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GTP-binding nuclear protein Ran

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

AlphaFold DB (A0A158N8Q0), UniProt , Accession P38542, Species BRUMA (Brugia malayi, Filarial nematode worm), Gene n/a, Length 215 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	37.2	Very low	74	Confident	236 Å²	236	87.8 Å²	87.8	100%	1.163	52%	0.52	S	S	*	.				0	110.8	0	-66.4	177.6	-170.2	0	0	106	T3	M1-T3 PolarHBondContact O-N 3.27Å
2	A	42.8	Very low	76	Confident	98 Å²	98	80.6 Å²	80.6	81%	0.81	48%	0.478	S	S	*	.			trans	-65.1	116.7	177.1	0	0	0	0	0	108.1
3	T	46.7	Very low	77.7	Confident	109 Å²	109	74.4 Å²	74.4	67%	0.669	44%	0.441	S	S	*	.			trans	-58.3	138.3	166.6	44.7	0	0	0	0	107.7	M1 D5 D6	M1-T3 PolarHBondContact O-N 3.27Å; T3-D5 PolarHBondContact O-N 3.5Å; T3-D6 PolarHBondContact O-N 2.92Å
4	G	56.4	Low	79.1	Confident	46 Å²	46	69.1 Å²	69.1	47%	0.474	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	8.2	-168	0	0	0	0	0	117.9	R59	G4-R59 PolarHBondContact O-NH2 3.49Å
5	D	63.1	Low	80.3	Confident	155 Å²	155	64.5 Å²	64.5	83%	0.829	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-14	179.4	-74.2	-24.5	0	0	0	114.1	T3	T3-D5 PolarHBondContact O-N 3.5Å
6	D	85.1	Confident	81.3	Confident	142 Å²	142	60.5 Å²	60.5	76%	0.759	36%	0.358	S	S	*	.			trans	-104.2	20.6	-175.7	-153.9	21.8	0	0	0	114.2	T3 P8	T3-D6 PolarHBondContact O-N 2.92Å; D6-P8 WeakPolarHBondContact O-CD 3.38Å
7	I	92.7	Very high	82.2	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.128	34%	0.343	C	S	.	.	S	Bend	trans	-84.1	120.3	177.9	-61.4	167.9	0	0	0	108.8	T9 Q57 R59	I7-T9 PolarHBondContact O-N 2.87Å; I7-T9 PolarHBondContact O-OG1 3.29Å; I7-Q57 HydrophobicContact CD1-CB 4.41Å; I7-Q57 HydrophobicContact CG1-CB 4.34Å; I7-Q57 HydrophobicContact CG2-CB 4.03Å; I7-R59 HydrophobicContact CG2-CB 3.99Å
8	P	95.6	Very high	82.9	Confident	61 Å²	61	56.1 Å²	56.1	40%	0.396	34%	0.337	S	S	.	.			trans	-50.2	115.1	173.2	-27.9	35.3	0	0	0	110.8	D6 F10 R59	D6-P8 WeakPolarHBondContact O-CD 3.38Å; P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CZ 4.27Å; P8-R59 PolarHBondContact O-N 3.03Å
9	T	97.5	Very high	83.5	Confident	49 Å²	49	54.5 Å²	54.5	30%	0.301	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.4	-171.8	-62.4	0	0	0	0	109.9	I7 R59 N61	I7-T9 PolarHBondContact O-N 2.87Å; I7-T9 PolarHBondContact O-OG1 3.29Å; T9-R59 CarbonylContact C-O 3.55Å; T9-R59 VanDerWaalsContact CA-O 3.32Å; T9-R59 WeakPolarHBondContact CA-O 3.41Å; T9-R59 HydrophobicContact CG2-CB 4.23Å; T9-R59 HydrophobicContact CG2-CG 4.22Å; T9-R59 PolarHBondContact OG1-NH1 2.98Å; T9-N61 VanDerWaalsContact CG2-ND2 3.34Å; T9-N61 WeakPolarHBondContact CG2-ND2 3.38Å
10	F	98.3	Very high	84.2	Confident	21 Å²	21	51.8 Å²	51.8	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.3	-177.9	-56.5	-79.5	0	0	0	111.2	P8 L12 R59 F60 N61 Q83 L167 L168	P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CZ 4.27Å; F10-L12 PolarHBondContact O-N 2.79Å; F10-R59 PolarHBondContact N-O 3.3Å; F10-F60 HydrophobicContact CB-CD1 3.96Å; F10-F60 HydrophobicContact CB-CE1 4.11Å; F10-F60 HydrophobicContact CD2-CE1 4.4Å; F10-F60 CarbonylContact O-C 3.59Å; F10-F60 WeakPolarHBondContact O-CA 3.5Å; F10-N61 PolarHBondContact O-N 3.49Å; F10-Q83 VanDerWaalsContact CA-OE1 3.28Å; F10-L167 HydrophobicContact CB-CD1 4.02Å; F10-L167 HydrophobicContact CD1-CB 4.25Å; F10-L167 HydrophobicContact CD1-CD1 3.9Å; F10-L167 HydrophobicContact CD1-CD2 4.03Å; F10-L167 HydrophobicContact CD1-CG 4.29Å; F10-L167 HydrophobicContact CD2-CD1 4.1Å; F10-L167 HydrophobicContact CE1-CB 3.92Å; F10-L167 HydrophobicContact CE1-CD1 4.4Å; F10-L167 HydrophobicContact CE1-CD2 4.31Å; F10-L167 HydrophobicContact CE1-CG 4.45Å; F10-L167 HydrophobicContact CE2-CB 4.45Å; F10-L167 HydrophobicContact CG-CD1 3.74Å; F10-L167 HydrophobicContact CZ-CB 4.03Å; F10-L168 HydrophobicContact CE2-CD2 4.31Å; F10-L168 HydrophobicContact CZ-CD2 3.87Å; F10-L168 HydrophobicContact CZ-CG 4.35Å
11	K	98.2	Very high	84.8	Confident	24 Å²	24	50 Å²	50	10%	0.104	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.3	168.8	179.8	169.1	170.8	172.5	0	109.6	W63 Y78 I80 Q83 C84	K11-W63 HydrophobicContact CD-CD2 4.39Å; K11-W63 HydrophobicContact CD-CZ2 4.25Å; K11-W63 VanDerWaalsContact CE-CE2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.43Å; K11-Y78 WeakPolarHBondContact CE-O 3.49Å; K11-Y78 PolarHBondContact NZ-O 3.37Å; K11-I80 WeakPolarHBondContact CE-O 3.37Å; K11-I80 PolarHBondContact NZ-O 2.95Å; K11-Q83 PolarHBondContact O-N 3.49Å; K11-C84 PolarHBondContact O-N 3.34Å
12	L	98.6	Very high	87.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.2	173.9	-172.8	154.5	0	0	0	109.4	F10 L14 F60 N61 V62 W63 C84 I86 F160 L163	F10-L12 PolarHBondContact O-N 2.79Å; L12-L14 HydrophobicContact CD2-CB 4.15Å; L12-F60 HydrophobicContact CB-CB 4.33Å; L12-F60 HydrophobicContact CB-CD1 4.03Å; L12-F60 HydrophobicContact CD1-CB 4.47Å; L12-F60 HydrophobicContact CD1-CD1 3.85Å; L12-F60 HydrophobicContact CD1-CE1 4.3Å; L12-F60 HydrophobicContact CD1-CG 4.21Å; L12-N61 PolarHBondContact N-O 2.91Å; L12-V62 HydrophobicContact CB-CG2 4.3Å; L12-V62 HydrophobicContact CD2-CG1 3.88Å; L12-V62 HydrophobicContact CD2-CG2 4.26Å; L12-V62 CarbonylContact O-C 3.55Å; L12-V62 WeakPolarHBondContact O-CA 3.3Å; L12-W63 PolarHBondContact O-N 3.02Å; L12-C84 WeakPolarHBondContact CA-O 3.45Å; L12-C84 VanDerWaalsContact CB-SG 3.58Å; L12-I86 HydrophobicContact CD1-CD1 4.07Å; L12-I86 HydrophobicContact CD1-CG1 4.31Å; L12-I86 HydrophobicContact CD2-CB 4.46Å; L12-I86 HydrophobicContact CD2-CD1 4.2Å; L12-I86 HydrophobicContact CD2-CG1 4.19Å; L12-F160 HydrophobicContact CD1-CD1 4.06Å; L12-F160 HydrophobicContact CD1-CE1 3.75Å; L12-L163 HydrophobicContact CD1-CD1 3.52Å; L12-L163 HydrophobicContact CG-CD1 4.36Å
13	V	97.5	Very high	90.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.8	174.4	-170.1	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 4.2Å; V13-Y79 HydrophobicContact CG1-CD1 3.51Å; V13-Y79 HydrophobicContact CG1-CE1 3.74Å; V13-C84 PolarHBondContact N-O 2.91Å; V13-A85 HydrophobicContact CB-CB 4.31Å; V13-A85 CarbonylContact O-C 3.47Å; V13-A85 WeakPolarHBondContact O-CA 3.29Å; V13-A85 VanDerWaalsContact O-CB 3.3Å; V13-A85 WeakPolarHBondContact O-CB 3.37Å; V13-I86 PolarHBondContact O-N 3.45Å; V13-L107 HydrophobicContact CB-CD1 4.31Å; V13-L107 HydrophobicContact CG1-CD1 4.33Å
14	L	97.9	Very high	92.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	112.6	176.8	176.9	61.4	0	0	0	109.9	L12 K22 V26 V62 W63 T65 I86 M88	L12-L14 HydrophobicContact CD2-CB 4.15Å; L14-K22 HydrophobicContact CD1-CB 4.44Å; L14-K22 HydrophobicContact CD1-CD 4.36Å; L14-K22 HydrophobicContact CD1-CG 4.1Å; L14-K22 HydrophobicContact CD2-CB 3.65Å; L14-K22 HydrophobicContact CD2-CG 4.22Å; L14-K22 HydrophobicContact CG-CB 3.87Å; L14-K22 HydrophobicContact CG-CD 3.99Å; L14-K22 HydrophobicContact CG-CG 3.92Å; L14-V26 HydrophobicContact CD2-CG2 3.28Å; L14-V62 HydrophobicContact CB-CG1 4.02Å; L14-V62 HydrophobicContact CD2-CG1 4.28Å; L14-W63 PolarHBondContact N-O 3.04Å; L14-T65 PolarHBondContact O-N 2.98Å; L14-T65 PolarHBondContact O-OG1 2.96Å; L14-I86 HydrophobicContact CD1-CB 3.7Å; L14-I86 HydrophobicContact CD1-CG2 3.61Å; L14-M88 HydrophobicContact CD1-CB 4.5Å; L14-M88 HydrophobicContact CD1-CE 4.24Å
15	V	96.8	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	167.2	-173.8	-57.2	0	0	0	0	112.3	V13 K22 T65 Y79 I86 I87 M88 W103	V13-V15 HydrophobicContact CG1-CG1 3.59Å; V15-K22 VanDerWaalsContact C-CD 3.44Å; V15-K22 WeakPolarHBondContact O-CD 3.48Å; V15-T65 HydrophobicContact CG1-CG2 4.47Å; V15-Y79 HydrophobicContact CG1-CD1 4.49Å; V15-Y79 HydrophobicContact CG1-CE1 3.52Å; V15-I86 PolarHBondContact N-O 2.98Å; V15-I87 HydrophobicContact CG2-CB 4.19Å; V15-I87 HydrophobicContact CG2-CG1 3.69Å; V15-I87 HydrophobicContact CG2-CG2 4.25Å; V15-M88 PolarHBondContact O-N 3.1Å; V15-W103 HydrophobicContact CB-CD2 4.37Å; V15-W103 HydrophobicContact CB-CE3 3.74Å; V15-W103 HydrophobicContact CB-CZ3 4.15Å; V15-W103 HydrophobicContact CG1-CE3 4.38Å; V15-W103 HydrophobicContact CG2-CB 4.27Å; V15-W103 HydrophobicContact CG2-CE3 4.35Å
16	G	97.2	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.			trans	134.2	166.8	-178	0	0	0	0	0	111.7	K22 G67 M88 W103	G16-K22 WeakPolarHBondContact O-CE 3.44Å; G16-K22 PolarHBondContact O-NZ 3.09Å; G16-G67 WeakPolarHBondContact O-CA 3.37Å; G16-M88 WeakPolarHBondContact CA-O 3.5Å; G16-W103 VanDerWaalsContact C-CE2 3.43Å; G16-W103 VanDerWaalsContact C-CZ2 3.46Å; G16-W103 WeakPolarHBondContact O-CZ2 3.39Å
17	D	96.4	Very high	96.1	Very high	17 Å²	17	18.2 Å²	18.2	9%	0.091	11%	0.113	C	C	.	.			trans	-55.7	158.7	-175.3	-77.9	16.2	0	0	0	113.5	T20 K22 T96 N99 W103	D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CB 3.36Å; D17-T20 VanDerWaalsContact O-CG2 3.27Å; D17-T20 WeakPolarHBondContact O-CG2 3.31Å; D17-T20 PolarHBondContact O-N 3.12Å; D17-T20 PolarHBondContact O-OG1 3.25Å; D17-K22 PolarHBondContact O-NZ 3.19Å; D17-T96 HydrophobicContact CB-CG2 3.83Å; D17-T96 WeakPolarHBondContact OD2-CA 3.44Å; D17-N99 WeakPolarHBondContact OD1-CB 3.39Å; D17-N99 PolarHBondContact OD1-ND2 2.94Å; D17-N99 PolarHBondContact OD2-ND2 3.3Å; D17-W103 PolarHBondContact OD1-NE1 3.08Å
18	G	94.8	Very high	96	Very high	24 Å²	24	17.1 Å²	17.1	25%	0.247	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	141.9	169.3	0	0	0	0	0	111.7	T20 G67	G18-T20 PolarHBondContact O-N 3.25Å; G18-G67 PolarHBondContact N-O 3.23Å
19	G	94.7	Very high	95.7	Very high	26 Å²	26	15 Å²	15	27%	0.268	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-0.6	176.9	0	0	0	0	0	115.7	G21 K122	G19-G21 PolarHBondContact O-N 3.03Å; G19-K122 WeakPolarHBondContact O-CE 3.11Å; G19-K122 PolarHBondContact O-NZ 3.35Å
20	T	97.1	Very high	95.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-66.4	-21.3	175.9	50.3	0	0	0	0	113.8	D17 G18 D90 T96 N121	D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CB 3.36Å; D17-T20 VanDerWaalsContact O-CG2 3.27Å; D17-T20 WeakPolarHBondContact O-CG2 3.31Å; D17-T20 PolarHBondContact O-N 3.12Å; D17-T20 PolarHBondContact O-OG1 3.25Å; G18-T20 PolarHBondContact O-N 3.25Å; T20-D90 HydrophobicContact CG2-CB 4.35Å; T20-T96 HydrophobicContact CG2-CG2 3.94Å; T20-N121 PolarHBondContact O-ND2 2.84Å
21	G	96.2	Very high	94.7	Very high	14 Å²	14	19.2 Å²	19.2	14%	0.144	12%	0.117	C	C	.	.	S	Bend	trans	105.2	14.8	176.3	0	0	0	0	0	115.4	G19 T23 T24 F25	G19-G21 PolarHBondContact O-N 3.03Å; G21-T23 PolarHBondContact O-N 2.89Å; G21-T24 PolarHBondContact O-N 2.82Å; G21-F25 WeakPolarHBondContact O-CB 3.11Å; G21-F25 PolarHBondContact O-N 2.96Å
22	K	96.8	Very high	94.1	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-49.5	-57.8	178.3	-63.1	-174.9	-50.4	-72.8	0	113.3	L14 V15 G16 D17 T24 F25 V26 D64 T65 M88	L14-K22 HydrophobicContact CD1-CB 4.44Å; L14-K22 HydrophobicContact CD1-CD 4.36Å; L14-K22 HydrophobicContact CD1-CG 4.1Å; L14-K22 HydrophobicContact CD2-CB 3.65Å; L14-K22 HydrophobicContact CD2-CG 4.22Å; L14-K22 HydrophobicContact CG-CB 3.87Å; L14-K22 HydrophobicContact CG-CD 3.99Å; L14-K22 HydrophobicContact CG-CG 3.92Å; V15-K22 VanDerWaalsContact C-CD 3.44Å; V15-K22 WeakPolarHBondContact O-CD 3.48Å; G16-K22 WeakPolarHBondContact O-CE 3.44Å; G16-K22 PolarHBondContact O-NZ 3.09Å; D17-K22 PolarHBondContact O-NZ 3.19Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.31Å; K22-F25 WeakPolarHBondContact O-CB 3.34Å; K22-F25 PolarHBondContact O-N 2.88Å; K22-F25 VanDerWaalsContact O-N 3.1Å; K22-V26 WeakPolarHBondContact O-CG2 3.42Å; K22-V26 PolarHBondContact O-N 3.46Å; K22-D64 VanDerWaalsContact CB-OD1 3.3Å; K22-D64 WeakPolarHBondContact CB-OD1 3.45Å; K22-T65 WeakPolarHBondContact CE-O 3.35Å; K22-M88 HydrophobicContact CG-CB 4.02Å; K22-M88 HydrophobicContact CG-SD 4.06Å; K22-M88 PolarHBondContact N-SD 2.82Å
23	T	95	Very high	93.4	Very high	21 Å²	21	24.6 Å²	24.6	13%	0.129	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-43.2	179	-46.2	0	0	0	0	112.3	G21 F25 V26 K27 T41 D64	G21-T23 PolarHBondContact O-N 2.89Å; T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 2.88Å; T23-V26 PolarHBondContact O-N 2.73Å; T23-K27 HydrophobicContact CG2-CD 4.21Å; T23-K27 HydrophobicContact CG2-CG 4.29Å; T23-K27 WeakPolarHBondContact O-CB 3.29Å; T23-K27 WeakPolarHBondContact O-CG 3.42Å; T23-K27 PolarHBondContact O-N 3.07Å; T23-T41 PolarHBondContact OG1-OG1 2.66Å; T23-D64 VanDerWaalsContact CA-OD2 3.26Å; T23-D64 WeakPolarHBondContact CA-OD2 3.34Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.33Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.28Å; T23-D64 PolarHBondContact OG1-OD2 3.45Å
24	T	94.9	Very high	92.8	Very high	25 Å²	25	26.7 Å²	26.7	15%	0.153	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-42.4	175.8	-52.2	0	0	0	0	111.1	G21 K22 R28 F34 E35 A150	G21-T24 PolarHBondContact O-N 2.82Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.31Å; T24-R28 WeakPolarHBondContact O-CB 3.4Å; T24-R28 PolarHBondContact O-N 2.89Å; T24-F34 HydrophobicContact CG2-CD2 3.57Å; T24-F34 HydrophobicContact CG2-CE2 3.43Å; T24-F34 VanDerWaalsContact CG2-CE2 3.43Å; T24-F34 HydrophobicContact CG2-CG 4.45Å; T24-F34 HydrophobicContact CG2-CZ 4.23Å; T24-E35 HydrophobicContact CG2-CB 4.39Å; T24-A150 HydrophobicContact CG2-CB 4.18Å
25	F	95.5	Very high	92.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-40.2	177.4	176.6	-98.8	0	0	0	112.6	G21 K22 T23 H29 I86 M88 I148 A150 F156 P159 F160	G21-F25 WeakPolarHBondContact O-CB 3.11Å; G21-F25 PolarHBondContact O-N 2.96Å; K22-F25 WeakPolarHBondContact O-CB 3.34Å; K22-F25 PolarHBondContact O-N 2.88Å; K22-F25 VanDerWaalsContact O-N 3.1Å; T23-F25 VanDerWaalsContact C-N 3.32Å; T23-F25 PolarHBondContact O-N 2.88Å; F25-H29 AromaticContact CE2-CE1 3.63Å; F25-H29 AromaticContact CZ-CE1 3.55Å; F25-H29 PolarHBondContact O-N 3.01Å; F25-H29 PolarHBondContact O-ND1 3.05Å; F25-I86 HydrophobicContact CE1-CD1 4.05Å; F25-M88 HydrophobicContact CB-CE 3.76Å; F25-M88 HydrophobicContact CD1-CE 3.92Å; F25-M88 HydrophobicContact CD2-CE 4.24Å; F25-M88 HydrophobicContact CG-CE 3.72Å; F25-I148 HydrophobicContact CD2-CD1 3.69Å; F25-I148 HydrophobicContact CE2-CD1 3.66Å; F25-I148 HydrophobicContact CZ-CD1 4.44Å; F25-A150 HydrophobicContact CB-CB 4.34Å; F25-F156 HydrophobicContact CB-CE2 4.5Å; F25-F156 AromaticContact CD2-CD2 3.58Å; F25-F156 HydrophobicContact CD2-CD2 3.58Å; F25-F156 AromaticContact CD2-CE2 3.27Å; F25-F156 HydrophobicContact CD2-CE2 3.27Å; F25-F156 HydrophobicContact CD2-CZ 4.22Å; F25-F156 AromaticContact CE2-CD2 3.54Å; F25-F156 HydrophobicContact CE2-CD2 3.54Å; F25-F156 AromaticContact CE2-CE2 3.64Å; F25-F156 HydrophobicContact CE2-CE2 3.64Å; F25-F156 HydrophobicContact CE2-CG 4.33Å; F25-F156 HydrophobicContact CG-CE2 4.06Å; F25-F156 VanDerWaalsContact O-CZ 3.22Å; F25-F156 WeakPolarHBondContact O-CZ 3.34Å; F25-P159 HydrophobicContact CZ-CG 4.36Å; F25-F160 HydrophobicContact CE1-CD2 4.48Å; F25-F160 AromaticContact CE1-CE2 3.41Å; F25-F160 HydrophobicContact CE1-CE2 3.41Å; F25-F160 VanDerWaalsContact CE1-CE2 3.41Å; F25-F160 AromaticContact CE1-CZ 3.77Å; F25-F160 HydrophobicContact CE1-CZ 3.77Å; F25-F160 HydrophobicContact CZ-CD2 4.18Å; F25-F160 AromaticContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CE2 3.45Å; F25-F160 VanDerWaalsContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CZ 4.28Å
26	V	94.5	Very high	91.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.4	-51.9	177	177.3	0	0	0	0	111.5	L14 K22 T23 R28 H29 L30 H47 V62 D64	L14-V26 HydrophobicContact CD2-CG2 3.28Å; K22-V26 WeakPolarHBondContact O-CG2 3.42Å; K22-V26 PolarHBondContact O-N 3.46Å; T23-V26 PolarHBondContact O-N 2.73Å; V26-R28 PolarHBondContact O-N 3.42Å; V26-H29 WeakPolarHBondContact O-CB 3.04Å; V26-H29 PolarHBondContact O-N 3.45Å; V26-L30 PolarHBondContact O-N 3.19Å; V26-H47 HydrophobicContact CG1-CB 3.49Å; V26-H47 VanDerWaalsContact CG1-CB 3.49Å; V26-V62 HydrophobicContact CG1-CB 4.48Å; V26-V62 HydrophobicContact CG1-CG1 4.39Å; V26-V62 HydrophobicContact CG2-CG1 3.62Å; V26-D64 HydrophobicContact CG2-CB 4.42Å
27	K	91.7	Very high	91.1	Very high	63 Å²	63	44 Å²	44	27%	0.274	23%	0.228	S	C	.	.	H	α-helix	trans	-57.6	-39.4	179.2	-74.6	-170.7	179.3	-168.5	0	111.8	T23 H29 L30 T31 E35	T23-K27 HydrophobicContact CG2-CD 4.21Å; T23-K27 HydrophobicContact CG2-CG 4.29Å; T23-K27 WeakPolarHBondContact O-CB 3.29Å; T23-K27 WeakPolarHBondContact O-CG 3.42Å; T23-K27 PolarHBondContact O-N 3.07Å; K27-H29 VanDerWaalsContact C-N 3.3Å; K27-H29 PolarHBondContact O-N 3.4Å; K27-L30 PolarHBondContact O-N 3.48Å; K27-T31 PolarHBondContact O-N 3.05Å; K27-T31 PolarHBondContact O-OG1 3.39Å; K27-E35 HydrophobicContact CD-CB 4.42Å; K27-E35 IonicContact NZ-OE2 3.2Å; K27-E35 PolarHBondContact NZ-OE2 2.88Å
28	R	90.7	Very high	90.7	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.011	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-32.3	178.2	-177.5	73.6	169.7	-171.7	-7.9	112.4	T24 V26 G32 E33 F34 N153 F156 L181 A182 P183	T24-R28 WeakPolarHBondContact O-CB 3.4Å; T24-R28 PolarHBondContact O-N 2.89Å; V26-R28 PolarHBondContact O-N 3.42Å; R28-G32 WeakPolarHBondContact CD-O 3.49Å; R28-G32 VanDerWaalsContact CZ-O 3.23Å; R28-G32 PolarHBondContact NE-O 2.86Å; R28-G32 PolarHBondContact NH1-O 3.38Å; R28-G32 WeakPolarHBondContact O-CA 3.4Å; R28-G32 PolarHBondContact O-N 3.38Å; R28-G32 VanDerWaalsContact O-N 3.12Å; R28-E33 WeakPolarHBondContact CA-O 3.39Å; R28-E33 WeakPolarHBondContact CD-O 3.46Å; R28-F34 VanDerWaalsContact NH1-N 3.19Å; R28-N153 PolarHBondContact NE-OD1 2.94Å; R28-N153 PolarHBondContact NH2-ND2 3.39Å; R28-N153 PolarHBondContact NH2-OD1 3.29Å; R28-N153 VanDerWaalsContact NH2-OD1 3.16Å; R28-F156 HydrophobicContact CB-CE1 4.28Å; R28-F156 HydrophobicContact CB-CE2 4.12Å; R28-F156 HydrophobicContact CB-CZ 3.46Å; R28-F156 VanDerWaalsContact CB-CZ 3.46Å; R28-F156 HydrophobicContact CG-CE1 3.88Å; R28-F156 HydrophobicContact CG-CE2 3.96Å; R28-F156 HydrophobicContact CG-CZ 3.37Å; R28-L181 WeakPolarHBondContact O-CD2 3.43Å; R28-A182 PolarHBondContact NH2-O 3.2Å; R28-P183 PolarHBondContact NH2-O 2.66Å
29	H	90.4	Very high	90.4	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.069	26%	0.264	C	S	.	.	H	α-helix	trans	-72.8	-32.6	169.5	-80	91.6	0	0	0	112.9	F25 V26 K27 L49 F51 F156 F160	F25-H29 AromaticContact CE2-CE1 3.63Å; F25-H29 AromaticContact CZ-CE1 3.55Å; F25-H29 PolarHBondContact O-N 3.01Å; F25-H29 PolarHBondContact O-ND1 3.05Å; V26-H29 WeakPolarHBondContact O-CB 3.04Å; V26-H29 PolarHBondContact O-N 3.45Å; K27-H29 VanDerWaalsContact C-N 3.3Å; K27-H29 PolarHBondContact O-N 3.4Å; H29-L49 HydrophobicContact CB-CD1 3.64Å; H29-L49 HydrophobicContact CB-CD2 3.92Å; H29-L49 HydrophobicContact CB-CG 4.41Å; H29-F51 AromaticContact CD2-CE1 3.91Å; H29-F51 AromaticContact CD2-CZ 3.72Å; H29-F156 HydrophobicContact CB-CE1 4.19Å; H29-F156 HydrophobicContact CB-CZ 4.4Å; H29-F156 AromaticContact CD2-CD1 3.84Å; H29-F156 AromaticContact CD2-CE1 3.49Å; H29-F156 VanDerWaalsContact CD2-CE1 3.49Å; H29-F156 WeakPolarHBondContact CD2-CE1 3.49Å; H29-F156 AromaticContact CE1-CD1 3.16Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.5Å; H29-F156 AromaticContact CE1-CD2 3.71Å; H29-F156 AromaticContact CE1-CE1 2.95Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.5Å; H29-F156 AromaticContact CE1-CE2 3.51Å; H29-F156 AromaticContact CE1-CG 3.53Å; H29-F156 AromaticContact CE1-CZ 3.11Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.37Å; H29-F156 PolarHBondContact CE1-O 2.98Å; H29-F156 AromaticContact CG-CE1 3.34Å; H29-F156 AromaticContact CG-CZ 3.65Å; H29-F156 AromaticContact ND1-CD1 3.78Å; H29-F156 AromaticContact ND1-CE1 3.04Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.48Å; H29-F156 AromaticContact ND1-CE2 3.66Å; H29-F156 AromaticContact ND1-CZ 2.93Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.16Å; H29-F156 AromaticContact NE2-CD1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.21Å; H29-F156 AromaticContact NE2-CE1 3.28Å; H29-F156 VanDerWaalsContact NE2-CE1 3.28Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.28Å; H29-F156 AromaticContact NE2-CG 3.88Å; H29-F156 AromaticContact NE2-CZ 3.92Å; H29-F156 PolarHBondContact NE2-O 2.75Å; H29-F160 AromaticContact CD2-CE2 3.92Å; H29-F160 AromaticContact CE1-CD2 3.82Å; H29-F160 AromaticContact CE1-CE2 3.28Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.37Å; H29-F160 AromaticContact ND1-CE2 3.65Å; H29-F160 AromaticContact NE2-CD2 3.54Å; H29-F160 AromaticContact NE2-CE2 3.42Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.34Å
30	L	88	Confident	90.2	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-79	-49.2	-174.7	-176	65	0	0	0	112.7	V26 K27 L49	V26-L30 PolarHBondContact O-N 3.19Å; K27-L30 PolarHBondContact O-N 3.48Å; L30-L49 HydrophobicContact CB-CD2 3.92Å; L30-L49 HydrophobicContact CD1-CD2 4.08Å
31	T	86.1	Confident	89.6	Confident	77 Å²	77	53.8 Å²	53.8	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-113.5	-10.6	-172.1	67.9	0	0	0	0	113.1	K27 E33	K27-T31 PolarHBondContact O-N 3.05Å; K27-T31 PolarHBondContact O-OG1 3.39Å; T31-E33 PolarHBondContact O-N 2.87Å; T31-E33 WeakPolarHBondContact OG1-CB 3.27Å; T31-E33 PolarHBondContact OG1-N 2.96Å
32	G	85	Confident	89.2	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	29%	0.293	C	S	.	.	S	Bend	trans	75.5	-8.6	-170.1	0	0	0	0	0	113.8	R28 A182	R28-G32 WeakPolarHBondContact CD-O 3.49Å; R28-G32 VanDerWaalsContact CZ-O 3.23Å; R28-G32 PolarHBondContact NE-O 2.86Å; R28-G32 PolarHBondContact NH1-O 3.38Å; R28-G32 WeakPolarHBondContact O-CA 3.4Å; R28-G32 PolarHBondContact O-N 3.38Å; R28-G32 VanDerWaalsContact O-N 3.12Å; G32-A182 WeakPolarHBondContact O-CB 3.32Å; G32-A182 PolarHBondContact O-N 2.66Å
33	E	83.7	Confident	88.7	Confident	136 Å²	136	59.3 Å²	59.3	64%	0.636	30%	0.296	S	S	*	.			trans	-84.4	147.9	-175.5	-62.4	-177.9	166.5	0	0	112.8	R28 T31	R28-E33 WeakPolarHBondContact CA-O 3.39Å; R28-E33 WeakPolarHBondContact CD-O 3.46Å; T31-E33 PolarHBondContact O-N 2.87Å; T31-E33 WeakPolarHBondContact OG1-CB 3.27Å; T31-E33 PolarHBondContact OG1-N 2.96Å
34	F	84.9	Confident	88.6	Confident	44 Å²	44	60.1 Å²	60.1	19%	0.193	30%	0.301	C	S	.	.			trans	-97	112.6	173.5	-178.6	-100.1	0	0	0	110.3	T24 R28 K36 A150 K151 E185	T24-F34 HydrophobicContact CG2-CD2 3.57Å; T24-F34 HydrophobicContact CG2-CE2 3.43Å; T24-F34 VanDerWaalsContact CG2-CE2 3.43Å; T24-F34 HydrophobicContact CG2-CG 4.45Å; T24-F34 HydrophobicContact CG2-CZ 4.23Å; R28-F34 VanDerWaalsContact NH1-N 3.19Å; F34-K36 HydrophobicContact CD1-CG 3.74Å; F34-K36 HydrophobicContact CE1-CG 3.96Å; F34-K36 PolarHBondContact O-N 3Å; F34-A150 WeakPolarHBondContact CD2-O 3.29Å; F34-K151 HydrophobicContact CD2-CB 4.27Å; F34-K151 HydrophobicContact CD2-CG 4.36Å; F34-K151 HydrophobicContact CE1-CG 4.15Å; F34-K151 VanDerWaalsContact CE2-CA 3.43Å; F34-K151 HydrophobicContact CE2-CB 3.62Å; F34-K151 HydrophobicContact CE2-CG 3.87Å; F34-K151 HydrophobicContact CZ-CB 3.9Å; F34-K151 HydrophobicContact CZ-CD 4.28Å; F34-K151 HydrophobicContact CZ-CG 3.75Å; F34-E185 HydrophobicContact CB-CG 3.7Å; F34-E185 HydrophobicContact CD1-CB 4.5Å; F34-E185 HydrophobicContact CD1-CG 3.79Å; F34-E185 HydrophobicContact CG-CG 3.89Å
35	E	83.9	Confident	88.5	Confident	66 Å²	66	62.8 Å²	62.8	31%	0.308	31%	0.312	S	S	.	.			trans	-73.2	106.5	175.5	-177.1	69.9	-105.8	0	0	110.5	T24 K27 K37	T24-E35 HydrophobicContact CG2-CB 4.39Å; K27-E35 HydrophobicContact CD-CB 4.42Å; K27-E35 IonicContact NZ-OE2 3.2Å; K27-E35 PolarHBondContact NZ-OE2 2.88Å; E35-K37 WeakPolarHBondContact CG-O 3.33Å
36	K	85.3	Confident	88.5	Confident	148 Å²	148	66.1 Å²	66.1	64%	0.643	33%	0.332	S	S	*	.			trans	-77.8	-31	179.3	-66.6	-179.6	-178.8	179	0	112.7	F34 E185	F34-K36 HydrophobicContact CD1-CG 3.74Å; F34-K36 HydrophobicContact CE1-CG 3.96Å; F34-K36 PolarHBondContact O-N 3Å; K36-E185 WeakPolarHBondContact CE-OE1 3.36Å; K36-E185 WeakPolarHBondContact CE-OE2 3.49Å; K36-E185 IonicContact NZ-OE1 2.66Å; K36-E185 PolarHBondContact NZ-OE1 2.94Å; K36-E185 IonicContact NZ-OE2 2.77Å; K36-E185 PolarHBondContact NZ-OE2 3.5Å
37	K	88.4	Confident	88.6	Confident	152 Å²	152	67.4 Å²	67.4	66%	0.661	34%	0.338	S	S	*	.	S	Bend	trans	-90.8	125	-174.8	-173.6	178.9	178.8	-178.4	0	110	E35 V39	E35-K37 WeakPolarHBondContact CG-O 3.33Å; K37-V39 HydrophobicContact CD-CG2 4.32Å; K37-V39 HydrophobicContact CG-CG2 4.28Å; K37-V39 PolarHBondContact O-N 2.95Å
38	Y	87.8	Confident	88.7	Confident	131 Å²	131	67.8 Å²	67.8	51%	0.514	35%	0.347	S	S	.	.			trans	-73.9	115.1	170.2	-178.8	-116	0	0	0	110.4	A40 Q68	Y38-A40 HydrophobicContact CE1-CB 4.16Å; Y38-A40 WeakPolarHBondContact OH-CB 3.46Å; Y38-Q68 PolarHBondContact OH-NE2 2.89Å
39	V	88.7	Confident	88.9	Confident	96 Å²	96	67.9 Å²	67.9	58%	0.582	35%	0.348	S	S	*	.			trans	-118.8	121.8	165.1	-177.5	0	0	0	0	106.5	K37 T41	K37-V39 HydrophobicContact CD-CG2 4.32Å; K37-V39 HydrophobicContact CG-CG2 4.28Å; K37-V39 PolarHBondContact O-N 2.95Å; V39-T41 PolarHBondContact O-N 2.82Å
40	A	89.6	Confident	89.1	Confident	33 Å²	33	70.7 Å²	70.7	27%	0.273	36%	0.362	S	S	.	.			trans	-69.1	125.9	-178.9	0	0	0	0	0	110.4	Y38 L42 Q68	Y38-A40 HydrophobicContact CE1-CB 4.16Å; Y38-A40 WeakPolarHBondContact OH-CB 3.46Å; A40-L42 PolarHBondContact O-N 3.04Å; A40-Q68 HydrophobicContact CB-CG 4.41Å
41	T	85.4	Confident	89.4	Confident	12 Å²	12	67 Å²	67	7%	0.074	34%	0.342	C	S	.	.			trans	-56.1	134.2	170.9	-39.8	0	0	0	0	110.1	T23 V39 E45 D64 A66	T23-T41 PolarHBondContact OG1-OG1 2.66Å; V39-T41 PolarHBondContact O-N 2.82Å; T41-E45 HydrophobicContact CG2-CG 4.09Å; T41-D64 PolarHBondContact OG1-OD2 3.23Å; T41-A66 WeakPolarHBondContact O-CB 3.42Å
42	L	87	Confident	89.8	Confident	128 Å²	128	67.1 Å²	67.1	67%	0.67	34%	0.338	S	S	*	.			trans	-101	111.1	175.1	-60.1	179.3	0	0	0	108.4	A40 V44 F71	A40-L42 PolarHBondContact O-N 3.04Å; L42-V44 PolarHBondContact O-N 2.74Å; L42-V44 VanDerWaalsContact O-N 3.1Å; L42-F71 HydrophobicContact CD2-CE1 4.29Å; L42-F71 HydrophobicContact CD2-CE2 3.93Å; L42-F71 HydrophobicContact CD2-CZ 3.44Å; L42-F71 VanDerWaalsContact CD2-CZ 3.44Å
43	G	87.4	Confident	90.3	Very high	10 Å²	10	67.5 Å²	67.5	10%	0.103	34%	0.34	C	S	.	.	S	Bend	trans	69.9	-102.7	-176.9	0	0	0	0	0	112.7	A66 Y78	G43-A66 WeakPolarHBondContact O-CB 3.41Å; G43-A66 PolarHBondContact O-N 3.11Å; G43-Y78 VanDerWaalsContact CA-OH 3.23Å; G43-Y78 WeakPolarHBondContact CA-OH 3.49Å
44	V	91.5	Very high	90.9	Very high	39 Å²	39	63.5 Å²	63.5	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.8	-179.2	67.7	0	0	0	0	111.5	L42 V46 W63 D64 T65 Y78	L42-V44 PolarHBondContact O-N 2.74Å; L42-V44 VanDerWaalsContact O-N 3.1Å; V44-V46 HydrophobicContact CG2-CG2 4.45Å; V44-W63 HydrophobicContact CG1-CE3 4.42Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.3Å; V44-W63 HydrophobicContact CG2-CE3 3.87Å; V44-W63 HydrophobicContact CG2-CG 4.37Å; V44-D64 VanDerWaalsContact CA-O 3.31Å; V44-D64 WeakPolarHBondContact CA-O 3.49Å; V44-T65 HydrophobicContact CG2-CG2 4.32Å; V44-Y78 HydrophobicContact CB-CD1 3.81Å; V44-Y78 HydrophobicContact CB-CD2 4.41Å; V44-Y78 HydrophobicContact CB-CE1 3.77Å; V44-Y78 HydrophobicContact CB-CE2 4.36Å; V44-Y78 HydrophobicContact CB-CG 4.15Å; V44-Y78 HydrophobicContact CG1-CD1 3.53Å; V44-Y78 HydrophobicContact CG1-CE1 3.28Å; V44-Y78 HydrophobicContact CG1-CG 4.36Å; V44-Y78 HydrophobicContact CG2-CD1 4.44Å
45	E	93.5	Very high	91.4	Very high	81 Å²	81	68.5 Å²	68.5	38%	0.379	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.2	164.1	-66.8	-178.4	-170.5	0	0	109.6	T41 H47 D64	T41-E45 HydrophobicContact CG2-CG 4.09Å; E45-H47 WeakPolarHBondContact CB-NE2 3.27Å; E45-H47 IonicContact OE2-CE1 3.4Å; E45-H47 IonicContact OE2-NE2 3.3Å; E45-H47 PolarHBondContact OE2-NE2 3.09Å; E45-H47 VanDerWaalsContact OE2-NE2 3.09Å; E45-D64 PolarHBondContact N-O 3.49Å; E45-D64 PolarHBondContact O-N 2.73Å
46	V	95.7	Very high	92	Very high	70 Å²	70	67.2 Å²	67.2	42%	0.424	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.6	-178.5	-174.9	0	0	0	0	110	V44 N61 V62 W63	V44-V46 HydrophobicContact CG2-CG2 4.45Å; V46-N61 HydrophobicContact CG1-CB 4.32Å; V46-V62 WeakPolarHBondContact CA-O 3.3Å; V46-W63 HydrophobicContact CG2-CD2 3.87Å; V46-W63 HydrophobicContact CG2-CE3 4.44Å; V46-W63 HydrophobicContact CG2-CG 4.04Å; V46-W63 HydrophobicContact CG2-CZ2 4.3Å
47	H	95.5	Very high	92.4	Very high	27 Å²	27	63.9 Å²	63.9	13%	0.125	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.9	-175.7	-64.1	-84.1	0	0	0	110.4	V26 E45 L49 V62	V26-H47 HydrophobicContact CG1-CB 3.49Å; V26-H47 VanDerWaalsContact CG1-CB 3.49Å; E45-H47 WeakPolarHBondContact CB-NE2 3.27Å; E45-H47 IonicContact OE2-CE1 3.4Å; E45-H47 IonicContact OE2-NE2 3.3Å; E45-H47 PolarHBondContact OE2-NE2 3.09Å; E45-H47 VanDerWaalsContact OE2-NE2 3.09Å; H47-L49 PolarHBondContact O-N 3.48Å; H47-V62 PolarHBondContact N-O 3.3Å; H47-V62 PolarHBondContact O-N 3.45Å
48	P	95.2	Very high	92.8	Very high	71 Å²	71	56.8 Å²	56.8	46%	0.461	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	116	173.8	30.3	-32	0	0	0	110.2	R59	P48-R59 HydrophobicContact CB-CG 4.4Å
49	L	94.9	Very high	93.2	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.2	174.1	-58.9	-175.1	0	0	0	109.8	H29 L30 H47 F51 R59 F60 V62 F160	H29-L49 HydrophobicContact CB-CD1 3.64Å; H29-L49 HydrophobicContact CB-CD2 3.92Å; H29-L49 HydrophobicContact CB-CG 4.41Å; L30-L49 HydrophobicContact CB-CD2 3.92Å; L30-L49 HydrophobicContact CD1-CD2 4.08Å; H47-L49 PolarHBondContact O-N 3.48Å; L49-F51 HydrophobicContact CB-CE2 3.78Å; L49-F51 HydrophobicContact CB-CZ 4.46Å; L49-R59 CarbonylContact O-C 3.59Å; L49-R59 WeakPolarHBondContact O-CA 3.41Å; L49-F60 PolarHBondContact N-O 2.98Å; L49-F60 PolarHBondContact O-N 3.47Å; L49-V62 HydrophobicContact CD1-CG2 3.66Å; L49-V62 HydrophobicContact CG-CG2 3.99Å; L49-F160 HydrophobicContact CD1-CE1 3.97Å; L49-F160 HydrophobicContact CD1-CZ 3.69Å
50	I	94	Very high	93.7	Very high	73 Å²	73	48.5 Å²	48.5	37%	0.374	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.7	179	-60.8	175.6	0	0	0	109.3	Q57 I58 R59	I50-Q57 HydrophobicContact CG2-CB 4.15Å; I50-Q57 HydrophobicContact CG2-CG 4.14Å; I50-I58 WeakPolarHBondContact CA-O 3.28Å; I50-R59 HydrophobicContact CG1-CB 4.35Å; I50-R59 HydrophobicContact CG1-CG 4.12Å
51	F	94.7	Very high	94.1	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.022	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.4	174.3	-64.1	-96.7	0	0	0	109.8	H29 L49 Q57 I58 F60 F160 F175 P179	H29-F51 AromaticContact CD2-CE1 3.91Å; H29-F51 AromaticContact CD2-CZ 3.72Å; L49-F51 HydrophobicContact CB-CE2 3.78Å; L49-F51 HydrophobicContact CB-CZ 4.46Å; F51-Q57 WeakPolarHBondContact O-CA 3.33Å; F51-I58 HydrophobicContact CB-CD1 4.29Å; F51-I58 HydrophobicContact CB-CG1 3.84Å; F51-I58 PolarHBondContact N-O 3.43Å; F51-I58 PolarHBondContact O-N 2.95Å; F51-F60 AromaticContact CD2-CD2 3.78Å; F51-F60 HydrophobicContact CD2-CD2 3.78Å; F51-F60 HydrophobicContact CD2-CE2 4.22Å; F51-F60 AromaticContact CE2-CD2 3.76Å; F51-F60 HydrophobicContact CE2-CD2 3.76Å; F51-F60 HydrophobicContact CE2-CE2 4.4Å; F51-F160 HydrophobicContact CE1-CB 3.98Å; F51-F160 HydrophobicContact CE1-CD2 4.21Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.1Å; F51-F160 AromaticContact CE2-CD1 3.58Å; F51-F160 HydrophobicContact CE2-CD1 3.58Å; F51-F160 HydrophobicContact CE2-CD2 4.41Å; F51-F160 HydrophobicContact CE2-CE1 4.02Å; F51-F160 AromaticContact CE2-CG 3.78Å; F51-F160 HydrophobicContact CE2-CG 3.78Å; F51-F160 HydrophobicContact CZ-CB 3.72Å; F51-F160 AromaticContact CZ-CD1 3.62Å; F51-F160 HydrophobicContact CZ-CD1 3.62Å; F51-F160 AromaticContact CZ-CD2 3.6Å; F51-F160 HydrophobicContact CZ-CD2 3.6Å; F51-F160 HydrophobicContact CZ-CE1 4.06Å; F51-F160 HydrophobicContact CZ-CE2 4.06Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.27Å; F51-F175 HydrophobicContact CB-CD1 4.05Å; F51-F175 HydrophobicContact CB-CE1 3.6Å; F51-F175 HydrophobicContact CB-CZ 3.96Å; F51-F175 HydrophobicContact CD1-CD1 4.48Å; F51-F175 HydrophobicContact CD1-CD2 4.14Å; F51-F175 HydrophobicContact CD1-CE1 4Å; F51-F175 AromaticContact CD1-CE2 3.59Å; F51-F175 HydrophobicContact CD1-CE2 3.59Å; F51-F175 AromaticContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CE1-CE2 4.01Å; F51-F175 HydrophobicContact CE1-CZ 4.16Å; F51-F175 AromaticContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE2 4.34Å; F51-F175 AromaticContact CG-CZ 3.8Å; F51-F175 HydrophobicContact CG-CZ 3.8Å; F51-P179 HydrophobicContact CD1-CG 4.45Å; F51-P179 HydrophobicContact CE1-CG 4.2Å
52	H	94.5	Very high	94.7	Very high	81 Å²	81	48.9 Å²	48.9	38%	0.375	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.5	177.2	-66.3	77.4	0	0	0	108.9	Q57 F175 V176 A177	H52-Q57 PolarHBondContact NE2-NE2 3.01Å; H52-F175 CarbonylContact O-C 3.56Å; H52-F175 VanDerWaalsContact O-CA 3.29Å; H52-F175 WeakPolarHBondContact O-CA 3.35Å; H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 PolarHBondContact O-N 2.79Å; H52-A177 HydrophobicContact CB-CB 4.19Å
53	T	95.8	Very high	95.1	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	167.3	-178.1	81.4	0	0	0	0	111.5	R55 G56 I58 L173 E174 F175	T53-R55 PolarHBondContact O-N 2.88Å; T53-R55 VanDerWaalsContact O-N 3.09Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.33Å; T53-G56 WeakPolarHBondContact CA-O 3.48Å; T53-G56 WeakPolarHBondContact CB-O 3.39Å; T53-G56 PolarHBondContact N-O 3.23Å; T53-G56 PolarHBondContact O-N 3.44Å; T53-G56 VanDerWaalsContact O-N 3.12Å; T53-G56 PolarHBondContact OG1-N 3.48Å; T53-G56 PolarHBondContact OG1-O 3.44Å; T53-I58 HydrophobicContact CG2-CD1 3.95Å; T53-I58 HydrophobicContact CG2-CG1 3.96Å; T53-I58 HydrophobicContact CG2-CG2 4.09Å; T53-L173 HydrophobicContact CG2-CD1 4.19Å; T53-L173 HydrophobicContact CG2-CD2 3.9Å; T53-L173 HydrophobicContact CG2-CG 4.2Å; T53-E174 CarbonylContact C-O 3.48Å; T53-E174 WeakPolarHBondContact CA-O 3.16Å; T53-E174 WeakPolarHBondContact CB-O 3.45Å; T53-F175 HydrophobicContact CG2-CD1 3.98Å; T53-F175 HydrophobicContact CG2-CE1 4.09Å
54	N	96.2	Very high	95.5	Very high	53 Å²	53	45.3 Å²	45.3	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	3.4	167.7	64.9	-16.5	0	0	0	114.1	N172 L173 E174 V176	N54-N172 PolarHBondContact ND2-O 2.83Å; N54-L173 WeakPolarHBondContact OD1-CA 3.27Å; N54-E174 PolarHBondContact N-O 3.49Å; N54-E174 PolarHBondContact OD1-N 2.9Å; N54-E174 PolarHBondContact OD1-O 3.48Å; N54-V176 HydrophobicContact CB-CG1 3.88Å
55	R	95.3	Very high	95.6	Very high	148 Å²	148	43.5 Å²	43.5	56%	0.558	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	9.7	173.1	-57.4	-62.3	179.4	-105.5	-7.3	113.2	T53 D170 L173	T53-R55 PolarHBondContact O-N 2.88Å; T53-R55 VanDerWaalsContact O-N 3.09Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.33Å; R55-D170 IonicContact CZ-OD2 2.75Å; R55-D170 VanDerWaalsContact CZ-OD2 3.3Å; R55-D170 IonicContact NE-OD2 3.93Å; R55-D170 PolarHBondContact NE-OD2 3.21Å; R55-D170 IonicContact NH2-OD2 2.98Å; R55-D170 PolarHBondContact NH2-OD2 3.44Å; R55-L173 HydrophobicContact CB-CD1 4.32Å; R55-L173 HydrophobicContact CG-CD1 4.09Å
56	G	94.8	Very high	95.4	Very high	39 Å²	39	39.9 Å²	39.9	40%	0.402	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	105.1	-169.5	-174.2	0	0	0	0	0	112.7	T53	T53-G56 WeakPolarHBondContact CA-O 3.48Å; T53-G56 WeakPolarHBondContact CB-O 3.39Å; T53-G56 PolarHBondContact N-O 3.23Å; T53-G56 PolarHBondContact O-N 3.44Å; T53-G56 VanDerWaalsContact O-N 3.12Å; T53-G56 PolarHBondContact OG1-N 3.48Å; T53-G56 PolarHBondContact OG1-O 3.44Å
57	Q	95.3	Very high	94.8	Very high	79 Å²	79	37 Å²	37	37%	0.369	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	146.8	-179.9	-71.4	176	-8.6	0	0	111	I7 I50 F51 H52	I7-Q57 HydrophobicContact CD1-CB 4.41Å; I7-Q57 HydrophobicContact CG1-CB 4.34Å; I7-Q57 HydrophobicContact CG2-CB 4.03Å; I50-Q57 HydrophobicContact CG2-CB 4.15Å; I50-Q57 HydrophobicContact CG2-CG 4.14Å; F51-Q57 WeakPolarHBondContact O-CA 3.33Å; H52-Q57 PolarHBondContact NE2-NE2 3.01Å
58	I	96.3	Very high	94.1	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.1	166.5	65.3	175	0	0	0	108.8	I50 F51 T53 F60 A164 L168 F175	I50-I58 WeakPolarHBondContact CA-O 3.28Å; F51-I58 HydrophobicContact CB-CD1 4.29Å; F51-I58 HydrophobicContact CB-CG1 3.84Å; F51-I58 PolarHBondContact N-O 3.43Å; F51-I58 PolarHBondContact O-N 2.95Å; T53-I58 HydrophobicContact CG2-CD1 3.95Å; T53-I58 HydrophobicContact CG2-CG1 3.96Å; T53-I58 HydrophobicContact CG2-CG2 4.09Å; I58-F60 HydrophobicContact CD1-CE2 3.76Å; I58-F60 HydrophobicContact CD1-CZ 4.29Å; I58-F60 HydrophobicContact CG1-CE2 4.46Å; I58-A164 HydrophobicContact CD1-CB 3.34Å; I58-L168 HydrophobicContact CG2-CD1 3.82Å; I58-F175 HydrophobicContact CD1-CE1 4.21Å
59	R	96.8	Very high	93.1	Very high	53 Å²	53	41.2 Å²	41.2	20%	0.2	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130	177.4	-173	-173.9	-62.9	136.9	-8.3	110.5	G4 I7 P8 T9 F10 P48 L49 I50 N61	G4-R59 PolarHBondContact O-NH2 3.49Å; I7-R59 HydrophobicContact CG2-CB 3.99Å; P8-R59 PolarHBondContact O-N 3.03Å; T9-R59 CarbonylContact C-O 3.55Å; T9-R59 VanDerWaalsContact CA-O 3.32Å; T9-R59 WeakPolarHBondContact CA-O 3.41Å; T9-R59 HydrophobicContact CG2-CB 4.23Å; T9-R59 HydrophobicContact CG2-CG 4.22Å; T9-R59 PolarHBondContact OG1-NH1 2.98Å; F10-R59 PolarHBondContact N-O 3.3Å; P48-R59 HydrophobicContact CB-CG 4.4Å; L49-R59 CarbonylContact O-C 3.59Å; L49-R59 WeakPolarHBondContact O-CA 3.41Å; I50-R59 HydrophobicContact CG1-CB 4.35Å; I50-R59 HydrophobicContact CG1-CG 4.12Å; R59-N61 WeakPolarHBondContact CD-OD1 3.18Å
60	F	98	Very high	92.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117	162.5	-68.8	-77.6	0	0	0	108.7	F10 L12 L49 F51 I58 V62 F160 L163 A164 L167	F10-F60 HydrophobicContact CB-CD1 3.96Å; F10-F60 HydrophobicContact CB-CE1 4.11Å; F10-F60 HydrophobicContact CD2-CE1 4.4Å; F10-F60 CarbonylContact O-C 3.59Å; F10-F60 WeakPolarHBondContact O-CA 3.5Å; L12-F60 HydrophobicContact CB-CB 4.33Å; L12-F60 HydrophobicContact CB-CD1 4.03Å; L12-F60 HydrophobicContact CD1-CB 4.47Å; L12-F60 HydrophobicContact CD1-CD1 3.85Å; L12-F60 HydrophobicContact CD1-CE1 4.3Å; L12-F60 HydrophobicContact CD1-CG 4.21Å; L49-F60 PolarHBondContact N-O 2.98Å; L49-F60 PolarHBondContact O-N 3.47Å; F51-F60 AromaticContact CD2-CD2 3.78Å; F51-F60 HydrophobicContact CD2-CD2 3.78Å; F51-F60 HydrophobicContact CD2-CE2 4.22Å; F51-F60 AromaticContact CE2-CD2 3.76Å; F51-F60 HydrophobicContact CE2-CD2 3.76Å; F51-F60 HydrophobicContact CE2-CE2 4.4Å; I58-F60 HydrophobicContact CD1-CE2 3.76Å; I58-F60 HydrophobicContact CD1-CZ 4.29Å; I58-F60 HydrophobicContact CG1-CE2 4.46Å; F60-V62 HydrophobicContact CB-CG2 4Å; F60-V62 PolarHBondContact O-N 3.03Å; F60-F160 HydrophobicContact CB-CE1 4.35Å; F60-F160 AromaticContact CD2-CD1 3.6Å; F60-F160 HydrophobicContact CD2-CD1 3.6Å; F60-F160 HydrophobicContact CD2-CE1 4.24Å; F60-F160 HydrophobicContact CE2-CB 4.25Å; F60-F160 AromaticContact CE2-CD1 3.9Å; F60-F160 HydrophobicContact CE2-CD1 3.9Å; F60-F160 HydrophobicContact CG-CD1 4.07Å; F60-F160 HydrophobicContact CG-CE1 4.35Å; F60-L163 HydrophobicContact CE1-CB 4.25Å; F60-L163 HydrophobicContact CZ-CB 4.06Å; F60-A164 HydrophobicContact CE2-CB 4.45Å; F60-A164 HydrophobicContact CZ-CB 4.2Å; F60-L167 HydrophobicContact CE1-CD1 3.62Å; F60-L167 HydrophobicContact CZ-CD1 4.19Å
61	N	97.7	Very high	90.9	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	97.7	162.8	-74.4	-16	0	0	0	106.6	T9 F10 L12 V46 R59 W63	T9-N61 VanDerWaalsContact CG2-ND2 3.34Å; T9-N61 WeakPolarHBondContact CG2-ND2 3.38Å; F10-N61 PolarHBondContact O-N 3.49Å; L12-N61 PolarHBondContact N-O 2.91Å; V46-N61 HydrophobicContact CG1-CB 4.32Å; R59-N61 WeakPolarHBondContact CD-OD1 3.18Å; N61-W63 PolarHBondContact O-N 3.17Å
62	V	98	Very high	89.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115.8	-177.1	-177.7	0	0	0	0	109.7	L12 L14 V26 V46 H47 L49 F60 D64 F160	L12-V62 HydrophobicContact CB-CG2 4.3Å; L12-V62 HydrophobicContact CD2-CG1 3.88Å; L12-V62 HydrophobicContact CD2-CG2 4.26Å; L12-V62 CarbonylContact O-C 3.55Å; L12-V62 WeakPolarHBondContact O-CA 3.3Å; L14-V62 HydrophobicContact CB-CG1 4.02Å; L14-V62 HydrophobicContact CD2-CG1 4.28Å; V26-V62 HydrophobicContact CG1-CB 4.48Å; V26-V62 HydrophobicContact CG1-CG1 4.39Å; V26-V62 HydrophobicContact CG2-CG1 3.62Å; V46-V62 WeakPolarHBondContact CA-O 3.3Å; H47-V62 PolarHBondContact N-O 3.3Å; H47-V62 PolarHBondContact O-N 3.45Å; L49-V62 HydrophobicContact CD1-CG2 3.66Å; L49-V62 HydrophobicContact CG-CG2 3.99Å; F60-V62 HydrophobicContact CB-CG2 4Å; F60-V62 PolarHBondContact O-N 3.03Å; V62-D64 PolarHBondContact O-N 2.88Å; V62-F160 HydrophobicContact CG2-CE1 4.06Å; V62-F160 HydrophobicContact CG2-CZ 4.42Å
63	W	97	Very high	88.2	Confident	64 Å²	64	49 Å²	49	24%	0.242	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	92.8	172.8	-71.7	52	0	0	0	107.6	K11 L12 L14 V44 V46 N61 T65 Y78	K11-W63 HydrophobicContact CD-CD2 4.39Å; K11-W63 HydrophobicContact CD-CZ2 4.25Å; K11-W63 VanDerWaalsContact CE-CE2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.43Å; L12-W63 PolarHBondContact O-N 3.02Å; L14-W63 PolarHBondContact N-O 3.04Å; V44-W63 HydrophobicContact CG1-CE3 4.42Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.3Å; V44-W63 HydrophobicContact CG2-CE3 3.87Å; V44-W63 HydrophobicContact CG2-CG 4.37Å; V46-W63 HydrophobicContact CG2-CD2 3.87Å; V46-W63 HydrophobicContact CG2-CE3 4.44Å; V46-W63 HydrophobicContact CG2-CG 4.04Å; V46-W63 HydrophobicContact CG2-CZ2 4.3Å; N61-W63 PolarHBondContact O-N 3.17Å; W63-T65 PolarHBondContact O-N 3.49Å; W63-Y78 HydrophobicContact CE3-CD1 4.29Å; W63-Y78 HydrophobicContact CZ3-CD1 4.12Å
64	D	95.6	Very high	87	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	105.9	173.7	-179.5	31.1	0	0	0	109.4	K22 T23 V26 T41 V44 E45 V62	K22-D64 VanDerWaalsContact CB-OD1 3.3Å; K22-D64 WeakPolarHBondContact CB-OD1 3.45Å; T23-D64 VanDerWaalsContact CA-OD2 3.26Å; T23-D64 WeakPolarHBondContact CA-OD2 3.34Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.33Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.28Å; T23-D64 PolarHBondContact OG1-OD2 3.45Å; V26-D64 HydrophobicContact CG2-CB 4.42Å; T41-D64 PolarHBondContact OG1-OD2 3.23Å; V44-D64 VanDerWaalsContact CA-O 3.31Å; V44-D64 WeakPolarHBondContact CA-O 3.49Å; E45-D64 PolarHBondContact N-O 3.49Å; E45-D64 PolarHBondContact O-N 2.73Å; V62-D64 PolarHBondContact O-N 2.88Å
65	T	92.8	Very high	86.1	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	149.7	-174.1	67.4	0	0	0	0	112.6	V13 L14 V15 K22 V44 W63 G67 Y78	V13-T65 HydrophobicContact CG1-CG2 4.2Å; L14-T65 PolarHBondContact O-N 2.98Å; L14-T65 PolarHBondContact O-OG1 2.96Å; V15-T65 HydrophobicContact CG1-CG2 4.47Å; K22-T65 WeakPolarHBondContact CE-O 3.35Å; V44-T65 HydrophobicContact CG2-CG2 4.32Å; W63-T65 PolarHBondContact O-N 3.49Å; T65-G67 PolarHBondContact O-N 3.45Å; T65-Y78 HydrophobicContact CG2-CD2 4.46Å
66	A	89.7	Confident	85.6	Confident	5 Å²	5	48.2 Å²	48.2	4%	0.041	27%	0.266	C	S	.	.			trans	-63.5	123.4	172.4	0	0	0	0	0	111.5	T41 G43 Q68 F71	T41-A66 WeakPolarHBondContact O-CB 3.42Å; G43-A66 WeakPolarHBondContact O-CB 3.41Å; G43-A66 PolarHBondContact O-N 3.11Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; A66-F71 HydrophobicContact CB-CB 4Å; A66-F71 HydrophobicContact CB-CD2 3.71Å; A66-F71 HydrophobicContact CB-CG 4.14Å
67	G	83.5	Confident	85.4	Confident	8 Å²	8	48.4 Å²	48.4	8%	0.082	27%	0.268	C	S	.	.			trans	-87.1	3.9	178.3	0	0	0	0	0	115.1	G16 G18 T65	G16-G67 WeakPolarHBondContact O-CA 3.37Å; G18-G67 PolarHBondContact N-O 3.23Å; T65-G67 PolarHBondContact O-N 3.45Å
68	Q	80.9	Confident	85.2	Confident	65 Å²	65	46.6 Å²	46.6	30%	0.304	26%	0.258	S	S	.	.	S	Bend	trans	-88.1	138.1	-177.4	-58.5	-69.2	-29.7	0	0	110	Y38 A40 A66 K70 F71 R75	Y38-Q68 PolarHBondContact OH-NE2 2.89Å; A40-Q68 HydrophobicContact CB-CG 4.41Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-K70 HydrophobicContact CB-CG 4.1Å; Q68-K70 PolarHBondContact O-N 3.38Å; Q68-F71 HydrophobicContact CB-CD2 3.79Å; Q68-F71 HydrophobicContact CB-CE2 4.16Å; Q68-F71 HydrophobicContact CG-CD2 4.45Å; Q68-F71 HydrophobicContact CG-CE2 4.45Å; Q68-F71 PolarHBondContact O-N 3.32Å; Q68-F71 VanDerWaalsContact O-N 3.07Å; Q68-R75 PolarHBondContact O-NH2 3.06Å
69	E	74.1	Confident	85.1	Confident	123 Å²	123	46.5 Å²	46.5	58%	0.575	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61.4	-33.1	-177.6	-64.4	-69.1	-158.6	0	0	113.5	F71 G72 R75	E69-F71 PolarHBondContact O-N 3.35Å; E69-G72 PolarHBondContact O-N 3.14Å; E69-R75 IonicContact OE2-CZ 3.5Å; E69-R75 IonicContact OE2-NH1 2.5Å; E69-R75 PolarHBondContact OE2-NH1 3.39Å; E69-R75 IonicContact OE2-NH2 2.87Å; E69-R75 PolarHBondContact OE2-NH2 3.35Å
70	K	75.4	Confident	85	Confident	163 Å²	163	48.4 Å²	48.4	71%	0.709	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-59.8	-16.4	176.4	68.8	-176	-178.2	177.6	0	114.5	Q68	Q68-K70 HydrophobicContact CB-CG 4.1Å; Q68-K70 PolarHBondContact O-N 3.38Å
71	F	67.6	Low	84.9	Confident	55 Å²	55	56.1 Å²	56.1	24%	0.241	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-102.9	9.8	175.4	-57.3	-59.9	0	0	0	112.9	L42 A66 Q68 E69 G73 L74	L42-F71 HydrophobicContact CD2-CE1 4.29Å; L42-F71 HydrophobicContact CD2-CE2 3.93Å; L42-F71 HydrophobicContact CD2-CZ 3.44Å; L42-F71 VanDerWaalsContact CD2-CZ 3.44Å; A66-F71 HydrophobicContact CB-CB 4Å; A66-F71 HydrophobicContact CB-CD2 3.71Å; A66-F71 HydrophobicContact CB-CG 4.14Å; Q68-F71 HydrophobicContact CB-CD2 3.79Å; Q68-F71 HydrophobicContact CB-CE2 4.16Å; Q68-F71 HydrophobicContact CG-CD2 4.45Å; Q68-F71 HydrophobicContact CG-CE2 4.45Å; Q68-F71 PolarHBondContact O-N 3.32Å; Q68-F71 VanDerWaalsContact O-N 3.07Å; E69-F71 PolarHBondContact O-N 3.35Å; F71-G73 VanDerWaalsContact C-N 3.3Å; F71-G73 PolarHBondContact O-N 2.82Å; F71-L74 PolarHBondContact O-N 3.38Å
72	G	64.5	Low	84.9	Confident	24 Å²	24	54.1 Å²	54.1	25%	0.247	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-57.6	-35.6	-176.1	0	0	0	0	0	114.9	E69 L74 R75	E69-G72 PolarHBondContact O-N 3.14Å; G72-L74 PolarHBondContact O-N 2.84Å; G72-L74 VanDerWaalsContact O-N 3.12Å; G72-R75 WeakPolarHBondContact O-CB 3.23Å; G72-R75 WeakPolarHBondContact O-CG 3.28Å; G72-R75 PolarHBondContact O-N 2.83Å; G72-R75 VanDerWaalsContact O-N 3.14Å
73	G	66.4	Low	84.9	Confident	86 Å²	86	57.9 Å²	57.9	89%	0.887	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.6	-173.8	0	0	0	0	0	116.1	F71	F71-G73 VanDerWaalsContact C-N 3.3Å; F71-G73 PolarHBondContact O-N 2.82Å
74	L	71.3	Confident	85	Confident	113 Å²	113	54.8 Å²	54.8	59%	0.592	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-101.5	-2	178.7	-64.6	176	0	0	0	113.5	F71 G72 D76 G77 Y78	F71-L74 PolarHBondContact O-N 3.38Å; G72-L74 PolarHBondContact O-N 2.84Å; G72-L74 VanDerWaalsContact O-N 3.12Å; L74-D76 PolarHBondContact O-N 2.8Å; L74-G77 PolarHBondContact O-N 3.25Å; L74-Y78 HydrophobicContact CB-CE2 3.95Å; L74-Y78 WeakPolarHBondContact O-CD2 3.39Å
75	R	78.4	Confident	85.1	Confident	17 Å²	17	54.8 Å²	54.8	6%	0.064	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-44.6	-169.4	-74.9	178.5	-175.9	162.1	10.7	113.3	Q68 E69 G72 G77 Y78 Y79 W103	Q68-R75 PolarHBondContact O-NH2 3.06Å; E69-R75 IonicContact OE2-CZ 3.5Å; E69-R75 IonicContact OE2-NH1 2.5Å; E69-R75 PolarHBondContact OE2-NH1 3.39Å; E69-R75 IonicContact OE2-NH2 2.87Å; E69-R75 PolarHBondContact OE2-NH2 3.35Å; G72-R75 WeakPolarHBondContact O-CB 3.23Å; G72-R75 WeakPolarHBondContact O-CG 3.28Å; G72-R75 PolarHBondContact O-N 2.83Å; G72-R75 VanDerWaalsContact O-N 3.14Å; R75-G77 VanDerWaalsContact C-N 3.25Å; R75-G77 PolarHBondContact O-N 3.23Å; R75-Y78 WeakPolarHBondContact O-CB 3.16Å; R75-Y78 PolarHBondContact O-N 2.84Å; R75-Y79 HydrophobicContact CB-CE2 4.08Å; R75-Y79 WeakPolarHBondContact O-CD1 3.19Å; R75-Y79 PolarHBondContact O-N 3.19Å; R75-W103 VanDerWaalsContact NE-CH2 3.28Å
76	D	83.2	Confident	85.4	Confident	63 Å²	63	54.8 Å²	54.8	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-58.4	-39	-177.1	-71.7	11	0	0	0	112.1	L74 Y78 Y79 I80 R109 V110	L74-D76 PolarHBondContact O-N 2.8Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.03Å; D76-Y79 WeakPolarHBondContact O-CB 3.34Å; D76-Y79 PolarHBondContact O-N 3.05Å; D76-I80 PolarHBondContact O-N 3.47Å; D76-R109 IonicContact OD1-CZ 2.68Å; D76-R109 IonicContact OD1-NH2 2.66Å; D76-R109 PolarHBondContact OD1-NH2 2.73Å; D76-R109 IonicContact OD2-CZ 3.23Å; D76-R109 IonicContact OD2-NE 3.66Å; D76-R109 IonicContact OD2-NH2 2.84Å; D76-R109 PolarHBondContact OD2-NH2 2.95Å; D76-V110 HydrophobicContact CB-CG2 4.06Å
77	G	90.5	Very high	85.8	Confident	43 Å²	43	54.5 Å²	54.5	44%	0.443	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-33.5	177.4	0	0	0	0	0	113	L74 R75 Y79	L74-G77 PolarHBondContact O-N 3.25Å; R75-G77 VanDerWaalsContact C-N 3.25Å; R75-G77 PolarHBondContact O-N 3.23Å; G77-Y79 VanDerWaalsContact C-N 3.3Å; G77-Y79 PolarHBondContact O-N 3.32Å
78	Y	92.1	Very high	86.5	Confident	40 Å²	40	54.2 Å²	54.2	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-71.9	-26.6	175.8	-56.5	-42.9	0	0	0	112.4	K11 G43 V44 W63 T65 L74 R75 D76	K11-Y78 WeakPolarHBondContact CE-O 3.49Å; K11-Y78 PolarHBondContact NZ-O 3.37Å; G43-Y78 VanDerWaalsContact CA-OH 3.23Å; G43-Y78 WeakPolarHBondContact CA-OH 3.49Å; V44-Y78 HydrophobicContact CB-CD1 3.81Å; V44-Y78 HydrophobicContact CB-CD2 4.41Å; V44-Y78 HydrophobicContact CB-CE1 3.77Å; V44-Y78 HydrophobicContact CB-CE2 4.36Å; V44-Y78 HydrophobicContact CB-CG 4.15Å; V44-Y78 HydrophobicContact CG1-CD1 3.53Å; V44-Y78 HydrophobicContact CG1-CE1 3.28Å; V44-Y78 HydrophobicContact CG1-CG 4.36Å; V44-Y78 HydrophobicContact CG2-CD1 4.44Å; W63-Y78 HydrophobicContact CE3-CD1 4.29Å; W63-Y78 HydrophobicContact CZ3-CD1 4.12Å; T65-Y78 HydrophobicContact CG2-CD2 4.46Å; L74-Y78 HydrophobicContact CB-CE2 3.95Å; L74-Y78 WeakPolarHBondContact O-CD2 3.39Å; R75-Y78 WeakPolarHBondContact O-CB 3.16Å; R75-Y78 PolarHBondContact O-N 2.84Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.03Å
79	Y	94.2	Very high	87.4	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-78.6	-31.8	-178	-56.6	-20.9	0	0	0	112.9	V13 V15 R75 D76 G77 Q81 G82 D106 L107 V110 C111	V13-Y79 HydrophobicContact CG1-CD1 3.51Å; V13-Y79 HydrophobicContact CG1-CE1 3.74Å; V15-Y79 HydrophobicContact CG1-CD1 4.49Å; V15-Y79 HydrophobicContact CG1-CE1 3.52Å; R75-Y79 HydrophobicContact CB-CE2 4.08Å; R75-Y79 WeakPolarHBondContact O-CD1 3.19Å; R75-Y79 PolarHBondContact O-N 3.19Å; D76-Y79 WeakPolarHBondContact O-CB 3.34Å; D76-Y79 PolarHBondContact O-N 3.05Å; G77-Y79 VanDerWaalsContact C-N 3.3Å; G77-Y79 PolarHBondContact O-N 3.32Å; Y79-Q81 PolarHBondContact O-N 3.41Å; Y79-G82 WeakPolarHBondContact O-CA 3.3Å; Y79-G82 PolarHBondContact O-N 3.35Å; Y79-D106 HydrophobicContact CE2-CB 4.16Å; Y79-L107 HydrophobicContact CD1-CD1 4.13Å; Y79-L107 HydrophobicContact CG-CD1 4.15Å; Y79-V110 HydrophobicContact CD2-CB 4.36Å; Y79-V110 HydrophobicContact CD2-CG2 4.07Å; Y79-C111 PolarHBondContact O-SG 2.92Å
80	I	94.3	Very high	88.5	Confident	93 Å²	93	45.7 Å²	45.7	48%	0.477	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	127.9	-177.1	-66	172.2	0	0	0	111.7	K11 D76 G82 V110	K11-I80 WeakPolarHBondContact CE-O 3.37Å; K11-I80 PolarHBondContact NZ-O 2.95Å; D76-I80 PolarHBondContact O-N 3.47Å; I80-G82 PolarHBondContact O-N 3.1Å; I80-V110 HydrophobicContact CG1-CG1 4.08Å
81	Q	95.3	Very high	89.6	Confident	163 Å²	163	37.9 Å²	37.9	76%	0.762	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	20.5	-177.9	-60.8	170.8	-15.3	0	0	115.1	Y79 Q83	Y79-Q81 PolarHBondContact O-N 3.41Å; Q81-Q83 PolarHBondContact O-N 2.89Å
82	G	97.3	Very high	91	Very high	8 Å²	8	37.3 Å²	37.3	8%	0.082	23%	0.226	C	C	.	.			trans	-56.9	132.9	166.7	0	0	0	0	0	110.1	Y79 I80 I114	Y79-G82 WeakPolarHBondContact O-CA 3.3Å; Y79-G82 PolarHBondContact O-N 3.35Å; I80-G82 PolarHBondContact O-N 3.1Å; G82-I114 WeakPolarHBondContact O-CG2 3.4Å
83	Q	98.3	Very high	92.6	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.374	23%	0.225	S	C	.	.			trans	-104.8	-21.9	178.9	-68.4	167.5	-80.3	0	0	111.5	F10 K11 Q81 P115 L167	F10-Q83 VanDerWaalsContact CA-OE1 3.28Å; K11-Q83 PolarHBondContact O-N 3.49Å; Q81-Q83 PolarHBondContact O-N 2.89Å; Q83-P115 WeakPolarHBondContact O-CD 3.4Å; Q83-L167 HydrophobicContact CB-CD2 4.34Å; Q83-L167 WeakPolarHBondContact O-CD2 3.48Å
84	C	98.7	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.7	173.1	56.8	0	0	0	0	110	K11 L12 V13 P115 L163 L167	K11-C84 PolarHBondContact O-N 3.34Å; L12-C84 WeakPolarHBondContact CA-O 3.45Å; L12-C84 VanDerWaalsContact CB-SG 3.58Å; V13-C84 PolarHBondContact N-O 2.91Å; C84-P115 VanDerWaalsContact CA-O 3.28Å; C84-P115 WeakPolarHBondContact CA-O 3.49Å; C84-P115 HydrophobicContact CB-CG 3.97Å; C84-P115 WeakPolarHBondContact CB-O 3.38Å; C84-L163 HydrophobicContact CB-CD1 4.17Å; C84-L163 HydrophobicContact CB-CD2 3.72Å; C84-L163 HydrophobicContact CB-CG 4.39Å; C84-L167 HydrophobicContact CB-CD1 4.04Å; C84-L167 HydrophobicContact CB-CD2 4.47Å
85	A	98.6	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.9	174.7	0	0	0	0	0	114	V13 L107 I114 P115 I116 V117	V13-A85 HydrophobicContact CB-CB 4.31Å; V13-A85 CarbonylContact O-C 3.47Å; V13-A85 WeakPolarHBondContact O-CA 3.29Å; V13-A85 VanDerWaalsContact O-CB 3.3Å; V13-A85 WeakPolarHBondContact O-CB 3.37Å; A85-L107 HydrophobicContact CB-CD1 4.2Å; A85-L107 HydrophobicContact CB-CD2 3.4Å; A85-L107 VanDerWaalsContact CB-CD2 3.4Å; A85-L107 HydrophobicContact CB-CG 4.42Å; A85-I114 HydrophobicContact CB-CD1 4.08Å; A85-P115 PolarHBondContact N-O 3.37Å; A85-I116 HydrophobicContact CB-CG1 4.13Å; A85-I116 HydrophobicContact CB-CG2 4.48Å; A85-I116 WeakPolarHBondContact O-CA 3.08Å; A85-V117 PolarHBondContact O-N 3.04Å
86	I	98.7	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.5	164.4	-64.5	174.5	0	0	0	107.5	L12 V13 L14 V15 F25 V117 C119 P159 F160 L163	L12-I86 HydrophobicContact CD1-CD1 4.07Å; L12-I86 HydrophobicContact CD1-CG1 4.31Å; L12-I86 HydrophobicContact CD2-CB 4.46Å; L12-I86 HydrophobicContact CD2-CD1 4.2Å; L12-I86 HydrophobicContact CD2-CG1 4.19Å; V13-I86 PolarHBondContact O-N 3.45Å; L14-I86 HydrophobicContact CD1-CB 3.7Å; L14-I86 HydrophobicContact CD1-CG2 3.61Å; V15-I86 PolarHBondContact N-O 2.98Å; F25-I86 HydrophobicContact CE1-CD1 4.05Å; I86-V117 CarbonylContact C-O 3.57Å; I86-V117 VanDerWaalsContact CA-O 3.3Å; I86-V117 WeakPolarHBondContact CA-O 3.43Å; I86-V117 HydrophobicContact CG1-CB 4.37Å; I86-C119 HydrophobicContact CG2-CB 4.18Å; I86-P159 HydrophobicContact CD1-CB 3.81Å; I86-P159 HydrophobicContact CG1-CB 4.44Å; I86-F160 HydrophobicContact CD1-CZ 4.43Å; I86-L163 HydrophobicContact CD1-CD1 4.34Å; I86-L163 HydrophobicContact CG1-CD1 3.97Å
87	I	98.3	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.2	168.3	-52	-179.1	0	0	0	107.1	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; I87-V100 HydrophobicContact CG2-CG1 4.19Å; I87-V100 HydrophobicContact CG2-CG2 4.3Å; I87-W103 HydrophobicContact CG2-CB 4.13Å; I87-H104 HydrophobicContact CD1-CB 3.76Å; I87-L107 HydrophobicContact CD1-CD2 4.48Å; I87-I116 HydrophobicContact CD1-CG2 3.94Å; I87-I116 HydrophobicContact CG1-CG2 3.9Å; I87-V117 PolarHBondContact N-O 3.26Å; I87-L118 HydrophobicContact CB-CD1 4.11Å; I87-L118 HydrophobicContact CG2-CD1 4.15Å; I87-L118 WeakPolarHBondContact O-CA 3.5Å; I87-C119 PolarHBondContact O-N 2.86Å
88	M	98.6	Very high	97.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.1	-178	-169.2	175.8	-66.4	0	0	111.4	L14 V15 G16 K22 F25 C119 N121 I148	L14-M88 HydrophobicContact CD1-CB 4.5Å; L14-M88 HydrophobicContact CD1-CE 4.24Å; V15-M88 PolarHBondContact O-N 3.1Å; G16-M88 WeakPolarHBondContact CA-O 3.5Å; K22-M88 HydrophobicContact CG-CB 4.02Å; K22-M88 HydrophobicContact CG-SD 4.06Å; K22-M88 PolarHBondContact N-SD 2.82Å; F25-M88 HydrophobicContact CB-CE 3.76Å; F25-M88 HydrophobicContact CD1-CE 3.92Å; F25-M88 HydrophobicContact CD2-CE 4.24Å; F25-M88 HydrophobicContact CG-CE 3.72Å; M88-C119 WeakPolarHBondContact CA-O 3.05Å; M88-N121 HydrophobicContact CG-CB 3.99Å; M88-N121 HydrophobicContact SD-CB 3.9Å; M88-I148 HydrophobicContact CE-CD1 3.88Å
89	F	98.7	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	170.1	165.9	72.7	-85.7	0	0	0	110.5	V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145	F89-V91 HydrophobicContact CE2-CG1 3.93Å; F89-V91 HydrophobicContact CZ-CG1 4.48Å; F89-Y97 AromaticContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD2-CD2 4Å; F89-Y97 HydrophobicContact CD2-CG 4.33Å; F89-Y97 AromaticContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CE2 4.33Å; F89-Y97 AromaticContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CG 4.37Å; F89-Y97 HydrophobicContact CG-CD2 4.04Å; F89-Y97 AromaticContact CZ-CD2 3.84Å; F89-Y97 HydrophobicContact CZ-CD2 3.84Å; F89-Y97 HydrophobicContact CZ-CE2 4.4Å; F89-V100 HydrophobicContact CB-CG2 4.01Å; F89-V100 HydrophobicContact CD1-CG2 4.14Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.97Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.89Å; F89-C119 WeakPolarHBondContact CD1-O 3.48Å; F89-C119 PolarHBondContact N-O 2.89Å; F89-G120 VanDerWaalsContact CZ-CA 3.41Å; F89-N121 PolarHBondContact O-N 3.48Å; F89-V130 HydrophobicContact CE2-CB 4.22Å; F89-V130 HydrophobicContact CE2-CG1 3.92Å; F89-I135 HydrophobicContact CE2-CD1 4.38Å; F89-I135 HydrophobicContact CZ-CD1 3.85Å; F89-I135 HydrophobicContact CZ-CG1 4.22Å; F89-I135 HydrophobicContact CZ-CG2 4.42Å; F89-Y145 AromaticContact CE1-CE2 3.73Å; F89-Y145 HydrophobicContact CE1-CE2 3.73Å; F89-Y145 AromaticContact CZ-CE2 3.83Å; F89-Y145 HydrophobicContact CZ-CE2 3.83Å
90	D	98.3	Very high	97.7	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.2	179.3	177.9	-12.7	0	0	0	109.6	T20 T92 A93 T96 K122	T20-D90 HydrophobicContact CG2-CB 4.35Å; D90-T92 PolarHBondContact O-N 3.34Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.29Å; D90-T92 VanDerWaalsContact OD1-CB 3.31Å; D90-T92 WeakPolarHBondContact OD1-CB 3.27Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.34Å; D90-T92 PolarHBondContact OD1-N 3Å; D90-T92 PolarHBondContact OD1-OG1 2.97Å; D90-T92 PolarHBondContact OD2-OG1 3.15Å; D90-A93 HydrophobicContact CB-CB 4.17Å; D90-A93 PolarHBondContact O-N 3.22Å; D90-T96 HydrophobicContact CB-CG2 4.31Å; D90-T96 PolarHBondContact N-OG1 2.77Å; D90-T96 PolarHBondContact O-OG1 2.86Å; D90-K122 WeakPolarHBondContact OD2-CD 3.45Å; D90-K122 VanDerWaalsContact OD2-CE 3.23Å; D90-K122 WeakPolarHBondContact OD2-CE 3.45Å; D90-K122 IonicContact OD2-NZ 2.69Å; D90-K122 PolarHBondContact OD2-NZ 3.39Å
91	V	98.3	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14	-178.4	-55.9	0	0	0	0	113.5	F89 N121 V123 R128 K129 V130	F89-V91 HydrophobicContact CE2-CG1 3.93Å; F89-V91 HydrophobicContact CZ-CG1 4.48Å; V91-N121 WeakPolarHBondContact CG2-O 3.3Å; V91-N121 PolarHBondContact N-O 3.41Å; V91-V123 HydrophobicContact CG1-CG1 4Å; V91-V123 HydrophobicContact CG2-CG1 4.1Å; V91-R128 HydrophobicContact CB-CG 4.08Å; V91-R128 HydrophobicContact CG2-CG 4.06Å; V91-K129 CarbonylContact O-C 3.6Å; V91-K129 WeakPolarHBondContact O-CA 3.03Å; V91-K129 PolarHBondContact O-N 3.01Å; V91-V130 PolarHBondContact O-N 3.22Å
92	T	97.8	Very high	97.7	Very high	43 Å²	43	33.4 Å²	33.4	26%	0.264	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.5	176.1	75.8	0	0	0	0	113.1	D90 K122 V125 K129	D90-T92 PolarHBondContact O-N 3.34Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.29Å; D90-T92 VanDerWaalsContact OD1-CB 3.31Å; D90-T92 WeakPolarHBondContact OD1-CB 3.27Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.34Å; D90-T92 PolarHBondContact OD1-N 3Å; D90-T92 PolarHBondContact OD1-OG1 2.97Å; D90-T92 PolarHBondContact OD2-OG1 3.15Å; T92-K122 HydrophobicContact CG2-CB 4.45Å; T92-V125 HydrophobicContact CG2-CB 3.62Å; T92-V125 HydrophobicContact CG2-CG1 3.72Å; T92-V125 HydrophobicContact CG2-CG2 4.04Å; T92-K129 WeakPolarHBondContact O-CG 3.45Å
93	A	97.5	Very high	97.6	Very high	29 Å²	29	33.3 Å²	33.3	24%	0.24	17%	0.166	C	C	.	.			trans	-127.3	96.5	-175.3	0	0	0	0	0	111.4	D90 V95 T96	D90-A93 HydrophobicContact CB-CB 4.17Å; D90-A93 PolarHBondContact O-N 3.22Å; A93-V95 PolarHBondContact O-N 2.81Å; A93-V95 VanDerWaalsContact O-N 3.09Å; A93-T96 HydrophobicContact CB-CG2 3.85Å; A93-T96 WeakPolarHBondContact O-CB 3.44Å; A93-T96 PolarHBondContact O-N 3.23Å; A93-T96 PolarHBondContact O-OG1 2.96Å
94	R	97.5	Very high	97.5	Very high	177 Å²	177	30.4 Å²	30.4	67%	0.668	15%	0.152	S	C	*	.	H	α-helix	trans	-52.3	-36.4	-176.7	-64.4	-175.3	-178.6	165.7	2.9	114	T96 Y97 K98 K129 V130	R94-T96 PolarHBondContact O-N 2.68Å; R94-Y97 PolarHBondContact O-N 3.4Å; R94-K98 PolarHBondContact O-N 2.65Å; R94-K129 HydrophobicContact CG-CB 3.91Å; R94-K129 PolarHBondContact NE-O 2.47Å; R94-V130 HydrophobicContact CG-CG2 4.24Å
95	V	97.1	Very high	97.3	Very high	87 Å²	87	36.7 Å²	36.7	53%	0.527	18%	0.176	S	C	.	.	H	α-helix	trans	-57.4	-37.6	179	68.2	0	0	0	0	112.1	A93 Y97 K98 N99	A93-V95 PolarHBondContact O-N 2.81Å; A93-V95 VanDerWaalsContact O-N 3.09Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3Å; V95-K98 WeakPolarHBondContact O-CB 3.37Å; V95-K98 PolarHBondContact O-N 2.97Å; V95-N99 PolarHBondContact O-N 2.91Å; V95-N99 PolarHBondContact O-ND2 3.02Å
96	T	98	Very high	97.1	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-68.5	-32.2	-178.3	68.9	0	0	0	0	112.2	D17 T20 D90 A93 R94	D17-T96 HydrophobicContact CB-CG2 3.83Å; D17-T96 WeakPolarHBondContact OD2-CA 3.44Å; T20-T96 HydrophobicContact CG2-CG2 3.94Å; D90-T96 HydrophobicContact CB-CG2 4.31Å; D90-T96 PolarHBondContact N-OG1 2.77Å; D90-T96 PolarHBondContact O-OG1 2.86Å; A93-T96 HydrophobicContact CB-CG2 3.85Å; A93-T96 WeakPolarHBondContact O-CB 3.44Å; A93-T96 PolarHBondContact O-N 3.23Å; A93-T96 PolarHBondContact O-OG1 2.96Å; R94-T96 PolarHBondContact O-N 2.68Å
97	Y	98.3	Very high	96.9	Very high	25 Å²	25	37.6 Å²	37.6	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-75.1	-40	172.4	-178	-106.5	0	0	0	111.5	F89 R94 V95 N99 V100 L118 V130 T134 I135 T136 F137	F89-Y97 AromaticContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD1-CD2 3.98Å; F89-Y97 HydrophobicContact CD2-CD2 4Å; F89-Y97 HydrophobicContact CD2-CG 4.33Å; F89-Y97 AromaticContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CD2 3.86Å; F89-Y97 HydrophobicContact CE1-CE2 4.33Å; F89-Y97 AromaticContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CD2 3.91Å; F89-Y97 HydrophobicContact CE2-CG 4.37Å; F89-Y97 HydrophobicContact CG-CD2 4.04Å; F89-Y97 AromaticContact CZ-CD2 3.84Å; F89-Y97 HydrophobicContact CZ-CD2 3.84Å; F89-Y97 HydrophobicContact CZ-CE2 4.4Å; R94-Y97 PolarHBondContact O-N 3.4Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3Å; Y97-N99 PolarHBondContact O-N 3.02Å; Y97-V100 HydrophobicContact CD2-CG2 4.18Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CG2 3.48Å; Y97-V100 PolarHBondContact O-N 3.31Å; Y97-L118 HydrophobicContact CE2-CD2 4.34Å; Y97-V130 HydrophobicContact CD1-CG1 4.06Å; Y97-V130 HydrophobicContact CD2-CG1 4.36Å; Y97-V130 HydrophobicContact CG-CG1 3.88Å; Y97-T134 VanDerWaalsContact CE1-O 3.26Å; Y97-T134 WeakPolarHBondContact CE1-O 3.42Å; Y97-T134 PolarHBondContact OH-O 3.13Å; Y97-I135 HydrophobicContact CE2-CB 4.34Å; Y97-I135 HydrophobicContact CE2-CG1 4.27Å; Y97-I135 HydrophobicContact CE2-CG2 3.88Å; Y97-I135 VanDerWaalsContact OH-CA 3.3Å; Y97-I135 WeakPolarHBondContact OH-CA 3.45Å; Y97-T136 PolarHBondContact OH-N 2.8Å; Y97-F137 WeakPolarHBondContact OH-CB 3.23Å; Y97-F137 PolarHBondContact OH-N 3.27Å; Y97-F137 VanDerWaalsContact OH-N 3.1Å
98	K	97.2	Very high	96.7	Very high	107 Å²	107	39.9 Å²	39.9	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-57.9	-31.1	174.1	-175.5	175.6	177.6	174	0	112.4	R94 V95 P101 L215	R94-K98 PolarHBondContact O-N 2.65Å; V95-K98 WeakPolarHBondContact O-CB 3.37Å; V95-K98 PolarHBondContact O-N 2.97Å; K98-P101 VanDerWaalsContact O-CD 3.25Å; K98-P101 WeakPolarHBondContact O-CD 3.44Å; K98-L215 HydrophobicContact CD-CD2 4.28Å; K98-L215 WeakPolarHBondContact CE-OXT 3.23Å; K98-L215 HydrophobicContact CG-CD2 4.33Å
99	N	96.6	Very high	96.5	Very high	31 Å²	31	46.7 Å²	46.7	17%	0.166	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.4	178.7	-71.4	-21.8	0	0	0	114.5	D17 V95 Y97 P101 N102 W103	D17-N99 WeakPolarHBondContact OD1-CB 3.39Å; D17-N99 PolarHBondContact OD1-ND2 2.94Å; D17-N99 PolarHBondContact OD2-ND2 3.3Å; V95-N99 PolarHBondContact O-N 2.91Å; V95-N99 PolarHBondContact O-ND2 3.02Å; Y97-N99 PolarHBondContact O-N 3.02Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; N99-N102 WeakPolarHBondContact O-CB 3.44Å; N99-N102 PolarHBondContact O-N 3.28Å; N99-W103 VanDerWaalsContact O-CD1 3.24Å; N99-W103 PolarHBondContact O-N 2.96Å
100	V	97.5	Very high	96.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-53.5	-44.4	178.6	167.5	0	0	0	0	113.1	I87 F89 Y97 N102 W103 H104 L118 F137	I87-V100 HydrophobicContact CG2-CG1 4.19Å; I87-V100 HydrophobicContact CG2-CG2 4.3Å; F89-V100 HydrophobicContact CB-CG2 4.01Å; F89-V100 HydrophobicContact CD1-CG2 4.14Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; Y97-V100 HydrophobicContact CD2-CG2 4.18Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CG2 3.48Å; Y97-V100 PolarHBondContact O-N 3.31Å; V100-N102 VanDerWaalsContact C-N 3.27Å; V100-N102 PolarHBondContact O-N 2.81Å; V100-W103 PolarHBondContact O-N 2.96Å; V100-H104 WeakPolarHBondContact O-CB 3.39Å; V100-H104 PolarHBondContact O-N 2.96Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.67Å; V100-L118 HydrophobicContact CG2-CD1 3.92Å; 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	96.1	Very high	36 Å²	36	48.8 Å²	48.8	23%	0.234	23%	0.234	C	C	.	.	H	α-helix	trans	-56	-37.9	175.4	-25.4	34.8	0	0	0	113.8	K98 N99 H104 R105 F137	K98-P101 VanDerWaalsContact O-CD 3.25Å; K98-P101 WeakPolarHBondContact O-CD 3.44Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; P101-H104 PolarHBondContact O-N 3.41Å; P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.38Å; P101-R105 PolarHBondContact O-N 2.94Å; P101-F137 HydrophobicContact CB-CD2 4.37Å; P101-F137 HydrophobicContact CB-CE2 3.73Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.83Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.43Å
102	N	94.4	Very high	95.8	Very high	58 Å²	58	56 Å²	56	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-66.1	-49.7	177.8	-67.6	-41.5	0	0	0	111.2	N99 V100 H104 R105 D106	N99-N102 WeakPolarHBondContact O-CB 3.44Å; N99-N102 PolarHBondContact O-N 3.28Å; V100-N102 VanDerWaalsContact C-N 3.27Å; V100-N102 PolarHBondContact O-N 2.81Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.27Å; N102-R105 PolarHBondContact O-N 3.32Å; N102-R105 PolarHBondContact OD1-NH1 2.8Å; N102-R105 PolarHBondContact OD1-NH2 2.95Å; N102-D106 VanDerWaalsContact O-CG 3.24Å; N102-D106 PolarHBondContact O-N 2.89Å
103	W	95.6	Very high	95.5	Very high	5 Å²	5	61.5 Å²	61.5	2%	0.019	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-41.9	176.4	-71.8	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 4.15Å; V15-W103 HydrophobicContact CG1-CE3 4.38Å; V15-W103 HydrophobicContact CG2-CB 4.27Å; V15-W103 HydrophobicContact CG2-CE3 4.35Å; G16-W103 VanDerWaalsContact C-CE2 3.43Å; G16-W103 VanDerWaalsContact C-CZ2 3.46Å; G16-W103 WeakPolarHBondContact O-CZ2 3.39Å; D17-W103 PolarHBondContact OD1-NE1 3.08Å; R75-W103 VanDerWaalsContact NE-CH2 3.28Å; I87-W103 HydrophobicContact CG2-CB 4.13Å; N99-W103 VanDerWaalsContact O-CD1 3.24Å; N99-W103 PolarHBondContact O-N 2.96Å; V100-W103 PolarHBondContact O-N 2.96Å; W103-L107 VanDerWaalsContact O-CB 3.26Å; W103-L107 WeakPolarHBondContact O-CB 3.17Å; W103-L107 PolarHBondContact O-N 3.41Å
104	H	96.1	Very high	95.5	Very high	19 Å²	19	61.5 Å²	61.5	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-49.1	176.3	175.8	-81.2	0	0	0	111.4	I87 V100 P101 N102 D106 L107 V108 F137	I87-H104 HydrophobicContact CD1-CB 3.76Å; V100-H104 WeakPolarHBondContact O-CB 3.39Å; V100-H104 PolarHBondContact O-N 2.96Å; P101-H104 PolarHBondContact O-N 3.41Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.27Å; H104-D106 VanDerWaalsContact C-N 3.33Å; H104-D106 PolarHBondContact O-N 3.28Å; H104-L107 PolarHBondContact O-N 3.27Å; H104-V108 WeakPolarHBondContact O-CG1 3.44Å; H104-V108 WeakPolarHBondContact O-CG2 3.35Å; H104-V108 PolarHBondContact O-N 3.18Å; H104-F137 HydrophobicContact CB-CE1 3.69Å; H104-F137 HydrophobicContact CB-CZ 3.61Å; H104-F137 AromaticContact CD2-CE1 3.89Å; H104-F137 AromaticContact CG-CE1 3.72Å; H104-F137 AromaticContact CG-CZ 3.61Å; H104-F137 AromaticContact ND1-CZ 3.93Å
105	R	94	Very high	95.6	Very high	132 Å²	132	54.4 Å²	54.4	50%	0.498	27%	0.268	S	S	.	.	H	α-helix	trans	-55.1	-48.6	178.5	178.6	-166.9	64.6	-137.8	-8.7	111.3	P101 N102 L107 R109	P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.38Å; P101-R105 PolarHBondContact O-N 2.94Å; N102-R105 PolarHBondContact O-N 3.32Å; N102-R105 PolarHBondContact OD1-NH1 2.8Å; N102-R105 PolarHBondContact OD1-NH2 2.95Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-R109 WeakPolarHBondContact O-CB 3.3Å; R105-R109 PolarHBondContact O-N 3.3Å; R105-R109 VanDerWaalsContact O-N 3.1Å
106	D	93.3	Very high	95.6	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-37.2	-177.1	-61.3	-8.2	0	0	0	111.1	Y79 N102 H104	Y79-D106 HydrophobicContact CE2-CB 4.16Å; N102-D106 VanDerWaalsContact O-CG 3.24Å; N102-D106 PolarHBondContact O-N 2.89Å; H104-D106 VanDerWaalsContact C-N 3.33Å; H104-D106 PolarHBondContact O-N 3.28Å
107	L	94.7	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-51.7	175.5	179.8	71.2	0	0	0	112.1	V13 Y79 A85 I87 W103 H104 R105 R109 V110 C111 I114 I116	V13-L107 HydrophobicContact CB-CD1 4.31Å; V13-L107 HydrophobicContact CG1-CD1 4.33Å; Y79-L107 HydrophobicContact CD1-CD1 4.13Å; Y79-L107 HydrophobicContact CG-CD1 4.15Å; A85-L107 HydrophobicContact CB-CD1 4.2Å; A85-L107 HydrophobicContact CB-CD2 3.4Å; A85-L107 VanDerWaalsContact CB-CD2 3.4Å; A85-L107 HydrophobicContact CB-CG 4.42Å; I87-L107 HydrophobicContact CD1-CD2 4.48Å; W103-L107 VanDerWaalsContact O-CB 3.26Å; W103-L107 WeakPolarHBondContact O-CB 3.17Å; W103-L107 PolarHBondContact O-N 3.41Å; H104-L107 PolarHBondContact O-N 3.27Å; R105-L107 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.4Å; L107-V110 PolarHBondContact O-N 3.5Å; L107-V110 VanDerWaalsContact O-N 3.09Å; L107-C111 PolarHBondContact O-N 3.16Å; L107-I114 HydrophobicContact CD1-CD1 4.39Å; L107-I114 HydrophobicContact CD2-CD1 4.37Å; L107-I114 HydrophobicContact CG-CD1 4.43Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 3.99Å
108	V	95	Very high	95.7	Very high	48 Å²	48	49 Å²	49	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-72.5	-18.3	-175.9	-57.8	0	0	0	0	113.2	H104 V110 I116	H104-V108 WeakPolarHBondContact O-CG1 3.44Å; H104-V108 WeakPolarHBondContact O-CG2 3.35Å; H104-V108 PolarHBondContact O-N 3.18Å; V108-V110 PolarHBondContact O-N 2.85Å; V108-I116 HydrophobicContact CG1-CD1 4.04Å
109	R	93.7	Very high	95.8	Very high	145 Å²	145	43.9 Å²	43.9	55%	0.547	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-30.8	168.9	-178.9	177.2	69	-159.2	-2.9	112.2	D76 R105 L107	D76-R109 IonicContact OD1-CZ 2.68Å; D76-R109 IonicContact OD1-NH2 2.66Å; D76-R109 PolarHBondContact OD1-NH2 2.73Å; D76-R109 IonicContact OD2-CZ 3.23Å; D76-R109 IonicContact OD2-NE 3.66Å; D76-R109 IonicContact OD2-NH2 2.84Å; D76-R109 PolarHBondContact OD2-NH2 2.95Å; R105-R109 WeakPolarHBondContact O-CB 3.3Å; R105-R109 PolarHBondContact O-N 3.3Å; R105-R109 VanDerWaalsContact O-N 3.1Å; L107-R109 PolarHBondContact O-N 3.4Å
110	V	95.1	Very high	95.9	Very high	45 Å²	45	42.4 Å²	42.4	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-103.9	-38.8	-178	-176.2	0	0	0	0	112	D76 Y79 I80 L107 V108	D76-V110 HydrophobicContact CB-CG2 4.06Å; Y79-V110 HydrophobicContact CD2-CB 4.36Å; Y79-V110 HydrophobicContact CD2-CG2 4.07Å; I80-V110 HydrophobicContact CG1-CG1 4.08Å; L107-V110 PolarHBondContact O-N 3.5Å; L107-V110 VanDerWaalsContact O-N 3.09Å; V108-V110 PolarHBondContact O-N 2.85Å
111	C	94.5	Very high	95.9	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.047	21%	0.208	C	C	.	.	S	Bend	trans	-115.9	91.3	-179.1	-61.8	0	0	0	0	110.3	Y79 L107 I114	Y79-C111 PolarHBondContact O-SG 2.92Å; L107-C111 PolarHBondContact O-N 3.16Å; C111-I114 HydrophobicContact CB-CD1 3.57Å; C111-I114 HydrophobicContact CB-CG1 3.87Å; C111-I114 HydrophobicContact CB-CG2 4.03Å
112	E	91.6	Very high	95.9	Very high	152 Å²	152	43.6 Å²	43.6	71%	0.71	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	136.6	175.8	-63	-176.4	-175.6	0	0	110.9	I114	E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 3.41Å
113	N	92.2	Very high	96	Very high	159 Å²	159	40.9 Å²	40.9	85%	0.85	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	27.6	168.9	-56	-49.1	0	0	0	117.2
114	I	97.6	Very high	96	Very high	28 Å²	28	41.9 Å²	41.9	14%	0.144	20%	0.2	C	C	.	.			trans	-82.2	148.7	172.8	60.1	163.4	0	0	0	112.1	G82 A85 L107 C111 E112 I116	G82-I114 WeakPolarHBondContact O-CG2 3.4Å; A85-I114 HydrophobicContact CB-CD1 4.08Å; L107-I114 HydrophobicContact CD1-CD1 4.39Å; L107-I114 HydrophobicContact CD2-CD1 4.37Å; L107-I114 HydrophobicContact CG-CD1 4.43Å; C111-I114 HydrophobicContact CB-CD1 3.57Å; C111-I114 HydrophobicContact CB-CG1 3.87Å; C111-I114 HydrophobicContact CB-CG2 4.03Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 3.41Å; I114-I116 HydrophobicContact CD1-CG1 4.28Å; I114-I116 HydrophobicContact CG1-CD1 4.2Å; I114-I116 HydrophobicContact CG1-CG1 3.97Å; I114-I116 WeakPolarHBondContact O-CG1 3.42Å; I114-I116 PolarHBondContact O-N 3.03Å
115	P	98.3	Very high	95.9	Very high	29 Å²	29	43.6 Å²	43.6	19%	0.188	21%	0.212	C	C	.	.			trans	-64.6	128.2	169.8	26.1	-34.7	0	0	0	111	Q83 C84 A85 W162 L163 K166 L167	Q83-P115 WeakPolarHBondContact O-CD 3.4Å; C84-P115 VanDerWaalsContact CA-O 3.28Å; C84-P115 WeakPolarHBondContact CA-O 3.49Å; C84-P115 HydrophobicContact CB-CG 3.97Å; C84-P115 WeakPolarHBondContact CB-O 3.38Å; A85-P115 PolarHBondContact N-O 3.37Å; P115-W162 HydrophobicContact CB-CH2 4.3Å; P115-W162 HydrophobicContact CB-CZ3 3.82Å; P115-L163 HydrophobicContact CB-CD2 3.86Å; P115-L163 HydrophobicContact CG-CD2 4.22Å; P115-L163 WeakPolarHBondContact O-CD2 3.19Å; P115-K166 HydrophobicContact CB-CB 3.89Å; P115-K166 HydrophobicContact CB-CG 4.33Å; P115-K166 HydrophobicContact CG-CB 4.28Å; P115-L167 HydrophobicContact CG-CD2 3.91Å; P115-L167 HydrophobicContact CG-CG 4.11Å
116	I	98.6	Very high	95.7	Very high	8 Å²	8	46 Å²	46	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.4	-177.2	-59.6	163.2	0	0	0	109.6	A85 I87 L107 V108 I114 L143 Q144	A85-I116 HydrophobicContact CB-CG1 4.13Å; A85-I116 HydrophobicContact CB-CG2 4.48Å; A85-I116 WeakPolarHBondContact O-CA 3.08Å; I87-I116 HydrophobicContact CD1-CG2 3.94Å; I87-I116 HydrophobicContact CG1-CG2 3.9Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 3.99Å; V108-I116 HydrophobicContact CG1-CD1 4.04Å; I114-I116 HydrophobicContact CD1-CG1 4.28Å; I114-I116 HydrophobicContact CG1-CD1 4.2Å; I114-I116 HydrophobicContact CG1-CG1 3.97Å; I114-I116 WeakPolarHBondContact O-CG1 3.42Å; I114-I116 PolarHBondContact O-N 3.03Å; I116-L143 HydrophobicContact CB-CD2 3.99Å; I116-L143 HydrophobicContact CD1-CD2 4.49Å; I116-L143 HydrophobicContact CG2-CD1 4.25Å; I116-L143 HydrophobicContact CG2-CD2 4.29Å; I116-Q144 PolarHBondContact O-N 3.45Å
117	V	98.7	Very high	95.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.4	172	-176.6	0	0	0	0	109.7	A85 I86 I87 Q144 Y146 P159 W162 L163	A85-V117 PolarHBondContact O-N 3.04Å; I86-V117 CarbonylContact C-O 3.57Å; I86-V117 VanDerWaalsContact CA-O 3.3Å; I86-V117 WeakPolarHBondContact CA-O 3.43Å; I86-V117 HydrophobicContact CG1-CB 4.37Å; I87-V117 PolarHBondContact N-O 3.26Å; V117-Q144 CarbonylContact C-O 3.54Å; V117-Q144 WeakPolarHBondContact CA-O 3.43Å; V117-Q144 HydrophobicContact CG2-CB 4.32Å; V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.27Å; V117-P159 HydrophobicContact CB-CB 4.47Å; V117-P159 HydrophobicContact CG1-CB 4.01Å; V117-P159 HydrophobicContact CG1-CG 4.41Å; V117-W162 HydrophobicContact CG2-CD2 4.28Å; V117-W162 HydrophobicContact CG2-CE3 3.47Å; V117-W162 VanDerWaalsContact CG2-CE3 3.47Å; V117-W162 HydrophobicContact CG2-CZ3 3.9Å; V117-L163 HydrophobicContact CG2-CD1 4.25Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.73Å
118	L	98.7	Very high	95.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.2	168.1	-179.1	65.8	0	0	0	109.4	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 WeakPolarHBondContact O-CA 3.5Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.97Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; 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 3.67Å; V100-L118 HydrophobicContact CG2-CD1 3.92Å; L118-I135 HydrophobicContact CD2-CG2 4.26Å; L118-H138 HydrophobicContact CD2-CB 4.06Å; L118-Q144 PolarHBondContact N-O 3Å; L118-Y145 HydrophobicContact CB-CD2 4.15Å; L118-Y145 HydrophobicContact CD2-CD2 3.95Å; L118-Y145 HydrophobicContact CD2-CE2 4.47Å; L118-Y145 HydrophobicContact CG-CD2 3.91Å; L118-Y145 HydrophobicContact CG-CE2 4.36Å; L118-Y145 WeakPolarHBondContact O-CA 3.35Å; L118-Y145 VanDerWaalsContact O-CD2 3.27Å; L118-Y145 WeakPolarHBondContact O-CD2 3.47Å; L118-Y146 PolarHBondContact O-N 2.86Å
119	C	98.7	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	-179.7	-70.9	0	0	0	0	111.4	I86 I87 M88 F89 Y146 I148 P159	I86-C119 HydrophobicContact CG2-CB 4.18Å; I87-C119 PolarHBondContact O-N 2.86Å; M88-C119 WeakPolarHBondContact CA-O 3.05Å; F89-C119 WeakPolarHBondContact CD1-O 3.48Å; F89-C119 PolarHBondContact N-O 2.89Å; C119-Y146 WeakPolarHBondContact CA-O 3.43Å; C119-I148 HydrophobicContact CB-CD1 3.78Å; C119-I148 HydrophobicContact CB-CG1 4.16Å; C119-P159 VanDerWaalsContact SG-CG 3.5Å
120	G	98.6	Very high	96	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	100.3	167.6	0	0	0	0	0	110.1	F89 Y146 I148	F89-G120 VanDerWaalsContact CZ-CA 3.41Å; G120-Y146 PolarHBondContact N-O 2.97Å; G120-I148 PolarHBondContact O-N 3.31Å
121	N	98.4	Very high	96	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	164.7	-177.5	-169.5	29.3	0	0	0	112.4	T20 M88 F89 V91 I148 A150	T20-N121 PolarHBondContact O-ND2 2.84Å; M88-N121 HydrophobicContact CG-CB 3.99Å; M88-N121 HydrophobicContact SD-CB 3.9Å; F89-N121 PolarHBondContact O-N 3.48Å; V91-N121 WeakPolarHBondContact CG2-O 3.3Å; V91-N121 PolarHBondContact N-O 3.41Å; N121-I148 CarbonylContact C-O 3.57Å; N121-I148 VanDerWaalsContact CA-O 3.29Å; N121-I148 WeakPolarHBondContact CA-O 3.33Å; N121-I148 HydrophobicContact CB-CD1 4.2Å; N121-I148 HydrophobicContact CB-CG1 3.92Å; N121-I148 PolarHBondContact OD1-O 3.5Å; N121-A150 PolarHBondContact OD1-N 3.48Å; N121-A150 VanDerWaalsContact OD1-N 3.12Å
122	K	96.9	Very high	95.9	Very high	58 Å²	58	48.4 Å²	48.4	25%	0.252	24%	0.236	S	C	.	.			trans	70.3	32.4	176.7	-46.8	-169.8	-165.6	166.3	0	114.8	G19 D90 T92 D124 V125 I148	G19-K122 WeakPolarHBondContact O-CE 3.11Å; G19-K122 PolarHBondContact O-NZ 3.35Å; D90-K122 WeakPolarHBondContact OD2-CD 3.45Å; D90-K122 VanDerWaalsContact OD2-CE 3.23Å; D90-K122 WeakPolarHBondContact OD2-CE 3.45Å; D90-K122 IonicContact OD2-NZ 2.69Å; D90-K122 PolarHBondContact OD2-NZ 3.39Å; T92-K122 HydrophobicContact CG2-CB 4.45Å; K122-D124 WeakPolarHBondContact CA-OD1 2.95Å; K122-D124 PolarHBondContact O-N 3.01Å; K122-D124 VanDerWaalsContact O-N 3.13Å; K122-V125 HydrophobicContact CB-CG2 4.28Å; K122-V125 PolarHBondContact O-N 2.76Å; K122-I148 PolarHBondContact N-O 3.05Å
123	V	96.9	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.4	175.2	-59.2	0	0	0	0	113.8	V91 V125 D147 I148 Y154 M188 M192 Y196	V91-V123 HydrophobicContact CG1-CG1 4Å; V91-V123 HydrophobicContact CG2-CG1 4.1Å; V123-V125 PolarHBondContact O-N 3.25Å; V123-D147 HydrophobicContact CG1-CB 3.85Å; V123-I148 WeakPolarHBondContact CG2-O 3.22Å; V123-I148 PolarHBondContact N-O 3.18Å; V123-Y154 HydrophobicContact CG2-CD1 3.59Å; V123-Y154 HydrophobicContact CG2-CE1 4.05Å; V123-M188 HydrophobicContact CB-CE 4.28Å; V123-M188 HydrophobicContact CG2-CE 3.56Å; V123-M188 HydrophobicContact CG2-SD 4.29Å; V123-M192 WeakPolarHBondContact O-CE 2.93Å; V123-Y196 HydrophobicContact CB-CD2 4.29Å; V123-Y196 HydrophobicContact CB-CE2 4.04Å; V123-Y196 WeakPolarHBondContact O-CE2 3.42Å
124	D	94.4	Very high	96	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.139	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16	169.3	58.2	-73.1	0	0	0	113.6	K122 S149 K151 M188	K122-D124 WeakPolarHBondContact CA-OD1 2.95Å; K122-D124 PolarHBondContact O-N 3.01Å; K122-D124 VanDerWaalsContact O-N 3.13Å; D124-S149 WeakPolarHBondContact CB-OG 3.34Å; D124-S149 VanDerWaalsContact CG-OG 3.24Å; D124-S149 WeakPolarHBondContact OD1-CB 3.26Å; D124-S149 PolarHBondContact OD1-OG 3.36Å; D124-K151 WeakPolarHBondContact OD2-CD 3.04Å; D124-M188 WeakPolarHBondContact CA-SD 3.5Å; D124-M188 HydrophobicContact CB-SD 3.64Å
125	V	93.9	Very high	95.9	Very high	56 Å²	56	43.1 Å²	43.1	34%	0.339	21%	0.208	S	C	.	.	S	Bend	trans	-86.2	120.5	178.1	-176.5	0	0	0	0	110.1	T92 K122 V123 D127	T92-V125 HydrophobicContact CG2-CB 3.62Å; T92-V125 HydrophobicContact CG2-CG1 3.72Å; T92-V125 HydrophobicContact CG2-CG2 4.04Å; K122-V125 HydrophobicContact CB-CG2 4.28Å; K122-V125 PolarHBondContact O-N 2.76Å; V123-V125 PolarHBondContact O-N 3.25Å; V125-D127 VanDerWaalsContact C-N 3.28Å; V125-D127 PolarHBondContact O-N 3.12Å
126	K	90.7	Very high	95.7	Very high	182 Å²	182	43 Å²	43	79%	0.791	21%	0.206	S	C	*	.	S	Bend	trans	-58	-35.8	-178.9	-66.7	-171.5	177.1	-172.7	0	113.7	R128	K126-R128 PolarHBondContact O-N 2.82Å
127	D	93.1	Very high	95.6	Very high	95 Å²	95	43.6 Å²	43.6	51%	0.508	21%	0.209	S	C	.	.	S	Bend	trans	-81.9	59.5	-179.2	-169.7	22.4	0	0	0	112.3	V125 K129	V125-D127 VanDerWaalsContact C-N 3.28Å; V125-D127 PolarHBondContact O-N 3.12Å; D127-K129 VanDerWaalsContact CG-CE 3.45Å; D127-K129 PolarHBondContact O-N 3.16Å; D127-K129 WeakPolarHBondContact OD1-CE 3.21Å; D127-K129 IonicContact OD1-NZ 3.68Å; D127-K129 PolarHBondContact OD1-NZ 3.38Å; D127-K129 WeakPolarHBondContact OD2-CE 2.98Å; D127-K129 IonicContact OD2-NZ 2.81Å; D127-K129 PolarHBondContact OD2-NZ 2.5Å
128	R	96	Very high	95.4	Very high	21 Å²	21	45.1 Å²	45.1	8%	0.079	22%	0.216	C	C	.	.			trans	-66.3	117.2	177.7	-178	175.3	-175.2	149.5	7.8	110.8	V91 K126 V130 D147	V91-R128 HydrophobicContact CB-CG 4.08Å; V91-R128 HydrophobicContact CG2-CG 4.06Å; K126-R128 PolarHBondContact O-N 2.82Å; R128-V130 WeakPolarHBondContact CG-O 3.21Å; R128-V130 PolarHBondContact NE-O 3.01Å; R128-D147 IonicContact CZ-OD1 3.47Å; R128-D147 IonicContact CZ-OD2 3.09Å; R128-D147 IonicContact NH1-OD1 3.54Å; R128-D147 IonicContact NH1-OD2 3.33Å; R128-D147 PolarHBondContact NH1-OD2 2.83Å; R128-D147 IonicContact NH2-OD1 3.84Å; R128-D147 PolarHBondContact NH2-OD1 2.85Å; R128-D147 IonicContact NH2-OD2 3.59Å; R128-D147 PolarHBondContact NH2-OD2 2.72Å
129	K	96.9	Very high	95.1	Very high	80 Å²	80	48.9 Å²	48.9	35%	0.348	23%	0.23	S	C	.	.			trans	-93.6	-29.3	-179.1	-59.1	-56.6	-171.8	-167.1	0	114.1	V91 T92 R94 D127	V91-K129 CarbonylContact O-C 3.6Å; V91-K129 WeakPolarHBondContact O-CA 3.03Å; V91-K129 PolarHBondContact O-N 3.01Å; T92-K129 WeakPolarHBondContact O-CG 3.45Å; R94-K129 HydrophobicContact CG-CB 3.91Å; R94-K129 PolarHBondContact NE-O 2.47Å; D127-K129 VanDerWaalsContact CG-CE 3.45Å; D127-K129 PolarHBondContact O-N 3.16Å; D127-K129 WeakPolarHBondContact OD1-CE 3.21Å; D127-K129 IonicContact OD1-NZ 3.68Å; D127-K129 PolarHBondContact OD1-NZ 3.38Å; D127-K129 WeakPolarHBondContact OD2-CE 2.98Å; D127-K129 IonicContact OD2-NZ 2.81Å; D127-K129 PolarHBondContact OD2-NZ 2.5Å
130	V	96.6	Very high	94.8	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	25%	0.249	C	C	.	.	S	Bend	trans	-104.1	102.6	177.5	-172.2	0	0	0	0	108.3	F89 V91 R94 Y97 R128 I135	F89-V130 HydrophobicContact CE2-CB 4.22Å; F89-V130 HydrophobicContact CE2-CG1 3.92Å; V91-V130 PolarHBondContact O-N 3.22Å; R94-V130 HydrophobicContact CG-CG2 4.24Å; Y97-V130 HydrophobicContact CD1-CG1 4.06Å; Y97-V130 HydrophobicContact CD2-CG1 4.36Å; Y97-V130 HydrophobicContact CG-CG1 3.88Å; R128-V130 WeakPolarHBondContact CG-O 3.21Å; R128-V130 PolarHBondContact NE-O 3.01Å; V130-I135 HydrophobicContact CG1-CD1 3.98Å; V130-I135 HydrophobicContact CG1-CG1 3.62Å
131	K	94.2	Very high	94.6	Very high	110 Å²	110	58.4 Å²	58.4	48%	0.478	27%	0.271	S	S	.	.			trans	-86.1	157.4	-174.9	-62.8	-171.4	175.1	-168.6	0	110.8	K133 T134 I135	K131-K133 HydrophobicContact CB-CG 4.19Å; K131-K133 PolarHBondContact O-N 2.88Å; K131-K133 VanDerWaalsContact O-N 3.13Å; K131-T134 PolarHBondContact N-OG1 2.99Å; K131-T134 PolarHBondContact O-N 3.14Å; K131-T134 PolarHBondContact O-OG1 3.1Å; K131-I135 WeakPolarHBondContact O-CG1 3.17Å
132	A	93	Very high	94.4	Very high	6 Å²	6	65.4 Å²	65.4	5%	0.05	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-49.6	-44.2	179.7	0	0	0	0	0	112.9	T134 I135 E199 I200 A203	A132-T134 PolarHBondContact O-N 2.91Å; A132-T134 VanDerWaalsContact O-N 3.14Å; A132-I135 PolarHBondContact O-N 3.23Å; A132-E199 HydrophobicContact CB-CB 3.83Å; A132-I200 HydrophobicContact CB-CG1 4.04Å; A132-A203 HydrophobicContact CB-CB 4.17Å
133	K	92.4	Very high	94.4	Very high	157 Å²	157	63.5 Å²	63.5	68%	0.683	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.2	-24.2	178	69.7	175.7	-174.1	170.6	0	115.6	K131	K131-K133 HydrophobicContact CB-CG 4.19Å; K131-K133 PolarHBondContact O-N 2.88Å; K131-K133 VanDerWaalsContact O-N 3.13Å
134	T	93.1	Very high	94.4	Very high	66 Å²	66	66.3 Å²	66.3	41%	0.405	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-90	-9.9	178.5	59.3	0	0	0	0	112.3	Y97 K131 A132 T136	Y97-T134 VanDerWaalsContact CE1-O 3.26Å; Y97-T134 WeakPolarHBondContact CE1-O 3.42Å; Y97-T134 PolarHBondContact OH-O 3.13Å; K131-T134 PolarHBondContact N-OG1 2.99Å; K131-T134 PolarHBondContact O-N 3.14Å; K131-T134 PolarHBondContact O-OG1 3.1Å; A132-T134 PolarHBondContact O-N 2.91Å; A132-T134 VanDerWaalsContact O-N 3.14Å; T134-T136 PolarHBondContact O-N 3.28Å
135	I	95.5	Very high	94.6	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	31%	0.311	C	S	.	.			trans	-92.9	77.5	-174	-57.1	165.8	0	0	0	108.9	F89 Y97 L118 V130 K131 A132 H138 Y145	F89-I135 HydrophobicContact CE2-CD1 4.38Å; F89-I135 HydrophobicContact CZ-CD1 3.85Å; F89-I135 HydrophobicContact CZ-CG1 4.22Å; F89-I135 HydrophobicContact CZ-CG2 4.42Å; Y97-I135 HydrophobicContact CE2-CB 4.34Å; Y97-I135 HydrophobicContact CE2-CG1 4.27Å; Y97-I135 HydrophobicContact CE2-CG2 3.88Å; Y97-I135 VanDerWaalsContact OH-CA 3.3Å; Y97-I135 WeakPolarHBondContact OH-CA 3.45Å; L118-I135 HydrophobicContact CD2-CG2 4.26Å; V130-I135 HydrophobicContact CG1-CD1 3.98Å; V130-I135 HydrophobicContact CG1-CG1 3.62Å; K131-I135 WeakPolarHBondContact O-CG1 3.17Å; A132-I135 PolarHBondContact O-N 3.23Å; I135-H138 PolarHBondContact O-CE1 3.1Å; I135-H138 PolarHBondContact O-ND1 2.94Å; I135-H138 VanDerWaalsContact O-ND1 3.1Å; I135-Y145 HydrophobicContact CD1-CE1 4.31Å; I135-Y145 HydrophobicContact CD1-CE2 4.34Å; I135-Y145 VanDerWaalsContact CD1-OH 3.28Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.41Å; I135-Y145 HydrophobicContact CG2-CD2 3.93Å; I135-Y145 HydrophobicContact CG2-CE1 4.4Å; I135-Y145 HydrophobicContact CG2-CE2 3.76Å; I135-Y145 HydrophobicContact CG2-CG 4.32Å
136	T	95.3	Very high	94.8	Very high	26 Å²	26	65.2 Å²	65.2	16%	0.16	30%	0.303	C	S	.	.			trans	-104.9	-14.9	-175.9	55.8	0	0	0	0	113.8	Y97 T134 H138 R139 K140 L208	Y97-T136 PolarHBondContact OH-N 2.8Å; T134-T136 PolarHBondContact O-N 3.28Å; T136-H138 VanDerWaalsContact C-N 3.3Å; T136-H138 PolarHBondContact O-N 3.41Å; T136-R139 WeakPolarHBondContact O-CB 3.44Å; T136-R139 PolarHBondContact O-N 3.34Å; T136-K140 PolarHBondContact O-N 2.81Å; T136-L208 HydrophobicContact CG2-CD2 4.06Å
137	F	96.3	Very high	95.1	Very high	21 Å²	21	56.6 Å²	56.6	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-39.6	-172.2	-175.7	-99.2	0	0	0	113.3	Y97 V100 P101 H104 R139 K140 K141 L143	Y97-F137 WeakPolarHBondContact OH-CB 3.23Å; Y97-F137 PolarHBondContact OH-N 3.27Å; Y97-F137 VanDerWaalsContact OH-N 3.1Å; 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 4.37Å; P101-F137 HydrophobicContact CB-CE2 3.73Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.83Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.43Å; H104-F137 HydrophobicContact CB-CE1 3.69Å; H104-F137 HydrophobicContact CB-CZ 3.61Å; H104-F137 AromaticContact CD2-CE1 3.89Å; H104-F137 AromaticContact CG-CE1 3.72Å; H104-F137 AromaticContact CG-CZ 3.61Å; H104-F137 AromaticContact ND1-CZ 3.93Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 3.42Å; F137-K140 PolarHBondContact O-N 2.85Å; F137-K141 HydrophobicContact CD1-CG 4.41Å; F137-K141 HydrophobicContact CD2-CG 4.48Å; F137-K141 HydrophobicContact CE1-CB 4.35Å; F137-K141 HydrophobicContact CE1-CG 3.83Å; F137-K141 HydrophobicContact CE2-CG 3.9Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 2.87Å; F137-K141 VanDerWaalsContact O-N 3.1Å; F137-L143 HydrophobicContact CD1-CD1 4.13Å; F137-L143 HydrophobicContact CE1-CD1 3.96Å
138	H	94.6	Very high	95.3	Very high	32 Å²	32	52 Å²	52	15%	0.148	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-35.5	179	70.8	-83.5	0	0	0	112.5	L118 I135 T136 K141 N142 L143	L118-H138 HydrophobicContact CD2-CB 4.06Å; I135-H138 PolarHBondContact O-CE1 3.1Å; I135-H138 PolarHBondContact O-ND1 2.94Å; I135-H138 VanDerWaalsContact O-ND1 3.1Å; T136-H138 VanDerWaalsContact C-N 3.3Å; T136-H138 PolarHBondContact O-N 3.41Å; H138-K141 PolarHBondContact O-N 3.09Å; H138-N142 CarbonylContact O-C 3.57Å; H138-N142 WeakPolarHBondContact O-CA 3.26Å; H138-N142 PolarHBondContact O-N 3.07Å; H138-L143 HydrophobicContact CB-CB 3.99Å; H138-L143 PolarHBondContact O-N 3.18Å
139	R	92.8	Very high	95.4	Very high	80 Å²	80	51 Å²	51	30%	0.302	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-43.5	176.8	-62.4	176.5	61.5	-165.9	-2.4	111	T136 F137 K141 N142 A203 A206 L208	T136-R139 WeakPolarHBondContact O-CB 3.44Å; T136-R139 PolarHBondContact O-N 3.34Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 3.42Å; R139-K141 VanDerWaalsContact C-N 3.28Å; R139-K141 PolarHBondContact O-N 3.35Å; R139-N142 PolarHBondContact O-N 3.13Å; R139-A203 PolarHBondContact NH1-O 3.49Å; R139-A206 PolarHBondContact NH1-O 3.44Å; R139-A206 PolarHBondContact NH2-O 3.24Å; R139-L208 HydrophobicContact CB-CD1 4.24Å; R139-L208 HydrophobicContact CB-CD2 3.96Å; R139-L208 HydrophobicContact CG-CD2 4.46Å
140	K	91.6	Very high	95.2	Very high	89 Å²	89	47.4 Å²	47.4	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-30.6	178.5	-63.6	-178.1	177.5	-175.7	0	113.4	T136 F137 D211	T136-K140 PolarHBondContact O-N 2.81Å; F137-K140 PolarHBondContact O-N 2.85Å; K140-D211 VanDerWaalsContact CE-OD1 3.23Å; K140-D211 WeakPolarHBondContact CE-OD1 3.17Å; K140-D211 IonicContact NZ-OD1 2.83Å; K140-D211 PolarHBondContact NZ-OD1 3.01Å; K140-D211 IonicContact NZ-OD2 2.79Å
141	K	94.5	Very high	95	Very high	110 Å²	110	50.4 Å²	50.4	48%	0.478	24%	0.235	S	C	.	.	H	α-helix	trans	-109.5	7.7	-177	-61.5	-56.5	-176.9	-172.8	0	114.2	F137 H138 R139 L143	F137-K141 HydrophobicContact CD1-CG 4.41Å; F137-K141 HydrophobicContact CD2-CG 4.48Å; F137-K141 HydrophobicContact CE1-CB 4.35Å; F137-K141 HydrophobicContact CE1-CG 3.83Å; F137-K141 HydrophobicContact CE2-CG 3.9Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 2.87Å; F137-K141 VanDerWaalsContact O-N 3.1Å; H138-K141 PolarHBondContact O-N 3.09Å; R139-K141 VanDerWaalsContact C-N 3.28Å; R139-K141 PolarHBondContact O-N 3.35Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 HydrophobicContact CB-CD1 4.14Å; K141-L143 HydrophobicContact CB-CD2 3.99Å; K141-L143 HydrophobicContact CB-CG 3.78Å; K141-L143 VanDerWaalsContact O-CD2 3.29Å; K141-L143 WeakPolarHBondContact O-CD2 3.3Å; K141-L143 PolarHBondContact O-N 3.47Å
142	N	93.3	Very high	94.8	Very high	151 Å²	151	45.8 Å²	45.8	81%	0.807	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	43.9	-177.7	-167.2	31.7	0	0	0	113.7	H138 R139	H138-N142 CarbonylContact O-C 3.57Å; H138-N142 WeakPolarHBondContact O-CA 3.26Å; H138-N142 PolarHBondContact O-N 3.07Å; R139-N142 PolarHBondContact O-N 3.13Å
143	L	97.2	Very high	94.8	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.099	22%	0.222	C	C	.	.			trans	-97.7	151.9	177.3	-42.6	-176.4	0	0	0	109.9	I116 F137 H138 K141	I116-L143 HydrophobicContact CB-CD2 3.99Å; I116-L143 HydrophobicContact CD1-CD2 4.49Å; I116-L143 HydrophobicContact CG2-CD1 4.25Å; I116-L143 HydrophobicContact CG2-CD2 4.29Å; F137-L143 HydrophobicContact CD1-CD1 4.13Å; F137-L143 HydrophobicContact CE1-CD1 3.96Å; H138-L143 HydrophobicContact CB-CB 3.99Å; H138-L143 PolarHBondContact O-N 3.18Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 HydrophobicContact CB-CD1 4.14Å; K141-L143 HydrophobicContact CB-CD2 3.99Å; K141-L143 HydrophobicContact CB-CG 3.78Å; K141-L143 VanDerWaalsContact O-CD2 3.29Å; K141-L143 WeakPolarHBondContact O-CD2 3.3Å; K141-L143 PolarHBondContact O-N 3.47Å
144	Q	97.4	Very high	94.8	Very high	58 Å²	58	40.7 Å²	40.7	27%	0.271	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.7	166.8	-176.9	60.9	44.4	0	0	110.2	I116 V117 L118 Y146 W162	I116-Q144 PolarHBondContact O-N 3.45Å; V117-Q144 CarbonylContact C-O 3.54Å; V117-Q144 WeakPolarHBondContact CA-O 3.43Å; V117-Q144 HydrophobicContact CG2-CB 4.32Å; L118-Q144 PolarHBondContact N-O 3Å; 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 3.45Å; Q144-W162 HydrophobicContact CB-CE3 4.06Å; Q144-W162 HydrophobicContact CB-CG 4.17Å; Q144-W162 HydrophobicContact CB-CH2 4.02Å; Q144-W162 HydrophobicContact CB-CZ2 3.64Å; Q144-W162 HydrophobicContact CB-CZ3 4.2Å; Q144-W162 HydrophobicContact CG-CD2 3.93Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.15Å
145	Y	98.1	Very high	94.9	Very high	15 Å²	15	38.5 Å²	38.5	6%	0.059	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.8	173.5	179	-108.3	0	0	0	111.9	F89 L118 I135 D147 I200	F89-Y145 AromaticContact CE1-CE2 3.73Å; F89-Y145 HydrophobicContact CE1-CE2 3.73Å; F89-Y145 AromaticContact CZ-CE2 3.83Å; F89-Y145 HydrophobicContact CZ-CE2 3.83Å; L118-Y145 HydrophobicContact CB-CD2 4.15Å; L118-Y145 HydrophobicContact CD2-CD2 3.95Å; L118-Y145 HydrophobicContact CD2-CE2 4.47Å; L118-Y145 HydrophobicContact CG-CD2 3.91Å; L118-Y145 HydrophobicContact CG-CE2 4.36Å; L118-Y145 WeakPolarHBondContact O-CA 3.35Å; L118-Y145 VanDerWaalsContact O-CD2 3.27Å; L118-Y145 WeakPolarHBondContact O-CD2 3.47Å; I135-Y145 HydrophobicContact CD1-CE1 4.31Å; I135-Y145 HydrophobicContact CD1-CE2 4.34Å; I135-Y145 VanDerWaalsContact CD1-OH 3.28Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.41Å; I135-Y145 HydrophobicContact CG2-CD2 3.93Å; I135-Y145 HydrophobicContact CG2-CE1 4.4Å; I135-Y145 HydrophobicContact CG2-CE2 3.76Å; I135-Y145 HydrophobicContact CG2-CG 4.32Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.3Å; Y145-D147 PolarHBondContact OH-OD1 2.94Å; Y145-I200 HydrophobicContact CE1-CD1 4.07Å; Y145-I200 HydrophobicContact CE1-CG1 4.3Å
146	Y	98.1	Very high	94.6	Very high	44 Å²	44	38.3 Å²	38.3	17%	0.173	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.3	165.6	-65.9	-65.6	0	0	0	111.6	V117 L118 C119 G120 Q144 K158 P159 W162	V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.27Å; L118-Y146 PolarHBondContact O-N 2.86Å; C119-Y146 WeakPolarHBondContact CA-O 3.43Å; G120-Y146 PolarHBondContact N-O 2.97Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Y146-K158 HydrophobicContact CD1-CB 3.95Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.06Å; Y146-K158 HydrophobicContact CE1-CB 3.88Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.42Å; Y146-K158 HydrophobicContact CE2-CB 3.97Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; Y146-P159 HydrophobicContact CD2-CG 4.12Å; Y146-W162 HydrophobicContact CE2-CB 4.07Å
147	D	97.7	Very high	94.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.7	155.5	-90.9	4.1	0	0	0	108.7	V123 R128 Y145 Y154 N155 I200	V123-D147 HydrophobicContact CG1-CB 3.85Å; R128-D147 IonicContact CZ-OD1 3.47Å; R128-D147 IonicContact CZ-OD2 3.09Å; R128-D147 IonicContact NH1-OD1 3.54Å; R128-D147 IonicContact NH1-OD2 3.33Å; R128-D147 PolarHBondContact NH1-OD2 2.83Å; R128-D147 IonicContact NH2-OD1 3.84Å; R128-D147 PolarHBondContact NH2-OD1 2.85Å; R128-D147 IonicContact NH2-OD2 3.59Å; R128-D147 PolarHBondContact NH2-OD2 2.72Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.3Å; Y145-D147 PolarHBondContact OH-OD1 2.94Å; D147-Y154 HydrophobicContact CB-CE1 4.09Å; D147-N155 WeakPolarHBondContact O-CB 3.44Å; D147-N155 PolarHBondContact O-ND2 3.38Å; D147-I200 HydrophobicContact CB-CD1 3.99Å; D147-I200 WeakPolarHBondContact OD2-CD1 3.4Å
148	I	97.6	Very high	94.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.			trans	-135.6	158.6	176.9	68.6	168.7	0	0	0	111.3	F25 M88 C119 G120 N121 K122 V123 Y154 N155 P159	F25-I148 HydrophobicContact CD2-CD1 3.69Å; F25-I148 HydrophobicContact CE2-CD1 3.66Å; F25-I148 HydrophobicContact CZ-CD1 4.44Å; M88-I148 HydrophobicContact CE-CD1 3.88Å; C119-I148 HydrophobicContact CB-CD1 3.78Å; C119-I148 HydrophobicContact CB-CG1 4.16Å; G120-I148 PolarHBondContact O-N 3.31Å; N121-I148 CarbonylContact C-O 3.57Å; N121-I148 VanDerWaalsContact CA-O 3.29Å; N121-I148 WeakPolarHBondContact CA-O 3.33Å; N121-I148 HydrophobicContact CB-CD1 4.2Å; N121-I148 HydrophobicContact CB-CG1 3.92Å; N121-I148 PolarHBondContact OD1-O 3.5Å; K122-I148 PolarHBondContact N-O 3.05Å; V123-I148 WeakPolarHBondContact CG2-O 3.22Å; V123-I148 PolarHBondContact N-O 3.18Å; I148-Y154 WeakPolarHBondContact CA-O 3.28Å; I148-N155 HydrophobicContact CG2-CB 4.12Å; I148-P159 HydrophobicContact CG2-CG 4.22Å
149	S	96.5	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-138.1	111	164.6	164.3	0	0	0	0	110.1	D124 K151 S152 N153 Y154	D124-S149 WeakPolarHBondContact CB-OG 3.34Å; D124-S149 VanDerWaalsContact CG-OG 3.24Å; D124-S149 WeakPolarHBondContact OD1-CB 3.26Å; D124-S149 PolarHBondContact OD1-OG 3.36Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 PolarHBondContact OG-N 3.12Å; S149-S152 WeakPolarHBondContact CB-OG 3.41Å; S149-S152 PolarHBondContact O-N 2.59Å; S149-S152 PolarHBondContact OG-N 2.82Å; S149-S152 VanDerWaalsContact OG-N 3.17Å; S149-S152 PolarHBondContact OG-OG 3.25Å; S149-N153 WeakPolarHBondContact O-CA 3.42Å; S149-N153 PolarHBondContact O-N 3.17Å; S149-Y154 PolarHBondContact N-O 3.1Å; S149-Y154 VanDerWaalsContact N-O 3.08Å; S149-Y154 PolarHBondContact O-N 2.69Å
150	A	93.3	Very high	95	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.6	173.8	0	0	0	0	0	112.7	T24 F25 F34 N121 F156	T24-A150 HydrophobicContact CG2-CB 4.18Å; F25-A150 HydrophobicContact CB-CB 4.34Å; F34-A150 WeakPolarHBondContact CD2-O 3.29Å; N121-A150 PolarHBondContact OD1-N 3.48Å; N121-A150 VanDerWaalsContact OD1-N 3.12Å; A150-F156 HydrophobicContact CB-CE2 4.35Å
151	K	92	Very high	95.3	Very high	67 Å²	67	34 Å²	34	29%	0.291	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-37.5	-179.8	-166	-178.3	-166.8	-171.6	0	113.1	F34 D124 S149 E185 V186	F34-K151 HydrophobicContact CD2-CB 4.27Å; F34-K151 HydrophobicContact CD2-CG 4.36Å; F34-K151 HydrophobicContact CE1-CG 4.15Å; F34-K151 VanDerWaalsContact CE2-CA 3.43Å; F34-K151 HydrophobicContact CE2-CB 3.62Å; F34-K151 HydrophobicContact CE2-CG 3.87Å; F34-K151 HydrophobicContact CZ-CB 3.9Å; F34-K151 HydrophobicContact CZ-CD 4.28Å; F34-K151 HydrophobicContact CZ-CG 3.75Å; D124-K151 WeakPolarHBondContact OD2-CD 3.04Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 PolarHBondContact OG-N 3.12Å; K151-E185 HydrophobicContact CG-CB 3.88Å; K151-E185 PolarHBondContact O-N 2.85Å; K151-E185 VanDerWaalsContact O-N 3.1Å; K151-V186 HydrophobicContact CD-CB 4.21Å; K151-V186 HydrophobicContact CD-CG2 3.85Å; K151-V186 VanDerWaalsContact CE-CG2 3.46Å; K151-V186 HydrophobicContact CG-CB 4.43Å; K151-V186 HydrophobicContact CG-CG2 4.42Å
152	S	91.4	Very high	95.4	Very high	13 Å²	13	30.7 Å²	30.7	9%	0.091	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.2	-176.1	63.7	0	0	0	0	114.1	S149 Y154 V186 M188	S149-S152 WeakPolarHBondContact CB-OG 3.41Å; S149-S152 PolarHBondContact O-N 2.59Å; S149-S152 PolarHBondContact OG-N 2.82Å; S149-S152 VanDerWaalsContact OG-N 3.17Å; S149-S152 PolarHBondContact OG-OG 3.25Å; S152-Y154 PolarHBondContact O-N 3.19Å; S152-Y154 WeakPolarHBondContact OG-CB 3.47Å; S152-Y154 PolarHBondContact OG-N 3.48Å; S152-V186 VanDerWaalsContact CA-O 3.3Å; S152-V186 WeakPolarHBondContact CA-O 3.35Å; S152-V186 WeakPolarHBondContact CB-O 3.3Å; S152-M188 WeakPolarHBondContact OG-CG 3.38Å
153	N	91.3	Very high	95.7	Very high	29 Å²	29	23.5 Å²	23.5	16%	0.155	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	17.6	-170.5	-51.9	-25.3	0	0	0	113.6	R28 S149 N155 F156 L181 A182	R28-N153 PolarHBondContact NE-OD1 2.94Å; R28-N153 PolarHBondContact NH2-ND2 3.39Å; R28-N153 PolarHBondContact NH2-OD1 3.29Å; R28-N153 VanDerWaalsContact NH2-OD1 3.16Å; S149-N153 WeakPolarHBondContact O-CA 3.42Å; S149-N153 PolarHBondContact O-N 3.17Å; N153-N155 PolarHBondContact O-N 3.43Å; N153-F156 HydrophobicContact CB-CB 4.44Å; N153-F156 WeakPolarHBondContact O-CB 3.49Å; N153-F156 PolarHBondContact O-N 2.86Å; N153-L181 HydrophobicContact CB-CD1 4.15Å; N153-A182 PolarHBondContact ND2-O 2.83Å
154	Y	94	Very high	95.7	Very high	27 Å²	27	22.6 Å²	22.6	11%	0.106	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-66.4	126.1	178.9	179.7	-111.8	0	0	0	111.6	V123 D147 I148 S149 S152 F156 M188 V193 E197	V123-Y154 HydrophobicContact CG2-CD1 3.59Å; V123-Y154 HydrophobicContact CG2-CE1 4.05Å; D147-Y154 HydrophobicContact CB-CE1 4.09Å; I148-Y154 WeakPolarHBondContact CA-O 3.28Å; S149-Y154 PolarHBondContact N-O 3.1Å; S149-Y154 VanDerWaalsContact N-O 3.08Å; S149-Y154 PolarHBondContact O-N 2.69Å; S152-Y154 PolarHBondContact O-N 3.19Å; S152-Y154 WeakPolarHBondContact OG-CB 3.47Å; S152-Y154 PolarHBondContact OG-N 3.48Å; Y154-F156 PolarHBondContact O-N 3.29Å; Y154-F156 VanDerWaalsContact O-N 3.11Å; Y154-M188 HydrophobicContact CD1-CE 4.2Å; Y154-M188 HydrophobicContact CG-CE 4.28Å; Y154-M188 HydrophobicContact CG-CG 4.35Å; Y154-V193 HydrophobicContact CD2-CG1 4.49Å; Y154-V193 HydrophobicContact CD2-CG2 4.27Å; Y154-V193 HydrophobicContact CE2-CB 4.39Å; Y154-V193 HydrophobicContact CE2-CG1 3.53Å; Y154-V193 HydrophobicContact CE2-CG2 4Å; Y154-E197 PolarHBondContact OH-OE1 2.84Å
155	N	93.9	Very high	95.8	Very high	19 Å²	19	23.7 Å²	23.7	10%	0.102	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26	-178.9	-69.5	-23	0	0	0	114.5	D147 I148 N153 E157 K158 P159	D147-N155 WeakPolarHBondContact O-CB 3.44Å; D147-N155 PolarHBondContact O-ND2 3.38Å; I148-N155 HydrophobicContact CG2-CB 4.12Å; N153-N155 PolarHBondContact O-N 3.43Å; N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.1Å; N155-K158 HydrophobicContact CB-CB 4.47Å; N155-K158 HydrophobicContact CB-CD 3.88Å; N155-K158 HydrophobicContact CB-CG 4.19Å; N155-K158 PolarHBondContact O-N 2.94Å; N155-K158 WeakPolarHBondContact OD1-CD 3.39Å; N155-K158 WeakPolarHBondContact OD1-CE 3.37Å; N155-K158 PolarHBondContact OD1-NZ 2.92Å; N155-P159 VanDerWaalsContact O-CD 3.3Å; N155-P159 WeakPolarHBondContact O-CD 3.48Å
156	F	90.5	Very high	95.8	Very high	1 Å²	1	29 Å²	29	0%	0.004	13%	0.128	C	C	.	.			trans	-64.6	-37	-165.2	-167.3	-118.6	0	0	0	112.9	F25 R28 H29 A150 N153 Y154 L181	F25-F156 HydrophobicContact CB-CE2 4.5Å; F25-F156 AromaticContact CD2-CD2 3.58Å; F25-F156 HydrophobicContact CD2-CD2 3.58Å; F25-F156 AromaticContact CD2-CE2 3.27Å; F25-F156 HydrophobicContact CD2-CE2 3.27Å; F25-F156 HydrophobicContact CD2-CZ 4.22Å; F25-F156 AromaticContact CE2-CD2 3.54Å; F25-F156 HydrophobicContact CE2-CD2 3.54Å; F25-F156 AromaticContact CE2-CE2 3.64Å; F25-F156 HydrophobicContact CE2-CE2 3.64Å; F25-F156 HydrophobicContact CE2-CG 4.33Å; F25-F156 HydrophobicContact CG-CE2 4.06Å; F25-F156 VanDerWaalsContact O-CZ 3.22Å; F25-F156 WeakPolarHBondContact O-CZ 3.34Å; R28-F156 HydrophobicContact CB-CE1 4.28Å; R28-F156 HydrophobicContact CB-CE2 4.12Å; R28-F156 HydrophobicContact CB-CZ 3.46Å; R28-F156 VanDerWaalsContact CB-CZ 3.46Å; R28-F156 HydrophobicContact CG-CE1 3.88Å; R28-F156 HydrophobicContact CG-CE2 3.96Å; R28-F156 HydrophobicContact CG-CZ 3.37Å; H29-F156 HydrophobicContact CB-CE1 4.19Å; H29-F156 HydrophobicContact CB-CZ 4.4Å; H29-F156 AromaticContact CD2-CD1 3.84Å; H29-F156 AromaticContact CD2-CE1 3.49Å; H29-F156 VanDerWaalsContact CD2-CE1 3.49Å; H29-F156 WeakPolarHBondContact CD2-CE1 3.49Å; H29-F156 AromaticContact CE1-CD1 3.16Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.5Å; H29-F156 AromaticContact CE1-CD2 3.71Å; H29-F156 AromaticContact CE1-CE1 2.95Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.5Å; H29-F156 AromaticContact CE1-CE2 3.51Å; H29-F156 AromaticContact CE1-CG 3.53Å; H29-F156 AromaticContact CE1-CZ 3.11Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.37Å; H29-F156 PolarHBondContact CE1-O 2.98Å; H29-F156 AromaticContact CG-CE1 3.34Å; H29-F156 AromaticContact CG-CZ 3.65Å; H29-F156 AromaticContact ND1-CD1 3.78Å; H29-F156 AromaticContact ND1-CE1 3.04Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.48Å; H29-F156 AromaticContact ND1-CE2 3.66Å; H29-F156 AromaticContact ND1-CZ 2.93Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.16Å; H29-F156 AromaticContact NE2-CD1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.21Å; H29-F156 AromaticContact NE2-CE1 3.28Å; H29-F156 VanDerWaalsContact NE2-CE1 3.28Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.28Å; H29-F156 AromaticContact NE2-CG 3.88Å; H29-F156 AromaticContact NE2-CZ 3.92Å; H29-F156 PolarHBondContact NE2-O 2.75Å; A150-F156 HydrophobicContact CB-CE2 4.35Å; N153-F156 HydrophobicContact CB-CB 4.44Å; N153-F156 WeakPolarHBondContact O-CB 3.49Å; N153-F156 PolarHBondContact O-N 2.86Å; Y154-F156 PolarHBondContact O-N 3.29Å; Y154-F156 VanDerWaalsContact O-N 3.11Å; F156-L181 HydrophobicContact CD1-CD1 3.79Å; F156-L181 HydrophobicContact CD1-CD2 3.99Å; F156-L181 HydrophobicContact CE1-CD1 4.23Å; F156-L181 HydrophobicContact CE1-CD2 3.58Å
157	E	93	Very high	95.8	Very high	60 Å²	60	29 Å²	29	28%	0.28	13%	0.131	S	C	.	.	S	Bend	trans	-84.8	-20.4	179.6	71.6	-70.5	161.4	0	0	114.3	N155 F160 L161 F175	N155-E157 VanDerWaalsContact C-N 3.32Å; N155-E157 PolarHBondContact O-N 3.1Å; E157-F160 PolarHBondContact O-N 3.19Å; E157-F160 VanDerWaalsContact O-N 3.14Å; E157-L161 PolarHBondContact O-N 3.25Å; E157-F175 HydrophobicContact CB-CD2 4.06Å; E157-F175 HydrophobicContact CB-CE2 4.04Å; E157-F175 HydrophobicContact CG-CD2 4.39Å
158	K	96.5	Very high	95.7	Very high	67 Å²	67	32.2 Å²	32.2	29%	0.291	15%	0.148	S	C	.	.	H	α-helix	trans	-57.2	-42.2	-173.5	-68.6	-169	178	166.9	0	113.8	Y146 N155 F160 L161 W162	Y146-K158 HydrophobicContact CD1-CB 3.95Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.06Å; Y146-K158 HydrophobicContact CE1-CB 3.88Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.42Å; Y146-K158 HydrophobicContact CE2-CB 3.97Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; N155-K158 HydrophobicContact CB-CB 4.47Å; N155-K158 HydrophobicContact CB-CD 3.88Å; N155-K158 HydrophobicContact CB-CG 4.19Å; N155-K158 PolarHBondContact O-N 2.94Å; N155-K158 WeakPolarHBondContact OD1-CD 3.39Å; N155-K158 WeakPolarHBondContact OD1-CE 3.37Å; N155-K158 PolarHBondContact OD1-NZ 2.92Å; K158-F160 PolarHBondContact O-N 3.09Å; K158-L161 PolarHBondContact O-N 3.33Å; K158-W162 WeakPolarHBondContact O-CB 3.02Å; K158-W162 PolarHBondContact O-N 3.07Å
159	P	98.2	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-47.5	175.3	-26.4	36	0	0	0	112.7	F25 I86 V117 C119 Y146 I148 N155 W162 L163	F25-P159 HydrophobicContact CZ-CG 4.36Å; I86-P159 HydrophobicContact CD1-CB 3.81Å; I86-P159 HydrophobicContact CG1-CB 4.44Å; V117-P159 HydrophobicContact CB-CB 4.47Å; V117-P159 HydrophobicContact CG1-CB 4.01Å; V117-P159 HydrophobicContact CG1-CG 4.41Å; C119-P159 VanDerWaalsContact SG-CG 3.5Å; Y146-P159 HydrophobicContact CD2-CG 4.12Å; I148-P159 HydrophobicContact CG2-CG 4.22Å; N155-P159 VanDerWaalsContact O-CD 3.3Å; N155-P159 WeakPolarHBondContact O-CD 3.48Å; P159-W162 PolarHBondContact O-N 3.3Å; P159-L163 WeakPolarHBondContact O-CB 3.5Å; P159-L163 VanDerWaalsContact O-CG 3.3Å; P159-L163 WeakPolarHBondContact O-CG 3.31Å; P159-L163 PolarHBondContact O-N 3.06Å
160	F	98	Very high	95.8	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-40.7	-179.1	-68.6	-80	0	0	0	112.1	L12 F25 H29 L49 F51 F60 V62 I86 E157 K158 L163 A164 F175	L12-F160 HydrophobicContact CD1-CD1 4.06Å; L12-F160 HydrophobicContact CD1-CE1 3.75Å; F25-F160 HydrophobicContact CE1-CD2 4.48Å; F25-F160 AromaticContact CE1-CE2 3.41Å; F25-F160 HydrophobicContact CE1-CE2 3.41Å; F25-F160 VanDerWaalsContact CE1-CE2 3.41Å; F25-F160 AromaticContact CE1-CZ 3.77Å; F25-F160 HydrophobicContact CE1-CZ 3.77Å; F25-F160 HydrophobicContact CZ-CD2 4.18Å; F25-F160 AromaticContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CE2 3.45Å; F25-F160 VanDerWaalsContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CZ 4.28Å; H29-F160 AromaticContact CD2-CE2 3.92Å; H29-F160 AromaticContact CE1-CD2 3.82Å; H29-F160 AromaticContact CE1-CE2 3.28Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.37Å; H29-F160 AromaticContact ND1-CE2 3.65Å; H29-F160 AromaticContact NE2-CD2 3.54Å; H29-F160 AromaticContact NE2-CE2 3.42Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.34Å; L49-F160 HydrophobicContact CD1-CE1 3.97Å; L49-F160 HydrophobicContact CD1-CZ 3.69Å; F51-F160 HydrophobicContact CE1-CB 3.98Å; F51-F160 HydrophobicContact CE1-CD2 4.21Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.1Å; F51-F160 AromaticContact CE2-CD1 3.58Å; F51-F160 HydrophobicContact CE2-CD1 3.58Å; F51-F160 HydrophobicContact CE2-CD2 4.41Å; F51-F160 HydrophobicContact CE2-CE1 4.02Å; F51-F160 AromaticContact CE2-CG 3.78Å; F51-F160 HydrophobicContact CE2-CG 3.78Å; F51-F160 HydrophobicContact CZ-CB 3.72Å; F51-F160 AromaticContact CZ-CD1 3.62Å; F51-F160 HydrophobicContact CZ-CD1 3.62Å; F51-F160 AromaticContact CZ-CD2 3.6Å; F51-F160 HydrophobicContact CZ-CD2 3.6Å; F51-F160 HydrophobicContact CZ-CE1 4.06Å; F51-F160 HydrophobicContact CZ-CE2 4.06Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.27Å; F60-F160 HydrophobicContact CB-CE1 4.35Å; F60-F160 AromaticContact CD2-CD1 3.6Å; F60-F160 HydrophobicContact CD2-CD1 3.6Å; F60-F160 HydrophobicContact CD2-CE1 4.24Å; F60-F160 HydrophobicContact CE2-CB 4.25Å; F60-F160 AromaticContact CE2-CD1 3.9Å; F60-F160 HydrophobicContact CE2-CD1 3.9Å; F60-F160 HydrophobicContact CG-CD1 4.07Å; F60-F160 HydrophobicContact CG-CE1 4.35Å; V62-F160 HydrophobicContact CG2-CE1 4.06Å; V62-F160 HydrophobicContact CG2-CZ 4.42Å; I86-F160 HydrophobicContact CD1-CZ 4.43Å; E157-F160 PolarHBondContact O-N 3.19Å; E157-F160 VanDerWaalsContact O-N 3.14Å; K158-F160 PolarHBondContact O-N 3.09Å; F160-L163 PolarHBondContact O-N 2.91Å; F160-A164 VanDerWaalsContact O-CB 3.28Å; F160-A164 WeakPolarHBondContact O-CB 3.39Å; F160-A164 PolarHBondContact O-N 3.39Å; F160-F175 HydrophobicContact CB-CE2 4.18Å; F160-F175 HydrophobicContact CB-CZ 3.96Å
161	L	97.9	Very high	96	Very high	30 Å²	30	40.9 Å²	40.9	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-45	178.4	-177.5	59.4	0	0	0	111.5	E157 K158 A164 R165 L173 F175	E157-L161 PolarHBondContact O-N 3.25Å; K158-L161 PolarHBondContact O-N 3.33Å; L161-A164 PolarHBondContact O-N 3.21Å; L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.25Å; L161-R165 PolarHBondContact O-N 3.28Å; L161-L173 HydrophobicContact CD1-CD2 3.85Å; L161-F175 HydrophobicContact CB-CD2 4.24Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.96Å; L161-F175 HydrophobicContact CD1-CD1 4.07Å; L161-F175 HydrophobicContact CD1-CD2 4.33Å; L161-F175 HydrophobicContact CD1-CE1 4.06Å; L161-F175 HydrophobicContact CD1-CE2 4.33Å; L161-F175 HydrophobicContact CD1-CG 4.21Å; L161-F175 HydrophobicContact CD1-CZ 4.2Å
162	W	98.5	Very high	96.2	Very high	40 Å²	40	42.9 Å²	42.9	15%	0.152	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-43.7	177.6	-174.2	97	0	0	0	111.9	P115 V117 Q144 Y146 K158 P159 R165 K166	P115-W162 HydrophobicContact CB-CH2 4.3Å; P115-W162 HydrophobicContact CB-CZ3 3.82Å; V117-W162 HydrophobicContact CG2-CD2 4.28Å; V117-W162 HydrophobicContact CG2-CE3 3.47Å; V117-W162 VanDerWaalsContact CG2-CE3 3.47Å; V117-W162 HydrophobicContact CG2-CZ3 3.9Å; Q144-W162 HydrophobicContact CB-CD2 3.69Å; Q144-W162 VanDerWaalsContact CB-CE2 3.45Å; Q144-W162 HydrophobicContact CB-CE3 4.06Å; Q144-W162 HydrophobicContact CB-CG 4.17Å; Q144-W162 HydrophobicContact CB-CH2 4.02Å; Q144-W162 HydrophobicContact CB-CZ2 3.64Å; Q144-W162 HydrophobicContact CB-CZ3 4.2Å; Q144-W162 HydrophobicContact CG-CD2 3.93Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.15Å; Y146-W162 HydrophobicContact CE2-CB 4.07Å; K158-W162 WeakPolarHBondContact O-CB 3.02Å; K158-W162 PolarHBondContact O-N 3.07Å; P159-W162 PolarHBondContact O-N 3.3Å; W162-R165 PolarHBondContact O-N 3.25Å; W162-K166 HydrophobicContact CD2-CG 4.05Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.39Å; W162-K166 HydrophobicContact CH2-CG 3.8Å; W162-K166 HydrophobicContact CZ2-CD 4.19Å; W162-K166 HydrophobicContact CZ2-CG 3.85Å; W162-K166 HydrophobicContact CZ3-CG 3.86Å; W162-K166 WeakPolarHBondContact O-CG 3.29Å; W162-K166 PolarHBondContact O-N 2.99Å
163	L	98.6	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-45.3	175.7	-73.6	176.7	0	0	0	111.7	L12 F60 C84 I86 P115 V117 P159 F160 R165 K166 L167	L12-L163 HydrophobicContact CD1-CD1 3.52Å; L12-L163 HydrophobicContact CG-CD1 4.36Å; F60-L163 HydrophobicContact CE1-CB 4.25Å; F60-L163 HydrophobicContact CZ-CB 4.06Å; C84-L163 HydrophobicContact CB-CD1 4.17Å; C84-L163 HydrophobicContact CB-CD2 3.72Å; C84-L163 HydrophobicContact CB-CG 4.39Å; I86-L163 HydrophobicContact CD1-CD1 4.34Å; I86-L163 HydrophobicContact CG1-CD1 3.97Å; P115-L163 HydrophobicContact CB-CD2 3.86Å; P115-L163 HydrophobicContact CG-CD2 4.22Å; P115-L163 WeakPolarHBondContact O-CD2 3.19Å; V117-L163 HydrophobicContact CG2-CD1 4.25Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.73Å; P159-L163 WeakPolarHBondContact O-CB 3.5Å; P159-L163 VanDerWaalsContact O-CG 3.3Å; P159-L163 WeakPolarHBondContact O-CG 3.31Å; P159-L163 PolarHBondContact O-N 3.06Å; F160-L163 PolarHBondContact O-N 2.91Å; L163-R165 PolarHBondContact O-N 2.88Å; L163-K166 PolarHBondContact O-N 3.5Å; L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 WeakPolarHBondContact O-CD1 3.47Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 2.83Å
164	A	98.1	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-45.6	177.9	0	0	0	0	0	112	I58 F60 F160 L161 K166 L167 L168 L173	I58-A164 HydrophobicContact CD1-CB 3.34Å; F60-A164 HydrophobicContact CE2-CB 4.45Å; F60-A164 HydrophobicContact CZ-CB 4.2Å; F160-A164 VanDerWaalsContact O-CB 3.28Å; F160-A164 WeakPolarHBondContact O-CB 3.39Å; F160-A164 PolarHBondContact O-N 3.39Å; L161-A164 PolarHBondContact O-N 3.21Å; A164-K166 VanDerWaalsContact C-N 3.32Å; A164-K166 PolarHBondContact O-N 2.86Å; A164-L167 PolarHBondContact O-N 3.3Å; A164-L168 WeakPolarHBondContact O-CB 3.31Å; A164-L168 PolarHBondContact O-N 3.38Å; A164-L173 HydrophobicContact CB-CD2 3.7Å
165	R	98.4	Very high	96.8	Very high	80 Å²	80	46.9 Å²	46.9	30%	0.302	25%	0.245	S	C	.	.	H	α-helix	trans	-58.4	-42.8	175.2	-72.5	172.3	173.8	175.8	-4.7	112.1	L161 W162 L163 G169 D170 P171 L173	L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.25Å; L161-R165 PolarHBondContact O-N 3.28Å; W162-R165 PolarHBondContact O-N 3.25Å; L163-R165 PolarHBondContact O-N 2.88Å; R165-G169 WeakPolarHBondContact O-CA 3.44Å; R165-G169 PolarHBondContact O-N 3.17Å; R165-D170 WeakPolarHBondContact CG-O 3.23Å; R165-D170 PolarHBondContact O-N 2.91Å; R165-P171 PolarHBondContact NE-O 2.76Å; R165-L173 HydrophobicContact CG-CB 3.98Å; R165-L173 HydrophobicContact CG-CD2 4.45Å; R165-L173 VanDerWaalsContact CZ-O 3.28Å; R165-L173 PolarHBondContact NE-O 3.27Å; R165-L173 PolarHBondContact NH2-O 3.38Å
166	K	98.1	Very high	96.8	Very high	126 Å²	126	50.6 Å²	50.6	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-44.6	178.3	-72.6	-64.2	-172.4	179.7	0	112.7	P115 W162 L163 A164	P115-K166 HydrophobicContact CB-CB 3.89Å; P115-K166 HydrophobicContact CB-CG 4.33Å; P115-K166 HydrophobicContact CG-CB 4.28Å; W162-K166 HydrophobicContact CD2-CG 4.05Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.39Å; W162-K166 HydrophobicContact CH2-CG 3.8Å; W162-K166 HydrophobicContact CZ2-CD 4.19Å; W162-K166 HydrophobicContact CZ2-CG 3.85Å; W162-K166 HydrophobicContact CZ3-CG 3.86Å; W162-K166 WeakPolarHBondContact O-CG 3.29Å; W162-K166 PolarHBondContact O-N 2.99Å; L163-K166 PolarHBondContact O-N 3.5Å; A164-K166 VanDerWaalsContact C-N 3.32Å; A164-K166 PolarHBondContact O-N 2.86Å
167	L	97.8	Very high	96.5	Very high	44 Å²	44	52.9 Å²	52.9	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-35.8	-177.6	-71.7	164.9	0	0	0	112.9	F10 F60 Q83 C84 P115 L163 A164	F10-L167 HydrophobicContact CB-CD1 4.02Å; F10-L167 HydrophobicContact CD1-CB 4.25Å; F10-L167 HydrophobicContact CD1-CD1 3.9Å; F10-L167 HydrophobicContact CD1-CD2 4.03Å; F10-L167 HydrophobicContact CD1-CG 4.29Å; F10-L167 HydrophobicContact CD2-CD1 4.1Å; F10-L167 HydrophobicContact CE1-CB 3.92Å; F10-L167 HydrophobicContact CE1-CD1 4.4Å; F10-L167 HydrophobicContact CE1-CD2 4.31Å; F10-L167 HydrophobicContact CE1-CG 4.45Å; F10-L167 HydrophobicContact CE2-CB 4.45Å; F10-L167 HydrophobicContact CG-CD1 3.74Å; F10-L167 HydrophobicContact CZ-CB 4.03Å; F60-L167 HydrophobicContact CE1-CD1 3.62Å; F60-L167 HydrophobicContact CZ-CD1 4.19Å; Q83-L167 HydrophobicContact CB-CD2 4.34Å; Q83-L167 WeakPolarHBondContact O-CD2 3.48Å; C84-L167 HydrophobicContact CB-CD1 4.04Å; C84-L167 HydrophobicContact CB-CD2 4.47Å; P115-L167 HydrophobicContact CG-CD2 3.91Å; P115-L167 HydrophobicContact CG-CG 4.11Å; L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 WeakPolarHBondContact O-CD1 3.47Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 2.83Å; A164-L167 PolarHBondContact O-N 3.3Å
168	L	96.9	Very high	95.6	Very high	69 Å²	69	57.6 Å²	57.6	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-92.6	-8.1	179.9	-66.2	173.3	0	0	0	113.5	F10 I58 A164 D170 L173	F10-L168 HydrophobicContact CE2-CD2 4.31Å; F10-L168 HydrophobicContact CZ-CD2 3.87Å; F10-L168 HydrophobicContact CZ-CG 4.35Å; I58-L168 HydrophobicContact CG2-CD1 3.82Å; A164-L168 WeakPolarHBondContact O-CB 3.31Å; A164-L168 PolarHBondContact O-N 3.38Å; L168-D170 PolarHBondContact O-N 2.73Å; L168-L173 HydrophobicContact CD1-CD1 3.37Å
169	G	97.5	Very high	94.2	Very high	64 Å²	64	56 Å²	56	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	17.5	-177.4	0	0	0	0	0	114.4	R165	R165-G169 WeakPolarHBondContact O-CA 3.44Å; R165-G169 PolarHBondContact O-N 3.17Å
170	D	97.7	Very high	92.9	Very high	29 Å²	29	60.7 Å²	60.7	16%	0.155	35%	0.346	C	S	.	.			trans	-111.8	101.3	179.7	-173.6	-4.8	0	0	0	110.4	R55 R165 L168 N172 L173	R55-D170 IonicContact CZ-OD2 2.75Å; R55-D170 VanDerWaalsContact CZ-OD2 3.3Å; R55-D170 IonicContact NE-OD2 3.93Å; R55-D170 PolarHBondContact NE-OD2 3.21Å; R55-D170 IonicContact NH2-OD2 2.98Å; R55-D170 PolarHBondContact NH2-OD2 3.44Å; R165-D170 WeakPolarHBondContact CG-O 3.23Å; R165-D170 PolarHBondContact O-N 2.91Å; L168-D170 PolarHBondContact O-N 2.73Å; D170-N172 PolarHBondContact O-N 3.23Å; D170-N172 WeakPolarHBondContact OD1-CA 3.38Å; D170-N172 WeakPolarHBondContact OD1-CB 3.38Å; D170-N172 PolarHBondContact OD1-N 3.03Å; D170-L173 HydrophobicContact CB-CB 4.26Å; D170-L173 WeakPolarHBondContact O-CB 3.5Å; D170-L173 PolarHBondContact O-N 2.95Å
171	P	97.1	Very high	91.7	Very high	92 Å²	92	63 Å²	63	60%	0.597	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.9	177.2	27.9	-34.3	0	0	0	113.4	R165 L173	R165-P171 PolarHBondContact NE-O 2.76Å; P171-L173 VanDerWaalsContact C-N 3.32Å
172	N	97.6	Very high	90.6	Very high	109 Å²	109	63.3 Å²	63.3	58%	0.583	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8.4	179.6	-55.9	-52.9	0	0	0	112.6	N54 D170 E174	N54-N172 PolarHBondContact ND2-O 2.83Å; D170-N172 PolarHBondContact O-N 3.23Å; D170-N172 WeakPolarHBondContact OD1-CA 3.38Å; D170-N172 WeakPolarHBondContact OD1-CB 3.38Å; D170-N172 PolarHBondContact OD1-N 3.03Å; N172-E174 PolarHBondContact O-N 2.77Å
173	L	97.5	Very high	89.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	39%	0.39	C	S	.	.			trans	-66.4	134.3	174.2	-173.3	133.8	0	0	0	110.1	T53 N54 R55 L161 A164 R165 L168 D170 P171	T53-L173 HydrophobicContact CG2-CD1 4.19Å; T53-L173 HydrophobicContact CG2-CD2 3.9Å; T53-L173 HydrophobicContact CG2-CG 4.2Å; N54-L173 WeakPolarHBondContact OD1-CA 3.27Å; R55-L173 HydrophobicContact CB-CD1 4.32Å; R55-L173 HydrophobicContact CG-CD1 4.09Å; L161-L173 HydrophobicContact CD1-CD2 3.85Å; A164-L173 HydrophobicContact CB-CD2 3.7Å; R165-L173 HydrophobicContact CG-CB 3.98Å; R165-L173 HydrophobicContact CG-CD2 4.45Å; R165-L173 VanDerWaalsContact CZ-O 3.28Å; R165-L173 PolarHBondContact NE-O 3.27Å; R165-L173 PolarHBondContact NH2-O 3.38Å; L168-L173 HydrophobicContact CD1-CD1 3.37Å; D170-L173 HydrophobicContact CB-CB 4.26Å; D170-L173 WeakPolarHBondContact O-CB 3.5Å; D170-L173 PolarHBondContact O-N 2.95Å; P171-L173 VanDerWaalsContact C-N 3.32Å
174	E	96.6	Very high	88.7	Confident	112 Å²	112	69 Å²	69	52%	0.523	41%	0.407	S	S	.	.			trans	-136.3	147.5	-178.6	-68.1	-177.1	170	0	0	110.1	T53 N54 N172	T53-E174 CarbonylContact C-O 3.48Å; T53-E174 WeakPolarHBondContact CA-O 3.16Å; T53-E174 WeakPolarHBondContact CB-O 3.45Å; N54-E174 PolarHBondContact N-O 3.49Å; N54-E174 PolarHBondContact OD1-N 2.9Å; N54-E174 PolarHBondContact OD1-O 3.48Å; N172-E174 PolarHBondContact O-N 2.77Å
175	F	95.1	Very high	87.9	Confident	42 Å²	42	73.2 Å²	73.2	18%	0.184	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125	169	-64.8	-27.2	0	0	0	110	F51 H52 T53 I58 E157 F160 L161	F51-F175 HydrophobicContact CB-CD1 4.05Å; F51-F175 HydrophobicContact CB-CE1 3.6Å; F51-F175 HydrophobicContact CB-CZ 3.96Å; F51-F175 HydrophobicContact CD1-CD1 4.48Å; F51-F175 HydrophobicContact CD1-CD2 4.14Å; F51-F175 HydrophobicContact CD1-CE1 4Å; F51-F175 AromaticContact CD1-CE2 3.59Å; F51-F175 HydrophobicContact CD1-CE2 3.59Å; F51-F175 AromaticContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CE1-CE2 4.01Å; F51-F175 HydrophobicContact CE1-CZ 4.16Å; F51-F175 AromaticContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE1 3.99Å; F51-F175 HydrophobicContact CG-CE2 4.34Å; F51-F175 AromaticContact CG-CZ 3.8Å; F51-F175 HydrophobicContact CG-CZ 3.8Å; H52-F175 CarbonylContact O-C 3.56Å; H52-F175 VanDerWaalsContact O-CA 3.29Å; H52-F175 WeakPolarHBondContact O-CA 3.35Å; T53-F175 HydrophobicContact CG2-CD1 3.98Å; T53-F175 HydrophobicContact CG2-CE1 4.09Å; I58-F175 HydrophobicContact CD1-CE1 4.21Å; E157-F175 HydrophobicContact CB-CD2 4.06Å; E157-F175 HydrophobicContact CB-CE2 4.04Å; E157-F175 HydrophobicContact CG-CD2 4.39Å; F160-F175 HydrophobicContact CB-CE2 4.18Å; F160-F175 HydrophobicContact CB-CZ 3.96Å; L161-F175 HydrophobicContact CB-CD2 4.24Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.96Å; L161-F175 HydrophobicContact CD1-CD1 4.07Å; L161-F175 HydrophobicContact CD1-CD2 4.33Å; L161-F175 HydrophobicContact CD1-CE1 4.06Å; L161-F175 HydrophobicContact CD1-CE2 4.33Å; L161-F175 HydrophobicContact CD1-CG 4.21Å; L161-F175 HydrophobicContact CD1-CZ 4.2Å
176	V	93.9	Very high	87.2	Confident	96 Å²	96	71.9 Å²	71.9	58%	0.582	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	-10.8	-177.6	-64.2	0	0	0	0	113.1	H52 N54	H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 PolarHBondContact O-N 2.79Å; N54-V176 HydrophobicContact CB-CG1 3.88Å
177	A	84.4	Confident	86.5	Confident	49 Å²	49	73.9 Å²	73.9	41%	0.405	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.6	171.8	0	0	0	0	0	109	H52	H52-A177 HydrophobicContact CB-CB 4.19Å
178	M	72.4	Confident	86.1	Confident	159 Å²	159	73.1 Å²	73.1	78%	0.783	43%	0.434	S	S	*	.			trans	-72.5	142.3	168.2	-69.8	-173.6	171.2	0	0	109.1
179	P	68.9	Low	85.7	Confident	35 Å²	35	73.3 Å²	73.3	23%	0.227	44%	0.435	C	S	.	.			trans	-52	148.4	164	-20.8	31.6	0	0	0	109.6	F51 L181	F51-P179 HydrophobicContact CD1-CG 4.45Å; F51-P179 HydrophobicContact CE1-CG 4.2Å; P179-L181 HydrophobicContact CB-CD2 4.18Å; P179-L181 HydrophobicContact CB-CG 4.4Å; P179-L181 PolarHBondContact O-N 3.09Å
180	A	70.4	Confident	85.4	Confident	97 Å²	97	75.1 Å²	75.1	80%	0.802	44%	0.436	S	S	*	.			trans	-69.1	79.6	175.2	0	0	0	0	0	109.9
181	L	73.3	Confident	85.1	Confident	50 Å²	50	78.5 Å²	78.5	26%	0.262	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-79.4	134.7	177.2	-58.4	178.4	0	0	0	109.1	R28 N153 F156 P179	R28-L181 WeakPolarHBondContact O-CD2 3.43Å; N153-L181 HydrophobicContact CB-CD1 4.15Å; F156-L181 HydrophobicContact CD1-CD1 3.79Å; F156-L181 HydrophobicContact CD1-CD2 3.99Å; F156-L181 HydrophobicContact CE1-CD1 4.23Å; F156-L181 HydrophobicContact CE1-CD2 3.58Å; P179-L181 HydrophobicContact CB-CD2 4.18Å; P179-L181 HydrophobicContact CB-CG 4.4Å; P179-L181 PolarHBondContact O-N 3.09Å
182	A	73.6	Confident	84.7	Confident	37 Å²	37	75.2 Å²	75.2	31%	0.306	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-64.5	157.6	167.1	0	0	0	0	0	109.2	R28 G32 N153	R28-A182 PolarHBondContact NH2-O 3.2Å; G32-A182 WeakPolarHBondContact O-CB 3.32Å; G32-A182 PolarHBondContact O-N 2.66Å; N153-A182 PolarHBondContact ND2-O 2.83Å
183	P	78.6	Confident	84.4	Confident	106 Å²	106	71.2 Å²	71.2	69%	0.688	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-49.9	145.6	175.4	-27.5	35.2	0	0	0	111.9	R28 E185	R28-P183 PolarHBondContact NH2-O 2.66Å; P183-E185 PolarHBondContact O-N 2.7Å
184	P	79	Confident	84.1	Confident	53 Å²	53	73.2 Å²	73.2	34%	0.344	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60	137.8	177.3	26.8	-34.5	0	0	0	110.7	V186	P184-V186 WeakPolarHBondContact CB-O 2.98Å; P184-V186 PolarHBondContact O-N 3.03Å
185	E	81.1	Confident	83.9	Confident	89 Å²	89	72.7 Å²	72.7	42%	0.416	43%	0.428	S	S	.	.	S	Bend	trans	-69.7	-24.3	175.3	-76.5	-81.4	162.7	0	0	111.6	F34 K36 K151 P183	F34-E185 HydrophobicContact CB-CG 3.7Å; F34-E185 HydrophobicContact CD1-CB 4.5Å; F34-E185 HydrophobicContact CD1-CG 3.79Å; F34-E185 HydrophobicContact CG-CG 3.89Å; K36-E185 WeakPolarHBondContact CE-OE1 3.36Å; K36-E185 WeakPolarHBondContact CE-OE2 3.49Å; K36-E185 IonicContact NZ-OE1 2.66Å; K36-E185 PolarHBondContact NZ-OE1 2.94Å; K36-E185 IonicContact NZ-OE2 2.77Å; K36-E185 PolarHBondContact NZ-OE2 3.5Å; K151-E185 HydrophobicContact CG-CB 3.88Å; K151-E185 PolarHBondContact O-N 2.85Å; K151-E185 VanDerWaalsContact O-N 3.1Å; P183-E185 PolarHBondContact O-N 2.7Å
186	V	83.2	Confident	83.7	Confident	51 Å²	51	71.3 Å²	71.3	31%	0.309	42%	0.421	S	S	.	.	S	Bend	trans	-141.7	134.9	175.3	171.2	0	0	0	0	108.2	K151 S152 P184	K151-V186 HydrophobicContact CD-CB 4.21Å; K151-V186 HydrophobicContact CD-CG2 3.85Å; K151-V186 VanDerWaalsContact CE-CG2 3.46Å; K151-V186 HydrophobicContact CG-CB 4.43Å; K151-V186 HydrophobicContact CG-CG2 4.42Å; S152-V186 VanDerWaalsContact CA-O 3.3Å; S152-V186 WeakPolarHBondContact CA-O 3.35Å; S152-V186 WeakPolarHBondContact CB-O 3.3Å; P184-V186 WeakPolarHBondContact CB-O 2.98Å; P184-V186 PolarHBondContact O-N 3.03Å
187	Q	85.1	Confident	83.6	Confident	169 Å²	169	71.1 Å²	71.1	79%	0.79	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-81.6	131.8	168.8	-67.3	-178.9	-8	0	0	109.5
188	M	87.6	Confident	84	Confident	27 Å²	27	75.3 Å²	75.3	13%	0.133	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-67.2	133.9	169.6	-70.7	-74.2	-73.2	0	0	109.4	V123 D124 S152 Y154 P190 M192 V193 Y196	V123-M188 HydrophobicContact CB-CE 4.28Å; V123-M188 HydrophobicContact CG2-CE 3.56Å; V123-M188 HydrophobicContact CG2-SD 4.29Å; D124-M188 WeakPolarHBondContact CA-SD 3.5Å; D124-M188 HydrophobicContact CB-SD 3.64Å; S152-M188 WeakPolarHBondContact OG-CG 3.38Å; Y154-M188 HydrophobicContact CD1-CE 4.2Å; Y154-M188 HydrophobicContact CG-CE 4.28Å; Y154-M188 HydrophobicContact CG-CG 4.35Å; M188-P190 WeakPolarHBondContact O-CD 3.24Å; M188-M192 HydrophobicContact CE-CE 3.4Å; M188-M192 VanDerWaalsContact CE-CE 3.4Å; M188-M192 HydrophobicContact SD-CE 3.71Å; M188-V193 HydrophobicContact CB-CG2 3.63Å; M188-V193 HydrophobicContact CE-CG2 3.9Å; M188-V193 HydrophobicContact CG-CG2 4.37Å; M188-Y196 HydrophobicContact CE-CE2 4.46Å
189	D	89.5	Confident	85	Confident	73 Å²	73	70.8 Å²	70.8	39%	0.39	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-63.3	119.9	171.1	-177.1	-23.8	0	0	0	109.3	T191 M192 V193	D189-T191 PolarHBondContact O-N 3.24Å; D189-T191 WeakPolarHBondContact OD1-CB 3.26Å; D189-T191 PolarHBondContact OD1-N 3.33Å; D189-T191 PolarHBondContact OD1-OG1 3.29Å; D189-T191 PolarHBondContact OD2-OG1 3.37Å; D189-M192 HydrophobicContact CB-CB 3.92Å; D189-M192 WeakPolarHBondContact O-CB 3.31Å; D189-M192 PolarHBondContact O-N 2.78Å; D189-V193 PolarHBondContact O-N 3.31Å
190	P	90.1	Very high	86	Confident	103 Å²	103	71.4 Å²	71.4	67%	0.669	40%	0.403	S	S	*	.	H	α-helix	trans	-56.7	-31.9	-179	-25.9	35.1	0	0	0	113.6	M188 V193 A194	M188-P190 WeakPolarHBondContact O-CD 3.24Å; P190-V193 PolarHBondContact O-N 2.77Å; P190-A194 PolarHBondContact O-N 2.99Å
191	T	91.7	Very high	87	Confident	100 Å²	100	69.2 Å²	69.2	61%	0.613	39%	0.385	S	S	*	.	H	α-helix	trans	-68.6	-39.5	177.5	64.6	0	0	0	0	111.4	D189 Q195	D189-T191 PolarHBondContact O-N 3.24Å; D189-T191 WeakPolarHBondContact OD1-CB 3.26Å; D189-T191 PolarHBondContact OD1-N 3.33Å; D189-T191 PolarHBondContact OD1-OG1 3.29Å; D189-T191 PolarHBondContact OD2-OG1 3.37Å; T191-Q195 WeakPolarHBondContact O-CB 3.37Å; T191-Q195 PolarHBondContact O-N 3.26Å
192	M	89.7	Confident	87.8	Confident	23 Å²	23	69.9 Å²	69.9	11%	0.113	40%	0.398	C	S	.	.	H	α-helix	trans	-68.4	-38.9	175.9	-171.2	-177	70.2	0	0	111.6	V123 M188 D189 Q195 Y196	V123-M192 WeakPolarHBondContact O-CE 2.93Å; M188-M192 HydrophobicContact CE-CE 3.4Å; M188-M192 VanDerWaalsContact CE-CE 3.4Å; M188-M192 HydrophobicContact SD-CE 3.71Å; D189-M192 HydrophobicContact CB-CB 3.92Å; D189-M192 WeakPolarHBondContact O-CB 3.31Å; D189-M192 PolarHBondContact O-N 2.78Å; M192-Q195 PolarHBondContact O-N 2.84Å; M192-Y196 HydrophobicContact CE-CE2 3.92Å; M192-Y196 HydrophobicContact CG-CD2 4.1Å; M192-Y196 HydrophobicContact CG-CE1 4.29Å; M192-Y196 HydrophobicContact CG-CE2 3.48Å; M192-Y196 VanDerWaalsContact CG-CE2 3.48Å; M192-Y196 WeakPolarHBondContact O-CD2 3.35Å; M192-Y196 PolarHBondContact O-N 2.62Å; M192-Y196 HydrophobicContact SD-CE2 3.82Å
193	V	90.3	Very high	88.6	Confident	25 Å²	25	69 Å²	69	15%	0.152	39%	0.391	C	S	.	.	H	α-helix	trans	-59.4	-52.8	173.9	170.1	0	0	0	0	110.6	Y154 M188 D189 P190 Q195 Y196 E197	Y154-V193 HydrophobicContact CD2-CG1 4.49Å; Y154-V193 HydrophobicContact CD2-CG2 4.27Å; Y154-V193 HydrophobicContact CE2-CB 4.39Å; Y154-V193 HydrophobicContact CE2-CG1 3.53Å; Y154-V193 HydrophobicContact CE2-CG2 4Å; M188-V193 HydrophobicContact CB-CG2 3.63Å; M188-V193 HydrophobicContact CE-CG2 3.9Å; M188-V193 HydrophobicContact CG-CG2 4.37Å; D189-V193 PolarHBondContact O-N 3.31Å; P190-V193 PolarHBondContact O-N 2.77Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 3.3Å; V193-Y196 PolarHBondContact O-N 3.46Å; V193-Y196 VanDerWaalsContact O-N 3.15Å; V193-E197 WeakPolarHBondContact O-CG 3.41Å; V193-E197 PolarHBondContact O-N 2.96Å
194	A	92.1	Very high	88.9	Confident	41 Å²	41	66.5 Å²	66.5	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-40.4	179	0	0	0	0	0	111.9	P190 E197 Q198	P190-A194 PolarHBondContact O-N 2.99Å; A194-E197 PolarHBondContact O-N 2.98Å; A194-Q198 WeakPolarHBondContact O-CB 3.48Å; A194-Q198 VanDerWaalsContact O-CG 3.27Å; A194-Q198 WeakPolarHBondContact O-CG 3.4Å; A194-Q198 PolarHBondContact O-N 2.93Å
195	Q	92.8	Very high	89.2	Confident	101 Å²	101	70.8 Å²	70.8	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-61.2	-48.1	175	-176.8	-178.1	-8.9	0	0	111.8	T191 M192 V193 E197 Q198 E199	T191-Q195 WeakPolarHBondContact O-CB 3.37Å; T191-Q195 PolarHBondContact O-N 3.26Å; M192-Q195 PolarHBondContact O-N 2.84Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.1Å; Q195-Q198 PolarHBondContact O-N 3.49Å; Q195-E199 HydrophobicContact CG-CG 4.43Å; Q195-E199 PolarHBondContact NE2-OE1 2.66Å; Q195-E199 WeakPolarHBondContact O-CB 3.06Å; Q195-E199 WeakPolarHBondContact O-CG 3.32Å; Q195-E199 PolarHBondContact O-N 3.37Å
196	Y	91.1	Very high	89.5	Confident	14 Å²	14	68.7 Å²	68.7	6%	0.055	40%	0.397	C	S	.	.	H	α-helix	trans	-64.4	-39.5	179.8	-67.6	-27.6	0	0	0	112.7	V123 M188 M192 V193 E199 I200	V123-Y196 HydrophobicContact CB-CD2 4.29Å; V123-Y196 HydrophobicContact CB-CE2 4.04Å; V123-Y196 WeakPolarHBondContact O-CE2 3.42Å; M188-Y196 HydrophobicContact CE-CE2 4.46Å; M192-Y196 HydrophobicContact CE-CE2 3.92Å; M192-Y196 HydrophobicContact CG-CD2 4.1Å; M192-Y196 HydrophobicContact CG-CE1 4.29Å; M192-Y196 HydrophobicContact CG-CE2 3.48Å; M192-Y196 VanDerWaalsContact CG-CE2 3.48Å; M192-Y196 WeakPolarHBondContact O-CD2 3.35Å; M192-Y196 PolarHBondContact O-N 2.62Å; M192-Y196 HydrophobicContact SD-CE2 3.82Å; V193-Y196 PolarHBondContact O-N 3.46Å; V193-Y196 VanDerWaalsContact O-N 3.15Å; Y196-E199 PolarHBondContact O-N 2.95Å; Y196-I200 WeakPolarHBondContact O-CB 3.11Å; Y196-I200 VanDerWaalsContact O-CG1 3.29Å; Y196-I200 WeakPolarHBondContact O-CG1 3.5Å; Y196-I200 PolarHBondContact O-N 2.69Å
197	E	91.5	Very high	89.5	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-42.2	175.4	-70.1	-175.6	153.5	0	0	111.7	Y154 V193 A194 Q195 I200 A201	Y154-E197 PolarHBondContact OH-OE1 2.84Å; V193-E197 WeakPolarHBondContact O-CG 3.41Å; V193-E197 PolarHBondContact O-N 2.96Å; A194-E197 PolarHBondContact O-N 2.98Å; Q195-E197 PolarHBondContact O-N 3.1Å; E197-I200 PolarHBondContact O-N 3.09Å; E197-A201 WeakPolarHBondContact O-CB 3.39Å; E197-A201 PolarHBondContact O-N 3.29Å
198	Q	93.3	Very high	89.2	Confident	138 Å²	138	70.1 Å²	70.1	65%	0.645	40%	0.402	S	S	*	.	H	α-helix	trans	-63.2	-44.8	174.1	-73.2	175	5.4	0	0	112.1	A194 Q195 I200 A201 A202	A194-Q198 WeakPolarHBondContact O-CB 3.48Å; A194-Q198 VanDerWaalsContact O-CG 3.27Å; A194-Q198 WeakPolarHBondContact O-CG 3.4Å; A194-Q198 PolarHBondContact O-N 2.93Å; Q195-Q198 PolarHBondContact O-N 3.49Å; Q198-I200 PolarHBondContact O-N 3Å; Q198-A201 PolarHBondContact O-N 3.18Å; Q198-A202 WeakPolarHBondContact O-CB 3.32Å; Q198-A202 PolarHBondContact O-N 3.02Å
199	E	91.9	Very high	88.7	Confident	63 Å²	63	72.8 Å²	72.8	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-39.1	178.3	-74.6	-178.1	-168.7	0	0	112.1	A132 Q195 Y196 A203	A132-E199 HydrophobicContact CB-CB 3.83Å; Q195-E199 HydrophobicContact CG-CG 4.43Å; Q195-E199 PolarHBondContact NE2-OE1 2.66Å; Q195-E199 WeakPolarHBondContact O-CB 3.06Å; Q195-E199 WeakPolarHBondContact O-CG 3.32Å; Q195-E199 PolarHBondContact O-N 3.37Å; Y196-E199 PolarHBondContact O-N 2.95Å; E199-A203 VanDerWaalsContact O-CB 3.3Å; E199-A203 WeakPolarHBondContact O-CB 3.36Å; E199-A203 PolarHBondContact O-N 3.48Å
200	I	90	Very high	87.7	Confident	48 Å²	48	76.7 Å²	76.7	25%	0.246	44%	0.442	C	S	.	.	H	α-helix	trans	-65.8	-46.3	174.5	-71.4	165.6	0	0	0	110.7	A132 Y145 D147 Y196 E197 Q198 A202 A203 A204	A132-I200 HydrophobicContact CB-CG1 4.04Å; Y145-I200 HydrophobicContact CE1-CD1 4.07Å; Y145-I200 HydrophobicContact CE1-CG1 4.3Å; D147-I200 HydrophobicContact CB-CD1 3.99Å; D147-I200 WeakPolarHBondContact OD2-CD1 3.4Å; Y196-I200 WeakPolarHBondContact O-CB 3.11Å; Y196-I200 VanDerWaalsContact O-CG1 3.29Å; Y196-I200 WeakPolarHBondContact O-CG1 3.5Å; Y196-I200 PolarHBondContact O-N 2.69Å; E197-I200 PolarHBondContact O-N 3.09Å; Q198-I200 PolarHBondContact O-N 3Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 2.96Å; I200-A203 PolarHBondContact O-N 2.8Å; I200-A204 WeakPolarHBondContact O-CB 3.47Å; I200-A204 PolarHBondContact O-N 3.2Å
201	A	91	Very high	86.1	Confident	52 Å²	52	77.2 Å²	77.2	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-40.6	178.3	0	0	0	0	0	111.8	E197 Q198 A204 N205	E197-A201 WeakPolarHBondContact O-CB 3.39Å; E197-A201 PolarHBondContact O-N 3.29Å; Q198-A201 PolarHBondContact O-N 3.18Å; A201-A204 PolarHBondContact O-N 2.94Å; A201-N205 PolarHBondContact O-N 3.14Å; A201-N205 PolarHBondContact O-ND2 3.5Å
202	A	91.9	Very high	84.2	Confident	63 Å²	63	79.9 Å²	79.9	52%	0.521	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-44.5	174.4	0	0	0	0	0	111.9	Q198 I200 A204 N205 A206	Q198-A202 WeakPolarHBondContact O-CB 3.32Å; Q198-A202 PolarHBondContact O-N 3.02Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 2.96Å; A202-A204 VanDerWaalsContact C-N 3.33Å; A202-A204 PolarHBondContact O-N 3.21Å; A202-N205 PolarHBondContact O-N 3.12Å; A202-A206 PolarHBondContact O-N 2.98Å; A202-A206 VanDerWaalsContact O-N 3.09Å
203	A	88.6	Confident	82	Confident	20 Å²	20	86.7 Å²	86.7	17%	0.165	48%	0.481	C	S	.	.	H	α-helix	trans	-67.4	-30.3	179	0	0	0	0	0	113.5	A132 R139 E199 I200 N205 A206	A132-A203 HydrophobicContact CB-CB 4.17Å; R139-A203 PolarHBondContact NH1-O 3.49Å; E199-A203 VanDerWaalsContact O-CB 3.3Å; E199-A203 WeakPolarHBondContact O-CB 3.36Å; E199-A203 PolarHBondContact O-N 3.48Å; I200-A203 PolarHBondContact O-N 2.8Å; A203-N205 VanDerWaalsContact C-N 3.28Å; A203-N205 PolarHBondContact O-N 3.28Å; A203-A206 PolarHBondContact O-N 3.37Å
204	A	86.4	Confident	79.6	Confident	52 Å²	52	93.9 Å²	93.9	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-32.7	174.6	0	0	0	0	0	112.2	I200 A201 A202	I200-A204 WeakPolarHBondContact O-CB 3.47Å; I200-A204 PolarHBondContact O-N 3.2Å; A201-A204 PolarHBondContact O-N 2.94Å; A202-A204 VanDerWaalsContact C-N 3.33Å; A202-A204 PolarHBondContact O-N 3.21Å
205	N	85.3	Confident	77.3	Confident	143 Å²	143	98.7 Å²	98.7	77%	0.765	54%	0.538	S	S	*	.	H	α-helix	trans	-92.2	-11.8	180	-66.6	-45.1	0	0	0	113.9	A201 A202 A203	A201-N205 PolarHBondContact O-N 3.14Å; A201-N205 PolarHBondContact O-ND2 3.5Å; A202-N205 PolarHBondContact O-N 3.12Å; A203-N205 VanDerWaalsContact C-N 3.28Å; A203-N205 PolarHBondContact O-N 3.28Å
206	A	85.9	Confident	76.6	Confident	46 Å²	46	98.6 Å²	98.6	38%	0.38	54%	0.541	S	S	.	.	S	Bend	trans	-71.1	152.2	178.2	0	0	0	0	0	111.7	R139 A202 A203	R139-A206 PolarHBondContact NH1-O 3.44Å; R139-A206 PolarHBondContact NH2-O 3.24Å; A202-A206 PolarHBondContact O-N 2.98Å; A202-A206 VanDerWaalsContact O-N 3.09Å; A203-A206 PolarHBondContact O-N 3.37Å
207	E	83.7	Confident	75.8	Confident	186 Å²	186	103 Å²	103	87%	0.869	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-61.9	143.5	169.7	-69.3	178.9	169.3	0	0	110.3
208	L	80	Confident	74.9	Confident	64 Å²	64	103.7 Å²	103.7	34%	0.335	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-71	136.4	172.6	-72.8	172.4	0	0	0	107.9	T136 R139 D210	T136-L208 HydrophobicContact CG2-CD2 4.06Å; R139-L208 HydrophobicContact CB-CD1 4.24Å; R139-L208 HydrophobicContact CB-CD2 3.96Å; R139-L208 HydrophobicContact CG-CD2 4.46Å; L208-D210 PolarHBondContact O-N 2.87Å
209	P	76.2	Confident	73.8	Confident	82 Å²	82	101.6 Å²	101.6	53%	0.532	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-55	135.8	171.4	-19.1	29.7	0	0	0	109.6	D211	P209-D211 PolarHBondContact O-N 3.26Å
210	D	67.7	Low	72.7	Confident	156 Å²	156	104.1 Å²	104.1	83%	0.834	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.7	131	172.6	-71.3	-39	0	0	0	109.4	L208 D212	L208-D210 PolarHBondContact O-N 2.87Å; D210-D212 PolarHBondContact O-N 2.86Å
211	D	57.9	Low	71.6	Confident	113 Å²	113	107.8 Å²	107.8	60%	0.604	61%	0.611	S	S	*	*	S	Bend	trans	-72	81.7	-172	-80.4	-32.6	0	0	0	111.7	K140 P209	K140-D211 VanDerWaalsContact CE-OD1 3.23Å; K140-D211 WeakPolarHBondContact CE-OD1 3.17Å; K140-D211 IonicContact NZ-OD1 2.83Å; K140-D211 PolarHBondContact NZ-OD1 3.01Å; K140-D211 IonicContact NZ-OD2 2.79Å; P209-D211 PolarHBondContact O-N 3.26Å
212	D	50.4	Low	70.2	Confident	157 Å²	157	111.8 Å²	111.8	84%	0.84	62%	0.624	S	S	*	*			trans	-114	2.3	170.1	-87	-27.7	0	0	0	114	D210	D210-D212 PolarHBondContact O-N 2.86Å
213	E	44.8	Very low	68.5	Low	165 Å²	165	115.5 Å²	115.5	77%	0.771	63%	0.632	S	S	*	*			trans	-133.7	96.8	169.6	-72	-172.3	173.3	0	0	110.4	L215	E213-L215 PolarHBondContact O-N 3.07Å
214	D	39.5	Very low	66.8	Low	176 Å²	176	123.5 Å²	123.5	94%	0.941	67%	0.67	S	S	*	*			trans	-53.2	100.8	157.3	-79.2	-38.9	0	0	0	108.5
215	L	44.3	Very low	65.1	Low	142 Å²	142	130 Å²	130	74%	0.743	69%	0.692	S	S	*	*			trans	-75.6	0	169.1	-90.7	171.3	0	0	0	111.9	K98 E213	K98-L215 HydrophobicContact CD-CD2 4.28Å; K98-L215 WeakPolarHBondContact CE-OXT 3.23Å; K98-L215 HydrophobicContact CG-CD2 4.33Å; E213-L215 PolarHBondContact O-N 3.07Å

Retrieved 215 of 215 residues in 137.2 ms (Link to these results)

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