A0A3B4WP61_SERLL Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A3B4WP61, Species SERLL (Seriola lalandi dorsalis), Gene n/a, Length 218 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	38.5	Very low	69.4	Low	247 Å²	247	119.5 Å²	119.5	100%	1.217	61%	0.607	S	S	*	*				0	98	0	-79	162	122.5	0	0	106.7
2	G	45.7	Very low	71.7	Confident	70 Å²	70	110.1 Å²	110.1	72%	0.722	56%	0.559	S	S	*	*			trans	-73.7	128.8	174.3	0	0	0	0	0	109
3	T	48.5	Very low	73.5	Confident	101 Å²	101	104.5 Å²	104.5	62%	0.62	53%	0.528	S	S	*	.			trans	-65.5	143.4	173.5	40.1	0	0	0	0	109.7	D5 D6	T3-D5 PolarHBondContact O-N 3Å; T3-D6 PolarHBondContact O-N 3.14Å; T3-D6 VanDerWaalsContact O-N 3.09Å
4	R	53.9	Low	75.1	Confident	234 Å²	234	97.1 Å²	97.1	88%	0.883	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-52.7	-12.8	-179.9	-78.2	176.6	167.1	170.6	-5.1	115.4	D6 E7	R4-D6 PolarHBondContact O-N 3.09Å; R4-E7 PolarHBondContact O-N 3.27Å
5	D	54.1	Low	76.5	Confident	127 Å²	127	90.7 Å²	90.7	68%	0.679	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-70.1	-8.2	173.7	-85.6	-23.7	0	0	0	115.1	T3	T3-D5 PolarHBondContact O-N 3Å
6	D	62.4	Low	77.7	Confident	94 Å²	94	85 Å²	85	50%	0.503	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-91.6	-9.1	175.8	-75.6	-37.5	0	0	0	114.2	T3 R4 Y8 K61	T3-D6 PolarHBondContact O-N 3.14Å; T3-D6 VanDerWaalsContact O-N 3.09Å; R4-D6 PolarHBondContact O-N 3.09Å; D6-Y8 WeakPolarHBondContact O-CD1 3.39Å; D6-Y8 PolarHBondContact O-N 2.69Å; D6-K61 IonicContact OD1-NZ 3.68Å; D6-K61 PolarHBondContact OD1-NZ 3.38Å
7	E	84.6	Confident	78.7	Confident	160 Å²	160	80 Å²	80	75%	0.748	40%	0.404	S	S	*	.			trans	-87.3	110.5	177.6	-161.3	167.7	-164.9	0	0	109.9	R4	R4-E7 PolarHBondContact O-N 3.27Å
8	Y	91.2	Very high	79.6	Confident	103 Å²	103	75.6 Å²	75.6	40%	0.404	38%	0.383	S	S	.	.			trans	-131.2	145.5	178.2	57.9	-94.2	0	0	0	110.5	D6 Y10 L11 K61	D6-Y8 WeakPolarHBondContact O-CD1 3.39Å; D6-Y8 PolarHBondContact O-N 2.69Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.32Å; Y8-L11 HydrophobicContact CD2-CB 4.16Å; Y8-L11 HydrophobicContact CE2-CB 3.66Å; Y8-L11 HydrophobicContact CE2-CD1 4.4Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; Y8-K61 HydrophobicContact CD1-CB 4.08Å; Y8-K61 HydrophobicContact CD1-CD 3.46Å; Y8-K61 VanDerWaalsContact CD1-CD 3.46Å; Y8-K61 HydrophobicContact CD1-CG 4.43Å; Y8-K61 HydrophobicContact CD2-CB 4.34Å; Y8-K61 HydrophobicContact CE1-CD 3.75Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.11Å
9	D	93.8	Very high	80.3	Confident	77 Å²	77	72.8 Å²	72.8	41%	0.412	37%	0.369	S	S	.	.	S	Bend	trans	-80	-36	174.9	-63.8	-93.2	0	0	0	111.3	K58 T59	D9-K58 HydrophobicContact CB-CB 4.24Å; D9-K58 HydrophobicContact CB-CD 3.96Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.38Å; D9-K58 IonicContact OD1-NZ 2.84Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; D9-T59 PolarHBondContact N-O 3.32Å; D9-T59 PolarHBondContact OD2-N 2.94Å
10	Y	95.1	Very high	80.9	Confident	32 Å²	32	71.5 Å²	71.5	13%	0.125	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.2	-176.8	-62.3	-88.4	0	0	0	111.7	Y8 F12 K58 T59 I60 K61 Y173 V176 Q180	Y8-Y10 WeakPolarHBondContact CD2-O 3.32Å; Y10-F12 HydrophobicContact CD1-CE1 4.01Å; Y10-F12 AromaticContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CG-CE1 4.24Å; Y10-F12 AromaticContact CG-CZ 3.96Å; Y10-F12 HydrophobicContact CG-CZ 3.96Å; Y10-K58 HydrophobicContact CD2-CB 4.3Å; Y10-K58 HydrophobicContact CE2-CB 4.18Å; Y10-K58 HydrophobicContact CE2-CD 4.38Å; Y10-K58 HydrophobicContact CE2-CG 4.13Å; Y10-T59 PolarHBondContact N-O 3.47Å; Y10-I60 HydrophobicContact CD2-CG1 4.45Å; Y10-K61 PolarHBondContact O-N 3.21Å; Y10-Y173 HydrophobicContact CD2-CD2 4.05Å; Y10-Y173 HydrophobicContact CD2-CE2 4.04Å; Y10-Y173 AromaticContact CE2-CD2 3.89Å; Y10-Y173 HydrophobicContact CE2-CD2 3.89Å; Y10-Y173 AromaticContact CE2-CE2 3.46Å; Y10-Y173 HydrophobicContact CE2-CE2 3.46Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.46Å; Y10-Y173 AromaticContact CZ-CE2 3.79Å; Y10-V176 HydrophobicContact CD1-CG1 4.25Å; Y10-V176 HydrophobicContact CE1-CG1 4.07Å; Y10-Q180 PolarHBondContact OH-OE1 2.83Å
11	L	95.5	Very high	81.4	Confident	70 Å²	70	70.4 Å²	70.4	37%	0.366	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.4	172.6	-175.3	69.3	0	0	0	108.7	Y8 K61 Q63	Y8-L11 HydrophobicContact CD2-CB 4.16Å; Y8-L11 HydrophobicContact CE2-CB 3.66Å; Y8-L11 HydrophobicContact CE2-CD1 4.4Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; L11-K61 WeakPolarHBondContact CA-O 3.29Å; L11-K61 HydrophobicContact CD1-CB 3.9Å; L11-K61 HydrophobicContact CD1-CD 4.24Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; L11-Q63 HydrophobicContact CD1-CG 3.75Å; L11-Q63 HydrophobicContact CG-CG 4.45Å
12	F	96.6	Very high	84.2	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.1	-178.9	-64.7	-24.5	0	0	0	111.4	Y10 I60 K61 A62 Q63 V85 L169 I172 V176	Y10-F12 HydrophobicContact CD1-CE1 4.01Å; Y10-F12 AromaticContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CG-CE1 4.24Å; Y10-F12 AromaticContact CG-CZ 3.96Å; Y10-F12 HydrophobicContact CG-CZ 3.96Å; F12-I60 HydrophobicContact CB-CG2 4.47Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.9Å; F12-I60 HydrophobicContact CE2-CG1 4.35Å; F12-I60 HydrophobicContact CE2-CG2 3.72Å; F12-I60 HydrophobicContact CG-CG2 4.06Å; F12-K61 PolarHBondContact N-O 3.14Å; F12-A62 CarbonylContact O-C 3.48Å; F12-A62 WeakPolarHBondContact O-CA 3.05Å; F12-Q63 PolarHBondContact O-N 2.92Å; F12-V85 HydrophobicContact CB-CG2 3.77Å; F12-V85 HydrophobicContact CD1-CG2 4.05Å; F12-V85 HydrophobicContact CG-CG2 4.09Å; F12-L169 HydrophobicContact CB-CD2 4.04Å; F12-L169 HydrophobicContact CD2-CD2 3.99Å; F12-I172 HydrophobicContact CD1-CG2 3.89Å; F12-I172 HydrophobicContact CD2-CB 4.12Å; F12-I172 HydrophobicContact CD2-CG2 3.71Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.08Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.85Å; F12-I172 HydrophobicContact CZ-CG2 3.79Å; F12-V176 HydrophobicContact CE1-CB 4.48Å; F12-V176 HydrophobicContact CE1-CG1 4.46Å; F12-V176 HydrophobicContact CE1-CG2 4.19Å; F12-V176 HydrophobicContact CZ-CB 4.45Å; F12-V176 HydrophobicContact CZ-CG2 4.43Å
13	K	95.7	Very high	86.5	Confident	38 Å²	38	56 Å²	56	17%	0.165	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.6	171.4	-179.5	174.2	174.1	-171.4	0	110.1	Q63 Y80 R82 A84 V85 G86	K13-Q63 WeakPolarHBondContact CA-O 3.21Å; K13-Y80 WeakPolarHBondContact CE-O 3.4Å; K13-Y80 PolarHBondContact NZ-O 3.26Å; K13-R82 PolarHBondContact NZ-O 3.37Å; K13-A84 HydrophobicContact CG-CB 4.34Å; K13-V85 WeakPolarHBondContact O-CG2 3.28Å; K13-V85 PolarHBondContact O-N 3.04Å; K13-G86 PolarHBondContact O-N 3.4Å
14	V	96.4	Very high	88.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.9	177.4	-179	0	0	0	0	109.7	Q63 I64 W65 G86 I168 L169 I172	V14-Q63 PolarHBondContact N-O 3.28Å; V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.32Å; V14-I64 WeakPolarHBondContact O-CA 3.45Å; V14-W65 PolarHBondContact O-N 2.99Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.39Å; V14-I168 HydrophobicContact CG1-CD1 4.46Å; V14-L169 HydrophobicContact CG2-CD2 3.96Å; V14-I172 HydrophobicContact CG2-CD1 4.17Å
15	V	95.6	Very high	90.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.8	177.3	-63.2	0	0	0	0	110.9	I17 W65 Y81 A84 G86 A87 L88 L109	V15-I17 HydrophobicContact CG2-CG2 4.26Å; V15-W65 HydrophobicContact CG1-CB 4.18Å; V15-Y81 HydrophobicContact CG2-CD1 4.21Å; V15-A84 HydrophobicContact CG1-CB 3.85Å; V15-A84 HydrophobicContact CG2-CB 4.21Å; V15-G86 PolarHBondContact N-O 2.96Å; V15-A87 HydrophobicContact CG2-CB 3.69Å; V15-A87 CarbonylContact O-C 3.55Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.37Å; V15-L88 PolarHBondContact O-N 3.29Å; V15-L109 HydrophobicContact CG2-CD1 4.26Å
16	L	95.9	Very high	92.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.5	169.6	-49.1	-176.7	0	0	0	108.4	K24 L28 I64 W65 D66 T67 L88 F165	L16-K24 HydrophobicContact CB-CB 4.11Å; L16-K24 HydrophobicContact CB-CD 4.13Å; L16-K24 HydrophobicContact CB-CG 4.38Å; L16-K24 HydrophobicContact CD1-CB 4.25Å; L16-K24 WeakPolarHBondContact CD1-O 3.29Å; L16-L28 HydrophobicContact CD1-CB 3.89Å; L16-I64 HydrophobicContact CD1-CG2 4.18Å; L16-I64 HydrophobicContact CD2-CG2 3.98Å; L16-I64 HydrophobicContact CG-CG2 3.9Å; L16-W65 PolarHBondContact N-O 3.12Å; L16-D66 HydrophobicContact CD1-CB 4.22Å; L16-T67 PolarHBondContact O-N 3.41Å; L16-T67 PolarHBondContact O-OG1 3.08Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.48Å; L16-L88 VanDerWaalsContact CD2-CD1 3.48Å; L16-L88 HydrophobicContact CD2-CG 4.1Å; L16-F165 HydrophobicContact CD2-CE1 4.09Å; L16-F165 HydrophobicContact CD2-CZ 4.06Å
17	I	94.4	Very high	94.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.9	-179.8	63.2	169.6	0	0	0	111.1	V15 Y81 L88 L89 V90 W105 L109	V15-I17 HydrophobicContact CG2-CG2 4.26Å; I17-Y81 HydrophobicContact CG2-CD1 4.44Å; I17-Y81 HydrophobicContact CG2-CE1 3.49Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.49Å; I17-L88 PolarHBondContact N-O 3.07Å; I17-L89 HydrophobicContact CD1-CB 4.37Å; I17-L89 HydrophobicContact CD1-CD1 3.82Å; I17-L89 HydrophobicContact CG1-CB 4.18Å; I17-L89 HydrophobicContact CG1-CD1 3.74Å; I17-V90 PolarHBondContact O-N 3.41Å; I17-W105 HydrophobicContact CB-CE3 4.37Å; I17-W105 HydrophobicContact CD1-CB 4.43Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CD2 3.83Å; I17-L109 HydrophobicContact CD1-CG 4.2Å
18	G	94.7	Very high	95	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	133.1	174	-175.8	0	0	0	0	0	112.2	K24 G69 V90 W105	G18-K24 PolarHBondContact O-NZ 3.44Å; G18-G69 WeakPolarHBondContact O-CA 3.32Å; G18-V90 WeakPolarHBondContact CA-O 3.34Å; G18-W105 WeakPolarHBondContact O-CZ2 3.29Å
19	D	93.6	Very high	95.1	Very high	23 Å²	23	19.8 Å²	19.8	12%	0.123	12%	0.122	C	C	.	.			trans	-60.6	160.5	-173.7	-81.3	9.3	0	0	0	113.8	G21 V22 K24 T98 N101 W105	D19-G21 PolarHBondContact O-N 3.49Å; D19-V22 HydrophobicContact CB-CG1 3.75Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.32Å; D19-K24 PolarHBondContact O-NZ 3.41Å; D19-T98 HydrophobicContact CB-CG2 4.06Å; D19-N101 WeakPolarHBondContact OD1-CB 3.3Å; D19-N101 PolarHBondContact OD2-ND2 2.68Å; D19-W105 PolarHBondContact OD1-NE1 2.75Å
20	S	91.8	Very high	95.3	Very high	46 Å²	46	18.1 Å²	18.1	32%	0.322	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	135.7	171.1	-168.9	0	0	0	0	110.7	V22 S42 G69	S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.32Å; S20-S42 PolarHBondContact OG-OG 3.13Å; S20-G69 PolarHBondContact N-O 2.89Å
21	G	92.2	Very high	95.3	Very high	49 Å²	49	16.8 Å²	16.8	51%	0.505	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	3.5	175.8	0	0	0	0	0	116.1	D19 G23 K125	D19-G21 PolarHBondContact O-N 3.49Å; G21-G23 PolarHBondContact O-N 3.5Å; G21-K125 WeakPolarHBondContact O-CE 3.43Å; G21-K125 PolarHBondContact O-NZ 3.05Å
22	V	95.8	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-70.9	-18.4	172.9	-57.2	0	0	0	0	113	D19 S20 K24 V90 D92 T98 N124 K125	D19-V22 HydrophobicContact CB-CG1 3.75Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.32Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.32Å; V22-K24 HydrophobicContact CG2-CD 4.33Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; V22-V90 HydrophobicContact CB-CG1 4.29Å; V22-V90 HydrophobicContact CG2-CB 3.93Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; V22-D92 HydrophobicContact CB-CB 4.38Å; V22-D92 HydrophobicContact CG1-CB 4.25Å; V22-T98 HydrophobicContact CG1-CG2 3.81Å; V22-N124 PolarHBondContact O-ND2 2.93Å; V22-K125 WeakPolarHBondContact O-CE 3.22Å
23	G	95.5	Very high	95	Very high	13 Å²	13	19.9 Å²	19.9	13%	0.134	12%	0.115	C	C	.	.	S	Bend	trans	105.9	20.7	173.7	0	0	0	0	0	116	G21 S25 N26 L27	G21-G23 PolarHBondContact O-N 3.5Å; G23-S25 PolarHBondContact O-N 3.34Å; G23-N26 PolarHBondContact O-N 3.5Å; G23-N26 VanDerWaalsContact O-N 3.16Å; G23-L27 PolarHBondContact O-N 3.04Å
24	K	95.9	Very high	94.9	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-52.7	-50.2	177.6	-57.3	-173.3	-61.9	-75.7	0	113.5	L16 G18 D19 V22 N26 L27 L28 D66 T67 V90	L16-K24 HydrophobicContact CB-CB 4.11Å; L16-K24 HydrophobicContact CB-CD 4.13Å; L16-K24 HydrophobicContact CB-CG 4.38Å; L16-K24 HydrophobicContact CD1-CB 4.25Å; L16-K24 WeakPolarHBondContact CD1-O 3.29Å; G18-K24 PolarHBondContact O-NZ 3.44Å; D19-K24 PolarHBondContact O-NZ 3.41Å; V22-K24 HydrophobicContact CG2-CD 4.33Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; K24-N26 VanDerWaalsContact C-N 3.28Å; K24-N26 PolarHBondContact O-N 3.11Å; K24-L27 WeakPolarHBondContact O-CB 3.35Å; K24-L27 PolarHBondContact O-N 3.44Å; K24-L27 VanDerWaalsContact O-N 3.11Å; K24-L28 PolarHBondContact O-N 2.99Å; K24-D66 WeakPolarHBondContact CB-OD1 3.44Å; K24-T67 WeakPolarHBondContact CE-O 3.18Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.08Å
25	S	95.2	Very high	94.7	Very high	22 Å²	22	28.5 Å²	28.5	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-34.2	178.8	-34.5	0	0	0	0	112.8	G23 L28 S29 T43 D66	G23-S25 PolarHBondContact O-N 3.34Å; S25-L28 PolarHBondContact O-N 3.05Å; S25-S29 WeakPolarHBondContact O-CB 3.41Å; S25-S29 PolarHBondContact O-N 3.25Å; S25-S29 PolarHBondContact O-OG 3.5Å; S25-T43 PolarHBondContact OG-OG1 3.2Å; S25-D66 WeakPolarHBondContact CA-OD2 3.38Å; S25-D66 VanDerWaalsContact CB-OD2 3.26Å; S25-D66 WeakPolarHBondContact CB-OD2 3.1Å; S25-D66 PolarHBondContact OG-OD2 3.44Å
26	N	96.2	Very high	94.5	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-73	-35.8	174.7	-89.8	-47.4	0	0	0	111.6	G23 K24 R30 F36 N37 S40 A155	G23-N26 PolarHBondContact O-N 3.5Å; G23-N26 VanDerWaalsContact O-N 3.16Å; K24-N26 VanDerWaalsContact C-N 3.28Å; K24-N26 PolarHBondContact O-N 3.11Å; N26-R30 WeakPolarHBondContact O-CB 3.26Å; N26-R30 PolarHBondContact O-N 3.46Å; N26-F36 HydrophobicContact CB-CD2 3.97Å; N26-F36 HydrophobicContact CB-CE2 4.1Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.45Å; N26-N37 PolarHBondContact ND2-O 3.05Å; N26-N37 PolarHBondContact OD1-N 2.84Å; N26-N37 PolarHBondContact OD1-O 2.84Å; N26-S40 PolarHBondContact ND2-OG 3.31Å; N26-A155 HydrophobicContact CB-CB 3.82Å
27	L	97.1	Very high	94.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-44.2	170.1	-73.6	170.8	0	0	0	111.3	G23 K24 R30 F31 V90 V122 N124 A155 V161	G23-L27 PolarHBondContact O-N 3.04Å; K24-L27 WeakPolarHBondContact O-CB 3.35Å; K24-L27 PolarHBondContact O-N 3.44Å; K24-L27 VanDerWaalsContact O-N 3.11Å; L27-R30 PolarHBondContact O-N 3.5Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 3.39Å; L27-V90 HydrophobicContact CD1-CG1 3.81Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L27-V122 HydrophobicContact CD1-CG1 4.2Å; L27-N124 HydrophobicContact CD1-CB 4.31Å; L27-A155 HydrophobicContact CD2-CB 4.02Å; L27-A155 HydrophobicContact CG-CB 4.26Å; L27-V161 HydrophobicContact CD2-CG1 4.16Å; L27-V161 HydrophobicContact CD2-CG2 3.75Å
28	L	96.4	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-50.7	175.4	-178.6	61.3	0	0	0	111.5	L16 K24 S25 R30 F31 T32 E47 A49 I64 D66	L16-L28 HydrophobicContact CD1-CB 3.89Å; K24-L28 PolarHBondContact O-N 2.99Å; S25-L28 PolarHBondContact O-N 3.05Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-F31 PolarHBondContact O-N 2.71Å; L28-T32 HydrophobicContact CD1-CG2 3.94Å; L28-T32 WeakPolarHBondContact O-CB 3.34Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 3.14Å; L28-E47 HydrophobicContact CD2-CG 4.2Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.24Å; L28-A49 HydrophobicContact CG-CB 4.25Å; L28-I64 HydrophobicContact CD1-CB 3.63Å; L28-I64 HydrophobicContact CD1-CD1 4.16Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-D66 HydrophobicContact CD2-CB 3.65Å
29	S	94.6	Very high	93	Very high	15 Å²	15	50.3 Å²	50.3	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-39.3	-179.3	-61.5	0	0	0	0	111.6	S25 T32 R33 N34 E35	S25-S29 WeakPolarHBondContact O-CB 3.41Å; S25-S29 PolarHBondContact O-N 3.25Å; S25-S29 PolarHBondContact O-OG 3.5Å; S29-T32 PolarHBondContact O-N 3.34Å; S29-R33 CarbonylContact O-C 3.57Å; S29-R33 WeakPolarHBondContact O-CA 3.34Å; S29-R33 WeakPolarHBondContact O-CB 3.21Å; S29-R33 PolarHBondContact O-N 3.11Å; S29-R33 PolarHBondContact OG-NH2 3.46Å; S29-N34 PolarHBondContact O-N 3.11Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.48Å; S29-E35 PolarHBondContact O-N 3.33Å
30	R	96.2	Very high	92.4	Very high	43 Å²	43	51.7 Å²	51.7	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-42.4	177.1	-178.5	61.8	73.6	-171.9	10.4	111.1	N26 L27 L28 N34 E35 A155 L156 V161	N26-R30 WeakPolarHBondContact O-CB 3.26Å; N26-R30 PolarHBondContact O-N 3.46Å; L27-R30 PolarHBondContact O-N 3.5Å; L28-R30 VanDerWaalsContact C-N 3.35Å; R30-N34 WeakPolarHBondContact CD-OD1 3.49Å; R30-N34 PolarHBondContact NH1-O 3.48Å; R30-N34 PolarHBondContact NH1-OD1 3.03Å; R30-N34 VanDerWaalsContact NH1-OD1 3.11Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.33Å; R30-N34 VanDerWaalsContact O-N 3.16Å; R30-E35 VanDerWaalsContact CA-O 3.32Å; R30-E35 WeakPolarHBondContact CA-O 3.49Å; R30-E35 PolarHBondContact N-O 3.07Å; R30-E35 VanDerWaalsContact N-O 3.14Å; R30-A155 PolarHBondContact NE-O 2.9Å; R30-A155 PolarHBondContact NH2-O 2.88Å; R30-L156 PolarHBondContact NH2-O 3.48Å; R30-V161 HydrophobicContact CB-CG1 4.11Å; R30-V161 HydrophobicContact CG-CB 4.13Å; R30-V161 HydrophobicContact CG-CG1 3.86Å; R30-V161 HydrophobicContact CG-CG2 4.05Å
31	F	96.3	Very high	91.9	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-41.5	176.8	-178.4	-110.8	0	0	0	112.3	L27 L28 R51 I53 I64 V161 F165	L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 3.39Å; L28-F31 PolarHBondContact O-N 2.71Å; F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.84Å; F31-R51 HydrophobicContact CE1-CG 4.09Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.3Å; F31-R51 WeakPolarHBondContact O-CD 3.22Å; F31-R51 PolarHBondContact O-NH1 2.83Å; F31-I53 HydrophobicContact CZ-CG2 4.11Å; F31-I64 HydrophobicContact CD1-CD1 3.46Å; F31-I64 VanDerWaalsContact CD1-CD1 3.46Å; F31-I64 HydrophobicContact CE1-CD1 3.53Å; F31-V161 HydrophobicContact CB-CG1 4.14Å; F31-F165 HydrophobicContact CB-CD2 3.59Å; F31-F165 HydrophobicContact CB-CE2 3.51Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.16Å; F31-F165 HydrophobicContact CD1-CB 4.26Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.28Å; F31-F165 AromaticContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.62Å; F31-F165 AromaticContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CD2 3.47Å; F31-F165 VanDerWaalsContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CE2 4.29Å; F31-F165 AromaticContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CE1-CB 3.99Å; F31-F165 HydrophobicContact CE1-CD1 4.05Å; F31-F165 AromaticContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE2-CB 3.31Å; F31-F165 HydrophobicContact CE2-CD2 4.12Å; F31-F165 AromaticContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CG-CB 4.1Å; F31-F165 HydrophobicContact CG-CD1 4.22Å; F31-F165 AromaticContact CG-CD2 3.38Å; F31-F165 HydrophobicContact CG-CD2 3.38Å; F31-F165 AromaticContact CG-CE2 3.78Å; F31-F165 HydrophobicContact CG-CE2 3.78Å; F31-F165 AromaticContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CZ 4.34Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.44Å; F31-F165 AromaticContact CZ-CG 3.98Å; F31-F165 HydrophobicContact CZ-CG 3.98Å
32	T	93.9	Very high	91.4	Very high	34 Å²	34	59.1 Å²	59.1	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-89.8	-33.7	-171.2	55.8	0	0	0	0	114	L28 S29 A49 R51 I64	L28-T32 HydrophobicContact CD1-CG2 3.94Å; L28-T32 WeakPolarHBondContact O-CB 3.34Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 3.14Å; S29-T32 PolarHBondContact O-N 3.34Å; T32-A49 HydrophobicContact CG2-CB 3.8Å; T32-R51 HydrophobicContact CG2-CB 4.3Å; T32-I64 HydrophobicContact CG2-CD1 4.41Å
33	R	92.1	Very high	90.5	Very high	107 Å²	107	60.3 Å²	60.3	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-122.5	-4.8	-172.8	-60.9	-177	-77.1	-103.6	1.4	113.6	S29 E35 E47	S29-R33 CarbonylContact O-C 3.57Å; S29-R33 WeakPolarHBondContact O-CA 3.34Å; S29-R33 WeakPolarHBondContact O-CB 3.21Å; S29-R33 PolarHBondContact O-N 3.11Å; S29-R33 PolarHBondContact OG-NH2 3.46Å; R33-E35 HydrophobicContact CB-CB 4.13Å; R33-E35 HydrophobicContact CB-CG 3.82Å; R33-E35 WeakPolarHBondContact CD-OE2 3.42Å; R33-E35 IonicContact NE-OE2 2.7Å; R33-E35 PolarHBondContact NE-OE2 3.39Å; R33-E35 PolarHBondContact O-N 3.3Å; R33-E47 IonicContact CZ-OE1 3.6Å; R33-E47 IonicContact NH1-OE1 3.24Å; R33-E47 IonicContact NH2-OE1 3.79Å; R33-E47 PolarHBondContact NH2-OE1 2.87Å
34	N	92.6	Very high	89.4	Confident	113 Å²	113	66.6 Å²	66.6	60%	0.604	34%	0.335	S	S	*	.	S	Bend	trans	53.4	35.5	-167.8	-165.1	21.3	0	0	0	113	S29 R30	S29-N34 PolarHBondContact O-N 3.11Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.49Å; R30-N34 PolarHBondContact NH1-O 3.48Å; R30-N34 PolarHBondContact NH1-OD1 3.03Å; R30-N34 VanDerWaalsContact NH1-OD1 3.11Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.33Å; R30-N34 VanDerWaalsContact O-N 3.16Å
35	E	92.4	Very high	88.3	Confident	107 Å²	107	67.4 Å²	67.4	50%	0.5	35%	0.346	S	S	.	.			trans	-110.2	151.7	-179.2	-72.8	172.5	175.6	0	0	111.3	S29 R30 R33	S29-E35 CarbonylContact C-O 3.48Å; S29-E35 PolarHBondContact O-N 3.33Å; R30-E35 VanDerWaalsContact CA-O 3.32Å; R30-E35 WeakPolarHBondContact CA-O 3.49Å; R30-E35 PolarHBondContact N-O 3.07Å; R30-E35 VanDerWaalsContact N-O 3.14Å; R33-E35 HydrophobicContact CB-CB 4.13Å; R33-E35 HydrophobicContact CB-CG 3.82Å; R33-E35 WeakPolarHBondContact CD-OE2 3.42Å; R33-E35 IonicContact NE-OE2 2.7Å; R33-E35 PolarHBondContact NE-OE2 3.39Å; R33-E35 PolarHBondContact O-N 3.3Å
36	F	92.3	Very high	87.7	Confident	64 Å²	64	68.2 Å²	68.2	28%	0.281	35%	0.35	S	S	.	.			trans	-139.3	136.2	171.1	173.5	-92	0	0	0	110	N26 L38 A155 L156	N26-F36 HydrophobicContact CB-CD2 3.97Å; N26-F36 HydrophobicContact CB-CE2 4.1Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.45Å; F36-L38 HydrophobicContact CE1-CB 4.05Å; F36-L38 HydrophobicContact CE1-CD1 3.89Å; F36-L38 HydrophobicContact CZ-CD1 4.21Å; F36-A155 HydrophobicContact CD2-CB 4.11Å; F36-A155 WeakPolarHBondContact CD2-O 3.26Å; F36-A155 HydrophobicContact CE2-CB 4.27Å; F36-L156 HydrophobicContact CD1-CD1 3.81Å; F36-L156 HydrophobicContact CE1-CD1 3.35Å; F36-L156 HydrophobicContact CE2-CB 4.12Å; F36-L156 HydrophobicContact CE2-CD1 4.38Å; F36-L156 HydrophobicContact CZ-CB 4.11Å; F36-L156 HydrophobicContact CZ-CD1 3.67Å; F36-L156 HydrophobicContact CZ-CG 4.5Å
37	N	87.9	Confident	87.3	Confident	87 Å²	87	70.8 Å²	70.8	47%	0.465	36%	0.361	S	S	.	.			trans	-121.6	112.5	177.4	-173.7	-3.9	0	0	0	110.1	N26 E39 S40	N26-N37 PolarHBondContact ND2-O 3.05Å; N26-N37 PolarHBondContact OD1-N 2.84Å; N26-N37 PolarHBondContact OD1-O 2.84Å; N37-E39 VanDerWaalsContact C-N 3.27Å; N37-E39 PolarHBondContact O-N 3.18Å; N37-E39 WeakPolarHBondContact OD1-CA 3.37Å; N37-E39 PolarHBondContact OD1-N 2.95Å; N37-S40 WeakPolarHBondContact O-CB 3.22Å; N37-S40 PolarHBondContact O-N 3.12Å
38	L	83.1	Confident	86.9	Confident	144 Å²	144	74.9 Å²	74.9	75%	0.754	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.8	176.2	-165.3	82.2	0	0	0	111.6	F36 S40	F36-L38 HydrophobicContact CE1-CB 4.05Å; F36-L38 HydrophobicContact CE1-CD1 3.89Å; F36-L38 HydrophobicContact CZ-CD1 4.21Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.27Å
39	E	82.3	Confident	86.8	Confident	164 Å²	164	75.3 Å²	75.3	77%	0.766	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	26	-179.5	-58.9	-171	166	0	0	112.2	N37 K41	N37-E39 VanDerWaalsContact C-N 3.27Å; N37-E39 PolarHBondContact O-N 3.18Å; N37-E39 WeakPolarHBondContact OD1-CA 3.37Å; N37-E39 PolarHBondContact OD1-N 2.95Å; E39-K41 PolarHBondContact O-N 3.23Å
40	S	80.3	Confident	86.8	Confident	53 Å²	53	77.8 Å²	77.8	37%	0.371	40%	0.398	S	S	.	.			trans	-56.1	114.6	178	65.4	0	0	0	0	110.3	N26 N37 L38	N26-S40 PolarHBondContact ND2-OG 3.31Å; N37-S40 WeakPolarHBondContact O-CB 3.22Å; N37-S40 PolarHBondContact O-N 3.12Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.27Å
41	K	80.8	Confident	86.7	Confident	191 Å²	191	79.1 Å²	79.1	83%	0.83	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-70.3	160.4	174.3	-66.2	-178.5	-179.7	176.2	0	110	E39 T43	E39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 2.84Å
42	S	81.7	Confident	86.6	Confident	60 Å²	60	81.3 Å²	81.3	42%	0.42	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-56.5	130	171.9	-66.6	0	0	0	0	110.2	S20 I44	S20-S42 PolarHBondContact OG-OG 3.13Å; S42-I44 PolarHBondContact O-N 2.94Å
43	T	77.1	Confident	86.6	Confident	25 Å²	25	80.3 Å²	80.3	15%	0.153	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-56.2	125.3	173.3	-43.6	0	0	0	0	109.7	S25 K41 D66 A68	S25-T43 PolarHBondContact OG-OG1 3.2Å; K41-T43 PolarHBondContact O-N 2.84Å; T43-D66 PolarHBondContact OG1-OD2 2.69Å; T43-A68 WeakPolarHBondContact O-CB 3.48Å
44	I	73.9	Confident	86.7	Confident	145 Å²	145	82.3 Å²	82.3	74%	0.744	43%	0.426	S	S	*	.			trans	-95.7	113.9	172	-59.2	176	0	0	0	106.6	S42 V46	S42-I44 PolarHBondContact O-N 2.94Å; I44-V46 PolarHBondContact O-N 3.25Å
45	G	72.4	Confident	86.7	Confident	25 Å²	25	77.5 Å²	77.5	26%	0.258	40%	0.4	S	S	.	.	S	Bend	trans	75.4	-121	-175.8	0	0	0	0	0	112.1	A68	G45-A68 WeakPolarHBondContact O-CB 3.39Å; G45-A68 PolarHBondContact O-N 2.91Å
46	V	82.3	Confident	86.6	Confident	38 Å²	38	78 Å²	78	23%	0.23	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.4	-173.1	-178.6	0	0	0	0	110.3	I44 W65 D66 T67 Y80	I44-V46 PolarHBondContact O-N 3.25Å; V46-W65 HydrophobicContact CG1-CB 4.33Å; V46-W65 HydrophobicContact CG1-CE3 3.67Å; V46-W65 HydrophobicContact CG1-CZ3 4.43Å; V46-D66 CarbonylContact C-O 3.32Å; V46-D66 VanDerWaalsContact CA-O 3.28Å; V46-D66 WeakPolarHBondContact CA-O 3.35Å; V46-D66 WeakPolarHBondContact CG1-O 3.21Å; V46-T67 HydrophobicContact CG2-CG2 4.5Å; V46-Y80 HydrophobicContact CB-CD1 4.42Å; V46-Y80 HydrophobicContact CB-CE1 3.97Å; V46-Y80 HydrophobicContact CB-CE2 4.43Å; V46-Y80 HydrophobicContact CG1-CD1 4Å; V46-Y80 HydrophobicContact CG1-CE1 3.94Å; V46-Y80 HydrophobicContact CG2-CD1 4.11Å; V46-Y80 HydrophobicContact CG2-CD2 3.75Å; V46-Y80 HydrophobicContact CG2-CE1 3.84Å; V46-Y80 HydrophobicContact CG2-CE2 3.47Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.47Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.5Å
47	E	86.6	Confident	86.5	Confident	64 Å²	64	78.1 Å²	78.1	30%	0.299	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.4	169.7	-175	178.5	165.6	0	0	109.4	L28 R33 W65 D66	L28-E47 HydrophobicContact CD2-CG 4.2Å; R33-E47 IonicContact CZ-OE1 3.6Å; R33-E47 IonicContact NH1-OE1 3.24Å; R33-E47 IonicContact NH2-OE1 3.79Å; R33-E47 PolarHBondContact NH2-OE1 2.87Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.23Å; E47-D66 HydrophobicContact CB-CB 4.24Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.5Å
48	F	89.2	Confident	86.8	Confident	90 Å²	90	77.6 Å²	77.6	40%	0.395	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.2	-178.6	170.5	-97.9	0	0	0	109.9	T50 Q63 I64 W65	F48-T50 HydrophobicContact CE1-CG2 3.63Å; F48-T50 HydrophobicContact CE2-CG2 4.24Å; F48-T50 HydrophobicContact CZ-CG2 3.35Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.85Å; F48-Q63 HydrophobicContact CZ-CB 4.32Å; F48-Q63 HydrophobicContact CZ-CG 3.87Å; F48-I64 WeakPolarHBondContact CA-O 3.5Å; F48-W65 HydrophobicContact CB-CE3 4.33Å; F48-W65 HydrophobicContact CB-CZ3 4.45Å; F48-W65 AromaticContact CD2-CD2 3.8Å; F48-W65 HydrophobicContact CD2-CD2 3.8Å; F48-W65 AromaticContact CD2-CE2 3.57Å; F48-W65 HydrophobicContact CD2-CE3 4.14Å; F48-W65 HydrophobicContact CD2-CG 4.3Å; F48-W65 HydrophobicContact CD2-CH2 4.18Å; F48-W65 AromaticContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ3 4.33Å; F48-W65 AromaticContact CD2-NE1 3.85Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 AromaticContact CE2-CZ2 3.94Å; F48-W65 HydrophobicContact CE2-CZ2 3.94Å; F48-W65 AromaticContact CE2-NE1 3.87Å
49	A	93.8	Very high	87.3	Confident	10 Å²	10	72.3 Å²	72.3	8%	0.083	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.1	170.5	0	0	0	0	0	111.2	L28 T32 I64	L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.24Å; L28-A49 HydrophobicContact CG-CB 4.25Å; T32-A49 HydrophobicContact CG2-CB 3.8Å; A49-I64 PolarHBondContact N-O 2.95Å; A49-I64 PolarHBondContact O-N 2.9Å
50	T	94.9	Very high	88	Confident	67 Å²	67	64.5 Å²	64.5	41%	0.411	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.2	176.6	56.1	0	0	0	0	111	F48 A62 Q63	F48-T50 HydrophobicContact CE1-CG2 3.63Å; F48-T50 HydrophobicContact CE2-CG2 4.24Å; F48-T50 HydrophobicContact CZ-CG2 3.35Å; T50-A62 WeakPolarHBondContact CA-O 3.45Å; T50-Q63 HydrophobicContact CG2-CG 4Å
51	R	94.7	Very high	88.8	Confident	71 Å²	71	63.6 Å²	63.6	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	133.8	169	-176.5	165.7	177	-145.7	-11	109.8	F31 T32 A62 E162	F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.84Å; F31-R51 HydrophobicContact CE1-CG 4.09Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.3Å; F31-R51 WeakPolarHBondContact O-CD 3.22Å; F31-R51 PolarHBondContact O-NH1 2.83Å; T32-R51 HydrophobicContact CG2-CB 4.3Å; R51-A62 PolarHBondContact N-O 3.42Å; R51-A62 WeakPolarHBondContact O-CB 3.28Å; R51-A62 PolarHBondContact O-N 3.26Å; R51-E162 IonicContact CZ-OE1 2.66Å; R51-E162 IonicContact CZ-OE2 3.8Å; R51-E162 IonicContact NH1-OE1 3.19Å; R51-E162 IonicContact NH1-OE2 2.7Å; R51-E162 PolarHBondContact NH1-OE2 2.85Å; R51-E162 IonicContact NH2-OE1 3.28Å; R51-E162 PolarHBondContact NH2-OE1 3.31Å; R51-E162 IonicContact NH2-OE2 2.79Å; R51-E162 PolarHBondContact NH2-OE2 3.12Å
52	S	94.8	Very high	89.5	Confident	49 Å²	49	54.5 Å²	54.5	34%	0.343	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.8	173.3	-60.5	0	0	0	0	110	I60	S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.28Å; S52-I60 WeakPolarHBondContact CA-O 3.3Å
53	I	94.1	Very high	90.2	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.062	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.3	172.1	66.1	162.3	0	0	0	109.8	F31 V55 I60 K166 L169	F31-I53 HydrophobicContact CZ-CG2 4.11Å; I53-V55 HydrophobicContact CD1-CG2 3.7Å; I53-V55 HydrophobicContact CG1-CG2 4.21Å; I53-I60 HydrophobicContact CG1-CB 4.17Å; I53-I60 PolarHBondContact N-O 3.35Å; I53-I60 PolarHBondContact O-N 3.46Å; I53-K166 HydrophobicContact CD1-CG 4.23Å; I53-L169 HydrophobicContact CD1-CB 3.79Å; I53-L169 HydrophobicContact CD1-CD1 3.43Å; I53-L169 VanDerWaalsContact CD1-CD1 3.43Å; I53-L169 HydrophobicContact CD1-CG 4.25Å; I53-L169 HydrophobicContact CG1-CD1 3.99Å
54	Q	93.6	Very high	91.1	Very high	150 Å²	150	52.9 Å²	52.9	70%	0.701	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.7	169.8	-69.9	-161.4	-9.3	0	0	110.9	K58	Q54-K58 WeakPolarHBondContact CA-O 3.36Å
55	V	92.3	Very high	92	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.4	173.7	178.2	0	0	0	0	107.4	I53 G57 K58 I60 T170 Y173	I53-V55 HydrophobicContact CD1-CG2 3.7Å; I53-V55 HydrophobicContact CG1-CG2 4.21Å; V55-G57 PolarHBondContact O-N 3.45Å; V55-G57 VanDerWaalsContact O-N 3.12Å; V55-K58 PolarHBondContact N-O 2.91Å; V55-K58 WeakPolarHBondContact O-CA 3.48Å; V55-K58 WeakPolarHBondContact O-CB 3.32Å; V55-K58 PolarHBondContact O-N 3.34Å; V55-I60 HydrophobicContact CB-CD1 3.63Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.36Å; V55-I60 HydrophobicContact CG2-CD1 3.61Å; V55-T170 HydrophobicContact CG1-CG2 3.94Å; V55-Y173 HydrophobicContact CG1-CD1 3.72Å; V55-Y173 HydrophobicContact CG1-CE1 4.25Å; V55-Y173 HydrophobicContact CG1-CG 4.28Å
56	D	90.3	Very high	93	Very high	118 Å²	118	47.6 Å²	47.6	63%	0.631	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.5	179.2	-59.2	-18.5	0	0	0	114.2	K58 Y173	D56-K58 PolarHBondContact O-N 3.39Å; D56-Y173 HydrophobicContact CB-CE1 3.96Å
57	G	90.2	Very high	93.1	Very high	66 Å²	66	45.8 Å²	45.8	68%	0.68	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	6.8	-178.4	0	0	0	0	0	114.9	V55	V55-G57 PolarHBondContact O-N 3.45Å; V55-G57 VanDerWaalsContact O-N 3.12Å
58	K	93.7	Very high	92.8	Very high	76 Å²	76	42.8 Å²	42.8	33%	0.33	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.1	175	-62.9	-62	-171	179.3	0	111.3	D9 Y10 Q54 V55 D56 Y173	D9-K58 HydrophobicContact CB-CB 4.24Å; D9-K58 HydrophobicContact CB-CD 3.96Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.38Å; D9-K58 IonicContact OD1-NZ 2.84Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; Y10-K58 HydrophobicContact CD2-CB 4.3Å; Y10-K58 HydrophobicContact CE2-CB 4.18Å; Y10-K58 HydrophobicContact CE2-CD 4.38Å; Y10-K58 HydrophobicContact CE2-CG 4.13Å; Q54-K58 WeakPolarHBondContact CA-O 3.36Å; V55-K58 PolarHBondContact N-O 2.91Å; V55-K58 WeakPolarHBondContact O-CA 3.48Å; V55-K58 WeakPolarHBondContact O-CB 3.32Å; V55-K58 PolarHBondContact O-N 3.34Å; D56-K58 PolarHBondContact O-N 3.39Å; K58-Y173 HydrophobicContact CB-CE2 4.32Å; K58-Y173 HydrophobicContact CG-CE2 4.14Å
59	T	95.1	Very high	92	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.209	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.3	175.8	-60.5	0	0	0	0	109.3	D9 Y10	D9-T59 PolarHBondContact N-O 3.32Å; D9-T59 PolarHBondContact OD2-N 2.94Å; Y10-T59 PolarHBondContact N-O 3.47Å
60	I	96	Very high	90.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118	177.4	-57.9	175.7	0	0	0	108.5	Y10 F12 S52 I53 V55 L169 Y173	Y10-I60 HydrophobicContact CD2-CG1 4.45Å; F12-I60 HydrophobicContact CB-CG2 4.47Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.9Å; F12-I60 HydrophobicContact CE2-CG1 4.35Å; F12-I60 HydrophobicContact CE2-CG2 3.72Å; F12-I60 HydrophobicContact CG-CG2 4.06Å; S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.28Å; S52-I60 WeakPolarHBondContact CA-O 3.3Å; I53-I60 HydrophobicContact CG1-CB 4.17Å; I53-I60 PolarHBondContact N-O 3.35Å; I53-I60 PolarHBondContact O-N 3.46Å; V55-I60 HydrophobicContact CB-CD1 3.63Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.36Å; V55-I60 HydrophobicContact CG2-CD1 3.61Å; I60-L169 HydrophobicContact CG2-CD2 4.38Å; I60-Y173 HydrophobicContact CD1-CD2 4.24Å; I60-Y173 HydrophobicContact CD1-CG 4.1Å
61	K	96.6	Very high	89.3	Confident	33 Å²	33	43.5 Å²	43.5	14%	0.143	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.1	170.6	-167.2	165.5	-171.6	163.4	0	108.7	D6 Y8 Y10 L11 F12	D6-K61 IonicContact OD1-NZ 3.68Å; D6-K61 PolarHBondContact OD1-NZ 3.38Å; Y8-K61 HydrophobicContact CD1-CB 4.08Å; Y8-K61 HydrophobicContact CD1-CD 3.46Å; Y8-K61 VanDerWaalsContact CD1-CD 3.46Å; Y8-K61 HydrophobicContact CD1-CG 4.43Å; Y8-K61 HydrophobicContact CD2-CB 4.34Å; Y8-K61 HydrophobicContact CE1-CD 3.75Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.11Å; Y10-K61 PolarHBondContact O-N 3.21Å; L11-K61 WeakPolarHBondContact CA-O 3.29Å; L11-K61 HydrophobicContact CD1-CB 3.9Å; L11-K61 HydrophobicContact CD1-CD 4.24Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; F12-K61 PolarHBondContact N-O 3.14Å
62	A	96.6	Very high	87.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.8	174.6	0	0	0	0	0	110.2	F12 T50 R51 I64 L169	F12-A62 CarbonylContact O-C 3.48Å; F12-A62 WeakPolarHBondContact O-CA 3.05Å; T50-A62 WeakPolarHBondContact CA-O 3.45Å; R51-A62 PolarHBondContact N-O 3.42Å; R51-A62 WeakPolarHBondContact O-CB 3.28Å; R51-A62 PolarHBondContact O-N 3.26Å; A62-I64 HydrophobicContact CB-CD1 4.4Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; A62-L169 HydrophobicContact CB-CD1 3.77Å; A62-L169 HydrophobicContact CB-CD2 3.83Å; A62-L169 HydrophobicContact CB-CG 4.48Å
63	Q	96.1	Very high	86.3	Confident	52 Å²	52	50 Å²	50	24%	0.243	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.4	172.1	-81.2	-170.5	-22.7	0	0	108.4	L11 F12 K13 V14 F48 T50	L11-Q63 HydrophobicContact CD1-CG 3.75Å; L11-Q63 HydrophobicContact CG-CG 4.45Å; F12-Q63 PolarHBondContact O-N 2.92Å; K13-Q63 WeakPolarHBondContact CA-O 3.21Å; V14-Q63 PolarHBondContact N-O 3.28Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.85Å; F48-Q63 HydrophobicContact CZ-CB 4.32Å; F48-Q63 HydrophobicContact CZ-CG 3.87Å; T50-Q63 HydrophobicContact CG2-CG 4Å
64	I	95.9	Very high	84.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	-170.3	-50.2	164	0	0	0	109.1	V14 L16 L28 F31 T32 F48 A49 A62 F165	V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.32Å; V14-I64 WeakPolarHBondContact O-CA 3.45Å; L16-I64 HydrophobicContact CD1-CG2 4.18Å; L16-I64 HydrophobicContact CD2-CG2 3.98Å; L16-I64 HydrophobicContact CG-CG2 3.9Å; L28-I64 HydrophobicContact CD1-CB 3.63Å; L28-I64 HydrophobicContact CD1-CD1 4.16Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; F31-I64 HydrophobicContact CD1-CD1 3.46Å; F31-I64 VanDerWaalsContact CD1-CD1 3.46Å; F31-I64 HydrophobicContact CE1-CD1 3.53Å; T32-I64 HydrophobicContact CG2-CD1 4.41Å; F48-I64 WeakPolarHBondContact CA-O 3.5Å; A49-I64 PolarHBondContact N-O 2.95Å; A49-I64 PolarHBondContact O-N 2.9Å; A62-I64 HydrophobicContact CB-CD1 4.4Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; I64-F165 HydrophobicContact CD1-CD1 3.85Å; I64-F165 HydrophobicContact CD1-CE1 3.64Å; I64-F165 HydrophobicContact CD1-CZ 4.48Å; I64-F165 HydrophobicContact CG1-CE1 4.29Å; I64-F165 HydrophobicContact CG2-CE1 4.01Å
65	W	93.7	Very high	83.4	Confident	58 Å²	58	50.1 Å²	50.1	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.9	-178.6	-61	77.8	0	0	0	109.3	V14 V15 L16 V46 E47 F48 Y80	V14-W65 PolarHBondContact O-N 2.99Å; V15-W65 HydrophobicContact CG1-CB 4.18Å; L16-W65 PolarHBondContact N-O 3.12Å; V46-W65 HydrophobicContact CG1-CB 4.33Å; V46-W65 HydrophobicContact CG1-CE3 3.67Å; V46-W65 HydrophobicContact CG1-CZ3 4.43Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.23Å; F48-W65 HydrophobicContact CB-CE3 4.33Å; F48-W65 HydrophobicContact CB-CZ3 4.45Å; F48-W65 AromaticContact CD2-CD2 3.8Å; F48-W65 HydrophobicContact CD2-CD2 3.8Å; F48-W65 AromaticContact CD2-CE2 3.57Å; F48-W65 HydrophobicContact CD2-CE3 4.14Å; F48-W65 HydrophobicContact CD2-CG 4.3Å; F48-W65 HydrophobicContact CD2-CH2 4.18Å; F48-W65 AromaticContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ3 4.33Å; F48-W65 AromaticContact CD2-NE1 3.85Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 AromaticContact CE2-CZ2 3.94Å; F48-W65 HydrophobicContact CE2-CZ2 3.94Å; F48-W65 AromaticContact CE2-NE1 3.87Å; W65-Y80 HydrophobicContact CD2-CD1 4.36Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.9Å; W65-Y80 HydrophobicContact CE3-CE1 3.9Å; W65-Y80 AromaticContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CD1 3.73Å; W65-Y80 AromaticContact CZ3-CE1 3.67Å; W65-Y80 HydrophobicContact CZ3-CE1 3.67Å
66	D	91.7	Very high	82.2	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.2	170.5	177.3	44.6	0	0	0	109.8	L16 K24 S25 L28 T43 V46 E47	L16-D66 HydrophobicContact CD1-CB 4.22Å; K24-D66 WeakPolarHBondContact CB-OD1 3.44Å; S25-D66 WeakPolarHBondContact CA-OD2 3.38Å; S25-D66 VanDerWaalsContact CB-OD2 3.26Å; S25-D66 WeakPolarHBondContact CB-OD2 3.1Å; S25-D66 PolarHBondContact OG-OD2 3.44Å; L28-D66 HydrophobicContact CD2-CB 3.65Å; T43-D66 PolarHBondContact OG1-OD2 2.69Å; V46-D66 CarbonylContact C-O 3.32Å; V46-D66 VanDerWaalsContact CA-O 3.28Å; V46-D66 WeakPolarHBondContact CA-O 3.35Å; V46-D66 WeakPolarHBondContact CG1-O 3.21Å; E47-D66 HydrophobicContact CB-CB 4.24Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.5Å
67	T	85.6	Confident	81.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	146.6	-177.2	66.4	0	0	0	0	111.9	L16 K24 V46 G69 T77	L16-T67 PolarHBondContact O-N 3.41Å; L16-T67 PolarHBondContact O-OG1 3.08Å; K24-T67 WeakPolarHBondContact CE-O 3.18Å; V46-T67 HydrophobicContact CG2-CG2 4.5Å; T67-G69 PolarHBondContact O-N 2.86Å; T67-T77 HydrophobicContact CG2-CG2 3.72Å
68	A	80.6	Confident	80.5	Confident	1 Å²	1	47 Å²	47	1%	0.008	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-59.4	122.7	170.9	0	0	0	0	0	110.7	T43 G45 Q70 Y73	T43-A68 WeakPolarHBondContact O-CB 3.48Å; G45-A68 WeakPolarHBondContact O-CB 3.39Å; G45-A68 PolarHBondContact O-N 2.91Å; A68-Q70 PolarHBondContact O-N 2.84Å; A68-Y73 HydrophobicContact CB-CD2 3.83Å; A68-Y73 HydrophobicContact CB-CG 4.39Å
69	G	71.4	Confident	79.8	Confident	9 Å²	9	46.9 Å²	46.9	9%	0.093	24%	0.242	C	C	.	.			trans	-81.8	10.4	176.6	0	0	0	0	0	114.4	G18 S20 T67	G18-G69 WeakPolarHBondContact O-CA 3.32Å; S20-G69 PolarHBondContact N-O 2.89Å; T67-G69 PolarHBondContact O-N 2.86Å
70	Q	70.4	Confident	79.3	Confident	47 Å²	47	48.5 Å²	48.5	22%	0.22	25%	0.245	C	C	.	.			trans	-89.9	131.6	176.6	-74.6	-170.2	20.3	0	0	110.4	A68 R72 Y73	A68-Q70 PolarHBondContact O-N 2.84Å; Q70-R72 PolarHBondContact O-N 3.09Å; Q70-Y73 HydrophobicContact CB-CD2 3.96Å; Q70-Y73 HydrophobicContact CB-CE2 4.31Å; Q70-Y73 PolarHBondContact O-N 2.86Å
71	E	61.5	Low	78.9	Confident	126 Å²	126	48.5 Å²	48.5	59%	0.589	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.1	-24.7	-178	64.7	-127.9	153.9	0	0	114.5	Y73 R74	E71-Y73 PolarHBondContact O-N 2.83Å; E71-R74 HydrophobicContact CB-CG 4.44Å; E71-R74 WeakPolarHBondContact O-CB 3.12Å; E71-R74 WeakPolarHBondContact O-CD 3.46Å; E71-R74 VanDerWaalsContact O-CG 3.23Å; E71-R74 WeakPolarHBondContact O-CG 3.34Å; E71-R74 PolarHBondContact O-N 2.82Å
72	R	61.5	Low	78.5	Confident	187 Å²	187	57 Å²	57	71%	0.706	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21	176.9	-65.5	-171.5	-65.1	173.7	-0.3	113.3	Q70	Q70-R72 PolarHBondContact O-N 3.09Å
73	Y	65.8	Low	78.1	Confident	70 Å²	70	58.8 Å²	58.8	28%	0.275	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-103.6	5.9	-179.6	-58.3	-60.8	0	0	0	113.8	A68 Q70 E71 A75 I76 T77	A68-Y73 HydrophobicContact CB-CD2 3.83Å; A68-Y73 HydrophobicContact CB-CG 4.39Å; Q70-Y73 HydrophobicContact CB-CD2 3.96Å; Q70-Y73 HydrophobicContact CB-CE2 4.31Å; Q70-Y73 PolarHBondContact O-N 2.86Å; E71-Y73 PolarHBondContact O-N 2.83Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 3.13Å; Y73-I76 HydrophobicContact CD1-CD1 4.39Å; Y73-I76 WeakPolarHBondContact O-CA 3.32Å; Y73-I76 WeakPolarHBondContact O-CB 3.32Å; Y73-I76 PolarHBondContact O-N 2.96Å; Y73-T77 PolarHBondContact O-N 3.48Å; Y73-T77 VanDerWaalsContact O-N 3.13Å; Y73-T77 PolarHBondContact O-OG1 3.49Å; Y73-T77 VanDerWaalsContact O-OG1 3.09Å
74	R	63.2	Low	78.1	Confident	70 Å²	70	56.3 Å²	56.3	26%	0.264	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-36.6	-174.2	-73.4	173.9	95.1	-157.7	12.4	114.8	E71 I76 T77 S78 E108	E71-R74 HydrophobicContact CB-CG 4.44Å; E71-R74 WeakPolarHBondContact O-CB 3.12Å; E71-R74 WeakPolarHBondContact O-CD 3.46Å; E71-R74 VanDerWaalsContact O-CG 3.23Å; E71-R74 WeakPolarHBondContact O-CG 3.34Å; E71-R74 PolarHBondContact O-N 2.82Å; R74-I76 PolarHBondContact O-N 3.35Å; R74-T77 PolarHBondContact O-N 3.17Å; R74-S78 PolarHBondContact O-N 3.1Å; R74-E108 IonicContact CZ-OE2 3.05Å; R74-E108 IonicContact NE-OE2 2.79Å; R74-E108 PolarHBondContact NE-OE2 3.1Å; R74-E108 IonicContact NH2-OE2 3.39Å; R74-E108 PolarHBondContact NH2-OE2 2.84Å
75	A	62.5	Low	78.1	Confident	94 Å²	94	58.6 Å²	58.6	78%	0.777	30%	0.296	S	S	*	.	H	α-helix	trans	-63.2	-24.6	177	0	0	0	0	0	112.8	Y73	Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 3.13Å
76	I	67.6	Low	78.2	Confident	94 Å²	94	55.8 Å²	55.8	48%	0.482	29%	0.286	S	S	.	.	H	α-helix	trans	-87.4	-36.2	177.4	-61.7	169.8	0	0	0	109.9	Y73 R74 S78 Y80	Y73-I76 HydrophobicContact CD1-CD1 4.39Å; Y73-I76 WeakPolarHBondContact O-CA 3.32Å; Y73-I76 WeakPolarHBondContact O-CB 3.32Å; Y73-I76 PolarHBondContact O-N 2.96Å; R74-I76 PolarHBondContact O-N 3.35Å; I76-S78 PolarHBondContact O-N 2.59Å; I76-Y80 HydrophobicContact CG2-CE2 3.91Å; I76-Y80 VanDerWaalsContact O-CD2 3.25Å; I76-Y80 WeakPolarHBondContact O-CD2 3.48Å; I76-Y80 WeakPolarHBondContact O-CE2 3.41Å
77	T	70.8	Confident	78.5	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-34.8	-175.6	-43.4	0	0	0	0	113.9	T67 Y73 R74 A79 Y80 Y81	T67-T77 HydrophobicContact CG2-CG2 3.72Å; Y73-T77 PolarHBondContact O-N 3.48Å; Y73-T77 VanDerWaalsContact O-N 3.13Å; Y73-T77 PolarHBondContact O-OG1 3.49Å; Y73-T77 VanDerWaalsContact O-OG1 3.09Å; R74-T77 PolarHBondContact O-N 3.17Å; T77-A79 PolarHBondContact O-N 3.02Å; T77-Y80 WeakPolarHBondContact O-CB 3.38Å; T77-Y80 PolarHBondContact O-N 3.39Å; T77-Y81 HydrophobicContact CG2-CE1 3.78Å; T77-Y81 VanDerWaalsContact CG2-OH 3.29Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.21Å
78	S	73.6	Confident	79.1	Confident	34 Å²	34	55.9 Å²	55.9	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-32	-177.1	61.3	0	0	0	0	113.7	R74 I76 Y80 Y81	R74-S78 PolarHBondContact O-N 3.1Å; I76-S78 PolarHBondContact O-N 2.59Å; S78-Y80 PolarHBondContact O-N 3.2Å; S78-Y81 PolarHBondContact O-N 2.87Å
79	A	80.1	Confident	79.9	Confident	72 Å²	72	55.9 Å²	55.9	60%	0.595	29%	0.286	S	S	*	.	H	α-helix	trans	-62.8	-27.1	176.1	0	0	0	0	0	112.7	T77	T77-A79 PolarHBondContact O-N 3.02Å
80	Y	84	Confident	81.1	Confident	68 Å²	68	55.5 Å²	55.5	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-81.4	-18.8	-177.9	-65	-87.7	0	0	0	113.2	K13 V46 W65 I76 T77 S78 R82	K13-Y80 WeakPolarHBondContact CE-O 3.4Å; K13-Y80 PolarHBondContact NZ-O 3.26Å; V46-Y80 HydrophobicContact CB-CD1 4.42Å; V46-Y80 HydrophobicContact CB-CE1 3.97Å; V46-Y80 HydrophobicContact CB-CE2 4.43Å; V46-Y80 HydrophobicContact CG1-CD1 4Å; V46-Y80 HydrophobicContact CG1-CE1 3.94Å; V46-Y80 HydrophobicContact CG2-CD1 4.11Å; V46-Y80 HydrophobicContact CG2-CD2 3.75Å; V46-Y80 HydrophobicContact CG2-CE1 3.84Å; V46-Y80 HydrophobicContact CG2-CE2 3.47Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.47Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.5Å; W65-Y80 HydrophobicContact CD2-CD1 4.36Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.9Å; W65-Y80 HydrophobicContact CE3-CE1 3.9Å; W65-Y80 AromaticContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CD1 3.73Å; W65-Y80 AromaticContact CZ3-CE1 3.67Å; W65-Y80 HydrophobicContact CZ3-CE1 3.67Å; I76-Y80 HydrophobicContact CG2-CE2 3.91Å; I76-Y80 VanDerWaalsContact O-CD2 3.25Å; I76-Y80 WeakPolarHBondContact O-CD2 3.48Å; I76-Y80 WeakPolarHBondContact O-CE2 3.41Å; T77-Y80 WeakPolarHBondContact O-CB 3.38Å; T77-Y80 PolarHBondContact O-N 3.39Å; S78-Y80 PolarHBondContact O-N 3.2Å; Y80-R82 VanDerWaalsContact C-N 3.3Å; Y80-R82 PolarHBondContact O-N 3.26Å
81	Y	87.9	Confident	82.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.6	-24	177.1	-55	-30.2	0	0	0	112.9	V15 I17 T77 S78 G83 A84 E108 L109 H112	V15-Y81 HydrophobicContact CG2-CD1 4.21Å; I17-Y81 HydrophobicContact CG2-CD1 4.44Å; I17-Y81 HydrophobicContact CG2-CE1 3.49Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.49Å; T77-Y81 HydrophobicContact CG2-CE1 3.78Å; T77-Y81 VanDerWaalsContact CG2-OH 3.29Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.21Å; S78-Y81 PolarHBondContact O-N 2.87Å; Y81-G83 PolarHBondContact O-N 2.88Å; Y81-A84 VanDerWaalsContact O-CB 3.22Å; Y81-A84 WeakPolarHBondContact O-CB 3.33Å; Y81-A84 PolarHBondContact O-N 3.35Å; Y81-E108 HydrophobicContact CE2-CG 4.07Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.2Å; Y81-E108 PolarHBondContact OH-OE1 3.41Å; Y81-L109 HydrophobicContact CD1-CD1 4.12Å; Y81-L109 HydrophobicContact CG-CD1 4.17Å; Y81-H112 HydrophobicContact CD2-CB 3.77Å
82	R	87.3	Confident	84.2	Confident	212 Å²	212	47.3 Å²	47.3	80%	0.8	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	126.3	-179.1	-170.4	178.5	-179.5	115.6	0.7	111.4	K13 Y80 A84	K13-R82 PolarHBondContact NZ-O 3.37Å; Y80-R82 VanDerWaalsContact C-N 3.3Å; Y80-R82 PolarHBondContact O-N 3.26Å; R82-A84 PolarHBondContact O-N 3.39Å
83	G	89.8	Confident	86	Confident	37 Å²	37	38.4 Å²	38.4	38%	0.381	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	10.9	-178.5	0	0	0	0	0	114.3	Y81	Y81-G83 PolarHBondContact O-N 2.88Å
84	A	94.4	Very high	87.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.			trans	-71.8	127.1	167.8	0	0	0	0	0	109.1	K13 V15 Y81 R82 I117	K13-A84 HydrophobicContact CG-CB 4.34Å; V15-A84 HydrophobicContact CG1-CB 3.85Å; V15-A84 HydrophobicContact CG2-CB 4.21Å; Y81-A84 VanDerWaalsContact O-CB 3.22Å; Y81-A84 WeakPolarHBondContact O-CB 3.33Å; Y81-A84 PolarHBondContact O-N 3.35Å; R82-A84 PolarHBondContact O-N 3.39Å; A84-I117 HydrophobicContact CB-CD1 3.96Å
85	V	95.9	Very high	89.1	Confident	48 Å²	48	38.3 Å²	38.3	29%	0.291	22%	0.217	S	C	.	.	S	Bend	trans	-95.8	-15	177.7	-65.3	0	0	0	0	111.9	F12 K13 V118 I172	F12-V85 HydrophobicContact CB-CG2 3.77Å; F12-V85 HydrophobicContact CD1-CG2 4.05Å; F12-V85 HydrophobicContact CG-CG2 4.09Å; K13-V85 WeakPolarHBondContact O-CG2 3.28Å; K13-V85 PolarHBondContact O-N 3.04Å; V85-V118 PolarHBondContact O-N 2.97Å; V85-I172 HydrophobicContact CB-CG2 4.08Å; V85-I172 HydrophobicContact CG2-CD1 4.22Å; V85-I172 HydrophobicContact CG2-CG2 3.83Å
86	G	96.9	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.1	168.5	0	0	0	0	0	114.4	K13 V14 V15 V118	K13-G86 PolarHBondContact O-N 3.4Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.39Å; V15-G86 PolarHBondContact N-O 2.96Å; G86-V118 CarbonylContact C-O 3.5Å; G86-V118 WeakPolarHBondContact CA-O 3.34Å
87	A	97.1	Very high	92.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.7	175.2	0	0	0	0	0	111.6	V15 L109 I117 V118 I119 M120 I168	V15-A87 HydrophobicContact CG2-CB 3.69Å; V15-A87 CarbonylContact O-C 3.55Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.37Å; A87-L109 HydrophobicContact CB-CD1 4.1Å; A87-L109 HydrophobicContact CB-CD2 3.38Å; A87-L109 HydrophobicContact CB-CG 4.38Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; A87-I117 HydrophobicContact CB-CG1 4.5Å; A87-V118 PolarHBondContact N-O 2.84Å; A87-I119 WeakPolarHBondContact O-CA 3.24Å; A87-M120 PolarHBondContact O-N 3.37Å; A87-I168 WeakPolarHBondContact O-CD1 3.29Å
88	L	97.9	Very high	93.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.6	165.3	-68.3	166.2	0	0	0	108.2	V15 L16 I17 V90 M120 V122 F165 I168	V15-L88 PolarHBondContact O-N 3.29Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.48Å; L16-L88 VanDerWaalsContact CD2-CD1 3.48Å; L16-L88 HydrophobicContact CD2-CG 4.1Å; I17-L88 PolarHBondContact N-O 3.07Å; L88-V90 HydrophobicContact CB-CG2 4.34Å; L88-M120 WeakPolarHBondContact CA-O 3.28Å; L88-M120 HydrophobicContact CD2-CB 3.81Å; L88-M120 HydrophobicContact CD2-CG 3.95Å; L88-M120 HydrophobicContact CD2-SD 3.68Å; L88-V122 HydrophobicContact CB-CG2 4.21Å; L88-V122 HydrophobicContact CD2-CG2 3.53Å; L88-V122 HydrophobicContact CG-CG2 4.41Å; L88-F165 HydrophobicContact CD1-CD1 3.73Å; L88-F165 HydrophobicContact CD1-CE1 3.32Å; L88-F165 HydrophobicContact CD1-CE2 4.18Å; L88-F165 HydrophobicContact CD1-CG 4.31Å; L88-F165 HydrophobicContact CD1-CZ 3.58Å; L88-I168 HydrophobicContact CD2-CD1 4.1Å; L88-I168 HydrophobicContact CD2-CG2 4.37Å; L88-I168 HydrophobicContact CG-CD1 4.19Å
89	L	97.5	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	103.2	177.9	177.2	52.7	0	0	0	109	I17 V102 W105 L106 I119 M120 L121 V122	I17-L89 HydrophobicContact CD1-CB 4.37Å; I17-L89 HydrophobicContact CD1-CD1 3.82Å; I17-L89 HydrophobicContact CG1-CB 4.18Å; I17-L89 HydrophobicContact CG1-CD1 3.74Å; L89-V102 HydrophobicContact CD2-CG1 3.52Å; L89-V102 HydrophobicContact CG-CG1 3.96Å; L89-W105 HydrophobicContact CD1-CB 3.45Å; L89-W105 VanDerWaalsContact CD1-CB 3.45Å; L89-W105 HydrophobicContact CD1-CG 4.18Å; L89-L106 HydrophobicContact CD2-CB 3.92Å; L89-L106 HydrophobicContact CD2-CD1 4.37Å; L89-I119 HydrophobicContact CB-CG2 4.38Å; L89-M120 PolarHBondContact N-O 2.56Å; L89-L121 HydrophobicContact CD2-CD1 4.43Å; L89-L121 HydrophobicContact CG-CD1 4.13Å; L89-L121 CarbonylContact O-C 3.44Å; L89-L121 WeakPolarHBondContact O-CA 3.22Å; L89-V122 PolarHBondContact O-N 3.22Å
90	V	98.3	Very high	95.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.7	-166.3	-168.1	0	0	0	0	111.2	I17 G18 V22 K24 L27 L88 V122 N124	I17-V90 PolarHBondContact O-N 3.41Å; G18-V90 WeakPolarHBondContact CA-O 3.34Å; V22-V90 HydrophobicContact CB-CG1 4.29Å; V22-V90 HydrophobicContact CG2-CB 3.93Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.08Å; L27-V90 HydrophobicContact CD1-CG1 3.81Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L88-V90 HydrophobicContact CB-CG2 4.34Å; V90-V122 WeakPolarHBondContact CA-O 3.33Å; V90-V122 HydrophobicContact CG1-CB 4.42Å; V90-V122 HydrophobicContact CG1-CG1 4.41Å; V90-V122 HydrophobicContact CG2-CB 4.21Å; V90-N124 HydrophobicContact CG1-CB 3.79Å
91	Y	98.6	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	167.3	167.9	74.3	-85.4	0	0	0	110.9	I93 Y99 V102 L121 V122 N124 V134 A139 F150	Y91-I93 HydrophobicContact CE2-CB 4.46Å; Y91-I93 HydrophobicContact CE2-CG2 3.84Å; Y91-Y99 HydrophobicContact CD1-CD2 4.21Å; Y91-Y99 HydrophobicContact CD2-CD2 4.09Å; Y91-Y99 HydrophobicContact CD2-CG 4.39Å; Y91-Y99 HydrophobicContact CE1-CD2 4.18Å; Y91-Y99 HydrophobicContact CE2-CD2 4.07Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; Y91-V102 HydrophobicContact CD1-CG2 4.26Å; Y91-V102 HydrophobicContact CG-CG2 4.31Å; Y91-L121 HydrophobicContact CD1-CD1 3.78Å; Y91-L121 HydrophobicContact CD1-CG 4.2Å; Y91-L121 HydrophobicContact CE1-CD1 4Å; Y91-L121 HydrophobicContact CE1-CD2 4.15Å; Y91-L121 HydrophobicContact CE1-CG 3.91Å; Y91-V122 WeakPolarHBondContact CD1-O 3.47Å; Y91-V122 PolarHBondContact N-O 3.16Å; Y91-N124 PolarHBondContact O-N 2.92Å; Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.92Å; Y91-V134 HydrophobicContact CE2-CG1 3.81Å; Y91-V134 HydrophobicContact CE2-CG2 4.06Å; Y91-A139 HydrophobicContact CE1-CB 4.28Å; Y91-A139 WeakPolarHBondContact OH-CB 3.4Å; Y91-F150 HydrophobicContact CE1-CE2 4.26Å
92	D	98.1	Very high	96.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.1	176.6	178.7	-11.3	0	0	0	109.3	V22 A94 K95 T98 K125	V22-D92 HydrophobicContact CB-CB 4.38Å; V22-D92 HydrophobicContact CG1-CB 4.25Å; D92-A94 PolarHBondContact O-N 2.63Å; D92-A94 VanDerWaalsContact O-N 3.1Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 2.78Å; D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 HydrophobicContact CB-CG 4.46Å; D92-K95 CarbonylContact O-C 3.6Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.48Å; D92-T98 HydrophobicContact CB-CG2 4.36Å; D92-T98 PolarHBondContact N-OG1 2.93Å; D92-T98 PolarHBondContact O-OG1 3.19Å; D92-K125 WeakPolarHBondContact OD2-CD 3.42Å; D92-K125 VanDerWaalsContact OD2-CE 3.3Å; D92-K125 WeakPolarHBondContact OD2-CE 3.44Å; D92-K125 IonicContact OD2-NZ 3.14Å; D92-K125 PolarHBondContact OD2-NZ 2.66Å
93	I	98.4	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.6	-177.6	66.1	149.8	0	0	0	113.3	Y91 N124 K125 A133 V134	Y91-I93 HydrophobicContact CE2-CB 4.46Å; Y91-I93 HydrophobicContact CE2-CG2 3.84Å; I93-N124 WeakPolarHBondContact CG1-O 3.09Å; I93-N124 PolarHBondContact N-O 3.4Å; I93-K125 WeakPolarHBondContact CD1-O 3.4Å; I93-K125 WeakPolarHBondContact CG1-O 3.34Å; I93-A133 PolarHBondContact O-N 2.87Å; I93-V134 PolarHBondContact O-N 3.14Å; I93-V134 VanDerWaalsContact O-N 3.09Å
94	A	97.9	Very high	96.9	Very high	23 Å²	23	37 Å²	37	19%	0.19	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.8	178.6	0	0	0	0	0	112.9	D92 L128 L131	D92-A94 PolarHBondContact O-N 2.63Å; D92-A94 VanDerWaalsContact O-N 3.1Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 2.78Å; A94-L128 HydrophobicContact CB-CB 4.21Å; A94-L128 HydrophobicContact CB-CD1 4.11Å; A94-L131 WeakPolarHBondContact CA-O 3.4Å; A94-L131 HydrophobicContact CB-CB 4.06Å; A94-L131 WeakPolarHBondContact CB-O 3.44Å
95	K	97.3	Very high	96.9	Very high	115 Å²	115	37.4 Å²	37.4	50%	0.5	18%	0.18	S	C	.	.			trans	-133.7	97.3	-178.6	-63.5	-175.3	-177.8	-176.1	0	112	D92 L97 T98	D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 HydrophobicContact CB-CG 4.46Å; D92-K95 CarbonylContact O-C 3.6Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.48Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.97Å; K95-T98 HydrophobicContact CB-CG2 3.9Å; K95-T98 PolarHBondContact O-N 3.28Å; K95-T98 PolarHBondContact O-OG1 3.28Å
96	H	96.9	Very high	96.8	Very high	67 Å²	67	35.3 Å²	35.3	31%	0.31	17%	0.167	S	C	.	.	H	α-helix	trans	-53.5	-40.5	-177.3	-164.4	-91.9	0	0	0	114.2	T98 Y99 E100 A133	H96-T98 PolarHBondContact O-N 2.79Å; H96-T98 VanDerWaalsContact O-N 3.14Å; H96-Y99 WeakPolarHBondContact O-CA 3.46Å; H96-Y99 WeakPolarHBondContact O-CB 3.48Å; H96-Y99 PolarHBondContact O-N 2.98Å; H96-E100 IonicContact CE1-OE1 2.84Å; H96-E100 PolarHBondContact CE1-OE1 3.04Å; H96-E100 IonicContact ND1-OE1 2.64Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 PolarHBondContact O-N 3.18Å; H96-A133 HydrophobicContact CB-CB 4.16Å
97	L	96.5	Very high	96.7	Very high	110 Å²	110	41.8 Å²	41.8	58%	0.576	20%	0.195	S	C	*	.	H	α-helix	trans	-55.4	-35.5	178.4	-179.4	61.7	0	0	0	112.9	K95 Y99 E100 N101	K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.97Å; L97-Y99 PolarHBondContact O-N 3.47Å; L97-E100 PolarHBondContact O-N 3.12Å; L97-N101 PolarHBondContact O-N 3.11Å; L97-N101 VanDerWaalsContact O-N 3.09Å; L97-N101 PolarHBondContact O-ND2 3.06Å
98	T	97.3	Very high	96.3	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-26.6	179	70.4	0	0	0	0	112.2	D19 V22 D92 K95 H96	D19-T98 HydrophobicContact CB-CG2 4.06Å; V22-T98 HydrophobicContact CG1-CG2 3.81Å; D92-T98 HydrophobicContact CB-CG2 4.36Å; D92-T98 PolarHBondContact N-OG1 2.93Å; D92-T98 PolarHBondContact O-OG1 3.19Å; K95-T98 HydrophobicContact CB-CG2 3.9Å; K95-T98 PolarHBondContact O-N 3.28Å; K95-T98 PolarHBondContact O-OG1 3.28Å; H96-T98 PolarHBondContact O-N 2.79Å; H96-T98 VanDerWaalsContact O-N 3.14Å
99	Y	98.1	Very high	96	Very high	20 Å²	20	42.4 Å²	42.4	8%	0.078	20%	0.198	C	C	.	.	H	α-helix	trans	-79	-41.7	173.9	173.8	-105.3	0	0	0	111.6	Y91 H96 L97 N101 V102 V134 E138 A139 F142	Y91-Y99 HydrophobicContact CD1-CD2 4.21Å; Y91-Y99 HydrophobicContact CD2-CD2 4.09Å; Y91-Y99 HydrophobicContact CD2-CG 4.39Å; Y91-Y99 HydrophobicContact CE1-CD2 4.18Å; Y91-Y99 HydrophobicContact CE2-CD2 4.07Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; H96-Y99 WeakPolarHBondContact O-CA 3.46Å; H96-Y99 WeakPolarHBondContact O-CB 3.48Å; H96-Y99 PolarHBondContact O-N 2.98Å; L97-Y99 PolarHBondContact O-N 3.47Å; Y99-N101 PolarHBondContact O-N 3.47Å; Y99-V102 HydrophobicContact CD2-CG2 4.29Å; Y99-V102 WeakPolarHBondContact O-CB 3.28Å; Y99-V102 VanDerWaalsContact O-CG2 3.26Å; Y99-V102 WeakPolarHBondContact O-CG2 3.37Å; Y99-V102 PolarHBondContact O-N 3.22Å; Y99-V134 HydrophobicContact CD1-CG1 3.95Å; Y99-V134 HydrophobicContact CD1-CG2 4.3Å; Y99-V134 HydrophobicContact CD2-CG1 3.92Å; Y99-V134 HydrophobicContact CE1-CG1 4.24Å; Y99-V134 HydrophobicContact CE2-CG1 4.21Å; Y99-V134 HydrophobicContact CG-CG1 3.78Å; Y99-V134 HydrophobicContact CG-CG2 3.99Å; Y99-E138 HydrophobicContact CE1-CG 4.26Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.31Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.45Å; Y99-E138 PolarHBondContact OH-O 3.34Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; Y99-F142 VanDerWaalsContact OH-CB 3.24Å; Y99-F142 WeakPolarHBondContact OH-CB 3.27Å
100	E	96.9	Very high	95.7	Very high	110 Å²	110	47.7 Å²	47.7	51%	0.514	22%	0.218	S	C	.	.	H	α-helix	trans	-56.6	-39.1	172.3	-70.1	175.5	-177.3	0	0	111.9	H96 L97 V102	H96-E100 IonicContact CE1-OE1 2.84Å; H96-E100 PolarHBondContact CE1-OE1 3.04Å; H96-E100 IonicContact ND1-OE1 2.64Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 PolarHBondContact O-N 3.18Å; L97-E100 PolarHBondContact O-N 3.12Å; E100-V102 PolarHBondContact O-N 3.19Å
101	N	95.9	Very high	95.4	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.8	177.9	-73.4	-32	0	0	0	114.1	D19 L97 Y99 E103 R104 W105	D19-N101 WeakPolarHBondContact OD1-CB 3.3Å; D19-N101 PolarHBondContact OD2-ND2 2.68Å; L97-N101 PolarHBondContact O-N 3.11Å; L97-N101 VanDerWaalsContact O-N 3.09Å; L97-N101 PolarHBondContact O-ND2 3.06Å; Y99-N101 PolarHBondContact O-N 3.47Å; N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.46Å; N101-R104 WeakPolarHBondContact O-CB 3.19Å; N101-R104 PolarHBondContact O-N 2.97Å; N101-R104 VanDerWaalsContact O-N 3.17Å; N101-W105 PolarHBondContact O-N 3.14Å; N101-W105 VanDerWaalsContact O-N 3.07Å
102	V	96.6	Very high	94.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-56.4	-41.4	177.6	168.7	0	0	0	0	111.1	L89 Y91 Y99 E100 R104 W105 L106 L121 F142	L89-V102 HydrophobicContact CD2-CG1 3.52Å; L89-V102 HydrophobicContact CG-CG1 3.96Å; Y91-V102 HydrophobicContact CD1-CG2 4.26Å; Y91-V102 HydrophobicContact CG-CG2 4.31Å; Y99-V102 HydrophobicContact CD2-CG2 4.29Å; Y99-V102 WeakPolarHBondContact O-CB 3.28Å; Y99-V102 VanDerWaalsContact O-CG2 3.26Å; Y99-V102 WeakPolarHBondContact O-CG2 3.37Å; Y99-V102 PolarHBondContact O-N 3.22Å; E100-V102 PolarHBondContact O-N 3.19Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.92Å; V102-W105 PolarHBondContact O-N 2.84Å; V102-L106 WeakPolarHBondContact O-CB 3.47Å; V102-L106 PolarHBondContact O-N 2.97Å; V102-L121 HydrophobicContact CG1-CD1 3.59Å; V102-L121 HydrophobicContact CG2-CD1 4.1Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 VanDerWaalsContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.82Å
103	E	95.6	Very high	94.4	Very high	136 Å²	136	57.6 Å²	57.6	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-61.9	-40.9	-179.6	-174.1	170.5	-164.3	0	0	111.7	N101 L106 K107 F142	N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.46Å; E103-L106 PolarHBondContact O-N 3.42Å; E103-K107 WeakPolarHBondContact O-CB 3.34Å; E103-K107 PolarHBondContact O-N 2.91Å; E103-F142 HydrophobicContact CB-CE2 4.46Å; E103-F142 HydrophobicContact CB-CZ 4.48Å
104	R	93.4	Very high	93.9	Very high	97 Å²	97	62 Å²	62	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175.5	174	-176.1	171.4	-170.7	-0.4	111.7	N101 V102 K107 E108	N101-R104 WeakPolarHBondContact O-CB 3.19Å; N101-R104 PolarHBondContact O-N 2.97Å; N101-R104 VanDerWaalsContact O-N 3.17Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.92Å; R104-K107 PolarHBondContact O-N 2.82Å; R104-E108 WeakPolarHBondContact O-CB 3.31Å; R104-E108 PolarHBondContact O-N 3.34Å
105	W	93.7	Very high	93.3	Very high	7 Å²	7	68.4 Å²	68.4	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-40.2	177.2	-75.8	112.8	0	0	0	112.3	I17 G18 D19 L89 N101 V102 K107 E108 L109	I17-W105 HydrophobicContact CB-CE3 4.37Å; I17-W105 HydrophobicContact CD1-CB 4.43Å; G18-W105 WeakPolarHBondContact O-CZ2 3.29Å; D19-W105 PolarHBondContact OD1-NE1 2.75Å; L89-W105 HydrophobicContact CD1-CB 3.45Å; L89-W105 VanDerWaalsContact CD1-CB 3.45Å; L89-W105 HydrophobicContact CD1-CG 4.18Å; N101-W105 PolarHBondContact O-N 3.14Å; N101-W105 VanDerWaalsContact O-N 3.07Å; V102-W105 PolarHBondContact O-N 2.84Å; W105-K107 VanDerWaalsContact C-N 3.35Å; W105-E108 PolarHBondContact O-N 2.73Å; W105-L109 WeakPolarHBondContact O-CB 3.32Å; W105-L109 PolarHBondContact O-N 2.76Å
106	L	94.7	Very high	92.8	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-44.8	176.5	179.3	61.4	0	0	0	111.2	L89 V102 E103 L109 R110 I119 F142 N146 L148	L89-L106 HydrophobicContact CD2-CB 3.92Å; L89-L106 HydrophobicContact CD2-CD1 4.37Å; V102-L106 WeakPolarHBondContact O-CB 3.47Å; V102-L106 PolarHBondContact O-N 2.97Å; E103-L106 PolarHBondContact O-N 3.42Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-R110 WeakPolarHBondContact O-CG 3.12Å; L106-R110 PolarHBondContact O-N 3.34Å; L106-I119 HydrophobicContact CD1-CD1 3.73Å; L106-I119 HydrophobicContact CD1-CG2 4.36Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L106-N146 HydrophobicContact CD2-CB 3.97Å; L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.94Å; L106-L148 HydrophobicContact CD2-CD1 4.19Å
107	K	93.3	Very high	92.7	Very high	136 Å²	136	65.2 Å²	65.2	59%	0.591	32%	0.315	S	S	*	.	H	α-helix	trans	-60.5	-49.7	175.1	-176.7	178	178.4	179.7	0	111.3	E103 R104 W105 L109 R110 D111	E103-K107 WeakPolarHBondContact O-CB 3.34Å; E103-K107 PolarHBondContact O-N 2.91Å; R104-K107 PolarHBondContact O-N 2.82Å; W105-K107 VanDerWaalsContact C-N 3.35Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.91Å; K107-R110 PolarHBondContact O-N 3.23Å; K107-D111 WeakPolarHBondContact O-CB 3.36Å; K107-D111 PolarHBondContact O-N 2.7Å
108	E	89.9	Confident	92.7	Very high	15 Å²	15	60.5 Å²	60.5	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-41.9	179.3	-173.4	-172.5	137.9	0	0	112.2	R74 Y81 R104 W105 D111 H112	R74-E108 IonicContact CZ-OE2 3.05Å; R74-E108 IonicContact NE-OE2 2.79Å; R74-E108 PolarHBondContact NE-OE2 3.1Å; R74-E108 IonicContact NH2-OE2 3.39Å; R74-E108 PolarHBondContact NH2-OE2 2.84Å; Y81-E108 HydrophobicContact CE2-CG 4.07Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.2Å; Y81-E108 PolarHBondContact OH-OE1 3.41Å; R104-E108 WeakPolarHBondContact O-CB 3.31Å; R104-E108 PolarHBondContact O-N 3.34Å; W105-E108 PolarHBondContact O-N 2.73Å; E108-D111 PolarHBondContact O-N 2.86Å; E108-H112 PolarHBondContact O-N 2.85Å; E108-H112 PolarHBondContact O-ND1 3.39Å
109	L	91.4	Very high	92.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-48.6	176.3	-177.9	68.6	0	0	0	111.1	V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119	V15-L109 HydrophobicContact CG2-CD1 4.26Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CD2 3.83Å; I17-L109 HydrophobicContact CD1-CG 4.2Å; Y81-L109 HydrophobicContact CD1-CD1 4.12Å; Y81-L109 HydrophobicContact CG-CD1 4.17Å; A87-L109 HydrophobicContact CB-CD1 4.1Å; A87-L109 HydrophobicContact CB-CD2 3.38Å; A87-L109 HydrophobicContact CB-CG 4.38Å; W105-L109 WeakPolarHBondContact O-CB 3.32Å; W105-L109 PolarHBondContact O-N 2.76Å; L106-L109 PolarHBondContact O-N 2.98Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.91Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.21Å; L109-H112 PolarHBondContact O-N 3.33Å; L109-A113 HydrophobicContact CD1-CB 3.96Å; L109-A113 HydrophobicContact CG-CB 4.27Å; L109-A113 WeakPolarHBondContact O-CB 3.18Å; L109-A113 PolarHBondContact O-N 2.95Å; L109-I117 HydrophobicContact CD1-CD1 3.93Å; L109-I117 HydrophobicContact CD2-CD1 4.31Å; L109-I117 HydrophobicContact CG-CD1 4.33Å; L109-I119 HydrophobicContact CD2-CD1 3.73Å; L109-I119 HydrophobicContact CD2-CG1 3.83Å; L109-I119 HydrophobicContact CD2-CG2 4.28Å
110	R	91.7	Very high	92.7	Very high	112 Å²	112	59.9 Å²	59.9	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-30.7	179.4	-74.7	178.2	172	166.6	0.1	113.1	L106 K107 H112 N146	L106-R110 WeakPolarHBondContact O-CG 3.12Å; L106-R110 PolarHBondContact O-N 3.34Å; K107-R110 PolarHBondContact O-N 3.23Å; R110-H112 VanDerWaalsContact C-N 3.29Å; R110-H112 PolarHBondContact O-N 2.99Å; R110-N146 PolarHBondContact NH2-O 2.84Å
111	D	90.3	Very high	92.8	Very high	105 Å²	105	54.6 Å²	54.6	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-72.3	-20.3	179	-70.3	-16.9	0	0	0	113.1	K107 E108 L109	K107-D111 WeakPolarHBondContact O-CB 3.36Å; K107-D111 PolarHBondContact O-N 2.7Å; E108-D111 PolarHBondContact O-N 2.86Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.21Å
112	H	88	Confident	93	Very high	94 Å²	94	53 Å²	53	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-128.7	-19.7	-169.8	-63.9	91.3	0	0	0	115.2	Y81 E108 L109 R110	Y81-H112 HydrophobicContact CD2-CB 3.77Å; E108-H112 PolarHBondContact O-N 2.85Å; E108-H112 PolarHBondContact O-ND1 3.39Å; L109-H112 PolarHBondContact O-N 3.33Å; R110-H112 VanDerWaalsContact C-N 3.29Å; R110-H112 PolarHBondContact O-N 2.99Å
113	A	89.2	Confident	93.1	Very high	12 Å²	12	53 Å²	53	10%	0.099	25%	0.254	C	S	.	.	S	Bend	trans	-90.5	171	176.3	0	0	0	0	0	111.6	L109 I117	L109-A113 HydrophobicContact CD1-CB 3.96Å; L109-A113 HydrophobicContact CG-CB 4.27Å; L109-A113 WeakPolarHBondContact O-CB 3.18Å; L109-A113 PolarHBondContact O-N 2.95Å; A113-I117 HydrophobicContact CB-CB 4.38Å; A113-I117 HydrophobicContact CB-CD1 3.74Å; A113-I117 HydrophobicContact CB-CG2 4.13Å
114	D	87.4	Confident	93.2	Very high	92 Å²	92	46.6 Å²	46.6	49%	0.492	23%	0.225	S	C	.	.			trans	-66.4	141.5	172.8	-68.6	-58.2	0	0	0	110.9	N116 I117	D114-N116 PolarHBondContact O-N 2.81Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.14Å; D114-I117 PolarHBondContact O-N 2.89Å
115	N	84.5	Confident	93.4	Very high	158 Å²	158	44.1 Å²	44.1	85%	0.845	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.2	-179.2	-71.8	-22.6	0	0	0	114.5
116	N	87.6	Confident	93.6	Very high	95 Å²	95	44.9 Å²	44.9	51%	0.508	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.7	-177.9	-65.2	-54.1	0	0	0	113.2	D114 V118 R179	D114-N116 PolarHBondContact O-N 2.81Å; N116-V118 PolarHBondContact O-N 2.84Å; N116-R179 PolarHBondContact ND2-NH1 2.96Å; N116-R179 VanDerWaalsContact ND2-NH1 3.1Å; N116-R179 PolarHBondContact ND2-NH2 3.03Å; N116-R179 PolarHBondContact OD1-NH2 2.58Å
117	I	94.5	Very high	93.8	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.103	23%	0.232	C	C	.	.			trans	-62.5	130.3	178.9	-169.5	167.1	0	0	0	110.5	A84 A87 L109 A113 D114 I119	A84-I117 HydrophobicContact CB-CD1 3.96Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; A87-I117 HydrophobicContact CB-CG1 4.5Å; L109-I117 HydrophobicContact CD1-CD1 3.93Å; L109-I117 HydrophobicContact CD2-CD1 4.31Å; L109-I117 HydrophobicContact CG-CD1 4.33Å; A113-I117 HydrophobicContact CB-CB 4.38Å; A113-I117 HydrophobicContact CB-CD1 3.74Å; A113-I117 HydrophobicContact CB-CG2 4.13Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.14Å; D114-I117 PolarHBondContact O-N 2.89Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å
118	V	96.6	Very high	93.9	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126	173.8	-179.6	0	0	0	0	108.8	V85 G86 A87 N116 I168 E171 I172 I175	V85-V118 PolarHBondContact O-N 2.97Å; G86-V118 CarbonylContact C-O 3.5Å; G86-V118 WeakPolarHBondContact CA-O 3.34Å; A87-V118 PolarHBondContact N-O 2.84Å; N116-V118 PolarHBondContact O-N 2.84Å; V118-I168 HydrophobicContact CG1-CG1 3.97Å; V118-E171 HydrophobicContact CG1-CB 4.1Å; V118-E171 HydrophobicContact CG1-CG 3.74Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.04Å; V118-E171 HydrophobicContact CG2-CG 4.46Å; V118-I172 HydrophobicContact CB-CG1 3.78Å; V118-I172 HydrophobicContact CG1-CG1 4.4Å; V118-I172 HydrophobicContact CG2-CB 4.49Å; V118-I172 HydrophobicContact CG2-CG1 3.69Å; V118-I175 HydrophobicContact CG2-CD1 3.49Å; V118-I175 VanDerWaalsContact CG2-CD1 3.49Å
119	I	97.8	Very high	94.1	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.2	-175.2	-50.8	170.4	0	0	0	109.4	A87 L89 L106 L109 I117 L148 S149	A87-I119 WeakPolarHBondContact O-CA 3.24Å; L89-I119 HydrophobicContact CB-CG2 4.38Å; L106-I119 HydrophobicContact CD1-CD1 3.73Å; L106-I119 HydrophobicContact CD1-CG2 4.36Å; L109-I119 HydrophobicContact CD2-CD1 3.73Å; L109-I119 HydrophobicContact CD2-CG1 3.83Å; L109-I119 HydrophobicContact CD2-CG2 4.28Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.78Å; I119-L148 HydrophobicContact CD1-CD2 4.24Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-S149 PolarHBondContact O-N 2.94Å; I119-S149 VanDerWaalsContact O-N 3.13Å
120	M	98.5	Very high	94.3	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.02	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.5	172.8	176.1	-178.1	-68	0	0	110.3	A87 L88 L89 V122 S149 I151 A164 N167 I168	A87-M120 PolarHBondContact O-N 3.37Å; L88-M120 WeakPolarHBondContact CA-O 3.28Å; L88-M120 HydrophobicContact CD2-CB 3.81Å; L88-M120 HydrophobicContact CD2-CG 3.95Å; L88-M120 HydrophobicContact CD2-SD 3.68Å; L89-M120 PolarHBondContact N-O 2.56Å; M120-V122 HydrophobicContact CG-CG2 4.14Å; M120-V122 HydrophobicContact SD-CG2 4.42Å; M120-S149 CarbonylContact C-O 3.35Å; M120-S149 VanDerWaalsContact CA-O 3.3Å; M120-S149 WeakPolarHBondContact CA-O 3.32Å; M120-I151 HydrophobicContact CG-CG2 4.3Å; M120-I151 HydrophobicContact SD-CG2 3.67Å; M120-A164 HydrophobicContact SD-CB 4.18Å; M120-N167 HydrophobicContact CE-CB 3.63Å; M120-I168 HydrophobicContact CB-CD1 4.18Å; M120-I168 HydrophobicContact CE-CB 3.97Å
121	L	98.7	Very high	94.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.1	169.5	-176.6	68.2	0	0	0	109.6	L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151	L89-L121 HydrophobicContact CD2-CD1 4.43Å; L89-L121 HydrophobicContact CG-CD1 4.13Å; L89-L121 CarbonylContact O-C 3.44Å; L89-L121 WeakPolarHBondContact O-CA 3.22Å; Y91-L121 HydrophobicContact CD1-CD1 3.78Å; Y91-L121 HydrophobicContact CD1-CG 4.2Å; Y91-L121 HydrophobicContact CE1-CD1 4Å; Y91-L121 HydrophobicContact CE1-CD2 4.15Å; Y91-L121 HydrophobicContact CE1-CG 3.91Å; V102-L121 HydrophobicContact CG1-CD1 3.59Å; V102-L121 HydrophobicContact CG2-CD1 4.1Å; L121-A139 HydrophobicContact CD2-CB 4.33Å; L121-F142 HydrophobicContact CD2-CD1 4.03Å; L121-A143 HydrophobicContact CB-CB 4.43Å; L121-A143 HydrophobicContact CD2-CB 4.12Å; L121-L148 HydrophobicContact CB-CD1 4.39Å; L121-S149 PolarHBondContact N-O 2.83Å; L121-F150 HydrophobicContact CB-CD2 4.06Å; L121-F150 HydrophobicContact CD2-CD2 3.85Å; L121-F150 HydrophobicContact CD2-CE2 4.24Å; L121-F150 HydrophobicContact CG-CD2 3.95Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.42Å; L121-F150 WeakPolarHBondContact O-CD2 3.11Å; L121-I151 PolarHBondContact O-N 3.24Å; L121-I151 VanDerWaalsContact O-N 3.1Å
122	V	98.8	Very high	94.9	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.9	-177.7	-177.3	0	0	0	0	110	L27 L88 L89 V90 Y91 M120 N124 I151 T153	L27-V122 HydrophobicContact CD1-CG1 4.2Å; L88-V122 HydrophobicContact CB-CG2 4.21Å; L88-V122 HydrophobicContact CD2-CG2 3.53Å; L88-V122 HydrophobicContact CG-CG2 4.41Å; L89-V122 PolarHBondContact O-N 3.22Å; V90-V122 WeakPolarHBondContact CA-O 3.33Å; V90-V122 HydrophobicContact CG1-CB 4.42Å; V90-V122 HydrophobicContact CG1-CG1 4.41Å; V90-V122 HydrophobicContact CG2-CB 4.21Å; Y91-V122 WeakPolarHBondContact CD1-O 3.47Å; Y91-V122 PolarHBondContact N-O 3.16Å; M120-V122 HydrophobicContact CG-CG2 4.14Å; M120-V122 HydrophobicContact SD-CG2 4.42Å; V122-N124 PolarHBondContact O-N 3.34Å; V122-I151 WeakPolarHBondContact CA-O 3.48Å; V122-I151 HydrophobicContact CG2-CG2 4.22Å; V122-T153 HydrophobicContact CG1-CG2 3.74Å; V122-T153 VanDerWaalsContact CG1-OG1 3.29Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.38Å
123	G	98.6	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	95.8	169.9	0	0	0	0	0	110.5	I151 E152 T153	G123-I151 PolarHBondContact N-O 2.87Å; G123-E152 CarbonylContact O-C 3.38Å; G123-E152 WeakPolarHBondContact O-CA 3.35Å; G123-T153 PolarHBondContact O-N 3.16Å
124	N	98.5	Very high	95.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	162.8	-176.5	-167.2	34.5	0	0	0	112.5	V22 L27 V90 Y91 I93 V122 T153 A155	V22-N124 PolarHBondContact O-ND2 2.93Å; L27-N124 HydrophobicContact CD1-CB 4.31Å; V90-N124 HydrophobicContact CG1-CB 3.79Å; Y91-N124 PolarHBondContact O-N 2.92Å; I93-N124 WeakPolarHBondContact CG1-O 3.09Å; I93-N124 PolarHBondContact N-O 3.4Å; V122-N124 PolarHBondContact O-N 3.34Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 VanDerWaalsContact CA-O 3.27Å; N124-T153 WeakPolarHBondContact CA-O 3.39Å; N124-T153 PolarHBondContact OD1-O 3.43Å; N124-T153 PolarHBondContact OD1-OG1 3.48Å; N124-T153 VanDerWaalsContact OD1-OG1 3.05Å; N124-A155 PolarHBondContact OD1-N 3.34Å
125	K	98	Very high	96.3	Very high	44 Å²	44	51.8 Å²	51.8	19%	0.191	26%	0.259	C	S	.	.			trans	71	39.3	-177.9	-44.7	-171.6	-165.7	169.8	0	113.8	G21 V22 D92 I93 D127 L128 T153	G21-K125 WeakPolarHBondContact O-CE 3.43Å; G21-K125 PolarHBondContact O-NZ 3.05Å; V22-K125 WeakPolarHBondContact O-CE 3.22Å; D92-K125 WeakPolarHBondContact OD2-CD 3.42Å; D92-K125 VanDerWaalsContact OD2-CE 3.3Å; D92-K125 WeakPolarHBondContact OD2-CE 3.44Å; D92-K125 IonicContact OD2-NZ 3.14Å; D92-K125 PolarHBondContact OD2-NZ 2.66Å; I93-K125 WeakPolarHBondContact CD1-O 3.4Å; I93-K125 WeakPolarHBondContact CG1-O 3.34Å; K125-D127 VanDerWaalsContact CA-OD1 3.31Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 2.92Å; K125-D127 VanDerWaalsContact O-N 3.09Å; K125-L128 HydrophobicContact CB-CD1 4.06Å; K125-L128 HydrophobicContact CB-CG 4.25Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.32Å; K125-L128 PolarHBondContact O-N 3.02Å; K125-T153 PolarHBondContact N-O 2.83Å
126	S	98	Very high	96.9	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.161	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.1	-21.4	176.1	61.1	0	0	0	0	114.1	L128 R129 T153 S154	S126-L128 PolarHBondContact O-N 3.05Å; S126-R129 PolarHBondContact O-N 3.33Å; S126-T153 PolarHBondContact N-O 3.28Å; S126-T153 VanDerWaalsContact OG-C 3.23Å; S126-T153 PolarHBondContact OG-O 2.78Å; S126-S154 WeakPolarHBondContact OG-CB 3.4Å; S126-S154 PolarHBondContact OG-N 2.83Å
127	D	97.6	Very high	97.4	Very high	41 Å²	41	46.6 Å²	46.6	22%	0.219	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.3	170.5	55.9	-76.6	0	0	0	112.9	K125 R129 S154 L156	K125-D127 VanDerWaalsContact CA-OD1 3.31Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 2.92Å; K125-D127 VanDerWaalsContact O-N 3.09Å; D127-R129 PolarHBondContact O-N 3.33Å; D127-R129 VanDerWaalsContact O-N 3.1Å; D127-S154 VanDerWaalsContact OD1-CB 3.24Å; D127-S154 WeakPolarHBondContact OD1-CB 3.48Å; D127-S154 PolarHBondContact OD1-OG 2.89Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.48Å
128	L	95.6	Very high	97.5	Very high	47 Å²	47	49.6 Å²	49.6	25%	0.246	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.8	33.1	176.7	-57.9	-177.8	0	0	0	113.1	A94 K125 S126 H130 L131 R132	A94-L128 HydrophobicContact CB-CB 4.21Å; A94-L128 HydrophobicContact CB-CD1 4.11Å; K125-L128 HydrophobicContact CB-CD1 4.06Å; K125-L128 HydrophobicContact CB-CG 4.25Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.32Å; K125-L128 PolarHBondContact O-N 3.02Å; S126-L128 PolarHBondContact O-N 3.05Å; L128-H130 PolarHBondContact O-N 3.17Å; L128-L131 CarbonylContact O-C 3.57Å; L128-L131 WeakPolarHBondContact O-CA 3.42Å; L128-L131 PolarHBondContact O-N 2.85Å; L128-R132 PolarHBondContact O-N 2.9Å
129	R	94.4	Very high	97.6	Very high	202 Å²	202	49.1 Å²	49.1	76%	0.762	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-50.2	-30.3	-179.1	66.3	-174.4	-178.6	-152.3	-0.5	115.1	S126 D127 L131 R132	S126-R129 PolarHBondContact O-N 3.33Å; D127-R129 PolarHBondContact O-N 3.33Å; D127-R129 VanDerWaalsContact O-N 3.1Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-R132 WeakPolarHBondContact O-CB 3.41Å; R129-R132 PolarHBondContact O-N 2.87Å
130	H	95.5	Very high	97.6	Very high	143 Å²	143	53.4 Å²	53.4	66%	0.662	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-78.1	-16.4	-179.8	59.5	-76.9	0	0	0	113.3	L128	L128-H130 PolarHBondContact O-N 3.17Å
131	L	96.8	Very high	97.6	Very high	100 Å²	100	55.8 Å²	55.8	52%	0.524	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-108.5	14.6	174.5	-59.2	176	0	0	0	111.7	A94 L128 R129 A133	A94-L131 WeakPolarHBondContact CA-O 3.4Å; A94-L131 HydrophobicContact CB-CB 4.06Å; A94-L131 WeakPolarHBondContact CB-O 3.44Å; L128-L131 CarbonylContact O-C 3.57Å; L128-L131 WeakPolarHBondContact O-CA 3.42Å; L128-L131 PolarHBondContact O-N 2.85Å; R129-L131 VanDerWaalsContact C-N 3.32Å; L131-A133 PolarHBondContact O-N 2.9Å; L131-A133 VanDerWaalsContact O-N 3.12Å
132	R	98	Very high	97.5	Very high	79 Å²	79	57.4 Å²	57.4	30%	0.298	29%	0.286	S	S	.	.			trans	-57.1	120	-176.6	178.6	179.6	-71.8	-90.2	7	110.2	L128 R129 V134 T136 E152	L128-R132 PolarHBondContact O-N 2.9Å; R129-R132 WeakPolarHBondContact O-CB 3.41Å; R129-R132 PolarHBondContact O-N 2.87Å; R132-V134 VanDerWaalsContact CD-O 3.29Å; R132-V134 WeakPolarHBondContact CD-O 3.14Å; R132-V134 WeakPolarHBondContact CG-O 3.29Å; R132-V134 PolarHBondContact NH1-O 3.31Å; R132-T136 PolarHBondContact NH1-OG1 3.15Å; R132-T136 PolarHBondContact NH2-OG1 2.83Å; R132-E152 IonicContact CZ-OE1 2.97Å; R132-E152 IonicContact CZ-OE2 2.73Å; R132-E152 IonicContact NH1-OE1 3.47Å; R132-E152 PolarHBondContact NH1-OE1 2.88Å; R132-E152 IonicContact NH1-OE2 3.6Å; R132-E152 IonicContact NH2-OE1 2.91Å; R132-E152 PolarHBondContact NH2-OE1 3.36Å; R132-E152 IonicContact NH2-OE2 3.68Å; R132-E152 PolarHBondContact NH2-OE2 3.43Å
133	A	97.8	Very high	97.5	Very high	41 Å²	41	57.4 Å²	57.4	34%	0.339	29%	0.286	S	S	.	.			trans	-102.1	-20.7	173.9	0	0	0	0	0	112	I93 H96 L131	I93-A133 PolarHBondContact O-N 2.87Å; H96-A133 HydrophobicContact CB-CB 4.16Å; L131-A133 PolarHBondContact O-N 2.9Å; L131-A133 VanDerWaalsContact O-N 3.12Å
134	V	97.9	Very high	97.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-115.1	111.2	-179.7	-173.7	0	0	0	0	109.7	Y91 I93 Y99 R132 A139	Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.92Å; Y91-V134 HydrophobicContact CE2-CG1 3.81Å; Y91-V134 HydrophobicContact CE2-CG2 4.06Å; I93-V134 PolarHBondContact O-N 3.14Å; I93-V134 VanDerWaalsContact O-N 3.09Å; Y99-V134 HydrophobicContact CD1-CG1 3.95Å; Y99-V134 HydrophobicContact CD1-CG2 4.3Å; Y99-V134 HydrophobicContact CD2-CG1 3.92Å; Y99-V134 HydrophobicContact CE1-CG1 4.24Å; Y99-V134 HydrophobicContact CE2-CG1 4.21Å; Y99-V134 HydrophobicContact CG-CG1 3.78Å; Y99-V134 HydrophobicContact CG-CG2 3.99Å; R132-V134 VanDerWaalsContact CD-O 3.29Å; R132-V134 WeakPolarHBondContact CD-O 3.14Å; R132-V134 WeakPolarHBondContact CG-O 3.29Å; R132-V134 PolarHBondContact NH1-O 3.31Å; V134-A139 HydrophobicContact CG1-CB 4.27Å
135	P	97.9	Very high	97.4	Very high	63 Å²	63	72.4 Å²	72.4	41%	0.409	35%	0.353	S	S	.	.			trans	-58.9	136.3	172.1	-22.6	33.2	0	0	0	112	D137 E138 A139	P135-D137 VanDerWaalsContact C-N 3.26Å; P135-D137 PolarHBondContact O-N 2.72Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.35Å; P135-E138 HydrophobicContact CG-CB 4.49Å; P135-E138 WeakPolarHBondContact O-CB 3.42Å; P135-E138 PolarHBondContact O-N 3.17Å; P135-A139 PolarHBondContact O-N 3.3Å
136	T	97.7	Very high	97.3	Very high	34 Å²	34	71.8 Å²	71.8	21%	0.209	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-39.1	179.5	-55.1	0	0	0	0	112.2	R132 E138 A139 R140 F150 E152	R132-T136 PolarHBondContact NH1-OG1 3.15Å; R132-T136 PolarHBondContact NH2-OG1 2.83Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.47Å; T136-A139 PolarHBondContact O-N 2.94Å; T136-R140 WeakPolarHBondContact O-CB 3.24Å; T136-R140 PolarHBondContact O-N 3.16Å; T136-F150 HydrophobicContact CG2-CE1 3.84Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; T136-E152 WeakPolarHBondContact CB-OE1 3.08Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.43Å; T136-E152 PolarHBondContact OG1-OE1 3.45Å
137	D	97.6	Very high	97.2	Very high	110 Å²	110	77 Å²	77	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-69.6	-31.2	-178.3	-61.9	-28.9	0	0	0	112.3	P135 R140 A141	P135-D137 VanDerWaalsContact C-N 3.26Å; P135-D137 PolarHBondContact O-N 2.72Å; D137-R140 IonicContact OD1-CZ 3.34Å; D137-R140 IonicContact OD1-NH1 3.62Å; D137-R140 PolarHBondContact OD1-NH1 2.85Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 3.42Å
138	E	97.5	Very high	97.2	Very high	83 Å²	83	75.8 Å²	75.8	39%	0.388	38%	0.376	S	S	.	.	H	α-helix	trans	-66	-49.6	174.3	-174	-175.4	163.6	0	0	110.9	Y99 P135 T136 R140 A141 F142	Y99-E138 HydrophobicContact CE1-CG 4.26Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.31Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.45Å; Y99-E138 PolarHBondContact OH-O 3.34Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.35Å; P135-E138 HydrophobicContact CG-CB 4.49Å; P135-E138 WeakPolarHBondContact O-CB 3.42Å; P135-E138 PolarHBondContact O-N 3.17Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.47Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.44Å; E138-A141 PolarHBondContact O-N 3.26Å; E138-F142 PolarHBondContact O-N 2.97Å
139	A	97.8	Very high	97.3	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-36.1	177.8	0	0	0	0	0	112.4	Y91 Y99 L121 V134 P135 T136 F142 A143 F150	Y91-A139 HydrophobicContact CE1-CB 4.28Å; Y91-A139 WeakPolarHBondContact OH-CB 3.4Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; L121-A139 HydrophobicContact CD2-CB 4.33Å; V134-A139 HydrophobicContact CG1-CB 4.27Å; P135-A139 PolarHBondContact O-N 3.3Å; T136-A139 PolarHBondContact O-N 2.94Å; A139-F142 PolarHBondContact O-N 2.92Å; A139-A143 WeakPolarHBondContact O-CB 3.36Å; A139-A143 PolarHBondContact O-N 3.39Å; A139-F150 HydrophobicContact CB-CE2 3.8Å; A139-F150 HydrophobicContact CB-CZ 3.76Å
140	R	98.1	Very high	97.5	Very high	104 Å²	104	67.9 Å²	67.9	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-47	173.7	-171.9	-177.2	-62.3	123.7	4.3	111.2	T136 D137 E138 F142 A143 E144 F150	T136-R140 WeakPolarHBondContact O-CB 3.24Å; T136-R140 PolarHBondContact O-N 3.16Å; D137-R140 IonicContact OD1-CZ 3.34Å; D137-R140 IonicContact OD1-NH1 3.62Å; D137-R140 PolarHBondContact OD1-NH1 2.85Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.44Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 2.88Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 3.46Å; R140-A143 VanDerWaalsContact O-N 3.14Å; R140-E144 WeakPolarHBondContact O-CG 3.39Å; R140-E144 PolarHBondContact O-N 3.17Å; R140-F150 HydrophobicContact CB-CD1 3.9Å; R140-F150 HydrophobicContact CB-CE1 4.07Å; R140-F150 HydrophobicContact CG-CD1 4.22Å
141	A	98.2	Very high	97.6	Very high	53 Å²	53	61.9 Å²	61.9	44%	0.438	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-38.9	177.4	0	0	0	0	0	111.9	D137 E138 K145	D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 3.42Å; E138-A141 PolarHBondContact O-N 3.26Å; A141-K145 VanDerWaalsContact O-CB 3.28Å; A141-K145 WeakPolarHBondContact O-CB 3.42Å; A141-K145 PolarHBondContact O-N 3.44Å
142	F	98.2	Very high	97.7	Very high	35 Å²	35	58.5 Å²	58.5	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-43.8	173.2	177.2	-85.2	0	0	0	112.2	Y99 V102 E103 L106 L121 E138 A139 R140 K145 N146 L148	Y99-F142 VanDerWaalsContact OH-CB 3.24Å; Y99-F142 WeakPolarHBondContact OH-CB 3.27Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 VanDerWaalsContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.82Å; E103-F142 HydrophobicContact CB-CE2 4.46Å; E103-F142 HydrophobicContact CB-CZ 4.48Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L121-F142 HydrophobicContact CD2-CD1 4.03Å; E138-F142 PolarHBondContact O-N 2.97Å; A139-F142 PolarHBondContact O-N 2.92Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 2.88Å; F142-K145 PolarHBondContact O-N 3.1Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.34Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.31Å; F142-N146 WeakPolarHBondContact O-CB 3.43Å; F142-N146 PolarHBondContact O-N 3.09Å; F142-N146 VanDerWaalsContact O-N 3.12Å; F142-N146 PolarHBondContact O-ND2 2.98Å; F142-L148 HydrophobicContact CD1-CD1 4.42Å; F142-L148 HydrophobicContact CE1-CD1 3.99Å
143	A	97.9	Very high	97.7	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-47.2	178.4	0	0	0	0	0	111.5	L121 A139 R140 K145 N146 T147 L148 F150	L121-A143 HydrophobicContact CB-CB 4.43Å; L121-A143 HydrophobicContact CD2-CB 4.12Å; A139-A143 WeakPolarHBondContact O-CB 3.36Å; A139-A143 PolarHBondContact O-N 3.39Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 3.46Å; R140-A143 VanDerWaalsContact O-N 3.14Å; A143-K145 PolarHBondContact O-N 2.9Å; A143-N146 CarbonylContact O-C 3.59Å; A143-N146 PolarHBondContact O-N 3.03Å; A143-T147 PolarHBondContact O-N 2.95Å; A143-L148 HydrophobicContact CB-CB 4.12Å; A143-L148 PolarHBondContact O-N 2.84Å; A143-F150 HydrophobicContact CB-CB 3.68Å; A143-F150 HydrophobicContact CB-CG 4.35Å
144	E	97.4	Very high	97.7	Very high	137 Å²	137	52.8 Å²	52.8	64%	0.64	27%	0.274	S	S	*	.	H	α-helix	trans	-59.3	-47.2	176.2	-72.3	174	-170.6	0	0	111.8	R140 N146 T147	R140-E144 WeakPolarHBondContact O-CG 3.39Å; R140-E144 PolarHBondContact O-N 3.17Å; E144-N146 PolarHBondContact O-N 3.38Å; E144-T147 PolarHBondContact O-N 3.02Å
145	K	97.6	Very high	97.7	Very high	180 Å²	180	52.9 Å²	52.9	78%	0.783	28%	0.275	S	S	*	.	H	α-helix	trans	-58.6	-32.6	177.8	-179	-178	175.7	-172.2	0	112.9	A141 F142 A143	A141-K145 VanDerWaalsContact O-CB 3.28Å; A141-K145 WeakPolarHBondContact O-CB 3.42Å; A141-K145 PolarHBondContact O-N 3.44Å; F142-K145 PolarHBondContact O-N 3.1Å; A143-K145 PolarHBondContact O-N 2.9Å
146	N	96.3	Very high	97.6	Very high	32 Å²	32	53.7 Å²	53.7	17%	0.171	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.2	-177	-73.5	-77.7	0	0	0	113.7	L106 R110 F142 A143 E144 L148	L106-N146 HydrophobicContact CD2-CB 3.97Å; R110-N146 PolarHBondContact NH2-O 2.84Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.34Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.31Å; F142-N146 WeakPolarHBondContact O-CB 3.43Å; F142-N146 PolarHBondContact O-N 3.09Å; F142-N146 VanDerWaalsContact O-N 3.12Å; F142-N146 PolarHBondContact O-ND2 2.98Å; A143-N146 CarbonylContact O-C 3.59Å; A143-N146 PolarHBondContact O-N 3.03Å; E144-N146 PolarHBondContact O-N 3.38Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.14Å
147	T	95.6	Very high	97.4	Very high	131 Å²	131	55.8 Å²	55.8	80%	0.804	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	49	-176.7	-39.5	0	0	0	0	112.3	A143 E144	A143-T147 PolarHBondContact O-N 2.95Å; E144-T147 PolarHBondContact O-N 3.02Å
148	L	97	Very high	97.4	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.084	28%	0.277	C	S	.	.			trans	-111.9	143.3	177.3	-41.1	177	0	0	0	109.4	L106 I119 L121 F142 A143 N146	L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.94Å; L106-L148 HydrophobicContact CD2-CD1 4.19Å; I119-L148 HydrophobicContact CB-CD2 3.78Å; I119-L148 HydrophobicContact CD1-CD2 4.24Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; L121-L148 HydrophobicContact CB-CD1 4.39Å; F142-L148 HydrophobicContact CD1-CD1 4.42Å; F142-L148 HydrophobicContact CE1-CD1 3.99Å; A143-L148 HydrophobicContact CB-CB 4.12Å; A143-L148 PolarHBondContact O-N 2.84Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.14Å
149	S	97.4	Very high	97.4	Very high	37 Å²	37	52.2 Å²	52.2	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	150.2	163.4	-72.2	0	0	0	0	109.4	I119 M120 L121 E171	I119-S149 PolarHBondContact O-N 2.94Å; I119-S149 VanDerWaalsContact O-N 3.13Å; M120-S149 CarbonylContact C-O 3.35Å; M120-S149 VanDerWaalsContact CA-O 3.3Å; M120-S149 WeakPolarHBondContact CA-O 3.32Å; L121-S149 PolarHBondContact N-O 2.83Å; S149-E171 PolarHBondContact OG-OE2 3.42Å
150	F	98.5	Very high	97.4	Very high	47 Å²	47	55.1 Å²	55.1	21%	0.206	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.9	-178.6	174.6	-117.2	0	0	0	112.4	Y91 L121 T136 A139 R140 A143 E152	Y91-F150 HydrophobicContact CE1-CE2 4.26Å; L121-F150 HydrophobicContact CB-CD2 4.06Å; L121-F150 HydrophobicContact CD2-CD2 3.85Å; L121-F150 HydrophobicContact CD2-CE2 4.24Å; L121-F150 HydrophobicContact CG-CD2 3.95Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.42Å; L121-F150 WeakPolarHBondContact O-CD2 3.11Å; T136-F150 HydrophobicContact CG2-CE1 3.84Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; A139-F150 HydrophobicContact CB-CE2 3.8Å; A139-F150 HydrophobicContact CB-CZ 3.76Å; R140-F150 HydrophobicContact CB-CD1 3.9Å; R140-F150 HydrophobicContact CB-CE1 4.07Å; R140-F150 HydrophobicContact CG-CD1 4.22Å; A143-F150 HydrophobicContact CB-CB 3.68Å; A143-F150 HydrophobicContact CB-CG 4.35Å; F150-E152 HydrophobicContact CE1-CG 4.32Å; F150-E152 HydrophobicContact CE2-CG 4.26Å; F150-E152 HydrophobicContact CZ-CG 3.63Å
151	I	98.6	Very high	97.4	Very high	16 Å²	16	50.3 Å²	50.3	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.8	172.7	-163.9	165	0	0	0	110.5	M120 L121 V122 G123 T153 N160 E163 A164	M120-I151 HydrophobicContact CG-CG2 4.3Å; M120-I151 HydrophobicContact SD-CG2 3.67Å; L121-I151 PolarHBondContact O-N 3.24Å; L121-I151 VanDerWaalsContact O-N 3.1Å; V122-I151 WeakPolarHBondContact CA-O 3.48Å; V122-I151 HydrophobicContact CG2-CG2 4.22Å; G123-I151 PolarHBondContact N-O 2.87Å; I151-T153 HydrophobicContact CG2-CG2 4.14Å; I151-N160 HydrophobicContact CD1-CB 3.81Å; I151-N160 HydrophobicContact CG1-CB 4.04Å; I151-E163 HydrophobicContact CD1-CB 4.15Å; I151-E163 HydrophobicContact CD1-CG 3.91Å; I151-A164 HydrophobicContact CD1-CB 4.38Å; I151-A164 HydrophobicContact CG2-CB 3.7Å
152	E	98.6	Very high	97.4	Very high	29 Å²	29	50.7 Å²	50.7	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139	167.8	-66.7	-171.7	170.1	0	0	110.1	G123 R132 T136 F150 N160	G123-E152 CarbonylContact O-C 3.38Å; G123-E152 WeakPolarHBondContact O-CA 3.35Å; R132-E152 IonicContact CZ-OE1 2.97Å; R132-E152 IonicContact CZ-OE2 2.73Å; R132-E152 IonicContact NH1-OE1 3.47Å; R132-E152 PolarHBondContact NH1-OE1 2.88Å; R132-E152 IonicContact NH1-OE2 3.6Å; R132-E152 IonicContact NH2-OE1 2.91Å; R132-E152 PolarHBondContact NH2-OE1 3.36Å; R132-E152 IonicContact NH2-OE2 3.68Å; R132-E152 PolarHBondContact NH2-OE2 3.43Å; T136-E152 WeakPolarHBondContact CB-OE1 3.08Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.43Å; T136-E152 PolarHBondContact OG1-OE1 3.45Å; F150-E152 HydrophobicContact CE1-CG 4.32Å; F150-E152 HydrophobicContact CE2-CG 4.26Å; F150-E152 HydrophobicContact CZ-CG 3.63Å; E152-N160 VanDerWaalsContact O-CB 3.23Å; E152-N160 WeakPolarHBondContact O-CB 3.49Å; E152-N160 PolarHBondContact O-ND2 3.26Å
153	T	98.6	Very high	97.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.7	-174.9	63	0	0	0	0	111.7	V122 G123 N124 K125 S126 I151 T159 N160 A164	V122-T153 HydrophobicContact CG1-CG2 3.74Å; V122-T153 VanDerWaalsContact CG1-OG1 3.29Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.38Å; G123-T153 PolarHBondContact O-N 3.16Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 VanDerWaalsContact CA-O 3.27Å; N124-T153 WeakPolarHBondContact CA-O 3.39Å; N124-T153 PolarHBondContact OD1-O 3.43Å; N124-T153 PolarHBondContact OD1-OG1 3.48Å; N124-T153 VanDerWaalsContact OD1-OG1 3.05Å; K125-T153 PolarHBondContact N-O 2.83Å; S126-T153 PolarHBondContact N-O 3.28Å; S126-T153 VanDerWaalsContact OG-C 3.23Å; S126-T153 PolarHBondContact OG-O 2.78Å; I151-T153 HydrophobicContact CG2-CG2 4.14Å; T153-T159 CarbonylContact C-O 3.6Å; T153-T159 VanDerWaalsContact CA-O 3.3Å; T153-T159 WeakPolarHBondContact CA-O 3.44Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; T153-A164 HydrophobicContact CG2-CB 3.97Å
154	S	98.2	Very high	97.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.			trans	-130.3	116.2	160.4	172	0	0	0	0	110.1	S126 D127 L156 D157 S158 T159 V161	S126-S154 WeakPolarHBondContact OG-CB 3.4Å; S126-S154 PolarHBondContact OG-N 2.83Å; D127-S154 VanDerWaalsContact OD1-CB 3.24Å; D127-S154 WeakPolarHBondContact OD1-CB 3.48Å; D127-S154 PolarHBondContact OD1-OG 2.89Å; S154-L156 PolarHBondContact O-N 2.79Å; S154-L156 WeakPolarHBondContact OG-CB 3.31Å; S154-L156 PolarHBondContact OG-N 3.11Å; S154-L156 VanDerWaalsContact OG-N 3.16Å; S154-D157 WeakPolarHBondContact CB-OD1 3.11Å; S154-D157 PolarHBondContact OG-N 2.83Å; S154-D157 PolarHBondContact OG-OD1 2.88Å; S154-S158 CarbonylContact O-C 3.58Å; S154-S158 WeakPolarHBondContact O-CA 3.49Å; S154-S158 PolarHBondContact O-N 3.31Å; S154-T159 PolarHBondContact N-O 3.24Å; S154-T159 PolarHBondContact O-N 3.03Å; S154-V161 WeakPolarHBondContact O-CG2 3.33Å
155	A	96.8	Very high	97.4	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.025	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.5	169.6	0	0	0	0	0	112.4	N26 L27 R30 F36 N124	N26-A155 HydrophobicContact CB-CB 3.82Å; L27-A155 HydrophobicContact CD2-CB 4.02Å; L27-A155 HydrophobicContact CG-CB 4.26Å; R30-A155 PolarHBondContact NE-O 2.9Å; R30-A155 PolarHBondContact NH2-O 2.88Å; F36-A155 HydrophobicContact CD2-CB 4.11Å; F36-A155 WeakPolarHBondContact CD2-O 3.26Å; F36-A155 HydrophobicContact CE2-CB 4.27Å; N124-A155 PolarHBondContact OD1-N 3.34Å
156	L	95.5	Very high	97.3	Very high	79 Å²	79	42.9 Å²	42.9	41%	0.414	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-57	-179.4	176.5	66.7	0	0	0	110.7	R30 F36 D127 S154	R30-L156 PolarHBondContact NH2-O 3.48Å; F36-L156 HydrophobicContact CD1-CD1 3.81Å; F36-L156 HydrophobicContact CE1-CD1 3.35Å; F36-L156 HydrophobicContact CE2-CB 4.12Å; F36-L156 HydrophobicContact CE2-CD1 4.38Å; F36-L156 HydrophobicContact CZ-CB 4.11Å; F36-L156 HydrophobicContact CZ-CD1 3.67Å; F36-L156 HydrophobicContact CZ-CG 4.5Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.48Å; S154-L156 PolarHBondContact O-N 2.79Å; S154-L156 WeakPolarHBondContact OG-CB 3.31Å; S154-L156 PolarHBondContact OG-N 3.11Å; S154-L156 VanDerWaalsContact OG-N 3.16Å
157	D	95	Very high	97.4	Very high	78 Å²	78	44.7 Å²	44.7	42%	0.417	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.5	-176.2	70.1	21.1	0	0	0	113.9	S154 T159	S154-D157 WeakPolarHBondContact CB-OD1 3.11Å; S154-D157 PolarHBondContact OG-N 2.83Å; S154-D157 PolarHBondContact OG-OD1 2.88Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.27Å; D157-T159 PolarHBondContact O-N 2.93Å; D157-T159 WeakPolarHBondContact OD1-CB 3.48Å; D157-T159 PolarHBondContact OD1-N 2.97Å; D157-T159 PolarHBondContact OD1-OG1 3.09Å; D157-T159 PolarHBondContact OD2-OG1 3.4Å
158	S	96.2	Very high	97.5	Very high	61 Å²	61	38.4 Å²	38.4	43%	0.427	20%	0.203	S	C	.	.			trans	71.4	4.1	-178.5	74.1	0	0	0	0	116.6	S154 N160 V161	S154-S158 CarbonylContact O-C 3.58Å; S154-S158 WeakPolarHBondContact O-CA 3.49Å; S154-S158 PolarHBondContact O-N 3.31Å; S158-N160 PolarHBondContact O-N 2.98Å; S158-V161 PolarHBondContact O-N 2.82Å
159	T	98.3	Very high	97.5	Very high	57 Å²	57	37.7 Å²	37.7	35%	0.35	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	124.3	178.9	-62	0	0	0	0	111.1	T153 S154 D157 V161	T153-T159 CarbonylContact C-O 3.6Å; T153-T159 VanDerWaalsContact CA-O 3.3Å; T153-T159 WeakPolarHBondContact CA-O 3.44Å; S154-T159 PolarHBondContact N-O 3.24Å; S154-T159 PolarHBondContact O-N 3.03Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.27Å; D157-T159 PolarHBondContact O-N 2.93Å; D157-T159 WeakPolarHBondContact OD1-CB 3.48Å; D157-T159 PolarHBondContact OD1-N 2.97Å; D157-T159 PolarHBondContact OD1-OG1 3.09Å; D157-T159 PolarHBondContact OD2-OG1 3.4Å; T159-V161 PolarHBondContact O-N 2.98Å
160	N	98.1	Very high	97.4	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.332	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	8.1	175.5	-60.7	-13.1	0	0	0	116.3	I151 E152 T153 S158 E163 A164	I151-N160 HydrophobicContact CD1-CB 3.81Å; I151-N160 HydrophobicContact CG1-CB 4.04Å; E152-N160 VanDerWaalsContact O-CB 3.23Å; E152-N160 WeakPolarHBondContact O-CB 3.49Å; E152-N160 PolarHBondContact O-ND2 3.26Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; S158-N160 PolarHBondContact O-N 2.98Å; N160-E163 PolarHBondContact O-N 2.82Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 2.99Å
161	V	98	Very high	97.3	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-51.3	-179.4	178.8	0	0	0	0	110.5	L27 R30 F31 S154 S158 T159 E163 A164 F165	L27-V161 HydrophobicContact CD2-CG1 4.16Å; L27-V161 HydrophobicContact CD2-CG2 3.75Å; R30-V161 HydrophobicContact CB-CG1 4.11Å; R30-V161 HydrophobicContact CG-CB 4.13Å; R30-V161 HydrophobicContact CG-CG1 3.86Å; R30-V161 HydrophobicContact CG-CG2 4.05Å; F31-V161 HydrophobicContact CB-CG1 4.14Å; S154-V161 WeakPolarHBondContact O-CG2 3.33Å; S158-V161 PolarHBondContact O-N 2.82Å; T159-V161 PolarHBondContact O-N 2.98Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.36Å; V161-A164 PolarHBondContact O-N 3.1Å; V161-F165 HydrophobicContact CG1-CD2 4.32Å; V161-F165 HydrophobicContact CG1-CE2 4.23Å; V161-F165 WeakPolarHBondContact O-CD2 3.33Å; V161-F165 PolarHBondContact O-N 3.44Å
162	E	96.9	Very high	97.2	Very high	61 Å²	61	37.5 Å²	37.5	29%	0.285	20%	0.196	S	C	.	.	H	α-helix	trans	-58.7	-41	176.5	-174.1	73.4	179.2	0	0	111.5	R51 K166	R51-E162 IonicContact CZ-OE1 2.66Å; R51-E162 IonicContact CZ-OE2 3.8Å; R51-E162 IonicContact NH1-OE1 3.19Å; R51-E162 IonicContact NH1-OE2 2.7Å; R51-E162 PolarHBondContact NH1-OE2 2.85Å; R51-E162 IonicContact NH2-OE1 3.28Å; R51-E162 PolarHBondContact NH2-OE1 3.31Å; R51-E162 IonicContact NH2-OE2 2.79Å; R51-E162 PolarHBondContact NH2-OE2 3.12Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 WeakPolarHBondContact O-CB 3.42Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 2.99Å; E162-K166 WeakPolarHBondContact OE1-CE 3.5Å; E162-K166 IonicContact OE1-NZ 3.08Å; E162-K166 PolarHBondContact OE1-NZ 2.82Å; E162-K166 VanDerWaalsContact OE1-NZ 3.08Å
163	E	97.9	Very high	97	Very high	96 Å²	96	37.4 Å²	37.4	45%	0.449	20%	0.195	S	C	.	.	H	α-helix	trans	-66.9	-42.9	-178.5	-173.3	173.9	176.5	0	0	111.9	I151 N160 V161 F165 K166 N167	I151-E163 HydrophobicContact CD1-CB 4.15Å; I151-E163 HydrophobicContact CD1-CG 3.91Å; N160-E163 PolarHBondContact O-N 2.82Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.36Å; E163-F165 PolarHBondContact O-N 2.9Å; E163-K166 PolarHBondContact O-N 3.4Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 VanDerWaalsContact O-CB 3.22Å; E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.22Å; E163-N167 PolarHBondContact O-OD1 3.33Å
164	A	98.2	Very high	96.8	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-56.8	-49.6	177.7	0	0	0	0	0	111.8	M120 I151 T153 N160 V161 N167 I168	M120-A164 HydrophobicContact SD-CB 4.18Å; I151-A164 HydrophobicContact CD1-CB 4.38Å; I151-A164 HydrophobicContact CG2-CB 3.7Å; T153-A164 HydrophobicContact CG2-CB 3.97Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 3.1Å; A164-N167 PolarHBondContact O-N 3.07Å; A164-I168 WeakPolarHBondContact O-CG2 3.44Å; A164-I168 PolarHBondContact O-N 3.43Å; A164-I168 VanDerWaalsContact O-N 3.17Å
165	F	97.7	Very high	96.4	Very high	2 Å²	2	47 Å²	47	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-39.9	178.6	-76	-81.7	0	0	0	112.5	L16 F31 I64 L88 V161 E163 I168 L169	L16-F165 HydrophobicContact CD2-CE1 4.09Å; L16-F165 HydrophobicContact CD2-CZ 4.06Å; F31-F165 HydrophobicContact CB-CD2 3.59Å; F31-F165 HydrophobicContact CB-CE2 3.51Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.16Å; F31-F165 HydrophobicContact CD1-CB 4.26Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.28Å; F31-F165 AromaticContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.62Å; F31-F165 AromaticContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CD2 3.47Å; F31-F165 VanDerWaalsContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CE2 4.29Å; F31-F165 AromaticContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CE1-CB 3.99Å; F31-F165 HydrophobicContact CE1-CD1 4.05Å; F31-F165 AromaticContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE2-CB 3.31Å; F31-F165 HydrophobicContact CE2-CD2 4.12Å; F31-F165 AromaticContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CG-CB 4.1Å; F31-F165 HydrophobicContact CG-CD1 4.22Å; F31-F165 AromaticContact CG-CD2 3.38Å; F31-F165 HydrophobicContact CG-CD2 3.38Å; F31-F165 AromaticContact CG-CE2 3.78Å; F31-F165 HydrophobicContact CG-CE2 3.78Å; F31-F165 AromaticContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CZ 4.34Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.44Å; F31-F165 AromaticContact CZ-CG 3.98Å; F31-F165 HydrophobicContact CZ-CG 3.98Å; I64-F165 HydrophobicContact CD1-CD1 3.85Å; I64-F165 HydrophobicContact CD1-CE1 3.64Å; I64-F165 HydrophobicContact CD1-CZ 4.48Å; I64-F165 HydrophobicContact CG1-CE1 4.29Å; I64-F165 HydrophobicContact CG2-CE1 4.01Å; L88-F165 HydrophobicContact CD1-CD1 3.73Å; L88-F165 HydrophobicContact CD1-CE1 3.32Å; L88-F165 HydrophobicContact CD1-CE2 4.18Å; L88-F165 HydrophobicContact CD1-CG 4.31Å; L88-F165 HydrophobicContact CD1-CZ 3.58Å; V161-F165 HydrophobicContact CG1-CD2 4.32Å; V161-F165 HydrophobicContact CG1-CE2 4.23Å; V161-F165 WeakPolarHBondContact O-CD2 3.33Å; V161-F165 PolarHBondContact O-N 3.44Å; E163-F165 PolarHBondContact O-N 2.9Å; F165-I168 WeakPolarHBondContact O-CG2 3.5Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 WeakPolarHBondContact O-CD1 3.42Å; F165-L169 WeakPolarHBondContact O-CG 3.5Å; F165-L169 PolarHBondContact O-N 3.32Å; F165-L169 VanDerWaalsContact O-N 3.07Å
166	K	96.8	Very high	96.1	Very high	88 Å²	88	48.7 Å²	48.7	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-42.7	175.5	-79.7	-179.9	177.9	162.9	0	112.1	I53 E162 E163 L169 T170	I53-K166 HydrophobicContact CD1-CG 4.23Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 WeakPolarHBondContact O-CB 3.42Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 2.99Å; E162-K166 WeakPolarHBondContact OE1-CE 3.5Å; E162-K166 IonicContact OE1-NZ 3.08Å; E162-K166 PolarHBondContact OE1-NZ 2.82Å; E162-K166 VanDerWaalsContact OE1-NZ 3.08Å; E163-K166 PolarHBondContact O-N 3.4Å; K166-L169 PolarHBondContact O-N 2.9Å; K166-T170 VanDerWaalsContact O-CB 3.22Å; K166-T170 WeakPolarHBondContact O-CB 3.49Å; K166-T170 PolarHBondContact O-N 2.73Å; K166-T170 PolarHBondContact O-OG1 2.93Å
167	N	97.4	Very high	95.8	Very high	69 Å²	69	45.9 Å²	45.9	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-49.8	-178.2	-74	-3	0	0	0	110.8	M120 E163 A164 L169 T170 E171	M120-N167 HydrophobicContact CE-CB 3.63Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 VanDerWaalsContact O-CB 3.22Å; E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.22Å; E163-N167 PolarHBondContact O-OD1 3.33Å; A164-N167 PolarHBondContact O-N 3.07Å; N167-L169 PolarHBondContact O-N 3.39Å; N167-T170 PolarHBondContact O-N 3.17Å; N167-E171 WeakPolarHBondContact O-CB 2.97Å; N167-E171 PolarHBondContact O-N 2.92Å
168	I	97.3	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-41.2	178.7	-165.2	174.9	0	0	0	111.9	V14 A87 L88 V118 M120 A164 F165 T170 E171 I172	V14-I168 HydrophobicContact CG1-CD1 4.46Å; A87-I168 WeakPolarHBondContact O-CD1 3.29Å; L88-I168 HydrophobicContact CD2-CD1 4.1Å; L88-I168 HydrophobicContact CD2-CG2 4.37Å; L88-I168 HydrophobicContact CG-CD1 4.19Å; V118-I168 HydrophobicContact CG1-CG1 3.97Å; M120-I168 HydrophobicContact CB-CD1 4.18Å; M120-I168 HydrophobicContact CE-CB 3.97Å; A164-I168 WeakPolarHBondContact O-CG2 3.44Å; A164-I168 PolarHBondContact O-N 3.43Å; A164-I168 VanDerWaalsContact O-N 3.17Å; F165-I168 WeakPolarHBondContact O-CG2 3.5Å; I168-T170 VanDerWaalsContact C-N 3.35Å; I168-T170 PolarHBondContact O-N 2.92Å; I168-E171 PolarHBondContact O-N 3.49Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.48Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 3.37Å
169	L	97.1	Very high	94.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-36.7	178.9	-69.5	168.9	0	0	0	112.1	F12 V14 I53 I60 A62 F165 K166 N167 Y173	F12-L169 HydrophobicContact CB-CD2 4.04Å; F12-L169 HydrophobicContact CD2-CD2 3.99Å; V14-L169 HydrophobicContact CG2-CD2 3.96Å; I53-L169 HydrophobicContact CD1-CB 3.79Å; I53-L169 HydrophobicContact CD1-CD1 3.43Å; I53-L169 VanDerWaalsContact CD1-CD1 3.43Å; I53-L169 HydrophobicContact CD1-CG 4.25Å; I53-L169 HydrophobicContact CG1-CD1 3.99Å; I60-L169 HydrophobicContact CG2-CD2 4.38Å; A62-L169 HydrophobicContact CB-CD1 3.77Å; A62-L169 HydrophobicContact CB-CD2 3.83Å; A62-L169 HydrophobicContact CB-CG 4.48Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 WeakPolarHBondContact O-CD1 3.42Å; F165-L169 WeakPolarHBondContact O-CG 3.5Å; F165-L169 PolarHBondContact O-N 3.32Å; F165-L169 VanDerWaalsContact O-N 3.07Å; K166-L169 PolarHBondContact O-N 2.9Å; N167-L169 PolarHBondContact O-N 3.39Å; L169-Y173 VanDerWaalsContact O-CB 3.3Å; L169-Y173 WeakPolarHBondContact O-CB 3.44Å; L169-Y173 PolarHBondContact O-N 2.84Å
170	T	96.3	Very high	93.6	Very high	27 Å²	27	51.7 Å²	51.7	17%	0.166	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-40	174.9	-57.7	0	0	0	0	111.1	V55 K166 N167 I168 Y173 R174	V55-T170 HydrophobicContact CG1-CG2 3.94Å; K166-T170 VanDerWaalsContact O-CB 3.22Å; K166-T170 WeakPolarHBondContact O-CB 3.49Å; K166-T170 PolarHBondContact O-N 2.73Å; K166-T170 PolarHBondContact O-OG1 2.93Å; N167-T170 PolarHBondContact O-N 3.17Å; I168-T170 VanDerWaalsContact C-N 3.35Å; I168-T170 PolarHBondContact O-N 2.92Å; T170-Y173 WeakPolarHBondContact O-CB 3.23Å; T170-Y173 PolarHBondContact O-N 3.34Å; T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.03Å
171	E	95.6	Very high	92.5	Very high	65 Å²	65	54.4 Å²	54.4	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-47.3	176.3	-171.6	176.2	172.7	0	0	111.4	V118 S149 N167 I168 Y173 R174 I175	V118-E171 HydrophobicContact CG1-CB 4.1Å; V118-E171 HydrophobicContact CG1-CG 3.74Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.04Å; V118-E171 HydrophobicContact CG2-CG 4.46Å; S149-E171 PolarHBondContact OG-OE2 3.42Å; N167-E171 WeakPolarHBondContact O-CB 2.97Å; N167-E171 PolarHBondContact O-N 2.92Å; I168-E171 PolarHBondContact O-N 3.49Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.84Å; E171-R174 PolarHBondContact O-N 2.9Å; E171-I175 HydrophobicContact CG-CD1 4.46Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.48Å; E171-I175 VanDerWaalsContact O-N 3.14Å
172	I	95.8	Very high	91.4	Very high	3 Å²	3	57 Å²	57	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-57.8	-46.9	172.9	-63.4	157	0	0	0	110.3	F12 V14 V85 V118 I168 R174 I175 V176	F12-I172 HydrophobicContact CD1-CG2 3.89Å; F12-I172 HydrophobicContact CD2-CB 4.12Å; F12-I172 HydrophobicContact CD2-CG2 3.71Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.08Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.85Å; F12-I172 HydrophobicContact CZ-CG2 3.79Å; V14-I172 HydrophobicContact CG2-CD1 4.17Å; V85-I172 HydrophobicContact CB-CG2 4.08Å; V85-I172 HydrophobicContact CG2-CD1 4.22Å; V85-I172 HydrophobicContact CG2-CG2 3.83Å; V118-I172 HydrophobicContact CB-CG1 3.78Å; V118-I172 HydrophobicContact CG1-CG1 4.4Å; V118-I172 HydrophobicContact CG2-CB 4.49Å; V118-I172 HydrophobicContact CG2-CG1 3.69Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.48Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 3.37Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.76Å; I172-I175 PolarHBondContact O-N 2.67Å; I172-V176 HydrophobicContact CG2-CG2 4.03Å; I172-V176 WeakPolarHBondContact O-CB 3.2Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.44Å; I172-V176 PolarHBondContact O-N 2.7Å
173	Y	95.5	Very high	90.2	Very high	28 Å²	28	59 Å²	59	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-57.2	-44.5	179	170.9	-109.7	0	0	0	112.2	Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177	Y10-Y173 HydrophobicContact CD2-CD2 4.05Å; Y10-Y173 HydrophobicContact CD2-CE2 4.04Å; Y10-Y173 AromaticContact CE2-CD2 3.89Å; Y10-Y173 HydrophobicContact CE2-CD2 3.89Å; Y10-Y173 AromaticContact CE2-CE2 3.46Å; Y10-Y173 HydrophobicContact CE2-CE2 3.46Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.46Å; Y10-Y173 AromaticContact CZ-CE2 3.79Å; V55-Y173 HydrophobicContact CG1-CD1 3.72Å; V55-Y173 HydrophobicContact CG1-CE1 4.25Å; V55-Y173 HydrophobicContact CG1-CG 4.28Å; D56-Y173 HydrophobicContact CB-CE1 3.96Å; K58-Y173 HydrophobicContact CB-CE2 4.32Å; K58-Y173 HydrophobicContact CG-CE2 4.14Å; I60-Y173 HydrophobicContact CD1-CD2 4.24Å; I60-Y173 HydrophobicContact CD1-CG 4.1Å; L169-Y173 VanDerWaalsContact O-CB 3.3Å; L169-Y173 WeakPolarHBondContact O-CB 3.44Å; L169-Y173 PolarHBondContact O-N 2.84Å; T170-Y173 WeakPolarHBondContact O-CB 3.23Å; T170-Y173 PolarHBondContact O-N 3.34Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.84Å; Y173-I175 PolarHBondContact O-N 3.47Å; Y173-V176 PolarHBondContact O-N 2.84Å; Y173-S177 WeakPolarHBondContact O-CB 3.26Å; Y173-S177 PolarHBondContact O-N 3.41Å; Y173-S177 PolarHBondContact O-OG 3.44Å
174	R	93.4	Very high	88.8	Confident	145 Å²	145	63.3 Å²	63.3	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-43.6	177.6	-74	174.1	-179.7	174.7	2.1	111.9	T170 E171 I172 S177 Q178	T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.03Å; E171-R174 PolarHBondContact O-N 2.9Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.76Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-OG 3.25Å; R174-S177 VanDerWaalsContact O-OG 3.11Å; R174-Q178 WeakPolarHBondContact O-CB 3.41Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3.42Å; R174-Q178 VanDerWaalsContact O-N 3.14Å
175	I	91.4	Very high	87.2	Confident	55 Å²	55	66.4 Å²	66.4	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-66.8	-44.8	179.1	-65.5	167.5	0	0	0	110.9	V118 E171 I172 Y173 R179	V118-I175 HydrophobicContact CG2-CD1 3.49Å; V118-I175 VanDerWaalsContact CG2-CD1 3.49Å; E171-I175 HydrophobicContact CG-CD1 4.46Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.48Å; E171-I175 VanDerWaalsContact O-N 3.14Å; I172-I175 PolarHBondContact O-N 2.67Å; Y173-I175 PolarHBondContact O-N 3.47Å; I175-R179 WeakPolarHBondContact O-CG 3.36Å; I175-R179 PolarHBondContact O-N 2.95Å
176	V	89.7	Confident	85.4	Confident	39 Å²	39	69.6 Å²	69.6	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-70.5	-42.1	-177.9	174.3	0	0	0	0	111.6	Y10 F12 I172 Y173 R179 Q180	Y10-V176 HydrophobicContact CD1-CG1 4.25Å; Y10-V176 HydrophobicContact CE1-CG1 4.07Å; F12-V176 HydrophobicContact CE1-CB 4.48Å; F12-V176 HydrophobicContact CE1-CG1 4.46Å; F12-V176 HydrophobicContact CE1-CG2 4.19Å; F12-V176 HydrophobicContact CZ-CB 4.45Å; F12-V176 HydrophobicContact CZ-CG2 4.43Å; I172-V176 HydrophobicContact CG2-CG2 4.03Å; I172-V176 WeakPolarHBondContact O-CB 3.2Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.44Å; I172-V176 PolarHBondContact O-N 2.7Å; Y173-V176 PolarHBondContact O-N 2.84Å; V176-R179 PolarHBondContact O-N 3.19Å; V176-Q180 WeakPolarHBondContact O-CG 3.49Å; V176-Q180 PolarHBondContact O-N 3.45Å
177	S	88.6	Confident	83.6	Confident	20 Å²	20	72.6 Å²	72.6	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-40.6	178.8	57.1	0	0	0	0	112.2	Y173 R174 R179 Q180 I181	Y173-S177 WeakPolarHBondContact O-CB 3.26Å; Y173-S177 PolarHBondContact O-N 3.41Å; Y173-S177 PolarHBondContact O-OG 3.44Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-OG 3.25Å; R174-S177 VanDerWaalsContact O-OG 3.11Å; S177-R179 PolarHBondContact O-N 2.95Å; S177-Q180 PolarHBondContact O-N 3.19Å; S177-I181 WeakPolarHBondContact O-CG1 3.45Å; S177-I181 PolarHBondContact O-N 3.27Å; S177-I181 VanDerWaalsContact O-N 3.11Å
178	Q	85	Confident	81.7	Confident	130 Å²	130	76.4 Å²	76.4	61%	0.607	38%	0.381	S	S	*	.	H	α-helix	trans	-61.7	-42.3	174.5	-74.1	173.4	10	0	0	112	R174 I181 S182	R174-Q178 WeakPolarHBondContact O-CB 3.41Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3.42Å; R174-Q178 VanDerWaalsContact O-N 3.14Å; Q178-I181 PolarHBondContact O-N 2.93Å; Q178-S182 PolarHBondContact O-N 3.14Å; Q178-S182 PolarHBondContact O-OG 3.27Å
179	R	81.9	Confident	79.4	Confident	108 Å²	108	83.2 Å²	83.2	41%	0.408	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-41	176.2	-72.5	176.3	-176	-163.4	-3	112.7	N116 I175 V176 S177 I181 S182 D183	N116-R179 PolarHBondContact ND2-NH1 2.96Å; N116-R179 VanDerWaalsContact ND2-NH1 3.1Å; N116-R179 PolarHBondContact ND2-NH2 3.03Å; N116-R179 PolarHBondContact OD1-NH2 2.58Å; I175-R179 WeakPolarHBondContact O-CG 3.36Å; I175-R179 PolarHBondContact O-N 2.95Å; V176-R179 PolarHBondContact O-N 3.19Å; S177-R179 PolarHBondContact O-N 2.95Å; R179-I181 VanDerWaalsContact C-N 3.28Å; R179-I181 PolarHBondContact O-N 3.32Å; R179-S182 WeakPolarHBondContact CA-OG 3.37Å; R179-S182 PolarHBondContact O-N 2.84Å; R179-S182 PolarHBondContact O-OG 3.09Å; R179-D183 WeakPolarHBondContact O-CB 3.49Å; R179-D183 PolarHBondContact O-N 3.18Å
180	Q	77.6	Confident	77.1	Confident	81 Å²	81	86.7 Å²	86.7	38%	0.379	44%	0.442	S	S	.	.	H	α-helix	trans	-64.9	-33	176.7	-74.9	-172	-15.4	0	0	112.7	Y10 V176 S177 R184	Y10-Q180 PolarHBondContact OH-OE1 2.83Å; V176-Q180 WeakPolarHBondContact O-CG 3.49Å; V176-Q180 PolarHBondContact O-N 3.45Å; S177-Q180 PolarHBondContact O-N 3.19Å; Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.23Å; Q180-R184 PolarHBondContact O-N 2.9Å
181	I	74.3	Confident	74.8	Confident	118 Å²	118	91.2 Å²	91.2	61%	0.605	47%	0.472	S	S	*	.	H	α-helix	trans	-69.2	-45.7	175.2	-65.8	163.1	0	0	0	110.1	S177 Q178 R179 D183 R184 S185	S177-I181 WeakPolarHBondContact O-CG1 3.45Å; S177-I181 PolarHBondContact O-N 3.27Å; S177-I181 VanDerWaalsContact O-N 3.11Å; Q178-I181 PolarHBondContact O-N 2.93Å; R179-I181 VanDerWaalsContact C-N 3.28Å; R179-I181 PolarHBondContact O-N 3.32Å; I181-D183 PolarHBondContact O-N 2.92Å; I181-R184 PolarHBondContact O-N 3.44Å; I181-S185 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-OG 2.79Å; I181-S185 VanDerWaalsContact O-OG 3.13Å
182	S	74.2	Confident	72.3	Confident	57 Å²	57	91 Å²	91	40%	0.399	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-41.2	179	57	0	0	0	0	112.9	Q178 R179 R184 S185 A186	Q178-S182 PolarHBondContact O-N 3.14Å; Q178-S182 PolarHBondContact O-OG 3.27Å; R179-S182 WeakPolarHBondContact CA-OG 3.37Å; R179-S182 PolarHBondContact O-N 2.84Å; R179-S182 PolarHBondContact O-OG 3.09Å; S182-R184 VanDerWaalsContact C-N 3.34Å; S182-R184 PolarHBondContact O-N 3.26Å; S182-S185 WeakPolarHBondContact CA-OG 3.32Å; S182-S185 PolarHBondContact O-N 3.14Å; S182-S185 PolarHBondContact O-OG 3.02Å; S182-A186 PolarHBondContact O-N 3.01Å
183	D	71.6	Confident	70.1	Confident	103 Å²	103	98.1 Å²	98.1	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-67.7	-35.6	178.7	-73.4	-13.3	0	0	0	111.8	R179 I181 A186 H187	R179-D183 WeakPolarHBondContact O-CB 3.49Å; R179-D183 PolarHBondContact O-N 3.18Å; I181-D183 PolarHBondContact O-N 2.92Å; D183-A186 PolarHBondContact O-N 3.36Å; D183-H187 PolarHBondContact O-N 3.09Å
184	R	68.8	Low	68	Low	187 Å²	187	104 Å²	104	71%	0.706	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-43.7	173.4	-77.9	177.1	179.4	-174.8	1.2	112	Q180 I181 S182 A186 H187 D188	Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.23Å; Q180-R184 PolarHBondContact O-N 2.9Å; I181-R184 PolarHBondContact O-N 3.44Å; S182-R184 VanDerWaalsContact C-N 3.34Å; S182-R184 PolarHBondContact O-N 3.26Å; R184-A186 VanDerWaalsContact C-N 3.3Å; R184-A186 PolarHBondContact O-N 3.3Å; R184-H187 PolarHBondContact O-N 3.19Å; R184-D188 PolarHBondContact O-N 2.77Å
185	S	65.4	Low	66	Low	69 Å²	69	102 Å²	102	48%	0.483	56%	0.562	S	S	.	*	H	α-helix	trans	-64.2	-34.3	175.4	45.8	0	0	0	0	112.9	I181 S182 D188 D189	I181-S185 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-OG 2.79Å; I181-S185 VanDerWaalsContact O-OG 3.13Å; S182-S185 WeakPolarHBondContact CA-OG 3.32Å; S182-S185 PolarHBondContact O-N 3.14Å; S182-S185 PolarHBondContact O-OG 3.02Å; S185-D188 PolarHBondContact O-N 2.64Å; S185-D189 PolarHBondContact O-N 2.75Å
186	A	60.3	Low	64.2	Low	69 Å²	69	105 Å²	105	57%	0.57	58%	0.583	S	S	*	*	H	α-helix	trans	-71.4	-30	175.8	0	0	0	0	0	112.8	S182 D183 R184	S182-A186 PolarHBondContact O-N 3.01Å; D183-A186 PolarHBondContact O-N 3.36Å; R184-A186 VanDerWaalsContact C-N 3.3Å; R184-A186 PolarHBondContact O-N 3.3Å
187	H	58.2	Low	61.9	Low	150 Å²	150	110.1 Å²	110.1	69%	0.694	61%	0.609	S	S	*	*	H	α-helix	trans	-76.1	-33.1	174.7	-107.4	-61	0	0	0	113.2	D183 R184 D189 S190	D183-H187 PolarHBondContact O-N 3.09Å; R184-H187 PolarHBondContact O-N 3.19Å; H187-D189 VanDerWaalsContact C-N 3.29Å; H187-D189 PolarHBondContact O-N 3.39Å; H187-S190 PolarHBondContact O-N 3.2Å; H187-S190 PolarHBondContact O-OG 3.13Å; H187-S190 VanDerWaalsContact O-OG 3.11Å
188	D	56.8	Low	60.1	Low	149 Å²	149	116.1 Å²	116.1	80%	0.797	64%	0.638	S	S	*	*	H	α-helix	trans	-74.6	-18.3	178.2	-136.4	13.9	0	0	0	112.8	R184 S185 S190	R184-D188 PolarHBondContact O-N 2.77Å; S185-D188 PolarHBondContact O-N 2.64Å; D188-S190 VanDerWaalsContact C-N 3.33Å
189	D	51	Low	58.3	Low	143 Å²	143	115.1 Å²	115.1	77%	0.765	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	15.8	175.7	-119.6	-7.4	0	0	0	113.5	S185 H187 P191	S185-D189 PolarHBondContact O-N 2.75Å; H187-D189 VanDerWaalsContact C-N 3.29Å; H187-D189 PolarHBondContact O-N 3.39Å; D189-P191 VanDerWaalsContact O-CD 3.32Å; D189-P191 WeakPolarHBondContact O-CD 3.32Å
190	S	47.3	Very low	56.8	Low	75 Å²	75	115.7 Å²	115.7	52%	0.524	66%	0.661	S	S	.	*	S	Bend	trans	-65.2	117.5	167.4	-63	0	0	0	0	108.3	H187 D188 G192	H187-S190 PolarHBondContact O-N 3.2Å; H187-S190 PolarHBondContact O-OG 3.13Å; H187-S190 VanDerWaalsContact O-OG 3.11Å; D188-S190 VanDerWaalsContact C-N 3.33Å; S190-G192 PolarHBondContact O-N 3.23Å
191	P	47.8	Very low	55.5	Low	121 Å²	121	116.8 Å²	116.8	79%	0.786	68%	0.675	S	S	*	*			trans	-60.9	119.8	176.9	25	-31.2	0	0	0	107.3	D189 N193	D189-P191 VanDerWaalsContact O-CD 3.32Å; D189-P191 WeakPolarHBondContact O-CD 3.32Å; P191-N193 PolarHBondContact O-N 2.91Å; P191-N193 VanDerWaalsContact O-N 3.14Å
192	G	44.6	Very low	53.9	Low	62 Å²	62	117 Å²	117	64%	0.639	68%	0.684	S	S	*	*			trans	-43.6	125.5	170.9	0	0	0	0	0	108.6	S190 N194	S190-G192 PolarHBondContact O-N 3.23Å; G192-N194 PolarHBondContact O-N 3.21Å
193	N	48.8	Very low	52.9	Low	151 Å²	151	121 Å²	121	81%	0.807	71%	0.706	S	S	*	*			trans	-62.9	81	-178.7	-148.4	26.2	0	0	0	108.1	P191 V195	P191-N193 PolarHBondContact O-N 2.91Å; P191-N193 VanDerWaalsContact O-N 3.14Å; N193-V195 PolarHBondContact O-N 3.31Å
194	N	52.3	Low	51.7	Low	153 Å²	153	124.6 Å²	124.6	82%	0.818	72%	0.722	S	S	*	*			trans	-72.1	71.5	168.5	-85.2	-24.1	0	0	0	107.2	G192 V196	G192-N194 PolarHBondContact O-N 3.21Å; N194-V196 VanDerWaalsContact C-N 3.28Å; N194-V196 PolarHBondContact O-N 3.41Å
195	V	50.6	Low	50.6	Low	101 Å²	101	124 Å²	124	61%	0.612	73%	0.733	S	S	*	*			trans	-70.1	96.1	161.6	-176.5	0	0	0	0	105.3	N193 D197	N193-V195 PolarHBondContact O-N 3.31Å; V195-D197 PolarHBondContact O-N 3.01Å
196	V	52.9	Low	49.3	Very low	119 Å²	119	124.1 Å²	124.1	72%	0.721	75%	0.745	S	S	*	*			trans	-72.4	110.8	163.8	-176.6	0	0	0	0	105.7	N194 I198	N194-V196 VanDerWaalsContact C-N 3.28Å; N194-V196 PolarHBondContact O-N 3.41Å; V196-I198 PolarHBondContact O-N 3.05Å
197	D	42.6	Very low	48.5	Very low	146 Å²	146	128.5 Å²	128.5	78%	0.781	75%	0.753	S	S	*	*			trans	-59.4	106.3	171	-98.1	-37.2	0	0	0	108.9	V195 S199	V195-D197 PolarHBondContact O-N 3.01Å; D197-S199 VanDerWaalsContact C-N 3.34Å; D197-S199 PolarHBondContact O-N 3.28Å; D197-S199 VanDerWaalsContact O-N 3.09Å
198	I	50.8	Low	47.7	Very low	146 Å²	146	132.3 Å²	132.3	75%	0.749	76%	0.762	S	S	*	*			trans	-79.6	90.9	170	-57.8	176.7	0	0	0	106.6	V196 V200	V196-I198 PolarHBondContact O-N 3.05Å; I198-V200 HydrophobicContact CG2-CG2 4.07Å; I198-V200 PolarHBondContact O-N 3.19Å; I198-V200 VanDerWaalsContact O-N 3.12Å
199	S	45.8	Very low	46.7	Very low	110 Å²	110	128.7 Å²	128.7	77%	0.769	76%	0.759	S	S	*	*			trans	-72.3	100	168.5	59.3	0	0	0	0	109.2	D197 P201	D197-S199 VanDerWaalsContact C-N 3.34Å; D197-S199 PolarHBondContact O-N 3.28Å; D197-S199 VanDerWaalsContact O-N 3.09Å; S199-P201 WeakPolarHBondContact O-CD 3.48Å
200	V	51	Low	46	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-78.3	117.8	171.8	-170.1	0	0	0	0	108.1	I198	I198-V200 HydrophobicContact CG2-CG2 4.07Å; I198-V200 PolarHBondContact O-N 3.19Å; I198-V200 VanDerWaalsContact O-N 3.12Å
201	P	49.6	Very low	46	Very low	104 Å²	104	135.6 Å²	135.6	68%	0.675	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.9	141.1	174	26.3	-30.9	0	0	0	110.1	S199 T203	S199-P201 WeakPolarHBondContact O-CD 3.48Å; P201-T203 PolarHBondContact O-N 3.03Å
202	P	41.3	Very low	46.1	Very low	123 Å²	123	138.1 Å²	138.1	80%	0.799	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64	132	179.9	25.6	-33.2	0	0	0	110.7	M204	P202-M204 PolarHBondContact O-N 3.22Å
203	T	53.9	Low	46.4	Very low	141 Å²	141	141 Å²	141	87%	0.865	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-60.8	120	175.4	-32	0	0	0	0	109.3	P201 D205	P201-T203 PolarHBondContact O-N 3.03Å; T203-D205 PolarHBondContact O-N 3.06Å
204	M	46.5	Very low	45.8	Very low	179 Å²	179	139.9 Å²	139.9	88%	0.882	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.8	175.3	-65.4	-164	77.6	0	0	110.6	P202	P202-M204 PolarHBondContact O-N 3.22Å
205	D	44.7	Very low	45.9	Very low	174 Å²	174	139 Å²	139	93%	0.93	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57	133.9	172	-90.3	-48.4	0	0	0	112.2	T203	T203-D205 PolarHBondContact O-N 3.06Å
206	G	39.1	Very low	45.8	Very low	71 Å²	71	143.1 Å²	143.1	73%	0.732	81%	0.814	S	S	*	*			trans	-167.7	55.4	-177	0	0	0	0	0	116
207	Q	42	Very low	45.2	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.752	82%	0.817	S	S	*	*			trans	48	127.7	149.3	-84.3	-169.1	22	0	0	123.6
208	R	41.2	Very low	45.4	Very low	230 Å²	230	147.5 Å²	147.5	87%	0.868	84%	0.841	S	S	*	*			trans	85.1	116.1	140.1	-69	174.2	-168.2	-150.3	-2.8	119.3
209	G	36.3	Very low	45.1	Very low	73 Å²	73	147.6 Å²	147.6	75%	0.753	85%	0.846	S	S	*	*			trans	160.7	96.5	148.6	0	0	0	0	0	116.5
210	N	37.8	Very low	45.1	Very low	165 Å²	165	149.6 Å²	149.6	88%	0.882	85%	0.85	S	S	*	*			trans	65.8	105.4	152.7	-74.4	-7.6	0	0	0	122.6
211	K	45.3	Very low	44.8	Very low	199 Å²	199	151.3 Å²	151.3	87%	0.865	86%	0.857	S	S	*	*			trans	-11.7	130.7	142.5	-63.9	177.3	175	-178.6	0	117.1
212	L	51.5	Low	44.5	Very low	174 Å²	174	154.1 Å²	154.1	91%	0.911	87%	0.867	S	S	*	*			trans	-156.3	149.2	130.3	-90.7	131.3	0	0	0	109.6
213	P	49.7	Very low	44.7	Very low	122 Å²	122	156 Å²	156	79%	0.792	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-95.1	146.3	-160.1	8.9	10.7	0	0	0	114.7
214	C	36.6	Very low	44.1	Very low	127 Å²	127	157 Å²	157	86%	0.858	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-66.8	141	168.7	-75.4	0	0	0	0	113
215	C	54.3	Low	43.9	Very low	135 Å²	135	155.4 Å²	155.4	91%	0.912	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-93.7	132.1	159.3	-77.9	0	0	0	0	110.4
216	Q	48.1	Very low	43.8	Very low	187 Å²	187	154 Å²	154	87%	0.874	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-78.6	155.4	178.3	-73.1	171.8	-29.5	0	0	112
217	S	40.9	Very low	44.2	Very low	112 Å²	112	160.9 Å²	160.9	78%	0.783	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-56.7	149.4	169.2	53.3	0	0	0	0	114.2
218	L	47.1	Very low	44.4	Very low	246 Å²	246	160.9 Å²	160.9	100%	1.288	89%	0.89	S	S	*	*			trans	-138.3	0	130.6	-100	160.9	0	0	0	108.1

Retrieved 218 of 218 residues in 121.6 ms (Link to these results)

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