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GTP-binding nuclear protein Ran-4

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 , UniProt , Accession Q9FLQ3, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene RAN4, Length 222 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	39.1	Very low	49.7	Very low	244 Å²	244	143.8 Å²	143.8	100%	1.202	78%	0.782	S	S	*	*				0	101.3	0	-78.9	178	-93.3	0	0	107.3
2	A	38.5	Very low	53.5	Low	100 Å²	100	137.3 Å²	137.3	83%	0.826	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-78.1	125.8	172.7	0	0	0	0	0	107.3
3	L	36.3	Very low	56.9	Low	162 Å²	162	130.8 Å²	130.8	85%	0.848	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-57.2	132.8	170.4	-72.1	165.5	0	0	0	107.7	N5	L3-N5 PolarHBondContact O-N 2.77Å
4	P	38.9	Very low	59.8	Low	112 Å²	112	124.1 Å²	124.1	73%	0.727	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-57	134.8	-176.7	23.8	-32.3	0	0	0	108.7	Q6	P4-Q6 PolarHBondContact O-N 3.33Å
5	N	39.3	Very low	62.4	Low	157 Å²	157	117.5 Å²	117.5	84%	0.84	64%	0.642	S	S	*	*			trans	-36.3	102.1	176.3	-92.2	-12.5	0	0	0	109.6	L3 Q7	L3-N5 PolarHBondContact O-N 2.77Å; N5-Q7 PolarHBondContact O-N 2.8Å
6	Q	43.2	Very low	64.6	Low	187 Å²	187	110.2 Å²	110.2	87%	0.874	60%	0.602	S	S	*	*			trans	-62.5	91.6	161.3	-75.8	175.8	-50	0	0	104.2	P4 N8	P4-Q6 PolarHBondContact O-N 3.33Å; Q6-N8 PolarHBondContact O-N 2.79Å
7	Q	39.8	Very low	66.6	Low	164 Å²	164	103.7 Å²	103.7	77%	0.766	57%	0.567	S	S	*	*			trans	-59.6	96.6	158.6	-71.8	-174.9	0	0	0	103.5	N5 V9	N5-Q7 PolarHBondContact O-N 2.8Å; Q7-V9 WeakPolarHBondContact O-CG2 3.42Å; Q7-V9 PolarHBondContact O-N 2.88Å
8	N	45.1	Very low	68.3	Low	142 Å²	142	97.9 Å²	97.9	76%	0.759	54%	0.535	S	S	*	.			trans	-61.3	94.4	170.8	-143.2	8.9	0	0	0	103.2	Q6 D10	Q6-N8 PolarHBondContact O-N 2.79Å; N8-D10 VanDerWaalsContact C-N 3.27Å; N8-D10 PolarHBondContact O-N 2.78Å
9	V	55.5	Low	69.7	Low	126 Å²	126	92.8 Å²	92.8	76%	0.764	51%	0.507	S	S	*	.			trans	-70.1	99.4	179.3	-171.5	0	0	0	0	103.7	Q7 L11	Q7-V9 WeakPolarHBondContact O-CG2 3.42Å; Q7-V9 PolarHBondContact O-N 2.88Å; V9-L11 PolarHBondContact O-N 3.06Å
10	D	79.7	Confident	71.1	Confident	136 Å²	136	88.2 Å²	88.2	73%	0.727	48%	0.482	S	S	*	.			trans	-53.1	118.8	-177	-72.3	-35.4	0	0	0	108.5	N8 P12	N8-D10 VanDerWaalsContact C-N 3.27Å; N8-D10 PolarHBondContact O-N 2.78Å; D10-P12 WeakPolarHBondContact O-CD 3.18Å; D10-P12 VanDerWaalsContact O-N 3.09Å
11	L	91.3	Very high	72.2	Confident	52 Å²	52	84.6 Å²	84.6	27%	0.272	46%	0.462	S	S	.	.			trans	-55	115.7	178.2	172.1	62.1	0	0	0	108.7	V9 T13 K61 R63	V9-L11 PolarHBondContact O-N 3.06Å; L11-T13 PolarHBondContact O-N 3.18Å; L11-T13 PolarHBondContact O-OG1 2.92Å; L11-K61 HydrophobicContact CD1-CB 3.82Å; L11-K61 HydrophobicContact CD1-CD 4.03Å; L11-K61 HydrophobicContact CD1-CG 3.72Å; L11-K61 VanDerWaalsContact CD1-O 3.3Å; L11-K61 WeakPolarHBondContact CD1-O 3.39Å; L11-R63 HydrophobicContact CD2-CB 3.88Å; L11-R63 HydrophobicContact CG-CB 4.13Å
12	P	95.3	Very high	74.8	Confident	66 Å²	66	74.6 Å²	74.6	43%	0.429	42%	0.422	S	S	.	.			trans	-56.7	111.3	179.9	-26.9	35.9	0	0	0	110.5	D10 F14 I62 R63	D10-P12 WeakPolarHBondContact O-CD 3.18Å; D10-P12 VanDerWaalsContact O-N 3.09Å; P12-F14 HydrophobicContact CB-CE2 4.11Å; P12-F14 HydrophobicContact CB-CZ 4.02Å; P12-I62 HydrophobicContact CB-CG2 4.38Å; P12-I62 WeakPolarHBondContact O-CA 3.3Å; P12-R63 PolarHBondContact O-N 2.95Å
13	T	97.6	Very high	77.4	Confident	53 Å²	53	72.6 Å²	72.6	33%	0.325	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.2	-171.7	-62.7	0	0	0	0	109.8	L11 R63 E65	L11-T13 PolarHBondContact O-N 3.18Å; L11-T13 PolarHBondContact O-OG1 2.92Å; T13-R63 CarbonylContact C-O 3.55Å; T13-R63 WeakPolarHBondContact CA-O 3.39Å; T13-R63 HydrophobicContact CG2-CB 4.25Å; T13-R63 HydrophobicContact CG2-CG 4.05Å; T13-E65 HydrophobicContact CG2-CB 4.32Å; T13-E65 HydrophobicContact CG2-CG 3.56Å
14	F	98	Very high	80.3	Confident	37 Å²	37	64.9 Å²	64.9	16%	0.162	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	-174.3	-53.9	-73.6	0	0	0	111.1	P12 L16 I62 R63 F64 E65 Q87 I171	P12-F14 HydrophobicContact CB-CE2 4.11Å; P12-F14 HydrophobicContact CB-CZ 4.02Å; F14-L16 PolarHBondContact O-N 3.32Å; F14-I62 HydrophobicContact CE2-CB 4.11Å; F14-I62 HydrophobicContact CE2-CG2 4.2Å; F14-R63 PolarHBondContact N-O 3.3Å; F14-F64 HydrophobicContact CB-CD1 3.78Å; F14-F64 HydrophobicContact CB-CE1 3.89Å; F14-F64 HydrophobicContact CD2-CE1 4.31Å; F14-F64 HydrophobicContact CG-CE1 4.41Å; F14-F64 CarbonylContact O-C 3.56Å; F14-F64 WeakPolarHBondContact O-CA 3.49Å; F14-E65 PolarHBondContact O-N 3.41Å; F14-Q87 VanDerWaalsContact CA-OE1 3.3Å; F14-I171 HydrophobicContact CB-CD1 4.3Å; F14-I171 HydrophobicContact CD1-CD1 4.42Å; F14-I171 HydrophobicContact CD1-CG2 3.62Å; F14-I171 HydrophobicContact CE1-CG2 3.41Å; F14-I171 VanDerWaalsContact CE1-CG2 3.41Å; F14-I171 HydrophobicContact CG-CD1 4.3Å; F14-I171 HydrophobicContact CG-CG2 4.37Å; F14-I171 HydrophobicContact CZ-CG2 4.01Å
15	K	97.8	Very high	82.9	Confident	25 Å²	25	60.1 Å²	60.1	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	107.4	174.6	-178.6	169.2	173.8	172.7	0	110.6	W67 Y82 I84 Q87 C88	K15-W67 HydrophobicContact CD-CD2 4.37Å; K15-W67 HydrophobicContact CD-CZ2 4.26Å; K15-W67 VanDerWaalsContact CE-CD2 3.47Å; K15-W67 VanDerWaalsContact CE-CE2 3.42Å; K15-W67 HydrophobicContact CG-CG 4.33Å; K15-Y82 VanDerWaalsContact CE-O 3.27Å; K15-Y82 WeakPolarHBondContact CE-O 3.49Å; K15-Y82 PolarHBondContact NZ-O 2.73Å; K15-I84 WeakPolarHBondContact CE-O 3.45Å; K15-I84 PolarHBondContact NZ-O 3.13Å; K15-Q87 PolarHBondContact O-N 3.09Å; K15-C88 PolarHBondContact O-N 3.1Å
16	L	98.6	Very high	85.6	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122	177	-175.6	153.3	0	0	0	109.9	F14 I18 F64 E65 C66 W67 C88 I90 F164 L167	F14-L16 PolarHBondContact O-N 3.32Å; L16-I18 HydrophobicContact CD2-CB 4.29Å; L16-F64 HydrophobicContact CB-CB 4.23Å; L16-F64 HydrophobicContact CB-CD1 3.93Å; L16-F64 HydrophobicContact CB-CG 4.41Å; L16-F64 HydrophobicContact CD1-CB 4.3Å; L16-F64 HydrophobicContact CD1-CD1 3.79Å; L16-F64 HydrophobicContact CD1-CE1 4.23Å; L16-F64 HydrophobicContact CD1-CG 3.97Å; L16-E65 PolarHBondContact N-O 2.79Å; L16-C66 HydrophobicContact CD2-CB 4.38Å; L16-C66 CarbonylContact O-C 3.55Å; L16-C66 WeakPolarHBondContact O-CA 3.5Å; L16-W67 PolarHBondContact O-N 3.05Å; L16-C88 VanDerWaalsContact CB-SG 3.59Å; L16-I90 HydrophobicContact CD1-CD1 4.24Å; L16-I90 HydrophobicContact CD2-CD1 4.18Å; L16-I90 HydrophobicContact CD2-CG1 4.29Å; L16-F164 HydrophobicContact CD1-CD1 3.78Å; L16-F164 HydrophobicContact CD1-CE1 3.68Å; L16-L167 HydrophobicContact CD1-CD1 3.65Å; L16-L167 HydrophobicContact CG-CD1 4.35Å
17	L	97.7	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.6	174.1	-57.6	174.5	0	0	0	109.7	W67 Y83 C88 A89 I90 L111	L17-W67 HydrophobicContact CD2-CB 3.98Å; L17-W67 HydrophobicContact CD2-CG 4.4Å; L17-Y83 HydrophobicContact CD1-CD1 3.85Å; L17-Y83 HydrophobicContact CD1-CG 4.04Å; L17-Y83 HydrophobicContact CD2-CD1 4.18Å; L17-C88 PolarHBondContact N-O 3.44Å; L17-A89 HydrophobicContact CB-CB 4.17Å; L17-A89 CarbonylContact O-C 3.55Å; L17-A89 WeakPolarHBondContact O-CA 3.47Å; L17-I90 PolarHBondContact O-N 3.22Å; L17-L111 HydrophobicContact CB-CD2 4.17Å; L17-L111 HydrophobicContact CD1-CD2 3.52Å
18	I	97.4	Very high	90.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.7	168.2	-167.2	168.2	0	0	0	109.9	L16 K26 F29 L30 W67 D68 T69 I90 M92	L16-I18 HydrophobicContact CD2-CB 4.29Å; I18-K26 HydrophobicContact CD1-CB 3.85Å; I18-K26 HydrophobicContact CD1-CG 4.09Å; I18-K26 HydrophobicContact CG1-CB 3.99Å; I18-K26 HydrophobicContact CG1-CD 4Å; I18-K26 HydrophobicContact CG1-CG 3.87Å; I18-K26 HydrophobicContact CG2-CB 4.28Å; I18-F29 HydrophobicContact CD1-CD1 3.85Å; I18-F29 HydrophobicContact CD1-CE1 4.37Å; I18-L30 HydrophobicContact CD1-CG 4.45Å; I18-L30 HydrophobicContact CG2-CD1 3.72Å; I18-L30 HydrophobicContact CG2-CG 4.5Å; I18-W67 PolarHBondContact N-O 2.82Å; I18-W67 VanDerWaalsContact N-O 3.1Å; I18-D68 HydrophobicContact CG2-CB 4.12Å; I18-T69 PolarHBondContact O-N 3.07Å; I18-T69 PolarHBondContact O-OG1 2.99Å; I18-I90 WeakPolarHBondContact CA-O 3.43Å; I18-I90 HydrophobicContact CD1-CB 4.41Å; I18-I90 HydrophobicContact CD1-CG2 4.21Å; I18-I90 HydrophobicContact CG1-CB 4.04Å; I18-I90 HydrophobicContact CG1-CG2 4.11Å; I18-M92 HydrophobicContact CD1-CE 4.07Å
19	V	96.1	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.1	-172.8	-53.7	0	0	0	0	111.1	K26 Y83 I90 I91 M92 W107 L111	V19-K26 VanDerWaalsContact C-CD 3.47Å; V19-Y83 HydrophobicContact CG1-CE1 3.66Å; V19-I90 PolarHBondContact N-O 2.75Å; V19-I91 HydrophobicContact CG2-CB 4.32Å; V19-I91 HydrophobicContact CG2-CG1 3.79Å; V19-I91 HydrophobicContact CG2-CG2 4.39Å; V19-I91 WeakPolarHBondContact O-CA 3.43Å; V19-M92 PolarHBondContact O-N 3.22Å; V19-W107 HydrophobicContact CB-CD2 4.37Å; V19-W107 HydrophobicContact CB-CE3 3.71Å; V19-W107 HydrophobicContact CB-CZ3 4.11Å; V19-W107 HydrophobicContact CG1-CE3 4.49Å; V19-W107 HydrophobicContact CG2-CB 4.11Å; V19-W107 HydrophobicContact CG2-CE3 4.2Å; V19-L111 HydrophobicContact CG1-CD2 4.17Å; V19-L111 HydrophobicContact CG1-CG 4.41Å; V19-L111 HydrophobicContact CG2-CD1 3.54Å; V19-L111 HydrophobicContact CG2-CG 4.1Å
20	G	96.2	Very high	95.1	Very high	1 Å²	1	25 Å²	25	1%	0.01	16%	0.162	C	C	.	.			trans	140.7	166.1	-175.7	0	0	0	0	0	111	K26 G71 M92 W107	G20-K26 PolarHBondContact O-NZ 2.93Å; G20-G71 WeakPolarHBondContact O-CA 3.44Å; G20-M92 WeakPolarHBondContact CA-O 3.41Å; G20-W107 VanDerWaalsContact O-CZ2 3.24Å; G20-W107 WeakPolarHBondContact O-CZ2 3.35Å
21	D	95.4	Very high	95.9	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.064	14%	0.14	C	C	.	.	S	Bend	trans	-55.8	161.4	-177.1	-76.2	13.3	0	0	0	113.1	T24 K26 H99 T100 N103 W107	D21-T24 HydrophobicContact CB-CG2 3.99Å; D21-T24 WeakPolarHBondContact O-CG2 3.47Å; D21-T24 PolarHBondContact O-OG1 3.47Å; D21-K26 PolarHBondContact O-NZ 3.33Å; D21-H99 IonicContact OD2-CD2 3.39Å; D21-T100 HydrophobicContact CB-CG2 3.83Å; D21-T100 WeakPolarHBondContact OD2-CA 3.25Å; D21-N103 WeakPolarHBondContact OD1-CB 3.41Å; D21-N103 PolarHBondContact OD2-ND2 2.93Å; D21-W107 PolarHBondContact OD1-NE1 3.03Å
22	G	93.4	Very high	96	Very high	35 Å²	35	20.6 Å²	20.6	36%	0.361	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	143.6	170.8	0	0	0	0	0	111.2	T24 G71	G22-T24 VanDerWaalsContact C-N 3.27Å; G22-T24 PolarHBondContact O-N 2.71Å; G22-G71 PolarHBondContact N-O 3.04Å; G22-G71 VanDerWaalsContact N-O 3.11Å
23	G	93.4	Very high	95.9	Very high	58 Å²	58	19.1 Å²	19.1	60%	0.598	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	3	175.9	0	0	0	0	0	115.9	G25 K126	G23-G25 PolarHBondContact O-N 3.39Å; G23-K126 VanDerWaalsContact O-CE 3.28Å; G23-K126 WeakPolarHBondContact O-CE 3.43Å; G23-K126 PolarHBondContact O-NZ 3.32Å
24	T	95.6	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-72.2	-14.9	177.5	58.4	0	0	0	0	114.2	D21 G22 D94 T100 N125	D21-T24 HydrophobicContact CB-CG2 3.99Å; D21-T24 WeakPolarHBondContact O-CG2 3.47Å; D21-T24 PolarHBondContact O-OG1 3.47Å; G22-T24 VanDerWaalsContact C-N 3.27Å; G22-T24 PolarHBondContact O-N 2.71Å; T24-D94 HydrophobicContact CG2-CB 4.24Å; T24-T100 HydrophobicContact CG2-CG2 3.81Å; T24-N125 PolarHBondContact O-ND2 3.15Å
25	G	95.6	Very high	95.3	Very high	11 Å²	11	23.5 Å²	23.5	11%	0.113	15%	0.146	C	C	.	.	S	Bend	trans	98.5	20.3	175.9	0	0	0	0	0	115.3	G23 F29	G23-G25 PolarHBondContact O-N 3.39Å; G25-F29 WeakPolarHBondContact O-CB 3.35Å; G25-F29 PolarHBondContact O-N 3.44Å
26	K	95.8	Very high	95	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-55.4	-56.1	177.5	-58.4	-177.2	-58.7	-70.5	0	112.5	I18 V19 G20 D21 F29 L30 D68 T69 M92	I18-K26 HydrophobicContact CD1-CB 3.85Å; I18-K26 HydrophobicContact CD1-CG 4.09Å; I18-K26 HydrophobicContact CG1-CB 3.99Å; I18-K26 HydrophobicContact CG1-CD 4Å; I18-K26 HydrophobicContact CG1-CG 3.87Å; I18-K26 HydrophobicContact CG2-CB 4.28Å; V19-K26 VanDerWaalsContact C-CD 3.47Å; G20-K26 PolarHBondContact O-NZ 2.93Å; D21-K26 PolarHBondContact O-NZ 3.33Å; K26-F29 WeakPolarHBondContact O-CB 3.42Å; K26-F29 PolarHBondContact O-N 2.98Å; K26-L30 WeakPolarHBondContact O-CG 3.38Å; K26-L30 PolarHBondContact O-N 2.89Å; K26-D68 WeakPolarHBondContact CB-OD1 3.29Å; K26-T69 WeakPolarHBondContact CE-O 3.38Å; K26-M92 HydrophobicContact CG-CB 4.08Å; K26-M92 HydrophobicContact CG-SD 4.16Å
27	T	95.1	Very high	94.5	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.08	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-47.3	179.2	-40.8	0	0	0	0	111.5	F29 L30 K31 T42 T45 D68	T27-F29 VanDerWaalsContact C-N 3.28Å; T27-F29 PolarHBondContact O-N 2.89Å; T27-L30 PolarHBondContact O-N 3.31Å; T27-K31 HydrophobicContact CG2-CD 4.13Å; T27-K31 HydrophobicContact CG2-CG 4.36Å; T27-K31 WeakPolarHBondContact O-CB 3.4Å; T27-K31 WeakPolarHBondContact O-CG 3.35Å; T27-K31 PolarHBondContact O-N 2.81Å; T27-T42 HydrophobicContact CG2-CG2 3.99Å; T27-T45 PolarHBondContact OG1-OG1 3.13Å; T27-D68 WeakPolarHBondContact CA-OD2 3.29Å; T27-D68 WeakPolarHBondContact CB-OD2 3.37Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.41Å; T27-D68 PolarHBondContact OG1-OD2 3.16Å
28	T	95.3	Very high	94.1	Very high	18 Å²	18	34.9 Å²	34.9	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-40.6	177	-43.5	0	0	0	0	111.6	R32 F38 T42	T28-R32 WeakPolarHBondContact O-CB 3.32Å; T28-R32 PolarHBondContact O-N 3.44Å; T28-F38 HydrophobicContact CG2-CD2 3.81Å; T28-F38 HydrophobicContact CG2-CE2 3.48Å; T28-F38 VanDerWaalsContact CG2-CE2 3.48Å; T28-F38 HydrophobicContact CG2-CZ 4.24Å; T28-T42 PolarHBondContact OG1-OG1 3.19Å; T28-T42 VanDerWaalsContact OG1-OG1 3.12Å
29	F	96.3	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-43.4	177.3	171.2	-113.9	0	0	0	112.5	I18 G25 K26 T27 H33 I90 M92 M152 A154 F160 F164	I18-F29 HydrophobicContact CD1-CD1 3.85Å; I18-F29 HydrophobicContact CD1-CE1 4.37Å; G25-F29 WeakPolarHBondContact O-CB 3.35Å; G25-F29 PolarHBondContact O-N 3.44Å; K26-F29 WeakPolarHBondContact O-CB 3.42Å; K26-F29 PolarHBondContact O-N 2.98Å; T27-F29 VanDerWaalsContact C-N 3.28Å; T27-F29 PolarHBondContact O-N 2.89Å; F29-H33 AromaticContact CD2-CE1 3.74Å; F29-H33 AromaticContact CD2-ND1 3.83Å; F29-H33 AromaticContact CE2-CE1 3.17Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.35Å; F29-H33 AromaticContact CE2-ND1 3.7Å; F29-H33 AromaticContact CZ-CE1 3.52Å; F29-H33 PolarHBondContact O-N 2.88Å; F29-H33 PolarHBondContact O-ND1 3.24Å; F29-I90 HydrophobicContact CE1-CD1 4.09Å; F29-M92 HydrophobicContact CB-CE 3.99Å; F29-M92 HydrophobicContact CD1-CE 3.8Å; F29-M92 HydrophobicContact CE1-CE 4.34Å; F29-M92 HydrophobicContact CG-CE 3.87Å; F29-M152 HydrophobicContact CD2-CE 3.13Å; F29-M152 HydrophobicContact CE2-CE 3.08Å; F29-M152 HydrophobicContact CE2-SD 4.19Å; F29-M152 HydrophobicContact CG-CE 3.89Å; F29-M152 HydrophobicContact CZ-CE 3.86Å; F29-M152 HydrophobicContact CZ-SD 4.47Å; F29-A154 HydrophobicContact CB-CB 4.21Å; F29-A154 HydrophobicContact CD2-CB 4.45Å; F29-F160 AromaticContact CD2-CD2 3.78Å; F29-F160 HydrophobicContact CD2-CD2 3.78Å; F29-F160 AromaticContact CD2-CE2 3.49Å; F29-F160 HydrophobicContact CD2-CE2 3.49Å; F29-F160 VanDerWaalsContact CD2-CE2 3.49Å; F29-F160 HydrophobicContact CD2-CZ 4.34Å; F29-F160 AromaticContact CE2-CD2 3.72Å; F29-F160 HydrophobicContact CE2-CD2 3.72Å; F29-F160 AromaticContact CE2-CE2 3.86Å; F29-F160 HydrophobicContact CE2-CE2 3.86Å; F29-F160 HydrophobicContact CE2-CG 4.42Å; F29-F160 WeakPolarHBondContact CE2-O 3.39Å; F29-F160 WeakPolarHBondContact CZ-O 3.26Å; F29-F164 HydrophobicContact CE1-CD2 4.47Å; F29-F164 AromaticContact CE1-CE2 3.42Å; F29-F164 HydrophobicContact CE1-CE2 3.42Å; F29-F164 VanDerWaalsContact CE1-CE2 3.42Å; F29-F164 AromaticContact CE1-CZ 3.61Å; F29-F164 HydrophobicContact CE1-CZ 3.61Å; F29-F164 HydrophobicContact CE2-CE2 4.25Å; F29-F164 HydrophobicContact CZ-CD2 4.04Å; F29-F164 AromaticContact CZ-CE2 3.27Å; F29-F164 HydrophobicContact CZ-CE2 3.27Å; F29-F164 AromaticContact CZ-CZ 3.99Å; F29-F164 HydrophobicContact CZ-CZ 3.99Å
30	L	96.5	Very high	93	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.8	-49.1	178.3	-66.5	-179.9	0	0	0	112.3	I18 K26 T27 R32 H33 L34 Y51 L53 C66 D68 F164	I18-L30 HydrophobicContact CD1-CG 4.45Å; I18-L30 HydrophobicContact CG2-CD1 3.72Å; I18-L30 HydrophobicContact CG2-CG 4.5Å; K26-L30 WeakPolarHBondContact O-CG 3.38Å; K26-L30 PolarHBondContact O-N 2.89Å; T27-L30 PolarHBondContact O-N 3.31Å; L30-R32 VanDerWaalsContact C-N 3.26Å; L30-R32 PolarHBondContact O-N 3.38Å; L30-H33 WeakPolarHBondContact O-CB 3.49Å; L30-H33 PolarHBondContact O-N 3.35Å; L30-L34 PolarHBondContact O-N 3.33Å; L30-Y51 HydrophobicContact CB-CD2 4.27Å; L30-Y51 HydrophobicContact CB-CG 4.3Å; L30-Y51 HydrophobicContact CD1-CD2 3.75Å; L30-Y51 HydrophobicContact CD1-CE2 4.47Å; L30-Y51 HydrophobicContact CD1-CG 4.38Å; L30-L53 HydrophobicContact CD2-CD1 3.77Å; L30-C66 HydrophobicContact CD1-CB 3.71Å; L30-C66 HydrophobicContact CD2-CB 3.59Å; L30-C66 HydrophobicContact CG-CB 4.29Å; L30-D68 HydrophobicContact CD1-CB 3.75Å; L30-F164 HydrophobicContact CD2-CZ 4.03Å
31	K	94.6	Very high	92.4	Very high	63 Å²	63	52.6 Å²	52.6	27%	0.274	30%	0.299	S	S	.	.	H	α-helix	trans	-57.3	-41.6	177.5	-76.8	-176.2	168.4	-174	0	111.4	T27 H33 L34 T35 E39 Y51	T27-K31 HydrophobicContact CG2-CD 4.13Å; T27-K31 HydrophobicContact CG2-CG 4.36Å; T27-K31 WeakPolarHBondContact O-CB 3.4Å; T27-K31 WeakPolarHBondContact O-CG 3.35Å; T27-K31 PolarHBondContact O-N 2.81Å; K31-H33 VanDerWaalsContact C-N 3.35Å; K31-H33 PolarHBondContact O-N 3.28Å; K31-L34 CarbonylContact O-C 3.41Å; K31-L34 WeakPolarHBondContact O-CA 3.47Å; K31-L34 WeakPolarHBondContact O-CB 3.27Å; K31-L34 PolarHBondContact O-N 2.81Å; K31-T35 PolarHBondContact O-N 2.7Å; K31-T35 PolarHBondContact O-OG1 3.35Å; K31-T35 VanDerWaalsContact O-OG1 3.08Å; K31-E39 IonicContact NZ-OE2 2.69Å; K31-E39 PolarHBondContact NZ-OE2 3.44Å; K31-Y51 HydrophobicContact CG-CE1 3.97Å
32	R	94.3	Very high	91.7	Very high	31 Å²	31	54.2 Å²	54.2	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-31.4	177.1	-174.7	174.7	-170.9	160.3	-1.3	113.4	T28 L30 L34 G36 E37 A154 K155 N157 F160	T28-R32 WeakPolarHBondContact O-CB 3.32Å; T28-R32 PolarHBondContact O-N 3.44Å; L30-R32 VanDerWaalsContact C-N 3.26Å; L30-R32 PolarHBondContact O-N 3.38Å; R32-L34 PolarHBondContact O-N 2.92Å; R32-G36 WeakPolarHBondContact O-CA 3.36Å; R32-G36 PolarHBondContact O-N 3.21Å; R32-E37 WeakPolarHBondContact CB-O 3.35Å; R32-E37 WeakPolarHBondContact CG-O 3.36Å; R32-A154 WeakPolarHBondContact CD-O 3.46Å; R32-A154 PolarHBondContact NH1-O 2.74Å; R32-K155 PolarHBondContact NH1-O 3.48Å; R32-K155 PolarHBondContact NH2-O 3.43Å; R32-N157 PolarHBondContact NE-OD1 3.15Å; R32-N157 PolarHBondContact NH2-OD1 2.99Å; R32-F160 HydrophobicContact CB-CE2 4.38Å; R32-F160 HydrophobicContact CB-CZ 3.73Å; R32-F160 HydrophobicContact CG-CE1 4.3Å; R32-F160 HydrophobicContact CG-CE2 4.33Å; R32-F160 HydrophobicContact CG-CZ 3.63Å
33	H	94.1	Very high	91.4	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-33.9	169.4	-86.1	83.1	0	0	0	111.5	F29 L30 K31 L53 F55 F160 F164	F29-H33 AromaticContact CD2-CE1 3.74Å; F29-H33 AromaticContact CD2-ND1 3.83Å; F29-H33 AromaticContact CE2-CE1 3.17Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.35Å; F29-H33 AromaticContact CE2-ND1 3.7Å; F29-H33 AromaticContact CZ-CE1 3.52Å; F29-H33 PolarHBondContact O-N 2.88Å; F29-H33 PolarHBondContact O-ND1 3.24Å; L30-H33 WeakPolarHBondContact O-CB 3.49Å; L30-H33 PolarHBondContact O-N 3.35Å; K31-H33 VanDerWaalsContact C-N 3.35Å; K31-H33 PolarHBondContact O-N 3.28Å; H33-L53 HydrophobicContact CB-CD1 3.59Å; H33-L53 HydrophobicContact CB-CD2 3.74Å; H33-L53 HydrophobicContact CB-CG 4.31Å; H33-F55 AromaticContact CD2-CZ 3.96Å; H33-F160 HydrophobicContact CB-CE1 4.23Å; H33-F160 HydrophobicContact CB-CZ 4.38Å; H33-F160 AromaticContact CD2-CD1 3.84Å; H33-F160 AromaticContact CD2-CE1 3.61Å; H33-F160 AromaticContact CE1-CD1 3.15Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.29Å; H33-F160 AromaticContact CE1-CD2 3.5Å; H33-F160 AromaticContact CE1-CE1 3.1Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.36Å; H33-F160 AromaticContact CE1-CE2 3.44Å; H33-F160 VanDerWaalsContact CE1-CE2 3.44Å; H33-F160 WeakPolarHBondContact CE1-CE2 3.16Å; H33-F160 AromaticContact CE1-CG 3.34Å; H33-F160 WeakPolarHBondContact CE1-CG 3.47Å; H33-F160 AromaticContact CE1-CZ 3.22Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.22Å; H33-F160 PolarHBondContact CE1-O 3.4Å; H33-F160 AromaticContact CG-CE1 3.45Å; H33-F160 VanDerWaalsContact CG-CE1 3.45Å; H33-F160 AromaticContact CG-CZ 3.71Å; H33-F160 AromaticContact ND1-CD1 3.75Å; H33-F160 AromaticContact ND1-CE1 3.17Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.34Å; H33-F160 AromaticContact ND1-CE2 3.55Å; H33-F160 AromaticContact ND1-CZ 3.02Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.02Å; H33-F160 AromaticContact NE2-CD1 3.24Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.48Å; H33-F160 AromaticContact NE2-CE1 3.43Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.38Å; H33-F160 AromaticContact NE2-CG 3.71Å; H33-F160 PolarHBondContact NE2-O 3.27Å; H33-F164 AromaticContact CD2-CE2 3.86Å; H33-F164 AromaticContact CE1-CE2 3.5Å; H33-F164 AromaticContact ND1-CE2 3.82Å; H33-F164 AromaticContact NE2-CD2 3.69Å; H33-F164 AromaticContact NE2-CE2 3.48Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.21Å
34	L	92.2	Very high	91.2	Very high	96 Å²	96	60.7 Å²	60.7	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-77.8	-38.9	-178.9	-173.6	63.1	0	0	0	112.8	L30 K31 R32 Y51 L53	L30-L34 PolarHBondContact O-N 3.33Å; K31-L34 CarbonylContact O-C 3.41Å; K31-L34 WeakPolarHBondContact O-CA 3.47Å; K31-L34 WeakPolarHBondContact O-CB 3.27Å; K31-L34 PolarHBondContact O-N 2.81Å; R32-L34 PolarHBondContact O-N 2.92Å; L34-Y51 HydrophobicContact CD2-CD1 4.38Å; L34-L53 HydrophobicContact CB-CD2 3.91Å; L34-L53 HydrophobicContact CD1-CD2 4.3Å
35	T	90.7	Very high	90.7	Very high	86 Å²	86	61.5 Å²	61.5	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-112.8	-16.2	-170.3	68.4	0	0	0	0	114.4	K31 E37	K31-T35 PolarHBondContact O-N 2.7Å; K31-T35 PolarHBondContact O-OG1 3.35Å; K31-T35 VanDerWaalsContact O-OG1 3.08Å; T35-E37 PolarHBondContact O-N 3.3Å; T35-E37 VanDerWaalsContact O-N 3.17Å; T35-E37 PolarHBondContact OG1-N 3.37Å; T35-E37 VanDerWaalsContact OG1-N 3.15Å
36	G	89.8	Confident	90.2	Very high	51 Å²	51	66.5 Å²	66.5	53%	0.526	35%	0.349	S	S	.	.	S	Bend	trans	74.9	-14.9	-168.8	0	0	0	0	0	114.5	R32	R32-G36 WeakPolarHBondContact O-CA 3.36Å; R32-G36 PolarHBondContact O-N 3.21Å
37	E	89.7	Confident	89.7	Confident	149 Å²	149	66.9 Å²	66.9	70%	0.696	36%	0.356	S	S	*	.			trans	-92.3	147.7	-174.3	-62.6	-166.5	164.3	0	0	113.3	R32 T35	R32-E37 WeakPolarHBondContact CB-O 3.35Å; R32-E37 WeakPolarHBondContact CG-O 3.36Å; T35-E37 PolarHBondContact O-N 3.3Å; T35-E37 VanDerWaalsContact O-N 3.17Å; T35-E37 PolarHBondContact OG1-N 3.37Å; T35-E37 VanDerWaalsContact OG1-N 3.15Å
38	F	88.3	Confident	89.5	Confident	64 Å²	64	67.8 Å²	67.8	28%	0.281	36%	0.361	S	S	.	.			trans	-99.6	112.9	174.9	-173.5	-101.2	0	0	0	111.3	T28 H40 A154 K155	T28-F38 HydrophobicContact CG2-CD2 3.81Å; T28-F38 HydrophobicContact CG2-CE2 3.48Å; T28-F38 VanDerWaalsContact CG2-CE2 3.48Å; T28-F38 HydrophobicContact CG2-CZ 4.24Å; F38-H40 AromaticContact CD1-CE1 3.88Å; F38-H40 AromaticContact CD1-NE2 3.99Å; F38-H40 AromaticContact CE1-CE1 3.84Å; F38-H40 AromaticContact CE1-ND1 3.64Å; F38-A154 WeakPolarHBondContact CD2-O 3.5Å; F38-K155 HydrophobicContact CD1-CG 4.37Å; F38-K155 HydrophobicContact CD2-CB 4.32Å; F38-K155 HydrophobicContact CD2-CG 4.45Å; F38-K155 HydrophobicContact CE1-CG 4.17Å; F38-K155 HydrophobicContact CE2-CB 3.91Å; F38-K155 HydrophobicContact CE2-CG 4.23Å; F38-K155 HydrophobicContact CZ-CB 4.11Å; F38-K155 HydrophobicContact CZ-CG 4.09Å
39	E	87.4	Confident	89.4	Confident	93 Å²	93	70.3 Å²	70.3	44%	0.435	37%	0.374	S	S	.	.			trans	-87	115.6	174.9	-167.2	173.6	-161.7	0	0	110.3	K31 N41	K31-E39 IonicContact NZ-OE2 2.69Å; K31-E39 PolarHBondContact NZ-OE2 3.44Å; E39-N41 WeakPolarHBondContact CG-O 3.3Å
40	H	83.8	Confident	89.3	Confident	146 Å²	146	74.3 Å²	74.3	68%	0.676	39%	0.394	S	S	*	.	S	Bend	trans	-69.8	-35.1	-178.7	-75.7	-82.1	0	0	0	113.4	F38	F38-H40 AromaticContact CD1-CE1 3.88Å; F38-H40 AromaticContact CD1-NE2 3.99Å; F38-H40 AromaticContact CE1-CE1 3.84Å; F38-H40 AromaticContact CE1-ND1 3.64Å
41	N	83.3	Confident	89.4	Confident	134 Å²	134	75.9 Å²	75.9	72%	0.717	40%	0.401	S	S	*	.			trans	-110.5	103.3	-176.8	-63.9	-32	0	0	0	108.4	E39	E39-N41 WeakPolarHBondContact CG-O 3.3Å
42	T	81.4	Confident	89.5	Confident	46 Å²	46	75.5 Å²	75.5	28%	0.282	41%	0.405	S	S	.	.			trans	-108.9	118.5	176.3	-51.3	0	0	0	0	109.4	T27 T28	T27-T42 HydrophobicContact CG2-CG2 3.99Å; T28-T42 PolarHBondContact OG1-OG1 3.19Å; T28-T42 VanDerWaalsContact OG1-OG1 3.12Å
43	E	87	Confident	89.6	Confident	159 Å²	159	74.3 Å²	74.3	74%	0.743	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-64.3	146.3	172.3	-69.6	-58.1	137.4	0	0	111.1	T45	E43-T45 PolarHBondContact O-N 3.28Å
44	P	88.5	Confident	89.7	Confident	70 Å²	70	75.2 Å²	75.2	46%	0.455	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61	124.1	177.4	-21.8	32.8	0	0	0	112.1	L46	P44-L46 PolarHBondContact O-N 3.18Å
45	T	84.5	Confident	89.9	Confident	17 Å²	17	71.3 Å²	71.3	10%	0.104	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-55.4	129.6	172.7	-44	0	0	0	0	111	T27 E43 D68 A70	T27-T45 PolarHBondContact OG1-OG1 3.13Å; E43-T45 PolarHBondContact O-N 3.28Å; T45-D68 PolarHBondContact OG1-OD2 2.84Å; T45-A70 WeakPolarHBondContact O-CB 2.99Å
46	L	84.6	Confident	90.1	Very high	115 Å²	115	69.5 Å²	69.5	60%	0.602	37%	0.371	S	S	*	.			trans	-104.1	114.4	176.7	-57.1	-178.2	0	0	0	108.7	P44 V48 Y75	P44-L46 PolarHBondContact O-N 3.18Å; L46-V48 PolarHBondContact O-N 2.88Å; L46-Y75 HydrophobicContact CD2-CD2 4.34Å; L46-Y75 HydrophobicContact CD2-CE1 4.12Å; L46-Y75 HydrophobicContact CD2-CE2 3.53Å; L46-Y75 VanDerWaalsContact CD2-OH 3.29Å; L46-Y75 WeakPolarHBondContact CD2-OH 3.01Å
47	G	85.8	Confident	90.4	Very high	17 Å²	17	67.5 Å²	67.5	18%	0.175	35%	0.348	C	S	.	.	S	Bend	trans	72.5	-110.5	-176.6	0	0	0	0	0	112.6	A70	G47-A70 WeakPolarHBondContact O-CB 3.46Å; G47-A70 PolarHBondContact O-N 2.87Å
48	V	90.7	Very high	90.6	Very high	33 Å²	33	63.3 Å²	63.3	20%	0.2	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.7	-179.5	67.3	0	0	0	0	111.4	L46 W67 D68 T69 Y82	L46-V48 PolarHBondContact O-N 2.88Å; V48-W67 HydrophobicContact CG1-CE3 4.49Å; V48-W67 HydrophobicContact CG2-CB 4.07Å; V48-W67 HydrophobicContact CG2-CD2 4.46Å; V48-W67 HydrophobicContact CG2-CE3 3.91Å; V48-D68 VanDerWaalsContact CA-O 3.24Å; V48-D68 WeakPolarHBondContact CA-O 3.36Å; V48-D68 WeakPolarHBondContact CG2-O 3.37Å; V48-T69 HydrophobicContact CG2-CG2 4.21Å; V48-Y82 HydrophobicContact CB-CD1 4.15Å; V48-Y82 HydrophobicContact CB-CD2 4.15Å; V48-Y82 HydrophobicContact CB-CE1 4.18Å; V48-Y82 HydrophobicContact CB-CE2 4.19Å; V48-Y82 HydrophobicContact CB-CG 4.13Å; V48-Y82 HydrophobicContact CG1-CD1 3.5Å; V48-Y82 VanDerWaalsContact CG1-CD1 3.5Å; V48-Y82 HydrophobicContact CG1-CD2 4.31Å; V48-Y82 HydrophobicContact CG1-CE1 3.32Å; V48-Y82 HydrophobicContact CG1-CE2 4.18Å; V48-Y82 HydrophobicContact CG1-CG 4Å
49	D	93.3	Very high	90.9	Very high	71 Å²	71	67.6 Å²	67.6	38%	0.38	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.9	167.2	-69.7	-44.9	0	0	0	109.6	Y51 D68	D49-Y51 HydrophobicContact CB-CD2 4.26Å; D49-Y51 HydrophobicContact CB-CE2 3.46Å; D49-Y51 VanDerWaalsContact CB-CE2 3.46Å; D49-D68 PolarHBondContact N-O 2.81Å; D49-D68 PolarHBondContact O-N 2.88Å
50	I	95.6	Very high	91.1	Very high	83 Å²	83	65 Å²	65	43%	0.426	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.3	179.8	-56.1	173.4	0	0	0	109.2	E65 C66 W67	I50-E65 HydrophobicContact CG2-CB 4.32Å; I50-C66 WeakPolarHBondContact CA-O 3.47Å; I50-W67 HydrophobicContact CD1-CD2 4.14Å; I50-W67 HydrophobicContact CD1-CH2 4.05Å; I50-W67 HydrophobicContact CD1-CZ2 3.6Å; I50-W67 HydrophobicContact CG1-CD2 4.07Å; I50-W67 HydrophobicContact CG1-CG 4.27Å; I50-W67 HydrophobicContact CG1-CZ2 4.42Å
51	Y	97	Very high	91.7	Very high	34 Å²	34	61.8 Å²	61.8	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.2	179.2	-61.1	-86.1	0	0	0	110	L30 K31 L34 D49 L53 C66 D68	L30-Y51 HydrophobicContact CB-CD2 4.27Å; L30-Y51 HydrophobicContact CB-CG 4.3Å; L30-Y51 HydrophobicContact CD1-CD2 3.75Å; L30-Y51 HydrophobicContact CD1-CE2 4.47Å; L30-Y51 HydrophobicContact CD1-CG 4.38Å; K31-Y51 HydrophobicContact CG-CE1 3.97Å; L34-Y51 HydrophobicContact CD2-CD1 4.38Å; D49-Y51 HydrophobicContact CB-CD2 4.26Å; D49-Y51 HydrophobicContact CB-CE2 3.46Å; D49-Y51 VanDerWaalsContact CB-CE2 3.46Å; Y51-L53 PolarHBondContact O-N 3.16Å; Y51-C66 PolarHBondContact N-O 2.91Å; Y51-C66 VanDerWaalsContact O-CB 3.28Å; Y51-C66 WeakPolarHBondContact O-CB 3.43Å; Y51-C66 PolarHBondContact O-N 3.47Å; Y51-D68 HydrophobicContact CD2-CB 3.86Å; Y51-D68 HydrophobicContact CE2-CB 3.65Å
52	P	97.4	Very high	92.3	Very high	55 Å²	55	56.2 Å²	56.2	36%	0.357	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.2	173.6	29.6	-32	0	0	0	109.9	R63	P52-R63 HydrophobicContact CB-CG 4.34Å
53	L	97.3	Very high	93.1	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.8	175	-63.4	-176.9	0	0	0	109.9	L30 H33 L34 Y51 F55 R63 F64 F164	L30-L53 HydrophobicContact CD2-CD1 3.77Å; H33-L53 HydrophobicContact CB-CD1 3.59Å; H33-L53 HydrophobicContact CB-CD2 3.74Å; H33-L53 HydrophobicContact CB-CG 4.31Å; L34-L53 HydrophobicContact CB-CD2 3.91Å; L34-L53 HydrophobicContact CD1-CD2 4.3Å; Y51-L53 PolarHBondContact O-N 3.16Å; L53-F55 HydrophobicContact CB-CE2 3.7Å; L53-F55 HydrophobicContact CB-CZ 4.31Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.4Å; L53-F64 PolarHBondContact N-O 2.99Å; L53-F64 PolarHBondContact O-N 2.96Å; L53-F164 HydrophobicContact CD1-CE1 3.99Å; L53-F164 HydrophobicContact CD1-CE2 4.37Å; L53-F164 HydrophobicContact CD1-CZ 3.62Å
54	D	95.7	Very high	93.6	Very high	56 Å²	56	49.8 Å²	49.8	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.1	178.9	-74.2	-12.8	0	0	0	110.6	K61 I62 R63	D54-K61 VanDerWaalsContact CB-CE 3.42Å; D54-K61 WeakPolarHBondContact OD2-CE 3.38Å; D54-K61 IonicContact OD2-NZ 3.42Å; D54-K61 PolarHBondContact OD2-NZ 3.35Å; D54-I62 WeakPolarHBondContact CA-O 3.2Å; D54-R63 VanDerWaalsContact CG-NH2 3.34Å; D54-R63 IonicContact OD1-CZ 3.24Å; D54-R63 VanDerWaalsContact OD1-CZ 3.26Å; D54-R63 IonicContact OD1-NE 3.52Å; D54-R63 PolarHBondContact OD1-NE 2.91Å; D54-R63 IonicContact OD1-NH2 3.75Å; D54-R63 PolarHBondContact OD1-NH2 2.88Å; D54-R63 IonicContact OD2-CZ 2.88Å; D54-R63 IonicContact OD2-NH2 3.81Å; D54-R63 PolarHBondContact OD2-NH2 3.08Å
55	F	96	Very high	94.1	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.1	174.1	-64.4	-90.2	0	0	0	109.4	H33 L53 I62 F64 F164 F179	H33-F55 AromaticContact CD2-CZ 3.96Å; L53-F55 HydrophobicContact CB-CE2 3.7Å; L53-F55 HydrophobicContact CB-CZ 4.31Å; F55-I62 HydrophobicContact CB-CG1 4.06Å; F55-I62 PolarHBondContact N-O 2.96Å; F55-I62 PolarHBondContact O-N 3Å; F55-F64 AromaticContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CE2 4.33Å; F55-F64 AromaticContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CE2 4.46Å; F55-F164 HydrophobicContact CE1-CB 4.23Å; F55-F164 HydrophobicContact CE1-CD2 4.39Å; F55-F164 HydrophobicContact CE1-CG 4.32Å; F55-F164 HydrophobicContact CE2-CB 4.23Å; F55-F164 AromaticContact CE2-CD1 3.89Å; F55-F164 HydrophobicContact CE2-CD1 3.89Å; F55-F164 HydrophobicContact CE2-CE1 4.35Å; F55-F164 AromaticContact CE2-CG 3.99Å; F55-F164 HydrophobicContact CE2-CG 3.99Å; F55-F164 HydrophobicContact CZ-CB 3.87Å; F55-F164 AromaticContact CZ-CD1 3.91Å; F55-F164 HydrophobicContact CZ-CD1 3.91Å; F55-F164 AromaticContact CZ-CD2 3.74Å; F55-F164 HydrophobicContact CZ-CD2 3.74Å; F55-F164 HydrophobicContact CZ-CE1 4.35Å; F55-F164 HydrophobicContact CZ-CE2 4.19Å; F55-F164 AromaticContact CZ-CG 3.57Å; F55-F164 HydrophobicContact CZ-CG 3.57Å; F55-F164 HydrophobicContact CZ-CZ 4.49Å; F55-F179 HydrophobicContact CB-CD1 4.11Å; F55-F179 HydrophobicContact CB-CE1 3.79Å; F55-F179 HydrophobicContact CB-CE2 4.45Å; F55-F179 HydrophobicContact CB-CZ 3.97Å; F55-F179 AromaticContact CD1-CD2 3.74Å; F55-F179 HydrophobicContact CD1-CD2 3.74Å; F55-F179 HydrophobicContact CD1-CE1 4.2Å; F55-F179 AromaticContact CD1-CE2 3.32Å; F55-F179 HydrophobicContact CD1-CE2 3.32Å; F55-F179 HydrophobicContact CD1-CG 4.33Å; F55-F179 AromaticContact CD1-CZ 3.58Å; F55-F179 HydrophobicContact CD1-CZ 3.58Å; F55-F179 HydrophobicContact CD2-CZ 4.41Å; F55-F179 HydrophobicContact CE1-CD2 4.3Å; F55-F179 AromaticContact CE1-CE2 3.69Å; F55-F179 HydrophobicContact CE1-CE2 3.69Å; F55-F179 HydrophobicContact CE1-CZ 4.16Å; F55-F179 HydrophobicContact CG-CE1 4.09Å; F55-F179 AromaticContact CG-CE2 3.98Å; F55-F179 HydrophobicContact CG-CE2 3.98Å; F55-F179 AromaticContact CG-CZ 3.72Å; F55-F179 HydrophobicContact CG-CZ 3.72Å
56	F	94.9	Very high	94.8	Very high	49 Å²	49	49.3 Å²	49.3	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.3	170.8	-68.4	-89.4	0	0	0	109.1	K61 F179 V180 S182 P183	F56-K61 HydrophobicContact CD1-CB 4.16Å; F56-K61 HydrophobicContact CD1-CD 4.48Å; F56-K61 HydrophobicContact CD1-CG 4.15Å; F56-K61 HydrophobicContact CE1-CB 4.21Å; F56-K61 HydrophobicContact CE1-CD 3.84Å; F56-K61 HydrophobicContact CE1-CG 4Å; F56-K61 HydrophobicContact CZ-CD 3.92Å; F56-K61 HydrophobicContact CZ-CG 4.34Å; F56-F179 CarbonylContact O-C 3.59Å; F56-F179 VanDerWaalsContact O-CA 3.26Å; F56-F179 WeakPolarHBondContact O-CA 3.45Å; F56-V180 HydrophobicContact CB-CG2 4.03Å; F56-V180 PolarHBondContact O-N 3.02Å; F56-S182 VanDerWaalsContact CD2-CB 3.43Å; F56-P183 VanDerWaalsContact CD1-CD 3.4Å; F56-P183 HydrophobicContact CD1-CG 4.19Å; F56-P183 HydrophobicContact CE1-CG 3.98Å
57	T	95.6	Very high	95.4	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.1	-179.9	83.5	0	0	0	0	110.3	R59 G60 I62 L177 S178 F179	T57-R59 PolarHBondContact O-N 3.5Å; T57-R59 WeakPolarHBondContact OG1-CA 3.39Å; T57-R59 PolarHBondContact OG1-N 3.41Å; T57-G60 WeakPolarHBondContact CB-O 3.41Å; T57-G60 PolarHBondContact N-O 3.07Å; T57-G60 VanDerWaalsContact N-O 3.07Å; T57-G60 PolarHBondContact O-N 2.9Å; T57-G60 PolarHBondContact OG1-N 2.66Å; T57-G60 PolarHBondContact OG1-O 3.38Å; T57-I62 HydrophobicContact CG2-CD1 3.96Å; T57-I62 HydrophobicContact CG2-CG1 3.91Å; T57-I62 HydrophobicContact CG2-CG2 4.39Å; T57-L177 HydrophobicContact CG2-CD2 4.16Å; T57-L177 HydrophobicContact CG2-CG 4.47Å; T57-S178 WeakPolarHBondContact CA-O 2.98Å; T57-S178 WeakPolarHBondContact CB-O 3.29Å; T57-F179 HydrophobicContact CG2-CD1 3.94Å; T57-F179 HydrophobicContact CG2-CE1 4.16Å
58	N	95.2	Very high	95.8	Very high	61 Å²	61	45.4 Å²	45.4	33%	0.326	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	3.3	168	66.9	-27.3	0	0	0	114.5	K176 L177 S178 V180	N58-K176 PolarHBondContact ND2-O 3.08Å; N58-K176 VanDerWaalsContact ND2-O 3.08Å; N58-L177 WeakPolarHBondContact OD1-CA 3.4Å; N58-S178 PolarHBondContact N-O 3.33Å; N58-S178 VanDerWaalsContact N-O 3.1Å; N58-S178 PolarHBondContact OD1-N 2.94Å; N58-S178 PolarHBondContact OD1-O 3.37Å; N58-V180 HydrophobicContact CB-CG1 4.27Å
59	R	93.7	Very high	95.7	Very high	154 Å²	154	43.9 Å²	43.9	58%	0.581	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.5	11.6	174.4	-55.7	-61.4	-179	-135.7	2.6	112.7	T57 D174	T57-R59 PolarHBondContact O-N 3.5Å; T57-R59 WeakPolarHBondContact OG1-CA 3.39Å; T57-R59 PolarHBondContact OG1-N 3.41Å; R59-D174 IonicContact CZ-OD2 2.65Å; R59-D174 IonicContact NE-OD2 3.18Å; R59-D174 PolarHBondContact NE-OD2 2.99Å; R59-D174 IonicContact NH2-OD2 3.93Å; R59-D174 PolarHBondContact NH2-OD2 2.9Å
60	G	92.9	Very high	95.4	Very high	39 Å²	39	40.7 Å²	40.7	40%	0.402	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.2	179.1	-174	0	0	0	0	0	112.9	T57	T57-G60 WeakPolarHBondContact CB-O 3.41Å; T57-G60 PolarHBondContact N-O 3.07Å; T57-G60 VanDerWaalsContact N-O 3.07Å; T57-G60 PolarHBondContact O-N 2.9Å; T57-G60 PolarHBondContact OG1-N 2.66Å; T57-G60 PolarHBondContact OG1-O 3.38Å
61	K	94.9	Very high	94.5	Very high	79 Å²	79	37.3 Å²	37.3	34%	0.343	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.5	-178.4	-166	-179.7	178.7	177.6	0	110.5	L11 D54 F56	L11-K61 HydrophobicContact CD1-CB 3.82Å; L11-K61 HydrophobicContact CD1-CD 4.03Å; L11-K61 HydrophobicContact CD1-CG 3.72Å; L11-K61 VanDerWaalsContact CD1-O 3.3Å; L11-K61 WeakPolarHBondContact CD1-O 3.39Å; D54-K61 VanDerWaalsContact CB-CE 3.42Å; D54-K61 WeakPolarHBondContact OD2-CE 3.38Å; D54-K61 IonicContact OD2-NZ 3.42Å; D54-K61 PolarHBondContact OD2-NZ 3.35Å; F56-K61 HydrophobicContact CD1-CB 4.16Å; F56-K61 HydrophobicContact CD1-CD 4.48Å; F56-K61 HydrophobicContact CD1-CG 4.15Å; F56-K61 HydrophobicContact CE1-CB 4.21Å; F56-K61 HydrophobicContact CE1-CD 3.84Å; F56-K61 HydrophobicContact CE1-CG 4Å; F56-K61 HydrophobicContact CZ-CD 3.92Å; F56-K61 HydrophobicContact CZ-CG 4.34Å
62	I	96.8	Very high	93.5	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.082	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.5	170.5	65.9	173.3	0	0	0	109.9	P12 F14 D54 F55 T57 F64 A168 F179	P12-I62 HydrophobicContact CB-CG2 4.38Å; P12-I62 WeakPolarHBondContact O-CA 3.3Å; F14-I62 HydrophobicContact CE2-CB 4.11Å; F14-I62 HydrophobicContact CE2-CG2 4.2Å; D54-I62 WeakPolarHBondContact CA-O 3.2Å; F55-I62 HydrophobicContact CB-CG1 4.06Å; F55-I62 PolarHBondContact N-O 2.96Å; F55-I62 PolarHBondContact O-N 3Å; T57-I62 HydrophobicContact CG2-CD1 3.96Å; T57-I62 HydrophobicContact CG2-CG1 3.91Å; T57-I62 HydrophobicContact CG2-CG2 4.39Å; I62-F64 HydrophobicContact CD1-CE2 4.23Å; I62-A168 HydrophobicContact CD1-CB 3.75Å; I62-F179 HydrophobicContact CD1-CE1 4.41Å
63	R	97.9	Very high	92.1	Very high	71 Å²	71	41.5 Å²	41.5	27%	0.268	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.1	174.5	176.5	170.2	-71.6	173.9	1.1	111.2	L11 P12 T13 F14 P52 L53 D54	L11-R63 HydrophobicContact CD2-CB 3.88Å; L11-R63 HydrophobicContact CG-CB 4.13Å; P12-R63 PolarHBondContact O-N 2.95Å; T13-R63 CarbonylContact C-O 3.55Å; T13-R63 WeakPolarHBondContact CA-O 3.39Å; T13-R63 HydrophobicContact CG2-CB 4.25Å; T13-R63 HydrophobicContact CG2-CG 4.05Å; F14-R63 PolarHBondContact N-O 3.3Å; P52-R63 HydrophobicContact CB-CG 4.34Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.4Å; D54-R63 VanDerWaalsContact CG-NH2 3.34Å; D54-R63 IonicContact OD1-CZ 3.24Å; D54-R63 VanDerWaalsContact OD1-CZ 3.26Å; D54-R63 IonicContact OD1-NE 3.52Å; D54-R63 PolarHBondContact OD1-NE 2.91Å; D54-R63 IonicContact OD1-NH2 3.75Å; D54-R63 PolarHBondContact OD1-NH2 2.88Å; D54-R63 IonicContact OD2-CZ 2.88Å; D54-R63 IonicContact OD2-NH2 3.81Å; D54-R63 PolarHBondContact OD2-NH2 3.08Å
64	F	98.6	Very high	90.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116	159.1	-72.4	-68.6	0	0	0	109.2	F14 L16 L53 F55 I62 C66 F164 L167 A168 I171	F14-F64 HydrophobicContact CB-CD1 3.78Å; F14-F64 HydrophobicContact CB-CE1 3.89Å; F14-F64 HydrophobicContact CD2-CE1 4.31Å; F14-F64 HydrophobicContact CG-CE1 4.41Å; F14-F64 CarbonylContact O-C 3.56Å; F14-F64 WeakPolarHBondContact O-CA 3.49Å; L16-F64 HydrophobicContact CB-CB 4.23Å; L16-F64 HydrophobicContact CB-CD1 3.93Å; L16-F64 HydrophobicContact CB-CG 4.41Å; L16-F64 HydrophobicContact CD1-CB 4.3Å; L16-F64 HydrophobicContact CD1-CD1 3.79Å; L16-F64 HydrophobicContact CD1-CE1 4.23Å; L16-F64 HydrophobicContact CD1-CG 3.97Å; L53-F64 PolarHBondContact N-O 2.99Å; L53-F64 PolarHBondContact O-N 2.96Å; F55-F64 AromaticContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CD2 3.8Å; F55-F64 HydrophobicContact CD2-CE2 4.33Å; F55-F64 AromaticContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CE2 4.46Å; I62-F64 HydrophobicContact CD1-CE2 4.23Å; F64-C66 PolarHBondContact O-N 3.41Å; F64-F164 HydrophobicContact CD2-CB 4.46Å; F64-F164 AromaticContact CD2-CD1 3.64Å; F64-F164 HydrophobicContact CD2-CD1 3.64Å; F64-F164 HydrophobicContact CD2-CE1 4.39Å; F64-F164 HydrophobicContact CD2-CG 4.49Å; F64-F164 HydrophobicContact CE2-CB 4.13Å; F64-F164 HydrophobicContact CE2-CD1 4.02Å; F64-F164 HydrophobicContact CG-CD1 4.2Å; F64-L167 HydrophobicContact CZ-CB 4.2Å; F64-A168 HydrophobicContact CE2-CB 4.29Å; F64-A168 HydrophobicContact CZ-CB 4.02Å; F64-I171 HydrophobicContact CE1-CD1 3.88Å; F64-I171 HydrophobicContact CZ-CD1 4.49Å
65	E	98.1	Very high	89.5	Confident	77 Å²	77	49.1 Å²	49.1	36%	0.36	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	99.6	162.6	-80.5	-175.3	161.5	0	0	107.7	T13 F14 L16 I50 W67	T13-E65 HydrophobicContact CG2-CB 4.32Å; T13-E65 HydrophobicContact CG2-CG 3.56Å; F14-E65 PolarHBondContact O-N 3.41Å; L16-E65 PolarHBondContact N-O 2.79Å; I50-E65 HydrophobicContact CG2-CB 4.32Å; E65-W67 PolarHBondContact O-N 3.38Å
66	C	98.3	Very high	87.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.1	-175.2	-58.6	0	0	0	0	109.9	L16 L30 I50 Y51 F64 D68	L16-C66 HydrophobicContact CD2-CB 4.38Å; L16-C66 CarbonylContact O-C 3.55Å; L16-C66 WeakPolarHBondContact O-CA 3.5Å; L30-C66 HydrophobicContact CD1-CB 3.71Å; L30-C66 HydrophobicContact CD2-CB 3.59Å; L30-C66 HydrophobicContact CG-CB 4.29Å; I50-C66 WeakPolarHBondContact CA-O 3.47Å; Y51-C66 PolarHBondContact N-O 2.91Å; Y51-C66 VanDerWaalsContact O-CB 3.28Å; Y51-C66 WeakPolarHBondContact O-CB 3.43Å; Y51-C66 PolarHBondContact O-N 3.47Å; F64-C66 PolarHBondContact O-N 3.41Å; C66-D68 PolarHBondContact O-N 3.17Å
67	W	97	Very high	86.6	Confident	49 Å²	49	52 Å²	52	19%	0.186	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	96.5	176	-72.3	53	0	0	0	108.6	K15 L16 L17 I18 V48 I50 E65 T69 Y82	K15-W67 HydrophobicContact CD-CD2 4.37Å; K15-W67 HydrophobicContact CD-CZ2 4.26Å; K15-W67 VanDerWaalsContact CE-CD2 3.47Å; K15-W67 VanDerWaalsContact CE-CE2 3.42Å; K15-W67 HydrophobicContact CG-CG 4.33Å; L16-W67 PolarHBondContact O-N 3.05Å; L17-W67 HydrophobicContact CD2-CB 3.98Å; L17-W67 HydrophobicContact CD2-CG 4.4Å; I18-W67 PolarHBondContact N-O 2.82Å; I18-W67 VanDerWaalsContact N-O 3.1Å; V48-W67 HydrophobicContact CG1-CE3 4.49Å; V48-W67 HydrophobicContact CG2-CB 4.07Å; V48-W67 HydrophobicContact CG2-CD2 4.46Å; V48-W67 HydrophobicContact CG2-CE3 3.91Å; I50-W67 HydrophobicContact CD1-CD2 4.14Å; I50-W67 HydrophobicContact CD1-CH2 4.05Å; I50-W67 HydrophobicContact CD1-CZ2 3.6Å; I50-W67 HydrophobicContact CG1-CD2 4.07Å; I50-W67 HydrophobicContact CG1-CG 4.27Å; I50-W67 HydrophobicContact CG1-CZ2 4.42Å; E65-W67 PolarHBondContact O-N 3.38Å; W67-T69 PolarHBondContact O-N 3.47Å; W67-Y82 HydrophobicContact CZ3-CD1 4.14Å
68	D	94.7	Very high	85.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.3	177.1	-171.8	28.4	0	0	0	111	I18 K26 T27 L30 T45 V48 D49 Y51 C66	I18-D68 HydrophobicContact CG2-CB 4.12Å; K26-D68 WeakPolarHBondContact CB-OD1 3.29Å; T27-D68 WeakPolarHBondContact CA-OD2 3.29Å; T27-D68 WeakPolarHBondContact CB-OD2 3.37Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.41Å; T27-D68 PolarHBondContact OG1-OD2 3.16Å; L30-D68 HydrophobicContact CD1-CB 3.75Å; T45-D68 PolarHBondContact OG1-OD2 2.84Å; V48-D68 VanDerWaalsContact CA-O 3.24Å; V48-D68 WeakPolarHBondContact CA-O 3.36Å; V48-D68 WeakPolarHBondContact CG2-O 3.37Å; D49-D68 PolarHBondContact N-O 2.81Å; D49-D68 PolarHBondContact O-N 2.88Å; Y51-D68 HydrophobicContact CD2-CB 3.86Å; Y51-D68 HydrophobicContact CE2-CB 3.65Å; C66-D68 PolarHBondContact O-N 3.17Å
69	T	89.3	Confident	84.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.2	-174.1	62.7	0	0	0	0	112.6	I18 K26 V48 W67 G71 Y83	I18-T69 PolarHBondContact O-N 3.07Å; I18-T69 PolarHBondContact O-OG1 2.99Å; K26-T69 WeakPolarHBondContact CE-O 3.38Å; V48-T69 HydrophobicContact CG2-CG2 4.21Å; W67-T69 PolarHBondContact O-N 3.47Å; T69-G71 PolarHBondContact O-N 3.38Å; T69-Y83 HydrophobicContact CG2-CE1 4.18Å
70	A	86.1	Confident	84.3	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.033	27%	0.266	C	S	.	.			trans	-56.5	122.9	172.6	0	0	0	0	0	111.2	T45 G47 Q72 Y75	T45-A70 WeakPolarHBondContact O-CB 2.99Å; G47-A70 WeakPolarHBondContact O-CB 3.46Å; G47-A70 PolarHBondContact O-N 2.87Å; A70-Q72 VanDerWaalsContact C-N 3.28Å; A70-Q72 PolarHBondContact O-N 3.1Å; A70-Y75 HydrophobicContact CB-CD2 4.12Å; A70-Y75 HydrophobicContact CB-CG 4.43Å
71	G	77.9	Confident	84.1	Confident	12 Å²	12	50.5 Å²	50.5	12%	0.124	27%	0.269	C	S	.	.			trans	-81	-2.6	179.7	0	0	0	0	0	114.8	G20 G22 T69	G20-G71 WeakPolarHBondContact O-CA 3.44Å; G22-G71 PolarHBondContact N-O 3.04Å; G22-G71 VanDerWaalsContact N-O 3.11Å; T69-G71 PolarHBondContact O-N 3.38Å
72	Q	76.4	Confident	83.9	Confident	66 Å²	66	49.2 Å²	49.2	31%	0.308	26%	0.262	S	S	.	.	S	Bend	trans	-94.8	137	-176.9	-58.2	-161.5	22.4	0	0	112.3	A70 K74 Y75	A70-Q72 VanDerWaalsContact C-N 3.28Å; A70-Q72 PolarHBondContact O-N 3.1Å; Q72-K74 VanDerWaalsContact C-N 3.28Å; Q72-K74 HydrophobicContact CB-CG 4.16Å; Q72-K74 PolarHBondContact O-N 2.74Å; Q72-Y75 HydrophobicContact CB-CD2 3.86Å; Q72-Y75 HydrophobicContact CB-CE2 4.22Å; Q72-Y75 PolarHBondContact O-N 2.88Å; Q72-Y75 VanDerWaalsContact O-N 3.15Å
73	E	68.1	Low	83.8	Confident	111 Å²	111	48.4 Å²	48.4	52%	0.519	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-47.2	-46.8	175.1	-66.8	-83.3	173.3	0	0	113.1	Y75 S76 R106	E73-Y75 PolarHBondContact O-N 3.44Å; E73-S76 WeakPolarHBondContact O-CB 3.09Å; E73-S76 PolarHBondContact O-N 3.37Å; E73-S76 PolarHBondContact O-OG 2.91Å; E73-R106 IonicContact OE1-CZ 2.67Å; E73-R106 IonicContact OE1-NH1 3Å; E73-R106 PolarHBondContact OE1-NH1 2.83Å; E73-R106 IonicContact OE1-NH2 3.26Å; E73-R106 IonicContact OE2-CZ 3.85Å; E73-R106 IonicContact OE2-NH1 2.88Å; E73-R106 PolarHBondContact OE2-NH1 3.03Å; E73-R106 VanDerWaalsContact OE2-NH1 3.15Å; E73-R106 IonicContact OE2-NH2 3.88Å; E73-R106 PolarHBondContact OE2-NH2 3.22Å
74	K	70.2	Confident	83.6	Confident	143 Å²	143	49 Å²	49	62%	0.622	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-62.2	-17.3	-175.4	58.6	166.2	166.7	165.7	0	114.4	Q72	Q72-K74 VanDerWaalsContact C-N 3.28Å; Q72-K74 HydrophobicContact CB-CG 4.16Å; Q72-K74 PolarHBondContact O-N 2.74Å
75	Y	66.1	Low	83.4	Confident	77 Å²	77	56.7 Å²	56.7	30%	0.302	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-104.4	16.6	177.8	-52.9	-52.8	0	0	0	112.4	L46 A70 Q72 E73 G77	L46-Y75 HydrophobicContact CD2-CD2 4.34Å; L46-Y75 HydrophobicContact CD2-CE1 4.12Å; L46-Y75 HydrophobicContact CD2-CE2 3.53Å; L46-Y75 VanDerWaalsContact CD2-OH 3.29Å; L46-Y75 WeakPolarHBondContact CD2-OH 3.01Å; A70-Y75 HydrophobicContact CB-CD2 4.12Å; A70-Y75 HydrophobicContact CB-CG 4.43Å; Q72-Y75 HydrophobicContact CB-CD2 3.86Å; Q72-Y75 HydrophobicContact CB-CE2 4.22Å; Q72-Y75 PolarHBondContact O-N 2.88Å; Q72-Y75 VanDerWaalsContact O-N 3.15Å; E73-Y75 PolarHBondContact O-N 3.44Å; Y75-G77 PolarHBondContact O-N 3.3Å
76	S	63.3	Low	83.3	Confident	45 Å²	45	53.4 Å²	53.4	32%	0.315	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-78.8	-12.7	-172.3	62.1	0	0	0	0	116.2	E73 L78 K79	E73-S76 WeakPolarHBondContact O-CB 3.09Å; E73-S76 PolarHBondContact O-N 3.37Å; E73-S76 PolarHBondContact O-OG 2.91Å; S76-L78 PolarHBondContact O-N 3.3Å; S76-K79 WeakPolarHBondContact O-CB 3.46Å; S76-K79 WeakPolarHBondContact O-CG 3.5Å; S76-K79 PolarHBondContact O-N 3.08Å; S76-K79 VanDerWaalsContact O-N 3.09Å
77	G	68.1	Low	83.3	Confident	77 Å²	77	57.4 Å²	57.4	79%	0.794	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-57.7	-24.8	-169.8	0	0	0	0	0	115.6	Y75	Y75-G77 PolarHBondContact O-N 3.3Å
78	L	71.6	Confident	83.4	Confident	108 Å²	108	55 Å²	55	57%	0.565	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-114.4	11.6	-178.6	-66.4	172.6	0	0	0	114.1	S76 D80 A81 Y82	S76-L78 PolarHBondContact O-N 3.3Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.46Å; L78-A81 WeakPolarHBondContact O-CB 3.38Å; L78-A81 PolarHBondContact O-N 3.11Å; L78-A81 VanDerWaalsContact O-N 3.14Å; L78-Y82 HydrophobicContact CB-CE2 3.97Å; L78-Y82 WeakPolarHBondContact O-CD2 3.11Å; L78-Y82 PolarHBondContact O-N 2.67Å
79	K	79.5	Confident	83.6	Confident	10 Å²	10	55 Å²	55	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-54.9	-45.1	-175	-80.9	177.8	-179.9	-177.5	0	113.2	S76 A81 Y82 Y83 W107	S76-K79 WeakPolarHBondContact O-CB 3.46Å; S76-K79 WeakPolarHBondContact O-CG 3.5Å; S76-K79 PolarHBondContact O-N 3.08Å; S76-K79 VanDerWaalsContact O-N 3.09Å; K79-A81 VanDerWaalsContact C-N 3.26Å; K79-A81 PolarHBondContact O-N 3.02Å; K79-Y82 PolarHBondContact O-N 2.88Å; K79-Y82 VanDerWaalsContact O-N 3.15Å; K79-Y83 HydrophobicContact CB-CE2 4.46Å; K79-Y83 WeakPolarHBondContact O-CD1 3.38Å; K79-Y83 PolarHBondContact O-N 3.22Å; K79-W107 HydrophobicContact CD-CZ3 4.24Å
80	D	85.4	Confident	84	Confident	59 Å²	59	55 Å²	55	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-37.5	-177.2	-73.9	7.6	0	0	0	111.6	L78 Y82 Y83 I84 R113 V114	L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.46Å; D80-Y82 VanDerWaalsContact C-N 3.34Å; D80-Y82 PolarHBondContact O-N 3Å; D80-Y83 PolarHBondContact O-N 2.82Å; D80-I84 WeakPolarHBondContact O-CG1 3.45Å; D80-I84 PolarHBondContact O-N 3.24Å; D80-R113 IonicContact OD2-CZ 2.71Å; D80-R113 IonicContact OD2-NE 3.63Å; D80-R113 IonicContact OD2-NH1 2.98Å; D80-V114 HydrophobicContact CB-CG2 3.97Å
81	A	88.6	Confident	84.6	Confident	55 Å²	55	54.8 Å²	54.8	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-37.7	178.8	0	0	0	0	0	112.2	L78 K79 Y83 I84	L78-A81 WeakPolarHBondContact O-CB 3.38Å; L78-A81 PolarHBondContact O-N 3.11Å; L78-A81 VanDerWaalsContact O-N 3.14Å; K79-A81 VanDerWaalsContact C-N 3.26Å; K79-A81 PolarHBondContact O-N 3.02Å; A81-Y83 VanDerWaalsContact C-N 3.29Å; A81-Y83 PolarHBondContact O-N 3.14Å; A81-I84 PolarHBondContact O-N 3.27Å
82	Y	90.9	Very high	85.6	Confident	51 Å²	51	54.2 Å²	54.2	20%	0.2	29%	0.29	C	S	.	.	H	α-helix	trans	-68.6	-29.1	177	-56.8	-41.9	0	0	0	112.5	K15 V48 W67 L78 K79 D80	K15-Y82 VanDerWaalsContact CE-O 3.27Å; K15-Y82 WeakPolarHBondContact CE-O 3.49Å; K15-Y82 PolarHBondContact NZ-O 2.73Å; V48-Y82 HydrophobicContact CB-CD1 4.15Å; V48-Y82 HydrophobicContact CB-CD2 4.15Å; V48-Y82 HydrophobicContact CB-CE1 4.18Å; V48-Y82 HydrophobicContact CB-CE2 4.19Å; V48-Y82 HydrophobicContact CB-CG 4.13Å; V48-Y82 HydrophobicContact CG1-CD1 3.5Å; V48-Y82 VanDerWaalsContact CG1-CD1 3.5Å; V48-Y82 HydrophobicContact CG1-CD2 4.31Å; V48-Y82 HydrophobicContact CG1-CE1 3.32Å; V48-Y82 HydrophobicContact CG1-CE2 4.18Å; V48-Y82 HydrophobicContact CG1-CG 4Å; W67-Y82 HydrophobicContact CZ3-CD1 4.14Å; L78-Y82 HydrophobicContact CB-CE2 3.97Å; L78-Y82 WeakPolarHBondContact O-CD2 3.11Å; L78-Y82 PolarHBondContact O-N 2.67Å; K79-Y82 PolarHBondContact O-N 2.88Å; K79-Y82 VanDerWaalsContact O-N 3.15Å; D80-Y82 VanDerWaalsContact C-N 3.34Å; D80-Y82 PolarHBondContact O-N 3Å
83	Y	93.3	Very high	86.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-78.8	-20.4	-178.7	-61.7	-11.1	0	0	0	113.8	L17 V19 T69 K79 D80 A81 H85 G86 D110 L111 V114 C115	L17-Y83 HydrophobicContact CD1-CD1 3.85Å; L17-Y83 HydrophobicContact CD1-CG 4.04Å; L17-Y83 HydrophobicContact CD2-CD1 4.18Å; V19-Y83 HydrophobicContact CG1-CE1 3.66Å; T69-Y83 HydrophobicContact CG2-CE1 4.18Å; K79-Y83 HydrophobicContact CB-CE2 4.46Å; K79-Y83 WeakPolarHBondContact O-CD1 3.38Å; K79-Y83 PolarHBondContact O-N 3.22Å; D80-Y83 PolarHBondContact O-N 2.82Å; A81-Y83 VanDerWaalsContact C-N 3.29Å; A81-Y83 PolarHBondContact O-N 3.14Å; Y83-H85 PolarHBondContact O-N 2.89Å; Y83-G86 PolarHBondContact O-N 2.71Å; Y83-D110 HydrophobicContact CE2-CB 4.01Å; Y83-L111 HydrophobicContact CD1-CD2 4.24Å; Y83-L111 HydrophobicContact CD2-CD2 4.12Å; Y83-L111 HydrophobicContact CE1-CD2 4.3Å; Y83-L111 HydrophobicContact CE2-CD2 4.18Å; Y83-L111 HydrophobicContact CE2-CG 4.44Å; Y83-L111 HydrophobicContact CG-CD2 4.16Å; Y83-V114 HydrophobicContact CD2-CB 4.49Å; Y83-V114 HydrophobicContact CD2-CG2 4.2Å; Y83-C115 PolarHBondContact O-SG 2.94Å
84	I	93.6	Very high	88	Confident	82 Å²	82	46.2 Å²	46.2	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	132.7	-179.4	-67.9	171.9	0	0	0	110.2	K15 D80 A81 G86 V114	K15-I84 WeakPolarHBondContact CE-O 3.45Å; K15-I84 PolarHBondContact NZ-O 3.13Å; D80-I84 WeakPolarHBondContact O-CG1 3.45Å; D80-I84 PolarHBondContact O-N 3.24Å; A81-I84 PolarHBondContact O-N 3.27Å; I84-G86 PolarHBondContact O-N 3.48Å; I84-V114 HydrophobicContact CG1-CG1 4.04Å
85	H	94.4	Very high	89.3	Confident	163 Å²	163	39.4 Å²	39.4	76%	0.755	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	16.8	-176.4	-51.5	-53.5	0	0	0	115.7	Y83 Q87	Y83-H85 PolarHBondContact O-N 2.89Å; H85-Q87 PolarHBondContact O-N 2.77Å
86	G	97.3	Very high	90.8	Very high	8 Å²	8	36.9 Å²	36.9	8%	0.082	22%	0.216	C	C	.	.			trans	-56.6	135.6	167.8	0	0	0	0	0	110.6	Y83 I84 I118	Y83-G86 PolarHBondContact O-N 2.71Å; I84-G86 PolarHBondContact O-N 3.48Å; G86-I118 VanDerWaalsContact O-CG2 3.25Å; G86-I118 WeakPolarHBondContact O-CG2 3.09Å
87	Q	98.1	Very high	92.5	Very high	83 Å²	83	35.4 Å²	35.4	39%	0.388	21%	0.207	S	C	.	.			trans	-105.4	-23.4	-177.1	-70.4	168	-77.6	0	0	112.3	F14 K15 H85 I118 P119	F14-Q87 VanDerWaalsContact CA-OE1 3.3Å; K15-Q87 PolarHBondContact O-N 3.09Å; H85-Q87 PolarHBondContact O-N 2.77Å; Q87-I118 WeakPolarHBondContact O-CB 3.16Å; Q87-P119 WeakPolarHBondContact O-CD 3.26Å
88	C	98.6	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	166.3	172.2	56.1	0	0	0	0	110.6	K15 L16 L17 P119 L167 I171	K15-C88 PolarHBondContact O-N 3.1Å; L16-C88 VanDerWaalsContact CB-SG 3.59Å; L17-C88 PolarHBondContact N-O 3.44Å; C88-P119 WeakPolarHBondContact CA-O 3.41Å; C88-P119 HydrophobicContact CB-CG 3.93Å; C88-L167 HydrophobicContact CB-CB 4.36Å; C88-L167 HydrophobicContact CB-CD1 4.08Å; C88-L167 HydrophobicContact CB-CD2 3.79Å; C88-L167 HydrophobicContact CB-CG 4.28Å; C88-I171 HydrophobicContact CB-CD1 3.8Å; C88-I171 HydrophobicContact CB-CG1 4.5Å
89	A	98.5	Very high	95	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.3	176.6	0	0	0	0	0	114.3	L17 L111 I118 P119 I120 V121	L17-A89 HydrophobicContact CB-CB 4.17Å; L17-A89 CarbonylContact O-C 3.55Å; L17-A89 WeakPolarHBondContact O-CA 3.47Å; A89-L111 HydrophobicContact CB-CD1 3.68Å; A89-L111 HydrophobicContact CB-CD2 4.19Å; A89-I118 HydrophobicContact CB-CD1 3.93Å; A89-P119 PolarHBondContact N-O 2.98Å; A89-I120 HydrophobicContact CB-CG1 4.05Å; A89-I120 HydrophobicContact CB-CG2 4.41Å; A89-I120 VanDerWaalsContact O-CA 3.29Å; A89-I120 WeakPolarHBondContact O-CA 3.41Å; A89-V121 PolarHBondContact O-N 2.79Å
90	I	98.7	Very high	95.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124	164.2	-64	176.5	0	0	0	107.7	L16 L17 I18 V19 F29 V121 C123 P163 F164 L167	L16-I90 HydrophobicContact CD1-CD1 4.24Å; L16-I90 HydrophobicContact CD2-CD1 4.18Å; L16-I90 HydrophobicContact CD2-CG1 4.29Å; L17-I90 PolarHBondContact O-N 3.22Å; I18-I90 WeakPolarHBondContact CA-O 3.43Å; I18-I90 HydrophobicContact CD1-CB 4.41Å; I18-I90 HydrophobicContact CD1-CG2 4.21Å; I18-I90 HydrophobicContact CG1-CB 4.04Å; I18-I90 HydrophobicContact CG1-CG2 4.11Å; V19-I90 PolarHBondContact N-O 2.75Å; F29-I90 HydrophobicContact CE1-CD1 4.09Å; I90-V121 WeakPolarHBondContact CA-O 3.45Å; I90-C123 HydrophobicContact CG2-CB 4.15Å; I90-P163 HydrophobicContact CD1-CB 3.88Å; I90-P163 HydrophobicContact CG1-CB 4.44Å; I90-F164 HydrophobicContact CD1-CE1 4.43Å; I90-F164 HydrophobicContact CD1-CZ 4.44Å; I90-L167 HydrophobicContact CD1-CD1 4.31Å; I90-L167 HydrophobicContact CG1-CD1 3.82Å
91	I	98.2	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.7	166.9	-54.7	176.6	0	0	0	107.1	V19 I104 W107 Y108 L111 I120 V121 L122 C123	V19-I91 HydrophobicContact CG2-CB 4.32Å; V19-I91 HydrophobicContact CG2-CG1 3.79Å; V19-I91 HydrophobicContact CG2-CG2 4.39Å; V19-I91 WeakPolarHBondContact O-CA 3.43Å; I91-I104 HydrophobicContact CG2-CG1 4.31Å; I91-I104 HydrophobicContact CG2-CG2 4.19Å; I91-W107 HydrophobicContact CG2-CB 4.14Å; I91-Y108 HydrophobicContact CD1-CD2 4.12Å; I91-L111 HydrophobicContact CD1-CD1 3.96Å; I91-L111 HydrophobicContact CG1-CD1 3.75Å; I91-I120 HydrophobicContact CD1-CG2 3.83Å; I91-I120 HydrophobicContact CG1-CG2 3.87Å; I91-V121 PolarHBondContact N-O 3.45Å; I91-L122 HydrophobicContact CB-CD1 4.11Å; I91-L122 HydrophobicContact CG2-CD1 4.1Å; I91-L122 WeakPolarHBondContact O-CA 3.3Å; I91-C123 PolarHBondContact O-N 2.89Å
92	M	98.3	Very high	96.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.3	-176.7	-171.6	175.7	-74.3	0	0	111.6	I18 V19 G20 K26 F29 C123 N125 M152	I18-M92 HydrophobicContact CD1-CE 4.07Å; V19-M92 PolarHBondContact O-N 3.22Å; G20-M92 WeakPolarHBondContact CA-O 3.41Å; K26-M92 HydrophobicContact CG-CB 4.08Å; K26-M92 HydrophobicContact CG-SD 4.16Å; F29-M92 HydrophobicContact CB-CE 3.99Å; F29-M92 HydrophobicContact CD1-CE 3.8Å; F29-M92 HydrophobicContact CE1-CE 4.34Å; F29-M92 HydrophobicContact CG-CE 3.87Å; M92-C123 WeakPolarHBondContact CA-O 3.19Å; M92-C123 HydrophobicContact CE-CB 4.42Å; M92-C123 HydrophobicContact CG-CB 4.43Å; M92-N125 HydrophobicContact CG-CB 3.96Å; M92-N125 HydrophobicContact SD-CB 3.89Å; M92-M152 HydrophobicContact CE-CE 3.93Å; M92-M152 HydrophobicContact CE-SD 3.93Å
93	F	98.4	Very high	97.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	163.9	169.3	74.7	-83.7	0	0	0	110.4	V95 Y101 I104 L122 C123 G124 N125 I134 V139 Y149	F93-V95 HydrophobicContact CE2-CG1 3.92Å; F93-V95 HydrophobicContact CZ-CG1 4.4Å; F93-Y101 HydrophobicContact CD1-CD2 4.31Å; F93-Y101 HydrophobicContact CD2-CD2 4.07Å; F93-Y101 HydrophobicContact CD2-CG 4.41Å; F93-Y101 HydrophobicContact CE1-CD2 4.13Å; F93-Y101 AromaticContact CE2-CD2 3.9Å; F93-Y101 HydrophobicContact CE2-CD2 3.9Å; F93-Y101 HydrophobicContact CE2-CG 4.43Å; F93-Y101 HydrophobicContact CG-CD2 4.27Å; F93-Y101 AromaticContact CZ-CD2 3.93Å; F93-Y101 HydrophobicContact CZ-CD2 3.93Å; F93-I104 HydrophobicContact CB-CD1 4.08Å; F93-I104 HydrophobicContact CB-CG1 4.3Å; F93-I104 HydrophobicContact CD1-CD1 3.63Å; F93-I104 HydrophobicContact CE1-CD1 4.22Å; F93-I104 HydrophobicContact CG-CD1 3.93Å; F93-L122 HydrophobicContact CD1-CD1 3.94Å; F93-L122 HydrophobicContact CD1-CG 4.3Å; F93-L122 HydrophobicContact CE1-CD1 4.19Å; F93-L122 HydrophobicContact CE1-CD2 4.19Å; F93-L122 HydrophobicContact CE1-CG 4.04Å; F93-C123 WeakPolarHBondContact CD1-O 3.36Å; F93-C123 PolarHBondContact N-O 2.97Å; F93-G124 VanDerWaalsContact CZ-CA 3.47Å; F93-N125 PolarHBondContact O-N 2.87Å; F93-I134 HydrophobicContact CD2-CD1 3.99Å; F93-I134 HydrophobicContact CE2-CD1 3.81Å; F93-V139 HydrophobicContact CE1-CG1 4.24Å; F93-V139 HydrophobicContact CZ-CG1 3.86Å; F93-V139 HydrophobicContact CZ-CG2 4.06Å; F93-Y149 AromaticContact CE1-CE2 3.81Å; F93-Y149 HydrophobicContact CE1-CE2 3.81Å; F93-Y149 AromaticContact CZ-CE2 3.98Å; F93-Y149 HydrophobicContact CZ-CE2 3.98Å
94	D	97.6	Very high	97.4	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.043	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.8	178.4	179.3	-13	0	0	0	109.6	T24 T96 A97 T100 K126	T24-D94 HydrophobicContact CG2-CB 4.24Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 VanDerWaalsContact O-N 3.16Å; D94-T96 WeakPolarHBondContact OD1-CA 3.5Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.37Å; D94-T96 PolarHBondContact OD1-N 3.29Å; D94-T96 PolarHBondContact OD1-OG1 3.42Å; D94-T96 PolarHBondContact OD2-OG1 3.02Å; D94-A97 HydrophobicContact CB-CB 4.05Å; D94-A97 PolarHBondContact O-N 2.9Å; D94-A97 VanDerWaalsContact O-N 3.11Å; D94-T100 HydrophobicContact CB-CG2 4.35Å; D94-T100 PolarHBondContact N-OG1 3.18Å; D94-T100 PolarHBondContact O-OG1 2.82Å; D94-K126 VanDerWaalsContact OD2-CD 3.31Å; D94-K126 WeakPolarHBondContact OD2-CD 3.45Å; D94-K126 WeakPolarHBondContact OD2-CE 3.39Å; D94-K126 IonicContact OD2-NZ 3.15Å; D94-K126 PolarHBondContact OD2-NZ 3.42Å
95	V	98	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.5	-178.8	-56.6	0	0	0	0	113.5	F93 N125 K126 V127 R132 Q133 I134	F93-V95 HydrophobicContact CE2-CG1 3.92Å; F93-V95 HydrophobicContact CZ-CG1 4.4Å; V95-N125 WeakPolarHBondContact CG2-O 3.36Å; V95-N125 PolarHBondContact N-O 3.38Å; V95-K126 WeakPolarHBondContact CG2-O 3.45Å; V95-V127 HydrophobicContact CG1-CG1 3.98Å; V95-V127 HydrophobicContact CG2-CG1 4.11Å; V95-R132 HydrophobicContact CB-CG 4.14Å; V95-R132 HydrophobicContact CG2-CG 4.03Å; V95-Q133 PolarHBondContact O-N 3.45Å; V95-I134 PolarHBondContact O-N 3.41Å
96	T	97.5	Very high	97.5	Very high	24 Å²	24	34.7 Å²	34.7	15%	0.147	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-10	177.6	75.3	0	0	0	0	113	D94 K126 V129 Q133	D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 VanDerWaalsContact O-N 3.16Å; D94-T96 WeakPolarHBondContact OD1-CA 3.5Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.37Å; D94-T96 PolarHBondContact OD1-N 3.29Å; D94-T96 PolarHBondContact OD1-OG1 3.42Å; D94-T96 PolarHBondContact OD2-OG1 3.02Å; T96-K126 HydrophobicContact CG2-CB 4.37Å; T96-V129 HydrophobicContact CG2-CB 3.54Å; T96-V129 HydrophobicContact CG2-CG1 3.62Å; T96-V129 HydrophobicContact CG2-CG2 4.27Å; T96-Q133 WeakPolarHBondContact O-CG 3.43Å; T96-Q133 PolarHBondContact O-NE2 3.33Å; T96-Q133 VanDerWaalsContact O-NE2 3.1Å; T96-Q133 PolarHBondContact O-OE1 3.12Å
97	A	97.1	Very high	97.4	Very high	15 Å²	15	34.4 Å²	34.4	12%	0.124	16%	0.16	C	C	.	.			trans	-126.4	92.3	-177.4	0	0	0	0	0	110.5	D94 H99 T100	D94-A97 HydrophobicContact CB-CB 4.05Å; D94-A97 PolarHBondContact O-N 2.9Å; D94-A97 VanDerWaalsContact O-N 3.11Å; A97-H99 PolarHBondContact O-N 3.3Å; A97-H99 VanDerWaalsContact O-N 3.08Å; A97-T100 HydrophobicContact CB-CG2 3.84Å; A97-T100 WeakPolarHBondContact O-CB 3.49Å; A97-T100 PolarHBondContact O-N 3.09Å; A97-T100 PolarHBondContact O-OG1 2.92Å
98	R	96.9	Very high	97.3	Very high	140 Å²	140	31.9 Å²	31.9	53%	0.528	15%	0.147	S	C	.	.	H	α-helix	trans	-52.4	-37.7	-171.8	-176.8	179.8	174.2	115.4	-2.3	114.3	T100 Y101 M102 Q133 I134	R98-T100 PolarHBondContact O-N 3.36Å; R98-Y101 PolarHBondContact O-N 3.15Å; R98-M102 HydrophobicContact CG-SD 4.31Å; R98-M102 PolarHBondContact O-N 3.37Å; R98-Q133 HydrophobicContact CB-CB 4.31Å; R98-I134 HydrophobicContact CB-CG1 4.38Å; R98-I134 HydrophobicContact CG-CG1 4.4Å
99	H	96.7	Very high	97.1	Very high	107 Å²	107	39.8 Å²	39.8	50%	0.495	18%	0.177	S	C	.	.	H	α-helix	trans	-60	-35.1	-179.2	65.6	-91	0	0	0	112.4	D21 A97 Y101 M102 N103	D21-H99 IonicContact OD2-CD2 3.39Å; A97-H99 PolarHBondContact O-N 3.3Å; A97-H99 VanDerWaalsContact O-N 3.08Å; H99-Y101 PolarHBondContact O-N 3.29Å; H99-M102 WeakPolarHBondContact O-CB 3.35Å; H99-M102 PolarHBondContact O-N 3.17Å; H99-N103 PolarHBondContact O-N 2.9Å
100	T	97.7	Very high	96.8	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-31.2	179.7	70	0	0	0	0	112.5	D21 T24 D94 A97 R98	D21-T100 HydrophobicContact CB-CG2 3.83Å; D21-T100 WeakPolarHBondContact OD2-CA 3.25Å; T24-T100 HydrophobicContact CG2-CG2 3.81Å; D94-T100 HydrophobicContact CB-CG2 4.35Å; D94-T100 PolarHBondContact N-OG1 3.18Å; D94-T100 PolarHBondContact O-OG1 2.82Å; A97-T100 HydrophobicContact CB-CG2 3.84Å; A97-T100 WeakPolarHBondContact O-CB 3.49Å; A97-T100 PolarHBondContact O-N 3.09Å; A97-T100 PolarHBondContact O-OG1 2.92Å; R98-T100 PolarHBondContact O-N 3.36Å
101	Y	98.3	Very high	96.6	Very high	37 Å²	37	41.6 Å²	41.6	15%	0.145	19%	0.187	C	C	.	.	H	α-helix	trans	-75.3	-38.5	172.4	176.9	-100.6	0	0	0	112.2	F93 R98 H99 N103 I104 I134 H138 V139 S140 Y141	F93-Y101 HydrophobicContact CD1-CD2 4.31Å; F93-Y101 HydrophobicContact CD2-CD2 4.07Å; F93-Y101 HydrophobicContact CD2-CG 4.41Å; F93-Y101 HydrophobicContact CE1-CD2 4.13Å; F93-Y101 AromaticContact CE2-CD2 3.9Å; F93-Y101 HydrophobicContact CE2-CD2 3.9Å; F93-Y101 HydrophobicContact CE2-CG 4.43Å; F93-Y101 HydrophobicContact CG-CD2 4.27Å; F93-Y101 AromaticContact CZ-CD2 3.93Å; F93-Y101 HydrophobicContact CZ-CD2 3.93Å; R98-Y101 PolarHBondContact O-N 3.15Å; H99-Y101 PolarHBondContact O-N 3.29Å; Y101-N103 PolarHBondContact O-N 2.95Å; Y101-I104 HydrophobicContact CD2-CD1 3.22Å; Y101-I104 HydrophobicContact CE2-CD1 3.7Å; Y101-I104 HydrophobicContact CG-CD1 3.97Å; Y101-I104 WeakPolarHBondContact O-CB 3.31Å; Y101-I104 WeakPolarHBondContact O-CD1 3.24Å; Y101-I104 WeakPolarHBondContact O-CG1 3.33Å; Y101-I104 PolarHBondContact O-N 3.42Å; Y101-I134 HydrophobicContact CD1-CD1 4.47Å; Y101-I134 HydrophobicContact CG-CD1 3.91Å; Y101-H138 PolarHBondContact OH-O 3.28Å; Y101-V139 HydrophobicContact CD2-CG1 4.34Å; Y101-V139 HydrophobicContact CE2-CB 4.35Å; Y101-V139 HydrophobicContact CE2-CG1 3.67Å; Y101-S140 PolarHBondContact OH-N 2.88Å; Y101-Y141 PolarHBondContact OH-N 2.83Å
102	M	97	Very high	96.5	Very high	126 Å²	126	44.7 Å²	44.7	62%	0.621	20%	0.198	S	C	*	.	H	α-helix	trans	-62.6	-30.3	177.2	-64.6	-179.9	66.7	0	0	111.9	R98 H99	R98-M102 HydrophobicContact CG-SD 4.31Å; R98-M102 PolarHBondContact O-N 3.37Å; H99-M102 WeakPolarHBondContact O-CB 3.35Å; H99-M102 PolarHBondContact O-N 3.17Å
103	N	96.6	Very high	96.2	Very high	58 Å²	58	53.5 Å²	53.5	31%	0.31	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.7	180	-69.1	-19.6	0	0	0	114.6	D21 H99 Y101 D105 R106 W107	D21-N103 WeakPolarHBondContact OD1-CB 3.41Å; D21-N103 PolarHBondContact OD2-ND2 2.93Å; H99-N103 PolarHBondContact O-N 2.9Å; Y101-N103 PolarHBondContact O-N 2.95Å; N103-D105 PolarHBondContact O-N 3.48Å; N103-R106 WeakPolarHBondContact O-CB 3.07Å; N103-R106 PolarHBondContact O-N 3Å; N103-R106 VanDerWaalsContact O-N 3.15Å; N103-W107 VanDerWaalsContact O-CD1 3.24Å; N103-W107 PolarHBondContact O-N 3.3Å
104	I	97.5	Very high	96	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-38.2	-179.9	-72.2	163	0	0	0	112.3	I91 F93 Y101 R106 W107 Y108 L122 Y141	I91-I104 HydrophobicContact CG2-CG1 4.31Å; I91-I104 HydrophobicContact CG2-CG2 4.19Å; F93-I104 HydrophobicContact CB-CD1 4.08Å; F93-I104 HydrophobicContact CB-CG1 4.3Å; F93-I104 HydrophobicContact CD1-CD1 3.63Å; F93-I104 HydrophobicContact CE1-CD1 4.22Å; F93-I104 HydrophobicContact CG-CD1 3.93Å; Y101-I104 HydrophobicContact CD2-CD1 3.22Å; Y101-I104 HydrophobicContact CE2-CD1 3.7Å; Y101-I104 HydrophobicContact CG-CD1 3.97Å; Y101-I104 WeakPolarHBondContact O-CB 3.31Å; Y101-I104 WeakPolarHBondContact O-CD1 3.24Å; Y101-I104 WeakPolarHBondContact O-CG1 3.33Å; Y101-I104 PolarHBondContact O-N 3.42Å; I104-R106 PolarHBondContact O-N 2.7Å; I104-W107 PolarHBondContact O-N 3.19Å; I104-Y108 WeakPolarHBondContact O-CB 3.28Å; I104-Y108 PolarHBondContact O-N 3.22Å; I104-L122 HydrophobicContact CD1-CD1 3.67Å; I104-L122 HydrophobicContact CD1-CD2 4.37Å; I104-L122 HydrophobicContact CG1-CD1 4.14Å; I104-L122 HydrophobicContact CG2-CD1 4.06Å; I104-Y141 HydrophobicContact CG2-CD1 3.4Å; I104-Y141 HydrophobicContact CG2-CD2 4.2Å; I104-Y141 HydrophobicContact CG2-CE1 3.49Å; I104-Y141 VanDerWaalsContact CG2-CE1 3.49Å; I104-Y141 HydrophobicContact CG2-CE2 4.28Å; I104-Y141 HydrophobicContact CG2-CG 3.79Å
105	D	96.8	Very high	95.8	Very high	51 Å²	51	55.8 Å²	55.8	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-37.7	-177.3	-168.7	69.3	0	0	0	112.2	N103 R109 Y141	N103-D105 PolarHBondContact O-N 3.48Å; D105-R109 WeakPolarHBondContact O-CB 3.33Å; D105-R109 WeakPolarHBondContact O-CG 3.45Å; D105-R109 PolarHBondContact O-N 2.96Å; D105-R109 VanDerWaalsContact OD2-CD 3.3Å; D105-R109 WeakPolarHBondContact OD2-CD 3.48Å; D105-Y141 WeakPolarHBondContact CA-OH 3.5Å; D105-Y141 HydrophobicContact CB-CE2 3.73Å; D105-Y141 WeakPolarHBondContact OD1-CE2 3.18Å; D105-Y141 PolarHBondContact OD1-OH 2.98Å
106	R	94.6	Very high	95.3	Very high	66 Å²	66	63.4 Å²	63.4	25%	0.249	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-53.8	173.8	179.6	-168.6	166.1	-162.3	18.3	110.9	E73 N103 I104 Y108 R109 D110	E73-R106 IonicContact OE1-CZ 2.67Å; E73-R106 IonicContact OE1-NH1 3Å; E73-R106 PolarHBondContact OE1-NH1 2.83Å; E73-R106 IonicContact OE1-NH2 3.26Å; E73-R106 IonicContact OE2-CZ 3.85Å; E73-R106 IonicContact OE2-NH1 2.88Å; E73-R106 PolarHBondContact OE2-NH1 3.03Å; E73-R106 VanDerWaalsContact OE2-NH1 3.15Å; E73-R106 IonicContact OE2-NH2 3.88Å; E73-R106 PolarHBondContact OE2-NH2 3.22Å; N103-R106 WeakPolarHBondContact O-CB 3.07Å; N103-R106 PolarHBondContact O-N 3Å; N103-R106 VanDerWaalsContact O-N 3.15Å; I104-R106 PolarHBondContact O-N 2.7Å; R106-Y108 VanDerWaalsContact C-N 3.27Å; R106-Y108 PolarHBondContact O-N 2.99Å; R106-R109 PolarHBondContact O-N 2.75Å; R106-R109 VanDerWaalsContact O-N 3.08Å; R106-D110 IonicContact NE-OD2 3.48Å; R106-D110 VanDerWaalsContact O-CG 3.26Å; R106-D110 PolarHBondContact O-N 3.25Å
107	W	95	Very high	95	Very high	1 Å²	1	69.6 Å²	69.6	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-40.5	179.7	-68.2	109.8	0	0	0	112.8	V19 G20 D21 K79 I91 N103 I104 L111	V19-W107 HydrophobicContact CB-CD2 4.37Å; V19-W107 HydrophobicContact CB-CE3 3.71Å; V19-W107 HydrophobicContact CB-CZ3 4.11Å; V19-W107 HydrophobicContact CG1-CE3 4.49Å; V19-W107 HydrophobicContact CG2-CB 4.11Å; V19-W107 HydrophobicContact CG2-CE3 4.2Å; G20-W107 VanDerWaalsContact O-CZ2 3.24Å; G20-W107 WeakPolarHBondContact O-CZ2 3.35Å; D21-W107 PolarHBondContact OD1-NE1 3.03Å; K79-W107 HydrophobicContact CD-CZ3 4.24Å; I91-W107 HydrophobicContact CG2-CB 4.14Å; N103-W107 VanDerWaalsContact O-CD1 3.24Å; N103-W107 PolarHBondContact O-N 3.3Å; I104-W107 PolarHBondContact O-N 3.19Å; W107-L111 WeakPolarHBondContact O-CB 3.42Å; W107-L111 WeakPolarHBondContact O-CG 3.4Å; W107-L111 PolarHBondContact O-N 3.47Å
108	Y	96	Very high	95	Very high	31 Å²	31	69.8 Å²	69.8	12%	0.122	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-44.5	175.5	177.6	-91.9	0	0	0	112.1	I91 I104 R106 L111 R112 I120 Y141 K145 L147	I91-Y108 HydrophobicContact CD1-CD2 4.12Å; I104-Y108 WeakPolarHBondContact O-CB 3.28Å; I104-Y108 PolarHBondContact O-N 3.22Å; R106-Y108 VanDerWaalsContact C-N 3.27Å; R106-Y108 PolarHBondContact O-N 2.99Å; Y108-L111 PolarHBondContact O-N 3.25Å; Y108-R112 HydrophobicContact CD1-CG 4.16Å; Y108-R112 HydrophobicContact CD2-CG 4.44Å; Y108-R112 HydrophobicContact CE1-CG 3.71Å; Y108-R112 HydrophobicContact CE2-CG 4.04Å; Y108-R112 WeakPolarHBondContact O-CB 3.24Å; Y108-R112 WeakPolarHBondContact O-CG 3.19Å; Y108-R112 PolarHBondContact O-N 2.79Å; Y108-R112 PolarHBondContact OH-NE 2.87Å; Y108-I120 HydrophobicContact CD2-CD1 4.32Å; Y108-I120 HydrophobicContact CE2-CD1 4.22Å; Y108-Y141 WeakPolarHBondContact CB-OH 3.15Å; Y108-Y141 WeakPolarHBondContact CD1-OH 3.47Å; Y108-Y141 HydrophobicContact CD2-CE1 4.36Å; Y108-Y141 HydrophobicContact CG-CE1 4.16Å; Y108-K145 HydrophobicContact CD1-CD 4.41Å; Y108-K145 HydrophobicContact CE1-CD 3.8Å; Y108-K145 HydrophobicContact CE1-CG 4.23Å; Y108-K145 HydrophobicContact CE2-CB 4.15Å; Y108-K145 HydrophobicContact CE2-CG 4.31Å; Y108-L147 HydrophobicContact CD2-CD1 4.02Å; Y108-L147 HydrophobicContact CE2-CD1 4.06Å; Y108-L147 HydrophobicContact CE2-CD2 4.15Å
109	R	94.2	Very high	95.1	Very high	165 Å²	165	64.5 Å²	64.5	62%	0.623	29%	0.294	S	S	*	.	H	α-helix	trans	-64.8	-43.9	178.3	-75.6	173.6	62.5	-175.7	-1.9	111.8	D105 R106 R112 R113	D105-R109 WeakPolarHBondContact O-CB 3.33Å; D105-R109 WeakPolarHBondContact O-CG 3.45Å; D105-R109 PolarHBondContact O-N 2.96Å; D105-R109 VanDerWaalsContact OD2-CD 3.3Å; D105-R109 WeakPolarHBondContact OD2-CD 3.48Å; R106-R109 PolarHBondContact O-N 2.75Å; R106-R109 VanDerWaalsContact O-N 3.08Å; R109-R112 PolarHBondContact O-N 3.01Å; R109-R113 WeakPolarHBondContact O-CB 3.49Å; R109-R113 PolarHBondContact O-N 2.89Å
110	D	92.4	Very high	95.1	Very high	38 Å²	38	59.6 Å²	59.6	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-46.4	178.1	-64.7	-10.8	0	0	0	110.2	Y83 R106 R113	Y83-D110 HydrophobicContact CE2-CB 4.01Å; R106-D110 IonicContact NE-OD2 3.48Å; R106-D110 VanDerWaalsContact O-CG 3.26Å; R106-D110 PolarHBondContact O-N 3.25Å; D110-R113 WeakPolarHBondContact O-CB 3.48Å; D110-R113 PolarHBondContact O-N 2.91Å
111	L	94	Very high	95.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-49.8	173.4	-81.4	174.1	0	0	0	112.3	L17 V19 Y83 A89 I91 W107 Y108 R113 V114 C115 I120	L17-L111 HydrophobicContact CB-CD2 4.17Å; L17-L111 HydrophobicContact CD1-CD2 3.52Å; V19-L111 HydrophobicContact CG1-CD2 4.17Å; V19-L111 HydrophobicContact CG1-CG 4.41Å; V19-L111 HydrophobicContact CG2-CD1 3.54Å; V19-L111 HydrophobicContact CG2-CG 4.1Å; Y83-L111 HydrophobicContact CD1-CD2 4.24Å; Y83-L111 HydrophobicContact CD2-CD2 4.12Å; Y83-L111 HydrophobicContact CE1-CD2 4.3Å; Y83-L111 HydrophobicContact CE2-CD2 4.18Å; Y83-L111 HydrophobicContact CE2-CG 4.44Å; Y83-L111 HydrophobicContact CG-CD2 4.16Å; A89-L111 HydrophobicContact CB-CD1 3.68Å; A89-L111 HydrophobicContact CB-CD2 4.19Å; I91-L111 HydrophobicContact CD1-CD1 3.96Å; I91-L111 HydrophobicContact CG1-CD1 3.75Å; W107-L111 WeakPolarHBondContact O-CB 3.42Å; W107-L111 WeakPolarHBondContact O-CG 3.4Å; W107-L111 PolarHBondContact O-N 3.47Å; Y108-L111 PolarHBondContact O-N 3.25Å; L111-R113 VanDerWaalsContact C-N 3.26Å; L111-R113 PolarHBondContact O-N 2.86Å; L111-V114 PolarHBondContact O-N 3.36Å; L111-C115 WeakPolarHBondContact O-CA 3.43Å; L111-C115 WeakPolarHBondContact O-CB 3.45Å; L111-C115 PolarHBondContact O-N 3.26Å; L111-I120 HydrophobicContact CD1-CD1 4.45Å
112	R	94.8	Very high	95.2	Very high	64 Å²	64	57.6 Å²	57.6	24%	0.242	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-23.3	-176.4	-73.5	-68.6	-178	-176.7	-8.7	113.7	Y108 R109 V114 K116 I118	Y108-R112 HydrophobicContact CD1-CG 4.16Å; Y108-R112 HydrophobicContact CD2-CG 4.44Å; Y108-R112 HydrophobicContact CE1-CG 3.71Å; Y108-R112 HydrophobicContact CE2-CG 4.04Å; Y108-R112 WeakPolarHBondContact O-CB 3.24Å; Y108-R112 WeakPolarHBondContact O-CG 3.19Å; Y108-R112 PolarHBondContact O-N 2.79Å; Y108-R112 PolarHBondContact OH-NE 2.87Å; R109-R112 PolarHBondContact O-N 3.01Å; R112-V114 VanDerWaalsContact C-N 3.3Å; R112-K116 PolarHBondContact NH1-O 3.15Å; R112-I118 PolarHBondContact NH2-O 2.73Å
113	R	92.8	Very high	95.3	Very high	187 Å²	187	51.6 Å²	51.6	71%	0.706	23%	0.233	S	C	*	.	H	α-helix	trans	-62.3	-39.9	173.5	-176.9	-177.3	176.9	179.5	-3	111.3	D80 R109 D110 L111	D80-R113 IonicContact OD2-CZ 2.71Å; D80-R113 IonicContact OD2-NE 3.63Å; D80-R113 IonicContact OD2-NH1 2.98Å; R109-R113 WeakPolarHBondContact O-CB 3.49Å; R109-R113 PolarHBondContact O-N 2.89Å; D110-R113 WeakPolarHBondContact O-CB 3.48Å; D110-R113 PolarHBondContact O-N 2.91Å; L111-R113 VanDerWaalsContact C-N 3.26Å; L111-R113 PolarHBondContact O-N 2.86Å
114	V	94.1	Very high	95.4	Very high	46 Å²	46	48.9 Å²	48.9	28%	0.279	22%	0.219	S	C	.	.	H	α-helix	trans	-95.4	-44.3	-178.5	-174.1	0	0	0	0	111.5	D80 Y83 I84 L111 R112	D80-V114 HydrophobicContact CB-CG2 3.97Å; Y83-V114 HydrophobicContact CD2-CB 4.49Å; Y83-V114 HydrophobicContact CD2-CG2 4.2Å; I84-V114 HydrophobicContact CG1-CG1 4.04Å; L111-V114 PolarHBondContact O-N 3.36Å; R112-V114 VanDerWaalsContact C-N 3.3Å
115	C	94.7	Very high	95.4	Very high	9 Å²	9	49 Å²	49	6%	0.061	22%	0.219	C	C	.	.			trans	-111.1	92.3	-174.8	-58.3	0	0	0	0	111	Y83 L111 N117 I118	Y83-C115 PolarHBondContact O-SG 2.94Å; L111-C115 WeakPolarHBondContact O-CA 3.43Å; L111-C115 WeakPolarHBondContact O-CB 3.45Å; L111-C115 PolarHBondContact O-N 3.26Å; C115-N117 PolarHBondContact O-N 3.03Å; C115-I118 HydrophobicContact CB-CD1 3.5Å; C115-I118 HydrophobicContact CB-CG1 3.74Å; C115-I118 HydrophobicContact CB-CG2 4.04Å
116	K	87.2	Confident	95.4	Very high	161 Å²	161	49.3 Å²	49.3	70%	0.7	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-44.2	-171.3	-71.7	-178.4	179.9	177.1	0	114.1	R112	R112-K116 PolarHBondContact NH1-O 3.15Å
117	N	90.3	Very high	95.5	Very high	153 Å²	153	48.1 Å²	48.1	82%	0.818	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.9	33.4	-165.2	-71.1	-25	0	0	0	115	C115	C115-N117 PolarHBondContact O-N 3.03Å
118	I	97.4	Very high	95.5	Very high	20 Å²	20	50.1 Å²	50.1	10%	0.103	23%	0.229	C	C	.	.			trans	-85.5	147.9	178.7	63.5	168.6	0	0	0	111.8	G86 Q87 A89 R112 C115 I120	G86-I118 VanDerWaalsContact O-CG2 3.25Å; G86-I118 WeakPolarHBondContact O-CG2 3.09Å; Q87-I118 WeakPolarHBondContact O-CB 3.16Å; A89-I118 HydrophobicContact CB-CD1 3.93Å; R112-I118 PolarHBondContact NH2-O 2.73Å; C115-I118 HydrophobicContact CB-CD1 3.5Å; C115-I118 HydrophobicContact CB-CG1 3.74Å; C115-I118 HydrophobicContact CB-CG2 4.04Å; I118-I120 HydrophobicContact CD1-CG1 4.48Å; I118-I120 HydrophobicContact CG1-CD1 4.4Å; I118-I120 HydrophobicContact CG1-CG1 4.08Å
119	P	98.2	Very high	95.4	Very high	28 Å²	28	50.6 Å²	50.6	18%	0.182	24%	0.235	C	C	.	.			trans	-63.8	135.5	167.3	26.7	-34	0	0	0	110.4	Q87 C88 A89 L167 R170 I171	Q87-P119 WeakPolarHBondContact O-CD 3.26Å; C88-P119 WeakPolarHBondContact CA-O 3.41Å; C88-P119 HydrophobicContact CB-CG 3.93Å; A89-P119 PolarHBondContact N-O 2.98Å; P119-L167 HydrophobicContact CB-CD2 3.85Å; P119-L167 HydrophobicContact CG-CD2 4.14Å; P119-R170 HydrophobicContact CB-CB 3.72Å; P119-R170 HydrophobicContact CB-CG 4.19Å; P119-R170 HydrophobicContact CG-CB 4.03Å; P119-I171 HydrophobicContact CG-CG1 4.06Å
120	I	98.5	Very high	95.4	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.3	-178.5	-58.1	176.6	0	0	0	108.8	A89 I91 Y108 L111 I118 L147	A89-I120 HydrophobicContact CB-CG1 4.05Å; A89-I120 HydrophobicContact CB-CG2 4.41Å; A89-I120 VanDerWaalsContact O-CA 3.29Å; A89-I120 WeakPolarHBondContact O-CA 3.41Å; I91-I120 HydrophobicContact CD1-CG2 3.83Å; I91-I120 HydrophobicContact CG1-CG2 3.87Å; Y108-I120 HydrophobicContact CD2-CD1 4.32Å; Y108-I120 HydrophobicContact CE2-CD1 4.22Å; L111-I120 HydrophobicContact CD1-CD1 4.45Å; I118-I120 HydrophobicContact CD1-CG1 4.48Å; I118-I120 HydrophobicContact CG1-CD1 4.4Å; I118-I120 HydrophobicContact CG1-CG1 4.08Å; I120-L147 HydrophobicContact CB-CD2 4Å; I120-L147 HydrophobicContact CG2-CD1 4.23Å; I120-L147 HydrophobicContact CG2-CD2 4.4Å
121	V	98.4	Very high	95.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.1	170.9	-178.5	0	0	0	0	109.4	A89 I90 I91 Q148 Y150 P163 Y166 L167	A89-V121 PolarHBondContact O-N 2.79Å; I90-V121 WeakPolarHBondContact CA-O 3.45Å; I91-V121 PolarHBondContact N-O 3.45Å; V121-Q148 HydrophobicContact CG2-CB 4.37Å; V121-Y150 HydrophobicContact CG1-CD2 3.71Å; V121-Y150 HydrophobicContact CG1-CE2 4.17Å; V121-P163 HydrophobicContact CG1-CB 4.12Å; V121-Y166 HydrophobicContact CG2-CD1 3.17Å; V121-Y166 HydrophobicContact CG2-CE1 3.65Å; V121-Y166 HydrophobicContact CG2-CG 4.05Å; V121-L167 HydrophobicContact CG2-CD1 4.39Å; V121-L167 HydrophobicContact CG2-CD2 3.76Å; V121-L167 HydrophobicContact CG2-CG 3.82Å
122	L	98.6	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.4	167.5	-177	67.1	0	0	0	109.5	I91 F93 I104 V139 H142 Q148 Y149 Y150	I91-L122 HydrophobicContact CB-CD1 4.11Å; I91-L122 HydrophobicContact CG2-CD1 4.1Å; I91-L122 WeakPolarHBondContact O-CA 3.3Å; F93-L122 HydrophobicContact CD1-CD1 3.94Å; F93-L122 HydrophobicContact CD1-CG 4.3Å; F93-L122 HydrophobicContact CE1-CD1 4.19Å; F93-L122 HydrophobicContact CE1-CD2 4.19Å; F93-L122 HydrophobicContact CE1-CG 4.04Å; I104-L122 HydrophobicContact CD1-CD1 3.67Å; I104-L122 HydrophobicContact CD1-CD2 4.37Å; I104-L122 HydrophobicContact CG1-CD1 4.14Å; I104-L122 HydrophobicContact CG2-CD1 4.06Å; L122-V139 HydrophobicContact CD2-CG1 4.34Å; L122-H142 HydrophobicContact CB-CB 4.44Å; L122-H142 HydrophobicContact CD2-CB 3.96Å; L122-Q148 PolarHBondContact N-O 3.39Å; L122-Y149 HydrophobicContact CB-CD2 4.16Å; L122-Y149 HydrophobicContact CD2-CD2 3.98Å; L122-Y149 HydrophobicContact CD2-CE2 4.48Å; L122-Y149 HydrophobicContact CG-CD2 3.95Å; L122-Y149 HydrophobicContact CG-CE2 4.48Å; L122-Y149 VanDerWaalsContact O-CA 3.3Å; L122-Y149 WeakPolarHBondContact O-CA 3.44Å; L122-Y149 WeakPolarHBondContact O-CD2 3.39Å; L122-Y150 PolarHBondContact O-N 2.69Å
123	C	98.6	Very high	95.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.3	179.6	-68.5	0	0	0	0	111	I90 I91 M92 F93 Y150 M152 P163	I90-C123 HydrophobicContact CG2-CB 4.15Å; I91-C123 PolarHBondContact O-N 2.89Å; M92-C123 WeakPolarHBondContact CA-O 3.19Å; M92-C123 HydrophobicContact CE-CB 4.42Å; M92-C123 HydrophobicContact CG-CB 4.43Å; F93-C123 WeakPolarHBondContact CD1-O 3.36Å; F93-C123 PolarHBondContact N-O 2.97Å; C123-Y150 WeakPolarHBondContact CA-O 3.29Å; C123-M152 HydrophobicContact CB-CG 4.33Å; C123-M152 HydrophobicContact CB-SD 3.62Å; C123-P163 VanDerWaalsContact SG-CG 3.55Å
124	G	98.3	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	103.3	167.7	0	0	0	0	0	109.5	F93 Y150 E151 M152	F93-G124 VanDerWaalsContact CZ-CA 3.47Å; G124-Y150 PolarHBondContact N-O 3.34Å; G124-E151 WeakPolarHBondContact O-CA 3.49Å; G124-M152 PolarHBondContact O-N 3.06Å
125	N	98.1	Very high	95.5	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	166.4	-176.8	-168.5	28.9	0	0	0	112.2	T24 M92 F93 V95 M152 A154	T24-N125 PolarHBondContact O-ND2 3.15Å; M92-N125 HydrophobicContact CG-CB 3.96Å; M92-N125 HydrophobicContact SD-CB 3.89Å; F93-N125 PolarHBondContact O-N 2.87Å; V95-N125 WeakPolarHBondContact CG2-O 3.36Å; V95-N125 PolarHBondContact N-O 3.38Å; N125-M152 CarbonylContact C-O 3.48Å; N125-M152 VanDerWaalsContact CA-O 3.3Å; N125-M152 WeakPolarHBondContact CA-O 3.49Å; N125-M152 HydrophobicContact CB-CG 4.27Å; N125-M152 PolarHBondContact OD1-O 3.27Å; N125-A154 PolarHBondContact OD1-N 3.42Å; N125-A154 VanDerWaalsContact OD1-N 3.09Å
126	K	96.7	Very high	95.4	Very high	58 Å²	58	55.2 Å²	55.2	25%	0.252	29%	0.291	S	S	.	.			trans	68.4	33.8	178.2	-46.9	-167	-165	166	0	114.8	G23 D94 V95 T96 D128 V129 M152	G23-K126 VanDerWaalsContact O-CE 3.28Å; G23-K126 WeakPolarHBondContact O-CE 3.43Å; G23-K126 PolarHBondContact O-NZ 3.32Å; D94-K126 VanDerWaalsContact OD2-CD 3.31Å; D94-K126 WeakPolarHBondContact OD2-CD 3.45Å; D94-K126 WeakPolarHBondContact OD2-CE 3.39Å; D94-K126 IonicContact OD2-NZ 3.15Å; D94-K126 PolarHBondContact OD2-NZ 3.42Å; V95-K126 WeakPolarHBondContact CG2-O 3.45Å; T96-K126 HydrophobicContact CG2-CB 4.37Å; K126-D128 WeakPolarHBondContact CA-OD1 3.24Å; K126-D128 PolarHBondContact O-N 3.21Å; K126-V129 HydrophobicContact CB-CG2 4.04Å; K126-V129 WeakPolarHBondContact O-CB 3.41Å; K126-V129 PolarHBondContact O-N 3.37Å; K126-V129 VanDerWaalsContact O-N 3.09Å; K126-M152 PolarHBondContact N-O 2.9Å; K126-M152 VanDerWaalsContact N-O 3.09Å
127	V	96.6	Very high	95.7	Very high	41 Å²	41	55 Å²	55	25%	0.248	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.6	177.6	-57.7	0	0	0	0	114.2	V95 E151 M152	V95-V127 HydrophobicContact CG1-CG1 3.98Å; V95-V127 HydrophobicContact CG2-CG1 4.11Å; V127-E151 HydrophobicContact CG1-CB 3.8Å; V127-E151 HydrophobicContact CG1-CG 4.06Å; V127-M152 WeakPolarHBondContact CG2-O 3.22Å; V127-M152 PolarHBondContact N-O 2.92Å
128	D	94.9	Very high	95.8	Very high	42 Å²	42	52.3 Å²	52.3	23%	0.225	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.7	170.7	58.9	-74.1	0	0	0	113.3	K126 P130 S153 K155 N156	K126-D128 WeakPolarHBondContact CA-OD1 3.24Å; K126-D128 PolarHBondContact O-N 3.21Å; D128-P130 WeakPolarHBondContact O-CD 3.15Å; D128-S153 VanDerWaalsContact OD1-CB 3.23Å; D128-S153 WeakPolarHBondContact OD1-CB 3.37Å; D128-S153 PolarHBondContact OD1-OG 2.94Å; D128-K155 VanDerWaalsContact OD2-CD 3.29Å; D128-K155 WeakPolarHBondContact OD2-CD 3.46Å; D128-N156 WeakPolarHBondContact CB-ND2 3.42Å
129	V	94.6	Very high	95.8	Very high	42 Å²	42	51.5 Å²	51.5	26%	0.255	27%	0.268	S	S	.	.			trans	-84.6	121.3	-176.4	-178.4	0	0	0	0	110.2	T96 K126 S131	T96-V129 HydrophobicContact CG2-CB 3.54Å; T96-V129 HydrophobicContact CG2-CG1 3.62Å; T96-V129 HydrophobicContact CG2-CG2 4.27Å; K126-V129 HydrophobicContact CB-CG2 4.04Å; K126-V129 WeakPolarHBondContact O-CB 3.41Å; K126-V129 PolarHBondContact O-N 3.37Å; K126-V129 VanDerWaalsContact O-N 3.09Å; V129-S131 VanDerWaalsContact C-N 3.3Å; V129-S131 VanDerWaalsContact CG1-OG 3.31Å; V129-S131 WeakPolarHBondContact CG1-OG 3.36Å; V129-S131 PolarHBondContact O-N 2.79Å
130	P	93.3	Very high	95.7	Very high	132 Å²	132	53.2 Å²	53.2	86%	0.857	28%	0.281	S	S	*	.	S	Bend	trans	-63.4	-30	-175.4	-25.5	35.1	0	0	0	114.7	D128 R132	D128-P130 WeakPolarHBondContact O-CD 3.15Å; P130-R132 PolarHBondContact O-N 3.11Å
131	S	93.9	Very high	95.6	Very high	82 Å²	82	54 Å²	54	57%	0.573	28%	0.284	S	S	*	.			trans	-76.1	38.8	-178.8	55.1	0	0	0	0	113.7	V129 Q133	V129-S131 VanDerWaalsContact C-N 3.3Å; V129-S131 VanDerWaalsContact CG1-OG 3.31Å; V129-S131 WeakPolarHBondContact CG1-OG 3.36Å; V129-S131 PolarHBondContact O-N 2.79Å; S131-Q133 PolarHBondContact O-N 3.08Å
132	R	95.5	Very high	95.6	Very high	70 Å²	70	55.4 Å²	55.4	26%	0.264	29%	0.291	S	S	.	.			trans	-59.9	128.1	178	-179.9	172.6	-175.4	156.5	5.9	111.6	V95 P130 I134 E151	V95-R132 HydrophobicContact CB-CG 4.14Å; V95-R132 HydrophobicContact CG2-CG 4.03Å; P130-R132 PolarHBondContact O-N 3.11Å; R132-I134 PolarHBondContact NE-O 3.22Å; R132-I134 PolarHBondContact NH2-O 3.24Å; R132-I134 VanDerWaalsContact NH2-O 3.1Å; R132-E151 IonicContact CZ-OE1 2.83Å; R132-E151 IonicContact CZ-OE2 3.52Å; R132-E151 IonicContact NH1-OE1 2.7Å; R132-E151 IonicContact NH1-OE2 3.54Å; R132-E151 PolarHBondContact NH1-OE2 3.01Å; R132-E151 VanDerWaalsContact NH2-CD 3.28Å; R132-E151 IonicContact NH2-OE1 2.9Å; R132-E151 PolarHBondContact NH2-OE1 3.29Å; R132-E151 IonicContact NH2-OE2 2.66Å; R132-E151 PolarHBondContact NH2-OE2 3.25Å
133	Q	96.9	Very high	95.5	Very high	116 Å²	116	64.2 Å²	64.2	54%	0.542	32%	0.324	S	S	.	.			trans	-97.3	-19.1	-179.1	-68.3	-173.9	4.4	0	0	113.8	V95 T96 R98 S131	V95-Q133 PolarHBondContact O-N 3.45Å; T96-Q133 WeakPolarHBondContact O-CG 3.43Å; T96-Q133 PolarHBondContact O-NE2 3.33Å; T96-Q133 VanDerWaalsContact O-NE2 3.1Å; T96-Q133 PolarHBondContact O-OE1 3.12Å; R98-Q133 HydrophobicContact CB-CB 4.31Å; S131-Q133 PolarHBondContact O-N 3.08Å
134	I	93.1	Very high	95.3	Very high	5 Å²	5	71.6 Å²	71.6	3%	0.026	36%	0.356	C	S	.	.	S	Bend	trans	-119	106.9	-176.2	-49.7	160.4	0	0	0	110	F93 V95 R98 Y101 R132 H138 V139	F93-I134 HydrophobicContact CD2-CD1 3.99Å; F93-I134 HydrophobicContact CE2-CD1 3.81Å; V95-I134 PolarHBondContact O-N 3.41Å; R98-I134 HydrophobicContact CB-CG1 4.38Å; R98-I134 HydrophobicContact CG-CG1 4.4Å; Y101-I134 HydrophobicContact CD1-CD1 4.47Å; Y101-I134 HydrophobicContact CG-CD1 3.91Å; R132-I134 PolarHBondContact NE-O 3.22Å; R132-I134 PolarHBondContact NH2-O 3.24Å; R132-I134 VanDerWaalsContact NH2-O 3.1Å; I134-H138 HydrophobicContact CG2-CB 4.27Å; I134-V139 HydrophobicContact CG2-CG2 3.69Å
135	K	92.6	Very high	95.2	Very high	132 Å²	132	74.7 Å²	74.7	57%	0.574	37%	0.369	S	S	*	.			trans	-59.7	142.5	175.3	-64.3	-174.6	178.4	-177.2	0	110.7	K137 H138	K135-K137 HydrophobicContact CB-CG 4.16Å; K135-K137 PolarHBondContact O-N 3.19Å; K135-K137 VanDerWaalsContact O-N 3.1Å; K135-H138 WeakPolarHBondContact O-CB 3.34Å; K135-H138 PolarHBondContact O-N 2.69Å
136	P	91.7	Very high	95	Very high	70 Å²	70	80.2 Å²	80.2	46%	0.455	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-49.7	-42.2	-179	-27.1	30.7	0	0	0	113.5	H138 V139	P136-H138 PolarHBondContact O-N 3.15Å; P136-H138 VanDerWaalsContact O-N 3.14Å; P136-V139 WeakPolarHBondContact O-CB 3.3Å; P136-V139 PolarHBondContact O-N 2.78Å
137	K	92.7	Very high	95.1	Very high	156 Å²	156	78.1 Å²	78.1	68%	0.678	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-62.3	-19.2	178.2	65	171.6	-172.9	176	0	115.2	K135	K135-K137 HydrophobicContact CB-CG 4.16Å; K135-K137 PolarHBondContact O-N 3.19Å; K135-K137 VanDerWaalsContact O-N 3.1Å
138	H	94.4	Very high	95.1	Very high	97 Å²	97	79.2 Å²	79.2	45%	0.449	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-91.6	-8.5	178.2	-62.5	171.1	0	0	0	112.6	Y101 I134 K135 P136 S140	Y101-H138 PolarHBondContact OH-O 3.28Å; I134-H138 HydrophobicContact CG2-CB 4.27Å; K135-H138 WeakPolarHBondContact O-CB 3.34Å; K135-H138 PolarHBondContact O-N 2.69Å; P136-H138 PolarHBondContact O-N 3.15Å; P136-H138 VanDerWaalsContact O-N 3.14Å; H138-S140 PolarHBondContact O-N 2.65Å; H138-S140 VanDerWaalsContact O-N 3.1Å
139	V	95.9	Very high	95.3	Very high	2 Å²	2	78.8 Å²	78.8	1%	0.012	40%	0.396	C	S	.	.			trans	-81.3	88.6	173.6	-172.3	0	0	0	0	108.2	F93 Y101 L122 I134 P136 H142 Y149	F93-V139 HydrophobicContact CE1-CG1 4.24Å; F93-V139 HydrophobicContact CZ-CG1 3.86Å; F93-V139 HydrophobicContact CZ-CG2 4.06Å; Y101-V139 HydrophobicContact CD2-CG1 4.34Å; Y101-V139 HydrophobicContact CE2-CB 4.35Å; Y101-V139 HydrophobicContact CE2-CG1 3.67Å; L122-V139 HydrophobicContact CD2-CG1 4.34Å; I134-V139 HydrophobicContact CG2-CG2 3.69Å; P136-V139 WeakPolarHBondContact O-CB 3.3Å; P136-V139 PolarHBondContact O-N 2.78Å; V139-H142 PolarHBondContact O-CE1 2.84Å; V139-H142 PolarHBondContact O-ND1 2.97Å; V139-Y149 HydrophobicContact CB-CE1 4.29Å; V139-Y149 HydrophobicContact CG1-CD2 4.29Å; V139-Y149 HydrophobicContact CG1-CE1 4.03Å; V139-Y149 HydrophobicContact CG1-CE2 3.77Å
140	S	96.3	Very high	95.4	Very high	65 Å²	65	79 Å²	79	46%	0.455	39%	0.393	S	S	.	.			trans	-109.3	-10.6	-175.6	61.7	0	0	0	0	114.2	Y101 H138 H142 R143 K144	Y101-S140 PolarHBondContact OH-N 2.88Å; H138-S140 PolarHBondContact O-N 2.65Å; H138-S140 VanDerWaalsContact O-N 3.1Å; S140-H142 VanDerWaalsContact C-N 3.27Å; S140-H142 PolarHBondContact O-N 3.31Å; S140-R143 WeakPolarHBondContact O-CB 3.49Å; S140-R143 PolarHBondContact O-N 3.21Å; S140-K144 PolarHBondContact O-N 3.24Å
141	Y	97.5	Very high	95.6	Very high	21 Å²	21	74.8 Å²	74.8	8%	0.082	36%	0.362	C	S	.	.	H	α-helix	trans	-55.9	-41.4	-174.8	-167.4	-87.7	0	0	0	112.7	Y101 I104 D105 Y108 R143 K144 K145 L147	Y101-Y141 PolarHBondContact OH-N 2.83Å; I104-Y141 HydrophobicContact CG2-CD1 3.4Å; I104-Y141 HydrophobicContact CG2-CD2 4.2Å; I104-Y141 HydrophobicContact CG2-CE1 3.49Å; I104-Y141 VanDerWaalsContact CG2-CE1 3.49Å; I104-Y141 HydrophobicContact CG2-CE2 4.28Å; I104-Y141 HydrophobicContact CG2-CG 3.79Å; D105-Y141 WeakPolarHBondContact CA-OH 3.5Å; D105-Y141 HydrophobicContact CB-CE2 3.73Å; D105-Y141 WeakPolarHBondContact OD1-CE2 3.18Å; D105-Y141 PolarHBondContact OD1-OH 2.98Å; Y108-Y141 WeakPolarHBondContact CB-OH 3.15Å; Y108-Y141 WeakPolarHBondContact CD1-OH 3.47Å; Y108-Y141 HydrophobicContact CD2-CE1 4.36Å; Y108-Y141 HydrophobicContact CG-CE1 4.16Å; Y141-R143 VanDerWaalsContact C-N 3.27Å; Y141-R143 PolarHBondContact O-N 2.93Å; Y141-K144 WeakPolarHBondContact O-CB 3.32Å; Y141-K144 PolarHBondContact O-N 2.98Å; Y141-K145 HydrophobicContact CD1-CG 4.14Å; Y141-K145 HydrophobicContact CE1-CB 4.22Å; Y141-K145 HydrophobicContact CE1-CG 3.5Å; Y141-K145 VanDerWaalsContact CE1-CG 3.5Å; Y141-K145 HydrophobicContact CE2-CG 4.5Å; Y141-K145 PolarHBondContact O-N 2.62Å; Y141-K145 VanDerWaalsContact O-N 3.11Å; Y141-K145 WeakPolarHBondContact OH-CE 3.17Å; Y141-L147 HydrophobicContact CE1-CD1 4.48Å
142	H	97	Very high	95.8	Very high	29 Å²	29	70.9 Å²	70.9	13%	0.134	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-36.3	178.1	68.2	-91.4	0	0	0	112.5	L122 V139 S140 K145 C146 L147 Y149	L122-H142 HydrophobicContact CB-CB 4.44Å; L122-H142 HydrophobicContact CD2-CB 3.96Å; V139-H142 PolarHBondContact O-CE1 2.84Å; V139-H142 PolarHBondContact O-ND1 2.97Å; S140-H142 VanDerWaalsContact C-N 3.27Å; S140-H142 PolarHBondContact O-N 3.31Å; H142-K145 CarbonylContact O-C 3.59Å; H142-K145 PolarHBondContact O-N 2.74Å; H142-C146 CarbonylContact O-C 3.58Å; H142-C146 WeakPolarHBondContact O-CA 3.31Å; H142-C146 PolarHBondContact O-N 2.82Å; H142-L147 HydrophobicContact CB-CB 4.18Å; H142-L147 PolarHBondContact O-N 3.43Å; H142-Y149 HydrophobicContact CB-CG 4.5Å; H142-Y149 AromaticContact CE1-CD1 3.74Å; H142-Y149 VanDerWaalsContact CG-CB 3.46Å; H142-Y149 AromaticContact ND1-CD1 3.84Å; H142-Y149 AromaticContact ND1-CG 3.72Å
143	R	96.2	Very high	95.8	Very high	184 Å²	184	67.6 Å²	67.6	69%	0.694	32%	0.322	S	S	*	.	H	α-helix	trans	-68.8	-45.1	176.8	-55.2	-175.3	-177.1	178.9	-3.1	111.1	S140 Y141 K145 C146	S140-R143 WeakPolarHBondContact O-CB 3.49Å; S140-R143 PolarHBondContact O-N 3.21Å; Y141-R143 VanDerWaalsContact C-N 3.27Å; Y141-R143 PolarHBondContact O-N 2.93Å; R143-K145 PolarHBondContact O-N 3.21Å; R143-C146 PolarHBondContact O-N 3.45Å
144	K	95.3	Very high	95.7	Very high	156 Å²	156	62.2 Å²	62.2	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-58.3	-31.9	178.1	-177.7	-179.8	179.5	-177.5	0	112.5	S140 Y141	S140-K144 PolarHBondContact O-N 3.24Å; Y141-K144 WeakPolarHBondContact O-CB 3.32Å; Y141-K144 PolarHBondContact O-N 2.98Å
145	K	95.6	Very high	95.6	Very high	64 Å²	64	66.7 Å²	66.7	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	8.9	-176.4	-63.2	-57.1	-169.8	175.1	0	114.1	Y108 Y141 H142 R143 L147	Y108-K145 HydrophobicContact CD1-CD 4.41Å; Y108-K145 HydrophobicContact CE1-CD 3.8Å; Y108-K145 HydrophobicContact CE1-CG 4.23Å; Y108-K145 HydrophobicContact CE2-CB 4.15Å; Y108-K145 HydrophobicContact CE2-CG 4.31Å; Y141-K145 HydrophobicContact CD1-CG 4.14Å; Y141-K145 HydrophobicContact CE1-CB 4.22Å; Y141-K145 HydrophobicContact CE1-CG 3.5Å; Y141-K145 VanDerWaalsContact CE1-CG 3.5Å; Y141-K145 HydrophobicContact CE2-CG 4.5Å; Y141-K145 PolarHBondContact O-N 2.62Å; Y141-K145 VanDerWaalsContact O-N 3.11Å; Y141-K145 WeakPolarHBondContact OH-CE 3.17Å; H142-K145 CarbonylContact O-C 3.59Å; H142-K145 PolarHBondContact O-N 2.74Å; R143-K145 PolarHBondContact O-N 3.21Å; K145-L147 VanDerWaalsContact C-N 3.27Å; K145-L147 HydrophobicContact CB-CD1 4.03Å; K145-L147 HydrophobicContact CB-CD2 4.43Å; K145-L147 HydrophobicContact CB-CG 3.8Å; K145-L147 PolarHBondContact O-N 2.85Å
146	C	95.2	Very high	95.6	Very high	120 Å²	120	65.2 Å²	65.2	81%	0.811	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.7	-176.9	-57.1	0	0	0	0	113.5	H142 R143	H142-C146 CarbonylContact O-C 3.58Å; H142-C146 WeakPolarHBondContact O-CA 3.31Å; H142-C146 PolarHBondContact O-N 2.82Å; R143-C146 PolarHBondContact O-N 3.45Å
147	L	97.5	Very high	95.3	Very high	15 Å²	15	65.9 Å²	65.9	8%	0.079	32%	0.315	C	S	.	.			trans	-96.8	148.7	178	-54.1	-178.5	0	0	0	110.7	Y108 I120 Y141 H142 K145	Y108-L147 HydrophobicContact CD2-CD1 4.02Å; Y108-L147 HydrophobicContact CE2-CD1 4.06Å; Y108-L147 HydrophobicContact CE2-CD2 4.15Å; I120-L147 HydrophobicContact CB-CD2 4Å; I120-L147 HydrophobicContact CG2-CD1 4.23Å; I120-L147 HydrophobicContact CG2-CD2 4.4Å; Y141-L147 HydrophobicContact CE1-CD1 4.48Å; H142-L147 HydrophobicContact CB-CB 4.18Å; H142-L147 PolarHBondContact O-N 3.43Å; K145-L147 VanDerWaalsContact C-N 3.27Å; K145-L147 HydrophobicContact CB-CD1 4.03Å; K145-L147 HydrophobicContact CB-CD2 4.43Å; K145-L147 HydrophobicContact CB-CG 3.8Å; K145-L147 PolarHBondContact O-N 2.85Å
148	Q	97.8	Very high	95.1	Very high	64 Å²	64	61 Å²	61	30%	0.299	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.9	164.1	-176.3	60.7	45.2	0	0	109.4	V121 L122 Y150 Y166	V121-Q148 HydrophobicContact CG2-CB 4.37Å; L122-Q148 PolarHBondContact N-O 3.39Å; Q148-Y150 HydrophobicContact CG-CD2 4.19Å; Q148-Y150 HydrophobicContact CG-CE1 4.41Å; Q148-Y150 HydrophobicContact CG-CE2 3.46Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.46Å; Q148-Y166 HydrophobicContact CB-CD1 4.07Å; Q148-Y166 HydrophobicContact CB-CD2 3.9Å; Q148-Y166 HydrophobicContact CB-CE1 3.7Å; Q148-Y166 HydrophobicContact CB-CE2 3.53Å; Q148-Y166 HydrophobicContact CB-CG 4.14Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.42Å; Q148-Y166 HydrophobicContact CG-CD1 4.32Å; Q148-Y166 HydrophobicContact CG-CD2 3.66Å; Q148-Y166 HydrophobicContact CG-CE1 4.41Å; Q148-Y166 HydrophobicContact CG-CE2 3.78Å; Q148-Y166 HydrophobicContact CG-CG 3.94Å
149	Y	98.1	Very high	94.8	Very high	33 Å²	33	58.7 Å²	58.7	13%	0.129	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137	177.6	172.7	-120.8	0	0	0	111.1	F93 L122 V139 H142 E151	F93-Y149 AromaticContact CE1-CE2 3.81Å; F93-Y149 HydrophobicContact CE1-CE2 3.81Å; F93-Y149 AromaticContact CZ-CE2 3.98Å; F93-Y149 HydrophobicContact CZ-CE2 3.98Å; L122-Y149 HydrophobicContact CB-CD2 4.16Å; L122-Y149 HydrophobicContact CD2-CD2 3.98Å; L122-Y149 HydrophobicContact CD2-CE2 4.48Å; L122-Y149 HydrophobicContact CG-CD2 3.95Å; L122-Y149 HydrophobicContact CG-CE2 4.48Å; L122-Y149 VanDerWaalsContact O-CA 3.3Å; L122-Y149 WeakPolarHBondContact O-CA 3.44Å; L122-Y149 WeakPolarHBondContact O-CD2 3.39Å; V139-Y149 HydrophobicContact CB-CE1 4.29Å; V139-Y149 HydrophobicContact CG1-CD2 4.29Å; V139-Y149 HydrophobicContact CG1-CE1 4.03Å; V139-Y149 HydrophobicContact CG1-CE2 3.77Å; H142-Y149 HydrophobicContact CB-CG 4.5Å; H142-Y149 AromaticContact CE1-CD1 3.74Å; H142-Y149 VanDerWaalsContact CG-CB 3.46Å; H142-Y149 AromaticContact ND1-CD1 3.84Å; H142-Y149 AromaticContact ND1-CG 3.72Å; Y149-E151 HydrophobicContact CE1-CG 3.88Å; Y149-E151 HydrophobicContact CE2-CG 4.38Å; Y149-E151 VanDerWaalsContact CZ-CG 3.5Å; Y149-E151 WeakPolarHBondContact OH-CG 3.44Å; Y149-E151 PolarHBondContact OH-OE1 3.22Å
150	Y	98	Very high	94.5	Very high	47 Å²	47	59.7 Å²	59.7	18%	0.184	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.6	168.7	-63.6	-63.2	0	0	0	110.9	V121 L122 C123 G124 Q148 K162 P163	V121-Y150 HydrophobicContact CG1-CD2 3.71Å; V121-Y150 HydrophobicContact CG1-CE2 4.17Å; L122-Y150 PolarHBondContact O-N 2.69Å; C123-Y150 WeakPolarHBondContact CA-O 3.29Å; G124-Y150 PolarHBondContact N-O 3.34Å; Q148-Y150 HydrophobicContact CG-CD2 4.19Å; Q148-Y150 HydrophobicContact CG-CE1 4.41Å; Q148-Y150 HydrophobicContact CG-CE2 3.46Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.46Å; Y150-K162 HydrophobicContact CD1-CB 4.14Å; Y150-K162 HydrophobicContact CD1-CD 4.14Å; Y150-K162 HydrophobicContact CD2-CB 4.13Å; Y150-K162 HydrophobicContact CE1-CB 4.05Å; Y150-K162 HydrophobicContact CE1-CD 4.03Å; Y150-K162 HydrophobicContact CE2-CB 4.03Å; Y150-K162 HydrophobicContact CG-CB 4.19Å; Y150-P163 HydrophobicContact CD2-CB 4.49Å; Y150-P163 HydrophobicContact CD2-CG 4.04Å
151	E	97.4	Very high	94.4	Very high	42 Å²	42	61.3 Å²	61.3	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.4	161.2	-81.4	-171.1	-167.9	0	0	109	G124 V127 R132 Y149 N159	G124-E151 WeakPolarHBondContact O-CA 3.49Å; V127-E151 HydrophobicContact CG1-CB 3.8Å; V127-E151 HydrophobicContact CG1-CG 4.06Å; R132-E151 IonicContact CZ-OE1 2.83Å; R132-E151 IonicContact CZ-OE2 3.52Å; R132-E151 IonicContact NH1-OE1 2.7Å; R132-E151 IonicContact NH1-OE2 3.54Å; R132-E151 PolarHBondContact NH1-OE2 3.01Å; R132-E151 VanDerWaalsContact NH2-CD 3.28Å; R132-E151 IonicContact NH2-OE1 2.9Å; R132-E151 PolarHBondContact NH2-OE1 3.29Å; R132-E151 IonicContact NH2-OE2 2.66Å; R132-E151 PolarHBondContact NH2-OE2 3.25Å; Y149-E151 HydrophobicContact CE1-CG 3.88Å; Y149-E151 HydrophobicContact CE2-CG 4.38Å; Y149-E151 VanDerWaalsContact CZ-CG 3.5Å; Y149-E151 WeakPolarHBondContact OH-CG 3.44Å; Y149-E151 PolarHBondContact OH-OE1 3.22Å; E151-N159 WeakPolarHBondContact O-CB 3.39Å; E151-N159 PolarHBondContact O-ND2 3.02Å
152	M	97	Very high	94.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.313	C	S	.	.			trans	-147.6	160.6	-172.7	55.8	174.9	-70.3	0	0	112.2	F29 M92 C123 G124 N125 K126 V127 C158 N159 P163	F29-M152 HydrophobicContact CD2-CE 3.13Å; F29-M152 HydrophobicContact CE2-CE 3.08Å; F29-M152 HydrophobicContact CE2-SD 4.19Å; F29-M152 HydrophobicContact CG-CE 3.89Å; F29-M152 HydrophobicContact CZ-CE 3.86Å; F29-M152 HydrophobicContact CZ-SD 4.47Å; M92-M152 HydrophobicContact CE-CE 3.93Å; M92-M152 HydrophobicContact CE-SD 3.93Å; C123-M152 HydrophobicContact CB-CG 4.33Å; C123-M152 HydrophobicContact CB-SD 3.62Å; G124-M152 PolarHBondContact O-N 3.06Å; N125-M152 CarbonylContact C-O 3.48Å; N125-M152 VanDerWaalsContact CA-O 3.3Å; N125-M152 WeakPolarHBondContact CA-O 3.49Å; N125-M152 HydrophobicContact CB-CG 4.27Å; N125-M152 PolarHBondContact OD1-O 3.27Å; K126-M152 PolarHBondContact N-O 2.9Å; K126-M152 VanDerWaalsContact N-O 3.09Å; V127-M152 WeakPolarHBondContact CG2-O 3.22Å; V127-M152 PolarHBondContact N-O 2.92Å; M152-C158 VanDerWaalsContact CA-O 3.24Å; M152-C158 WeakPolarHBondContact CA-O 3.26Å; M152-C158 VanDerWaalsContact CB-O 3.29Å; M152-C158 WeakPolarHBondContact CB-O 3.4Å; M152-N159 HydrophobicContact CB-CB 4.29Å; M152-P163 HydrophobicContact SD-CG 4.4Å
153	S	96.3	Very high	94.5	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.007	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-131.7	110.8	169.8	173	0	0	0	0	108.6	D128 K155 N156 N157 C158	D128-S153 VanDerWaalsContact OD1-CB 3.23Å; D128-S153 WeakPolarHBondContact OD1-CB 3.37Å; D128-S153 PolarHBondContact OD1-OG 2.94Å; S153-K155 PolarHBondContact O-N 3.1Å; S153-K155 PolarHBondContact OG-N 3.06Å; S153-K155 VanDerWaalsContact OG-N 3.09Å; S153-N156 PolarHBondContact O-N 3Å; S153-N156 PolarHBondContact OG-N 3.33Å; S153-N157 PolarHBondContact O-N 3.44Å; S153-N157 VanDerWaalsContact O-N 3.12Å; S153-C158 PolarHBondContact N-O 3.4Å; S153-C158 VanDerWaalsContact N-O 3.08Å; S153-C158 PolarHBondContact O-N 3.43Å
154	A	93.3	Very high	94.6	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.025	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.7	167.2	0	0	0	0	0	112.6	F29 R32 F38 N125 F160	F29-A154 HydrophobicContact CB-CB 4.21Å; F29-A154 HydrophobicContact CD2-CB 4.45Å; R32-A154 WeakPolarHBondContact CD-O 3.46Å; R32-A154 PolarHBondContact NH1-O 2.74Å; F38-A154 WeakPolarHBondContact CD2-O 3.5Å; N125-A154 PolarHBondContact OD1-N 3.42Å; N125-A154 VanDerWaalsContact OD1-N 3.09Å; A154-F160 HydrophobicContact CB-CE2 4.41Å
155	K	92.5	Very high	94.8	Very high	99 Å²	99	49.2 Å²	49.2	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-35.5	176.6	-170.1	-173.5	176.7	-177.3	0	113.1	R32 F38 D128 S153	R32-K155 PolarHBondContact NH1-O 3.48Å; R32-K155 PolarHBondContact NH2-O 3.43Å; F38-K155 HydrophobicContact CD1-CG 4.37Å; F38-K155 HydrophobicContact CD2-CB 4.32Å; F38-K155 HydrophobicContact CD2-CG 4.45Å; F38-K155 HydrophobicContact CE1-CG 4.17Å; F38-K155 HydrophobicContact CE2-CB 3.91Å; F38-K155 HydrophobicContact CE2-CG 4.23Å; F38-K155 HydrophobicContact CZ-CB 4.11Å; F38-K155 HydrophobicContact CZ-CG 4.09Å; D128-K155 VanDerWaalsContact OD2-CD 3.29Å; D128-K155 WeakPolarHBondContact OD2-CD 3.46Å; S153-K155 PolarHBondContact O-N 3.1Å; S153-K155 PolarHBondContact OG-N 3.06Å; S153-K155 VanDerWaalsContact OG-N 3.09Å
156	N	91.5	Very high	94.9	Very high	102 Å²	102	48.4 Å²	48.4	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	14.6	-174	-64.8	1.2	0	0	0	113	D128 S153 C158	D128-N156 WeakPolarHBondContact CB-ND2 3.42Å; S153-N156 PolarHBondContact O-N 3Å; S153-N156 PolarHBondContact OG-N 3.33Å; N156-C158 PolarHBondContact O-N 3.18Å
157	N	85.5	Confident	95.1	Very high	84 Å²	84	42.7 Å²	42.7	45%	0.449	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	23.9	-174.8	-67.1	-11.6	0	0	0	114.3	R32 S153 N159 F160	R32-N157 PolarHBondContact NE-OD1 3.15Å; R32-N157 PolarHBondContact NH2-OD1 2.99Å; S153-N157 PolarHBondContact O-N 3.44Å; S153-N157 VanDerWaalsContact O-N 3.12Å; N157-N159 PolarHBondContact O-N 3.04Å; N157-F160 HydrophobicContact CB-CB 4.45Å
158	C	88.2	Confident	95.1	Very high	52 Å²	52	42.1 Å²	42.1	35%	0.351	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-75.1	121.5	-179.9	-179.6	0	0	0	0	110.1	M152 S153 N156 F160	M152-C158 VanDerWaalsContact CA-O 3.24Å; M152-C158 WeakPolarHBondContact CA-O 3.26Å; M152-C158 VanDerWaalsContact CB-O 3.29Å; M152-C158 WeakPolarHBondContact CB-O 3.4Å; S153-C158 PolarHBondContact N-O 3.4Å; S153-C158 VanDerWaalsContact N-O 3.08Å; S153-C158 PolarHBondContact O-N 3.43Å; N156-C158 PolarHBondContact O-N 3.18Å; C158-F160 PolarHBondContact O-N 3.23Å
159	N	88.8	Confident	95.1	Very high	49 Å²	49	43.4 Å²	43.4	26%	0.262	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	31.3	-178.2	-64	-38.7	0	0	0	113.9	E151 M152 N157 E161 K162 P163	E151-N159 WeakPolarHBondContact O-CB 3.39Å; E151-N159 PolarHBondContact O-ND2 3.02Å; M152-N159 HydrophobicContact CB-CB 4.29Å; N157-N159 PolarHBondContact O-N 3.04Å; N159-E161 PolarHBondContact O-N 2.9Å; N159-K162 HydrophobicContact CB-CD 4.02Å; N159-K162 HydrophobicContact CB-CG 4.4Å; N159-K162 PolarHBondContact O-N 3.33Å; N159-K162 VanDerWaalsContact OD1-CD 3.31Å; N159-K162 WeakPolarHBondContact OD1-CD 3.17Å; N159-K162 WeakPolarHBondContact OD1-CE 3.1Å; N159-K162 PolarHBondContact OD1-NZ 2.95Å; N159-P163 WeakPolarHBondContact O-CD 3.43Å
160	F	89.7	Confident	95.2	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.105	23%	0.228	C	C	.	.			trans	-60.3	-47.6	-168.4	-159.1	-126.8	0	0	0	113.2	F29 R32 H33 A154 N157 C158	F29-F160 AromaticContact CD2-CD2 3.78Å; F29-F160 HydrophobicContact CD2-CD2 3.78Å; F29-F160 AromaticContact CD2-CE2 3.49Å; F29-F160 HydrophobicContact CD2-CE2 3.49Å; F29-F160 VanDerWaalsContact CD2-CE2 3.49Å; F29-F160 HydrophobicContact CD2-CZ 4.34Å; F29-F160 AromaticContact CE2-CD2 3.72Å; F29-F160 HydrophobicContact CE2-CD2 3.72Å; F29-F160 AromaticContact CE2-CE2 3.86Å; F29-F160 HydrophobicContact CE2-CE2 3.86Å; F29-F160 HydrophobicContact CE2-CG 4.42Å; F29-F160 WeakPolarHBondContact CE2-O 3.39Å; F29-F160 WeakPolarHBondContact CZ-O 3.26Å; R32-F160 HydrophobicContact CB-CE2 4.38Å; R32-F160 HydrophobicContact CB-CZ 3.73Å; R32-F160 HydrophobicContact CG-CE1 4.3Å; R32-F160 HydrophobicContact CG-CE2 4.33Å; R32-F160 HydrophobicContact CG-CZ 3.63Å; H33-F160 HydrophobicContact CB-CE1 4.23Å; H33-F160 HydrophobicContact CB-CZ 4.38Å; H33-F160 AromaticContact CD2-CD1 3.84Å; H33-F160 AromaticContact CD2-CE1 3.61Å; H33-F160 AromaticContact CE1-CD1 3.15Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.29Å; H33-F160 AromaticContact CE1-CD2 3.5Å; H33-F160 AromaticContact CE1-CE1 3.1Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.36Å; H33-F160 AromaticContact CE1-CE2 3.44Å; H33-F160 VanDerWaalsContact CE1-CE2 3.44Å; H33-F160 WeakPolarHBondContact CE1-CE2 3.16Å; H33-F160 AromaticContact CE1-CG 3.34Å; H33-F160 WeakPolarHBondContact CE1-CG 3.47Å; H33-F160 AromaticContact CE1-CZ 3.22Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.22Å; H33-F160 PolarHBondContact CE1-O 3.4Å; H33-F160 AromaticContact CG-CE1 3.45Å; H33-F160 VanDerWaalsContact CG-CE1 3.45Å; H33-F160 AromaticContact CG-CZ 3.71Å; H33-F160 AromaticContact ND1-CD1 3.75Å; H33-F160 AromaticContact ND1-CE1 3.17Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.34Å; H33-F160 AromaticContact ND1-CE2 3.55Å; H33-F160 AromaticContact ND1-CZ 3.02Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.02Å; H33-F160 AromaticContact NE2-CD1 3.24Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.48Å; H33-F160 AromaticContact NE2-CE1 3.43Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.38Å; H33-F160 AromaticContact NE2-CG 3.71Å; H33-F160 PolarHBondContact NE2-O 3.27Å; A154-F160 HydrophobicContact CB-CE2 4.41Å; N157-F160 HydrophobicContact CB-CB 4.45Å; C158-F160 PolarHBondContact O-N 3.23Å
161	E	95.1	Very high	95.1	Very high	99 Å²	99	49.4 Å²	49.4	46%	0.463	23%	0.231	S	C	.	.	S	Bend	trans	-90.4	-14.8	-177.2	-62.8	-176.1	159.5	0	0	114.4	N159 P163 F164 L165 F179	N159-E161 PolarHBondContact O-N 2.9Å; E161-P163 VanDerWaalsContact C-CD 3.47Å; E161-F164 PolarHBondContact O-N 2.58Å; E161-L165 PolarHBondContact O-N 3.31Å; E161-F179 HydrophobicContact CB-CD2 4.12Å; E161-F179 HydrophobicContact CB-CE2 4.13Å
162	K	97.4	Very high	95	Very high	103 Å²	103	50.3 Å²	50.3	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-55.3	-41.3	-173.9	-71.7	-170.8	179.9	167.8	0	113.6	Y150 N159 Y166	Y150-K162 HydrophobicContact CD1-CB 4.14Å; Y150-K162 HydrophobicContact CD1-CD 4.14Å; Y150-K162 HydrophobicContact CD2-CB 4.13Å; Y150-K162 HydrophobicContact CE1-CB 4.05Å; Y150-K162 HydrophobicContact CE1-CD 4.03Å; Y150-K162 HydrophobicContact CE2-CB 4.03Å; Y150-K162 HydrophobicContact CG-CB 4.19Å; N159-K162 HydrophobicContact CB-CD 4.02Å; N159-K162 HydrophobicContact CB-CG 4.4Å; N159-K162 PolarHBondContact O-N 3.33Å; N159-K162 VanDerWaalsContact OD1-CD 3.31Å; N159-K162 WeakPolarHBondContact OD1-CD 3.17Å; N159-K162 WeakPolarHBondContact OD1-CE 3.1Å; N159-K162 PolarHBondContact OD1-NZ 2.95Å; K162-Y166 WeakPolarHBondContact O-CB 3.17Å; K162-Y166 PolarHBondContact O-N 3.06Å
163	P	98.4	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-46.1	173.8	-24.7	35.1	0	0	0	112.7	I90 V121 C123 Y150 M152 N159 E161 Y166 L167	I90-P163 HydrophobicContact CD1-CB 3.88Å; I90-P163 HydrophobicContact CG1-CB 4.44Å; V121-P163 HydrophobicContact CG1-CB 4.12Å; C123-P163 VanDerWaalsContact SG-CG 3.55Å; Y150-P163 HydrophobicContact CD2-CB 4.49Å; Y150-P163 HydrophobicContact CD2-CG 4.04Å; M152-P163 HydrophobicContact SD-CG 4.4Å; N159-P163 WeakPolarHBondContact O-CD 3.43Å; E161-P163 VanDerWaalsContact C-CD 3.47Å; P163-Y166 PolarHBondContact O-N 3.25Å; P163-L167 VanDerWaalsContact O-CG 3.3Å; P163-L167 WeakPolarHBondContact O-CG 3.44Å; P163-L167 PolarHBondContact O-N 3.05Å
164	F	98.6	Very high	95	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-45.5	-179.7	-66.6	-76.9	0	0	0	111.9	L16 F29 L30 H33 L53 F55 F64 I90 E161 Y166 L167 A168 F179	L16-F164 HydrophobicContact CD1-CD1 3.78Å; L16-F164 HydrophobicContact CD1-CE1 3.68Å; F29-F164 HydrophobicContact CE1-CD2 4.47Å; F29-F164 AromaticContact CE1-CE2 3.42Å; F29-F164 HydrophobicContact CE1-CE2 3.42Å; F29-F164 VanDerWaalsContact CE1-CE2 3.42Å; F29-F164 AromaticContact CE1-CZ 3.61Å; F29-F164 HydrophobicContact CE1-CZ 3.61Å; F29-F164 HydrophobicContact CE2-CE2 4.25Å; F29-F164 HydrophobicContact CZ-CD2 4.04Å; F29-F164 AromaticContact CZ-CE2 3.27Å; F29-F164 HydrophobicContact CZ-CE2 3.27Å; F29-F164 AromaticContact CZ-CZ 3.99Å; F29-F164 HydrophobicContact CZ-CZ 3.99Å; L30-F164 HydrophobicContact CD2-CZ 4.03Å; H33-F164 AromaticContact CD2-CE2 3.86Å; H33-F164 AromaticContact CE1-CE2 3.5Å; H33-F164 AromaticContact ND1-CE2 3.82Å; H33-F164 AromaticContact NE2-CD2 3.69Å; H33-F164 AromaticContact NE2-CE2 3.48Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.21Å; L53-F164 HydrophobicContact CD1-CE1 3.99Å; L53-F164 HydrophobicContact CD1-CE2 4.37Å; L53-F164 HydrophobicContact CD1-CZ 3.62Å; F55-F164 HydrophobicContact CE1-CB 4.23Å; F55-F164 HydrophobicContact CE1-CD2 4.39Å; F55-F164 HydrophobicContact CE1-CG 4.32Å; F55-F164 HydrophobicContact CE2-CB 4.23Å; F55-F164 AromaticContact CE2-CD1 3.89Å; F55-F164 HydrophobicContact CE2-CD1 3.89Å; F55-F164 HydrophobicContact CE2-CE1 4.35Å; F55-F164 AromaticContact CE2-CG 3.99Å; F55-F164 HydrophobicContact CE2-CG 3.99Å; F55-F164 HydrophobicContact CZ-CB 3.87Å; F55-F164 AromaticContact CZ-CD1 3.91Å; F55-F164 HydrophobicContact CZ-CD1 3.91Å; F55-F164 AromaticContact CZ-CD2 3.74Å; F55-F164 HydrophobicContact CZ-CD2 3.74Å; F55-F164 HydrophobicContact CZ-CE1 4.35Å; F55-F164 HydrophobicContact CZ-CE2 4.19Å; F55-F164 AromaticContact CZ-CG 3.57Å; F55-F164 HydrophobicContact CZ-CG 3.57Å; F55-F164 HydrophobicContact CZ-CZ 4.49Å; F64-F164 HydrophobicContact CD2-CB 4.46Å; F64-F164 AromaticContact CD2-CD1 3.64Å; F64-F164 HydrophobicContact CD2-CD1 3.64Å; F64-F164 HydrophobicContact CD2-CE1 4.39Å; F64-F164 HydrophobicContact CD2-CG 4.49Å; F64-F164 HydrophobicContact CE2-CB 4.13Å; F64-F164 HydrophobicContact CE2-CD1 4.02Å; F64-F164 HydrophobicContact CG-CD1 4.2Å; I90-F164 HydrophobicContact CD1-CE1 4.43Å; I90-F164 HydrophobicContact CD1-CZ 4.44Å; E161-F164 PolarHBondContact O-N 2.58Å; F164-Y166 VanDerWaalsContact C-N 3.34Å; F164-Y166 PolarHBondContact O-N 2.84Å; F164-L167 PolarHBondContact O-N 3.22Å; F164-L167 VanDerWaalsContact O-N 3.16Å; F164-A168 WeakPolarHBondContact O-CB 3.15Å; F164-A168 PolarHBondContact O-N 2.84Å; F164-F179 HydrophobicContact CB-CE2 3.96Å; F164-F179 HydrophobicContact CB-CZ 3.91Å
165	L	98.3	Very high	95.2	Very high	33 Å²	33	59.2 Å²	59.2	17%	0.173	32%	0.32	C	S	.	.	H	α-helix	trans	-62.2	-41.8	178.7	179.9	59.1	0	0	0	111.8	E161 A168 R169 L177 F179	E161-L165 PolarHBondContact O-N 3.31Å; L165-A168 PolarHBondContact O-N 3.04Å; L165-R169 HydrophobicContact CD1-CG 4.4Å; L165-R169 VanDerWaalsContact O-CG 3.29Å; L165-R169 WeakPolarHBondContact O-CG 3.38Å; L165-R169 PolarHBondContact O-N 3.08Å; L165-L177 HydrophobicContact CD1-CD2 3.76Å; L165-F179 HydrophobicContact CB-CD2 4.21Å; L165-F179 HydrophobicContact CB-CE2 3.84Å; L165-F179 HydrophobicContact CB-CZ 4.02Å; L165-F179 HydrophobicContact CD1-CD1 3.9Å; L165-F179 HydrophobicContact CD1-CE1 4Å; L165-F179 HydrophobicContact CD1-CG 4.18Å; L165-F179 HydrophobicContact CD1-CZ 4.36Å
166	Y	98.6	Very high	95.4	Very high	47 Å²	47	62.5 Å²	62.5	18%	0.184	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-47.5	173.8	172.1	-89	0	0	0	111.2	V121 Q148 K162 P163 F164 R169 R170	V121-Y166 HydrophobicContact CG2-CD1 3.17Å; V121-Y166 HydrophobicContact CG2-CE1 3.65Å; V121-Y166 HydrophobicContact CG2-CG 4.05Å; Q148-Y166 HydrophobicContact CB-CD1 4.07Å; Q148-Y166 HydrophobicContact CB-CD2 3.9Å; Q148-Y166 HydrophobicContact CB-CE1 3.7Å; Q148-Y166 HydrophobicContact CB-CE2 3.53Å; Q148-Y166 HydrophobicContact CB-CG 4.14Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.42Å; Q148-Y166 HydrophobicContact CG-CD1 4.32Å; Q148-Y166 HydrophobicContact CG-CD2 3.66Å; Q148-Y166 HydrophobicContact CG-CE1 4.41Å; Q148-Y166 HydrophobicContact CG-CE2 3.78Å; Q148-Y166 HydrophobicContact CG-CG 3.94Å; K162-Y166 WeakPolarHBondContact O-CB 3.17Å; K162-Y166 PolarHBondContact O-N 3.06Å; P163-Y166 PolarHBondContact O-N 3.25Å; F164-Y166 VanDerWaalsContact C-N 3.34Å; F164-Y166 PolarHBondContact O-N 2.84Å; Y166-R169 PolarHBondContact O-N 3.46Å; Y166-R170 HydrophobicContact CD1-CG 4.12Å; Y166-R170 HydrophobicContact CD2-CG 4.48Å; Y166-R170 HydrophobicContact CE1-CG 3.69Å; Y166-R170 HydrophobicContact CE2-CG 4.07Å; Y166-R170 VanDerWaalsContact O-CG 3.29Å; Y166-R170 WeakPolarHBondContact O-CG 3.34Å; Y166-R170 PolarHBondContact O-N 3.39Å
167	L	98.7	Very high	95.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-43	-179.7	-70.2	176.2	0	0	0	111.8	L16 F64 C88 I90 P119 V121 P163 F164 R169 R170 I171	L16-L167 HydrophobicContact CD1-CD1 3.65Å; L16-L167 HydrophobicContact CG-CD1 4.35Å; F64-L167 HydrophobicContact CZ-CB 4.2Å; C88-L167 HydrophobicContact CB-CB 4.36Å; C88-L167 HydrophobicContact CB-CD1 4.08Å; C88-L167 HydrophobicContact CB-CD2 3.79Å; C88-L167 HydrophobicContact CB-CG 4.28Å; I90-L167 HydrophobicContact CD1-CD1 4.31Å; I90-L167 HydrophobicContact CG1-CD1 3.82Å; P119-L167 HydrophobicContact CB-CD2 3.85Å; P119-L167 HydrophobicContact CG-CD2 4.14Å; V121-L167 HydrophobicContact CG2-CD1 4.39Å; V121-L167 HydrophobicContact CG2-CD2 3.76Å; V121-L167 HydrophobicContact CG2-CG 3.82Å; P163-L167 VanDerWaalsContact O-CG 3.3Å; P163-L167 WeakPolarHBondContact O-CG 3.44Å; P163-L167 PolarHBondContact O-N 3.05Å; F164-L167 PolarHBondContact O-N 3.22Å; F164-L167 VanDerWaalsContact O-N 3.16Å; L167-R169 PolarHBondContact O-N 2.98Å; L167-R170 PolarHBondContact O-N 3.35Å; L167-I171 WeakPolarHBondContact O-CG1 3.48Å; L167-I171 PolarHBondContact O-N 3.11Å
168	A	98.4	Very high	96.3	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-48.1	176.6	0	0	0	0	0	111.3	I62 F64 F164 L165 R170 I171 A172 L177 F179	I62-A168 HydrophobicContact CD1-CB 3.75Å; F64-A168 HydrophobicContact CE2-CB 4.29Å; F64-A168 HydrophobicContact CZ-CB 4.02Å; F164-A168 WeakPolarHBondContact O-CB 3.15Å; F164-A168 PolarHBondContact O-N 2.84Å; L165-A168 PolarHBondContact O-N 3.04Å; A168-R170 VanDerWaalsContact C-N 3.32Å; A168-R170 PolarHBondContact O-N 3.49Å; A168-I171 PolarHBondContact O-N 3.29Å; A168-A172 VanDerWaalsContact O-CB 3.26Å; A168-A172 WeakPolarHBondContact O-CB 3.3Å; A168-A172 PolarHBondContact O-N 2.95Å; A168-L177 HydrophobicContact CB-CD2 3.88Å; A168-F179 HydrophobicContact CB-CE1 4.23Å
169	R	98.5	Very high	96.6	Very high	92 Å²	92	55 Å²	55	35%	0.347	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-41.7	175.3	-71.7	173.4	172	166.5	-0.7	112.6	L165 Y166 L167 G173 D174 A175 L177	L165-R169 HydrophobicContact CD1-CG 4.4Å; L165-R169 VanDerWaalsContact O-CG 3.29Å; L165-R169 WeakPolarHBondContact O-CG 3.38Å; L165-R169 PolarHBondContact O-N 3.08Å; Y166-R169 PolarHBondContact O-N 3.46Å; L167-R169 PolarHBondContact O-N 2.98Å; R169-G173 WeakPolarHBondContact O-CA 3.42Å; R169-G173 PolarHBondContact O-N 3.05Å; R169-D174 WeakPolarHBondContact CG-O 3.43Å; R169-D174 PolarHBondContact O-N 2.71Å; R169-A175 PolarHBondContact NE-O 3.24Å; R169-L177 HydrophobicContact CG-CB 4.09Å; R169-L177 HydrophobicContact CG-CD2 4.39Å; R169-L177 VanDerWaalsContact CZ-O 3.24Å; R169-L177 PolarHBondContact NE-O 2.74Å; R169-L177 PolarHBondContact NH2-O 3.09Å
170	R	98.1	Very high	96.9	Very high	160 Å²	160	55.4 Å²	55.4	60%	0.604	30%	0.297	S	S	*	.	H	α-helix	trans	-69.6	-38.1	-179.7	-70.3	-60.5	-61.2	-171.5	-1.4	112.7	P119 Y166 L167 A168	P119-R170 HydrophobicContact CB-CB 3.72Å; P119-R170 HydrophobicContact CB-CG 4.19Å; P119-R170 HydrophobicContact CG-CB 4.03Å; Y166-R170 HydrophobicContact CD1-CG 4.12Å; Y166-R170 HydrophobicContact CD2-CG 4.48Å; Y166-R170 HydrophobicContact CE1-CG 3.69Å; Y166-R170 HydrophobicContact CE2-CG 4.07Å; Y166-R170 VanDerWaalsContact O-CG 3.29Å; Y166-R170 WeakPolarHBondContact O-CG 3.34Å; Y166-R170 PolarHBondContact O-N 3.39Å; L167-R170 PolarHBondContact O-N 3.35Å; A168-R170 VanDerWaalsContact C-N 3.32Å; A168-R170 PolarHBondContact O-N 3.49Å
171	I	97	Very high	96.9	Very high	46 Å²	46	59.6 Å²	59.6	24%	0.236	32%	0.317	C	S	.	.	H	α-helix	trans	-72.6	-45	178	-68.7	162	0	0	0	110.5	F14 F64 C88 P119 L167 A168 G173	F14-I171 HydrophobicContact CB-CD1 4.3Å; F14-I171 HydrophobicContact CD1-CD1 4.42Å; F14-I171 HydrophobicContact CD1-CG2 3.62Å; F14-I171 HydrophobicContact CE1-CG2 3.41Å; F14-I171 VanDerWaalsContact CE1-CG2 3.41Å; F14-I171 HydrophobicContact CG-CD1 4.3Å; F14-I171 HydrophobicContact CG-CG2 4.37Å; F14-I171 HydrophobicContact CZ-CG2 4.01Å; F64-I171 HydrophobicContact CE1-CD1 3.88Å; F64-I171 HydrophobicContact CZ-CD1 4.49Å; C88-I171 HydrophobicContact CB-CD1 3.8Å; C88-I171 HydrophobicContact CB-CG1 4.5Å; P119-I171 HydrophobicContact CG-CG1 4.06Å; L167-I171 WeakPolarHBondContact O-CG1 3.48Å; L167-I171 PolarHBondContact O-N 3.11Å; A168-I171 PolarHBondContact O-N 3.29Å; I171-G173 VanDerWaalsContact C-N 3.3Å; I171-G173 PolarHBondContact O-N 3.22Å
172	A	95.3	Very high	96.4	Very high	60 Å²	60	56.3 Å²	56.3	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-74	-19.6	-178.7	0	0	0	0	0	113.6	A168 D174 L177	A168-A172 VanDerWaalsContact O-CB 3.26Å; A168-A172 WeakPolarHBondContact O-CB 3.3Å; A168-A172 PolarHBondContact O-N 2.95Å; A172-D174 HydrophobicContact CB-CB 4.37Å; A172-D174 PolarHBondContact O-N 3.03Å; A172-L177 HydrophobicContact CB-CD1 3.97Å
173	G	96.5	Very high	95.4	Very high	70 Å²	70	53.3 Å²	53.3	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	15	-171	0	0	0	0	0	113.6	R169 I171	R169-G173 WeakPolarHBondContact O-CA 3.42Å; R169-G173 PolarHBondContact O-N 3.05Å; I171-G173 VanDerWaalsContact C-N 3.3Å; I171-G173 PolarHBondContact O-N 3.22Å
174	D	97.3	Very high	94.4	Very high	37 Å²	37	56.6 Å²	56.6	20%	0.198	31%	0.311	C	S	.	.			trans	-111.3	103.9	-179.2	-174.3	-3.3	0	0	0	110.3	R59 R169 A172 K176 L177	R59-D174 IonicContact CZ-OD2 2.65Å; R59-D174 IonicContact NE-OD2 3.18Å; R59-D174 PolarHBondContact NE-OD2 2.99Å; R59-D174 IonicContact NH2-OD2 3.93Å; R59-D174 PolarHBondContact NH2-OD2 2.9Å; R169-D174 WeakPolarHBondContact CG-O 3.43Å; R169-D174 PolarHBondContact O-N 2.71Å; A172-D174 HydrophobicContact CB-CB 4.37Å; A172-D174 PolarHBondContact O-N 3.03Å; D174-K176 PolarHBondContact O-N 2.99Å; D174-K176 WeakPolarHBondContact OD1-CA 3.29Å; D174-K176 WeakPolarHBondContact OD1-CB 3.24Å; D174-K176 PolarHBondContact OD1-N 3.27Å; D174-L177 HydrophobicContact CB-CB 4.14Å; D174-L177 WeakPolarHBondContact O-CB 3.32Å; D174-L177 PolarHBondContact O-N 2.86Å; D174-L177 PolarHBondContact OD1-N 3.33Å
175	A	96.5	Very high	93.4	Very high	84 Å²	84	58.1 Å²	58.1	69%	0.694	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.3	176.4	0	0	0	0	0	113.4	R169	R169-A175 PolarHBondContact NE-O 3.24Å
176	K	97.2	Very high	92.2	Very high	168 Å²	168	60.9 Å²	60.9	73%	0.73	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.9	178.3	-58.8	-177.6	-179.5	-179.8	0	112.6	N58 D174 S178	N58-K176 PolarHBondContact ND2-O 3.08Å; N58-K176 VanDerWaalsContact ND2-O 3.08Å; D174-K176 PolarHBondContact O-N 2.99Å; D174-K176 WeakPolarHBondContact OD1-CA 3.29Å; D174-K176 WeakPolarHBondContact OD1-CB 3.24Å; D174-K176 PolarHBondContact OD1-N 3.27Å; K176-S178 PolarHBondContact O-N 3.38Å
177	L	97.8	Very high	91.2	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.031	33%	0.328	C	S	.	.			trans	-60	131.3	171.6	-175.3	153.1	0	0	0	109.1	T57 N58 L165 A168 R169 A172 D174 F179	T57-L177 HydrophobicContact CG2-CD2 4.16Å; T57-L177 HydrophobicContact CG2-CG 4.47Å; N58-L177 WeakPolarHBondContact OD1-CA 3.4Å; L165-L177 HydrophobicContact CD1-CD2 3.76Å; A168-L177 HydrophobicContact CB-CD2 3.88Å; R169-L177 HydrophobicContact CG-CB 4.09Å; R169-L177 HydrophobicContact CG-CD2 4.39Å; R169-L177 VanDerWaalsContact CZ-O 3.24Å; R169-L177 PolarHBondContact NE-O 2.74Å; R169-L177 PolarHBondContact NH2-O 3.09Å; A172-L177 HydrophobicContact CB-CD1 3.97Å; D174-L177 HydrophobicContact CB-CB 4.14Å; D174-L177 WeakPolarHBondContact O-CB 3.32Å; D174-L177 PolarHBondContact O-N 2.86Å; D174-L177 PolarHBondContact OD1-N 3.33Å; L177-F179 HydrophobicContact CD2-CD1 4.47Å; L177-F179 HydrophobicContact CD2-CE1 4.37Å
178	S	97.2	Very high	90.2	Very high	40 Å²	40	62 Å²	62	28%	0.28	35%	0.345	S	S	.	.			trans	-135.8	147.1	176.8	58.7	0	0	0	0	109.5	T57 N58 K176	T57-S178 WeakPolarHBondContact CA-O 2.98Å; T57-S178 WeakPolarHBondContact CB-O 3.29Å; N58-S178 PolarHBondContact N-O 3.33Å; N58-S178 VanDerWaalsContact N-O 3.1Å; N58-S178 PolarHBondContact OD1-N 2.94Å; N58-S178 PolarHBondContact OD1-O 3.37Å; K176-S178 PolarHBondContact O-N 3.38Å
179	F	95.9	Very high	89.1	Confident	34 Å²	34	67.8 Å²	67.8	15%	0.149	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-70.9	144.1	165.6	-62.6	-17.9	0	0	0	109.4	F55 F56 T57 I62 E161 F164 L165 A168 L177	F55-F179 HydrophobicContact CB-CD1 4.11Å; F55-F179 HydrophobicContact CB-CE1 3.79Å; F55-F179 HydrophobicContact CB-CE2 4.45Å; F55-F179 HydrophobicContact CB-CZ 3.97Å; F55-F179 AromaticContact CD1-CD2 3.74Å; F55-F179 HydrophobicContact CD1-CD2 3.74Å; F55-F179 HydrophobicContact CD1-CE1 4.2Å; F55-F179 AromaticContact CD1-CE2 3.32Å; F55-F179 HydrophobicContact CD1-CE2 3.32Å; F55-F179 HydrophobicContact CD1-CG 4.33Å; F55-F179 AromaticContact CD1-CZ 3.58Å; F55-F179 HydrophobicContact CD1-CZ 3.58Å; F55-F179 HydrophobicContact CD2-CZ 4.41Å; F55-F179 HydrophobicContact CE1-CD2 4.3Å; F55-F179 AromaticContact CE1-CE2 3.69Å; F55-F179 HydrophobicContact CE1-CE2 3.69Å; F55-F179 HydrophobicContact CE1-CZ 4.16Å; F55-F179 HydrophobicContact CG-CE1 4.09Å; F55-F179 AromaticContact CG-CE2 3.98Å; F55-F179 HydrophobicContact CG-CE2 3.98Å; F55-F179 AromaticContact CG-CZ 3.72Å; F55-F179 HydrophobicContact CG-CZ 3.72Å; F56-F179 CarbonylContact O-C 3.59Å; F56-F179 VanDerWaalsContact O-CA 3.26Å; F56-F179 WeakPolarHBondContact O-CA 3.45Å; T57-F179 HydrophobicContact CG2-CD1 3.94Å; T57-F179 HydrophobicContact CG2-CE1 4.16Å; I62-F179 HydrophobicContact CD1-CE1 4.41Å; E161-F179 HydrophobicContact CB-CD2 4.12Å; E161-F179 HydrophobicContact CB-CE2 4.13Å; F164-F179 HydrophobicContact CB-CE2 3.96Å; F164-F179 HydrophobicContact CB-CZ 3.91Å; L165-F179 HydrophobicContact CB-CD2 4.21Å; L165-F179 HydrophobicContact CB-CE2 3.84Å; L165-F179 HydrophobicContact CB-CZ 4.02Å; L165-F179 HydrophobicContact CD1-CD1 3.9Å; L165-F179 HydrophobicContact CD1-CE1 4Å; L165-F179 HydrophobicContact CD1-CG 4.18Å; L165-F179 HydrophobicContact CD1-CZ 4.36Å; A168-F179 HydrophobicContact CB-CE1 4.23Å; L177-F179 HydrophobicContact CD2-CD1 4.47Å; L177-F179 HydrophobicContact CD2-CE1 4.37Å
180	V	94.4	Very high	88.3	Confident	59 Å²	59	65.8 Å²	65.8	36%	0.358	37%	0.372	S	S	.	.			trans	-129.9	161.4	175.9	-60.9	0	0	0	0	107.4	F56 N58	F56-V180 HydrophobicContact CB-CG2 4.03Å; F56-V180 PolarHBondContact O-N 3.02Å; N58-V180 HydrophobicContact CB-CG1 4.27Å
181	E	88.9	Confident	87.6	Confident	112 Å²	112	62.6 Å²	62.6	52%	0.523	37%	0.366	S	S	.	.			trans	-59.7	155	172.4	-70.8	175.8	-179.9	0	0	110.9	A185 Q186	E181-A185 HydrophobicContact CB-CB 4.22Å; E181-Q186 HydrophobicContact CB-CG 3.89Å
182	S	84.9	Confident	86.8	Confident	30 Å²	30	63.2 Å²	63.2	21%	0.21	37%	0.372	C	S	.	.			trans	-64.6	151.3	174	82.7	0	0	0	0	109.8	F56 E184 A185 Q186	F56-S182 VanDerWaalsContact CD2-CB 3.43Å; S182-E184 WeakPolarHBondContact CB-OE2 3.45Å; S182-E184 PolarHBondContact O-N 3.21Å; S182-E184 VanDerWaalsContact O-N 3.11Å; S182-E184 PolarHBondContact OG-OE2 3.32Å; S182-A185 PolarHBondContact O-N 2.88Å; S182-A185 PolarHBondContact OG-N 3.26Å; S182-Q186 WeakPolarHBondContact O-CG 3.28Å; S182-Q186 PolarHBondContact O-N 3.08Å
183	P	77.7	Confident	86.2	Confident	39 Å²	39	67 Å²	67	25%	0.253	38%	0.38	S	S	.	.	H	α-helix	trans	-51.4	-35.3	175.3	-28.2	35.8	0	0	0	112.7	F56 Q186 I187 L208	F56-P183 VanDerWaalsContact CD1-CD 3.4Å; F56-P183 HydrophobicContact CD1-CG 4.19Å; F56-P183 HydrophobicContact CE1-CG 3.98Å; P183-Q186 PolarHBondContact O-N 3.19Å; P183-I187 WeakPolarHBondContact O-CD1 3.43Å; P183-I187 WeakPolarHBondContact O-CG1 3.48Å; P183-I187 PolarHBondContact O-N 2.75Å; P183-L208 HydrophobicContact CB-CD1 3.66Å
184	E	76.5	Confident	85.6	Confident	69 Å²	69	66 Å²	66	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-40.1	176.8	-54	82	-177	0	0	112.9	S182 Q186 I187 R211	S182-E184 WeakPolarHBondContact CB-OE2 3.45Å; S182-E184 PolarHBondContact O-N 3.21Å; S182-E184 VanDerWaalsContact O-N 3.11Å; S182-E184 PolarHBondContact OG-OE2 3.32Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-I187 WeakPolarHBondContact O-CB 3.32Å; E184-I187 PolarHBondContact O-N 2.95Å; E184-R211 HydrophobicContact CB-CG 4.19Å
185	A	76.7	Confident	84.8	Confident	33 Å²	33	64.2 Å²	64.2	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-72.9	-28.1	177	0	0	0	0	0	112.4	E181 S182 I187 N189	E181-A185 HydrophobicContact CB-CB 4.22Å; S182-A185 PolarHBondContact O-N 2.88Å; S182-A185 PolarHBondContact OG-N 3.26Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-N189 PolarHBondContact O-ND2 3Å
186	Q	75.1	Confident	84	Confident	91 Å²	91	65.5 Å²	65.5	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-35.4	173.6	-68.2	179.9	-37.5	0	0	111.6	E181 S182 P183 E184 D188 N189 L190	E181-Q186 HydrophobicContact CB-CG 3.89Å; S182-Q186 WeakPolarHBondContact O-CG 3.28Å; S182-Q186 PolarHBondContact O-N 3.08Å; P183-Q186 PolarHBondContact O-N 3.19Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; Q186-D188 VanDerWaalsContact C-N 3.31Å; Q186-D188 PolarHBondContact O-N 3.16Å; Q186-N189 PolarHBondContact O-N 3.11Å; Q186-L190 WeakPolarHBondContact O-CG 3.5Å
187	I	77.5	Confident	83.2	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-39.3	178.4	-74.9	161.7	0	0	0	111.8	P183 E184 A185 N189 L190 L195 L198 L208 R211 I212 E215	P183-I187 WeakPolarHBondContact O-CD1 3.43Å; P183-I187 WeakPolarHBondContact O-CG1 3.48Å; P183-I187 PolarHBondContact O-N 2.75Å; E184-I187 WeakPolarHBondContact O-CB 3.32Å; E184-I187 PolarHBondContact O-N 2.95Å; A185-I187 VanDerWaalsContact C-N 3.32Å; I187-N189 PolarHBondContact O-N 2.87Å; I187-L190 PolarHBondContact O-N 3.3Å; I187-L190 VanDerWaalsContact O-N 3.08Å; I187-L195 HydrophobicContact CB-CD2 4.47Å; I187-L195 HydrophobicContact CG2-CD2 3.7Å; I187-L198 HydrophobicContact CG1-CD1 4.4Å; I187-L208 HydrophobicContact CD1-CD1 3.45Å; I187-L208 VanDerWaalsContact CD1-CD1 3.45Å; I187-L208 HydrophobicContact CD1-CG 4.05Å; I187-R211 HydrophobicContact CB-CG 4.4Å; I187-R211 HydrophobicContact CD1-CB 4.26Å; I187-R211 HydrophobicContact CD1-CG 4.05Å; I187-R211 HydrophobicContact CG2-CG 4.08Å; I187-I212 HydrophobicContact CD1-CD1 4.34Å; I187-I212 HydrophobicContact CD1-CG1 3.51Å; I187-I212 HydrophobicContact CG1-CG1 4.05Å; I187-E215 HydrophobicContact CG2-CB 3.79Å; I187-E215 HydrophobicContact CG2-CG 4.09Å
188	D	76.8	Confident	82.2	Confident	66 Å²	66	64.9 Å²	64.9	35%	0.353	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.6	-177.5	-60.8	-3.1	0	0	0	113.4	Q186 R211	Q186-D188 VanDerWaalsContact C-N 3.31Å; Q186-D188 PolarHBondContact O-N 3.16Å; D188-R211 IonicContact OD1-CZ 2.73Å; D188-R211 IonicContact OD1-NE 3.22Å; D188-R211 PolarHBondContact OD1-NE 3.32Å; D188-R211 IonicContact OD1-NH2 2.72Å; D188-R211 PolarHBondContact OD1-NH2 2.82Å; D188-R211 IonicContact OD2-CZ 3.67Å; D188-R211 IonicContact OD2-NH2 3.69Å; D188-R211 PolarHBondContact OD2-NH2 2.99Å
189	N	76.3	Confident	81.1	Confident	124 Å²	124	65 Å²	65	66%	0.663	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	7.7	-178.3	-63.1	-64.6	0	0	0	113.6	A185 Q186 I187	A185-N189 PolarHBondContact O-ND2 3Å; Q186-N189 PolarHBondContact O-N 3.11Å; I187-N189 PolarHBondContact O-N 2.87Å
190	L	80.5	Confident	80.1	Confident	51 Å²	51	69.3 Å²	69.3	27%	0.267	38%	0.375	S	S	.	.			trans	-96.4	147.3	-175.8	-66.2	179	0	0	0	112.4	Q186 I187 L195 L198	Q186-L190 WeakPolarHBondContact O-CG 3.5Å; I187-L190 PolarHBondContact O-N 3.3Å; I187-L190 VanDerWaalsContact O-N 3.08Å; L190-L195 HydrophobicContact CB-CD2 3.89Å; L190-L195 HydrophobicContact CB-CG 3.94Å; L190-L195 HydrophobicContact CD1-CD2 4.13Å; L190-L198 HydrophobicContact CD1-CD1 3.16Å; L190-L198 HydrophobicContact CD1-CG 4.36Å
191	D	82.7	Confident	79	Confident	92 Å²	92	73.2 Å²	73.2	49%	0.492	39%	0.39	S	S	.	.			trans	-79	168.5	168.4	61.5	17.4	0	0	0	111.8	E193 S194 L195	D191-E193 PolarHBondContact O-N 3.23Å; D191-S194 PolarHBondContact O-N 3.35Å; D191-S194 WeakPolarHBondContact OD1-CB 3.38Å; D191-S194 PolarHBondContact OD1-N 3.08Å; D191-S194 PolarHBondContact OD1-OG 3.09Å; D191-L195 WeakPolarHBondContact O-CG 2.98Å; D191-L195 PolarHBondContact O-N 3.42Å
192	V	81	Confident	78	Confident	60 Å²	60	68.2 Å²	68.2	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-56.1	-37.9	-178.4	179.5	0	0	0	0	111.8	Q196 F216 L219	V192-Q196 WeakPolarHBondContact O-CG 3.18Å; V192-Q196 PolarHBondContact O-N 2.72Å; V192-Q196 VanDerWaalsContact O-N 3.08Å; V192-F216 HydrophobicContact CB-CE1 4.48Å; V192-F216 HydrophobicContact CG1-CD1 4.18Å; V192-F216 HydrophobicContact CG1-CE1 3.73Å; V192-F216 WeakPolarHBondContact O-CE1 3.41Å; V192-L219 HydrophobicContact CG2-CB 4.1Å; V192-L219 HydrophobicContact CG2-CD1 4.16Å
193	E	83.3	Confident	77	Confident	140 Å²	140	69.5 Å²	69.5	65%	0.654	39%	0.385	S	S	*	.	H	α-helix	trans	-69.5	-43.5	-179.4	-169.1	173.1	-174.4	0	0	111.6	D191 Q196 L197	D191-E193 PolarHBondContact O-N 3.23Å; E193-Q196 WeakPolarHBondContact O-CB 3.19Å; E193-Q196 PolarHBondContact O-N 2.82Å; E193-L197 PolarHBondContact O-N 3.1Å
194	S	82.8	Confident	76.3	Confident	47 Å²	47	73.7 Å²	73.7	33%	0.329	41%	0.41	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176.3	-58.9	0	0	0	0	112	D191 Q196 L197 L198	D191-S194 PolarHBondContact O-N 3.35Å; D191-S194 WeakPolarHBondContact OD1-CB 3.38Å; D191-S194 PolarHBondContact OD1-N 3.08Å; D191-S194 PolarHBondContact OD1-OG 3.09Å; S194-Q196 VanDerWaalsContact C-N 3.27Å; S194-Q196 PolarHBondContact O-N 2.66Å; S194-L197 PolarHBondContact O-N 2.72Å; S194-L198 PolarHBondContact O-N 3.14Å; S194-L198 VanDerWaalsContact O-N 3.09Å
195	L	80.4	Confident	76	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-35.9	174	-68.2	173.7	0	0	0	111.6	I187 L190 D191 L198 T199 I212 E215 F216 L219	I187-L195 HydrophobicContact CB-CD2 4.47Å; I187-L195 HydrophobicContact CG2-CD2 3.7Å; L190-L195 HydrophobicContact CB-CD2 3.89Å; L190-L195 HydrophobicContact CB-CG 3.94Å; L190-L195 HydrophobicContact CD1-CD2 4.13Å; D191-L195 WeakPolarHBondContact O-CG 2.98Å; D191-L195 PolarHBondContact O-N 3.42Å; L195-L198 PolarHBondContact O-N 2.85Å; L195-T199 PolarHBondContact O-N 2.9Å; L195-I212 HydrophobicContact CB-CG2 4.27Å; L195-I212 HydrophobicContact CD2-CG2 4.19Å; L195-E215 HydrophobicContact CD1-CB 4.19Å; L195-E215 HydrophobicContact CD1-CG 4.33Å; L195-F216 HydrophobicContact CB-CD1 4.37Å; L195-F216 HydrophobicContact CB-CD2 4.06Å; L195-F216 HydrophobicContact CB-CE1 3.79Å; L195-F216 HydrophobicContact CB-CE2 3.44Å; L195-F216 VanDerWaalsContact CB-CE2 3.44Å; L195-F216 HydrophobicContact CB-CG 4.49Å; L195-F216 HydrophobicContact CB-CZ 3.3Å; L195-F216 HydrophobicContact CD1-CD1 4.32Å; L195-F216 HydrophobicContact CD1-CD2 4.44Å; L195-F216 HydrophobicContact CD1-CE1 4.47Å; L195-F216 HydrophobicContact CD1-CG 4.31Å; L195-L219 HydrophobicContact CD1-CD1 3.77Å
196	Q	79.9	Confident	75.8	Confident	112 Å²	112	78.8 Å²	78.8	52%	0.523	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-44.6	179.2	-81.3	179.4	-4.3	0	0	110.3	V192 E193 S194 L198 T199 F216	V192-Q196 WeakPolarHBondContact O-CG 3.18Å; V192-Q196 PolarHBondContact O-N 2.72Å; V192-Q196 VanDerWaalsContact O-N 3.08Å; E193-Q196 WeakPolarHBondContact O-CB 3.19Å; E193-Q196 PolarHBondContact O-N 2.82Å; S194-Q196 VanDerWaalsContact C-N 3.27Å; S194-Q196 PolarHBondContact O-N 2.66Å; Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 3.1Å; Q196-T199 PolarHBondContact O-N 3.11Å; Q196-T199 PolarHBondContact O-OG1 3.13Å; Q196-F216 HydrophobicContact CB-CZ 4.15Å; Q196-F216 HydrophobicContact CG-CE1 3.78Å; Q196-F216 HydrophobicContact CG-CZ 3.47Å; Q196-F216 VanDerWaalsContact CG-CZ 3.47Å; Q196-F216 VanDerWaalsContact N-CZ 3.3Å
197	L	80.2	Confident	75.6	Confident	112 Å²	112	81.2 Å²	81.2	59%	0.586	45%	0.452	S	S	*	.	H	α-helix	trans	-57.8	-46	174	-113.1	92.5	0	0	0	111.6	E193 S194 T199 V200 E201	E193-L197 PolarHBondContact O-N 3.1Å; S194-L197 PolarHBondContact O-N 2.72Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 3.37Å; L197-V200 WeakPolarHBondContact O-CB 3.28Å; L197-V200 PolarHBondContact O-N 3.42Å; L197-V200 VanDerWaalsContact O-N 3.12Å; L197-E201 PolarHBondContact O-N 3.12Å
198	L	77.2	Confident	75.4	Confident	49 Å²	49	82 Å²	82	26%	0.257	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-33.8	-179.5	-77.6	177.9	0	0	0	113.4	I187 L190 S194 L195 Q196 V200 E201 A202 I212	I187-L198 HydrophobicContact CG1-CD1 4.4Å; L190-L198 HydrophobicContact CD1-CD1 3.16Å; L190-L198 HydrophobicContact CD1-CG 4.36Å; S194-L198 PolarHBondContact O-N 3.14Å; S194-L198 VanDerWaalsContact O-N 3.09Å; L195-L198 PolarHBondContact O-N 2.85Å; Q196-L198 VanDerWaalsContact C-N 3.32Å; Q196-L198 PolarHBondContact O-N 3.1Å; L198-V200 PolarHBondContact O-N 3.27Å; L198-E201 PolarHBondContact O-N 3.15Å; L198-E201 VanDerWaalsContact O-N 3.16Å; L198-A202 WeakPolarHBondContact O-CB 3.31Å; L198-A202 PolarHBondContact O-N 3.17Å; L198-I212 HydrophobicContact CB-CD1 4.01Å
199	T	75.4	Confident	75.4	Confident	41 Å²	41	81.5 Å²	81.5	25%	0.252	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-33	174.9	55.9	0	0	0	0	112.6	L195 Q196 L197 E201 M209 I212 F216	L195-T199 PolarHBondContact O-N 2.9Å; Q196-T199 PolarHBondContact O-N 3.11Å; Q196-T199 PolarHBondContact O-OG1 3.13Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 3.37Å; T199-E201 VanDerWaalsContact C-N 3.34Å; T199-M209 HydrophobicContact CG2-SD 4.25Å; T199-M209 WeakPolarHBondContact O-CE 3.45Å; T199-I212 HydrophobicContact CG2-CB 4.32Å; T199-I212 HydrophobicContact CG2-CD1 4.44Å; T199-I212 HydrophobicContact CG2-CG2 3.36Å; T199-F216 HydrophobicContact CG2-CE2 3.74Å
200	V	73.2	Confident	75.5	Confident	125 Å²	125	80 Å²	80	76%	0.758	45%	0.448	S	S	*	.	H	α-helix	trans	-69.3	-36.4	176.9	-178	0	0	0	0	110.6	L197 L198	L197-V200 WeakPolarHBondContact O-CB 3.28Å; L197-V200 PolarHBondContact O-N 3.42Å; L197-V200 VanDerWaalsContact O-N 3.12Å; L198-V200 PolarHBondContact O-N 3.27Å
201	E	72	Confident	75.4	Confident	142 Å²	142	81.6 Å²	81.6	66%	0.664	45%	0.451	S	S	*	.	H	α-helix	trans	-80.3	-35.6	179.2	-62.1	-174.3	164.3	0	0	113.3	L197 L198 T199 G203	L197-E201 PolarHBondContact O-N 3.12Å; L198-E201 PolarHBondContact O-N 3.15Å; L198-E201 VanDerWaalsContact O-N 3.16Å; T199-E201 VanDerWaalsContact C-N 3.34Å; E201-G203 PolarHBondContact O-N 2.84Å
202	A	68.6	Low	75.3	Confident	6 Å²	6	77.2 Å²	77.2	5%	0.05	43%	0.427	C	S	.	.			trans	-78.7	4.2	-172.6	0	0	0	0	0	114.5	L198 T204 Q205 L208 M209 I212	L198-A202 WeakPolarHBondContact O-CB 3.31Å; L198-A202 PolarHBondContact O-N 3.17Å; A202-T204 PolarHBondContact O-N 2.83Å; A202-Q205 PolarHBondContact O-N 3.12Å; A202-L208 HydrophobicContact CB-CD2 3.75Å; A202-L208 HydrophobicContact CB-CG 4.36Å; A202-M209 HydrophobicContact CB-CG 4.32Å; A202-M209 HydrophobicContact CB-SD 4.22Å; A202-I212 HydrophobicContact CB-CD1 3.83Å
203	G	62.8	Low	75.4	Confident	57 Å²	57	77.2 Å²	77.2	59%	0.588	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-5.8	-169.3	0	0	0	0	0	117.4	E201	E201-G203 PolarHBondContact O-N 2.84Å
204	T	63.3	Low	75.3	Confident	127 Å²	127	76 Å²	76	78%	0.779	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	3.8	178.3	53.3	0	0	0	0	114.8	A202 P206	A202-T204 PolarHBondContact O-N 2.83Å; T204-P206 WeakPolarHBondContact O-CD 3.14Å
205	Q	70.5	Confident	75.3	Confident	109 Å²	109	75.3 Å²	75.3	51%	0.509	41%	0.414	S	S	.	.			trans	-119.1	91.9	-177.7	-64.3	-174.8	11.1	0	0	111.3	A202 L207 L208 M209	A202-Q205 PolarHBondContact O-N 3.12Å; Q205-L207 VanDerWaalsContact C-N 3.33Å; Q205-L207 PolarHBondContact O-N 3.41Å; Q205-L208 HydrophobicContact CB-CB 3.78Å; Q205-L208 PolarHBondContact O-N 2.79Å; Q205-L208 VanDerWaalsContact O-N 3.13Å; Q205-M209 PolarHBondContact O-N 3.13Å
206	P	72.3	Confident	75.3	Confident	100 Å²	100	77 Å²	77	65%	0.649	42%	0.421	S	S	*	.	H	α-helix	trans	-58.6	-38.3	-172.1	-25.8	33.6	0	0	0	114.6	T204 M209 T210	T204-P206 WeakPolarHBondContact O-CD 3.14Å; P206-M209 PolarHBondContact O-N 2.68Å; P206-T210 WeakPolarHBondContact O-CB 3.44Å; P206-T210 PolarHBondContact O-N 3.11Å; P206-T210 PolarHBondContact O-OG1 2.69Å
207	L	70.4	Confident	75.3	Confident	142 Å²	142	76.7 Å²	76.7	74%	0.743	42%	0.424	S	S	*	.	H	α-helix	trans	-68.8	-40.6	178.8	-69.8	172.7	0	0	0	111.6	Q205 T210 R211	Q205-L207 VanDerWaalsContact C-N 3.33Å; Q205-L207 PolarHBondContact O-N 3.41Å; L207-T210 WeakPolarHBondContact O-CB 3.42Å; L207-T210 PolarHBondContact O-N 3.15Å; L207-R211 PolarHBondContact O-N 2.92Å
208	L	74	Confident	75.4	Confident	20 Å²	20	74 Å²	74	11%	0.105	41%	0.412	C	S	.	.	H	α-helix	trans	-63.7	-45.3	175.2	-163.9	71.6	0	0	0	110.4	P183 I187 A202 Q205 T210 R211 I212	P183-L208 HydrophobicContact CB-CD1 3.66Å; I187-L208 HydrophobicContact CD1-CD1 3.45Å; I187-L208 VanDerWaalsContact CD1-CD1 3.45Å; I187-L208 HydrophobicContact CD1-CG 4.05Å; A202-L208 HydrophobicContact CB-CD2 3.75Å; A202-L208 HydrophobicContact CB-CG 4.36Å; Q205-L208 HydrophobicContact CB-CB 3.78Å; Q205-L208 PolarHBondContact O-N 2.79Å; Q205-L208 VanDerWaalsContact O-N 3.13Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.22Å; L208-R211 PolarHBondContact O-N 2.7Å; L208-R211 VanDerWaalsContact O-N 3.15Å; L208-I212 HydrophobicContact CG-CD1 4.16Å; L208-I212 VanDerWaalsContact O-CG1 3.31Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.26Å
209	M	77	Confident	75.5	Confident	55 Å²	55	74.3 Å²	74.3	27%	0.271	41%	0.414	S	S	.	.	H	α-helix	trans	-58.8	-39.2	173.9	-82.8	-64.7	-151.1	0	0	113.1	T199 A202 Q205 P206 S213	T199-M209 HydrophobicContact CG2-SD 4.25Å; T199-M209 WeakPolarHBondContact O-CE 3.45Å; A202-M209 HydrophobicContact CB-CG 4.32Å; A202-M209 HydrophobicContact CB-SD 4.22Å; Q205-M209 PolarHBondContact O-N 3.13Å; P206-M209 PolarHBondContact O-N 2.68Å; M209-S213 WeakPolarHBondContact O-CB 3.48Å; M209-S213 PolarHBondContact O-N 2.74Å; M209-S213 PolarHBondContact O-OG 3.33Å
210	T	78.7	Confident	75.4	Confident	94 Å²	94	76.3 Å²	76.3	58%	0.577	43%	0.429	S	S	*	.	H	α-helix	trans	-64.1	-42.5	176.3	-54.3	0	0	0	0	111	P206 L207 L208 F214	P206-T210 WeakPolarHBondContact O-CB 3.44Å; P206-T210 PolarHBondContact O-N 3.11Å; P206-T210 PolarHBondContact O-OG1 2.69Å; L207-T210 WeakPolarHBondContact O-CB 3.42Å; L207-T210 PolarHBondContact O-N 3.15Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.22Å; T210-F214 PolarHBondContact O-N 3.09Å
211	R	77.7	Confident	75.4	Confident	84 Å²	84	77.5 Å²	77.5	32%	0.317	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-45.7	177.6	-175.1	56.9	169.5	-170.3	-3.5	112.3	E184 I187 D188 L207 L208 S213 F214 E215	E184-R211 HydrophobicContact CB-CG 4.19Å; I187-R211 HydrophobicContact CB-CG 4.4Å; I187-R211 HydrophobicContact CD1-CB 4.26Å; I187-R211 HydrophobicContact CD1-CG 4.05Å; I187-R211 HydrophobicContact CG2-CG 4.08Å; D188-R211 IonicContact OD1-CZ 2.73Å; D188-R211 IonicContact OD1-NE 3.22Å; D188-R211 PolarHBondContact OD1-NE 3.32Å; D188-R211 IonicContact OD1-NH2 2.72Å; D188-R211 PolarHBondContact OD1-NH2 2.82Å; D188-R211 IonicContact OD2-CZ 3.67Å; D188-R211 IonicContact OD2-NH2 3.69Å; D188-R211 PolarHBondContact OD2-NH2 2.99Å; L207-R211 PolarHBondContact O-N 2.92Å; L208-R211 PolarHBondContact O-N 2.7Å; L208-R211 VanDerWaalsContact O-N 3.15Å; R211-S213 VanDerWaalsContact C-N 3.3Å; R211-S213 PolarHBondContact O-N 3.23Å; R211-F214 WeakPolarHBondContact O-CB 3.23Å; R211-F214 PolarHBondContact O-N 3.12Å; R211-E215 PolarHBondContact O-N 3.42Å
212	I	81.5	Confident	74.6	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-58	-45.7	175.9	-64	164.8	0	0	0	110.4	I187 L195 L198 T199 A202 L208 F214 E215 F216	I187-I212 HydrophobicContact CD1-CD1 4.34Å; I187-I212 HydrophobicContact CD1-CG1 3.51Å; I187-I212 HydrophobicContact CG1-CG1 4.05Å; L195-I212 HydrophobicContact CB-CG2 4.27Å; L195-I212 HydrophobicContact CD2-CG2 4.19Å; L198-I212 HydrophobicContact CB-CD1 4.01Å; T199-I212 HydrophobicContact CG2-CB 4.32Å; T199-I212 HydrophobicContact CG2-CD1 4.44Å; T199-I212 HydrophobicContact CG2-CG2 3.36Å; A202-I212 HydrophobicContact CB-CD1 3.83Å; L208-I212 HydrophobicContact CG-CD1 4.16Å; L208-I212 VanDerWaalsContact O-CG1 3.31Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.26Å; I212-F214 VanDerWaalsContact C-N 3.31Å; I212-F214 PolarHBondContact O-N 2.64Å; I212-E215 PolarHBondContact O-N 3.01Å; I212-F216 HydrophobicContact CG2-CD2 3.52Å; I212-F216 HydrophobicContact CG2-CE2 3.43Å; I212-F216 VanDerWaalsContact CG2-CE2 3.43Å; I212-F216 VanDerWaalsContact O-CD2 3.26Å; I212-F216 WeakPolarHBondContact O-CD2 3.41Å; I212-F216 PolarHBondContact O-N 2.64Å
213	S	81.8	Confident	74.9	Confident	60 Å²	60	85.3 Å²	85.3	42%	0.42	47%	0.468	S	S	.	.	H	α-helix	trans	-63.6	-36.2	178.9	-56.3	0	0	0	0	112.7	M209 R211 N217	M209-S213 WeakPolarHBondContact O-CB 3.48Å; M209-S213 PolarHBondContact O-N 2.74Å; M209-S213 PolarHBondContact O-OG 3.33Å; R211-S213 VanDerWaalsContact C-N 3.3Å; R211-S213 PolarHBondContact O-N 3.23Å; S213-N217 PolarHBondContact O-N 3.1Å; S213-N217 PolarHBondContact O-ND2 2.56Å
214	F	82	Confident	75.5	Confident	115 Å²	115	86.7 Å²	86.7	50%	0.504	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-47.1	173.8	-179.3	-91.6	0	0	0	111.2	T210 R211 I212 N217 T218	T210-F214 PolarHBondContact O-N 3.09Å; R211-F214 WeakPolarHBondContact O-CB 3.23Å; R211-F214 PolarHBondContact O-N 3.12Å; I212-F214 VanDerWaalsContact C-N 3.31Å; I212-F214 PolarHBondContact O-N 2.64Å; F214-N217 WeakPolarHBondContact O-CB 3.46Å; F214-N217 PolarHBondContact O-N 2.79Å; F214-N217 VanDerWaalsContact O-N 3.13Å; F214-T218 HydrophobicContact CD1-CG2 4.4Å; F214-T218 HydrophobicContact CE1-CG2 3.92Å; F214-T218 HydrophobicContact CZ-CG2 4.22Å; F214-T218 PolarHBondContact O-N 3.05Å; F214-T218 VanDerWaalsContact O-N 3.11Å
215	E	81.5	Confident	76.2	Confident	31 Å²	31	84.5 Å²	84.5	15%	0.145	44%	0.444	C	S	.	.	H	α-helix	trans	-69.5	-33.6	-178.2	-151.1	57.7	-136	0	0	112.9	I187 L195 R211 I212 N217 T218 L219	I187-E215 HydrophobicContact CG2-CB 3.79Å; I187-E215 HydrophobicContact CG2-CG 4.09Å; L195-E215 HydrophobicContact CD1-CB 4.19Å; L195-E215 HydrophobicContact CD1-CG 4.33Å; R211-E215 PolarHBondContact O-N 3.42Å; I212-E215 PolarHBondContact O-N 3.01Å; E215-N217 VanDerWaalsContact C-N 3.29Å; E215-N217 PolarHBondContact O-N 3.2Å; E215-T218 VanDerWaalsContact CA-OG1 3.29Å; E215-T218 WeakPolarHBondContact CA-OG1 3.42Å; E215-T218 PolarHBondContact O-N 3.25Å; E215-T218 PolarHBondContact O-OG1 2.9Å; E215-T218 PolarHBondContact OE1-OG1 3.41Å; E215-T218 VanDerWaalsContact OE1-OG1 3.12Å; E215-L219 WeakPolarHBondContact O-CG 3.29Å; E215-L219 PolarHBondContact O-N 3.09Å; E215-L219 VanDerWaalsContact O-N 3.13Å
216	F	80.8	Confident	76.6	Confident	35 Å²	35	83.1 Å²	83.1	15%	0.154	44%	0.44	C	S	.	.	H	α-helix	trans	-58.1	-43.5	168.7	-93.5	-64.8	0	0	0	112.5	V192 L195 Q196 T199 I212 S220	V192-F216 HydrophobicContact CB-CE1 4.48Å; V192-F216 HydrophobicContact CG1-CD1 4.18Å; V192-F216 HydrophobicContact CG1-CE1 3.73Å; V192-F216 WeakPolarHBondContact O-CE1 3.41Å; L195-F216 HydrophobicContact CB-CD1 4.37Å; L195-F216 HydrophobicContact CB-CD2 4.06Å; L195-F216 HydrophobicContact CB-CE1 3.79Å; L195-F216 HydrophobicContact CB-CE2 3.44Å; L195-F216 VanDerWaalsContact CB-CE2 3.44Å; L195-F216 HydrophobicContact CB-CG 4.49Å; L195-F216 HydrophobicContact CB-CZ 3.3Å; L195-F216 HydrophobicContact CD1-CD1 4.32Å; L195-F216 HydrophobicContact CD1-CD2 4.44Å; L195-F216 HydrophobicContact CD1-CE1 4.47Å; L195-F216 HydrophobicContact CD1-CG 4.31Å; Q196-F216 HydrophobicContact CB-CZ 4.15Å; Q196-F216 HydrophobicContact CG-CE1 3.78Å; Q196-F216 HydrophobicContact CG-CZ 3.47Å; Q196-F216 VanDerWaalsContact CG-CZ 3.47Å; Q196-F216 VanDerWaalsContact N-CZ 3.3Å; T199-F216 HydrophobicContact CG2-CE2 3.74Å; I212-F216 HydrophobicContact CG2-CD2 3.52Å; I212-F216 HydrophobicContact CG2-CE2 3.43Å; I212-F216 VanDerWaalsContact CG2-CE2 3.43Å; I212-F216 VanDerWaalsContact O-CD2 3.26Å; I212-F216 WeakPolarHBondContact O-CD2 3.41Å; I212-F216 PolarHBondContact O-N 2.64Å; F216-S220 WeakPolarHBondContact O-CB 3.41Å; F216-S220 PolarHBondContact O-N 2.69Å; F216-S220 VanDerWaalsContact O-N 3.11Å; F216-S220 PolarHBondContact O-OG 2.86Å
217	N	80.9	Confident	76.8	Confident	107 Å²	107	82 Å²	82	57%	0.572	43%	0.427	S	S	*	.	H	α-helix	trans	-70.4	-31.9	-178.3	-74.5	-25.4	0	0	0	112.1	S213 F214 E215 I221	S213-N217 PolarHBondContact O-N 3.1Å; S213-N217 PolarHBondContact O-ND2 2.56Å; F214-N217 WeakPolarHBondContact O-CB 3.46Å; F214-N217 PolarHBondContact O-N 2.79Å; F214-N217 VanDerWaalsContact O-N 3.13Å; E215-N217 VanDerWaalsContact C-N 3.29Å; E215-N217 PolarHBondContact O-N 3.2Å; N217-I221 VanDerWaalsContact O-CD1 3.28Å; N217-I221 WeakPolarHBondContact O-CD1 3.4Å; N217-I221 WeakPolarHBondContact O-CG1 3.31Å
218	T	81.2	Confident	77.2	Confident	55 Å²	55	78 Å²	78	34%	0.337	41%	0.406	S	S	.	.	H	α-helix	trans	-68.4	-45	174.7	45.1	0	0	0	0	111.3	F214 E215 S220 I221	F214-T218 HydrophobicContact CD1-CG2 4.4Å; F214-T218 HydrophobicContact CE1-CG2 3.92Å; F214-T218 HydrophobicContact CZ-CG2 4.22Å; F214-T218 PolarHBondContact O-N 3.05Å; F214-T218 VanDerWaalsContact O-N 3.11Å; E215-T218 VanDerWaalsContact CA-OG1 3.29Å; E215-T218 WeakPolarHBondContact CA-OG1 3.42Å; E215-T218 PolarHBondContact O-N 3.25Å; E215-T218 PolarHBondContact O-OG1 2.9Å; E215-T218 PolarHBondContact OE1-OG1 3.41Å; E215-T218 VanDerWaalsContact OE1-OG1 3.12Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 3.47Å; T218-I221 PolarHBondContact O-N 3.27Å
219	L	79	Confident	77.5	Confident	56 Å²	56	82.1 Å²	82.1	29%	0.293	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-22.4	179.9	-69	170.5	0	0	0	114.4	V192 L195 E215 I221	V192-L219 HydrophobicContact CG2-CB 4.1Å; V192-L219 HydrophobicContact CG2-CD1 4.16Å; L195-L219 HydrophobicContact CD1-CD1 3.77Å; E215-L219 WeakPolarHBondContact O-CG 3.29Å; E215-L219 PolarHBondContact O-N 3.09Å; E215-L219 VanDerWaalsContact O-N 3.13Å; L219-I221 VanDerWaalsContact C-N 3.32Å
220	S	74.6	Confident	77.5	Confident	83 Å²	83	84.2 Å²	84.2	58%	0.58	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.5	-179.6	-54.9	0	0	0	0	114.1	F216 T218	F216-S220 WeakPolarHBondContact O-CB 3.41Å; F216-S220 PolarHBondContact O-N 2.69Å; F216-S220 VanDerWaalsContact O-N 3.11Å; F216-S220 PolarHBondContact O-OG 2.86Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 3.47Å
221	I	72.3	Confident	77.4	Confident	150 Å²	150	83.4 Å²	83.4	77%	0.769	43%	0.429	S	S	*	.			trans	-94.1	-13.4	-178.7	-65	168.7	0	0	0	111.4	N217 T218 L219	N217-I221 VanDerWaalsContact O-CD1 3.28Å; N217-I221 WeakPolarHBondContact O-CD1 3.4Å; N217-I221 WeakPolarHBondContact O-CG1 3.31Å; T218-I221 PolarHBondContact O-N 3.27Å; L219-I221 VanDerWaalsContact C-N 3.32Å
222	E	55.7	Low	77.4	Confident	225 Å²	225	83.4 Å²	83.4	100%	1.051	44%	0.439	S	S	*	.			trans	-86.7	0	172.8	-62.3	-169.3	162.5	0	0	112.4

Retrieved 222 of 222 residues in 49.4 ms (Link to these results)

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