A0A3B3UCP0_9TELE Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3B3UCP0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 206 aa.

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(Predicted Aligned Error values between residue pairs)

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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	46.2	Very low	82.2	Confident	245 Å²	245	88 Å²	88	100%	1.207	46%	0.46	S	S	*	.				0	122.8	0	-78.5	175	-179.7	0	0	108	K3	M1-K3 PolarHBondContact O-N 2.85Å
2	A	51.6	Low	83.3	Confident	100 Å²	100	80.8 Å²	80.8	83%	0.826	42%	0.422	S	S	*	.			trans	-59.5	135.3	177.4	0	0	0	0	0	109.7	S4	A2-S4 PolarHBondContact O-N 3.27Å
3	K	60.5	Low	84.2	Confident	185 Å²	185	74.5 Å²	74.5	80%	0.804	39%	0.39	S	S	*	.			trans	-59.8	121.5	174.6	-77	-176.8	175.7	179.1	0	108.1	M1 Y5	M1-K3 PolarHBondContact O-N 2.85Å; K3-Y5 PolarHBondContact O-N 2.71Å
4	S	84.5	Confident	84.9	Confident	88 Å²	88	69.2 Å²	69.2	62%	0.615	36%	0.362	S	S	*	.	S	Bend	trans	-79.1	2.2	-178.3	53.6	0	0	0	0	114.1	A2	A2-S4 PolarHBondContact O-N 3.27Å
5	Y	89.8	Confident	85.5	Confident	71 Å²	71	64.6 Å²	64.6	28%	0.278	34%	0.338	S	S	.	.			trans	-152.4	151.7	179.9	59.4	-90.7	0	0	0	110	K3 Y7 L8 K58	K3-Y5 PolarHBondContact O-N 2.71Å; Y5-Y7 VanDerWaalsContact CD2-O 3.24Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.19Å; Y5-L8 HydrophobicContact CD2-CB 4.42Å; Y5-L8 HydrophobicContact CE2-CB 3.79Å; Y5-K58 HydrophobicContact CD1-CB 4.26Å; Y5-K58 HydrophobicContact CD1-CD 4.17Å; Y5-K58 HydrophobicContact CD2-CB 4.2Å; Y5-K58 HydrophobicContact CE1-CD 4.15Å; Y5-K58 HydrophobicContact CG-CB 3.94Å
6	D	92.8	Very high	85.9	Confident	85 Å²	85	61.9 Å²	61.9	46%	0.455	32%	0.324	S	S	.	.	S	Bend	trans	-81.8	-43.8	176.9	-62.3	-82.6	0	0	0	111.3	K55 K56	D6-K55 HydrophobicContact CB-CB 4.27Å; D6-K55 HydrophobicContact CB-CD 4.13Å; D6-K56 PolarHBondContact N-O 3.21Å; D6-K56 PolarHBondContact OD2-N 3.28Å
7	Y	94.9	Very high	86.1	Confident	54 Å²	54	61.4 Å²	61.4	21%	0.212	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.1	-176.2	-61.9	-84	0	0	0	112.4	Y5 F9 K55 K56 I57 K58 M170 L173	Y5-Y7 VanDerWaalsContact CD2-O 3.24Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.19Å; Y7-F9 HydrophobicContact CD1-CE1 4.09Å; Y7-F9 HydrophobicContact CD1-CZ 4.41Å; Y7-F9 HydrophobicContact CG-CE1 4.06Å; Y7-F9 HydrophobicContact CG-CZ 4.16Å; Y7-K55 HydrophobicContact CD2-CB 4.16Å; Y7-K55 HydrophobicContact CE2-CB 4.12Å; Y7-K55 HydrophobicContact CE2-CD 4.19Å; Y7-K55 HydrophobicContact CE2-CG 3.96Å; Y7-K56 PolarHBondContact N-O 2.77Å; Y7-I57 HydrophobicContact CD2-CG1 4.44Å; Y7-K58 PolarHBondContact O-N 3.2Å; Y7-M170 HydrophobicContact CE2-CE 4.35Å; Y7-L173 HydrophobicContact CD1-CD1 4.41Å
8	L	95.4	Very high	86.4	Confident	59 Å²	59	59.4 Å²	59.4	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.6	172	-178.8	73.1	0	0	0	108.3	Y5 K58 Q60	Y5-L8 HydrophobicContact CD2-CB 4.42Å; Y5-L8 HydrophobicContact CE2-CB 3.79Å; L8-K58 WeakPolarHBondContact CA-O 3.49Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.77Å; L8-K58 HydrophobicContact CD1-CG 3.68Å; L8-Q60 HydrophobicContact CD1-CG 3.75Å
9	F	96.9	Very high	86.9	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.7	177.2	-60.5	-18.1	0	0	0	111.2	Y7 I57 K58 L59 Q60 M82 A166 I169 M170 L173	Y7-F9 HydrophobicContact CD1-CE1 4.09Å; Y7-F9 HydrophobicContact CD1-CZ 4.41Å; Y7-F9 HydrophobicContact CG-CE1 4.06Å; Y7-F9 HydrophobicContact CG-CZ 4.16Å; F9-I57 HydrophobicContact CB-CG2 4.43Å; F9-I57 HydrophobicContact CD1-CG2 4.44Å; F9-I57 HydrophobicContact CD2-CD1 4.47Å; F9-I57 HydrophobicContact CD2-CG2 3.43Å; F9-I57 VanDerWaalsContact CD2-CG2 3.43Å; F9-I57 HydrophobicContact CE2-CD1 3.74Å; F9-I57 HydrophobicContact CE2-CG2 3.66Å; F9-I57 HydrophobicContact CG-CG2 3.85Å; F9-I57 HydrophobicContact CZ-CD1 4.23Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; F9-K58 PolarHBondContact N-O 2.66Å; F9-L59 HydrophobicContact CB-CD2 3.9Å; F9-L59 HydrophobicContact CD2-CD2 4.08Å; F9-L59 HydrophobicContact CG-CD2 4.44Å; F9-Q60 PolarHBondContact O-N 2.68Å; F9-M82 HydrophobicContact CB-SD 4.38Å; F9-M82 HydrophobicContact CD1-CE 3.6Å; F9-M82 HydrophobicContact CD1-SD 3.97Å; F9-M82 HydrophobicContact CE1-CE 4.01Å; F9-M82 HydrophobicContact CG-CE 4.49Å; F9-A166 HydrophobicContact CD2-CB 4.25Å; F9-A166 HydrophobicContact CE2-CB 4.49Å; F9-A166 WeakPolarHBondContact CE2-O 3.27Å; F9-I169 HydrophobicContact CB-CD1 4.47Å; F9-I169 HydrophobicContact CD1-CG2 3.79Å; F9-I169 HydrophobicContact CD2-CB 4.12Å; F9-I169 HydrophobicContact CD2-CD1 4.34Å; F9-I169 HydrophobicContact CD2-CG2 3.86Å; F9-I169 HydrophobicContact CE1-CG2 3.81Å; F9-I169 HydrophobicContact CE2-CB 4.05Å; F9-I169 HydrophobicContact CE2-CG2 3.85Å; F9-I169 HydrophobicContact CG-CG2 3.86Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.84Å; F9-M170 HydrophobicContact CE2-CB 4.08Å; F9-M170 HydrophobicContact CZ-CB 3.93Å; F9-L173 HydrophobicContact CD1-CD1 4.33Å; F9-L173 HydrophobicContact CE1-CD1 3.4Å; F9-L173 VanDerWaalsContact CE1-CD1 3.4Å; F9-L173 HydrophobicContact CZ-CD1 3.9Å
10	K	95.7	Very high	87.3	Confident	80 Å²	80	54.2 Å²	54.2	35%	0.348	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117	175.1	-67.9	179.1	178.8	-178.3	0	109.5	Q60 G80 M82 G83	K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.07Å; K10-Q60 HydrophobicContact CG-CB 4.19Å; K10-G80 WeakPolarHBondContact CD-O 3.27Å; K10-M82 PolarHBondContact O-N 2.55Å; K10-G83 PolarHBondContact O-N 3.33Å
11	L	96.6	Very high	87.6	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.4	177.6	-54.8	-174.1	0	0	0	110.1	L59 Q60 I61 W62 G83 F162 L165 I169	L11-L59 HydrophobicContact CD1-CD1 4.42Å; L11-L59 HydrophobicContact CD1-CD2 4.29Å; L11-Q60 PolarHBondContact N-O 3.23Å; L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.3Å; L11-I61 WeakPolarHBondContact O-CA 3.36Å; L11-W62 PolarHBondContact O-N 2.91Å; L11-G83 CarbonylContact C-O 3.51Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.32Å; L11-F162 HydrophobicContact CD1-CD1 4.02Å; L11-L165 HydrophobicContact CD2-CD2 4Å; L11-L165 HydrophobicContact CD2-CG 4.29Å; L11-I169 HydrophobicContact CD2-CD1 3.44Å; L11-I169 VanDerWaalsContact CD2-CD1 3.44Å
12	L	95	Very high	89.8	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.6	176.3	-174.9	67.8	0	0	0	109.7	I14 W62 T64 Y78 A81 G83 I84 M85	L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.8Å; L12-W62 HydrophobicContact CD1-CB 3.6Å; L12-T64 HydrophobicContact CD1-CG2 3.44Å; L12-T64 VanDerWaalsContact CD1-CG2 3.44Å; L12-T64 HydrophobicContact CG-CG2 4.26Å; L12-Y78 HydrophobicContact CD2-CD1 4.24Å; L12-Y78 HydrophobicContact CD2-CD2 4.44Å; L12-Y78 HydrophobicContact CD2-CE1 4.36Å; L12-Y78 HydrophobicContact CD2-CG 4.29Å; L12-A81 HydrophobicContact CB-CB 4.36Å; L12-G83 PolarHBondContact N-O 3.02Å; L12-I84 HydrophobicContact CB-CG1 4.21Å; L12-I84 WeakPolarHBondContact O-CA 3.29Å; L12-M85 PolarHBondContact O-N 2.9Å
13	L	94.9	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.9	170.9	-57.4	-178.4	0	0	0	108.8	K21 L25 I61 W62 T64 M85 F162	L13-K21 HydrophobicContact CB-CB 4.2Å; L13-K21 HydrophobicContact CB-CD 4.31Å; L13-K21 HydrophobicContact CB-CG 4.48Å; L13-K21 HydrophobicContact CD1-CB 4.39Å; L13-L25 HydrophobicContact CD1-CB 3.94Å; L13-I61 HydrophobicContact CD1-CG2 4.23Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L13-W62 PolarHBondContact N-O 3.18Å; L13-T64 WeakPolarHBondContact O-CG2 3.29Å; L13-T64 PolarHBondContact O-OG1 3.44Å; L13-M85 HydrophobicContact CD2-CB 3.66Å; L13-M85 HydrophobicContact CD2-CG 3.97Å; L13-M85 HydrophobicContact CD2-SD 3.69Å; L13-F162 HydrophobicContact CD1-CZ 4.31Å; L13-F162 HydrophobicContact CD2-CE1 4.01Å; L13-F162 HydrophobicContact CD2-CZ 4.08Å
14	I	93.7	Very high	93.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.2	175.1	70	172.9	0	0	0	111.2	L12 K21 T74 Y78 I84 M85 L86 V87 W102 I106	L12-I14 HydrophobicContact CD2-CG2 3.76Å; L12-I14 HydrophobicContact CG-CG2 3.8Å; I14-K21 VanDerWaalsContact C-CD 3.44Å; I14-T74 HydrophobicContact CG2-CG2 4.43Å; I14-Y78 HydrophobicContact CD1-CE1 4.25Å; I14-I84 HydrophobicContact CD1-CG2 3.75Å; I14-I84 HydrophobicContact CG1-CG2 3.84Å; I14-I84 HydrophobicContact CG2-CG2 4.34Å; I14-M85 PolarHBondContact N-O 2.78Å; I14-L86 HydrophobicContact CD1-CD2 4.18Å; I14-L86 HydrophobicContact CD1-CG 4Å; I14-L86 HydrophobicContact CG1-CB 4.41Å; I14-L86 HydrophobicContact CG1-CG 4.01Å; I14-V87 PolarHBondContact O-N 3.12Å; I14-W102 HydrophobicContact CB-CE3 4.19Å; I14-W102 HydrophobicContact CB-CZ3 4.45Å; I14-W102 HydrophobicContact CD1-CB 3.94Å; I14-W102 HydrophobicContact CD1-CD2 4.44Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.45Å; I14-W102 HydrophobicContact CG1-CE3 4.45Å; I14-I106 HydrophobicContact CD1-CD1 3.78Å; I14-I106 HydrophobicContact CD1-CG1 3.86Å
15	G	93.6	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.			trans	142.4	168.4	-175.3	0	0	0	0	0	111.6	K21 G66 V87	G15-K21 PolarHBondContact O-NZ 3.49Å; G15-G66 WeakPolarHBondContact O-CA 3.43Å; G15-V87 WeakPolarHBondContact CA-O 3.37Å
16	D	92.3	Very high	94.1	Very high	22 Å²	22	25.5 Å²	25.5	12%	0.118	14%	0.142	C	C	.	.			trans	-62.3	164.7	-175.8	-75.6	14.1	0	0	0	112.9	V19 K21 N98 W102	D16-V19 HydrophobicContact CB-CG1 3.82Å; D16-V19 WeakPolarHBondContact O-CG2 3.44Å; D16-K21 PolarHBondContact O-NZ 3.39Å; D16-N98 PolarHBondContact OD2-ND2 3.12Å; D16-W102 PolarHBondContact OD1-NE1 3.18Å
17	S	90.3	Very high	94.1	Very high	53 Å²	53	23.3 Å²	23.3	37%	0.371	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	142.1	171.8	-168	0	0	0	0	110.4	V19 G66	S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.89Å; S17-G66 PolarHBondContact N-O 3.12Å
18	G	91.1	Very high	94.1	Very high	26 Å²	26	21 Å²	21	27%	0.268	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-6.3	176.3	0	0	0	0	0	116.4	G20 K122	G18-G20 PolarHBondContact O-N 3.37Å; G18-K122 WeakPolarHBondContact O-CE 3.39Å; G18-K122 PolarHBondContact O-NZ 3.17Å
19	V	95.3	Very high	93.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.114	C	C	.	.	S	Bend	trans	-71.3	-17.8	-179.3	-55.5	0	0	0	0	113.8	D16 S17 K21 V87 D89 N121	D16-V19 HydrophobicContact CB-CG1 3.82Å; D16-V19 WeakPolarHBondContact O-CG2 3.44Å; S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.89Å; V19-K21 HydrophobicContact CG2-CD 4.37Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; V19-V87 HydrophobicContact CB-CG1 4.29Å; V19-V87 HydrophobicContact CG2-CB 3.91Å; V19-V87 HydrophobicContact CG2-CG1 3.84Å; V19-D89 HydrophobicContact CB-CB 4.27Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; V19-N121 PolarHBondContact O-ND2 3.44Å
20	G	94.3	Very high	93.4	Very high	12 Å²	12	24.4 Å²	24.4	12%	0.124	14%	0.137	C	C	.	.			trans	100.7	25.4	174.2	0	0	0	0	0	115.9	G18 C23 L24	G18-G20 PolarHBondContact O-N 3.37Å; G20-C23 PolarHBondContact O-N 3.09Å; G20-L24 WeakPolarHBondContact O-CG 3.44Å; G20-L24 PolarHBondContact O-N 2.79Å
21	K	94.6	Very high	92.9	Very high	9 Å²	9	26 Å²	26	4%	0.039	15%	0.149	C	C	.	.	H	α-helix	trans	-53.9	-52.4	174.8	-58	-174.9	-61.2	-73.8	0	112.5	L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87	L13-K21 HydrophobicContact CB-CB 4.2Å; L13-K21 HydrophobicContact CB-CD 4.31Å; L13-K21 HydrophobicContact CB-CG 4.48Å; L13-K21 HydrophobicContact CD1-CB 4.39Å; I14-K21 VanDerWaalsContact C-CD 3.44Å; G15-K21 PolarHBondContact O-NZ 3.49Å; D16-K21 PolarHBondContact O-NZ 3.39Å; V19-K21 HydrophobicContact CG2-CD 4.37Å; V19-K21 HydrophobicContact CG2-CG 3.7Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 2.85Å; K21-L24 WeakPolarHBondContact O-CB 3.44Å; K21-L24 PolarHBondContact O-N 3.39Å; K21-L24 VanDerWaalsContact O-N 3.15Å; K21-L25 PolarHBondContact O-N 3.19Å; K21-D63 WeakPolarHBondContact CB-OD1 3.43Å; K21-T64 WeakPolarHBondContact CE-O 3.18Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG2 4.03Å
22	T	92.2	Very high	92.1	Very high	33 Å²	33	28 Å²	28	20%	0.202	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-43.3	176.2	-44.3	0	0	0	0	111.6	L24 L25 F26 T40 D63	T22-L24 PolarHBondContact O-N 2.83Å; T22-L25 WeakPolarHBondContact O-CB 3.17Å; T22-L25 PolarHBondContact O-N 3.12Å; T22-F26 HydrophobicContact CG2-CD2 3.69Å; T22-F26 HydrophobicContact CG2-CE2 3.54Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.47Å; T22-F26 PolarHBondContact O-N 3.19Å; T22-T40 PolarHBondContact OG1-OG1 2.69Å; T22-D63 WeakPolarHBondContact CA-OD2 3.46Å; T22-D63 VanDerWaalsContact CB-OD2 3.29Å; T22-D63 WeakPolarHBondContact CB-OD2 3.44Å; T22-D63 PolarHBondContact N-OD1 3.01Å; T22-D63 PolarHBondContact OG1-OD2 3.27Å
23	C	93.6	Very high	91.2	Very high	37 Å²	37	31.4 Å²	31.4	25%	0.25	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-39.5	177	-55.8	0	0	0	0	112.4	G20 K21 R27 F33 A152	G20-C23 PolarHBondContact O-N 3.09Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 2.85Å; C23-R27 WeakPolarHBondContact O-CB 3.5Å; C23-R27 PolarHBondContact O-N 3.37Å; C23-F33 HydrophobicContact CB-CD2 4.31Å; C23-F33 HydrophobicContact CB-CE2 4.08Å; C23-A152 HydrophobicContact CB-CB 3.64Å
24	L	95.8	Very high	90.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-42.5	174.3	-73.9	168.7	0	0	0	111.1	G20 K21 T22 R27 F28 V87 L119 N121 A152 V158	G20-L24 WeakPolarHBondContact O-CG 3.44Å; G20-L24 PolarHBondContact O-N 2.79Å; K21-L24 WeakPolarHBondContact O-CB 3.44Å; K21-L24 PolarHBondContact O-N 3.39Å; K21-L24 VanDerWaalsContact O-N 3.15Å; T22-L24 PolarHBondContact O-N 2.83Å; L24-R27 PolarHBondContact O-N 3.3Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 3.02Å; L24-V87 HydrophobicContact CD1-CG1 3.78Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; L24-L119 HydrophobicContact CD1-CD1 3.91Å; L24-N121 HydrophobicContact CD1-CB 4.32Å; L24-A152 HydrophobicContact CD2-CB 3.94Å; L24-A152 HydrophobicContact CG-CB 4.16Å; L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.15Å; L24-V158 HydrophobicContact CD2-CG2 3.78Å
25	L	94.3	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-53.1	176	179.7	55.3	0	0	0	111.4	L13 K21 T22 R27 F28 S29 K46 I61 D63	L13-L25 HydrophobicContact CD1-CB 3.94Å; K21-L25 PolarHBondContact O-N 3.19Å; T22-L25 WeakPolarHBondContact O-CB 3.17Å; T22-L25 PolarHBondContact O-N 3.12Å; L25-R27 PolarHBondContact O-N 3.37Å; L25-F28 CarbonylContact O-C 3.57Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-F28 VanDerWaalsContact O-N 3.17Å; L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 PolarHBondContact O-OG 3.41Å; L25-K46 HydrophobicContact CD1-CB 3.95Å; L25-K46 HydrophobicContact CD1-CG 4.24Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.27Å; L25-K46 HydrophobicContact CG-CG 4Å; L25-I61 HydrophobicContact CD1-CB 3.75Å; L25-I61 HydrophobicContact CD1-CD1 3.92Å; L25-I61 HydrophobicContact CD1-CG1 4.45Å; L25-I61 HydrophobicContact CD1-CG2 3.6Å; L25-D63 HydrophobicContact CD2-CB 3.58Å
26	F	92.2	Very high	87.6	Confident	61 Å²	61	46.3 Å²	46.3	27%	0.268	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-42.7	179.1	-84.3	-69.4	0	0	0	112.4	T22 F28 S29 E30 D31 A32	T22-F26 HydrophobicContact CG2-CD2 3.69Å; T22-F26 HydrophobicContact CG2-CE2 3.54Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.47Å; T22-F26 PolarHBondContact O-N 3.19Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.05Å; F26-S29 PolarHBondContact O-N 2.99Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.33Å; F26-E30 PolarHBondContact O-N 2.83Å; F26-D31 PolarHBondContact O-N 3.15Å; F26-A32 CarbonylContact C-O 3.54Å
27	R	94.4	Very high	86.1	Confident	39 Å²	39	51.7 Å²	51.7	15%	0.147	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-41.4	176	177.2	58.1	73.4	169.3	5.4	110.9	C23 L24 L25 D31 A32 F33 A152 K153 S155 V158	C23-R27 WeakPolarHBondContact O-CB 3.5Å; C23-R27 PolarHBondContact O-N 3.37Å; L24-R27 PolarHBondContact O-N 3.3Å; L25-R27 PolarHBondContact O-N 3.37Å; R27-D31 WeakPolarHBondContact CD-OD1 3.26Å; R27-D31 IonicContact CZ-OD1 2.59Å; R27-D31 PolarHBondContact NH1-O 3.34Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.34Å; R27-D31 VanDerWaalsContact O-CA 3.3Å; R27-D31 WeakPolarHBondContact O-CA 3.16Å; R27-D31 PolarHBondContact O-N 3.03Å; R27-A32 WeakPolarHBondContact CA-O 3.46Å; R27-A32 PolarHBondContact N-O 2.94Å; R27-F33 VanDerWaalsContact NH2-CB 3.29Å; R27-A152 PolarHBondContact NE-O 2.9Å; R27-A152 PolarHBondContact NH2-O 3.46Å; R27-K153 PolarHBondContact NH2-O 3.36Å; R27-S155 WeakPolarHBondContact CD-OG 3.43Å; R27-V158 HydrophobicContact CB-CG1 4.14Å; R27-V158 HydrophobicContact CG-CB 4.11Å; R27-V158 HydrophobicContact CG-CG1 3.87Å; R27-V158 HydrophobicContact CG-CG2 3.97Å
28	F	94.7	Very high	85.1	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	30%	0.304	C	S	.	.	H	α-helix	trans	-71.2	-40	177.1	-179.4	-107.9	0	0	0	113.1	L24 L25 F26 R48 V50 L59 I61 V158 E159 F162	L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.36Å; L24-F28 PolarHBondContact O-N 3.02Å; L25-F28 CarbonylContact O-C 3.57Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-F28 VanDerWaalsContact O-N 3.17Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.05Å; F28-R48 HydrophobicContact CE1-CB 4.01Å; F28-R48 HydrophobicContact CE1-CG 4.19Å; F28-R48 VanDerWaalsContact O-CD 3.24Å; F28-R48 WeakPolarHBondContact O-CD 3.28Å; F28-R48 PolarHBondContact O-NH1 2.92Å; F28-V50 HydrophobicContact CZ-CG1 3.99Å; F28-L59 HydrophobicContact CE1-CD1 3.91Å; F28-L59 HydrophobicContact CZ-CD1 3.78Å; F28-I61 HydrophobicContact CD1-CD1 3.55Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F28-V158 HydrophobicContact CB-CG1 4.04Å; F28-E159 HydrophobicContact CE2-CG 4.39Å; F28-F162 HydrophobicContact CB-CD2 3.64Å; F28-F162 HydrophobicContact CB-CE2 3.5Å; F28-F162 VanDerWaalsContact CB-CE2 3.5Å; F28-F162 HydrophobicContact CB-CG 4.46Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 HydrophobicContact CD1-CD1 4.13Å; F28-F162 AromaticContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CE1 4.39Å; F28-F162 HydrophobicContact CD1-CE2 4.24Å; F28-F162 AromaticContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.78Å; F28-F162 AromaticContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CD2 3.41Å; F28-F162 VanDerWaalsContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CE2 4.19Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.09Å; F28-F162 HydrophobicContact CE1-CD1 4.22Å; F28-F162 HydrophobicContact CE1-CD2 4.47Å; F28-F162 HydrophobicContact CE1-CG 4.02Å; F28-F162 HydrophobicContact CE2-CB 3.41Å; F28-F162 VanDerWaalsContact CE2-CB 3.41Å; F28-F162 HydrophobicContact CE2-CD2 4Å; F28-F162 AromaticContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CG-CB 4.26Å; F28-F162 HydrophobicContact CG-CD1 4.38Å; F28-F162 AromaticContact CG-CD2 3.37Å; F28-F162 HydrophobicContact CG-CD2 3.37Å; F28-F162 AromaticContact CG-CE2 3.73Å; F28-F162 HydrophobicContact CG-CE2 3.73Å; F28-F162 AromaticContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CZ 4.36Å; F28-F162 HydrophobicContact CZ-CB 3.59Å; F28-F162 HydrophobicContact CZ-CD2 4.5Å; F28-F162 AromaticContact CZ-CG 4Å; F28-F162 HydrophobicContact CZ-CG 4Å
29	S	89.6	Confident	84.1	Confident	32 Å²	32	57 Å²	57	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-86.2	-31.2	-172.7	59.4	0	0	0	0	114.3	L25 F26	L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 PolarHBondContact O-OG 3.41Å; F26-S29 PolarHBondContact O-N 2.99Å
30	E	87.3	Confident	82.7	Confident	101 Å²	101	58.7 Å²	58.7	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-130.2	-1.1	-167.3	-66.1	173.6	-156.6	0	0	113.1	F26 A32 K46	F26-E30 WeakPolarHBondContact CD1-OE2 3.33Å; F26-E30 PolarHBondContact O-N 2.83Å; E30-A32 HydrophobicContact CB-CB 4.06Å; E30-A32 PolarHBondContact O-N 2.81Å; E30-A32 VanDerWaalsContact O-N 3.1Å; E30-K46 WeakPolarHBondContact OE1-CE 3.47Å; E30-K46 IonicContact OE1-NZ 2.83Å; E30-K46 PolarHBondContact OE1-NZ 3.08Å
31	D	85.4	Confident	81.4	Confident	112 Å²	112	65.2 Å²	65.2	60%	0.599	35%	0.353	S	S	*	.	S	Bend	trans	49.2	30.5	-169.2	-163.3	23.4	0	0	0	113.6	F26 R27	F26-D31 PolarHBondContact O-N 3.15Å; R27-D31 WeakPolarHBondContact CD-OD1 3.26Å; R27-D31 IonicContact CZ-OD1 2.59Å; R27-D31 PolarHBondContact NH1-O 3.34Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.34Å; R27-D31 VanDerWaalsContact O-CA 3.3Å; R27-D31 WeakPolarHBondContact O-CA 3.16Å; R27-D31 PolarHBondContact O-N 3.03Å
32	A	78.7	Confident	80.2	Confident	42 Å²	42	65.7 Å²	65.7	35%	0.347	36%	0.36	S	S	.	.			trans	-109.7	147.9	-177.1	0	0	0	0	0	111.2	F26 R27 E30	F26-A32 CarbonylContact C-O 3.54Å; R27-A32 WeakPolarHBondContact CA-O 3.46Å; R27-A32 PolarHBondContact N-O 2.94Å; E30-A32 HydrophobicContact CB-CB 4.06Å; E30-A32 PolarHBondContact O-N 2.81Å; E30-A32 VanDerWaalsContact O-N 3.1Å
33	F	76.5	Confident	79.5	Confident	74 Å²	74	66.1 Å²	66.1	33%	0.325	36%	0.361	S	S	.	.			trans	-135.2	122.9	171.2	-179.8	-96.6	0	0	0	110.2	C23 R27 T35 A152 K153	C23-F33 HydrophobicContact CB-CD2 4.31Å; C23-F33 HydrophobicContact CB-CE2 4.08Å; R27-F33 VanDerWaalsContact NH2-CB 3.29Å; F33-T35 HydrophobicContact CD1-CG2 4.31Å; F33-T35 HydrophobicContact CE1-CG2 3.79Å; F33-A152 HydrophobicContact CD2-CB 4.25Å; F33-A152 WeakPolarHBondContact CD2-O 3.44Å; F33-A152 HydrophobicContact CE2-CB 4.21Å; F33-K153 HydrophobicContact CD1-CG 4.27Å; F33-K153 HydrophobicContact CD2-CB 4.41Å; F33-K153 HydrophobicContact CE1-CB 4.12Å; F33-K153 HydrophobicContact CE1-CG 3.85Å; F33-K153 HydrophobicContact CE2-CB 3.97Å; F33-K153 HydrophobicContact CZ-CB 3.82Å; F33-K153 HydrophobicContact CZ-CG 4.03Å
34	N	73.5	Confident	79	Confident	101 Å²	101	67 Å²	67	54%	0.54	36%	0.363	S	S	.	.			trans	-105.9	128.4	174	-164.3	-27.2	0	0	0	109.4	T36	N34-T36 VanDerWaalsContact C-N 3.28Å; N34-T36 VanDerWaalsContact OD1-CB 3.28Å; N34-T36 WeakPolarHBondContact OD1-CB 3.35Å; N34-T36 PolarHBondContact OD1-N 3.39Å; N34-T36 PolarHBondContact OD1-OG1 3.3Å
35	T	65.9	Low	78.5	Confident	121 Å²	121	70.2 Å²	70.2	74%	0.742	38%	0.377	S	S	*	.			trans	-76.2	-17.7	176.6	46.9	0	0	0	0	112.8	F33 F37	F33-T35 HydrophobicContact CD1-CG2 4.31Å; F33-T35 HydrophobicContact CE1-CG2 3.79Å; T35-F37 PolarHBondContact O-N 3.14Å
36	T	67.9	Low	78.3	Confident	90 Å²	90	72.9 Å²	72.9	55%	0.552	39%	0.389	S	S	*	.	S	Bend	trans	-73.9	110	-179.4	-46.5	0	0	0	0	109.2	N34 I38	N34-T36 VanDerWaalsContact C-N 3.28Å; N34-T36 VanDerWaalsContact OD1-CB 3.28Å; N34-T36 WeakPolarHBondContact OD1-CB 3.35Å; N34-T36 PolarHBondContact OD1-N 3.39Å; N34-T36 PolarHBondContact OD1-OG1 3.3Å; T36-I38 HydrophobicContact CG2-CG1 4.08Å; T36-I38 PolarHBondContact O-N 3.45Å
37	F	60.9	Low	78.4	Confident	135 Å²	135	73.8 Å²	73.8	59%	0.592	40%	0.396	S	S	*	.			trans	-72.1	99.2	174.6	-176.4	-104.9	0	0	0	109.8	T35 S39	T35-F37 PolarHBondContact O-N 3.14Å; F37-S39 WeakPolarHBondContact CE1-OG 3.44Å
38	I	68.8	Low	78.4	Confident	128 Å²	128	75.2 Å²	75.2	66%	0.656	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-101.8	121.2	168.4	-56.2	176.9	0	0	0	106.6	T36 T40	T36-I38 HydrophobicContact CG2-CG1 4.08Å; T36-I38 PolarHBondContact O-N 3.45Å; I38-T40 PolarHBondContact O-N 2.85Å
39	S	70.6	Confident	78.4	Confident	64 Å²	64	78.5 Å²	78.5	45%	0.448	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-65.4	126.2	175.5	-66.7	0	0	0	0	109.4	F37 I41	F37-S39 WeakPolarHBondContact CE1-OG 3.44Å; S39-I41 PolarHBondContact O-N 2.82Å; S39-I41 VanDerWaalsContact O-N 3.16Å
40	T	66.1	Low	78.7	Confident	35 Å²	35	77.5 Å²	77.5	22%	0.215	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-61.8	117.9	174.3	-44.9	0	0	0	0	109.3	T22 I38 A65	T22-T40 PolarHBondContact OG1-OG1 2.69Å; I38-T40 PolarHBondContact O-N 2.85Å; T40-A65 VanDerWaalsContact O-CB 3.27Å; T40-A65 WeakPolarHBondContact O-CB 3.17Å
41	I	67	Low	79	Confident	149 Å²	149	79.2 Å²	79.2	76%	0.764	42%	0.422	S	S	*	.			trans	-91.5	113	172.1	-58.8	176.7	0	0	0	106.8	S39	S39-I41 PolarHBondContact O-N 2.82Å; S39-I41 VanDerWaalsContact O-N 3.16Å
42	G	69.2	Low	79.3	Confident	19 Å²	19	74.3 Å²	74.3	20%	0.196	40%	0.396	C	S	.	.	S	Bend	trans	79.4	-130.1	-178.9	0	0	0	0	0	113.2	A65	G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.7Å
43	I	76.7	Confident	79.8	Confident	42 Å²	42	78.2 Å²	78.2	22%	0.215	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.7	-173.8	-69.6	171.3	0	0	0	108.8	W62 D63 T64 I73 Y77	I43-W62 HydrophobicContact CG2-CE3 3.65Å; I43-W62 HydrophobicContact CG2-CZ3 4.3Å; I43-D63 CarbonylContact C-O 3.47Å; I43-D63 VanDerWaalsContact CA-O 3.27Å; I43-D63 WeakPolarHBondContact CA-O 3.38Å; I43-D63 WeakPolarHBondContact CG2-O 3.49Å; I43-T64 HydrophobicContact CG1-CG2 4.47Å; I43-I73 HydrophobicContact CD1-CG2 3.77Å; I43-Y77 HydrophobicContact CD1-CD1 4.25Å; I43-Y77 HydrophobicContact CD1-CD2 3.28Å; I43-Y77 HydrophobicContact CD1-CE1 4.02Å; I43-Y77 HydrophobicContact CD1-CE2 3.01Å; I43-Y77 HydrophobicContact CD1-CG 3.9Å; I43-Y77 HydrophobicContact CG1-CE2 4.44Å; I43-Y77 HydrophobicContact CG2-CE1 4.19Å
44	D	83.2	Confident	80.5	Confident	56 Å²	56	77.5 Å²	77.5	30%	0.299	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	155.4	173	-166.1	14.6	0	0	0	110.1	D63	D44-D63 HydrophobicContact CB-CB 4.38Å; D44-D63 PolarHBondContact N-O 3.39Å; D44-D63 PolarHBondContact O-N 3.26Å
45	F	85.8	Confident	81.5	Confident	68 Å²	68	76.3 Å²	76.3	30%	0.298	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.5	-172.9	171.6	-99.8	0	0	0	111	I47 Q60 I61 W62	F45-I47 HydrophobicContact CD1-CG1 4.42Å; F45-I47 HydrophobicContact CE1-CD1 3.62Å; F45-I47 HydrophobicContact CE1-CG1 3.41Å; F45-I47 VanDerWaalsContact CE1-CG1 3.41Å; F45-I47 HydrophobicContact CE2-CG1 4.4Å; F45-I47 HydrophobicContact CZ-CD1 3.68Å; F45-I47 HydrophobicContact CZ-CG1 3.4Å; F45-I47 VanDerWaalsContact CZ-CG1 3.4Å; F45-Q60 HydrophobicContact CE2-CB 3.71Å; F45-Q60 HydrophobicContact CE2-CG 3.87Å; F45-Q60 HydrophobicContact CZ-CB 4.13Å; F45-Q60 HydrophobicContact CZ-CG 3.75Å; F45-I61 WeakPolarHBondContact CA-O 3.24Å; F45-W62 HydrophobicContact CB-CE3 4.05Å; F45-W62 HydrophobicContact CB-CZ3 4.07Å; F45-W62 AromaticContact CD2-CD2 3.66Å; F45-W62 HydrophobicContact CD2-CD2 3.66Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 AromaticContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CG 4.24Å; F45-W62 HydrophobicContact CD2-CH2 4Å; F45-W62 AromaticContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ3 4.01Å; F45-W62 HydrophobicContact CE2-CD2 4.33Å; F45-W62 AromaticContact CE2-CE2 3.8Å; F45-W62 HydrophobicContact CE2-CH2 4.41Å; F45-W62 AromaticContact CE2-CZ2 3.87Å; F45-W62 HydrophobicContact CE2-CZ2 3.87Å; F45-W62 AromaticContact CE2-NE1 3.98Å; F45-W62 HydrophobicContact CG-CE3 4.34Å; F45-W62 HydrophobicContact CG-CH2 4.44Å; F45-W62 HydrophobicContact CG-CZ3 4.26Å
46	K	90.9	Very high	82.9	Confident	57 Å²	57	75.7 Å²	75.7	25%	0.248	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.4	174.7	-65.8	-76.2	179	168.2	0	111.1	L25 E30 I61	L25-K46 HydrophobicContact CD1-CB 3.95Å; L25-K46 HydrophobicContact CD1-CG 4.24Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.27Å; L25-K46 HydrophobicContact CG-CG 4Å; E30-K46 WeakPolarHBondContact OE1-CE 3.47Å; E30-K46 IonicContact OE1-NZ 2.83Å; E30-K46 PolarHBondContact OE1-NZ 3.08Å; K46-I61 PolarHBondContact N-O 3.02Å; K46-I61 PolarHBondContact O-N 3.43Å
47	I	93.4	Very high	84.3	Confident	80 Å²	80	71.4 Å²	71.4	41%	0.41	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.5	172.6	-58.7	-178.1	0	0	0	108.7	F45 K58 L59 Q60	F45-I47 HydrophobicContact CD1-CG1 4.42Å; F45-I47 HydrophobicContact CE1-CD1 3.62Å; F45-I47 HydrophobicContact CE1-CG1 3.41Å; F45-I47 VanDerWaalsContact CE1-CG1 3.41Å; F45-I47 HydrophobicContact CE2-CG1 4.4Å; F45-I47 HydrophobicContact CZ-CD1 3.68Å; F45-I47 HydrophobicContact CZ-CG1 3.4Å; F45-I47 VanDerWaalsContact CZ-CG1 3.4Å; I47-K58 HydrophobicContact CG2-CD 3.77Å; I47-K58 HydrophobicContact CG2-CG 3.52Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.44Å; I47-Q60 HydrophobicContact CG1-CG 4.33Å
48	R	94	Very high	86	Confident	69 Å²	69	67.4 Å²	67.4	26%	0.26	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.7	167.8	-175.8	170.4	174.4	-154.2	-8.5	108.8	F28 V50 L59 E159	F28-R48 HydrophobicContact CE1-CB 4.01Å; F28-R48 HydrophobicContact CE1-CG 4.19Å; F28-R48 VanDerWaalsContact O-CD 3.24Å; F28-R48 WeakPolarHBondContact O-CD 3.28Å; F28-R48 PolarHBondContact O-NH1 2.92Å; R48-V50 HydrophobicContact CG-CG1 4.13Å; R48-L59 PolarHBondContact N-O 3.08Å; R48-L59 VanDerWaalsContact N-O 3.09Å; R48-L59 WeakPolarHBondContact O-CA 3.37Å; R48-L59 WeakPolarHBondContact O-CB 3.47Å; R48-L59 PolarHBondContact O-N 2.81Å; R48-E159 IonicContact CZ-OE1 3.82Å; R48-E159 IonicContact NH1-OE1 2.74Å; R48-E159 PolarHBondContact NH1-OE1 3.01Å; R48-E159 IonicContact NH2-OE1 2.81Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å
49	T	94.9	Very high	87.3	Confident	73 Å²	73	61.3 Å²	61.3	45%	0.448	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.5	170.9	-53.8	0	0	0	0	107.9	K56 I57	T49-K56 HydrophobicContact CG2-CB 4.45Å; T49-I57 CarbonylContact C-O 3.59Å; T49-I57 WeakPolarHBondContact CA-O 3.25Å
50	V	95	Very high	88.5	Confident	11 Å²	11	60 Å²	60	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.3	176.9	-59.4	0	0	0	0	109.4	F28 R48 I57 L59 L163	F28-V50 HydrophobicContact CZ-CG1 3.99Å; R48-V50 HydrophobicContact CG-CG1 4.13Å; V50-I57 HydrophobicContact CG2-CB 4.06Å; V50-I57 PolarHBondContact N-O 3.35Å; V50-I57 PolarHBondContact O-N 3Å; V50-L59 HydrophobicContact CG1-CD1 4.06Å; V50-L59 HydrophobicContact CG2-CD1 3.91Å; V50-L59 HydrophobicContact CG2-CG 4.1Å; V50-L163 HydrophobicContact CB-CD2 4Å; V50-L163 HydrophobicContact CG1-CD2 4.08Å; V50-L163 HydrophobicContact CG2-CD2 3.98Å
51	E	94.1	Very high	89.9	Confident	138 Å²	138	58.4 Å²	58.4	65%	0.645	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.5	171	-169	170.3	157.6	0	0	108.9	K55	E51-K55 WeakPolarHBondContact CA-O 3.4Å
52	L	93.1	Very high	91.1	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	122.8	-175	-175.2	156.2	0	0	0	107.7	G54 K55 I57 A166 R167 M170	L52-G54 PolarHBondContact O-N 3.01Å; L52-K55 PolarHBondContact N-O 3.44Å; L52-K55 WeakPolarHBondContact O-CA 3.41Å; L52-K55 WeakPolarHBondContact O-CB 3.47Å; L52-K55 PolarHBondContact O-N 2.99Å; L52-I57 HydrophobicContact CB-CD1 3.74Å; L52-I57 HydrophobicContact CB-CG1 4.44Å; L52-I57 HydrophobicContact CD1-CD1 4.16Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CG-CD1 4.22Å; L52-A166 HydrophobicContact CD1-CB 3.88Å; L52-R167 HydrophobicContact CD1-CB 4.33Å; L52-R167 HydrophobicContact CD1-CG 3.44Å; L52-R167 VanDerWaalsContact CD1-CG 3.44Å; L52-R167 HydrophobicContact CD2-CG 3.89Å; L52-R167 HydrophobicContact CG-CG 3.83Å; L52-M170 HydrophobicContact CD2-SD 3.51Å; L52-M170 VanDerWaalsContact CD2-SD 3.51Å
53	D	89.3	Confident	92.1	Very high	125 Å²	125	53.5 Å²	53.5	67%	0.668	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	40.7	-176.7	-55.1	-28.7	0	0	0	113.7	K55 M170	D53-K55 PolarHBondContact O-N 2.95Å; D53-M170 HydrophobicContact CB-CE 4.25Å
54	G	90.7	Very high	92.4	Very high	58 Å²	58	51.5 Å²	51.5	60%	0.598	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	12.2	-178.1	0	0	0	0	0	114.6	L52	L52-G54 PolarHBondContact O-N 3.01Å
55	K	93.9	Very high	92.1	Very high	77 Å²	77	49 Å²	49	34%	0.335	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.7	176	-60.9	-62.9	-172.4	-177.1	0	110.7	D6 Y7 E51 L52 D53 I57 M170	D6-K55 HydrophobicContact CB-CB 4.27Å; D6-K55 HydrophobicContact CB-CD 4.13Å; Y7-K55 HydrophobicContact CD2-CB 4.16Å; Y7-K55 HydrophobicContact CE2-CB 4.12Å; Y7-K55 HydrophobicContact CE2-CD 4.19Å; Y7-K55 HydrophobicContact CE2-CG 3.96Å; E51-K55 WeakPolarHBondContact CA-O 3.4Å; L52-K55 PolarHBondContact N-O 3.44Å; L52-K55 WeakPolarHBondContact O-CA 3.41Å; L52-K55 WeakPolarHBondContact O-CB 3.47Å; L52-K55 PolarHBondContact O-N 2.99Å; D53-K55 PolarHBondContact O-N 2.95Å; K55-I57 PolarHBondContact O-N 3.09Å; K55-M170 HydrophobicContact CB-CE 4.16Å; K55-M170 HydrophobicContact CG-CE 3.62Å
56	K	95.6	Very high	90.9	Very high	108 Å²	108	46.3 Å²	46.3	47%	0.47	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	112.7	173.7	-69.4	-177	-179.8	-179.5	0	109.4	D6 Y7 T49	D6-K56 PolarHBondContact N-O 3.21Å; D6-K56 PolarHBondContact OD2-N 3.28Å; Y7-K56 PolarHBondContact N-O 2.77Å; T49-K56 HydrophobicContact CG2-CB 4.45Å
57	I	96.6	Very high	89.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.6	-177.5	-51.6	-175.9	0	0	0	108.7	Y7 F9 T49 V50 L52 K55 L59 M170	Y7-I57 HydrophobicContact CD2-CG1 4.44Å; F9-I57 HydrophobicContact CB-CG2 4.43Å; F9-I57 HydrophobicContact CD1-CG2 4.44Å; F9-I57 HydrophobicContact CD2-CD1 4.47Å; F9-I57 HydrophobicContact CD2-CG2 3.43Å; F9-I57 VanDerWaalsContact CD2-CG2 3.43Å; F9-I57 HydrophobicContact CE2-CD1 3.74Å; F9-I57 HydrophobicContact CE2-CG2 3.66Å; F9-I57 HydrophobicContact CG-CG2 3.85Å; F9-I57 HydrophobicContact CZ-CD1 4.23Å; F9-I57 HydrophobicContact CZ-CG2 4.23Å; T49-I57 CarbonylContact C-O 3.59Å; T49-I57 WeakPolarHBondContact CA-O 3.25Å; V50-I57 HydrophobicContact CG2-CB 4.06Å; V50-I57 PolarHBondContact N-O 3.35Å; V50-I57 PolarHBondContact O-N 3Å; L52-I57 HydrophobicContact CB-CD1 3.74Å; L52-I57 HydrophobicContact CB-CG1 4.44Å; L52-I57 HydrophobicContact CD1-CD1 4.16Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CG-CD1 4.22Å; K55-I57 PolarHBondContact O-N 3.09Å; I57-L59 HydrophobicContact CG2-CD2 3.74Å; I57-L59 HydrophobicContact CG2-CG 4.49Å; I57-L59 PolarHBondContact O-N 3.22Å; I57-M170 HydrophobicContact CD1-SD 3.89Å
58	K	96.4	Very high	87.7	Confident	51 Å²	51	49 Å²	49	22%	0.222	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	111	170	-178.3	172.8	-89.9	-172.3	0	108.8	Y5 Y7 L8 F9 I47	Y5-K58 HydrophobicContact CD1-CB 4.26Å; Y5-K58 HydrophobicContact CD1-CD 4.17Å; Y5-K58 HydrophobicContact CD2-CB 4.2Å; Y5-K58 HydrophobicContact CE1-CD 4.15Å; Y5-K58 HydrophobicContact CG-CB 3.94Å; Y7-K58 PolarHBondContact O-N 3.2Å; L8-K58 WeakPolarHBondContact CA-O 3.49Å; L8-K58 HydrophobicContact CD1-CB 3.85Å; L8-K58 HydrophobicContact CD1-CD 3.77Å; L8-K58 HydrophobicContact CD1-CG 3.68Å; F9-K58 PolarHBondContact N-O 2.66Å; I47-K58 HydrophobicContact CG2-CD 3.77Å; I47-K58 HydrophobicContact CG2-CG 3.52Å
59	L	96.9	Very high	86	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126	173.8	-56.4	179.4	0	0	0	109.6	F9 L11 F28 I47 R48 V50 I57 I61 A166	F9-L59 HydrophobicContact CB-CD2 3.9Å; F9-L59 HydrophobicContact CD2-CD2 4.08Å; F9-L59 HydrophobicContact CG-CD2 4.44Å; L11-L59 HydrophobicContact CD1-CD1 4.42Å; L11-L59 HydrophobicContact CD1-CD2 4.29Å; F28-L59 HydrophobicContact CE1-CD1 3.91Å; F28-L59 HydrophobicContact CZ-CD1 3.78Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.44Å; R48-L59 PolarHBondContact N-O 3.08Å; R48-L59 VanDerWaalsContact N-O 3.09Å; R48-L59 WeakPolarHBondContact O-CA 3.37Å; R48-L59 WeakPolarHBondContact O-CB 3.47Å; R48-L59 PolarHBondContact O-N 2.81Å; V50-L59 HydrophobicContact CG1-CD1 4.06Å; V50-L59 HydrophobicContact CG2-CD1 3.91Å; V50-L59 HydrophobicContact CG2-CG 4.1Å; I57-L59 HydrophobicContact CG2-CD2 3.74Å; I57-L59 HydrophobicContact CG2-CG 4.49Å; I57-L59 PolarHBondContact O-N 3.22Å; L59-I61 HydrophobicContact CB-CD1 4.33Å; L59-I61 HydrophobicContact CB-CG1 4.15Å; L59-A166 HydrophobicContact CD2-CB 4.14Å
60	Q	95.6	Very high	84.2	Confident	37 Å²	37	53.5 Å²	53.5	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.8	171.2	-81.3	-168	-21.2	0	0	107.8	L8 F9 K10 L11 F45 I47	L8-Q60 HydrophobicContact CD1-CG 3.75Å; F9-Q60 PolarHBondContact O-N 2.68Å; K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.07Å; K10-Q60 HydrophobicContact CG-CB 4.19Å; L11-Q60 PolarHBondContact N-O 3.23Å; F45-Q60 HydrophobicContact CE2-CB 3.71Å; F45-Q60 HydrophobicContact CE2-CG 3.87Å; F45-Q60 HydrophobicContact CZ-CB 4.13Å; F45-Q60 HydrophobicContact CZ-CG 3.75Å; I47-Q60 HydrophobicContact CG1-CG 4.33Å
61	I	95	Very high	82.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.5	-171.4	-49.6	168.5	0	0	0	109	L11 L13 L25 F28 F45 K46 L59 F162	L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.39Å; L11-I61 HydrophobicContact CD1-CG1 4.3Å; L11-I61 WeakPolarHBondContact O-CA 3.36Å; L13-I61 HydrophobicContact CD1-CG2 4.23Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L25-I61 HydrophobicContact CD1-CB 3.75Å; L25-I61 HydrophobicContact CD1-CD1 3.92Å; L25-I61 HydrophobicContact CD1-CG1 4.45Å; L25-I61 HydrophobicContact CD1-CG2 3.6Å; F28-I61 HydrophobicContact CD1-CD1 3.55Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F45-I61 WeakPolarHBondContact CA-O 3.24Å; K46-I61 PolarHBondContact N-O 3.02Å; K46-I61 PolarHBondContact O-N 3.43Å; L59-I61 HydrophobicContact CB-CD1 4.33Å; L59-I61 HydrophobicContact CB-CG1 4.15Å; I61-F162 HydrophobicContact CD1-CD1 3.97Å; I61-F162 HydrophobicContact CD1-CE1 3.83Å; I61-F162 HydrophobicContact CG2-CE1 4.04Å
62	W	92.7	Very high	80.7	Confident	65 Å²	65	56.3 Å²	56.3	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.9	178.2	-61.7	90	0	0	0	109.3	L11 L12 L13 I43 F45 Y77	L11-W62 PolarHBondContact O-N 2.91Å; L12-W62 HydrophobicContact CD1-CB 3.6Å; L13-W62 PolarHBondContact N-O 3.18Å; I43-W62 HydrophobicContact CG2-CE3 3.65Å; I43-W62 HydrophobicContact CG2-CZ3 4.3Å; F45-W62 HydrophobicContact CB-CE3 4.05Å; F45-W62 HydrophobicContact CB-CZ3 4.07Å; F45-W62 AromaticContact CD2-CD2 3.66Å; F45-W62 HydrophobicContact CD2-CD2 3.66Å; F45-W62 AromaticContact CD2-CE2 3.59Å; F45-W62 AromaticContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CE3 3.85Å; F45-W62 HydrophobicContact CD2-CG 4.24Å; F45-W62 HydrophobicContact CD2-CH2 4Å; F45-W62 AromaticContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ2 3.79Å; F45-W62 HydrophobicContact CD2-CZ3 4.01Å; F45-W62 HydrophobicContact CE2-CD2 4.33Å; F45-W62 AromaticContact CE2-CE2 3.8Å; F45-W62 HydrophobicContact CE2-CH2 4.41Å; F45-W62 AromaticContact CE2-CZ2 3.87Å; F45-W62 HydrophobicContact CE2-CZ2 3.87Å; F45-W62 AromaticContact CE2-NE1 3.98Å; F45-W62 HydrophobicContact CG-CE3 4.34Å; F45-W62 HydrophobicContact CG-CH2 4.44Å; F45-W62 HydrophobicContact CG-CZ3 4.26Å; W62-Y77 AromaticContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CE1 4.14Å; W62-Y77 AromaticContact CE3-CD1 3.7Å; W62-Y77 HydrophobicContact CE3-CD1 3.7Å; W62-Y77 AromaticContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CG-CD1 4.4Å; W62-Y77 HydrophobicContact CH2-CE1 4.01Å; W62-Y77 HydrophobicContact CZ3-CD1 4.05Å; W62-Y77 AromaticContact CZ3-CE1 3.44Å; W62-Y77 HydrophobicContact CZ3-CE1 3.44Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.44Å
63	D	90	Very high	79.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.9	171.2	179.5	43	0	0	0	110.2	K21 T22 L25 I43 D44	K21-D63 WeakPolarHBondContact CB-OD1 3.43Å; T22-D63 WeakPolarHBondContact CA-OD2 3.46Å; T22-D63 VanDerWaalsContact CB-OD2 3.29Å; T22-D63 WeakPolarHBondContact CB-OD2 3.44Å; T22-D63 PolarHBondContact N-OD1 3.01Å; T22-D63 PolarHBondContact OG1-OD2 3.27Å; L25-D63 HydrophobicContact CD2-CB 3.58Å; I43-D63 CarbonylContact C-O 3.47Å; I43-D63 VanDerWaalsContact CA-O 3.27Å; I43-D63 WeakPolarHBondContact CA-O 3.38Å; I43-D63 WeakPolarHBondContact CG2-O 3.49Å; D44-D63 HydrophobicContact CB-CB 4.38Å; D44-D63 PolarHBondContact N-O 3.39Å; D44-D63 PolarHBondContact O-N 3.26Å
64	T	84.3	Confident	78	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.5	-173.7	65.2	0	0	0	0	111.5	L12 L13 K21 I43 G66 T74	L12-T64 HydrophobicContact CD1-CG2 3.44Å; L12-T64 VanDerWaalsContact CD1-CG2 3.44Å; L12-T64 HydrophobicContact CG-CG2 4.26Å; L13-T64 WeakPolarHBondContact O-CG2 3.29Å; L13-T64 PolarHBondContact O-OG1 3.44Å; K21-T64 WeakPolarHBondContact CE-O 3.18Å; I43-T64 HydrophobicContact CG1-CG2 4.47Å; T64-G66 PolarHBondContact O-N 3.04Å; T64-T74 HydrophobicContact CG2-CG2 3.92Å
65	A	76.3	Confident	77.1	Confident	5 Å²	5	53.8 Å²	53.8	4%	0.041	25%	0.251	C	S	.	.			trans	-58.9	123.7	165.8	0	0	0	0	0	109.7	T40 G42 Q67 F70	T40-A65 VanDerWaalsContact O-CB 3.27Å; T40-A65 WeakPolarHBondContact O-CB 3.17Å; G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.7Å; A65-Q67 PolarHBondContact O-N 3.27Å; A65-F70 HydrophobicContact CB-CB 4.18Å; A65-F70 HydrophobicContact CB-CD2 3.89Å; A65-F70 HydrophobicContact CB-CG 4.32Å
66	G	61.2	Low	76.2	Confident	10 Å²	10	53.5 Å²	53.5	10%	0.103	26%	0.262	C	S	.	.			trans	-80.9	8	177.7	0	0	0	0	0	114.3	G15 S17 T64	G15-G66 WeakPolarHBondContact O-CA 3.43Å; S17-G66 PolarHBondContact N-O 3.12Å; T64-G66 PolarHBondContact O-N 3.04Å
67	Q	60.6	Low	75.5	Confident	61 Å²	61	52 Å²	52	29%	0.285	25%	0.254	S	S	.	.			trans	-81.7	133.4	-179	-130	-167.9	12.6	0	0	110.4	A65 R69 F70	A65-Q67 PolarHBondContact O-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.22Å; Q67-R69 VanDerWaalsContact OE1-NE 3.1Å; Q67-F70 HydrophobicContact CB-CD2 3.81Å; Q67-F70 HydrophobicContact CB-CE2 4.3Å; Q67-F70 PolarHBondContact O-N 3.14Å
68	E	56.4	Low	75	Confident	134 Å²	134	52.2 Å²	52.2	63%	0.626	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-55.8	-30.5	-178.8	58.9	-82.5	167.4	0	0	113.5	F70 R71	E68-F70 PolarHBondContact O-N 3.3Å; E68-F70 VanDerWaalsContact O-N 3.15Å; E68-R71 PolarHBondContact O-N 3Å
69	R	57.8	Low	74.3	Confident	178 Å²	178	60.3 Å²	60.3	67%	0.672	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-62.2	-19.4	177.3	-62.5	-172.2	-63.4	-179.7	1.8	114.1	Q67	Q67-R69 PolarHBondContact O-N 3.22Å; Q67-R69 VanDerWaalsContact OE1-NE 3.1Å
70	F	57.8	Low	73.9	Confident	58 Å²	58	62.3 Å²	62.3	25%	0.254	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-108.7	5	-178.5	-59.8	-62.9	0	0	0	113.7	A65 Q67 E68 T72 I73	A65-F70 HydrophobicContact CB-CB 4.18Å; A65-F70 HydrophobicContact CB-CD2 3.89Å; A65-F70 HydrophobicContact CB-CG 4.32Å; Q67-F70 HydrophobicContact CB-CD2 3.81Å; Q67-F70 HydrophobicContact CB-CE2 4.3Å; Q67-F70 PolarHBondContact O-N 3.14Å; E68-F70 PolarHBondContact O-N 3.3Å; E68-F70 VanDerWaalsContact O-N 3.15Å; F70-T72 PolarHBondContact O-N 3.39Å; F70-T72 VanDerWaalsContact O-N 3.16Å; F70-I73 HydrophobicContact CB-CD1 4.41Å; F70-I73 HydrophobicContact CD1-CD1 3.75Å; F70-I73 WeakPolarHBondContact O-CB 3.25Å; F70-I73 PolarHBondContact O-N 3.28Å
71	R	56.9	Low	73.8	Confident	87 Å²	87	61 Å²	61	33%	0.328	30%	0.3	S	S	.	.	H	α-helix	trans	-56.1	-33.1	-179.8	-81.6	-179.8	170	-169.6	-1.1	113.6	E68 I73 T74 W102	E68-R71 PolarHBondContact O-N 3Å; R71-I73 VanDerWaalsContact C-N 3.26Å; R71-I73 PolarHBondContact O-N 3.08Å; R71-T74 WeakPolarHBondContact O-CB 3.3Å; R71-T74 PolarHBondContact O-N 3.17Å; R71-T74 PolarHBondContact O-OG1 3Å; R71-W102 HydrophobicContact CG-CH2 4.25Å
72	T	57.5	Low	73.9	Confident	120 Å²	120	63.4 Å²	63.4	74%	0.736	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-30.6	176.1	-48	0	0	0	0	112.6	F70 T74 T75	F70-T72 PolarHBondContact O-N 3.39Å; F70-T72 VanDerWaalsContact O-N 3.16Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T72-T75 PolarHBondContact O-OG1 2.71Å
73	I	59.9	Low	74.1	Confident	77 Å²	77	60.3 Å²	60.3	40%	0.395	30%	0.301	S	S	.	.	H	α-helix	trans	-71.4	-32.1	177.8	-57.2	-179.2	0	0	0	109.9	I43 F70 R71 T75 Y77	I43-I73 HydrophobicContact CD1-CG2 3.77Å; F70-I73 HydrophobicContact CB-CD1 4.41Å; F70-I73 HydrophobicContact CD1-CD1 3.75Å; F70-I73 WeakPolarHBondContact O-CB 3.25Å; F70-I73 PolarHBondContact O-N 3.28Å; R71-I73 VanDerWaalsContact C-N 3.26Å; R71-I73 PolarHBondContact O-N 3.08Å; I73-T75 PolarHBondContact O-N 2.71Å; I73-Y77 HydrophobicContact CG2-CE2 4.17Å; I73-Y77 VanDerWaalsContact O-CD2 3.22Å; I73-Y77 WeakPolarHBondContact O-CD2 3.42Å; I73-Y77 WeakPolarHBondContact O-CE2 3.31Å
74	T	66.3	Low	74.5	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-32.6	-175.7	-41.7	0	0	0	0	113.2	I14 T64 R71 T72 A76 Y77 Y78	I14-T74 HydrophobicContact CG2-CG2 4.43Å; T64-T74 HydrophobicContact CG2-CG2 3.92Å; R71-T74 WeakPolarHBondContact O-CB 3.3Å; R71-T74 PolarHBondContact O-N 3.17Å; R71-T74 PolarHBondContact O-OG1 3Å; T72-T74 VanDerWaalsContact C-N 3.31Å; T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 3.36Å; T74-Y77 PolarHBondContact O-N 2.79Å; T74-Y78 HydrophobicContact CG2-CD2 4.28Å; T74-Y78 HydrophobicContact CG2-CE2 3.53Å; T74-Y78 WeakPolarHBondContact O-CD2 3.5Å; T74-Y78 PolarHBondContact O-N 2.85Å
75	T	71.4	Confident	75.1	Confident	58 Å²	58	60.3 Å²	60.3	36%	0.356	30%	0.301	S	S	.	.	H	α-helix	trans	-55.8	-38.1	-174.7	58.1	0	0	0	0	112.8	T72 I73 Y77 Y78	T72-T75 PolarHBondContact O-OG1 2.71Å; I73-T75 PolarHBondContact O-N 2.71Å; T75-Y77 PolarHBondContact O-N 2.61Å; T75-Y78 PolarHBondContact O-N 2.92Å
76	A	75.1	Confident	76.1	Confident	70 Å²	70	60 Å²	60	58%	0.579	30%	0.299	S	S	*	.	H	α-helix	trans	-62.6	-26.4	177.4	0	0	0	0	0	113.8	T74	T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 3.36Å
77	Y	80.8	Confident	77.8	Confident	77 Å²	77	59.6 Å²	59.6	30%	0.302	29%	0.294	S	S	.	.	H	α-helix	trans	-91.5	-14.7	-175.5	-64.3	-93.7	0	0	0	113.5	I43 W62 I73 T74 T75 R79	I43-Y77 HydrophobicContact CD1-CD1 4.25Å; I43-Y77 HydrophobicContact CD1-CD2 3.28Å; I43-Y77 HydrophobicContact CD1-CE1 4.02Å; I43-Y77 HydrophobicContact CD1-CE2 3.01Å; I43-Y77 HydrophobicContact CD1-CG 3.9Å; I43-Y77 HydrophobicContact CG1-CE2 4.44Å; I43-Y77 HydrophobicContact CG2-CE1 4.19Å; W62-Y77 AromaticContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CD1 3.88Å; W62-Y77 HydrophobicContact CD2-CE1 4.14Å; W62-Y77 AromaticContact CE3-CD1 3.7Å; W62-Y77 HydrophobicContact CE3-CD1 3.7Å; W62-Y77 AromaticContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CE3-CE1 3.51Å; W62-Y77 HydrophobicContact CG-CD1 4.4Å; W62-Y77 HydrophobicContact CH2-CE1 4.01Å; W62-Y77 HydrophobicContact CZ3-CD1 4.05Å; W62-Y77 AromaticContact CZ3-CE1 3.44Å; W62-Y77 HydrophobicContact CZ3-CE1 3.44Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.44Å; I73-Y77 HydrophobicContact CG2-CE2 4.17Å; I73-Y77 VanDerWaalsContact O-CD2 3.22Å; I73-Y77 WeakPolarHBondContact O-CD2 3.42Å; I73-Y77 WeakPolarHBondContact O-CE2 3.31Å; T74-Y77 PolarHBondContact O-N 2.79Å; T75-Y77 PolarHBondContact O-N 2.61Å; Y77-R79 PolarHBondContact O-N 2.93Å
78	Y	85.3	Confident	79.6	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-30.7	167.1	-70.2	-92.9	0	0	0	110.7	L12 I14 T74 T75 G80 A81 I84 I106 H109 A110	L12-Y78 HydrophobicContact CD2-CD1 4.24Å; L12-Y78 HydrophobicContact CD2-CD2 4.44Å; L12-Y78 HydrophobicContact CD2-CE1 4.36Å; L12-Y78 HydrophobicContact CD2-CG 4.29Å; I14-Y78 HydrophobicContact CD1-CE1 4.25Å; T74-Y78 HydrophobicContact CG2-CD2 4.28Å; T74-Y78 HydrophobicContact CG2-CE2 3.53Å; T74-Y78 WeakPolarHBondContact O-CD2 3.5Å; T74-Y78 PolarHBondContact O-N 2.85Å; T75-Y78 PolarHBondContact O-N 2.92Å; Y78-G80 PolarHBondContact O-N 2.95Å; Y78-G80 VanDerWaalsContact O-N 3.15Å; Y78-A81 PolarHBondContact O-N 3.31Å; Y78-I84 HydrophobicContact CD1-CD1 3.72Å; Y78-I84 HydrophobicContact CE1-CD1 4.15Å; Y78-I106 HydrophobicContact CD1-CG1 4.27Å; Y78-I106 HydrophobicContact CE1-CB 4.39Å; Y78-I106 HydrophobicContact CE1-CG1 3.69Å; Y78-H109 HydrophobicContact CD2-CB 4.3Å; Y78-H109 HydrophobicContact CG-CB 4.09Å; Y78-A110 HydrophobicContact CD1-CB 4.13Å
79	R	83.3	Confident	81.6	Confident	221 Å²	221	50.7 Å²	50.7	83%	0.834	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	113.2	178.9	-170.4	174.6	-178.9	156.4	1.2	110.8	Y77 A81	Y77-R79 PolarHBondContact O-N 2.93Å; R79-A81 VanDerWaalsContact C-N 3.32Å
80	G	87.3	Confident	83.6	Confident	43 Å²	43	42.2 Å²	42.2	44%	0.443	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	7.2	179.1	0	0	0	0	0	114.3	K10 Y78	K10-G80 WeakPolarHBondContact CD-O 3.27Å; Y78-G80 PolarHBondContact O-N 2.95Å; Y78-G80 VanDerWaalsContact O-N 3.15Å
81	A	94.1	Very high	85.5	Confident	8 Å²	8	40.6 Å²	40.6	7%	0.066	22%	0.215	C	C	.	.			trans	-63.5	132.3	161.1	0	0	0	0	0	108.8	L12 Y78 R79 I84 V114	L12-A81 HydrophobicContact CB-CB 4.36Å; Y78-A81 PolarHBondContact O-N 3.31Å; R79-A81 VanDerWaalsContact C-N 3.32Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 HydrophobicContact CB-CG1 4.05Å; A81-V114 HydrophobicContact CB-CG2 4.42Å; A81-V114 WeakPolarHBondContact O-CG2 3.3Å
82	M	96.7	Very high	87.5	Confident	51 Å²	51	39.5 Å²	39.5	25%	0.251	22%	0.216	S	C	.	.	S	Bend	trans	-97.6	-29.5	177.2	-61	175.1	71.7	0	0	110.8	F9 K10 E115 I169 L173	F9-M82 HydrophobicContact CB-SD 4.38Å; F9-M82 HydrophobicContact CD1-CE 3.6Å; F9-M82 HydrophobicContact CD1-SD 3.97Å; F9-M82 HydrophobicContact CE1-CE 4.01Å; F9-M82 HydrophobicContact CG-CE 4.49Å; K10-M82 PolarHBondContact O-N 2.55Å; M82-E115 PolarHBondContact O-N 3.08Å; M82-I169 HydrophobicContact CB-CD1 4.09Å; M82-I169 HydrophobicContact CB-CG1 4.46Å; M82-I169 HydrophobicContact CB-CG2 4.06Å; M82-I169 HydrophobicContact CE-CG2 3.67Å; M82-L173 HydrophobicContact CE-CD1 3.76Å; M82-L173 HydrophobicContact CE-CD2 4.24Å; M82-L173 HydrophobicContact CE-CG 4.37Å
83	G	97.4	Very high	89.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.4	170.5	0	0	0	0	0	111.9	K10 L11 L12 E115	K10-G83 PolarHBondContact O-N 3.33Å; L11-G83 CarbonylContact C-O 3.51Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.32Å; L12-G83 PolarHBondContact N-O 3.02Å; G83-E115 CarbonylContact C-O 3.35Å; G83-E115 VanDerWaalsContact CA-O 3.24Å; G83-E115 WeakPolarHBondContact CA-O 3.46Å
84	I	97.1	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.7	176.8	-60.2	175.6	0	0	0	109	L12 I14 Y78 A81 I106 A110 V114 E115 K116 M117	L12-I84 HydrophobicContact CB-CG1 4.21Å; L12-I84 WeakPolarHBondContact O-CA 3.29Å; I14-I84 HydrophobicContact CD1-CG2 3.75Å; I14-I84 HydrophobicContact CG1-CG2 3.84Å; I14-I84 HydrophobicContact CG2-CG2 4.34Å; Y78-I84 HydrophobicContact CD1-CD1 3.72Å; Y78-I84 HydrophobicContact CE1-CD1 4.15Å; A81-I84 HydrophobicContact CB-CD1 4.33Å; A81-I84 HydrophobicContact CB-CG1 4.05Å; I84-I106 HydrophobicContact CB-CD1 4.31Å; I84-I106 HydrophobicContact CD1-CD1 4.36Å; I84-I106 HydrophobicContact CD1-CG1 3.94Å; I84-I106 HydrophobicContact CD1-CG2 3.9Å; I84-I106 HydrophobicContact CG2-CD1 3.77Å; I84-I106 HydrophobicContact CG2-CG1 4.21Å; I84-A110 HydrophobicContact CD1-CB 4.02Å; I84-V114 HydrophobicContact CB-CG2 4.49Å; I84-V114 HydrophobicContact CD1-CG1 4.27Å; I84-V114 HydrophobicContact CD1-CG2 3.74Å; I84-V114 HydrophobicContact CG1-CG2 3.64Å; I84-E115 PolarHBondContact N-O 3.43Å; I84-K116 WeakPolarHBondContact O-CA 3.41Å; I84-M117 PolarHBondContact O-N 3.38Å
85	M	97.8	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.8	173.5	-52	-178.3	95.6	0	0	109.4	L12 L13 I14 M117 L119 G161 F162 L165	L12-M85 PolarHBondContact O-N 2.9Å; L13-M85 HydrophobicContact CD2-CB 3.66Å; L13-M85 HydrophobicContact CD2-CG 3.97Å; L13-M85 HydrophobicContact CD2-SD 3.69Å; I14-M85 PolarHBondContact N-O 2.78Å; M85-M117 CarbonylContact C-O 3.54Å; M85-M117 WeakPolarHBondContact CA-O 3.37Å; M85-M117 HydrophobicContact CE-SD 3.94Å; M85-L119 HydrophobicContact CB-CD1 4.4Å; M85-L119 HydrophobicContact CE-CD1 3.64Å; M85-L119 HydrophobicContact CE-CD2 4.06Å; M85-L119 HydrophobicContact CE-CG 4.11Å; M85-L119 HydrophobicContact SD-CD1 4.31Å; M85-G161 VanDerWaalsContact CE-C 3.44Å; M85-G161 WeakPolarHBondContact CE-O 3.39Å; M85-F162 HydrophobicContact CE-CD1 4.44Å; M85-F162 HydrophobicContact CE-CG 4.45Å; M85-F162 HydrophobicContact SD-CD1 3.64Å; M85-F162 HydrophobicContact SD-CE1 3.54Å; M85-F162 VanDerWaalsContact SD-CE1 3.54Å; M85-F162 HydrophobicContact SD-CG 4.2Å; M85-F162 HydrophobicContact SD-CZ 4.04Å; M85-L165 HydrophobicContact CG-CD2 3.39Å; M85-L165 HydrophobicContact SD-CD2 4.19Å
86	L	97	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.2	176.5	-56.8	92.8	0	0	0	109.1	I14 I99 W102 I103 I106 K116 M117 I118 L119	I14-L86 HydrophobicContact CD1-CD2 4.18Å; I14-L86 HydrophobicContact CD1-CG 4Å; I14-L86 HydrophobicContact CG1-CB 4.41Å; I14-L86 HydrophobicContact CG1-CG 4.01Å; L86-I99 HydrophobicContact CB-CD1 3.93Å; L86-I99 HydrophobicContact CD2-CG2 4.19Å; L86-W102 HydrophobicContact CD2-CB 3.83Å; L86-I103 HydrophobicContact CD2-CG1 3.56Å; L86-I106 HydrophobicContact CD1-CD1 3.78Å; L86-I106 HydrophobicContact CD2-CD1 3.76Å; L86-I106 HydrophobicContact CG-CD1 3.9Å; L86-K116 HydrophobicContact CD1-CB 4.42Å; L86-M117 WeakPolarHBondContact CD1-O 3.24Å; L86-M117 PolarHBondContact N-O 3.3Å; L86-I118 HydrophobicContact CB-CG1 4.42Å; L86-I118 HydrophobicContact CD1-CG1 4.4Å; L86-I118 CarbonylContact O-C 3.6Å; L86-I118 WeakPolarHBondContact O-CA 3.43Å; L86-L119 PolarHBondContact O-N 3.06Å
87	V	98.1	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.2	-174.6	-168.6	0	0	0	0	110.2	I14 G15 V19 K21 L24 L119 N121	I14-V87 PolarHBondContact O-N 3.12Å; G15-V87 WeakPolarHBondContact CA-O 3.37Å; V19-V87 HydrophobicContact CB-CG1 4.29Å; V19-V87 HydrophobicContact CG2-CB 3.91Å; V19-V87 HydrophobicContact CG2-CG1 3.84Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG2 4.03Å; L24-V87 HydrophobicContact CD1-CG1 3.78Å; L24-V87 HydrophobicContact CD1-CG2 4.08Å; V87-L119 WeakPolarHBondContact CA-O 2.94Å; V87-L119 HydrophobicContact CG1-CB 4.45Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.25Å; V87-N121 HydrophobicContact CG1-CB 3.81Å
88	Y	98.4	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	167.1	164.1	72.1	-88.5	0	0	0	110.6	I90 F96 I99 I118 L119 G120 N121 V131 F147	Y88-I90 HydrophobicContact CE2-CG2 3.96Å; Y88-F96 HydrophobicContact CD1-CD2 4.16Å; Y88-F96 HydrophobicContact CD2-CB 3.82Å; Y88-F96 HydrophobicContact CD2-CD2 4.06Å; Y88-F96 HydrophobicContact CD2-CG 4.43Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.46Å; Y88-F96 HydrophobicContact CE2-CB 4.26Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.46Å; Y88-F96 HydrophobicContact CG-CB 4.16Å; Y88-F96 HydrophobicContact CG-CD2 4.22Å; Y88-F96 AromaticContact CZ-CD2 3.77Å; Y88-I99 HydrophobicContact CD1-CD1 4.19Å; Y88-I99 HydrophobicContact CD1-CG1 4.01Å; Y88-I99 HydrophobicContact CG-CG1 4.33Å; Y88-I118 HydrophobicContact CD1-CG2 3.9Å; Y88-I118 HydrophobicContact CE1-CG2 3.7Å; Y88-L119 WeakPolarHBondContact CD1-O 3.38Å; Y88-L119 PolarHBondContact N-O 3.47Å; Y88-G120 VanDerWaalsContact CZ-CA 3.49Å; Y88-N121 WeakPolarHBondContact O-CB 3.44Å; Y88-N121 PolarHBondContact O-N 3.23Å; Y88-V131 HydrophobicContact CE2-CB 4.07Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.45Å; Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 VanDerWaalsContact OH-CE2 3.28Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.05Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.29Å
89	D	98.3	Very high	96.2	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123	176.2	174.8	-6.8	0	0	0	109.2	V19 T91 N92 S95 K122	V19-D89 HydrophobicContact CB-CB 4.27Å; V19-D89 HydrophobicContact CG1-CB 4.23Å; D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.08Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CA 3.33Å; D89-T91 WeakPolarHBondContact OD1-CB 3.46Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.44Å; D89-T91 PolarHBondContact OD2-OG1 2.8Å; D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 2.9Å; D89-S95 PolarHBondContact N-OG 3.2Å; D89-S95 PolarHBondContact O-OG 2.87Å; D89-K122 WeakPolarHBondContact OD2-CD 3.47Å; D89-K122 WeakPolarHBondContact OD2-CE 3.17Å; D89-K122 IonicContact OD2-NZ 2.81Å; D89-K122 PolarHBondContact OD2-NZ 2.83Å
90	I	98.6	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	-178.8	65.5	146.8	0	0	0	113.4	Y88 N121 K122 C123 R129 Q130 V131	Y88-I90 HydrophobicContact CE2-CG2 3.96Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 3.36Å; I90-K122 WeakPolarHBondContact CD1-O 3.28Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; I90-C123 HydrophobicContact CD1-CB 4.49Å; I90-R129 HydrophobicContact CD1-CB 4.25Å; I90-R129 HydrophobicContact CD1-CG 4.21Å; I90-R129 VanDerWaalsContact CD1-CZ 3.46Å; I90-Q130 PolarHBondContact O-N 2.78Å; I90-V131 PolarHBondContact O-N 2.92Å
91	T	98.3	Very high	97	Very high	24 Å²	24	30.1 Å²	30.1	15%	0.147	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.1	178	72.5	0	0	0	0	112.9	D89 M125 K128 Q130	D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 3.08Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CA 3.33Å; D89-T91 WeakPolarHBondContact OD1-CB 3.46Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.44Å; D89-T91 PolarHBondContact OD2-OG1 2.8Å; T91-M125 HydrophobicContact CG2-CB 3.7Å; T91-M125 HydrophobicContact CG2-CE 4.31Å; T91-M125 HydrophobicContact CG2-SD 4.5Å; T91-K128 WeakPolarHBondContact CA-O 3.43Å; T91-K128 WeakPolarHBondContact CB-O 3.5Å; T91-K128 HydrophobicContact CG2-CB 3.88Å; T91-Q130 PolarHBondContact O-NE2 3.05Å; T91-Q130 VanDerWaalsContact O-NE2 3.14Å; T91-Q130 PolarHBondContact O-OE1 2.82Å
92	N	97.8	Very high	96.9	Very high	64 Å²	64	29.9 Å²	29.9	34%	0.342	14%	0.143	S	C	.	.			trans	-136.4	98.8	-178.5	-178.2	-22.2	0	0	0	110.9	D89 K94 S95	D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 2.9Å; N92-K94 VanDerWaalsContact C-N 3.31Å; N92-K94 PolarHBondContact O-N 2.98Å; N92-K94 WeakPolarHBondContact OD1-CB 3.19Å; N92-K94 PolarHBondContact OD1-N 2.84Å; N92-K94 VanDerWaalsContact OD1-N 3.17Å; N92-S95 WeakPolarHBondContact O-CB 3.45Å; N92-S95 PolarHBondContact O-N 2.67Å; N92-S95 VanDerWaalsContact O-N 3.12Å; N92-S95 PolarHBondContact O-OG 2.99Å; N92-S95 PolarHBondContact OD1-N 2.86Å
93	E	97.8	Very high	96.8	Very high	78 Å²	78	27.5 Å²	27.5	36%	0.364	13%	0.131	S	C	.	.	H	α-helix	trans	-58.1	-38.5	-178.5	-179	158.7	-135.1	0	0	113.7	S95 F96 D97 Q130 R135	E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 3.11Å; E93-F96 WeakPolarHBondContact O-CB 3.4Å; E93-F96 PolarHBondContact O-N 3.03Å; E93-D97 PolarHBondContact O-N 3.45Å; E93-Q130 HydrophobicContact CB-CB 4.34Å; E93-R135 IonicContact OE1-CZ 3.64Å; E93-R135 VanDerWaalsContact OE1-CZ 3.27Å; E93-R135 IonicContact OE1-NH1 2.77Å; E93-R135 PolarHBondContact OE1-NH1 2.81Å; E93-R135 IonicContact OE1-NH2 3.27Å; E93-R135 PolarHBondContact OE1-NH2 2.91Å
94	K	96.9	Very high	96.5	Very high	149 Å²	149	34 Å²	34	65%	0.648	16%	0.156	S	C	*	.	H	α-helix	trans	-60	-37.7	178.4	-177	178.8	179.1	-179.4	0	112	N92 F96 D97 N98	N92-K94 VanDerWaalsContact C-N 3.31Å; N92-K94 PolarHBondContact O-N 2.98Å; N92-K94 WeakPolarHBondContact OD1-CB 3.19Å; N92-K94 PolarHBondContact OD1-N 2.84Å; N92-K94 VanDerWaalsContact OD1-N 3.17Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.35Å; K94-D97 PolarHBondContact O-N 3.09Å; K94-N98 WeakPolarHBondContact O-CB 3.45Å; K94-N98 PolarHBondContact O-N 3.34Å; K94-N98 VanDerWaalsContact O-N 3.08Å; K94-N98 PolarHBondContact O-ND2 2.98Å
95	S	97.3	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-33	177.9	76.8	0	0	0	0	112.4	D89 N92 E93	D89-S95 PolarHBondContact N-OG 3.2Å; D89-S95 PolarHBondContact O-OG 2.87Å; N92-S95 WeakPolarHBondContact O-CB 3.45Å; N92-S95 PolarHBondContact O-N 2.67Å; N92-S95 VanDerWaalsContact O-N 3.12Å; N92-S95 PolarHBondContact O-OG 2.99Å; N92-S95 PolarHBondContact OD1-N 2.86Å; E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 3.11Å
96	F	98.4	Very high	95.8	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-71.3	-45.4	174.5	170.2	-100.6	0	0	0	111.6	Y88 E93 K94 N98 I99 V131 R135 L139	Y88-F96 HydrophobicContact CD1-CD2 4.16Å; Y88-F96 HydrophobicContact CD2-CB 3.82Å; Y88-F96 HydrophobicContact CD2-CD2 4.06Å; Y88-F96 HydrophobicContact CD2-CG 4.43Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.46Å; Y88-F96 HydrophobicContact CE2-CB 4.26Å; Y88-F96 AromaticContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CD2 3.85Å; Y88-F96 HydrophobicContact CE2-CG 4.46Å; Y88-F96 HydrophobicContact CG-CB 4.16Å; Y88-F96 HydrophobicContact CG-CD2 4.22Å; Y88-F96 AromaticContact CZ-CD2 3.77Å; E93-F96 WeakPolarHBondContact O-CB 3.4Å; E93-F96 PolarHBondContact O-N 3.03Å; K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.35Å; F96-N98 PolarHBondContact O-N 2.87Å; F96-I99 VanDerWaalsContact O-CB 3.24Å; F96-I99 WeakPolarHBondContact O-CB 3.48Å; F96-I99 WeakPolarHBondContact O-CG1 3.37Å; F96-I99 PolarHBondContact O-N 3.08Å; F96-V131 HydrophobicContact CB-CG1 4.29Å; F96-V131 HydrophobicContact CB-CG2 3.7Å; F96-V131 HydrophobicContact CD1-CG1 4.18Å; F96-V131 HydrophobicContact CD1-CG2 4.4Å; F96-V131 HydrophobicContact CD2-CG1 3.72Å; F96-V131 HydrophobicContact CE1-CG1 4.46Å; F96-V131 HydrophobicContact CE2-CG1 4.01Å; F96-V131 HydrophobicContact CG-CG1 3.79Å; F96-V131 HydrophobicContact CG-CG2 4.02Å; F96-V131 HydrophobicContact CZ-CG1 4.37Å; F96-R135 HydrophobicContact CZ-CB 4.09Å; F96-L139 HydrophobicContact CD2-CD2 4.19Å; F96-L139 HydrophobicContact CE2-CB 4.1Å; F96-L139 HydrophobicContact CE2-CD2 3.54Å; F96-L139 HydrophobicContact CE2-CG 4.41Å; F96-L139 HydrophobicContact CZ-CB 4.04Å; F96-L139 HydrophobicContact CZ-CD2 3.89Å; F96-L139 HydrophobicContact CZ-CG 4.45Å
97	D	96.9	Very high	95.6	Very high	70 Å²	70	41.6 Å²	41.6	37%	0.374	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-35.3	178.6	-71.5	-29.4	0	0	0	112.2	E93 K94 I99 R100	E93-D97 PolarHBondContact O-N 3.45Å; K94-D97 PolarHBondContact O-N 3.09Å; D97-I99 PolarHBondContact O-N 3.34Å; D97-R100 PolarHBondContact O-N 3.44Å; D97-R100 IonicContact OD1-NH1 3.39Å
98	N	95.7	Very high	95.2	Very high	30 Å²	30	48 Å²	48	16%	0.16	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.1	176.4	-80.8	-27.7	0	0	0	114.3	D16 K94 F96 R100 N101 W102	D16-N98 PolarHBondContact OD2-ND2 3.12Å; K94-N98 WeakPolarHBondContact O-CB 3.45Å; K94-N98 PolarHBondContact O-N 3.34Å; K94-N98 VanDerWaalsContact O-N 3.08Å; K94-N98 PolarHBondContact O-ND2 2.98Å; F96-N98 PolarHBondContact O-N 2.87Å; N98-R100 PolarHBondContact O-N 3.06Å; N98-N101 WeakPolarHBondContact O-CB 3.5Å; N98-N101 PolarHBondContact O-N 2.87Å; N98-N101 PolarHBondContact OD1-ND2 3.35Å; N98-W102 PolarHBondContact O-N 3.28Å
99	I	95.9	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-36.5	175.2	-66.9	-68.4	0	0	0	111.2	L86 Y88 F96 D97 N101 W102 I103 I118 L139	L86-I99 HydrophobicContact CB-CD1 3.93Å; L86-I99 HydrophobicContact CD2-CG2 4.19Å; Y88-I99 HydrophobicContact CD1-CD1 4.19Å; Y88-I99 HydrophobicContact CD1-CG1 4.01Å; Y88-I99 HydrophobicContact CG-CG1 4.33Å; F96-I99 VanDerWaalsContact O-CB 3.24Å; F96-I99 WeakPolarHBondContact O-CB 3.48Å; F96-I99 WeakPolarHBondContact O-CG1 3.37Å; F96-I99 PolarHBondContact O-N 3.08Å; D97-I99 PolarHBondContact O-N 3.34Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.95Å; I99-W102 WeakPolarHBondContact O-CB 3.36Å; I99-W102 PolarHBondContact O-N 3.38Å; I99-W102 VanDerWaalsContact O-N 3.12Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 HydrophobicContact CG2-CG1 4.26Å; I99-I103 WeakPolarHBondContact O-CG1 3.5Å; I99-I103 PolarHBondContact O-N 3.44Å; I99-I118 HydrophobicContact CG2-CD1 4.16Å; I99-I118 HydrophobicContact CG2-CG1 4.47Å; I99-L139 HydrophobicContact CB-CD2 3.99Å; I99-L139 HydrophobicContact CG2-CD2 3.69Å
100	R	95	Very high	94.3	Very high	88 Å²	88	52.4 Å²	52.4	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-38.4	176.8	-63	-175.7	-177.8	84.8	-0.6	112.5	D97 N98 I103 R104 L139 Y143	D97-R100 PolarHBondContact O-N 3.44Å; D97-R100 IonicContact OD1-NH1 3.39Å; N98-R100 PolarHBondContact O-N 3.06Å; R100-I103 PolarHBondContact O-N 3.46Å; R100-R104 WeakPolarHBondContact O-CG 3.4Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.14Å; R100-L139 HydrophobicContact CG-CD1 4.2Å; R100-Y143 HydrophobicContact CG-CE2 4.26Å
101	N	92.7	Very high	93.9	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-39.4	176	-63	-33	0	0	0	110.9	N98 I99 I103 R104 N105	N98-N101 WeakPolarHBondContact O-CB 3.5Å; N98-N101 PolarHBondContact O-N 2.87Å; N98-N101 PolarHBondContact OD1-ND2 3.35Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.95Å; N101-I103 VanDerWaalsContact C-N 3.35Å; N101-R104 PolarHBondContact O-N 3.26Å; N101-N105 VanDerWaalsContact O-CG 3.25Å; N101-N105 PolarHBondContact O-N 3.31Å; N101-N105 VanDerWaalsContact O-N 3.08Å; N101-N105 PolarHBondContact O-ND2 2.73Å; N101-N105 PolarHBondContact O-OD1 3.29Å
102	W	92.6	Very high	93.4	Very high	2 Å²	2	59 Å²	59	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-38.7	174.8	-68.7	116.1	0	0	0	112.5	I14 D16 R71 L86 N98 I99 N105 I106	I14-W102 HydrophobicContact CB-CE3 4.19Å; I14-W102 HydrophobicContact CB-CZ3 4.45Å; I14-W102 HydrophobicContact CD1-CB 3.94Å; I14-W102 HydrophobicContact CD1-CD2 4.44Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.45Å; I14-W102 HydrophobicContact CG1-CE3 4.45Å; D16-W102 PolarHBondContact OD1-NE1 3.18Å; R71-W102 HydrophobicContact CG-CH2 4.25Å; L86-W102 HydrophobicContact CD2-CB 3.83Å; N98-W102 PolarHBondContact O-N 3.28Å; I99-W102 WeakPolarHBondContact O-CB 3.36Å; I99-W102 PolarHBondContact O-N 3.38Å; I99-W102 VanDerWaalsContact O-N 3.12Å; W102-N105 PolarHBondContact O-N 2.83Å; W102-I106 WeakPolarHBondContact O-CG1 3.39Å; W102-I106 PolarHBondContact O-N 2.83Å; W102-I106 VanDerWaalsContact O-N 3.09Å
103	I	93.7	Very high	93	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-46.9	174.8	-68.2	169.7	0	0	0	110.9	L86 I99 R100 N101 N105 I106 E107 Y143 I145	L86-I103 HydrophobicContact CD2-CG1 3.56Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 HydrophobicContact CG2-CG1 4.26Å; I99-I103 WeakPolarHBondContact O-CG1 3.5Å; I99-I103 PolarHBondContact O-N 3.44Å; R100-I103 PolarHBondContact O-N 3.46Å; N101-I103 VanDerWaalsContact C-N 3.35Å; I103-N105 VanDerWaalsContact C-N 3.3Å; I103-N105 PolarHBondContact O-N 3.23Å; I103-I106 WeakPolarHBondContact O-CA 3.47Å; I103-I106 WeakPolarHBondContact O-CB 3.43Å; I103-I106 PolarHBondContact O-N 2.88Å; I103-E107 HydrophobicContact CG2-CG 4.49Å; I103-E107 WeakPolarHBondContact O-CG 3.33Å; I103-E107 PolarHBondContact O-N 3.49Å; I103-Y143 HydrophobicContact CD1-CD1 3.97Å; I103-Y143 HydrophobicContact CD1-CD2 3.58Å; I103-Y143 HydrophobicContact CD1-CE1 4.17Å; I103-Y143 HydrophobicContact CD1-CE2 3.82Å; I103-Y143 HydrophobicContact CD1-CG 3.67Å; I103-Y143 HydrophobicContact CG2-CD1 3.8Å; I103-Y143 HydrophobicContact CG2-CE1 3.83Å; I103-I145 HydrophobicContact CD1-CD1 3.94Å; I103-I145 HydrophobicContact CG1-CD1 4.18Å
104	R	92	Very high	92.9	Very high	137 Å²	137	55.1 Å²	55.1	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-56.4	-43.9	175.6	-70.6	174.6	-176.3	170.9	-0.3	112	R100 N101 I106 E107 E108	R100-R104 WeakPolarHBondContact O-CG 3.4Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.14Å; N101-R104 PolarHBondContact O-N 3.26Å; R104-I106 VanDerWaalsContact C-N 3.28Å; R104-I106 PolarHBondContact O-N 2.99Å; R104-E107 WeakPolarHBondContact O-CB 3.34Å; R104-E107 PolarHBondContact O-N 3.37Å; R104-E107 VanDerWaalsContact O-N 3.11Å; R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 3.11Å
105	N	89.1	Confident	92.9	Very high	37 Å²	37	50 Å²	50	20%	0.198	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-35.6	176.7	-65	-17.1	0	0	0	112.5	N101 W102 I103 H109	N101-N105 VanDerWaalsContact O-CG 3.25Å; N101-N105 PolarHBondContact O-N 3.31Å; N101-N105 VanDerWaalsContact O-N 3.08Å; N101-N105 PolarHBondContact O-ND2 2.73Å; N101-N105 PolarHBondContact O-OD1 3.29Å; W102-N105 PolarHBondContact O-N 2.83Å; I103-N105 VanDerWaalsContact C-N 3.3Å; I103-N105 PolarHBondContact O-N 3.23Å; N105-H109 WeakPolarHBondContact O-CB 3.49Å; N105-H109 PolarHBondContact O-CD2 2.94Å; N105-H109 PolarHBondContact O-N 3.32Å; N105-H109 VanDerWaalsContact O-N 3.15Å
106	I	91.4	Very high	92.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-45.9	173.7	-64.8	166.1	0	0	0	109.9	I14 Y78 I84 L86 W102 I103 R104 E108 H109 A110 V114 K116	I14-I106 HydrophobicContact CD1-CD1 3.78Å; I14-I106 HydrophobicContact CD1-CG1 3.86Å; Y78-I106 HydrophobicContact CD1-CG1 4.27Å; Y78-I106 HydrophobicContact CE1-CB 4.39Å; Y78-I106 HydrophobicContact CE1-CG1 3.69Å; I84-I106 HydrophobicContact CB-CD1 4.31Å; I84-I106 HydrophobicContact CD1-CD1 4.36Å; I84-I106 HydrophobicContact CD1-CG1 3.94Å; I84-I106 HydrophobicContact CD1-CG2 3.9Å; I84-I106 HydrophobicContact CG2-CD1 3.77Å; I84-I106 HydrophobicContact CG2-CG1 4.21Å; L86-I106 HydrophobicContact CD1-CD1 3.78Å; L86-I106 HydrophobicContact CD2-CD1 3.76Å; L86-I106 HydrophobicContact CG-CD1 3.9Å; W102-I106 WeakPolarHBondContact O-CG1 3.39Å; W102-I106 PolarHBondContact O-N 2.83Å; W102-I106 VanDerWaalsContact O-N 3.09Å; I103-I106 WeakPolarHBondContact O-CA 3.47Å; I103-I106 WeakPolarHBondContact O-CB 3.43Å; I103-I106 PolarHBondContact O-N 2.88Å; R104-I106 VanDerWaalsContact C-N 3.28Å; R104-I106 PolarHBondContact O-N 2.99Å; I106-E108 VanDerWaalsContact C-N 3.27Å; I106-E108 PolarHBondContact O-N 3.01Å; I106-H109 PolarHBondContact O-N 3.45Å; I106-A110 HydrophobicContact CG2-CB 3.72Å; I106-A110 WeakPolarHBondContact O-CA 3.47Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.47Å; I106-V114 HydrophobicContact CG2-CG1 3.76Å; I106-K116 HydrophobicContact CG2-CD 4.31Å
107	E	91.5	Very high	92.9	Very high	120 Å²	120	52.1 Å²	52.1	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-63.2	-33.5	-179.4	-68.4	170.4	170.3	0	0	112.5	I103 R104	I103-E107 HydrophobicContact CG2-CG 4.49Å; I103-E107 WeakPolarHBondContact O-CG 3.33Å; I103-E107 PolarHBondContact O-N 3.49Å; R104-E107 WeakPolarHBondContact O-CB 3.34Å; R104-E107 PolarHBondContact O-N 3.37Å; R104-E107 VanDerWaalsContact O-N 3.11Å
108	E	90.4	Very high	93	Very high	134 Å²	134	48.8 Å²	48.8	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-79.7	-30.3	179.2	-72.2	176.7	-168.1	0	0	114.2	R104 I106	R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 3.11Å; I106-E108 VanDerWaalsContact C-N 3.27Å; I106-E108 PolarHBondContact O-N 3.01Å
109	H	88.9	Confident	93.1	Very high	83 Å²	83	47.5 Å²	47.5	38%	0.384	24%	0.244	S	C	.	.	H	α-helix	trans	-124.8	-21.9	-166.4	-59.6	-38.9	0	0	0	115.5	Y78 N105 I106	Y78-H109 HydrophobicContact CD2-CB 4.3Å; Y78-H109 HydrophobicContact CG-CB 4.09Å; N105-H109 WeakPolarHBondContact O-CB 3.49Å; N105-H109 PolarHBondContact O-CD2 2.94Å; N105-H109 PolarHBondContact O-N 3.32Å; N105-H109 VanDerWaalsContact O-N 3.15Å; I106-H109 PolarHBondContact O-N 3.45Å
110	A	90.1	Very high	93.2	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	24%	0.244	C	C	.	.	S	Bend	trans	-89.1	167.5	178.5	0	0	0	0	0	111.6	Y78 I84 I106 V114	Y78-A110 HydrophobicContact CD1-CB 4.13Å; I84-A110 HydrophobicContact CD1-CB 4.02Å; I106-A110 HydrophobicContact CG2-CB 3.72Å; I106-A110 WeakPolarHBondContact O-CA 3.47Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.47Å; A110-V114 HydrophobicContact CB-CB 4.36Å; A110-V114 HydrophobicContact CB-CG1 3.85Å
111	S	89.1	Confident	93.4	Very high	60 Å²	60	43.4 Å²	43.4	42%	0.42	23%	0.229	S	C	.	.			trans	-68.2	144.2	169.5	-171	0	0	0	0	110.5	D113 V114	S111-D113 WeakPolarHBondContact CB-OD1 3.5Å; S111-D113 PolarHBondContact O-N 3.31Å; S111-D113 PolarHBondContact OG-OD1 2.85Å; S111-V114 WeakPolarHBondContact O-CB 3.35Å; S111-V114 VanDerWaalsContact O-CG1 3.28Å; S111-V114 WeakPolarHBondContact O-CG1 3.45Å; S111-V114 PolarHBondContact O-N 3.43Å
112	A	87.8	Confident	93.7	Very high	102 Å²	102	43.1 Å²	43.1	84%	0.843	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.5	175.9	0	0	0	0	0	112.9
113	D	89.9	Confident	93.9	Very high	55 Å²	55	44 Å²	44	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	10.3	178.4	77.1	-27	0	0	0	116.5	S111 R172 K176	S111-D113 WeakPolarHBondContact CB-OD1 3.5Å; S111-D113 PolarHBondContact O-N 3.31Å; S111-D113 PolarHBondContact OG-OD1 2.85Å; D113-R172 VanDerWaalsContact C-NH1 3.3Å; D113-R172 VanDerWaalsContact CB-CZ 3.41Å; D113-R172 VanDerWaalsContact CB-NH2 3.26Å; D113-R172 VanDerWaalsContact O-CZ 3.3Å; D113-R172 PolarHBondContact O-NH1 2.86Å; D113-K176 IonicContact OD2-NZ 3.75Å; D113-K176 PolarHBondContact OD2-NZ 3.09Å
114	V	95.3	Very high	94.1	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.036	24%	0.242	C	C	.	.			trans	-70.4	131	175.4	76.2	0	0	0	0	111.1	A81 I84 I106 A110 S111 K116	A81-V114 HydrophobicContact CB-CG2 4.42Å; A81-V114 WeakPolarHBondContact O-CG2 3.3Å; I84-V114 HydrophobicContact CB-CG2 4.49Å; I84-V114 HydrophobicContact CD1-CG1 4.27Å; I84-V114 HydrophobicContact CD1-CG2 3.74Å; I84-V114 HydrophobicContact CG1-CG2 3.64Å; I106-V114 HydrophobicContact CG2-CG1 3.76Å; A110-V114 HydrophobicContact CB-CB 4.36Å; A110-V114 HydrophobicContact CB-CG1 3.85Å; S111-V114 WeakPolarHBondContact O-CB 3.35Å; S111-V114 VanDerWaalsContact O-CG1 3.28Å; S111-V114 WeakPolarHBondContact O-CG1 3.45Å; S111-V114 PolarHBondContact O-N 3.43Å; V114-K116 HydrophobicContact CG1-CG 4.27Å
115	E	97.4	Very high	94.3	Very high	41 Å²	41	42.4 Å²	42.4	19%	0.192	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	145.9	170.6	-67.5	-53.7	134.5	0	0	110.6	M82 G83 I84 L165 D168 I169 R172	M82-E115 PolarHBondContact O-N 3.08Å; G83-E115 CarbonylContact C-O 3.35Å; G83-E115 VanDerWaalsContact CA-O 3.24Å; G83-E115 WeakPolarHBondContact CA-O 3.46Å; I84-E115 PolarHBondContact N-O 3.43Å; E115-L165 HydrophobicContact CB-CD1 3.58Å; E115-D168 HydrophobicContact CG-CB 4.11Å; E115-I169 HydrophobicContact CB-CG1 3.88Å; E115-I169 HydrophobicContact CG-CG1 3.82Å; E115-R172 WeakPolarHBondContact OE1-CD 3.22Å; E115-R172 IonicContact OE1-CZ 2.71Å; E115-R172 IonicContact OE1-NE 2.67Å; E115-R172 IonicContact OE1-NH1 2.61Å; E115-R172 PolarHBondContact OE1-NH1 3.29Å
116	K	97.1	Very high	94.6	Very high	51 Å²	51	45.2 Å²	45.2	22%	0.222	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.8	-172.4	-60.1	164.8	-163.1	165.1	0	110.2	I84 L86 I106 V114 I145	I84-K116 WeakPolarHBondContact O-CA 3.41Å; L86-K116 HydrophobicContact CD1-CB 4.42Å; I106-K116 HydrophobicContact CG2-CD 4.31Å; V114-K116 HydrophobicContact CG1-CG 4.27Å; K116-I145 HydrophobicContact CB-CD1 4.18Å; K116-I145 HydrophobicContact CB-CG1 4.17Å; K116-I145 HydrophobicContact CB-CG2 3.77Å; K116-I145 HydrophobicContact CD-CD1 4.04Å; K116-I145 HydrophobicContact CD-CG1 4.37Å; K116-I145 WeakPolarHBondContact O-CG2 3.26Å
117	M	98.1	Very high	94.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.8	171.2	-179.2	171.8	-77.8	0	0	110.6	I84 M85 L86 L119 K146 L148 T164 L165	I84-M117 PolarHBondContact O-N 3.38Å; M85-M117 CarbonylContact C-O 3.54Å; M85-M117 WeakPolarHBondContact CA-O 3.37Å; M85-M117 HydrophobicContact CE-SD 3.94Å; L86-M117 WeakPolarHBondContact CD1-O 3.24Å; L86-M117 PolarHBondContact N-O 3.3Å; M117-L119 HydrophobicContact CG-CD2 3.96Å; M117-L119 HydrophobicContact SD-CD2 3.85Å; M117-K146 HydrophobicContact CE-CB 3.9Å; M117-K146 HydrophobicContact CE-CD 4.15Å; M117-K146 HydrophobicContact CG-CB 4.44Å; M117-L148 HydrophobicContact SD-CD1 4.26Å; M117-T164 HydrophobicContact CE-CG2 3.39Å; M117-L165 HydrophobicContact CB-CD1 4.49Å
118	I	98.6	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.4	172.1	-59.5	172.1	0	0	0	108.9	L86 Y88 I99 L139 A140 I145 K146 F147 L148	L86-I118 HydrophobicContact CB-CG1 4.42Å; L86-I118 HydrophobicContact CD1-CG1 4.4Å; L86-I118 CarbonylContact O-C 3.6Å; L86-I118 WeakPolarHBondContact O-CA 3.43Å; Y88-I118 HydrophobicContact CD1-CG2 3.9Å; Y88-I118 HydrophobicContact CE1-CG2 3.7Å; I99-I118 HydrophobicContact CG2-CD1 4.16Å; I99-I118 HydrophobicContact CG2-CG1 4.47Å; I118-L139 HydrophobicContact CD1-CD2 4.34Å; I118-L139 HydrophobicContact CD1-CG 4.47Å; I118-A140 HydrophobicContact CD1-CB 4.19Å; I118-I145 HydrophobicContact CD1-CB 4.39Å; I118-I145 HydrophobicContact CD1-CG2 4.32Å; I118-I145 HydrophobicContact CG1-CG2 3.91Å; I118-K146 PolarHBondContact N-O 3.26Å; I118-F147 HydrophobicContact CB-CD2 4.09Å; I118-F147 HydrophobicContact CG2-CD2 3.87Å; I118-F147 HydrophobicContact CG2-CE2 4.34Å; I118-F147 WeakPolarHBondContact O-CA 3.49Å; I118-L148 PolarHBondContact O-N 2.98Å; I118-L148 VanDerWaalsContact O-N 3.08Å
119	L	98.8	Very high	95.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.5	174.1	-58.1	-174.9	0	0	0	110.7	L24 M85 L86 V87 Y88 M117 N121 L148 T150	L24-L119 HydrophobicContact CD1-CD1 3.91Å; M85-L119 HydrophobicContact CB-CD1 4.4Å; M85-L119 HydrophobicContact CE-CD1 3.64Å; M85-L119 HydrophobicContact CE-CD2 4.06Å; M85-L119 HydrophobicContact CE-CG 4.11Å; M85-L119 HydrophobicContact SD-CD1 4.31Å; L86-L119 PolarHBondContact O-N 3.06Å; V87-L119 WeakPolarHBondContact CA-O 2.94Å; V87-L119 HydrophobicContact CG1-CB 4.45Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.25Å; Y88-L119 WeakPolarHBondContact CD1-O 3.38Å; Y88-L119 PolarHBondContact N-O 3.47Å; M117-L119 HydrophobicContact CG-CD2 3.96Å; M117-L119 HydrophobicContact SD-CD2 3.85Å; L119-N121 PolarHBondContact O-N 2.84Å; L119-L148 CarbonylContact C-O 3.53Å; L119-L148 VanDerWaalsContact CA-O 3.31Å; L119-L148 WeakPolarHBondContact CA-O 3.4Å; L119-L148 HydrophobicContact CD2-CB 4.13Å; L119-T150 HydrophobicContact CB-CG2 4.44Å; L119-T150 HydrophobicContact CD1-CG2 4.33Å; L119-T150 HydrophobicContact CD2-CG2 3.91Å; L119-T150 HydrophobicContact CG-CG2 4.47Å
120	G	98.7	Very high	95.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	93.3	166.9	0	0	0	0	0	110.2	Y88 L148 E149 T150	Y88-G120 VanDerWaalsContact CZ-CA 3.49Å; G120-L148 PolarHBondContact N-O 2.99Å; G120-E149 CarbonylContact O-C 3.59Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.16Å; G120-T150 PolarHBondContact O-N 3.37Å
121	N	98.6	Very high	96.4	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	163.2	-173.4	-167.2	35.1	0	0	0	112.9	V19 L24 V87 Y88 I90 L119 T150 A152	V19-N121 PolarHBondContact O-ND2 3.44Å; L24-N121 HydrophobicContact CD1-CB 4.32Å; V87-N121 HydrophobicContact CG1-CB 3.81Å; Y88-N121 WeakPolarHBondContact O-CB 3.44Å; Y88-N121 PolarHBondContact O-N 3.23Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 3.36Å; L119-N121 PolarHBondContact O-N 2.84Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.23Å; N121-T150 WeakPolarHBondContact CA-OG1 3.39Å; N121-T150 PolarHBondContact OD1-O 3.17Å; N121-T150 PolarHBondContact OD1-OG1 3.27Å; N121-T150 VanDerWaalsContact OD1-OG1 3.12Å; N121-A152 PolarHBondContact OD1-N 3.03Å
122	K	98	Very high	96.8	Very high	51 Å²	51	49.9 Å²	49.9	22%	0.222	26%	0.263	C	S	.	.			trans	69	33.8	-177.7	-45.6	-170.5	-165.3	168.5	0	113.7	G18 D89 I90 D124 M125 T150	G18-K122 WeakPolarHBondContact O-CE 3.39Å; G18-K122 PolarHBondContact O-NZ 3.17Å; D89-K122 WeakPolarHBondContact OD2-CD 3.47Å; D89-K122 WeakPolarHBondContact OD2-CE 3.17Å; D89-K122 IonicContact OD2-NZ 2.81Å; D89-K122 PolarHBondContact OD2-NZ 2.83Å; I90-K122 WeakPolarHBondContact CD1-O 3.28Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; K122-D124 WeakPolarHBondContact CA-OD1 3.47Å; K122-D124 PolarHBondContact O-N 3.17Å; K122-D124 VanDerWaalsContact O-N 3.08Å; K122-M125 HydrophobicContact CB-CG 4.42Å; K122-M125 HydrophobicContact CB-SD 4.2Å; K122-M125 HydrophobicContact CD-SD 4.11Å; K122-M125 WeakPolarHBondContact O-CB 3.42Å; K122-M125 PolarHBondContact O-N 3.45Å; K122-T150 PolarHBondContact N-O 2.92Å
123	C	98	Very high	97.3	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.128	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.6	178.4	70.2	0	0	0	0	114.4	I90 M125 E149 T150	I90-C123 HydrophobicContact CD1-CB 4.49Å; C123-M125 PolarHBondContact O-N 2.92Å; C123-E149 HydrophobicContact CB-CB 3.96Å; C123-T150 PolarHBondContact N-O 3.22Å; C123-T150 VanDerWaalsContact N-O 3.08Å; C123-T150 PolarHBondContact SG-O 3.26Å; C123-T150 VanDerWaalsContact SG-O 3.33Å
124	D	97.4	Very high	97.7	Very high	47 Å²	47	52.4 Å²	52.4	25%	0.251	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.7	168.8	60.6	-75.5	0	0	0	113.6	K122 N126 S151 K153	K122-D124 WeakPolarHBondContact CA-OD1 3.47Å; K122-D124 PolarHBondContact O-N 3.17Å; K122-D124 VanDerWaalsContact O-N 3.08Å; D124-N126 VanDerWaalsContact C-N 3.35Å; D124-N126 PolarHBondContact O-N 3.31Å; D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 2.87Å; D124-S151 PolarHBondContact OD1-OG 3.19Å; D124-K153 VanDerWaalsContact OD2-CD 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.34Å
125	M	96.3	Very high	97.8	Very high	59 Å²	59	56.1 Å²	56.1	29%	0.291	27%	0.268	S	S	.	.			trans	-96.5	47.7	-177.7	-60.3	-177.2	58.6	0	0	112.2	T91 K122 C123 D127 K128 R129	T91-M125 HydrophobicContact CG2-CB 3.7Å; T91-M125 HydrophobicContact CG2-CE 4.31Å; T91-M125 HydrophobicContact CG2-SD 4.5Å; K122-M125 HydrophobicContact CB-CG 4.42Å; K122-M125 HydrophobicContact CB-SD 4.2Å; K122-M125 HydrophobicContact CD-SD 4.11Å; K122-M125 WeakPolarHBondContact O-CB 3.42Å; K122-M125 PolarHBondContact O-N 3.45Å; C123-M125 PolarHBondContact O-N 2.92Å; M125-D127 PolarHBondContact O-N 2.88Å; M125-K128 HydrophobicContact CE-CD 3.74Å; M125-K128 PolarHBondContact O-N 3.38Å; M125-R129 PolarHBondContact O-N 3.32Å
126	N	94.6	Very high	97.9	Very high	95 Å²	95	54.1 Å²	54.1	51%	0.508	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.6	-32.6	-172.8	-161.6	52.7	0	0	0	113.4	D124 K128 R129	D124-N126 VanDerWaalsContact C-N 3.35Å; D124-N126 PolarHBondContact O-N 3.31Å; N126-K128 PolarHBondContact O-N 2.95Å; N126-R129 WeakPolarHBondContact O-CB 3.21Å; N126-R129 PolarHBondContact O-N 3.04Å; N126-R129 VanDerWaalsContact O-N 3.12Å; N126-R129 PolarHBondContact OD1-NE 3.43Å
127	D	97.1	Very high	97.9	Very high	168 Å²	168	55.1 Å²	55.1	90%	0.898	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.8	177.8	-55.3	-34.9	0	0	0	113.5	M125	M125-D127 PolarHBondContact O-N 2.88Å
128	K	97.4	Very high	98	Very high	139 Å²	139	61.7 Å²	61.7	60%	0.604	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-110.5	12.4	178.4	-59.6	-172.1	-174.8	-179.2	0	112.3	T91 M125 N126 Q130	T91-K128 WeakPolarHBondContact CA-O 3.43Å; T91-K128 WeakPolarHBondContact CB-O 3.5Å; T91-K128 HydrophobicContact CG2-CB 3.88Å; M125-K128 HydrophobicContact CE-CD 3.74Å; M125-K128 PolarHBondContact O-N 3.38Å; N126-K128 PolarHBondContact O-N 2.95Å; K128-Q130 PolarHBondContact O-N 2.97Å
129	R	98.4	Very high	97.9	Very high	65 Å²	65	61.9 Å²	61.9	25%	0.245	29%	0.293	C	S	.	.			trans	-62	126.7	-177.3	-179.8	179.3	-73.2	-87.6	10.4	110.7	I90 M125 N126 V131 E149	I90-R129 HydrophobicContact CD1-CB 4.25Å; I90-R129 HydrophobicContact CD1-CG 4.21Å; I90-R129 VanDerWaalsContact CD1-CZ 3.46Å; M125-R129 PolarHBondContact O-N 3.32Å; N126-R129 WeakPolarHBondContact O-CB 3.21Å; N126-R129 PolarHBondContact O-N 3.04Å; N126-R129 VanDerWaalsContact O-N 3.12Å; N126-R129 PolarHBondContact OD1-NE 3.43Å; R129-V131 WeakPolarHBondContact CD-O 3.38Å; R129-V131 WeakPolarHBondContact CG-O 3.45Å; R129-V131 PolarHBondContact NH1-O 2.88Å; R129-E149 IonicContact CZ-OE1 3.66Å; R129-E149 IonicContact CZ-OE2 2.69Å; R129-E149 IonicContact NH1-OE1 3.63Å; R129-E149 PolarHBondContact NH1-OE1 3.35Å; R129-E149 IonicContact NH1-OE2 2.68Å; R129-E149 IonicContact NH2-OE1 2.79Å; R129-E149 PolarHBondContact NH2-OE1 2.91Å; R129-E149 IonicContact NH2-OE2 3.48Å; R129-E149 PolarHBondContact NH2-OE2 2.99Å
130	Q	98.5	Very high	97.9	Very high	105 Å²	105	62 Å²	62	49%	0.491	29%	0.294	S	S	.	.			trans	-109.3	-24.7	171.9	-62.7	-176.5	1.8	0	0	111.6	I90 T91 E93 K128 R135	I90-Q130 PolarHBondContact O-N 2.78Å; T91-Q130 PolarHBondContact O-NE2 3.05Å; T91-Q130 VanDerWaalsContact O-NE2 3.14Å; T91-Q130 PolarHBondContact O-OE1 2.82Å; E93-Q130 HydrophobicContact CB-CB 4.34Å; K128-Q130 PolarHBondContact O-N 2.97Å; Q130-R135 PolarHBondContact O-NH1 2.99Å
131	V	98.5	Very high	97.8	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-114.8	117.6	179.8	-174	0	0	0	0	108.9	Y88 I90 F96 R129 R135	Y88-V131 HydrophobicContact CE2-CB 4.07Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.45Å; I90-V131 PolarHBondContact O-N 2.92Å; F96-V131 HydrophobicContact CB-CG1 4.29Å; F96-V131 HydrophobicContact CB-CG2 3.7Å; F96-V131 HydrophobicContact CD1-CG1 4.18Å; F96-V131 HydrophobicContact CD1-CG2 4.4Å; F96-V131 HydrophobicContact CD2-CG1 3.72Å; F96-V131 HydrophobicContact CE1-CG1 4.46Å; F96-V131 HydrophobicContact CE2-CG1 4.01Å; F96-V131 HydrophobicContact CG-CG1 3.79Å; F96-V131 HydrophobicContact CG-CG2 4.02Å; F96-V131 HydrophobicContact CZ-CG1 4.37Å; R129-V131 WeakPolarHBondContact CD-O 3.38Å; R129-V131 WeakPolarHBondContact CG-O 3.45Å; R129-V131 PolarHBondContact NH1-O 2.88Å; V131-R135 HydrophobicContact CG1-CB 4.04Å
132	S	98.4	Very high	97.8	Very high	38 Å²	38	73.1 Å²	73.1	27%	0.266	35%	0.352	S	S	.	.			trans	-71.1	156.8	176.3	89.6	0	0	0	0	111.4	E134 R135 G136	S132-E134 WeakPolarHBondContact CB-OE2 3.34Å; S132-E134 PolarHBondContact O-N 3.31Å; S132-E134 PolarHBondContact OG-OE2 3.41Å; S132-R135 WeakPolarHBondContact O-CB 3.38Å; S132-R135 PolarHBondContact O-N 3.39Å; S132-R135 PolarHBondContact OG-N 2.88Å; S132-G136 PolarHBondContact O-N 3.32Å
133	K	98.2	Very high	97.7	Very high	89 Å²	89	74.6 Å²	74.6	39%	0.387	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-38.6	178.4	-172.2	171.4	-177.6	-91.5	0	111	R135 G136 E137 F147 E149	K133-R135 VanDerWaalsContact C-N 3.31Å; K133-R135 PolarHBondContact O-N 2.85Å; K133-G136 WeakPolarHBondContact O-CA 3.4Å; K133-G136 PolarHBondContact O-N 3.22Å; K133-G136 VanDerWaalsContact O-N 3.09Å; K133-E137 IonicContact NZ-OE1 3.71Å; K133-E137 PolarHBondContact NZ-OE1 3.23Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 3.15Å; K133-F147 HydrophobicContact CG-CE1 4.04Å; K133-E149 WeakPolarHBondContact CA-OE1 3.33Å; K133-E149 HydrophobicContact CG-CG 4.2Å
134	E	98.4	Very high	97.6	Very high	121 Å²	121	77.2 Å²	77.2	57%	0.565	39%	0.387	S	S	*	.	H	α-helix	trans	-64.2	-34.9	179.4	-54.3	71.3	-152.7	0	0	111.6	S132 K138	S132-E134 WeakPolarHBondContact CB-OE2 3.34Å; S132-E134 PolarHBondContact O-N 3.31Å; S132-E134 PolarHBondContact OG-OE2 3.41Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 2.87Å
135	R	98.3	Very high	97.6	Very high	84 Å²	84	75.9 Å²	75.9	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-41.8	173	-74.4	177.6	63.6	178.9	5.6	111.4	E93 F96 Q130 V131 S132 K133 L139	E93-R135 IonicContact OE1-CZ 3.64Å; E93-R135 VanDerWaalsContact OE1-CZ 3.27Å; E93-R135 IonicContact OE1-NH1 2.77Å; E93-R135 PolarHBondContact OE1-NH1 2.81Å; E93-R135 IonicContact OE1-NH2 3.27Å; E93-R135 PolarHBondContact OE1-NH2 2.91Å; F96-R135 HydrophobicContact CZ-CB 4.09Å; Q130-R135 PolarHBondContact O-NH1 2.99Å; V131-R135 HydrophobicContact CG1-CB 4.04Å; S132-R135 WeakPolarHBondContact O-CB 3.38Å; S132-R135 PolarHBondContact O-N 3.39Å; S132-R135 PolarHBondContact OG-N 2.88Å; K133-R135 VanDerWaalsContact C-N 3.31Å; K133-R135 PolarHBondContact O-N 2.85Å; R135-L139 WeakPolarHBondContact O-CB 3.3Å; R135-L139 PolarHBondContact O-N 3.15Å
136	G	98.2	Very high	97.6	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-49.7	174.7	0	0	0	0	0	112.2	S132 K133 L139 A140	S132-G136 PolarHBondContact O-N 3.32Å; K133-G136 WeakPolarHBondContact O-CA 3.4Å; K133-G136 PolarHBondContact O-N 3.22Å; K133-G136 VanDerWaalsContact O-N 3.09Å; G136-L139 PolarHBondContact O-N 3.29Å; G136-A140 WeakPolarHBondContact O-CB 3.44Å; G136-A140 PolarHBondContact O-N 3.2Å
137	E	98.3	Very high	97.8	Very high	71 Å²	71	74.3 Å²	74.3	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-45.8	177.1	-71.8	171.3	174.1	0	0	111.8	K133 L139 A140 I141 F147	K133-E137 IonicContact NZ-OE1 3.71Å; K133-E137 PolarHBondContact NZ-OE1 3.23Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 3.15Å; E137-L139 PolarHBondContact O-N 3.47Å; E137-A140 WeakPolarHBondContact O-CB 3.44Å; E137-A140 PolarHBondContact O-N 2.97Å; E137-I141 VanDerWaalsContact O-CG1 3.32Å; E137-I141 WeakPolarHBondContact O-CG1 3.24Å; E137-I141 PolarHBondContact O-N 2.92Å; E137-F147 HydrophobicContact CB-CD1 4.37Å; E137-F147 HydrophobicContact CG-CD1 3.49Å; E137-F147 VanDerWaalsContact CG-CD1 3.49Å; E137-F147 HydrophobicContact CG-CE1 3.74Å
138	K	98.5	Very high	97.8	Very high	140 Å²	140	68.3 Å²	68.3	61%	0.609	34%	0.335	S	S	*	.	H	α-helix	trans	-60.3	-47.4	177.6	-176.9	175.1	-179.8	177.5	0	111.8	E134 A140 I141 D142	E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 2.87Å; K138-A140 PolarHBondContact O-N 2.9Å; K138-I141 PolarHBondContact O-N 3.03Å; K138-D142 VanDerWaalsContact O-CG 3.23Å; K138-D142 PolarHBondContact O-N 3.41Å
139	L	97.9	Very high	97.9	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-42.2	176.3	-176	71.6	0	0	0	111	F96 I99 R100 I118 R135 G136 E137 D142 Y143	F96-L139 HydrophobicContact CD2-CD2 4.19Å; F96-L139 HydrophobicContact CE2-CB 4.1Å; F96-L139 HydrophobicContact CE2-CD2 3.54Å; F96-L139 HydrophobicContact CE2-CG 4.41Å; F96-L139 HydrophobicContact CZ-CB 4.04Å; F96-L139 HydrophobicContact CZ-CD2 3.89Å; F96-L139 HydrophobicContact CZ-CG 4.45Å; I99-L139 HydrophobicContact CB-CD2 3.99Å; I99-L139 HydrophobicContact CG2-CD2 3.69Å; R100-L139 HydrophobicContact CG-CD1 4.2Å; I118-L139 HydrophobicContact CD1-CD2 4.34Å; I118-L139 HydrophobicContact CD1-CG 4.47Å; R135-L139 WeakPolarHBondContact O-CB 3.3Å; R135-L139 PolarHBondContact O-N 3.15Å; G136-L139 PolarHBondContact O-N 3.29Å; E137-L139 PolarHBondContact O-N 3.47Å; L139-D142 PolarHBondContact O-N 3.41Å; L139-Y143 HydrophobicContact CD1-CD2 4Å; L139-Y143 HydrophobicContact CD1-CE2 3.68Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.42Å; L139-Y143 WeakPolarHBondContact O-CD2 3.2Å; L139-Y143 PolarHBondContact O-N 2.74Å
140	A	97.7	Very high	97.9	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-41.4	179.9	0	0	0	0	0	112.1	I118 G136 E137 K138 Y143 G144 I145 F147	I118-A140 HydrophobicContact CD1-CB 4.19Å; G136-A140 WeakPolarHBondContact O-CB 3.44Å; G136-A140 PolarHBondContact O-N 3.2Å; E137-A140 WeakPolarHBondContact O-CB 3.44Å; E137-A140 PolarHBondContact O-N 2.97Å; K138-A140 PolarHBondContact O-N 2.9Å; A140-Y143 PolarHBondContact O-N 2.69Å; A140-G144 PolarHBondContact O-N 3.41Å; A140-I145 CarbonylContact C-O 3.5Å; A140-I145 VanDerWaalsContact CB-O 3.26Å; A140-I145 WeakPolarHBondContact CB-O 3.29Å; A140-I145 PolarHBondContact O-N 3Å; A140-F147 HydrophobicContact CB-CB 3.5Å; A140-F147 VanDerWaalsContact CB-CB 3.5Å; A140-F147 HydrophobicContact CB-CG 4.37Å
141	I	98.1	Very high	97.9	Very high	132 Å²	132	54.5 Å²	54.5	68%	0.677	28%	0.275	S	S	*	.	H	α-helix	trans	-60.8	-47.1	173.7	-68.8	164	0	0	0	110.9	E137 K138 Y143 G144	E137-I141 VanDerWaalsContact O-CG1 3.32Å; E137-I141 WeakPolarHBondContact O-CG1 3.24Å; E137-I141 PolarHBondContact O-N 2.92Å; K138-I141 PolarHBondContact O-N 3.03Å; I141-Y143 PolarHBondContact O-N 2.81Å; I141-Y143 VanDerWaalsContact O-N 3.15Å; I141-G144 PolarHBondContact O-N 3.28Å
142	D	97.3	Very high	97.8	Very high	105 Å²	105	54.6 Å²	54.6	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-57.9	-31.3	-178.2	-69	-18.6	0	0	0	112.3	K138 L139	K138-D142 VanDerWaalsContact O-CG 3.23Å; K138-D142 PolarHBondContact O-N 3.41Å; L139-D142 PolarHBondContact O-N 3.41Å
143	Y	96.1	Very high	97.6	Very high	83 Å²	83	58.5 Å²	58.5	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-101.6	-2	178.1	-73.4	-79.1	0	0	0	114.4	R100 I103 L139 A140 I141 I145	R100-Y143 HydrophobicContact CG-CE2 4.26Å; I103-Y143 HydrophobicContact CD1-CD1 3.97Å; I103-Y143 HydrophobicContact CD1-CD2 3.58Å; I103-Y143 HydrophobicContact CD1-CE1 4.17Å; I103-Y143 HydrophobicContact CD1-CE2 3.82Å; I103-Y143 HydrophobicContact CD1-CG 3.67Å; I103-Y143 HydrophobicContact CG2-CD1 3.8Å; I103-Y143 HydrophobicContact CG2-CE1 3.83Å; L139-Y143 HydrophobicContact CD1-CD2 4Å; L139-Y143 HydrophobicContact CD1-CE2 3.68Å; L139-Y143 HydrophobicContact CG-CD2 4.3Å; L139-Y143 HydrophobicContact CG-CE2 4.42Å; L139-Y143 WeakPolarHBondContact O-CD2 3.2Å; L139-Y143 PolarHBondContact O-N 2.74Å; A140-Y143 PolarHBondContact O-N 2.69Å; I141-Y143 PolarHBondContact O-N 2.81Å; I141-Y143 VanDerWaalsContact O-N 3.15Å; Y143-I145 VanDerWaalsContact C-N 3.3Å; Y143-I145 PolarHBondContact O-N 2.96Å
144	G	96.1	Very high	97.5	Very high	74 Å²	74	57.5 Å²	57.5	76%	0.763	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	34.1	-174.5	0	0	0	0	0	113.7	A140 I141	A140-G144 PolarHBondContact O-N 3.41Å; I141-G144 PolarHBondContact O-N 3.28Å
145	I	96.8	Very high	97.4	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.097	28%	0.283	C	S	.	.			trans	-109.2	149.1	-178.5	-58.1	175.2	0	0	0	109.2	I103 K116 I118 A140 Y143	I103-I145 HydrophobicContact CD1-CD1 3.94Å; I103-I145 HydrophobicContact CG1-CD1 4.18Å; K116-I145 HydrophobicContact CB-CD1 4.18Å; K116-I145 HydrophobicContact CB-CG1 4.17Å; K116-I145 HydrophobicContact CB-CG2 3.77Å; K116-I145 HydrophobicContact CD-CD1 4.04Å; K116-I145 HydrophobicContact CD-CG1 4.37Å; K116-I145 WeakPolarHBondContact O-CG2 3.26Å; I118-I145 HydrophobicContact CD1-CB 4.39Å; I118-I145 HydrophobicContact CD1-CG2 4.32Å; I118-I145 HydrophobicContact CG1-CG2 3.91Å; A140-I145 CarbonylContact C-O 3.5Å; A140-I145 VanDerWaalsContact CB-O 3.26Å; A140-I145 WeakPolarHBondContact CB-O 3.29Å; A140-I145 PolarHBondContact O-N 3Å; Y143-I145 VanDerWaalsContact C-N 3.3Å; Y143-I145 PolarHBondContact O-N 2.96Å
146	K	96.4	Very high	97.4	Very high	91 Å²	91	53.6 Å²	53.6	40%	0.396	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	152.1	173.2	-70.5	-171.2	-177.3	176.3	0	112	M117 I118 T164 D168	M117-K146 HydrophobicContact CE-CB 3.9Å; M117-K146 HydrophobicContact CE-CD 4.15Å; M117-K146 HydrophobicContact CG-CB 4.44Å; I118-K146 PolarHBondContact N-O 3.26Å; K146-T164 HydrophobicContact CD-CG2 3.96Å; K146-D168 VanDerWaalsContact CD-OD2 3.29Å; K146-D168 WeakPolarHBondContact CD-OD2 3.43Å; K146-D168 WeakPolarHBondContact CE-OD2 3.28Å; K146-D168 IonicContact NZ-OD1 3.52Å; K146-D168 PolarHBondContact NZ-OD1 3.16Å; K146-D168 IonicContact NZ-OD2 3.41Å; K146-D168 PolarHBondContact NZ-OD2 3.37Å
147	F	98.5	Very high	97.4	Very high	29 Å²	29	56.9 Å²	56.9	13%	0.127	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.5	179.9	171.8	-104.5	0	0	0	112.6	Y88 I118 K133 E137 A140 E149	Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 VanDerWaalsContact OH-CE2 3.28Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.05Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.29Å; I118-F147 HydrophobicContact CB-CD2 4.09Å; I118-F147 HydrophobicContact CG2-CD2 3.87Å; I118-F147 HydrophobicContact CG2-CE2 4.34Å; I118-F147 WeakPolarHBondContact O-CA 3.49Å; K133-F147 HydrophobicContact CG-CE1 4.04Å; E137-F147 HydrophobicContact CB-CD1 4.37Å; E137-F147 HydrophobicContact CG-CD1 3.49Å; E137-F147 VanDerWaalsContact CG-CD1 3.49Å; E137-F147 HydrophobicContact CG-CE1 3.74Å; A140-F147 HydrophobicContact CB-CB 3.5Å; A140-F147 VanDerWaalsContact CB-CB 3.5Å; A140-F147 HydrophobicContact CB-CG 4.37Å; F147-E149 HydrophobicContact CE1-CG 3.99Å; F147-E149 HydrophobicContact CZ-CG 3.57Å
148	L	98.5	Very high	97.4	Very high	43 Å²	43	53.6 Å²	53.6	23%	0.225	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.1	167.6	-71.1	174.3	0	0	0	110.2	M117 I118 L119 G120 E160	M117-L148 HydrophobicContact SD-CD1 4.26Å; I118-L148 PolarHBondContact O-N 2.98Å; I118-L148 VanDerWaalsContact O-N 3.08Å; L119-L148 CarbonylContact C-O 3.53Å; L119-L148 VanDerWaalsContact CA-O 3.31Å; L119-L148 WeakPolarHBondContact CA-O 3.4Å; L119-L148 HydrophobicContact CD2-CB 4.13Å; G120-L148 PolarHBondContact N-O 2.99Å; L148-E160 HydrophobicContact CD1-CG 4.47Å
149	E	98.6	Very high	97.3	Very high	18 Å²	18	51.5 Å²	51.5	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.7	161.3	-71.1	-161.2	161.5	0	0	110.2	G120 C123 R129 K133 F147 N157	G120-E149 CarbonylContact O-C 3.59Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.16Å; C123-E149 HydrophobicContact CB-CB 3.96Å; R129-E149 IonicContact CZ-OE1 3.66Å; R129-E149 IonicContact CZ-OE2 2.69Å; R129-E149 IonicContact NH1-OE1 3.63Å; R129-E149 PolarHBondContact NH1-OE1 3.35Å; R129-E149 IonicContact NH1-OE2 2.68Å; R129-E149 IonicContact NH2-OE1 2.79Å; R129-E149 PolarHBondContact NH2-OE1 2.91Å; R129-E149 IonicContact NH2-OE2 3.48Å; R129-E149 PolarHBondContact NH2-OE2 2.99Å; K133-E149 WeakPolarHBondContact CA-OE1 3.33Å; K133-E149 HydrophobicContact CG-CG 4.2Å; F147-E149 HydrophobicContact CE1-CG 3.99Å; F147-E149 HydrophobicContact CZ-CG 3.57Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.21Å; E149-N157 PolarHBondContact O-ND2 2.5Å
150	T	98.6	Very high	97.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.8	-176.5	62.4	0	0	0	0	111.9	L119 G120 N121 K122 C123 I156 N157	L119-T150 HydrophobicContact CB-CG2 4.44Å; L119-T150 HydrophobicContact CD1-CG2 4.33Å; L119-T150 HydrophobicContact CD2-CG2 3.91Å; L119-T150 HydrophobicContact CG-CG2 4.47Å; G120-T150 PolarHBondContact O-N 3.37Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.23Å; N121-T150 WeakPolarHBondContact CA-OG1 3.39Å; N121-T150 PolarHBondContact OD1-O 3.17Å; N121-T150 PolarHBondContact OD1-OG1 3.27Å; N121-T150 VanDerWaalsContact OD1-OG1 3.12Å; K122-T150 PolarHBondContact N-O 2.92Å; C123-T150 PolarHBondContact N-O 3.22Å; C123-T150 VanDerWaalsContact N-O 3.08Å; C123-T150 PolarHBondContact SG-O 3.26Å; C123-T150 VanDerWaalsContact SG-O 3.33Å; T150-I156 CarbonylContact C-O 3.57Å; T150-I156 VanDerWaalsContact CA-O 3.25Å; T150-I156 WeakPolarHBondContact CA-O 3.27Å; T150-N157 HydrophobicContact CG2-CB 4.09Å
151	S	98.1	Very high	97.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-131.2	109.5	164.3	175.7	0	0	0	0	109.5	D124 K153 S154 S155 I156 V158	D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 2.87Å; D124-S151 PolarHBondContact OD1-OG 3.19Å; S151-K153 PolarHBondContact O-N 2.59Å; S151-K153 PolarHBondContact OG-N 2.79Å; S151-S154 PolarHBondContact OG-N 3.49Å; S151-S155 CarbonylContact O-C 3.57Å; S151-S155 VanDerWaalsContact O-CA 3.24Å; S151-S155 WeakPolarHBondContact O-CA 3.17Å; S151-S155 PolarHBondContact O-N 3.24Å; S151-I156 PolarHBondContact N-O 3.15Å; S151-I156 PolarHBondContact O-N 3.46Å; S151-V158 WeakPolarHBondContact O-CG2 3.37Å
152	A	96.5	Very high	97.3	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.025	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.9	169	0	0	0	0	0	112.3	C23 L24 R27 F33 N121	C23-A152 HydrophobicContact CB-CB 3.64Å; L24-A152 HydrophobicContact CD2-CB 3.94Å; L24-A152 HydrophobicContact CG-CB 4.16Å; R27-A152 PolarHBondContact NE-O 2.9Å; R27-A152 PolarHBondContact NH2-O 3.46Å; F33-A152 HydrophobicContact CD2-CB 4.25Å; F33-A152 WeakPolarHBondContact CD2-O 3.44Å; F33-A152 HydrophobicContact CE2-CB 4.21Å; N121-A152 PolarHBondContact OD1-N 3.03Å
153	K	95.3	Very high	97.3	Very high	120 Å²	120	44.9 Å²	44.9	52%	0.522	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-50.6	-179.5	-175	-173.6	178.5	-172.2	0	111.4	R27 F33 D124 S151	R27-K153 PolarHBondContact NH2-O 3.36Å; F33-K153 HydrophobicContact CD1-CG 4.27Å; F33-K153 HydrophobicContact CD2-CB 4.41Å; F33-K153 HydrophobicContact CE1-CB 4.12Å; F33-K153 HydrophobicContact CE1-CG 3.85Å; F33-K153 HydrophobicContact CE2-CB 3.97Å; F33-K153 HydrophobicContact CZ-CB 3.82Å; F33-K153 HydrophobicContact CZ-CG 4.03Å; D124-K153 VanDerWaalsContact OD2-CD 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.34Å; S151-K153 PolarHBondContact O-N 2.59Å; S151-K153 PolarHBondContact OG-N 2.79Å
154	S	95.6	Very high	97.4	Very high	67 Å²	67	41.7 Å²	41.7	47%	0.469	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	6.5	-175.8	-55.6	0	0	0	0	113.6	S151 I156	S151-S154 PolarHBondContact OG-N 3.49Å; S154-I156 PolarHBondContact O-N 2.9Å
155	S	96	Very high	97.5	Very high	54 Å²	54	38.1 Å²	38.1	38%	0.378	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.9	-176	-151.8	0	0	0	0	114.6	R27 S151 N157	R27-S155 WeakPolarHBondContact CD-OG 3.43Å; S151-S155 CarbonylContact O-C 3.57Å; S151-S155 VanDerWaalsContact O-CA 3.24Å; S151-S155 WeakPolarHBondContact O-CA 3.17Å; S151-S155 PolarHBondContact O-N 3.24Å; S155-N157 PolarHBondContact O-N 2.91Å
156	I	98.2	Very high	97.5	Very high	70 Å²	70	37.2 Å²	37.2	36%	0.359	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-79.7	124.1	-179.2	-60.4	169.7	0	0	0	109	T150 S151 S154 V158	T150-I156 CarbonylContact C-O 3.57Å; T150-I156 VanDerWaalsContact CA-O 3.25Å; T150-I156 WeakPolarHBondContact CA-O 3.27Å; S151-I156 PolarHBondContact N-O 3.15Å; S151-I156 PolarHBondContact O-N 3.46Å; S154-I156 PolarHBondContact O-N 2.9Å; I156-V158 PolarHBondContact O-N 2.91Å
157	N	98.1	Very high	97.5	Very high	69 Å²	69	36.6 Å²	36.6	37%	0.369	19%	0.186	S	C	.	.	S	Bend	trans	54.2	14	176.1	-62.7	-28.5	0	0	0	115.8	E149 T150 S155 G161	E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.21Å; E149-N157 PolarHBondContact O-ND2 2.5Å; T150-N157 HydrophobicContact CG2-CB 4.09Å; S155-N157 PolarHBondContact O-N 2.91Å; N157-G161 PolarHBondContact O-N 3.48Å
158	V	97.9	Very high	97.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-57.3	-178.5	-179.4	0	0	0	0	109.7	L24 R27 F28 S151 I156 E160 G161 F162	L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.15Å; L24-V158 HydrophobicContact CD2-CG2 3.78Å; R27-V158 HydrophobicContact CB-CG1 4.14Å; R27-V158 HydrophobicContact CG-CB 4.11Å; R27-V158 HydrophobicContact CG-CG1 3.87Å; R27-V158 HydrophobicContact CG-CG2 3.97Å; F28-V158 HydrophobicContact CB-CG1 4.04Å; S151-V158 WeakPolarHBondContact O-CG2 3.37Å; I156-V158 PolarHBondContact O-N 2.91Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.24Å; V158-G161 PolarHBondContact O-N 3.39Å; V158-F162 HydrophobicContact CG1-CD2 4.35Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.26Å; V158-F162 WeakPolarHBondContact O-CD2 3.39Å; V158-F162 PolarHBondContact O-N 3.02Å
159	E	96.4	Very high	97.3	Very high	95 Å²	95	34.7 Å²	34.7	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-44	177.3	-178.3	155.1	-126.8	0	0	111.9	F28 R48 G161 F162 L163	F28-E159 HydrophobicContact CE2-CG 4.39Å; R48-E159 IonicContact CZ-OE1 3.82Å; R48-E159 IonicContact NH1-OE1 2.74Å; R48-E159 PolarHBondContact NH1-OE1 3.01Å; R48-E159 IonicContact NH2-OE1 2.81Å; R48-E159 PolarHBondContact NH2-OE1 2.83Å; E159-G161 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 2.89Å; E159-F162 PolarHBondContact O-N 2.88Å; E159-L163 HydrophobicContact CG-CD1 3.65Å; E159-L163 HydrophobicContact CG-CG 4.03Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 WeakPolarHBondContact O-CG 3.24Å; E159-L163 PolarHBondContact O-N 3.2Å
160	E	97.6	Very high	97.2	Very high	76 Å²	76	34.4 Å²	34.4	36%	0.355	18%	0.176	S	C	.	.	H	α-helix	trans	-62.6	-35.5	-179.7	-175.2	55.8	-163.1	0	0	112.9	L148 V158 T164 R167	L148-E160 HydrophobicContact CD1-CG 4.47Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.24Å; E160-T164 WeakPolarHBondContact O-CB 3.48Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.43Å; E160-T164 PolarHBondContact OE1-OG1 2.89Å; E160-R167 IonicContact OE1-CZ 3.64Å; E160-R167 IonicContact OE1-NH1 3.73Å; E160-R167 PolarHBondContact OE1-NH1 2.89Å; E160-R167 IonicContact OE1-NH2 2.78Å; E160-R167 PolarHBondContact OE1-NH2 2.57Å; E160-R167 IonicContact OE2-CZ 3.56Å; E160-R167 IonicContact OE2-NH1 2.79Å; E160-R167 IonicContact OE2-NH2 3.36Å; E160-R167 PolarHBondContact OE2-NH2 2.93Å
161	G	98.1	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-49.6	174.8	0	0	0	0	0	112.7	M85 N157 V158 E159 L165	M85-G161 VanDerWaalsContact CE-C 3.44Å; M85-G161 WeakPolarHBondContact CE-O 3.39Å; N157-G161 PolarHBondContact O-N 3.48Å; V158-G161 PolarHBondContact O-N 3.39Å; E159-G161 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 2.89Å; G161-L165 PolarHBondContact O-N 3.36Å
162	F	98	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-42.2	178.7	-76.2	-80.5	0	0	0	112.2	L11 L13 F28 I61 M85 V158 E159 A166	L11-F162 HydrophobicContact CD1-CD1 4.02Å; L13-F162 HydrophobicContact CD1-CZ 4.31Å; L13-F162 HydrophobicContact CD2-CE1 4.01Å; L13-F162 HydrophobicContact CD2-CZ 4.08Å; F28-F162 HydrophobicContact CB-CD2 3.64Å; F28-F162 HydrophobicContact CB-CE2 3.5Å; F28-F162 VanDerWaalsContact CB-CE2 3.5Å; F28-F162 HydrophobicContact CB-CG 4.46Å; F28-F162 HydrophobicContact CB-CZ 4.19Å; F28-F162 HydrophobicContact CD1-CB 4.41Å; F28-F162 HydrophobicContact CD1-CD1 4.13Å; F28-F162 AromaticContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CD2 3.95Å; F28-F162 HydrophobicContact CD1-CE1 4.39Å; F28-F162 HydrophobicContact CD1-CE2 4.24Å; F28-F162 AromaticContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CG 3.91Å; F28-F162 HydrophobicContact CD1-CZ 4.45Å; F28-F162 HydrophobicContact CD2-CB 3.78Å; F28-F162 AromaticContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CD2 3.41Å; F28-F162 VanDerWaalsContact CD2-CD2 3.41Å; F28-F162 HydrophobicContact CD2-CE2 4.19Å; F28-F162 AromaticContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CD2-CG 3.74Å; F28-F162 HydrophobicContact CE1-CB 4.09Å; F28-F162 HydrophobicContact CE1-CD1 4.22Å; F28-F162 HydrophobicContact CE1-CD2 4.47Å; F28-F162 HydrophobicContact CE1-CG 4.02Å; F28-F162 HydrophobicContact CE2-CB 3.41Å; F28-F162 VanDerWaalsContact CE2-CB 3.41Å; F28-F162 HydrophobicContact CE2-CD2 4Å; F28-F162 AromaticContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CG-CB 4.26Å; F28-F162 HydrophobicContact CG-CD1 4.38Å; F28-F162 AromaticContact CG-CD2 3.37Å; F28-F162 HydrophobicContact CG-CD2 3.37Å; F28-F162 AromaticContact CG-CE2 3.73Å; F28-F162 HydrophobicContact CG-CE2 3.73Å; F28-F162 AromaticContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CG 3.76Å; F28-F162 HydrophobicContact CG-CZ 4.36Å; F28-F162 HydrophobicContact CZ-CB 3.59Å; F28-F162 HydrophobicContact CZ-CD2 4.5Å; F28-F162 AromaticContact CZ-CG 4Å; F28-F162 HydrophobicContact CZ-CG 4Å; I61-F162 HydrophobicContact CD1-CD1 3.97Å; I61-F162 HydrophobicContact CD1-CE1 3.83Å; I61-F162 HydrophobicContact CG2-CE1 4.04Å; M85-F162 HydrophobicContact CE-CD1 4.44Å; M85-F162 HydrophobicContact CE-CG 4.45Å; M85-F162 HydrophobicContact SD-CD1 3.64Å; M85-F162 HydrophobicContact SD-CE1 3.54Å; M85-F162 VanDerWaalsContact SD-CE1 3.54Å; M85-F162 HydrophobicContact SD-CG 4.2Å; M85-F162 HydrophobicContact SD-CZ 4.04Å; V158-F162 HydrophobicContact CG1-CD2 4.35Å; V158-F162 HydrophobicContact CG1-CE2 4.16Å; V158-F162 VanDerWaalsContact O-CD2 3.26Å; V158-F162 WeakPolarHBondContact O-CD2 3.39Å; V158-F162 PolarHBondContact O-N 3.02Å; E159-F162 PolarHBondContact O-N 2.88Å; F162-A166 WeakPolarHBondContact O-CB 3.47Å; F162-A166 PolarHBondContact O-N 2.99Å
163	L	97.4	Very high	96.4	Very high	29 Å²	29	44 Å²	44	15%	0.152	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-41	178.9	-66.4	-176.6	0	0	0	111.8	V50 E159 L165 A166 R167	V50-L163 HydrophobicContact CB-CD2 4Å; V50-L163 HydrophobicContact CG1-CD2 4.08Å; V50-L163 HydrophobicContact CG2-CD2 3.98Å; E159-L163 HydrophobicContact CG-CD1 3.65Å; E159-L163 HydrophobicContact CG-CG 4.03Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 WeakPolarHBondContact O-CG 3.24Å; E159-L163 PolarHBondContact O-N 3.2Å; L163-L165 PolarHBondContact O-N 3.49Å; L163-A166 PolarHBondContact O-N 2.68Å; L163-R167 WeakPolarHBondContact O-CG 3.41Å; L163-R167 PolarHBondContact O-N 3.33Å
164	T	97.9	Very high	96.2	Very high	15 Å²	15	40.9 Å²	40.9	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-47	176.9	-62.9	0	0	0	0	111.1	M117 K146 E160 A166 R167 D168	M117-T164 HydrophobicContact CE-CG2 3.39Å; K146-T164 HydrophobicContact CD-CG2 3.96Å; E160-T164 WeakPolarHBondContact O-CB 3.48Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.43Å; E160-T164 PolarHBondContact OE1-OG1 2.89Å; T164-A166 VanDerWaalsContact C-N 3.32Å; T164-A166 PolarHBondContact O-N 3.19Å; T164-R167 WeakPolarHBondContact O-CB 3.49Å; T164-R167 PolarHBondContact O-N 3.24Å; T164-R167 PolarHBondContact OG1-NH1 3.49Å; T164-D168 PolarHBondContact O-N 3.18Å
165	L	98	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-39.3	176.8	-177.1	60.8	0	0	0	111.7	L11 M85 E115 M117 G161 L163 D168 I169	L11-L165 HydrophobicContact CD2-CD2 4Å; L11-L165 HydrophobicContact CD2-CG 4.29Å; M85-L165 HydrophobicContact CG-CD2 3.39Å; M85-L165 HydrophobicContact SD-CD2 4.19Å; E115-L165 HydrophobicContact CB-CD1 3.58Å; M117-L165 HydrophobicContact CB-CD1 4.49Å; G161-L165 PolarHBondContact O-N 3.36Å; L163-L165 PolarHBondContact O-N 3.49Å; L165-D168 PolarHBondContact O-N 3.17Å; L165-I169 HydrophobicContact CG-CD1 4.28Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.42Å; L165-I169 PolarHBondContact O-N 2.93Å; L165-I169 VanDerWaalsContact O-N 3.08Å
166	A	97.5	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-39.7	175	0	0	0	0	0	112.6	F9 L52 L59 F162 L163 T164 D168 I169 M170	F9-A166 HydrophobicContact CD2-CB 4.25Å; F9-A166 HydrophobicContact CE2-CB 4.49Å; F9-A166 WeakPolarHBondContact CE2-O 3.27Å; L52-A166 HydrophobicContact CD1-CB 3.88Å; L59-A166 HydrophobicContact CD2-CB 4.14Å; F162-A166 WeakPolarHBondContact O-CB 3.47Å; F162-A166 PolarHBondContact O-N 2.99Å; L163-A166 PolarHBondContact O-N 2.68Å; T164-A166 VanDerWaalsContact C-N 3.32Å; T164-A166 PolarHBondContact O-N 3.19Å; A166-D168 VanDerWaalsContact C-N 3.32Å; A166-D168 PolarHBondContact O-N 3.3Å; A166-I169 PolarHBondContact O-N 2.95Å; A166-M170 WeakPolarHBondContact O-CB 3.38Å; A166-M170 PolarHBondContact O-N 3.07Å
167	R	96.9	Very high	94.6	Very high	77 Å²	77	51.5 Å²	51.5	29%	0.291	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-40.8	174.7	-69.1	179.3	-145.1	122	2.8	111.1	L52 E160 L163 T164 M170 S171	L52-R167 HydrophobicContact CD1-CB 4.33Å; L52-R167 HydrophobicContact CD1-CG 3.44Å; L52-R167 VanDerWaalsContact CD1-CG 3.44Å; L52-R167 HydrophobicContact CD2-CG 3.89Å; L52-R167 HydrophobicContact CG-CG 3.83Å; E160-R167 IonicContact OE1-CZ 3.64Å; E160-R167 IonicContact OE1-NH1 3.73Å; E160-R167 PolarHBondContact OE1-NH1 2.89Å; E160-R167 IonicContact OE1-NH2 2.78Å; E160-R167 PolarHBondContact OE1-NH2 2.57Å; E160-R167 IonicContact OE2-CZ 3.56Å; E160-R167 IonicContact OE2-NH1 2.79Å; E160-R167 IonicContact OE2-NH2 3.36Å; E160-R167 PolarHBondContact OE2-NH2 2.93Å; L163-R167 WeakPolarHBondContact O-CG 3.41Å; L163-R167 PolarHBondContact O-N 3.33Å; T164-R167 WeakPolarHBondContact O-CB 3.49Å; T164-R167 PolarHBondContact O-N 3.24Å; T164-R167 PolarHBondContact OG1-NH1 3.49Å; R167-M170 PolarHBondContact O-N 3.45Å; R167-S171 WeakPolarHBondContact O-CB 3.27Å; R167-S171 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-OG 2.86Å
168	D	96.5	Very high	93.6	Very high	28 Å²	28	54.4 Å²	54.4	15%	0.15	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-44.8	179.5	-68.3	-27.5	0	0	0	111.8	E115 K146 T164 L165 A166 M170 S171 R172	E115-D168 HydrophobicContact CG-CB 4.11Å; K146-D168 VanDerWaalsContact CD-OD2 3.29Å; K146-D168 WeakPolarHBondContact CD-OD2 3.43Å; K146-D168 WeakPolarHBondContact CE-OD2 3.28Å; K146-D168 IonicContact NZ-OD1 3.52Å; K146-D168 PolarHBondContact NZ-OD1 3.16Å; K146-D168 IonicContact NZ-OD2 3.41Å; K146-D168 PolarHBondContact NZ-OD2 3.37Å; T164-D168 PolarHBondContact O-N 3.18Å; L165-D168 PolarHBondContact O-N 3.17Å; A166-D168 VanDerWaalsContact C-N 3.32Å; A166-D168 PolarHBondContact O-N 3.3Å; D168-M170 VanDerWaalsContact C-N 3.33Å; D168-M170 PolarHBondContact O-N 3.01Å; D168-S171 PolarHBondContact O-N 2.8Å; D168-R172 WeakPolarHBondContact O-CB 3.4Å; D168-R172 PolarHBondContact O-N 2.93Å
169	I	96.9	Very high	92.4	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-47.5	174.8	-65.6	165.7	0	0	0	110.2	F9 L11 M82 E115 L165 A166 R172 L173	F9-I169 HydrophobicContact CB-CD1 4.47Å; F9-I169 HydrophobicContact CD1-CG2 3.79Å; F9-I169 HydrophobicContact CD2-CB 4.12Å; F9-I169 HydrophobicContact CD2-CD1 4.34Å; F9-I169 HydrophobicContact CD2-CG2 3.86Å; F9-I169 HydrophobicContact CE1-CG2 3.81Å; F9-I169 HydrophobicContact CE2-CB 4.05Å; F9-I169 HydrophobicContact CE2-CG2 3.85Å; F9-I169 HydrophobicContact CG-CG2 3.86Å; F9-I169 HydrophobicContact CZ-CB 4.44Å; F9-I169 HydrophobicContact CZ-CG2 3.84Å; L11-I169 HydrophobicContact CD2-CD1 3.44Å; L11-I169 VanDerWaalsContact CD2-CD1 3.44Å; M82-I169 HydrophobicContact CB-CD1 4.09Å; M82-I169 HydrophobicContact CB-CG1 4.46Å; M82-I169 HydrophobicContact CB-CG2 4.06Å; M82-I169 HydrophobicContact CE-CG2 3.67Å; E115-I169 HydrophobicContact CB-CG1 3.88Å; E115-I169 HydrophobicContact CG-CG1 3.82Å; L165-I169 HydrophobicContact CG-CD1 4.28Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.42Å; L165-I169 PolarHBondContact O-N 2.93Å; L165-I169 VanDerWaalsContact O-N 3.08Å; A166-I169 PolarHBondContact O-N 2.95Å; I169-R172 PolarHBondContact O-N 2.83Å; I169-L173 HydrophobicContact CG2-CD1 4.15Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 2.81Å
170	M	95	Very high	90.5	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.059	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-45.1	179.2	-176.4	165.8	165.4	0	0	111.9	Y7 F9 L52 D53 K55 I57 A166 R167 D168 R172 L173 N174	Y7-M170 HydrophobicContact CE2-CE 4.35Å; F9-M170 HydrophobicContact CE2-CB 4.08Å; F9-M170 HydrophobicContact CZ-CB 3.93Å; L52-M170 HydrophobicContact CD2-SD 3.51Å; L52-M170 VanDerWaalsContact CD2-SD 3.51Å; D53-M170 HydrophobicContact CB-CE 4.25Å; K55-M170 HydrophobicContact CB-CE 4.16Å; K55-M170 HydrophobicContact CG-CE 3.62Å; I57-M170 HydrophobicContact CD1-SD 3.89Å; A166-M170 WeakPolarHBondContact O-CB 3.38Å; A166-M170 PolarHBondContact O-N 3.07Å; R167-M170 PolarHBondContact O-N 3.45Å; D168-M170 VanDerWaalsContact C-N 3.33Å; D168-M170 PolarHBondContact O-N 3.01Å; M170-R172 VanDerWaalsContact C-N 3.29Å; M170-R172 PolarHBondContact O-N 3.49Å; M170-L173 PolarHBondContact O-N 3.45Å; M170-N174 VanDerWaalsContact O-CG 3.25Å; M170-N174 PolarHBondContact O-N 3.1Å; M170-N174 PolarHBondContact O-ND2 3Å
171	S	94.1	Very high	87.8	Confident	68 Å²	68	58 Å²	58	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-41.1	177.4	-63.2	0	0	0	0	111.7	R167 D168 N174 R175	R167-S171 WeakPolarHBondContact O-CB 3.27Å; R167-S171 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-OG 2.86Å; D168-S171 PolarHBondContact O-N 2.8Å; S171-N174 PolarHBondContact O-N 2.78Å; S171-R175 PolarHBondContact O-N 2.84Å
172	R	92.5	Very high	85.4	Confident	84 Å²	84	64.2 Å²	64.2	32%	0.317	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-42.8	176.9	-178.2	162.2	-168.1	164.7	7.9	113	D113 E115 D168 I169 M170 N174 R175 K176	D113-R172 VanDerWaalsContact C-NH1 3.3Å; D113-R172 VanDerWaalsContact CB-CZ 3.41Å; D113-R172 VanDerWaalsContact CB-NH2 3.26Å; D113-R172 VanDerWaalsContact O-CZ 3.3Å; D113-R172 PolarHBondContact O-NH1 2.86Å; E115-R172 WeakPolarHBondContact OE1-CD 3.22Å; E115-R172 IonicContact OE1-CZ 2.71Å; E115-R172 IonicContact OE1-NE 2.67Å; E115-R172 IonicContact OE1-NH1 2.61Å; E115-R172 PolarHBondContact OE1-NH1 3.29Å; D168-R172 WeakPolarHBondContact O-CB 3.4Å; D168-R172 PolarHBondContact O-N 2.93Å; I169-R172 PolarHBondContact O-N 2.83Å; M170-R172 VanDerWaalsContact C-N 3.29Å; M170-R172 PolarHBondContact O-N 3.49Å; R172-N174 VanDerWaalsContact C-N 3.31Å; R172-N174 PolarHBondContact O-N 2.8Å; R172-R175 PolarHBondContact O-N 3Å; R172-K176 PolarHBondContact O-N 3.29Å
173	L	91.1	Very high	82.7	Confident	51 Å²	51	69.1 Å²	69.1	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-44.1	175.5	-71.7	172	0	0	0	111.1	Y7 F9 M82 I169 M170 R175 K176 M177	Y7-L173 HydrophobicContact CD1-CD1 4.41Å; F9-L173 HydrophobicContact CD1-CD1 4.33Å; F9-L173 HydrophobicContact CE1-CD1 3.4Å; F9-L173 VanDerWaalsContact CE1-CD1 3.4Å; F9-L173 HydrophobicContact CZ-CD1 3.9Å; M82-L173 HydrophobicContact CE-CD1 3.76Å; M82-L173 HydrophobicContact CE-CD2 4.24Å; M82-L173 HydrophobicContact CE-CG 4.37Å; I169-L173 HydrophobicContact CG2-CD1 4.15Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 2.81Å; M170-L173 PolarHBondContact O-N 3.45Å; L173-R175 VanDerWaalsContact C-N 3.34Å; L173-R175 PolarHBondContact O-N 2.99Å; L173-K176 PolarHBondContact O-N 2.81Å; L173-M177 WeakPolarHBondContact O-CG 3.33Å; L173-M177 PolarHBondContact O-N 2.66Å
174	N	89.8	Confident	79.9	Confident	56 Å²	56	71.6 Å²	71.6	30%	0.299	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-40.9	177.3	-68.9	-17.7	0	0	0	111.7	M170 S171 R172 M177 N178	M170-N174 VanDerWaalsContact O-CG 3.25Å; M170-N174 PolarHBondContact O-N 3.1Å; M170-N174 PolarHBondContact O-ND2 3Å; S171-N174 PolarHBondContact O-N 2.78Å; R172-N174 VanDerWaalsContact C-N 3.31Å; R172-N174 PolarHBondContact O-N 2.8Å; N174-M177 PolarHBondContact O-N 2.79Å; N174-N178 VanDerWaalsContact O-CG 3.27Å; N174-N178 PolarHBondContact O-N 2.89Å
175	R	89.8	Confident	76.8	Confident	173 Å²	173	74.6 Å²	74.6	65%	0.653	46%	0.458	S	S	*	.	H	α-helix	trans	-61.2	-46.7	174.3	-172.7	-179.5	-61.2	175.3	1.7	111.8	S171 R172 L173 M177 N178 D179	S171-R175 PolarHBondContact O-N 2.84Å; R172-R175 PolarHBondContact O-N 3Å; L173-R175 VanDerWaalsContact C-N 3.34Å; L173-R175 PolarHBondContact O-N 2.99Å; R175-M177 VanDerWaalsContact C-N 3.26Å; R175-M177 PolarHBondContact O-N 2.98Å; R175-N178 PolarHBondContact O-N 3.16Å; R175-N178 VanDerWaalsContact O-N 3.11Å; R175-D179 WeakPolarHBondContact CG-OD2 3.47Å; R175-D179 WeakPolarHBondContact O-CB 3.24Å; R175-D179 PolarHBondContact O-N 3.48Å
176	K	85.6	Confident	74	Confident	108 Å²	108	78.8 Å²	78.8	47%	0.47	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-33.8	176.8	-75.8	-172.7	171.2	-168.3	0	113.1	D113 R172 L173	D113-K176 IonicContact OD2-NZ 3.75Å; D113-K176 PolarHBondContact OD2-NZ 3.09Å; R172-K176 PolarHBondContact O-N 3.29Å; L173-K176 PolarHBondContact O-N 2.81Å
177	M	81.3	Confident	70.8	Confident	133 Å²	133	82.1 Å²	82.1	66%	0.655	54%	0.535	S	S	*	.	H	α-helix	trans	-71.2	-36.8	175.1	-70.6	-179.9	70.3	0	0	112.1	L173 N174 R175	L173-M177 WeakPolarHBondContact O-CG 3.33Å; L173-M177 PolarHBondContact O-N 2.66Å; N174-M177 PolarHBondContact O-N 2.79Å; R175-M177 VanDerWaalsContact C-N 3.26Å; R175-M177 PolarHBondContact O-N 2.98Å
178	N	76.8	Confident	67.9	Low	129 Å²	129	86.8 Å²	86.8	69%	0.69	56%	0.56	S	S	*	*	H	α-helix	trans	-78.2	-35.3	-178.8	-68.8	-11.2	0	0	0	113.1	N174 R175 G180	N174-N178 VanDerWaalsContact O-CG 3.27Å; N174-N178 PolarHBondContact O-N 2.89Å; R175-N178 PolarHBondContact O-N 3.16Å; R175-N178 VanDerWaalsContact O-N 3.11Å; N178-G180 PolarHBondContact O-N 3.31Å
179	D	73.2	Confident	65.1	Low	131 Å²	131	91.8 Å²	91.8	70%	0.701	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-5.4	176.4	-66.8	-18.3	0	0	0	112.4	R175	R175-D179 WeakPolarHBondContact CG-OD2 3.47Å; R175-D179 WeakPolarHBondContact O-CB 3.24Å; R175-D179 PolarHBondContact O-N 3.48Å
180	G	56.2	Low	62.3	Low	59 Å²	59	99.9 Å²	99.9	61%	0.608	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	28.5	178.3	0	0	0	0	0	116.2	N178	N178-G180 PolarHBondContact O-N 3.31Å
181	G	41.5	Very low	59.9	Low	59 Å²	59	107 Å²	107	61%	0.608	66%	0.663	S	S	*	*			trans	-65.9	156.3	173.5	0	0	0	0	0	114
182	P	46.9	Very low	57.1	Low	130 Å²	130	109 Å²	109	84%	0.844	68%	0.677	S	S	*	*			trans	-76.4	123.3	-131.6	31.6	-34.8	0	0	0	114.7	G184	P182-G184 PolarHBondContact O-N 3.18Å
183	A	42.5	Very low	54.7	Low	105 Å²	105	113.6 Å²	113.6	87%	0.868	70%	0.702	S	S	*	*			trans	-75.3	110.9	149.1	0	0	0	0	0	107.7
184	G	37.7	Very low	52.1	Low	80 Å²	80	117.2 Å²	117.2	83%	0.825	73%	0.729	S	S	*	*			trans	-63.5	151.7	178.4	0	0	0	0	0	113.5	P182	P182-G184 PolarHBondContact O-N 3.18Å
185	G	32.9	Very low	49.5	Very low	79 Å²	79	122.7 Å²	122.7	81%	0.814	76%	0.758	S	S	*	*			trans	147.5	98.6	169.2	0	0	0	0	0	112.2
186	G	38.7	Very low	46.9	Very low	88 Å²	88	119.3 Å²	119.3	91%	0.907	76%	0.76	S	S	*	*			trans	-62.8	150.3	-176.3	0	0	0	0	0	114.9
187	G	31.1	Very low	44.7	Very low	69 Å²	69	123.9 Å²	123.9	71%	0.711	78%	0.78	S	S	*	*			trans	177.1	93.4	169.2	0	0	0	0	0	110.4	V189	G187-V189 PolarHBondContact O-N 3.04Å
188	Q	36.2	Very low	42.5	Very low	175 Å²	175	126.7 Å²	126.7	82%	0.818	79%	0.789	S	S	*	*			trans	-53.8	109.6	166.1	-85.7	-180	-13.6	0	0	109.4	K190	Q188-K190 PolarHBondContact O-N 3.37Å; Q188-K190 VanDerWaalsContact O-N 3.14Å
189	V	37.5	Very low	40.6	Very low	133 Å²	133	125.3 Å²	125.3	81%	0.806	79%	0.789	S	S	*	*			trans	-81.7	91.7	164.1	-176.3	0	0	0	0	107.2	G187 I191	G187-V189 PolarHBondContact O-N 3.04Å; V189-I191 PolarHBondContact O-N 3.14Å
190	K	38.3	Very low	38.8	Very low	175 Å²	175	125 Å²	125	76%	0.761	79%	0.791	S	S	*	*			trans	-64	119.9	163.4	-76.6	-178.2	177.5	178.2	0	107.9	Q188 S192	Q188-K190 PolarHBondContact O-N 3.37Å; Q188-K190 VanDerWaalsContact O-N 3.14Å; K190-S192 PolarHBondContact O-N 3.23Å
191	I	43.6	Very low	37.9	Very low	161 Å²	161	131.6 Å²	131.6	83%	0.826	80%	0.804	S	S	*	*			trans	-75.1	105.5	171.3	-59.4	172	0	0	0	106.9	V189	V189-I191 PolarHBondContact O-N 3.14Å
192	S	36.9	Very low	37.6	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78	133.6	164.9	53.2	0	0	0	0	109.7	K190	K190-S192 PolarHBondContact O-N 3.23Å
193	E	41.4	Very low	36.8	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-52.5	150	178.9	-68.1	171.4	139.8	0	0	113.7	L195	E193-L195 PolarHBondContact O-N 3.27Å
194	P	36.4	Very low	36.5	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.3	125.9	175.5	27.6	-28.7	0	0	0	111.7	S196	P194-S196 PolarHBondContact O-N 3.45Å
195	L	35.8	Very low	36.4	Very low	171 Å²	171	142.8 Å²	142.8	90%	0.895	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-55.2	117.1	171.5	-84.1	148.7	0	0	0	112.1	E193 K197	E193-L195 PolarHBondContact O-N 3.27Å; L195-K197 PolarHBondContact O-N 3.23Å
196	S	34.9	Very low	36.8	Very low	101 Å²	101	150.9 Å²	150.9	71%	0.706	83%	0.83	S	S	*	*			trans	-60.6	110.2	165.2	176.7	0	0	0	0	110.4	P194 K198	P194-S196 PolarHBondContact O-N 3.45Å; S196-K198 PolarHBondContact O-N 3.49Å
197	K	38.8	Very low	36.7	Very low	204 Å²	204	154.1 Å²	154.1	89%	0.887	83%	0.827	S	S	*	*			trans	-88.1	99.7	161.4	-78.9	-173.9	178.3	179.9	0	108.8	L195 S199	L195-K197 PolarHBondContact O-N 3.23Å; K197-S199 PolarHBondContact O-N 3.33Å
198	K	34.8	Very low	37	Very low	193 Å²	193	158.5 Å²	158.5	84%	0.839	83%	0.833	S	S	*	*			trans	-63.6	114.8	161.8	-72.8	180	176.3	178.3	0	108.5	S196	S196-K198 PolarHBondContact O-N 3.49Å
199	S	36.4	Very low	37	Very low	99 Å²	99	157.6 Å²	157.6	69%	0.692	83%	0.833	S	S	*	*			trans	-101.2	114.8	162.2	-173	0	0	0	0	108.5	K197 F201	K197-S199 PolarHBondContact O-N 3.33Å; S199-F201 PolarHBondContact O-N 3.46Å
200	V	36.8	Very low	37	Very low	124 Å²	124	159.1 Å²	159.1	75%	0.752	84%	0.835	S	S	*	*			trans	-74.9	113.2	176.7	177.6	0	0	0	0	108
201	F	35.7	Very low	36.9	Very low	198 Å²	198	158.1 Å²	158.1	87%	0.868	84%	0.84	S	S	*	*			trans	-102.5	106.4	159.3	-90.6	-84.2	0	0	0	108.1	S199	S199-F201 PolarHBondContact O-N 3.46Å
202	R	35.9	Very low	36.5	Very low	233 Å²	233	157.9 Å²	157.9	88%	0.879	84%	0.841	S	S	*	*			trans	-84.2	118.7	172.9	-143.1	178.6	-173	-173.3	0.9	107.3
203	C	29.7	Very low	36.5	Very low	108 Å²	108	161.2 Å²	161.2	73%	0.73	85%	0.845	S	S	*	*			trans	-70.7	134.4	167.7	-173	0	0	0	0	109.3
204	S	37.3	Very low	36.1	Very low	114 Å²	114	159.8 Å²	159.8	80%	0.797	85%	0.846	S	S	*	*			trans	-152.2	109.7	154.8	33.7	0	0	0	0	108.5
205	L	35.2	Very low	36	Very low	154 Å²	154	162.4 Å²	162.4	81%	0.806	85%	0.847	S	S	*	*			trans	-62.6	137.5	156.4	-78.3	100.6	0	0	0	109.3
206	L	41.1	Very low	36.1	Very low	250 Å²	250	161.6 Å²	161.6	100%	1.309	84%	0.842	S	S	*	*				-170.2	0	125.7	-97.7	159.8	0	0	0	108.1

Retrieved 206 of 206 residues in 39.6 ms (Link to these results)

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