I86 HydrophobicContact CD1-CG1 4.34Å; L12-I86 HydrophobicContact CD2-CB 4.45Å; L12-I86 HydrophobicContact CD2-CD1 4.18Å; L12-I86 HydrophobicContact CD2-CG1 4.16Å; V13-I86 PolarHBondContact O-N 3.43Å; L14-I86 HydrophobicContact CD1-CB 3.7Å; L14-I86 HydrophobicContact CD1-CG2 3.61Å; V15-I86 PolarHBondContact N-O 3.03Å; F25-I86 HydrophobicContact CE1-CD1 4.11Å; I86-V117 CarbonylContact C-O 3.56Å; I86-V117 VanDerWaalsContact CA-O 3.29Å; I86-V117 WeakPolarHBondContact CA-O 3.46Å; I86-V117 HydrophobicContact CG1-CB 4.37Å; I86-C119 HydrophobicContact CG2-CB 4.2Å; I86-P159 HydrophobicContact CD1-CB 3.84Å; I86-P159 HydrophobicContact CG1-CB 4.49Å; I86-F160 HydrophobicContact CD1-CE1 4.42Å; I86-F160 HydrophobicContact CD1-CZ 4.43Å; I86-L163 HydrophobicContact CD1-CD1 4.28Å; I86-L163 HydrophobicContact CG1-CD1 3.94Å
87	I	98.3	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.9	168.4	-51.9	-179.1	0	0	0	106.9	V15 V100 W103 H104 L107 I116 V117 L118 C119	V15-I87 HydrophobicContact CG2-CB 4.19Å; V15-I87 HydrophobicContact CG2-CG1 3.69Å; V15-I87 HydrophobicContact CG2-CG2 4.25Å; V15-I87 WeakPolarHBondContact O-CA 3.37Å; I87-V100 HydrophobicContact CG2-CG1 4.18Å; I87-V100 HydrophobicContact CG2-CG2 4.29Å; I87-W103 HydrophobicContact CG2-CB 4.12Å; I87-H104 HydrophobicContact CD1-CB 3.76Å; I87-L107 HydrophobicContact CD1-CD2 4.44Å; I87-I116 HydrophobicContact CD1-CG2 3.94Å; I87-I116 HydrophobicContact CG1-CG2 3.91Å; I87-V117 PolarHBondContact N-O 3.34Å; I87-L118 HydrophobicContact CB-CD1 4.11Å; I87-L118 HydrophobicContact CG2-CD1 4.15Å; I87-L118 CarbonylContact O-C 3.58Å; I87-L118 WeakPolarHBondContact O-CA 3.39Å; I87-C119 PolarHBondContact O-N 2.73Å
88	M	98.6	Very high	97.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.8	-178.1	-169.3	175.1	-66.9	0	0	111.2	L14 V15 G16 K22 F25 C119 N121 I148	L14-M88 HydrophobicContact CD1-CB 4.49Å; L14-M88 HydrophobicContact CD1-CE 4.24Å; V15-M88 PolarHBondContact O-N 2.94Å; G16-M88 WeakPolarHBondContact CA-O 3.3Å; K22-M88 HydrophobicContact CG-CB 3.99Å; K22-M88 HydrophobicContact CG-SD 4.06Å; K22-M88 PolarHBondContact N-SD 3.02Å; F25-M88 HydrophobicContact CB-CE 3.78Å; F25-M88 HydrophobicContact CD1-CE 3.91Å; F25-M88 HydrophobicContact CD2-CE 4.24Å; F25-M88 HydrophobicContact CG-CE 3.73Å; M88-C119 WeakPolarHBondContact CA-O 3.39Å; M88-N121 HydrophobicContact CG-CB 3.99Å; M88-N121 HydrophobicContact SD-CB 3.91Å; M88-I148 HydrophobicContact CE-CD1 3.84Å
89	F	98.7	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	170.2	165.8	72.9	-85.4	0	0	0	110.3	V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145	F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.45Å; F89-Y97 AromaticContact CD1-CD2 3.99Å; F89-Y97 HydrophobicContact CD1-CD2 3.99Å; F89-Y97 HydrophobicContact CD2-CD2 4.01Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CE2 4.32Å; F89-Y97 AromaticContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CG 4.36Å; F89-Y97 HydrophobicContact CG-CD2 4.05Å; F89-Y97 AromaticContact CZ-CD2 3.83Å; F89-Y97 HydrophobicContact CZ-CD2 3.83Å; F89-Y97 HydrophobicContact CZ-CE2 4.39Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.12Å; F89-V100 HydrophobicContact CG-CG2 4.33Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.98Å; F89-L118 HydrophobicContact CE1-CD2 4.15Å; F89-L118 HydrophobicContact CE1-CG 3.89Å; F89-C119 WeakPolarHBondContact CD1-O 3.03Å; F89-C119 PolarHBondContact N-O 2.75Å; F89-G120 VanDerWaalsContact CZ-CA 3.44Å; F89-N121 PolarHBondContact O-N 3.36Å; F89-V130 HydrophobicContact CE2-CB 4.2Å; F89-V130 HydrophobicContact CE2-CG1 3.91Å; F89-I135 HydrophobicContact CE2-CD1 4.39Å; F89-I135 HydrophobicContact CZ-CD1 3.85Å; F89-I135 HydrophobicContact CZ-CG1 4.21Å; F89-I135 HydrophobicContact CZ-CG2 4.43Å; F89-Y145 AromaticContact CE1-CE2 3.74Å; F89-Y145 HydrophobicContact CE1-CE2 3.74Å; F89-Y145 AromaticContact CZ-CE2 3.86Å; F89-Y145 HydrophobicContact CZ-CE2 3.86Å
90	D	98.2	Very high	97.5	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.1	179.1	-179.5	-14.6	0	0	0	109.5	T20 T92 S93 T96 K122	T20-D90 HydrophobicContact CG2-CB 4.34Å; D90-T92 PolarHBondContact O-N 2.73Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 WeakPolarHBondContact OD1-CA 3.37Å; D90-T92 WeakPolarHBondContact OD1-CB 3.17Å; D90-T92 PolarHBondContact OD1-N 2.96Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-T92 PolarHBondContact OD2-OG1 3.27Å; D90-S93 PolarHBondContact O-N 3.05Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 3.32Å; D90-T96 PolarHBondContact O-OG1 3.47Å; D90-K122 WeakPolarHBondContact OD2-CD 3.02Å; D90-K122 WeakPolarHBondContact OD2-CE 3.39Å; D90-K122 IonicContact OD2-NZ 2.86Å; D90-K122 PolarHBondContact OD2-NZ 2.79Å
91	V	98.1	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.1	-178.4	-55.4	0	0	0	0	113.3	F89 N121 V123 R128 K129 V130	F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.45Å; V91-N121 WeakPolarHBondContact CG2-O 3.41Å; V91-N121 PolarHBondContact N-O 3Å; V91-V123 HydrophobicContact CG1-CG1 3.94Å; V91-V123 HydrophobicContact CG2-CG1 4.05Å; V91-R128 HydrophobicContact CB-CG 4.02Å; V91-R128 HydrophobicContact CG2-CG 4Å; V91-K129 PolarHBondContact O-N 3.15Å; V91-V130 PolarHBondContact O-N 3.12Å
92	T	97.7	Very high	97.6	Very high	38 Å²	38	41 Å²	41	23%	0.233	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.2	175.2	72.7	0	0	0	0	112.9	D90 I125 K129	D90-T92 PolarHBondContact O-N 2.73Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 WeakPolarHBondContact OD1-CA 3.37Å; D90-T92 WeakPolarHBondContact OD1-CB 3.17Å; D90-T92 PolarHBondContact OD1-N 2.96Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-T92 PolarHBondContact OD2-OG1 3.27Å; T92-I125 HydrophobicContact CG2-CB 3.67Å; T92-I125 HydrophobicContact CG2-CD1 3.85Å; T92-I125 HydrophobicContact CG2-CG1 4.3Å; T92-I125 HydrophobicContact CG2-CG2 3.7Å; T92-K129 WeakPolarHBondContact O-CG 3.23Å
93	S	97.6	Very high	97.6	Very high	37 Å²	37	40.9 Å²	40.9	26%	0.259	19%	0.194	S	C	.	.			trans	-130.5	101.1	-174.8	-174.5	0	0	0	0	112.1	D90 V95 T96	D90-S93 PolarHBondContact O-N 3.05Å; S93-V95 PolarHBondContact O-N 3.34Å; S93-V95 VanDerWaalsContact OG-CG1 3.28Å; S93-V95 WeakPolarHBondContact OG-CG1 3.46Å; S93-T96 PolarHBondContact O-N 3.44Å; S93-T96 PolarHBondContact O-OG1 2.81Å
94	R	97.4	Very high	97.5	Very high	179 Å²	179	34.8 Å²	34.8	68%	0.675	17%	0.172	S	C	*	.	H	α-helix	trans	-55.9	-36.2	-178.2	-65	-173.6	178.9	-174.9	3.6	113.4	T96 Y97 K98 K129 V130	R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.45Å; R94-Y97 PolarHBondContact O-N 2.87Å; R94-K98 PolarHBondContact O-N 2.67Å; R94-K129 HydrophobicContact CG-CB 3.94Å; R94-K129 PolarHBondContact NE-O 2.91Å; R94-V130 HydrophobicContact CG-CG2 4.22Å
95	V	97.1	Very high	97.3	Very high	83 Å²	83	41 Å²	41	50%	0.503	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-37.3	179.5	61.9	0	0	0	0	111.8	S93 Y97 K98 N99	S93-V95 PolarHBondContact O-N 3.34Å; S93-V95 VanDerWaalsContact OG-CG1 3.28Å; S93-V95 WeakPolarHBondContact OG-CG1 3.46Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.38Å; V95-K98 PolarHBondContact O-N 3.21Å; V95-N99 PolarHBondContact O-N 2.48Å; V95-N99 PolarHBondContact O-ND2 2.97Å
96	T	98	Very high	97	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-33.3	-179.9	68.5	0	0	0	0	112.3	D17 T20 D90 S93 R94	D17-T96 HydrophobicContact CB-CG2 3.8Å; D17-T96 WeakPolarHBondContact OD2-CA 3.27Å; T20-T96 HydrophobicContact CG2-CG2 3.9Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 3.32Å; D90-T96 PolarHBondContact O-OG1 3.47Å; S93-T96 PolarHBondContact O-N 3.44Å; S93-T96 PolarHBondContact O-OG1 2.81Å; R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.45Å
97	Y	98.3	Very high	96.8	Very high	34 Å²	34	41.9 Å²	41.9	13%	0.133	20%	0.2	C	C	.	.	H	α-helix	trans	-74.3	-41.4	172.7	-177.5	-107.4	0	0	0	111.7	F89 R94 V95 N99 V100 L118 V130 S134 I135 T136 F137	F89-Y97 AromaticContact CD1-CD2 3.99Å; F89-Y97 HydrophobicContact CD1-CD2 3.99Å; F89-Y97 HydrophobicContact CD2-CD2 4.01Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CE2 4.32Å; F89-Y97 AromaticContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CG 4.36Å; F89-Y97 HydrophobicContact CG-CD2 4.05Å; F89-Y97 AromaticContact CZ-CD2 3.83Å; F89-Y97 HydrophobicContact CZ-CD2 3.83Å; F89-Y97 HydrophobicContact CZ-CE2 4.39Å; R94-Y97 PolarHBondContact O-N 2.87Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.38Å; Y97-N99 PolarHBondContact O-N 3.39Å; Y97-N99 VanDerWaalsContact O-N 3.15Å; Y97-V100 HydrophobicContact CD2-CG2 4.16Å; Y97-V100 VanDerWaalsContact O-CB 3.29Å; Y97-V100 WeakPolarHBondContact O-CB 3.32Å; Y97-V100 WeakPolarHBondContact O-CG2 3.44Å; Y97-V100 PolarHBondContact O-N 3.2Å; Y97-L118 HydrophobicContact CE2-CD2 4.34Å; Y97-V130 HydrophobicContact CD1-CG1 4.04Å; Y97-V130 HydrophobicContact CD2-CG1 4.35Å; Y97-V130 HydrophobicContact CG-CG1 3.87Å; Y97-S134 WeakPolarHBondContact CE1-O 3.49Å; Y97-S134 PolarHBondContact OH-O 3.21Å; Y97-I135 HydrophobicContact CE2-CB 4.37Å; Y97-I135 HydrophobicContact CE2-CG1 4.29Å; Y97-I135 HydrophobicContact CE2-CG2 3.92Å; Y97-I135 VanDerWaalsContact OH-CA 3.3Å; Y97-I135 WeakPolarHBondContact OH-CA 3.37Å; Y97-T136 PolarHBondContact OH-N 3.14Å; Y97-F137 HydrophobicContact CE2-CB 4.49Å; Y97-F137 WeakPolarHBondContact OH-CB 3.48Å; Y97-F137 PolarHBondContact OH-N 2.66Å; Y97-F137 VanDerWaalsContact OH-N 3.11Å
98	K	97	Very high	96.6	Very high	161 Å²	161	44.2 Å²	44.2	70%	0.7	21%	0.214	S	C	*	.	H	α-helix	trans	-56.9	-29.3	174.3	-174.8	173.4	-178.2	169.1	0	112.6	R94 V95 P101	R94-K98 PolarHBondContact O-N 2.67Å; V95-K98 PolarHBondContact O-N 3.21Å; K98-P101 WeakPolarHBondContact O-CD 3.34Å
99	N	96.4	Very high	96.4	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.9	178.4	-71.8	-23.5	0	0	0	114.5	D17 V95 Y97 P101 N102 W103	D17-N99 WeakPolarHBondContact OD1-CB 3.39Å; D17-N99 PolarHBondContact OD2-ND2 2.8Å; V95-N99 PolarHBondContact O-N 2.48Å; V95-N99 PolarHBondContact O-ND2 2.97Å; Y97-N99 PolarHBondContact O-N 3.39Å; Y97-N99 VanDerWaalsContact O-N 3.15Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; N99-P101 VanDerWaalsContact C-N 3.35Å; N99-N102 WeakPolarHBondContact O-CB 3.47Å; N99-N102 PolarHBondContact O-N 2.98Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 3.35Å
100	V	97.5	Very high	96.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-52.4	-44.2	178	167.6	0	0	0	0	112.9	I87 F89 Y97 N102 W103 H104 L118 F137	I87-V100 HydrophobicContact CG2-CG1 4.18Å; I87-V100 HydrophobicContact CG2-CG2 4.29Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.12Å; F89-V100 HydrophobicContact CG-CG2 4.33Å; Y97-V100 HydrophobicContact CD2-CG2 4.16Å; Y97-V100 VanDerWaalsContact O-CB 3.29Å; Y97-V100 WeakPolarHBondContact O-CB 3.32Å; Y97-V100 WeakPolarHBondContact O-CG2 3.44Å; Y97-V100 PolarHBondContact O-N 3.2Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.02Å; V100-W103 PolarHBondContact O-N 2.77Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 2.84Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.66Å; V100-L118 HydrophobicContact CG2-CD1 3.91Å; V100-F137 HydrophobicContact CG1-CD1 3.49Å; V100-F137 VanDerWaalsContact CG1-CD1 3.49Å; V100-F137 HydrophobicContact CG1-CE1 3.74Å; V100-F137 HydrophobicContact CG1-CG 4.12Å
101	P	96.5	Very high	96	Very high	53 Å²	53	53.4 Å²	53.4	34%	0.344	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-35.8	175.7	-25.6	34.5	0	0	0	114.1	K98 N99 R105 F137	K98-P101 WeakPolarHBondContact O-CD 3.34Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; N99-P101 VanDerWaalsContact C-N 3.35Å; P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.46Å; P101-R105 PolarHBondContact O-N 2.87Å; P101-F137 HydrophobicContact CB-CD2 4.35Å; P101-F137 HydrophobicContact CB-CE2 3.71Å; P101-F137 HydrophobicContact CB-CZ 4.21Å; P101-F137 HydrophobicContact CG-CD2 3.81Å; P101-F137 HydrophobicContact CG-CE2 3.68Å; P101-F137 HydrophobicContact CG-CZ 4.41Å
102	N	94.3	Very high	95.8	Very high	62 Å²	62	60.7 Å²	60.7	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-67.7	-49.4	177.8	-66.7	-40.1	0	0	0	110.9	N99 V100 H104 R105 D106	N99-N102 WeakPolarHBondContact O-CB 3.47Å; N99-N102 PolarHBondContact O-N 2.98Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.02Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.44Å; N102-R105 PolarHBondContact O-N 2.92Å; N102-R105 PolarHBondContact OD1-NH1 3.03Å; N102-R105 PolarHBondContact OD1-NH2 3.3Å; N102-D106 PolarHBondContact O-N 2.94Å
103	W	95.6	Very high	95.5	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-42.5	176.3	-71.6	107.6	0	0	0	112.4	V15 G16 D17 R75 I87 N99 V100 L107	V15-W103 HydrophobicContact CB-CD2 4.37Å; V15-W103 HydrophobicContact CB-CE3 3.74Å; V15-W103 HydrophobicContact CB-CZ3 4.14Å; V15-W103 HydrophobicContact CG1-CE3 4.39Å; V15-W103 HydrophobicContact CG2-CB 4.26Å; V15-W103 HydrophobicContact CG2-CE3 4.34Å; G16-W103 VanDerWaalsContact C-CE2 3.42Å; G16-W103 VanDerWaalsContact C-CZ2 3.45Å; G16-W103 WeakPolarHBondContact O-CZ2 3.36Å; D17-W103 PolarHBondContact OD1-NE1 3.49Å; R75-W103 VanDerWaalsContact NE-CH2 3.31Å; R75-W103 VanDerWaalsContact NH2-CH2 3.31Å; I87-W103 HydrophobicContact CG2-CB 4.12Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 3.35Å; V100-W103 PolarHBondContact O-N 2.77Å; W103-L107 VanDerWaalsContact O-CB 3.24Å; W103-L107 WeakPolarHBondContact O-CB 3.36Å; W103-L107 PolarHBondContact O-N 3.2Å
104	H	96	Very high	95.5	Very high	19 Å²	19	66.1 Å²	66.1	9%	0.088	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-49.3	176	175.5	-81.5	0	0	0	111.5	I87 V100 N102 D106 L107 V108 F137	I87-H104 HydrophobicContact CD1-CB 3.76Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 2.84Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.44Å; H104-D106 VanDerWaalsContact C-N 3.33Å; H104-D106 PolarHBondContact O-N 3.39Å; H104-L107 PolarHBondContact O-N 2.89Å; H104-V108 WeakPolarHBondContact O-CG1 3.26Å; H104-V108 WeakPolarHBondContact O-CG2 3.43Å; H104-V108 PolarHBondContact O-N 3.38Å; H104-F137 HydrophobicContact CB-CE1 3.68Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.72Å; H104-F137 AromaticContact CG-CZ 3.6Å; H104-F137 AromaticContact ND1-CZ 3.93Å
105	R	93.9	Very high	95.6	Very high	131 Å²	131	59 Å²	59	49%	0.494	29%	0.29	S	S	.	.	H	α-helix	trans	-55.3	-49	178.7	177.9	-165.9	64.5	-137	-8.4	111.3	P101 N102 L107 R109	P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.46Å; P101-R105 PolarHBondContact O-N 2.87Å; N102-R105 PolarHBondContact O-N 2.92Å; N102-R105 PolarHBondContact OD1-NH1 3.03Å; N102-R105 PolarHBondContact OD1-NH2 3.3Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 2.98Å; R105-R109 WeakPolarHBondContact O-CB 3.43Å; R105-R109 PolarHBondContact O-N 2.58Å; R105-R109 VanDerWaalsContact O-N 3.09Å
106	D	93	Very high	95.6	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.102	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-37.3	-176.6	-60.5	-9.1	0	0	0	110.9	Y79 N102 H104	Y79-D106 HydrophobicContact CE2-CB 4.15Å; N102-D106 PolarHBondContact O-N 2.94Å; H104-D106 VanDerWaalsContact C-N 3.33Å; H104-D106 PolarHBondContact O-N 3.39Å
107	L	94.5	Very high	95.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-51.9	175.4	179.7	72.2	0	0	0	112.2	V13 Y79 A85 I87 W103 H104 R105 R109 V110 C111 I114 I116	V13-L107 HydrophobicContact CB-CD1 4.32Å; V13-L107 HydrophobicContact CG1-CD1 4.38Å; Y79-L107 HydrophobicContact CD1-CD1 4.14Å; Y79-L107 HydrophobicContact CD2-CD1 4.49Å; Y79-L107 HydrophobicContact CE1-CD1 4.5Å; Y79-L107 HydrophobicContact CG-CD1 4.14Å; A85-L107 HydrophobicContact CB-CD1 4.12Å; A85-L107 HydrophobicContact CB-CD2 3.47Å; A85-L107 VanDerWaalsContact CB-CD2 3.47Å; A85-L107 HydrophobicContact CB-CG 4.42Å; I87-L107 HydrophobicContact CD1-CD2 4.44Å; W103-L107 VanDerWaalsContact O-CB 3.24Å; W103-L107 WeakPolarHBondContact O-CB 3.36Å; W103-L107 PolarHBondContact O-N 3.2Å; H104-L107 PolarHBondContact O-N 2.89Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 2.98Å; L107-R109 VanDerWaalsContact C-N 3.25Å; L107-R109 PolarHBondContact O-N 3.1Å; L107-V110 PolarHBondContact O-N 3.14Å; L107-V110 VanDerWaalsContact O-N 3.09Å; L107-C111 PolarHBondContact O-N 2.98Å; L107-I114 HydrophobicContact CD1-CD1 4.34Å; L107-I114 HydrophobicContact CD2-CD1 4.36Å; L107-I114 HydrophobicContact CG-CD1 4.39Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 3.96Å
108	V	94.9	Very high	95.7	Very high	48 Å²	48	53.4 Å²	53.4	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-72.4	-19.3	-175.8	-58.1	0	0	0	0	113.1	H104 V110 I116	H104-V108 WeakPolarHBondContact O-CG1 3.26Å; H104-V108 WeakPolarHBondContact O-CG2 3.43Å; H104-V108 PolarHBondContact O-N 3.38Å; V108-V110 PolarHBondContact O-N 2.87Å; V108-I116 HydrophobicContact CG1-CD1 4.04Å
109	R	93.6	Very high	95.8	Very high	149 Å²	149	45.8 Å²	45.8	56%	0.562	23%	0.226	S	C	*	.	H	α-helix	trans	-61.2	-31.5	168.9	179.8	177.7	66.3	-165.3	-2.3	112.2	D76 R105 L107	D76-R109 IonicContact OD1-CZ 2.81Å; D76-R109 IonicContact OD1-NE 3.79Å; D76-R109 IonicContact OD1-NH2 3.66Å; D76-R109 PolarHBondContact OD1-NH2 3.28Å; D76-R109 IonicContact OD2-CZ 2.75Å; D76-R109 IonicContact OD2-NE 3.91Å; D76-R109 IonicContact OD2-NH2 2.8Å; D76-R109 PolarHBondContact OD2-NH2 3.06Å; R105-R109 WeakPolarHBondContact O-CB 3.43Å; R105-R109 PolarHBondContact O-N 2.58Å; R105-R109 VanDerWaalsContact O-N 3.09Å; L107-R109 VanDerWaalsContact C-N 3.25Å; L107-R109 PolarHBondContact O-N 3.1Å
110	V	95.1	Very high	95.9	Very high	47 Å²	47	43.8 Å²	43.8	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-102.8	-36.9	-178.1	-176.1	0	0	0	0	112	D76 Y79 I80 L107 V108	D76-V110 HydrophobicContact CB-CG2 4.03Å; Y79-V110 HydrophobicContact CD2-CB 4.35Å; Y79-V110 HydrophobicContact CD2-CG2 4.07Å; I80-V110 HydrophobicContact CG1-CG1 4.05Å; L107-V110 PolarHBondContact O-N 3.14Å; L107-V110 VanDerWaalsContact O-N 3.09Å; V108-V110 PolarHBondContact O-N 2.87Å
111	C	94.5	Very high	95.9	Very high	8 Å²	8	44 Å²	44	5%	0.054	22%	0.216	C	C	.	.	S	Bend	trans	-119.9	90.3	-178.1	-68.8	0	0	0	0	110.4	Y79 L107 I114	Y79-C111 PolarHBondContact O-SG 2.96Å; L107-C111 PolarHBondContact O-N 2.98Å; C111-I114 HydrophobicContact CB-CD1 3.6Å; C111-I114 HydrophobicContact CB-CG1 3.91Å; C111-I114 HydrophobicContact CB-CG2 4Å
112	E	92.2	Very high	95.9	Very high	153 Å²	153	44 Å²	44	72%	0.715	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	138.2	175.6	-62.6	-177.9	-173.1	0	0	111	I114	E112-I114 VanDerWaalsContact C-N 3.31Å; E112-I114 PolarHBondContact O-N 3.31Å
113	N	92.5	Very high	96	Very high	161 Å²	161	41 Å²	41	86%	0.861	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	29	169.3	-56.1	-49.1	0	0	0	116.6
114	I	97.5	Very high	95.9	Very high	29 Å²	29	42.1 Å²	42.1	15%	0.149	20%	0.201	C	C	.	.			trans	-83.7	148.3	172.8	60.5	163.3	0	0	0	111.9	G82 A85 L107 C111 E112 I116	G82-I114 WeakPolarHBondContact O-CG2 3.29Å; A85-I114 HydrophobicContact CB-CD1 4.03Å; L107-I114 HydrophobicContact CD1-CD1 4.34Å; L107-I114 HydrophobicContact CD2-CD1 4.36Å; L107-I114 HydrophobicContact CG-CD1 4.39Å; C111-I114 HydrophobicContact CB-CD1 3.6Å; C111-I114 HydrophobicContact CB-CG1 3.91Å; C111-I114 HydrophobicContact CB-CG2 4Å; E112-I114 VanDerWaalsContact C-N 3.31Å; E112-I114 PolarHBondContact O-N 3.31Å; I114-I116 HydrophobicContact CD1-CG1 4.32Å; I114-I116 HydrophobicContact CG1-CD1 4.23Å; I114-I116 HydrophobicContact CG1-CG1 4.02Å; I114-I116 PolarHBondContact O-N 2.8Å
115	P	98.3	Very high	95.8	Very high	29 Å²	29	44.5 Å²	44.5	19%	0.188	21%	0.214	C	C	.	.			trans	-62.7	129	169.9	-21.1	33.2	0	0	0	111.1	R83 C84 A85 W162 L163 K166 L167	R83-P115 WeakPolarHBondContact O-CD 3.24Å; C84-P115 VanDerWaalsContact CA-O 3.24Å; C84-P115 WeakPolarHBondContact CA-O 3.34Å; C84-P115 WeakPolarHBondContact CB-O 3.2Å; A85-P115 PolarHBondContact N-O 2.83Å; P115-W162 HydrophobicContact CB-CH2 4.32Å; P115-W162 HydrophobicContact CB-CZ3 3.83Å; P115-L163 HydrophobicContact CB-CD2 3.79Å; P115-K166 HydrophobicContact CB-CB 3.93Å; P115-K166 HydrophobicContact CB-CG 4.43Å; P115-K166 HydrophobicContact CG-CB 3.85Å; P115-L167 HydrophobicContact CG-CD2 4.27Å; P115-L167 HydrophobicContact CG-CG 4.49Å
116	I	98.6	Very high	95.5	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.1	-178.9	-61.1	161.7	0	0	0	109.6	A85 I87 L107 V108 I114 L143 Q144	A85-I116 HydrophobicContact CB-CG1 4.22Å; A85-I116 WeakPolarHBondContact O-CA 3.13Å; I87-I116 HydrophobicContact CD1-CG2 3.94Å; I87-I116 HydrophobicContact CG1-CG2 3.91Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 3.96Å; V108-I116 HydrophobicContact CG1-CD1 4.04Å; I114-I116 HydrophobicContact CD1-CG1 4.32Å; I114-I116 HydrophobicContact CG1-CD1 4.23Å; I114-I116 HydrophobicContact CG1-CG1 4.02Å; I114-I116 PolarHBondContact O-N 2.8Å; I116-L143 HydrophobicContact CB-CD2 3.97Å; I116-L143 HydrophobicContact CD1-CD2 4.43Å; I116-L143 HydrophobicContact CG2-CD1 4.14Å; I116-L143 HydrophobicContact CG2-CD2 4.25Å; I116-Q144 PolarHBondContact O-N 2.97Å
117	V	98.7	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.9	170.8	-175.6	0	0	0	0	109.4	A85 I86 I87 Q144 Y146 P159 W162 L163	A85-V117 PolarHBondContact O-N 3.33Å; I86-V117 CarbonylContact C-O 3.56Å; I86-V117 VanDerWaalsContact CA-O 3.29Å; I86-V117 WeakPolarHBondContact CA-O 3.46Å; I86-V117 HydrophobicContact CG1-CB 4.37Å; I87-V117 PolarHBondContact N-O 3.34Å; V117-Q144 CarbonylContact C-O 3.58Å; V117-Q144 WeakPolarHBondContact CA-O 3.22Å; V117-Q144 HydrophobicContact CG1-CB 4.49Å; V117-Q144 HydrophobicContact CG2-CB 4.31Å; V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.29Å; V117-P159 HydrophobicContact CB-CB 4.46Å; V117-P159 HydrophobicContact CG1-CB 4.02Å; V117-P159 HydrophobicContact CG1-CG 4.42Å; V117-W162 HydrophobicContact CG2-CD2 4.25Å; V117-W162 HydrophobicContact CG2-CE3 3.43Å; V117-W162 VanDerWaalsContact CG2-CE3 3.43Å; V117-W162 HydrophobicContact CG2-CZ3 3.83Å; V117-L163 HydrophobicContact CG2-CD1 4.23Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.72Å
118	L	98.7	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.2	167.7	-179.3	65.8	0	0	0	109.1	I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146	I87-L118 HydrophobicContact CB-CD1 4.11Å; I87-L118 HydrophobicContact CG2-CD1 4.15Å; I87-L118 CarbonylContact O-C 3.58Å; I87-L118 WeakPolarHBondContact O-CA 3.39Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.98Å; F89-L118 HydrophobicContact CE1-CD2 4.15Å; F89-L118 HydrophobicContact CE1-CG 3.89Å; Y97-L118 HydrophobicContact CE2-CD2 4.34Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.66Å; V100-L118 HydrophobicContact CG2-CD1 3.91Å; L118-I135 HydrophobicContact CD2-CG2 4.25Å; L118-H138 HydrophobicContact CD2-CB 4.06Å; L118-Q144 PolarHBondContact N-O 2.84Å; L118-Y145 HydrophobicContact CB-CD2 4.12Å; L118-Y145 HydrophobicContact CD2-CD2 3.94Å; L118-Y145 HydrophobicContact CD2-CE2 4.43Å; L118-Y145 HydrophobicContact CG-CD2 3.89Å; L118-Y145 HydrophobicContact CG-CE2 4.32Å; L118-Y145 WeakPolarHBondContact O-CA 3.15Å; L118-Y145 VanDerWaalsContact O-CD2 3.26Å; L118-Y145 WeakPolarHBondContact O-CD2 3.35Å; L118-Y146 PolarHBondContact O-N 2.93Å
119	C	98.7	Very high	95.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121	179.5	-69.6	0	0	0	0	111.3	I86 I87 M88 F89 Y146 I148 P159	I86-C119 HydrophobicContact CG2-CB 4.2Å; I87-C119 PolarHBondContact O-N 2.73Å; M88-C119 WeakPolarHBondContact CA-O 3.39Å; F89-C119 WeakPolarHBondContact CD1-O 3.03Å; F89-C119 PolarHBondContact N-O 2.75Å; C119-Y146 WeakPolarHBondContact CA-O 3.48Å; C119-I148 HydrophobicContact CB-CD1 3.79Å; C119-I148 HydrophobicContact CB-CG1 4.16Å; C119-P159 VanDerWaalsContact SG-CG 3.53Å
120	G	98.5	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	101.2	167.6	0	0	0	0	0	109.8	F89 Y146 I148	F89-G120 VanDerWaalsContact CZ-CA 3.44Å; G120-Y146 PolarHBondContact N-O 2.68Å; G120-I148 PolarHBondContact O-N 2.82Å
121	N	98.3	Very high	95.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	165	-177	-169.9	30.5	0	0	0	112.6	T20 M88 F89 V91 I148 S149 A150	T20-N121 PolarHBondContact O-ND2 3.21Å; M88-N121 HydrophobicContact CG-CB 3.99Å; M88-N121 HydrophobicContact SD-CB 3.91Å; F89-N121 PolarHBondContact O-N 3.36Å; V91-N121 WeakPolarHBondContact CG2-O 3.41Å; V91-N121 PolarHBondContact N-O 3Å; N121-I148 CarbonylContact C-O 3.57Å; N121-I148 WeakPolarHBondContact CA-O 3.27Å; N121-I148 HydrophobicContact CB-CD1 4.16Å; N121-I148 HydrophobicContact CB-CG1 3.88Å; N121-I148 PolarHBondContact OD1-O 3.29Å; N121-S149 WeakPolarHBondContact OD1-CA 3.47Å; N121-A150 PolarHBondContact OD1-N 3.16Å
122	K	96.5	Very high	95.7	Very high	54 Å²	54	46.7 Å²	46.7	24%	0.235	23%	0.23	C	C	.	.			trans	70.2	32.5	177	-45.9	-168.8	-166.1	166.6	0	114.8	G19 D90 D124 I125 I148	G19-K122 WeakPolarHBondContact O-CE 3.33Å; G19-K122 PolarHBondContact O-NZ 2.83Å; D90-K122 WeakPolarHBondContact OD2-CD 3.02Å; D90-K122 WeakPolarHBondContact OD2-CE 3.39Å; D90-K122 IonicContact OD2-NZ 2.86Å; D90-K122 PolarHBondContact OD2-NZ 2.79Å; K122-D124 WeakPolarHBondContact CA-OD1 3.42Å; K122-D124 PolarHBondContact O-N 2.98Å; K122-D124 VanDerWaalsContact O-N 3.15Å; K122-I125 HydrophobicContact CB-CD1 4.01Å; K122-I125 HydrophobicContact CB-CG1 4.4Å; K122-I125 HydrophobicContact CD-CD1 4.13Å; K122-I125 PolarHBondContact O-N 3.37Å; K122-I148 PolarHBondContact N-O 2.73Å
123	V	96.2	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.7	176.2	-56.4	0	0	0	0	113.5	V91 I125 D147 I148 Y154 I188 Y196	V91-V123 HydrophobicContact CG1-CG1 3.94Å; V91-V123 HydrophobicContact CG2-CG1 4.05Å; V123-I125 PolarHBondContact O-N 3.34Å; V123-D147 HydrophobicContact CG1-CB 3.87Å; V123-I148 WeakPolarHBondContact CG2-O 3.34Å; V123-I148 PolarHBondContact N-O 3.35Å; V123-Y154 HydrophobicContact CG2-CD1 3.57Å; V123-Y154 HydrophobicContact CG2-CE1 4.03Å; V123-I188 HydrophobicContact CG2-CD1 3.75Å; V123-Y196 HydrophobicContact CB-CD2 4.3Å; V123-Y196 HydrophobicContact CB-CE2 3.97Å; V123-Y196 WeakPolarHBondContact O-CE2 3.06Å
124	D	93.5	Very high	95.7	Very high	26 Å²	26	42.4 Å²	42.4	14%	0.139	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.2	168.8	57.3	-72.8	0	0	0	113.6	K122 S149 K151 I186 I188	K122-D124 WeakPolarHBondContact CA-OD1 3.42Å; K122-D124 PolarHBondContact O-N 2.98Å; K122-D124 VanDerWaalsContact O-N 3.15Å; D124-S149 VanDerWaalsContact CG-OG 3.23Å; D124-S149 VanDerWaalsContact OD1-CB 3.29Å; D124-S149 WeakPolarHBondContact OD1-CB 3.21Å; D124-S149 PolarHBondContact OD1-OG 3.24Å; D124-K151 WeakPolarHBondContact OD2-CD 3.47Å; D124-I186 HydrophobicContact CB-CG2 4.15Å; D124-I188 HydrophobicContact CB-CD1 4.02Å; D124-I188 HydrophobicContact CB-CG1 3.93Å
125	I	93.4	Very high	95.6	Very high	70 Å²	70	41.2 Å²	41.2	36%	0.359	20%	0.201	S	C	.	.	S	Bend	trans	-88.7	121.4	177.9	-58.1	177.1	0	0	0	109.7	T92 K122 V123 D127	T92-I125 HydrophobicContact CG2-CB 3.67Å; T92-I125 HydrophobicContact CG2-CD1 3.85Å; T92-I125 HydrophobicContact CG2-CG1 4.3Å; T92-I125 HydrophobicContact CG2-CG2 3.7Å; K122-I125 HydrophobicContact CB-CD1 4.01Å; K122-I125 HydrophobicContact CB-CG1 4.4Å; K122-I125 HydrophobicContact CD-CD1 4.13Å; K122-I125 PolarHBondContact O-N 3.37Å; V123-I125 PolarHBondContact O-N 3.34Å; I125-D127 VanDerWaalsContact C-N 3.32Å; I125-D127 PolarHBondContact O-N 3.33Å
126	Q	89.3	Confident	95.5	Very high	171 Å²	171	40.7 Å²	40.7	80%	0.799	20%	0.198	S	C	*	.	S	Bend	trans	-61.1	-35.5	-176.2	-68.2	-177.2	-6.3	0	0	113.5	R128	Q126-R128 PolarHBondContact O-N 2.86Å
127	D	92.6	Very high	95.4	Very high	97 Å²	97	41.4 Å²	41.4	52%	0.519	20%	0.2	S	C	.	.			trans	-78.2	55.5	179.7	-168.9	21.3	0	0	0	112.6	I125 K129	I125-D127 VanDerWaalsContact C-N 3.32Å; I125-D127 PolarHBondContact O-N 3.33Å; D127-K129 VanDerWaalsContact CG-CE 3.46Å; D127-K129 PolarHBondContact O-N 3.17Å; D127-K129 VanDerWaalsContact OD1-CE 3.31Å; D127-K129 WeakPolarHBondContact OD1-CE 3.31Å; D127-K129 IonicContact OD1-NZ 3.38Å; D127-K129 PolarHBondContact OD1-NZ 3.15Å; D127-K129 WeakPolarHBondContact OD2-CE 3.07Å; D127-K129 IonicContact OD2-NZ 2.67Å; D127-K129 PolarHBondContact OD2-NZ 2.85Å
128	R	95.5	Very high	95.2	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.011	21%	0.207	C	C	.	.			trans	-65	112.9	176.9	179.6	178	-174.3	150.2	9.7	110.5	V91 Q126 V130 K131 D147 Y196	V91-R128 HydrophobicContact CB-CG 4.02Å; V91-R128 HydrophobicContact CG2-CG 4Å; Q126-R128 PolarHBondContact O-N 2.86Å; R128-V130 WeakPolarHBondContact CG-O 3.08Å; R128-V130 PolarHBondContact NE-O 2.89Å; R128-K131 HydrophobicContact CG-CD 4.21Å; R128-K131 WeakPolarHBondContact O-CE 3.29Å; R128-K131 PolarHBondContact O-NZ 2.98Å; R128-D147 IonicContact CZ-OD1 2.69Å; R128-D147 IonicContact CZ-OD2 3.61Å; R128-D147 IonicContact NH1-OD1 3.25Å; R128-D147 IonicContact NH1-OD2 3.95Å; R128-D147 PolarHBondContact NH1-OD2 2.78Å; R128-D147 IonicContact NH2-OD1 3.81Å; R128-D147 PolarHBondContact NH2-OD1 3.17Å; R128-D147 IonicContact NH2-OD2 2.66Å; R128-D147 PolarHBondContact NH2-OD2 3.27Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.3Å
129	K	96.6	Very high	94.9	Very high	85 Å²	85	46.5 Å²	46.5	37%	0.37	22%	0.221	S	C	.	.			trans	-89	-28.9	-179.5	-58.9	-56.8	-171.6	-166.3	0	114.2	V91 T92 R94 D127	V91-K129 PolarHBondContact O-N 3.15Å; T92-K129 WeakPolarHBondContact O-CG 3.23Å; R94-K129 HydrophobicContact CG-CB 3.94Å; R94-K129 PolarHBondContact NE-O 2.91Å; D127-K129 VanDerWaalsContact CG-CE 3.46Å; D127-K129 PolarHBondContact O-N 3.17Å; D127-K129 VanDerWaalsContact OD1-CE 3.31Å; D127-K129 WeakPolarHBondContact OD1-CE 3.31Å; D127-K129 IonicContact OD1-NZ 3.38Å; D127-K129 PolarHBondContact OD1-NZ 3.15Å; D127-K129 WeakPolarHBondContact OD2-CE 3.07Å; D127-K129 IonicContact OD2-NZ 2.67Å; D127-K129 PolarHBondContact OD2-NZ 2.85Å
130	V	96.4	Very high	94.6	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	23%	0.233	C	C	.	.	S	Bend	trans	-103.2	100.7	177.1	-172.5	0	0	0	0	108.3	F89 V91 R94 Y97 R128 I135	F89-V130 HydrophobicContact CE2-CB 4.2Å; F89-V130 HydrophobicContact CE2-CG1 3.91Å; V91-V130 PolarHBondContact O-N 3.12Å; R94-V130 HydrophobicContact CG-CG2 4.22Å; Y97-V130 HydrophobicContact CD1-CG1 4.04Å; Y97-V130 HydrophobicContact CD2-CG1 4.35Å; Y97-V130 HydrophobicContact CG-CG1 3.87Å; R128-V130 WeakPolarHBondContact CG-O 3.08Å; R128-V130 PolarHBondContact NE-O 2.89Å; V130-I135 HydrophobicContact CG1-CD1 3.98Å; V130-I135 HydrophobicContact CG1-CG1 3.63Å
131	K	93.9	Very high	94.4	Very high	83 Å²	83	54.5 Å²	54.5	36%	0.361	26%	0.255	S	S	.	.			trans	-84.8	157.1	-176.6	-59.9	-59.9	-169.9	-172.2	0	110.9	R128 K133 S134	R128-K131 HydrophobicContact CG-CD 4.21Å; R128-K131 WeakPolarHBondContact O-CE 3.29Å; R128-K131 PolarHBondContact O-NZ 2.98Å; K131-K133 HydrophobicContact CB-CG 4.18Å; K131-K133 PolarHBondContact O-N 3.2Å; K131-K133 VanDerWaalsContact O-N 3.14Å; K131-S134 PolarHBondContact N-OG 3.19Å; K131-S134 PolarHBondContact O-N 3.3Å; K131-S134 PolarHBondContact O-OG 3.01Å
132	A	92.9	Very high	94.2	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.033	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-48.6	-44.5	-179.8	0	0	0	0	0	113.3	S134 I135 E199 I200 A203	A132-S134 PolarHBondContact O-N 3.2Å; A132-S134 VanDerWaalsContact O-N 3.12Å; A132-I135 PolarHBondContact O-N 3.07Å; A132-E199 HydrophobicContact CB-CB 3.78Å; A132-E199 WeakPolarHBondContact CB-O 3.39Å; A132-I200 HydrophobicContact CB-CG1 4Å; A132-A203 HydrophobicContact CB-CB 4.17Å
133	K	92.4	Very high	94.2	Very high	175 Å²	175	59.7 Å²	59.7	76%	0.761	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-56.9	-27	177.2	68	176.3	-175.1	174	0	115.5	K131	K131-K133 HydrophobicContact CB-CG 4.18Å; K131-K133 PolarHBondContact O-N 3.2Å; K131-K133 VanDerWaalsContact O-N 3.14Å
134	S	93.2	Very high	94.3	Very high	49 Å²	49	62.5 Å²	62.5	34%	0.343	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-86.5	-10.9	178.3	57.1	0	0	0	0	113.1	Y97 K131 A132 T136	Y97-S134 WeakPolarHBondContact CE1-O 3.49Å; Y97-S134 PolarHBondContact OH-O 3.21Å; K131-S134 PolarHBondContact N-OG 3.19Å; K131-S134 PolarHBondContact O-N 3.3Å; K131-S134 PolarHBondContact O-OG 3.01Å; A132-S134 PolarHBondContact O-N 3.2Å; A132-S134 VanDerWaalsContact O-N 3.12Å; S134-T136 PolarHBondContact O-N 2.95Å
135	I	95.4	Very high	94.5	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	29%	0.294	C	S	.	.			trans	-93.4	76	-173.1	-56.7	165.7	0	0	0	109.1	F89 Y97 L118 V130 A132 H138 Y145	F89-I135 HydrophobicContact CE2-CD1 4.39Å; F89-I135 HydrophobicContact CZ-CD1 3.85Å; F89-I135 HydrophobicContact CZ-CG1 4.21Å; F89-I135 HydrophobicContact CZ-CG2 4.43Å; Y97-I135 HydrophobicContact CE2-CB 4.37Å; Y97-I135 HydrophobicContact CE2-CG1 4.29Å; Y97-I135 HydrophobicContact CE2-CG2 3.92Å; Y97-I135 VanDerWaalsContact OH-CA 3.3Å; Y97-I135 WeakPolarHBondContact OH-CA 3.37Å; L118-I135 HydrophobicContact CD2-CG2 4.25Å; V130-I135 HydrophobicContact CG1-CD1 3.98Å; V130-I135 HydrophobicContact CG1-CG1 3.63Å; A132-I135 PolarHBondContact O-N 3.07Å; I135-H138 PolarHBondContact O-CE1 3.05Å; I135-H138 PolarHBondContact O-ND1 3.11Å; I135-Y145 HydrophobicContact CD1-CE1 4.32Å; I135-Y145 HydrophobicContact CD1-CE2 4.39Å; I135-Y145 VanDerWaalsContact CD1-OH 3.32Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.39Å; I135-Y145 HydrophobicContact CG2-CD2 3.94Å; I135-Y145 HydrophobicContact CG2-CE1 4.39Å; I135-Y145 HydrophobicContact CG2-CE2 3.78Å; I135-Y145 HydrophobicContact CG2-CG 4.32Å
136	T	95.5	Very high	94.7	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.117	29%	0.286	C	S	.	.			trans	-103.8	-16.3	-175.7	55.5	0	0	0	0	113.6	Y97 S134 H138 R139 K140 L208 P209	Y97-T136 PolarHBondContact OH-N 3.14Å; S134-T136 PolarHBondContact O-N 2.95Å; T136-H138 VanDerWaalsContact C-N 3.29Å; T136-H138 PolarHBondContact O-N 3.2Å; T136-R139 WeakPolarHBondContact O-CB 3.42Å; T136-R139 PolarHBondContact O-N 2.91Å; T136-K140 PolarHBondContact O-N 2.84Å; T136-L208 HydrophobicContact CG2-CD2 4.24Å; T136-P209 HydrophobicContact CG2-CG 4.22Å
137	F	96.5	Very high	95.1	Very high	21 Å²	21	52.5 Å²	52.5	9%	0.092	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-39.5	-172	-175.3	-99.1	0	0	0	113.2	Y97 V100 P101 H104 R139 K140 K141 L143	Y97-F137 HydrophobicContact CE2-CB 4.49Å; Y97-F137 WeakPolarHBondContact OH-CB 3.48Å; Y97-F137 PolarHBondContact OH-N 2.66Å; Y97-F137 VanDerWaalsContact OH-N 3.11Å; V100-F137 HydrophobicContact CG1-CD1 3.49Å; V100-F137 VanDerWaalsContact CG1-CD1 3.49Å; V100-F137 HydrophobicContact CG1-CE1 3.74Å; V100-F137 HydrophobicContact CG1-CG 4.12Å; P101-F137 HydrophobicContact CB-CD2 4.35Å; P101-F137 HydrophobicContact CB-CE2 3.71Å; P101-F137 HydrophobicContact CB-CZ 4.21Å; P101-F137 HydrophobicContact CG-CD2 3.81Å; P101-F137 HydrophobicContact CG-CE2 3.68Å; P101-F137 HydrophobicContact CG-CZ 4.41Å; H104-F137 HydrophobicContact CB-CE1 3.68Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.72Å; H104-F137 AromaticContact CG-CZ 3.6Å; H104-F137 AromaticContact ND1-CZ 3.93Å; F137-R139 VanDerWaalsContact C-N 3.28Å; F137-R139 PolarHBondContact O-N 2.81Å; F137-K140 PolarHBondContact O-N 3.32Å; F137-K141 HydrophobicContact CD1-CG 4.42Å; F137-K141 HydrophobicContact CD2-CG 4.47Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.83Å; F137-K141 HydrophobicContact CE2-CG 3.89Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 3.05Å; F137-L143 HydrophobicContact CD1-CD1 4.13Å; F137-L143 HydrophobicContact CE1-CD1 3.97Å
138	H	94.8	Very high	95.3	Very high	30 Å²	30	47.9 Å²	47.9	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-36.4	179.2	71.2	-83.1	0	0	0	112.4	L118 I135 T136 K141 N142 L143	L118-H138 HydrophobicContact CD2-CB 4.06Å; I135-H138 PolarHBondContact O-CE1 3.05Å; I135-H138 PolarHBondContact O-ND1 3.11Å; T136-H138 VanDerWaalsContact C-N 3.29Å; T136-H138 PolarHBondContact O-N 3.2Å; H138-K141 PolarHBondContact O-N 3.4Å; H138-N142 CarbonylContact O-C 3.5Å; H138-N142 WeakPolarHBondContact O-CA 3.44Å; H138-N142 PolarHBondContact O-N 2.98Å; H138-L143 HydrophobicContact CB-CB 3.98Å; H138-L143 PolarHBondContact O-N 2.93Å
139	R	93.3	Very high	95.4	Very high	78 Å²	78	47.8 Å²	47.8	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-68.6	-43.6	176.3	-62.1	175.2	62.8	-162.3	-2.1	111	T136 F137 K141 N142 A203 A204 A206 L208	T136-R139 WeakPolarHBondContact O-CB 3.42Å; T136-R139 PolarHBondContact O-N 2.91Å; F137-R139 VanDerWaalsContact C-N 3.28Å; F137-R139 PolarHBondContact O-N 2.81Å; R139-K141 VanDerWaalsContact C-N 3.26Å; R139-K141 PolarHBondContact O-N 2.88Å; R139-N142 PolarHBondContact O-N 2.86Å; R139-A203 PolarHBondContact NH1-O 3.05Å; R139-A204 PolarHBondContact NH2-O 3.27Å; R139-A206 PolarHBondContact NH1-O 3.37Å; R139-A206 PolarHBondContact NH2-O 3.46Å; R139-L208 HydrophobicContact CB-CD1 4.33Å; R139-L208 HydrophobicContact CB-CD2 3.81Å; R139-L208 HydrophobicContact CG-CD2 4.43Å
140	K	92.1	Very high	95.2	Very high	59 Å²	59	43.9 Å²	43.9	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-29.5	178	-66.4	-171.9	174.8	-163.4	0	113.4	T136 F137 L208 E214	T136-K140 PolarHBondContact O-N 2.84Å; F137-K140 PolarHBondContact O-N 3.32Å; K140-L208 HydrophobicContact CG-CD1 4.26Å; K140-E214 WeakPolarHBondContact CE-OE1 3.35Å; K140-E214 VanDerWaalsContact NZ-CD 3.26Å; K140-E214 IonicContact NZ-OE1 3.57Å; K140-E214 PolarHBondContact NZ-OE1 2.99Å; K140-E214 IonicContact NZ-OE2 2.9Å
141	K	94.7	Very high	94.9	Very high	108 Å²	108	46.8 Å²	46.8	47%	0.47	22%	0.219	S	C	.	.	H	α-helix	trans	-110.9	7.2	-178	-61.4	-56.3	-178.3	-169.9	0	114.5	F137 H138 R139 L143	F137-K141 HydrophobicContact CD1-CG 4.42Å; F137-K141 HydrophobicContact CD2-CG 4.47Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.83Å; F137-K141 HydrophobicContact CE2-CG 3.89Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 3.05Å; H138-K141 PolarHBondContact O-N 3.4Å; R139-K141 VanDerWaalsContact C-N 3.26Å; R139-K141 PolarHBondContact O-N 2.88Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 HydrophobicContact CB-CD1 4.19Å; K141-L143 HydrophobicContact CB-CD2 3.98Å; K141-L143 HydrophobicContact CB-CG 3.81Å; K141-L143 VanDerWaalsContact O-CD2 3.32Å; K141-L143 WeakPolarHBondContact O-CD2 3.07Å; K141-L143 PolarHBondContact O-N 3.15Å
142	N	93.7	Very high	94.7	Very high	149 Å²	149	43.4 Å²	43.4	80%	0.797	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	44.6	-177.5	-166.7	31.5	0	0	0	113.7	H138 R139	H138-N142 CarbonylContact O-C 3.5Å; H138-N142 WeakPolarHBondContact O-CA 3.44Å; H138-N142 PolarHBondContact O-N 2.98Å; R139-N142 PolarHBondContact O-N 2.86Å
143	L	97.4	Very high	94.6	Very high	18 Å²	18	44.4 Å²	44.4	9%	0.094	21%	0.21	C	C	.	.			trans	-97.7	152.4	176.4	-41.9	-175.6	0	0	0	109.9	I116 F137 H138 K141	I116-L143 HydrophobicContact CB-CD2 3.97Å; I116-L143 HydrophobicContact CD1-CD2 4.43Å; I116-L143 HydrophobicContact CG2-CD1 4.14Å; I116-L143 HydrophobicContact CG2-CD2 4.25Å; F137-L143 HydrophobicContact CD1-CD1 4.13Å; F137-L143 HydrophobicContact CE1-CD1 3.97Å; H138-L143 HydrophobicContact CB-CB 3.98Å; H138-L143 PolarHBondContact O-N 2.93Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 HydrophobicContact CB-CD1 4.19Å; K141-L143 HydrophobicContact CB-CD2 3.98Å; K141-L143 HydrophobicContact CB-CG 3.81Å; K141-L143 VanDerWaalsContact O-CD2 3.32Å; K141-L143 WeakPolarHBondContact O-CD2 3.07Å; K141-L143 PolarHBondContact O-N 3.15Å
144	Q	97.5	Very high	94.6	Very high	59 Å²	59	37.5 Å²	37.5	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.8	166.4	-176.8	61.2	45.6	0	0	110.1	I116 V117 L118 Y146 W162	I116-Q144 PolarHBondContact O-N 2.97Å; V117-Q144 CarbonylContact C-O 3.58Å; V117-Q144 WeakPolarHBondContact CA-O 3.22Å; V117-Q144 HydrophobicContact CG1-CB 4.49Å; V117-Q144 HydrophobicContact CG2-CB 4.31Å; L118-Q144 PolarHBondContact N-O 2.84Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Q144-W162 HydrophobicContact CB-CD2 3.69Å; Q144-W162 VanDerWaalsContact CB-CE2 3.42Å; Q144-W162 HydrophobicContact CB-CE3 4.06Å; Q144-W162 HydrophobicContact CB-CG 4.19Å; Q144-W162 HydrophobicContact CB-CH2 3.96Å; Q144-W162 HydrophobicContact CB-CZ2 3.58Å; Q144-W162 HydrophobicContact CB-CZ3 4.18Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.86Å; Q144-W162 HydrophobicContact CG-CZ2 4.46Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.1Å
145	Y	98.1	Very high	94.6	Very high	12 Å²	12	36 Å²	36	5%	0.047	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.3	173.4	179.5	-108.6	0	0	0	111.8	F89 L118 I135 D147 I200	F89-Y145 AromaticContact CE1-CE2 3.74Å; F89-Y145 HydrophobicContact CE1-CE2 3.74Å; F89-Y145 AromaticContact CZ-CE2 3.86Å; F89-Y145 HydrophobicContact CZ-CE2 3.86Å; L118-Y145 HydrophobicContact CB-CD2 4.12Å; L118-Y145 HydrophobicContact CD2-CD2 3.94Å; L118-Y145 HydrophobicContact CD2-CE2 4.43Å; L118-Y145 HydrophobicContact CG-CD2 3.89Å; L118-Y145 HydrophobicContact CG-CE2 4.32Å; L118-Y145 WeakPolarHBondContact O-CA 3.15Å; L118-Y145 VanDerWaalsContact O-CD2 3.26Å; L118-Y145 WeakPolarHBondContact O-CD2 3.35Å; I135-Y145 HydrophobicContact CD1-CE1 4.32Å; I135-Y145 HydrophobicContact CD1-CE2 4.39Å; I135-Y145 VanDerWaalsContact CD1-OH 3.32Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.39Å; I135-Y145 HydrophobicContact CG2-CD2 3.94Å; I135-Y145 HydrophobicContact CG2-CE1 4.39Å; I135-Y145 HydrophobicContact CG2-CE2 3.78Å; I135-Y145 HydrophobicContact CG2-CG 4.32Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.46Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.29Å; Y145-D147 PolarHBondContact OH-OD1 2.93Å; Y145-I200 HydrophobicContact CD1-CD1 4.48Å; Y145-I200 HydrophobicContact CE1-CD1 3.93Å; Y145-I200 HydrophobicContact CE1-CG1 4.26Å
146	Y	98	Very high	94.4	Very high	45 Å²	45	35.9 Å²	35.9	18%	0.176	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.1	165.4	-66.4	-64.8	0	0	0	111.4	V117 L118 C119 G120 Q144 K158 P159 W162	V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.29Å; L118-Y146 PolarHBondContact O-N 2.93Å; C119-Y146 WeakPolarHBondContact CA-O 3.48Å; G120-Y146 PolarHBondContact N-O 2.68Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Y146-K158 HydrophobicContact CD1-CB 3.98Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.05Å; Y146-K158 HydrophobicContact CE1-CB 3.92Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.45Å; Y146-K158 HydrophobicContact CE2-CB 3.96Å; Y146-K158 HydrophobicContact CG-CB 4.07Å; Y146-P159 HydrophobicContact CD2-CG 4.11Å; Y146-W162 HydrophobicContact CE2-CB 4.1Å
147	D	97.5	Very high	94.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131	155.1	-91.5	5.7	0	0	0	108.7	V123 R128 Y145 Y154 N155 I200	V123-D147 HydrophobicContact CG1-CB 3.87Å; R128-D147 IonicContact CZ-OD1 2.69Å; R128-D147 IonicContact CZ-OD2 3.61Å; R128-D147 IonicContact NH1-OD1 3.25Å; R128-D147 IonicContact NH1-OD2 3.95Å; R128-D147 PolarHBondContact NH1-OD2 2.78Å; R128-D147 IonicContact NH2-OD1 3.81Å; R128-D147 PolarHBondContact NH2-OD1 3.17Å; R128-D147 IonicContact NH2-OD2 2.66Å; R128-D147 PolarHBondContact NH2-OD2 3.27Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.46Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.29Å; Y145-D147 PolarHBondContact OH-OD1 2.93Å; D147-Y154 HydrophobicContact CB-CE1 4.08Å; D147-N155 WeakPolarHBondContact O-CB 3.49Å; D147-N155 PolarHBondContact O-ND2 2.91Å; D147-I200 HydrophobicContact CB-CD1 4.03Å
148	I	97.2	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.			trans	-135.2	160.2	176.8	69.1	168.3	0	0	0	111.2	F25 M88 C119 G120 N121 K122 V123 Y154 N155 P159	F25-I148 HydrophobicContact CD2-CD1 3.7Å; F25-I148 HydrophobicContact CE2-CD1 3.67Å; F25-I148 HydrophobicContact CZ-CD1 4.43Å; M88-I148 HydrophobicContact CE-CD1 3.84Å; C119-I148 HydrophobicContact CB-CD1 3.79Å; C119-I148 HydrophobicContact CB-CG1 4.16Å; G120-I148 PolarHBondContact O-N 2.82Å; N121-I148 CarbonylContact C-O 3.57Å; N121-I148 WeakPolarHBondContact CA-O 3.27Å; N121-I148 HydrophobicContact CB-CD1 4.16Å; N121-I148 HydrophobicContact CB-CG1 3.88Å; N121-I148 PolarHBondContact OD1-O 3.29Å; K122-I148 PolarHBondContact N-O 2.73Å; V123-I148 WeakPolarHBondContact CG2-O 3.34Å; V123-I148 PolarHBondContact N-O 3.35Å; I148-Y154 WeakPolarHBondContact CA-O 3.4Å; I148-N155 HydrophobicContact CG2-CB 4.12Å; I148-P159 HydrophobicContact CG2-CG 4.26Å
149	S	95.7	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-138.1	110.9	163.6	163.8	0	0	0	0	110	N121 D124 K151 S152 N153 Y154	N121-S149 WeakPolarHBondContact OD1-CA 3.47Å; D124-S149 VanDerWaalsContact CG-OG 3.23Å; D124-S149 VanDerWaalsContact OD1-CB 3.29Å; D124-S149 WeakPolarHBondContact OD1-CB 3.21Å; D124-S149 PolarHBondContact OD1-OG 3.24Å; S149-K151 PolarHBondContact O-N 2.82Å; S149-K151 VanDerWaalsContact O-N 3.14Å; S149-K151 PolarHBondContact OG-N 3.47Å; S149-S152 WeakPolarHBondContact CB-OG 3.47Å; S149-S152 PolarHBondContact O-N 3.49Å; S149-S152 PolarHBondContact OG-N 2.99Å; S149-S152 VanDerWaalsContact OG-N 3.1Å; S149-S152 PolarHBondContact OG-OG 3.31Å; S149-N153 WeakPolarHBondContact O-CA 3.35Å; S149-N153 PolarHBondContact O-N 2.84Å; S149-Y154 PolarHBondContact N-O 2.9Å; S149-Y154 PolarHBondContact O-N 3.47Å
150	A	92.6	Very high	94.6	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.1	172.3	0	0	0	0	0	112.6	T24 F25 R28 F34 N121 F156	T24-A150 HydrophobicContact CG2-CB 4.27Å; F25-A150 HydrophobicContact CB-CB 4.29Å; R28-A150 WeakPolarHBondContact CD-O 3.32Å; R28-A150 PolarHBondContact NH1-O 3.4Å; F34-A150 WeakPolarHBondContact CD2-O 3.3Å; N121-A150 PolarHBondContact OD1-N 3.16Å; A150-F156 HydrophobicContact CB-CE2 4.26Å
151	K	90.8	Very high	94.9	Very high	65 Å²	65	32.7 Å²	32.7	28%	0.283	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-32.9	179.6	-165.8	179.8	176.6	-175.2	0	113.4	R28 F34 D124 S149 E185 I186	R28-K151 VanDerWaalsContact NH1-CA 3.33Å; R28-K151 PolarHBondContact NH1-O 3.42Å; F34-K151 HydrophobicContact CD1-CG 4.35Å; F34-K151 HydrophobicContact CD2-CB 4.2Å; F34-K151 HydrophobicContact CD2-CG 4.24Å; F34-K151 HydrophobicContact CE1-CD 4.28Å; F34-K151 HydrophobicContact CE1-CG 4Å; F34-K151 HydrophobicContact CE2-CB 3.62Å; F34-K151 HydrophobicContact CE2-CG 3.86Å; F34-K151 HydrophobicContact CG-CG 4.46Å; F34-K151 HydrophobicContact CZ-CB 3.86Å; F34-K151 HydrophobicContact CZ-CD 4.12Å; F34-K151 HydrophobicContact CZ-CG 3.73Å; D124-K151 WeakPolarHBondContact OD2-CD 3.47Å; S149-K151 PolarHBondContact O-N 2.82Å; S149-K151 VanDerWaalsContact O-N 3.14Å; S149-K151 PolarHBondContact OG-N 3.47Å; K151-E185 HydrophobicContact CG-CB 4.3Å; K151-E185 PolarHBondContact O-N 2.86Å; K151-I186 HydrophobicContact CB-CG2 4.35Å; K151-I186 HydrophobicContact CD-CG2 3.83Å; K151-I186 HydrophobicContact CG-CG2 3.84Å
152	S	90.1	Very high	95.1	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.091	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	0.1	-177.2	63.4	0	0	0	0	114.3	S149 Y154 P184 I186 I188	S149-S152 WeakPolarHBondContact CB-OG 3.47Å; S149-S152 PolarHBondContact O-N 3.49Å; S149-S152 PolarHBondContact OG-N 2.99Å; S149-S152 VanDerWaalsContact OG-N 3.1Å; S149-S152 PolarHBondContact OG-OG 3.31Å; S152-Y154 PolarHBondContact O-N 3.2Å; S152-Y154 WeakPolarHBondContact OG-CB 3.35Å; S152-Y154 PolarHBondContact OG-N 3.04Å; S152-P184 WeakPolarHBondContact O-CB 3.18Å; S152-I186 WeakPolarHBondContact CA-O 3.34Å; S152-I186 WeakPolarHBondContact CB-O 3.43Å; S152-I188 VanDerWaalsContact OG-CD1 3.23Å; S152-I188 WeakPolarHBondContact OG-CD1 3.45Å; S152-I188 VanDerWaalsContact OG-CG1 3.31Å; S152-I188 WeakPolarHBondContact OG-CG1 3.13Å
153	N	90	Very high	95.3	Very high	25 Å²	25	22.5 Å²	22.5	13%	0.134	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	18.1	-171.1	-52.9	-24.5	0	0	0	113.6	R28 S149 N155 F156 M181 Q182	R28-N153 WeakPolarHBondContact CD-OD1 3.39Å; R28-N153 PolarHBondContact NE-OD1 3.14Å; S149-N153 WeakPolarHBondContact O-CA 3.35Å; S149-N153 PolarHBondContact O-N 2.84Å; N153-N155 PolarHBondContact O-N 3.15Å; N153-F156 HydrophobicContact CB-CB 4.4Å; N153-F156 WeakPolarHBondContact O-CB 3.12Å; N153-F156 PolarHBondContact O-N 3.47Å; N153-M181 HydrophobicContact CB-SD 4.22Å; N153-Q182 PolarHBondContact ND2-O 2.61Å
154	Y	93.1	Very high	95.3	Very high	29 Å²	29	21.7 Å²	21.7	11%	0.114	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-66.7	125.3	178.3	179	-112.3	0	0	0	111.1	V123 D147 I148 S149 S152 F156 I188 V193	V123-Y154 HydrophobicContact CG2-CD1 3.57Å; V123-Y154 HydrophobicContact CG2-CE1 4.03Å; D147-Y154 HydrophobicContact CB-CE1 4.08Å; I148-Y154 WeakPolarHBondContact CA-O 3.4Å; S149-Y154 PolarHBondContact N-O 2.9Å; S149-Y154 PolarHBondContact O-N 3.47Å; S152-Y154 PolarHBondContact O-N 3.2Å; S152-Y154 WeakPolarHBondContact OG-CB 3.35Å; S152-Y154 PolarHBondContact OG-N 3.04Å; Y154-F156 PolarHBondContact O-N 2.61Å; Y154-F156 VanDerWaalsContact O-N 3.13Å; Y154-I188 HydrophobicContact CD1-CD1 4.2Å; Y154-I188 HydrophobicContact CG-CD1 3.99Å; Y154-V193 HydrophobicContact CD2-CG1 4.47Å; Y154-V193 HydrophobicContact CD2-CG2 4.24Å; Y154-V193 HydrophobicContact CE2-CB 4.36Å; Y154-V193 HydrophobicContact CE2-CG1 3.51Å; Y154-V193 HydrophobicContact CE2-CG2 3.97Å
155	N	93.6	Very high	95.3	Very high	19 Å²	19	22.6 Å²	22.6	10%	0.102	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	27.2	-178.6	-68.7	-23.5	0	0	0	114.4	D147 I148 N153 E157 K158 P159	D147-N155 WeakPolarHBondContact O-CB 3.49Å; D147-N155 PolarHBondContact O-ND2 2.91Å; I148-N155 HydrophobicContact CG2-CB 4.12Å; N153-N155 PolarHBondContact O-N 3.15Å; N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.01Å; N155-K158 HydrophobicContact CB-CB 4.48Å; N155-K158 HydrophobicContact CB-CD 3.89Å; N155-K158 HydrophobicContact CB-CG 4.22Å; N155-K158 PolarHBondContact O-N 2.91Å; N155-K158 WeakPolarHBondContact OD1-CD 3.4Å; N155-K158 WeakPolarHBondContact OD1-CE 3.45Å; N155-K158 PolarHBondContact OD1-NZ 3.42Å; N155-P159 VanDerWaalsContact O-CD 3.27Å; N155-P159 WeakPolarHBondContact O-CD 3.17Å
156	F	90.6	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.123	C	C	.	.			trans	-65.6	-35.6	-166.4	-164.2	-120.4	0	0	0	112.8	F25 R28 H29 A150 N153 Y154 M181	F25-F156 HydrophobicContact CB-CE2 4.48Å; F25-F156 AromaticContact CD2-CD2 3.54Å; F25-F156 HydrophobicContact CD2-CD2 3.54Å; F25-F156 AromaticContact CD2-CE2 3.25Å; F25-F156 HydrophobicContact CD2-CE2 3.25Å; F25-F156 HydrophobicContact CD2-CZ 4.21Å; F25-F156 AromaticContact CE2-CD2 3.49Å; F25-F156 HydrophobicContact CE2-CD2 3.49Å; F25-F156 VanDerWaalsContact CE2-CD2 3.49Å; F25-F156 AromaticContact CE2-CE2 3.65Å; F25-F156 HydrophobicContact CE2-CE2 3.65Å; F25-F156 HydrophobicContact CE2-CG 4.25Å; F25-F156 HydrophobicContact CG-CE2 4.07Å; F25-F156 VanDerWaalsContact O-CZ 3.22Å; F25-F156 WeakPolarHBondContact O-CZ 3.24Å; R28-F156 HydrophobicContact CB-CE1 4.42Å; R28-F156 HydrophobicContact CB-CE2 4.49Å; R28-F156 HydrophobicContact CB-CZ 3.69Å; R28-F156 HydrophobicContact CG-CE1 4.18Å; R28-F156 HydrophobicContact CG-CZ 3.79Å; H29-F156 HydrophobicContact CB-CE1 4.35Å; H29-F156 AromaticContact CD2-CD1 3.89Å; H29-F156 AromaticContact CD2-CE1 3.62Å; H29-F156 AromaticContact CE1-CD1 3.08Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.23Å; H29-F156 AromaticContact CE1-CD2 3.75Å; H29-F156 AromaticContact CE1-CE1 2.9Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.47Å; H29-F156 AromaticContact CE1-CE2 3.55Å; H29-F156 AromaticContact CE1-CG 3.51Å; H29-F156 AromaticContact CE1-CZ 3.12Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.38Å; H29-F156 AromaticContact CG-CE1 3.45Å; H29-F156 VanDerWaalsContact CG-CE1 3.45Å; H29-F156 AromaticContact CG-CZ 3.84Å; H29-F156 AromaticContact ND1-CD1 3.74Å; H29-F156 AromaticContact ND1-CE1 3.03Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.24Å; H29-F156 AromaticContact ND1-CE2 3.78Å; H29-F156 AromaticContact ND1-CZ 3.02Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.34Å; H29-F156 AromaticContact NE2-CD1 3.2Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.38Å; H29-F156 AromaticContact NE2-CE1 3.32Å; H29-F156 VanDerWaalsContact NE2-CE1 3.32Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.32Å; H29-F156 AromaticContact NE2-CG 3.88Å; H29-F156 PolarHBondContact NE2-O 3.28Å; A150-F156 HydrophobicContact CB-CE2 4.26Å; N153-F156 HydrophobicContact CB-CB 4.4Å; N153-F156 WeakPolarHBondContact O-CB 3.12Å; N153-F156 PolarHBondContact O-N 3.47Å; Y154-F156 PolarHBondContact O-N 2.61Å; Y154-F156 VanDerWaalsContact O-N 3.13Å; F156-M181 HydrophobicContact CD1-CE 4.39Å; F156-M181 HydrophobicContact CD1-SD 3.3Å; F156-M181 WeakPolarHBondContact CD1-SD 3.33Å; F156-M181 HydrophobicContact CE1-SD 3.62Å; F156-M181 HydrophobicContact CG-SD 4.33Å
157	E	92.9	Very high	95.3	Very high	45 Å²	45	27.5 Å²	27.5	21%	0.21	12%	0.124	C	C	.	.	S	Bend	trans	-86.3	-22.1	-179.4	74.3	-68	157.1	0	0	114	N155 F160 L161 F175	N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.01Å; E157-F160 PolarHBondContact O-N 3.27Å; E157-F160 VanDerWaalsContact O-N 3.13Å; E157-L161 PolarHBondContact O-N 3.28Å; E157-F175 HydrophobicContact CB-CD2 4.18Å; E157-F175 HydrophobicContact CB-CE2 3.93Å; E157-F175 HydrophobicContact CG-CD2 4.36Å; E157-F175 HydrophobicContact CG-CE2 4.43Å
158	K	96.2	Very high	95.2	Very high	66 Å²	66	30.5 Å²	30.5	29%	0.287	14%	0.142	S	C	.	.	H	α-helix	trans	-56.3	-43.5	-173.8	-68.5	-169.6	178	167.1	0	113.7	Y146 N155 F160 L161 W162	Y146-K158 HydrophobicContact CD1-CB 3.98Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.05Å; Y146-K158 HydrophobicContact CE1-CB 3.92Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.45Å; Y146-K158 HydrophobicContact CE2-CB 3.96Å; Y146-K158 HydrophobicContact CG-CB 4.07Å; N155-K158 HydrophobicContact CB-CB 4.48Å; N155-K158 HydrophobicContact CB-CD 3.89Å; N155-K158 HydrophobicContact CB-CG 4.22Å; N155-K158 PolarHBondContact O-N 2.91Å; N155-K158 WeakPolarHBondContact OD1-CD 3.4Å; N155-K158 WeakPolarHBondContact OD1-CE 3.45Å; N155-K158 PolarHBondContact OD1-NZ 3.42Å; K158-F160 PolarHBondContact O-N 2.99Å; K158-L161 PolarHBondContact O-N 3.39Å; K158-W162 WeakPolarHBondContact O-CB 3.35Å; K158-W162 PolarHBondContact O-N 3.35Å
159	P	98.1	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.5	-46.1	176.2	-26.6	35.9	0	0	0	112.8	F25 I86 V117 C119 Y146 I148 N155 L163	F25-P159 HydrophobicContact CZ-CG 4.37Å; I86-P159 HydrophobicContact CD1-CB 3.84Å; I86-P159 HydrophobicContact CG1-CB 4.49Å; V117-P159 HydrophobicContact CB-CB 4.46Å; V117-P159 HydrophobicContact CG1-CB 4.02Å; V117-P159 HydrophobicContact CG1-CG 4.42Å; C119-P159 VanDerWaalsContact SG-CG 3.53Å; Y146-P159 HydrophobicContact CD2-CG 4.11Å; I148-P159 HydrophobicContact CG2-CG 4.26Å; N155-P159 VanDerWaalsContact O-CD 3.27Å; N155-P159 WeakPolarHBondContact O-CD 3.17Å; P159-L163 WeakPolarHBondContact O-CB 3.43Å; P159-L163 VanDerWaalsContact O-CG 3.24Å; P159-L163 WeakPolarHBondContact O-CG 3.5Å; P159-L163 PolarHBondContact O-N 3.49Å
160	F	97.5	Very high	95.3	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-67.9	-42.1	-178.4	-63.6	-76.4	0	0	0	112	L12 F25 H29 L49 F51 F60 V62 I86 E157 K158 L163 F164 F175	L12-F160 HydrophobicContact CD1-CD1 4.02Å; L12-F160 HydrophobicContact CD1-CE1 3.83Å; F25-F160 HydrophobicContact CD1-CZ 4.46Å; F25-F160 AromaticContact CE1-CE2 3.43Å; F25-F160 HydrophobicContact CE1-CE2 3.43Å; F25-F160 VanDerWaalsContact CE1-CE2 3.43Å; F25-F160 AromaticContact CE1-CZ 3.51Å; F25-F160 HydrophobicContact CE1-CZ 3.51Å; F25-F160 HydrophobicContact CE2-CE2 4.44Å; F25-F160 HydrophobicContact CZ-CD2 4.24Å; F25-F160 AromaticContact CZ-CE2 3.36Å; F25-F160 HydrophobicContact CZ-CE2 3.36Å; F25-F160 AromaticContact CZ-CZ 3.96Å; F25-F160 HydrophobicContact CZ-CZ 3.96Å; H29-F160 AromaticContact CD2-CE2 3.9Å; H29-F160 AromaticContact CE1-CE2 3.25Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.05Å; H29-F160 AromaticContact ND1-CE2 3.8Å; H29-F160 AromaticContact NE2-CD2 3.61Å; H29-F160 AromaticContact NE2-CE2 3.28Å; H29-F160 VanDerWaalsContact NE2-CE2 3.28Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.38Å; L49-F160 HydrophobicContact CD1-CE1 4Å; L49-F160 HydrophobicContact CD1-CZ 3.84Å; F51-F160 HydrophobicContact CE1-CB 3.96Å; F51-F160 HydrophobicContact CE1-CD2 4.21Å; F51-F160 HydrophobicContact CE1-CG 4.02Å; F51-F160 HydrophobicContact CE2-CB 4.41Å; F51-F160 AromaticContact CE2-CD1 3.97Å; F51-F160 HydrophobicContact CE2-CD1 3.97Å; F51-F160 HydrophobicContact CE2-CE1 4.41Å; F51-F160 HydrophobicContact CE2-CG 4.17Å; F51-F160 HydrophobicContact CZ-CB 3.82Å; F51-F160 AromaticContact CZ-CD1 3.68Å; F51-F160 HydrophobicContact CZ-CD1 3.68Å; F51-F160 AromaticContact CZ-CD2 3.82Å; F51-F160 HydrophobicContact CZ-CD2 3.82Å; F51-F160 HydrophobicContact CZ-CE1 4.12Å; F51-F160 HydrophobicContact CZ-CE2 4.28Å; F51-F160 AromaticContact CZ-CG 3.48Å; F51-F160 HydrophobicContact CZ-CG 3.48Å; F51-F160 VanDerWaalsContact CZ-CG 3.48Å; F51-F160 HydrophobicContact CZ-CZ 4.4Å; F60-F160 HydrophobicContact CD2-CB 4.48Å; F60-F160 AromaticContact CD2-CD1 3.46Å; F60-F160 HydrophobicContact CD2-CD1 3.46Å; F60-F160 VanDerWaalsContact CD2-CD1 3.46Å; F60-F160 HydrophobicContact CD2-CE1 4.16Å; F60-F160 HydrophobicContact CD2-CG 4.42Å; F60-F160 HydrophobicContact CE2-CB 4.07Å; F60-F160 AromaticContact CE2-CD1 3.72Å; F60-F160 HydrophobicContact CE2-CD1 3.72Å; F60-F160 HydrophobicContact CE2-CG 4.4Å; F60-F160 HydrophobicContact CG-CD1 4.35Å; V62-F160 HydrophobicContact CG2-CE1 4.29Å; I86-F160 HydrophobicContact CD1-CE1 4.42Å; I86-F160 HydrophobicContact CD1-CZ 4.43Å; E157-F160 PolarHBondContact O-N 3.27Å; E157-F160 VanDerWaalsContact O-N 3.13Å; K158-F160 PolarHBondContact O-N 2.99Å; F160-L163 PolarHBondContact O-N 3.09Å; F160-F164 VanDerWaalsContact O-CD2 3.32Å; F160-F164 WeakPolarHBondContact O-CD2 3.46Å; F160-F164 PolarHBondContact O-N 3.24Å; F160-F175 HydrophobicContact CB-CZ 4.01Å
161	L	97.5	Very high	95.5	Very high	29 Å²	29	38.6 Å²	38.6	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-47.2	178.6	-175.6	58	0	0	0	111.3	E157 K158 L163 F164 R165 L173 F175	E157-L161 PolarHBondContact O-N 3.28Å; K158-L161 PolarHBondContact O-N 3.39Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-L163 PolarHBondContact O-N 2.88Å; L161-F164 PolarHBondContact O-N 3.09Å; L161-R165 WeakPolarHBondContact O-CG 3.37Å; L161-R165 PolarHBondContact O-N 3.2Å; L161-L173 HydrophobicContact CD1-CD2 3.64Å; L161-L173 WeakPolarHBondContact CD1-O 3.29Å; L161-F175 HydrophobicContact CB-CD2 4.29Å; L161-F175 HydrophobicContact CB-CE2 3.61Å; L161-F175 HydrophobicContact CB-CZ 3.85Å; L161-F175 HydrophobicContact CD1-CD1 4.3Å; L161-F175 HydrophobicContact CD1-CD2 4.24Å; L161-F175 HydrophobicContact CD1-CE1 4.18Å; L161-F175 HydrophobicContact CD1-CE2 4.15Å; L161-F175 HydrophobicContact CD1-CG 4.31Å; L161-F175 HydrophobicContact CD1-CZ 4.12Å; L161-F175 HydrophobicContact CG-CE2 4.37Å
162	W	98.4	Very high	95.8	Very high	43 Å²	43	41.2 Å²	41.2	16%	0.163	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-43.2	177.7	-174.8	97.4	0	0	0	111.7	P115 V117 Q144 Y146 K158 R165 K166	P115-W162 HydrophobicContact CB-CH2 4.32Å; P115-W162 HydrophobicContact CB-CZ3 3.83Å; V117-W162 HydrophobicContact CG2-CD2 4.25Å; V117-W162 HydrophobicContact CG2-CE3 3.43Å; V117-W162 VanDerWaalsContact CG2-CE3 3.43Å; V117-W162 HydrophobicContact CG2-CZ3 3.83Å; Q144-W162 HydrophobicContact CB-CD2 3.69Å; Q144-W162 VanDerWaalsContact CB-CE2 3.42Å; Q144-W162 HydrophobicContact CB-CE3 4.06Å; Q144-W162 HydrophobicContact CB-CG 4.19Å; Q144-W162 HydrophobicContact CB-CH2 3.96Å; Q144-W162 HydrophobicContact CB-CZ2 3.58Å; Q144-W162 HydrophobicContact CB-CZ3 4.18Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.86Å; Q144-W162 HydrophobicContact CG-CZ2 4.46Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.1Å; Y146-W162 HydrophobicContact CE2-CB 4.1Å; K158-W162 WeakPolarHBondContact O-CB 3.35Å; K158-W162 PolarHBondContact O-N 3.35Å; W162-R165 PolarHBondContact O-N 2.92Å; W162-K166 HydrophobicContact CD2-CG 3.99Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.43Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.16Å; W162-K166 HydrophobicContact CZ2-CG 3.79Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 3.35Å; W162-K166 PolarHBondContact O-N 3.2Å
163	L	98.5	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-45.8	177.1	-74.7	175.9	0	0	0	112	L12 F60 C84 I86 P115 V117 P159 F160 L161 R165 K166 L167	L12-L163 HydrophobicContact CD1-CD1 3.55Å; L12-L163 HydrophobicContact CG-CD1 4.35Å; F60-L163 HydrophobicContact CE1-CB 4.48Å; F60-L163 HydrophobicContact CE2-CB 4.45Å; F60-L163 HydrophobicContact CZ-CB 3.74Å; C84-L163 HydrophobicContact CB-CD1 4.3Å; C84-L163 HydrophobicContact CB-CD2 3.69Å; C84-L163 HydrophobicContact CB-CG 4.46Å; I86-L163 HydrophobicContact CD1-CD1 4.28Å; I86-L163 HydrophobicContact CG1-CD1 3.94Å; P115-L163 HydrophobicContact CB-CD2 3.79Å; V117-L163 HydrophobicContact CG2-CD1 4.23Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.72Å; P159-L163 WeakPolarHBondContact O-CB 3.43Å; P159-L163 VanDerWaalsContact O-CG 3.24Å; P159-L163 WeakPolarHBondContact O-CG 3.5Å; P159-L163 PolarHBondContact O-N 3.49Å; F160-L163 PolarHBondContact O-N 3.09Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-L163 PolarHBondContact O-N 2.88Å; L163-R165 PolarHBondContact O-N 3.06Å; L163-K166 PolarHBondContact O-N 3.24Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CD1 3.48Å; L163-L167 VanDerWaalsContact O-CG 3.23Å; L163-L167 WeakPolarHBondContact O-CG 3.25Å; L163-L167 PolarHBondContact O-N 2.85Å
164	F	97.7	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.5	176.2	-78.3	-49.8	0	0	0	112.4	F10 F51 M58 F60 F160 L161 K166 L167 V168 L173 F175	F10-F164 HydrophobicContact CD2-CD1 4.44Å; F10-F164 HydrophobicContact CD2-CE1 4.06Å; F10-F164 HydrophobicContact CE2-CD1 4.49Å; F10-F164 HydrophobicContact CE2-CE1 4.36Å; F51-F164 HydrophobicContact CB-CE2 3.7Å; F51-F164 HydrophobicContact CB-CZ 4.25Å; F51-F164 HydrophobicContact CD1-CE2 4.45Å; F51-F164 AromaticContact CD2-CE2 3.55Å; F51-F164 HydrophobicContact CD2-CE2 3.55Å; F51-F164 AromaticContact CD2-CZ 3.81Å; F51-F164 HydrophobicContact CD2-CZ 3.81Å; F51-F164 HydrophobicContact CE2-CE2 4.27Å; F51-F164 AromaticContact CG-CE2 3.66Å; F51-F164 HydrophobicContact CG-CE2 3.66Å; F51-F164 HydrophobicContact CG-CZ 4.28Å; M58-F164 HydrophobicContact CB-CD1 4.28Å; M58-F164 HydrophobicContact CB-CE1 3.61Å; M58-F164 HydrophobicContact CB-CE2 4.48Å; M58-F164 HydrophobicContact CB-CZ 3.71Å; M58-F164 HydrophobicContact CE-CD1 3.36Å; M58-F164 HydrophobicContact CE-CE1 3.72Å; M58-F164 HydrophobicContact CE-CG 4.21Å; M58-F164 HydrophobicContact SD-CD1 4.01Å; M58-F164 HydrophobicContact SD-CE1 4.3Å; M58-F164 HydrophobicContact SD-CG 4.4Å; F60-F164 HydrophobicContact CD1-CE1 4.36Å; F60-F164 HydrophobicContact CD2-CD2 4.45Å; F60-F164 AromaticContact CD2-CE1 3.83Å; F60-F164 HydrophobicContact CD2-CE1 3.83Å; F60-F164 AromaticContact CD2-CE2 3.68Å; F60-F164 HydrophobicContact CD2-CE2 3.68Å; F60-F164 AromaticContact CD2-CZ 3.32Å; F60-F164 HydrophobicContact CD2-CZ 3.32Å; F60-F164 HydrophobicContact CE1-CD1 4.21Å; F60-F164 AromaticContact CE1-CE1 3.92Å; F60-F164 HydrophobicContact CE1-CE1 3.92Å; F60-F164 HydrophobicContact CE1-CZ 4.41Å; F60-F164 AromaticContact CE2-CD1 3.71Å; F60-F164 HydrophobicContact CE2-CD1 3.71Å; F60-F164 AromaticContact CE2-CD2 3.56Å; F60-F164 HydrophobicContact CE2-CD2 3.56Å; F60-F164 AromaticContact CE2-CE1 3.37Å; F60-F164 HydrophobicContact CE2-CE1 3.37Å; F60-F164 AromaticContact CE2-CE2 3.22Å; F60-F164 HydrophobicContact CE2-CE2 3.22Å; F60-F164 AromaticContact CE2-CG 3.81Å; F60-F164 HydrophobicContact CE2-CG 3.81Å; F60-F164 AromaticContact CE2-CZ 3.13Å; F60-F164 HydrophobicContact CE2-CZ 3.13Å; F60-F164 HydrophobicContact CG-CE1 4.32Å; F60-F164 HydrophobicContact CG-CZ 4.1Å; F60-F164 AromaticContact CZ-CD1 3.47Å; F60-F164 HydrophobicContact CZ-CD1 3.47Å; F60-F164 VanDerWaalsContact CZ-CD1 3.47Å; F60-F164 HydrophobicContact CZ-CD2 4.08Å; F60-F164 AromaticContact CZ-CE1 3.41Å; F60-F164 HydrophobicContact CZ-CE1 3.41Å; F60-F164 VanDerWaalsContact CZ-CE1 3.41Å; F60-F164 HydrophobicContact CZ-CE2 4.04Å; F60-F164 AromaticContact CZ-CG 3.83Å; F60-F164 HydrophobicContact CZ-CG 3.83Å; F60-F164 AromaticContact CZ-CZ 3.73Å; F60-F164 HydrophobicContact CZ-CZ 3.73Å; F160-F164 VanDerWaalsContact O-CD2 3.32Å; F160-F164 WeakPolarHBondContact O-CD2 3.46Å; F160-F164 PolarHBondContact O-N 3.24Å; L161-F164 PolarHBondContact O-N 3.09Å; F164-K166 VanDerWaalsContact C-N 3.25Å; F164-K166 PolarHBondContact O-N 3.03Å; F164-L167 PolarHBondContact O-N 3.21Å; F164-V168 WeakPolarHBondContact O-CB 3.2Å; F164-V168 WeakPolarHBondContact O-CG2 3.24Å; F164-V168 PolarHBondContact O-N 2.74Å; F164-L173 HydrophobicContact CB-CD1 4.2Å; F164-L173 HydrophobicContact CB-CD2 3.96Å; F164-F175 AromaticContact CD2-CE1 3.68Å; F164-F175 HydrophobicContact CD2-CE1 3.68Å; F164-F175 AromaticContact CD2-CZ 3.95Å; F164-F175 HydrophobicContact CD2-CZ 3.95Å; F164-F175 AromaticContact CE2-CE1 3.91Å; F164-F175 HydrophobicContact CE2-CE1 3.91Å; F164-F175 HydrophobicContact CE2-CZ 4.24Å
165	R	98.1	Very high	96.5	Very high	79 Å²	79	45.2 Å²	45.2	30%	0.298	24%	0.238	S	C	.	.	H	α-helix	trans	-55.2	-43	175.7	-72.4	173.2	173.3	177.3	-5.9	111.6	L161 W162 L163 G169 D170 P171 L173	L161-R165 WeakPolarHBondContact O-CG 3.37Å; L161-R165 PolarHBondContact O-N 3.2Å; W162-R165 PolarHBondContact O-N 2.92Å; L163-R165 PolarHBondContact O-N 3.06Å; R165-G169 WeakPolarHBondContact O-CA 3.23Å; R165-G169 PolarHBondContact O-N 2.97Å; R165-D170 WeakPolarHBondContact CA-O 2.82Å; R165-D170 WeakPolarHBondContact CG-O 3.33Å; R165-D170 PolarHBondContact O-N 3.16Å; R165-P171 PolarHBondContact NE-O 3.08Å; R165-L173 HydrophobicContact CG-CB 4.01Å; R165-L173 VanDerWaalsContact CZ-O 3.28Å; R165-L173 PolarHBondContact NE-O 3.19Å; R165-L173 PolarHBondContact NH2-O 3.37Å
166	K	97.9	Very high	96.5	Very high	123 Å²	123	48.3 Å²	48.3	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-69.7	-42.3	176.9	-70.3	-62.1	-173.2	-179.2	0	113.4	P115 W162 L163 F164	P115-K166 HydrophobicContact CB-CB 3.93Å; P115-K166 HydrophobicContact CB-CG 4.43Å; P115-K166 HydrophobicContact CG-CB 3.85Å; W162-K166 HydrophobicContact CD2-CG 3.99Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.43Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.16Å; W162-K166 HydrophobicContact CZ2-CG 3.79Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 3.35Å; W162-K166 PolarHBondContact O-N 3.2Å; L163-K166 PolarHBondContact O-N 3.24Å; F164-K166 VanDerWaalsContact C-N 3.25Å; F164-K166 PolarHBondContact O-N 3.03Å
167	L	97.2	Very high	96.1	Very high	37 Å²	37	53.9 Å²	53.9	19%	0.194	28%	0.284	C	S	.	.	H	α-helix	trans	-71.8	-35.2	-177.4	-72.2	165.4	0	0	0	112.9	F10 F60 R83 C84 P115 L163 F164	F10-L167 HydrophobicContact CB-CD1 4.14Å; F10-L167 HydrophobicContact CD1-CB 4.34Å; F10-L167 HydrophobicContact CD1-CD1 3.97Å; F10-L167 HydrophobicContact CD1-CD2 4.13Å; F10-L167 HydrophobicContact CD1-CG 4.39Å; F10-L167 HydrophobicContact CD2-CD1 4.4Å; F10-L167 HydrophobicContact CE1-CB 4.08Å; F10-L167 HydrophobicContact CE1-CD2 4.46Å; F10-L167 HydrophobicContact CG-CD1 3.9Å; F10-L167 HydrophobicContact CZ-CB 4.37Å; F60-L167 HydrophobicContact CE1-CD1 3.59Å; F60-L167 HydrophobicContact CZ-CD1 3.97Å; R83-L167 HydrophobicContact CB-CD2 4.27Å; R83-L167 WeakPolarHBondContact O-CD2 3.32Å; C84-L167 HydrophobicContact CB-CD1 4.06Å; C84-L167 HydrophobicContact CB-CD2 4.44Å; P115-L167 HydrophobicContact CG-CD2 4.27Å; P115-L167 HydrophobicContact CG-CG 4.49Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CD1 3.48Å; L163-L167 VanDerWaalsContact O-CG 3.23Å; L163-L167 WeakPolarHBondContact O-CG 3.25Å; L163-L167 PolarHBondContact O-N 2.85Å; F164-L167 PolarHBondContact O-N 3.21Å
168	V	96	Very high	95.1	Very high	64 Å²	64	57.9 Å²	57.9	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-85.8	-24.6	178.4	179.3	0	0	0	0	111.6	M58 F164 D170 L173	M58-V168 HydrophobicContact CE-CG2 3.24Å; M58-V168 HydrophobicContact SD-CG2 4.07Å; F164-V168 WeakPolarHBondContact O-CB 3.2Å; F164-V168 WeakPolarHBondContact O-CG2 3.24Å; F164-V168 PolarHBondContact O-N 2.74Å; V168-D170 VanDerWaalsContact C-N 3.32Å; V168-D170 HydrophobicContact CG1-CB 4.03Å; V168-L173 HydrophobicContact CB-CD1 4.33Å; V168-L173 HydrophobicContact CG1-CD1 4.48Å; V168-L173 HydrophobicContact CG2-CD1 4.05Å
169	G	96.8	Very high	93.7	Very high	63 Å²	63	56.3 Å²	56.3	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	21.4	-173.2	0	0	0	0	0	113.3	R165	R165-G169 WeakPolarHBondContact O-CA 3.23Å; R165-G169 PolarHBondContact O-N 2.97Å
170	D	97	Very high	92.2	Very high	19 Å²	19	61.2 Å²	61.2	10%	0.102	34%	0.341	C	S	.	.			trans	-116.3	104	178	-175.4	0.1	0	0	0	110.6	R55 R165 V168 N172 L173	R55-D170 IonicContact CZ-OD2 3.53Å; R55-D170 IonicContact NE-OD2 3.71Å; R55-D170 PolarHBondContact NE-OD2 2.62Å; R55-D170 IonicContact NH2-OD2 3.47Å; R55-D170 PolarHBondContact NH2-OD2 2.83Å; R165-D170 WeakPolarHBondContact CA-O 2.82Å; R165-D170 WeakPolarHBondContact CG-O 3.33Å; R165-D170 PolarHBondContact O-N 3.16Å; V168-D170 VanDerWaalsContact C-N 3.32Å; V168-D170 HydrophobicContact CG1-CB 4.03Å; D170-N172 PolarHBondContact O-N 2.68Å; D170-N172 WeakPolarHBondContact OD1-CA 3.46Å; D170-N172 WeakPolarHBondContact OD1-CB 3.33Å; D170-N172 PolarHBondContact OD1-N 2.69Å; D170-L173 HydrophobicContact CB-CB 4.35Å; D170-L173 WeakPolarHBondContact O-CB 3.29Å; D170-L173 PolarHBondContact O-N 2.77Å
171	P	96.6	Very high	90.8	Very high	91 Å²	91	63.4 Å²	63.4	59%	0.591	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.6	178.1	28.5	-34.4	0	0	0	113.4	R165	R165-P171 PolarHBondContact NE-O 3.08Å
172	N	97.2	Very high	89.5	Confident	119 Å²	119	66.7 Å²	66.7	64%	0.636	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	5.1	-179.4	-55.7	-50.4	0	0	0	112.7	D170 E174	D170-N172 PolarHBondContact O-N 2.68Å; D170-N172 WeakPolarHBondContact OD1-CA 3.46Å; D170-N172 WeakPolarHBondContact OD1-CB 3.33Å; D170-N172 PolarHBondContact OD1-N 2.69Å; N172-E174 PolarHBondContact O-N 2.94Å
173	L	96.9	Very high	88.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.393	C	S	.	.			trans	-61.7	132.4	173.2	-175.9	153.9	0	0	0	109.4	T53 R55 M58 L161 F164 R165 V168 D170	T53-L173 HydrophobicContact CG2-CD1 4.46Å; T53-L173 HydrophobicContact CG2-CD2 3.92Å; T53-L173 HydrophobicContact CG2-CG 4.39Å; R55-L173 HydrophobicContact CB-CD1 4.5Å; R55-L173 HydrophobicContact CG-CD1 4.21Å; M58-L173 HydrophobicContact SD-CD1 3.92Å; L161-L173 HydrophobicContact CD1-CD2 3.64Å; L161-L173 WeakPolarHBondContact CD1-O 3.29Å; F164-L173 HydrophobicContact CB-CD1 4.2Å; F164-L173 HydrophobicContact CB-CD2 3.96Å; R165-L173 HydrophobicContact CG-CB 4.01Å; R165-L173 VanDerWaalsContact CZ-O 3.28Å; R165-L173 PolarHBondContact NE-O 3.19Å; R165-L173 PolarHBondContact NH2-O 3.37Å; V168-L173 HydrophobicContact CB-CD1 4.33Å; V168-L173 HydrophobicContact CG1-CD1 4.48Å; V168-L173 HydrophobicContact CG2-CD1 4.05Å; D170-L173 HydrophobicContact CB-CB 4.35Å; D170-L173 WeakPolarHBondContact O-CB 3.29Å; D170-L173 PolarHBondContact O-N 2.77Å
174	E	96.4	Very high	87.3	Confident	113 Å²	113	72.1 Å²	72.1	53%	0.528	41%	0.408	S	S	.	.			trans	-132.7	154.8	177.8	-68	-176.7	170.3	0	0	110	T53 T54 N172	T53-E174 CarbonylContact C-O 3.6Å; T53-E174 WeakPolarHBondContact CA-O 3.42Å; T53-E174 WeakPolarHBondContact CB-O 3.43Å; T54-E174 HydrophobicContact CG2-CB 3.98Å; T54-E174 PolarHBondContact N-O 2.93Å; T54-E174 PolarHBondContact OG1-N 3.41Å; N172-E174 PolarHBondContact O-N 2.94Å
175	F	94.9	Very high	86.2	Confident	38 Å²	38	76.1 Å²	76.1	17%	0.167	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-78.1	128	167.7	-64	-39.7	0	0	0	109.4	F51 H52 T53 E157 F160 L161 F164	F51-F175 HydrophobicContact CB-CD1 4.14Å; F51-F175 HydrophobicContact CB-CE1 3.74Å; F51-F175 HydrophobicContact CB-CZ 4.46Å; F51-F175 HydrophobicContact CD1-CD1 4.3Å; F51-F175 AromaticContact CD1-CE1 3.7Å; F51-F175 HydrophobicContact CD1-CE1 3.7Å; F51-F175 HydrophobicContact CD1-CE2 4.12Å; F51-F175 AromaticContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CD1-CZ 3.6Å; F51-F175 HydrophobicContact CE1-CE2 4.44Å; F51-F175 HydrophobicContact CE1-CZ 4.1Å; F51-F175 AromaticContact CG-CE1 3.96Å; F51-F175 HydrophobicContact CG-CE1 3.96Å; F51-F175 HydrophobicContact CG-CZ 4.2Å; H52-F175 WeakPolarHBondContact O-CA 3.12Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.14Å; E157-F175 HydrophobicContact CB-CD2 4.18Å; E157-F175 HydrophobicContact CB-CE2 3.93Å; E157-F175 HydrophobicContact CG-CD2 4.36Å; E157-F175 HydrophobicContact CG-CE2 4.43Å; F160-F175 HydrophobicContact CB-CZ 4.01Å; L161-F175 HydrophobicContact CB-CD2 4.29Å; L161-F175 HydrophobicContact CB-CE2 3.61Å; L161-F175 HydrophobicContact CB-CZ 3.85Å; L161-F175 HydrophobicContact CD1-CD1 4.3Å; L161-F175 HydrophobicContact CD1-CD2 4.24Å; L161-F175 HydrophobicContact CD1-CE1 4.18Å; L161-F175 HydrophobicContact CD1-CE2 4.15Å; L161-F175 HydrophobicContact CD1-CG 4.31Å; L161-F175 HydrophobicContact CD1-CZ 4.12Å; L161-F175 HydrophobicContact CG-CE2 4.37Å; F164-F175 AromaticContact CD2-CE1 3.68Å; F164-F175 HydrophobicContact CD2-CE1 3.68Å; F164-F175 AromaticContact CD2-CZ 3.95Å; F164-F175 HydrophobicContact CD2-CZ 3.95Å; F164-F175 AromaticContact CE2-CE1 3.91Å; F164-F175 HydrophobicContact CE2-CE1 3.91Å; F164-F175 HydrophobicContact CE2-CZ 4.24Å
176	V	93.2	Very high	85.3	Confident	85 Å²	85	75.4 Å²	75.4	52%	0.515	43%	0.428	S	S	.	.	S	Bend	trans	-91.1	-19.5	178.5	-64.6	0	0	0	0	112.3	H52 T54	H52-V176 HydrophobicContact CB-CG2 3.69Å; H52-V176 WeakPolarHBondContact O-CG2 3.5Å; H52-V176 PolarHBondContact O-N 3.34Å; T54-V176 HydrophobicContact CG2-CG1 3.71Å
177	E	83.3	Confident	84.5	Confident	116 Å²	116	77.6 Å²	77.6	54%	0.542	44%	0.44	S	S	.	.	S	Bend	trans	-136.2	134.8	174.4	-65.3	174.7	178.2	0	0	108.4	H52	H52-E177 HydrophobicContact CB-CB 4.28Å; H52-E177 HydrophobicContact CB-CG 4.48Å; H52-E177 IonicContact CE1-OE2 2.61Å; H52-E177 IonicContact CG-OE2 3.16Å; H52-E177 IonicContact ND1-OE2 2.73Å; H52-E177 PolarHBondContact ND1-OE2 3.31Å
178	M	72.2	Confident	83.8	Confident	130 Å²	130	76.8 Å²	76.8	64%	0.64	44%	0.435	S	S	*	.			trans	-77.4	140.2	168.4	-62.1	-168.5	92.1	0	0	108.9	A180 M181	M178-A180 PolarHBondContact O-N 3.48Å; M178-M181 HydrophobicContact CE-CE 4.38Å
179	P	66.4	Low	83.5	Confident	33 Å²	33	78.1 Å²	78.1	21%	0.214	44%	0.441	C	S	.	.			trans	-52.3	140.2	168.4	-22.4	32.1	0	0	0	109.9	F51 M181	F51-P179 HydrophobicContact CD1-CG 4.44Å; F51-P179 HydrophobicContact CE1-CG 4.31Å; P179-M181 VanDerWaalsContact C-N 3.28Å; P179-M181 PolarHBondContact O-N 3.04Å
180	A	65.7	Low	83.1	Confident	103 Å²	103	79.3 Å²	79.3	85%	0.851	44%	0.437	S	S	*	.			trans	-65.9	87.6	177.3	0	0	0	0	0	110.1	M178	M178-A180 PolarHBondContact O-N 3.48Å
181	M	68.7	Low	82.8	Confident	47 Å²	47	86.4 Å²	86.4	23%	0.232	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-91.5	138.4	177.2	-68.9	-176.8	-80.6	0	0	110.1	N153 F156 M178 P179	N153-M181 HydrophobicContact CB-SD 4.22Å; F156-M181 HydrophobicContact CD1-CE 4.39Å; F156-M181 HydrophobicContact CD1-SD 3.3Å; F156-M181 WeakPolarHBondContact CD1-SD 3.33Å; F156-M181 HydrophobicContact CE1-SD 3.62Å; F156-M181 HydrophobicContact CG-SD 4.33Å; M178-M181 HydrophobicContact CE-CE 4.38Å; P179-M181 VanDerWaalsContact C-N 3.28Å; P179-M181 PolarHBondContact O-N 3.04Å
182	Q	70.2	Confident	82.4	Confident	97 Å²	97	83.5 Å²	83.5	45%	0.453	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-64.5	152	166.4	-65.9	-170.5	-1.1	0	0	109.6	G32 N153	G32-Q182 WeakPolarHBondContact O-CB 3.49Å; G32-Q182 PolarHBondContact O-N 3.02Å; N153-Q182 PolarHBondContact ND2-O 2.61Å
183	P	74.3	Confident	82	Confident	109 Å²	109	79 Å²	79	71%	0.708	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-47.7	146.4	173.6	-27.5	34.6	0	0	0	111.8	R28	R28-P183 PolarHBondContact NH2-O 3.27Å
184	P	76.4	Confident	81.7	Confident	49 Å²	49	87 Å²	87	32%	0.318	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-60.8	142	179.6	27.8	-35.5	0	0	0	110.7	S152 I186 Q187	S152-P184 WeakPolarHBondContact O-CB 3.18Å; P184-I186 WeakPolarHBondContact CB-O 3.34Å; P184-I186 PolarHBondContact O-N 3.28Å; P184-Q187 HydrophobicContact CG-CG 4.24Å
185	E	74.5	Confident	81.5	Confident	83 Å²	83	85 Å²	85	39%	0.388	44%	0.44	S	S	.	.	S	Bend	trans	-69.1	-22.8	175.4	-68.3	-159.9	158.8	0	0	111.7	F34 K36 K151	F34-E185 HydrophobicContact CB-CG 3.93Å; F34-E185 VanDerWaalsContact CD1-CD 3.44Å; F34-E185 HydrophobicContact CD1-CG 4.31Å; F34-E185 VanDerWaalsContact CD1-OE2 3.23Å; F34-E185 WeakPolarHBondContact CD1-OE2 3.26Å; F34-E185 HydrophobicContact CG-CG 4.34Å; K36-E185 WeakPolarHBondContact CE-OE1 3.37Å; K36-E185 WeakPolarHBondContact CE-OE2 3.49Å; K36-E185 IonicContact NZ-OE1 2.73Å; K36-E185 PolarHBondContact NZ-OE1 3.31Å; K36-E185 IonicContact NZ-OE2 3.29Å; K151-E185 HydrophobicContact CG-CB 4.3Å; K151-E185 PolarHBondContact O-N 2.86Å
186	I	80.2	Confident	81.3	Confident	65 Å²	65	83.4 Å²	83.4	33%	0.333	43%	0.433	S	S	.	.	S	Bend	trans	-144.6	138.7	177.8	-164.5	168.9	0	0	0	108.8	D124 K151 S152 P184	D124-I186 HydrophobicContact CB-CG2 4.15Å; K151-I186 HydrophobicContact CB-CG2 4.35Å; K151-I186 HydrophobicContact CD-CG2 3.83Å; K151-I186 HydrophobicContact CG-CG2 3.84Å; S152-I186 WeakPolarHBondContact CA-O 3.34Å; S152-I186 WeakPolarHBondContact CB-O 3.43Å; P184-I186 WeakPolarHBondContact CB-O 3.34Å; P184-I186 PolarHBondContact O-N 3.28Å
187	Q	81	Confident	81.2	Confident	168 Å²	168	83.6 Å²	83.6	79%	0.785	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-90.4	130.3	167.8	-66.5	-179.1	-8.8	0	0	108.3	P184	P184-Q187 HydrophobicContact CG-CG 4.24Å
188	I	82.9	Confident	81.6	Confident	20 Å²	20	83.9 Å²	83.9	10%	0.103	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-70.7	134.7	168.7	-54.7	-172.1	0	0	0	107.2	V123 D124 S152 Y154 P190 L192 V193	V123-I188 HydrophobicContact CG2-CD1 3.75Å; D124-I188 HydrophobicContact CB-CD1 4.02Å; D124-I188 HydrophobicContact CB-CG1 3.93Å; S152-I188 VanDerWaalsContact OG-CD1 3.23Å; S152-I188 WeakPolarHBondContact OG-CD1 3.45Å; S152-I188 VanDerWaalsContact OG-CG1 3.31Å; S152-I188 WeakPolarHBondContact OG-CG1 3.13Å; Y154-I188 HydrophobicContact CD1-CD1 4.2Å; Y154-I188 HydrophobicContact CG-CD1 3.99Å; I188-P190 WeakPolarHBondContact O-CD 3.44Å; I188-L192 HydrophobicContact CG2-CB 4.34Å; I188-L192 HydrophobicContact CG2-CD2 4.14Å; I188-L192 HydrophobicContact CG2-CG 4.48Å; I188-V193 HydrophobicContact CB-CG2 3.97Å; I188-V193 HydrophobicContact CG2-CG2 3.66Å
189	D	88.1	Confident	82.6	Confident	93 Å²	93	80.1 Å²	80.1	50%	0.497	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-51.6	121.1	173.1	-176.7	-17.6	0	0	0	109.9	Y191 L192 V193	D189-Y191 PolarHBondContact O-N 2.78Å; D189-Y191 VanDerWaalsContact O-N 3.13Å; D189-Y191 WeakPolarHBondContact OD1-CB 3.32Å; D189-Y191 PolarHBondContact OD1-N 3.28Å; D189-L192 HydrophobicContact CB-CB 4.03Å; D189-L192 WeakPolarHBondContact O-CA 2.97Å; D189-L192 WeakPolarHBondContact O-CB 3.48Å; D189-L192 PolarHBondContact O-N 3.32Å; D189-V193 PolarHBondContact O-N 2.96Å
190	P	88.9	Confident	83.7	Confident	88 Å²	88	80.8 Å²	80.8	57%	0.571	41%	0.412	S	S	*	.	H	α-helix	trans	-55.3	-29.2	178.2	-26.7	35.1	0	0	0	114	I188 R194	I188-P190 WeakPolarHBondContact O-CD 3.44Å; P190-R194 WeakPolarHBondContact O-CG 3.41Å; P190-R194 PolarHBondContact O-N 3.06Å; P190-R194 VanDerWaalsContact O-N 3.14Å
191	Y	90.4	Very high	84.9	Confident	167 Å²	167	81 Å²	81	66%	0.655	40%	0.396	S	S	*	.	H	α-helix	trans	-65	-44	173.7	179.6	-95	0	0	0	111.2	D189 R194 Q195	D189-Y191 PolarHBondContact O-N 2.78Å; D189-Y191 VanDerWaalsContact O-N 3.13Å; D189-Y191 WeakPolarHBondContact OD1-CB 3.32Å; D189-Y191 PolarHBondContact OD1-N 3.28Å; Y191-R194 PolarHBondContact O-N 3.23Å; Y191-Q195 PolarHBondContact O-N 2.84Å
192	L	89	Confident	86.1	Confident	30 Å²	30	84.9 Å²	84.9	16%	0.157	42%	0.415	C	S	.	.	H	α-helix	trans	-66	-38.9	178.3	-172.4	63.5	0	0	0	111.8	I188 D189 Q195 Y196	I188-L192 HydrophobicContact CG2-CB 4.34Å; I188-L192 HydrophobicContact CG2-CD2 4.14Å; I188-L192 HydrophobicContact CG2-CG 4.48Å; D189-L192 HydrophobicContact CB-CB 4.03Å; D189-L192 WeakPolarHBondContact O-CA 2.97Å; D189-L192 WeakPolarHBondContact O-CB 3.48Å; D189-L192 PolarHBondContact O-N 3.32Å; L192-Q195 PolarHBondContact O-N 3.22Å; L192-Y196 HydrophobicContact CD1-CD1 4.4Å; L192-Y196 HydrophobicContact CD1-CE1 3.74Å; L192-Y196 HydrophobicContact CD1-CE2 3.95Å; L192-Y196 VanDerWaalsContact CD1-CZ 3.49Å; L192-Y196 HydrophobicContact CD2-CE2 3.84Å; L192-Y196 HydrophobicContact CG-CD2 4.1Å; L192-Y196 HydrophobicContact CG-CE1 4.24Å; L192-Y196 HydrophobicContact CG-CE2 3.5Å; L192-Y196 WeakPolarHBondContact O-CD2 3.32Å; L192-Y196 PolarHBondContact O-N 3Å
193	V	88.3	Confident	87	Confident	25 Å²	25	81.3 Å²	81.3	15%	0.152	40%	0.401	C	S	.	.	H	α-helix	trans	-56.8	-52.6	173.1	170	0	0	0	0	110.7	Y154 I188 D189 Q195 Y196 E197	Y154-V193 HydrophobicContact CD2-CG1 4.47Å; Y154-V193 HydrophobicContact CD2-CG2 4.24Å; Y154-V193 HydrophobicContact CE2-CB 4.36Å; Y154-V193 HydrophobicContact CE2-CG1 3.51Å; Y154-V193 HydrophobicContact CE2-CG2 3.97Å; I188-V193 HydrophobicContact CB-CG2 3.97Å; I188-V193 HydrophobicContact CG2-CG2 3.66Å; D189-V193 PolarHBondContact O-N 2.96Å; V193-Q195 VanDerWaalsContact C-N 3.29Å; V193-Q195 PolarHBondContact O-N 3.23Å; V193-Y196 PolarHBondContact O-N 3.2Å; V193-E197 WeakPolarHBondContact O-CG 3.48Å; V193-E197 PolarHBondContact O-N 2.94Å
194	R	91.1	Very high	87.7	Confident	169 Å²	169	78.3 Å²	78.3	64%	0.638	39%	0.386	S	S	*	.	H	α-helix	trans	-59.9	-40.6	178.8	-72	176.9	-176	173.7	2.6	112	P190 Y191 E197 Q198	P190-R194 WeakPolarHBondContact O-CG 3.41Å; P190-R194 PolarHBondContact O-N 3.06Å; P190-R194 VanDerWaalsContact O-N 3.14Å; Y191-R194 PolarHBondContact O-N 3.23Å; R194-E197 PolarHBondContact O-N 3.41Å; R194-Q198 WeakPolarHBondContact O-CB 3.31Å; R194-Q198 VanDerWaalsContact O-CG 3.28Å; R194-Q198 WeakPolarHBondContact O-CG 3.28Å; R194-Q198 PolarHBondContact O-N 2.96Å
195	Q	91.8	Very high	88.3	Confident	70 Å²	70	82.7 Å²	82.7	33%	0.327	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-47.9	176.6	-176.6	-176.7	-16.2	0	0	111.3	Y191 L192 V193 E197 Q198 E199	Y191-Q195 PolarHBondContact O-N 2.84Å; L192-Q195 PolarHBondContact O-N 3.22Å; V193-Q195 VanDerWaalsContact C-N 3.29Å; V193-Q195 PolarHBondContact O-N 3.23Å; Q195-E197 PolarHBondContact O-N 3.41Å; Q195-Q198 PolarHBondContact O-N 3.49Å; Q195-E199 HydrophobicContact CG-CG 4.46Å; Q195-E199 PolarHBondContact NE2-OE1 2.69Å; Q195-E199 WeakPolarHBondContact O-CB 3.47Å; Q195-E199 WeakPolarHBondContact O-CG 3.38Å; Q195-E199 PolarHBondContact O-N 3.01Å
196	Y	90.2	Very high	88.9	Confident	5 Å²	5	80.7 Å²	80.7	2%	0.02	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-41	178.6	-67.4	-28.2	0	0	0	112.8	V123 R128 L192 V193 Q198 E199 I200	V123-Y196 HydrophobicContact CB-CD2 4.3Å; V123-Y196 HydrophobicContact CB-CE2 3.97Å; V123-Y196 WeakPolarHBondContact O-CE2 3.06Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.3Å; L192-Y196 HydrophobicContact CD1-CD1 4.4Å; L192-Y196 HydrophobicContact CD1-CE1 3.74Å; L192-Y196 HydrophobicContact CD1-CE2 3.95Å; L192-Y196 VanDerWaalsContact CD1-CZ 3.49Å; L192-Y196 HydrophobicContact CD2-CE2 3.84Å; L192-Y196 HydrophobicContact CG-CD2 4.1Å; L192-Y196 HydrophobicContact CG-CE1 4.24Å; L192-Y196 HydrophobicContact CG-CE2 3.5Å; L192-Y196 WeakPolarHBondContact O-CD2 3.32Å; L192-Y196 PolarHBondContact O-N 3Å; V193-Y196 PolarHBondContact O-N 3.2Å; Y196-Q198 VanDerWaalsContact C-N 3.35Å; Y196-Q198 PolarHBondContact O-N 2.97Å; Y196-E199 PolarHBondContact O-N 2.66Å; Y196-I200 WeakPolarHBondContact O-CB 3.41Å; Y196-I200 VanDerWaalsContact O-CG1 3.28Å; Y196-I200 WeakPolarHBondContact O-CG1 3.31Å; Y196-I200 PolarHBondContact O-N 3.34Å
197	E	91.2	Very high	89.3	Confident	88 Å²	88	83.4 Å²	83.4	41%	0.411	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-43.3	175.9	-70.7	-179.9	152.7	0	0	111.7	V193 R194 Q195 I200 Q201	V193-E197 WeakPolarHBondContact O-CG 3.48Å; V193-E197 PolarHBondContact O-N 2.94Å; R194-E197 PolarHBondContact O-N 3.41Å; Q195-E197 PolarHBondContact O-N 3.41Å; E197-I200 PolarHBondContact O-N 3.41Å; E197-Q201 WeakPolarHBondContact O-CB 3.35Å; E197-Q201 PolarHBondContact O-N 2.75Å
198	Q	93.1	Very high	89.4	Confident	122 Å²	122	78.5 Å²	78.5	57%	0.57	40%	0.401	S	S	*	.	H	α-helix	trans	-63.1	-46	174.9	-73.2	174.7	-2.7	0	0	112	R194 Q195 Y196 I200 Q201 M202	R194-Q198 WeakPolarHBondContact O-CB 3.31Å; R194-Q198 VanDerWaalsContact O-CG 3.28Å; R194-Q198 WeakPolarHBondContact O-CG 3.28Å; R194-Q198 PolarHBondContact O-N 2.96Å; Q195-Q198 PolarHBondContact O-N 3.49Å; Y196-Q198 VanDerWaalsContact C-N 3.35Å; Y196-Q198 PolarHBondContact O-N 2.97Å; Q198-I200 VanDerWaalsContact C-N 3.32Å; Q198-I200 PolarHBondContact O-N 2.8Å; Q198-Q201 PolarHBondContact O-N 3.29Å; Q198-M202 VanDerWaalsContact O-CG 3.32Å; Q198-M202 WeakPolarHBondContact O-CG 3.47Å; Q198-M202 PolarHBondContact O-N 3.34Å
199	E	91.9	Very high	89.2	Confident	52 Å²	52	80 Å²	80	24%	0.243	41%	0.412	C	S	.	.	H	α-helix	trans	-61.9	-38.8	178.3	-74.6	-180	-167.6	0	0	112	A132 Q195 Y196 A203	A132-E199 HydrophobicContact CB-CB 3.78Å; A132-E199 WeakPolarHBondContact CB-O 3.39Å; Q195-E199 HydrophobicContact CG-CG 4.46Å; Q195-E199 PolarHBondContact NE2-OE1 2.69Å; Q195-E199 WeakPolarHBondContact O-CB 3.47Å; Q195-E199 WeakPolarHBondContact O-CG 3.38Å; Q195-E199 PolarHBondContact O-N 3.01Å; Y196-E199 PolarHBondContact O-N 2.66Å; E199-A203 VanDerWaalsContact O-CB 3.27Å; E199-A203 WeakPolarHBondContact O-CB 3.16Å; E199-A203 PolarHBondContact O-N 3.14Å
200	I	90.2	Very high	88.5	Confident	46 Å²	46	81.7 Å²	81.7	24%	0.236	42%	0.421	C	S	.	.	H	α-helix	trans	-66.1	-45.1	175.2	-71.1	167.4	0	0	0	110.9	A132 Y145 D147 Y196 E197 Q198 A203 A204	A132-I200 HydrophobicContact CB-CG1 4Å; Y145-I200 HydrophobicContact CD1-CD1 4.48Å; Y145-I200 HydrophobicContact CE1-CD1 3.93Å; Y145-I200 HydrophobicContact CE1-CG1 4.26Å; D147-I200 HydrophobicContact CB-CD1 4.03Å; Y196-I200 WeakPolarHBondContact O-CB 3.41Å; Y196-I200 VanDerWaalsContact O-CG1 3.28Å; Y196-I200 WeakPolarHBondContact O-CG1 3.31Å; Y196-I200 PolarHBondContact O-N 3.34Å; E197-I200 PolarHBondContact O-N 3.41Å; Q198-I200 VanDerWaalsContact C-N 3.32Å; Q198-I200 PolarHBondContact O-N 2.8Å; I200-A203 PolarHBondContact O-N 3.13Å; I200-A204 WeakPolarHBondContact O-CB 3.27Å; I200-A204 PolarHBondContact O-N 3.46Å
201	Q	91.5	Very high	87.3	Confident	109 Å²	109	85.6 Å²	85.6	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-47.1	178.6	-174.9	61.4	30.9	0	0	111.1	E197 Q198 A203 A204 E205	E197-Q201 WeakPolarHBondContact O-CB 3.35Å; E197-Q201 PolarHBondContact O-N 2.75Å; Q198-Q201 PolarHBondContact O-N 3.29Å; Q201-A203 VanDerWaalsContact C-N 3.33Å; Q201-A203 PolarHBondContact O-N 2.73Å; Q201-A204 WeakPolarHBondContact O-CB 3.48Å; Q201-A204 PolarHBondContact O-N 2.9Å; Q201-E205 PolarHBondContact NE2-OE1 3.5Å; Q201-E205 PolarHBondContact O-N 2.93Å
202	M	92.2	Very high	85.6	Confident	128 Å²	128	81 Å²	81	63%	0.631	43%	0.434	S	S	*	.	H	α-helix	trans	-60.8	-41	176	-70.2	178.2	178.1	0	0	112.1	Q198 A204 E205 A206	Q198-M202 VanDerWaalsContact O-CG 3.32Å; Q198-M202 WeakPolarHBondContact O-CG 3.47Å; Q198-M202 PolarHBondContact O-N 3.34Å; M202-A204 VanDerWaalsContact C-N 3.32Å; M202-A204 PolarHBondContact O-N 2.86Å; M202-E205 PolarHBondContact O-N 3.36Å; M202-A206 PolarHBondContact O-N 3.04Å
203	A	89.5	Confident	84	Confident	21 Å²	21	84.4 Å²	84.4	17%	0.174	45%	0.453	C	S	.	.	H	α-helix	trans	-69	-28.4	177.9	0	0	0	0	0	113.3	A132 R139 E199 I200 Q201 E205	A132-A203 HydrophobicContact CB-CB 4.17Å; R139-A203 PolarHBondContact NH1-O 3.05Å; E199-A203 VanDerWaalsContact O-CB 3.27Å; E199-A203 WeakPolarHBondContact O-CB 3.16Å; E199-A203 PolarHBondContact O-N 3.14Å; I200-A203 PolarHBondContact O-N 3.13Å; Q201-A203 VanDerWaalsContact C-N 3.33Å; Q201-A203 PolarHBondContact O-N 2.73Å; A203-E205 VanDerWaalsContact C-N 3.35Å
204	A	88.3	Confident	82.3	Confident	47 Å²	47	88.5 Å²	88.5	39%	0.388	47%	0.471	S	S	.	.	H	α-helix	trans	-69.7	-34.2	174.3	0	0	0	0	0	111.9	R139 I200 Q201 M202	R139-A204 PolarHBondContact NH2-O 3.27Å; I200-A204 WeakPolarHBondContact O-CB 3.27Å; I200-A204 PolarHBondContact O-N 3.46Å; Q201-A204 WeakPolarHBondContact O-CB 3.48Å; Q201-A204 PolarHBondContact O-N 2.9Å; M202-A204 VanDerWaalsContact C-N 3.32Å; M202-A204 PolarHBondContact O-N 2.86Å
205	E	88.9	Confident	80.2	Confident	140 Å²	140	88 Å²	88	65%	0.654	48%	0.48	S	S	*	.	H	α-helix	trans	-83.1	-23.4	178.9	-67.9	170.8	-168.6	0	0	113.3	Q201 M202 A203	Q201-E205 PolarHBondContact NE2-OE1 3.5Å; Q201-E205 PolarHBondContact O-N 2.93Å; M202-E205 PolarHBondContact O-N 3.36Å; A203-E205 VanDerWaalsContact C-N 3.35Å
206	A	88.6	Confident	77.4	Confident	42 Å²	42	95.5 Å²	95.5	35%	0.347	52%	0.521	S	S	.	.	S	Bend	trans	-65.8	150	178.9	0	0	0	0	0	112.6	R139 M202	R139-A206 PolarHBondContact NH1-O 3.37Å; R139-A206 PolarHBondContact NH2-O 3.46Å; M202-A206 PolarHBondContact O-N 3.04Å
207	P	87.3	Confident	76.8	Confident	122 Å²	122	100 Å²	100	79%	0.792	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-56	147.3	169.5	-23.5	34	0	0	0	111.8
208	L	83.5	Confident	76	Confident	65 Å²	65	100.6 Å²	100.6	34%	0.34	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-70.6	140.4	169.5	-71.3	172.1	0	0	0	109	T136 R139 K140	T136-L208 HydrophobicContact CG2-CD2 4.24Å; R139-L208 HydrophobicContact CB-CD1 4.33Å; R139-L208 HydrophobicContact CB-CD2 3.81Å; R139-L208 HydrophobicContact CG-CD2 4.43Å; K140-L208 HydrophobicContact CG-CD1 4.26Å
209	P	78.9	Confident	75.1	Confident	52 Å²	52	99.4 Å²	99.4	34%	0.338	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-61.5	144.4	172.1	26.8	-32.8	0	0	0	109.5	T136	T136-P209 HydrophobicContact CG2-CG 4.22Å
210	D	73.3	Confident	74.1	Confident	127 Å²	127	102.2 Å²	102.2	68%	0.679	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-58.1	145	175.4	-71.5	-31	0	0	0	109.5	G212 D213	D210-G212 PolarHBondContact O-N 2.84Å; D210-D213 PolarHBondContact O-N 3.23Å
211	E	63.3	Low	73.1	Confident	170 Å²	170	105.8 Å²	105.8	79%	0.794	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-13.4	-174.8	-65.8	-169.5	152.9	0	0	113.7
212	G	55.4	Low	71.8	Confident	70 Å²	70	105.5 Å²	105.5	72%	0.722	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-10.9	176.6	0	0	0	0	0	116.3	D210	D210-G212 PolarHBondContact O-N 2.84Å
213	D	55	Low	70.4	Confident	102 Å²	102	103.9 Å²	103.9	55%	0.545	60%	0.595	S	S	.	*	S	Bend	trans	-92.5	0.7	-175.7	-77.7	-19.9	0	0	0	113.7	D210 D215	D210-D213 PolarHBondContact O-N 3.23Å; D213-D215 PolarHBondContact O-N 3.04Å
214	E	53.3	Low	68.9	Low	112 Å²	112	110.3 Å²	110.3	52%	0.523	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-0.9	-171.3	-62	-163.2	141.8	0	0	115	K140	K140-E214 WeakPolarHBondContact CE-OE1 3.35Å; K140-E214 VanDerWaalsContact NZ-CD 3.26Å; K140-E214 IonicContact NZ-OE1 3.57Å; K140-E214 PolarHBondContact NZ-OE1 2.99Å; K140-E214 IonicContact NZ-OE2 2.9Å
215	D	45.8	Very low	67.3	Low	157 Å²	157	115.6 Å²	115.6	84%	0.84	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	15.4	-177.3	-78.5	-31.7	0	0	0	114.7	D213	D213-D215 PolarHBondContact O-N 3.04Å
216	L	34.4	Very low	65.3	Low	228 Å²	228	113.4 Å²	113.4	100%	1.194	65%	0.647	S	S	*	*			trans	-109.5	0	176	-70.4	171.9	0	0	0	114.8

Retrieved 216 of 216 residues in 557 ms (Link to these results)

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